#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhm n TYR -26 N 0.00 0.00 -3.20 0.66 4.02 -1.26 -4.85 117.16 112.53 3hhm n TYR -26 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 3hhm n TYR -26 Cb 0.00 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.21 3hhm n TYR -26 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hhm s TYR -25 N -0.11 3.39 0.00 -0.72 1.51 -1.26 -4.84 117.35 115.32 3hhm s TYR -25 Ca 0.00 1.15 -0.01 0.00 -1.01 0.00 0.00 57.07 57.19 3hhm s TYR -25 Cb 0.00 -2.48 -0.06 0.00 -0.11 0.00 0.00 41.96 39.31 3hhm s TYR -25 CO 0.00 0.13 1.27 0.72 -1.11 0.00 0.00 175.55 176.57 3hhm n HIS -24 N -0.30 0.00 -1.75 2.71 8.25 -1.26 -4.32 115.22 118.55 3hhm n HIS -24 Ca 0.03 -0.42 -0.15 0.00 -0.26 0.00 0.00 57.72 56.92 3hhm n HIS -24 Cb 0.53 -0.67 -0.04 0.00 1.12 0.00 0.00 29.99 30.92 3hhm n HIS -24 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hhm n HIS -23 N 2.63 -0.62 -2.74 4.41 -0.00 -1.26 -4.58 115.22 113.06 3hhm n HIS -23 Ca 0.10 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.39 3hhm n HIS -23 Cb 0.25 -2.87 -0.03 0.00 -0.00 0.00 0.00 29.99 27.34 3hhm n HIS -23 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3hhm s HIS -22 N -2.41 2.82 0.13 4.41 5.65 -1.26 -5.01 115.29 119.62 3hhm s HIS -22 Ca 0.00 0.39 -0.30 0.00 0.25 0.00 0.00 55.06 55.40 3hhm s HIS -22 Cb 0.00 -4.18 -0.06 0.00 -1.18 0.00 0.00 32.58 27.15 3hhm s HIS -22 CO 0.00 -1.26 1.08 -1.01 -0.65 0.00 0.00 174.74 172.90 3hhm s HIS -21 N 4.14 3.61 -0.63 3.88 0.09 -1.26 -4.97 115.29 120.15 3hhm s HIS -21 Ca 0.39 1.59 -0.16 0.00 -0.00 0.00 0.00 55.06 56.89 3hhm s HIS -21 Cb -0.09 -3.25 0.15 0.00 -0.00 0.00 0.00 32.58 29.39 3hhm s HIS -21 CO 0.26 -0.52 0.59 -1.01 -0.00 0.00 0.00 174.74 174.06 3hhm s HIS -20 N 0.16 3.37 0.27 1.40 3.76 -0.40 -4.87 115.29 118.97 3hhm s HIS -20 Ca 0.51 -1.46 -0.03 0.00 -0.15 0.00 0.00 55.06 53.92 3hhm s HIS -20 Cb -0.27 -3.82 0.34 0.00 1.11 0.00 0.00 32.58 29.94 3hhm s HIS -20 CO 0.32 -1.03 1.85 0.45 -0.85 0.00 0.00 174.74 175.48 3hhm h HIS -19 N 8.61 1.00 -1.19 1.40 3.86 -1.89 -3.35 115.15 123.58 3hhm h HIS -19 Ca -0.18 -0.06 -0.50 0.00 -1.16 0.00 0.00 60.37 58.47 3hhm h HIS -19 Cb 1.08 -0.31 -0.08 0.00 1.06 0.00 0.00 27.41 29.17 3hhm h HIS -19 CO 0.82 0.76 1.22 0.34 0.86 0.00 0.00 177.93 181.93 3hhm s ASP -18 N -6.45 5.99 0.00 2.45 2.15 -1.26 -5.02 116.67 114.53 3hhm s ASP -18 Ca -0.11 -1.00 0.00 0.00 0.43 0.00 0.00 52.55 51.87 3hhm s ASP -18 Cb 0.16 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 3hhm s ASP -18 CO 0.81 -1.96 0.00 0.00 -0.17 0.00 0.00 175.17 173.85 3hhm n TYR -17 N 10.65 0.00 -0.42 -5.34 9.36 -1.26 -5.09 117.16 125.06 3hhm n TYR -17 Ca 0.31 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.34 3hhm n TYR -17 Cb 0.50 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 3hhm n TYR -17 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hhm n PRO 5 N 0.00 0.00 -1.01 2.98 -0.04 -1.26 -5.14 135.00 130.53 3hhm n PRO 5 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3hhm n PRO 5 Cb 0.00 -0.45 0.07 0.00 -0.04 0.00 0.00 33.50 33.07 3hhm n PRO 5 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hhm n SER 6 N 1.98 -3.69 0.00 3.54 3.41 -1.26 -5.04 113.62 112.56 3hhm n SER 6 Ca 0.15 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 3hhm n SER 6 Cb -0.01 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3hhm n SER 6 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hhm n SER 7 N 1.21 0.41 0.00 4.04 3.41 -1.26 -5.12 113.62 116.31 3hhm n SER 7 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3hhm n SER 7 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3hhm n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hhm n GLY 8 N 5.00 0.62 1.63 5.00 0.00 -1.26 -4.97 105.19 111.21 3hhm n GLY 8 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3hhm n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hhm n GLU 9 N 0.10 -0.36 -1.29 1.61 2.13 -1.26 -4.49 120.64 117.09 3hhm n GLU 9 Ca 0.00 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.29 3hhm n GLU 9 Cb 0.00 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.28 3hhm n GLU 9 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hhm n LEU 10 N 1.29 -2.02 -4.70 4.31 4.32 -1.21 -4.35 117.00 114.63 3hhm n LEU 10 Ca 0.00 2.49 -0.42 0.00 -0.02 0.00 0.00 56.01 58.06 3hhm n LEU 10 Cb 0.13 -2.25 -0.03 0.00 -1.62 0.00 0.00 43.42 39.65 3hhm n LEU 10 CO 0.00 0.36 1.05 0.86 -1.22 0.00 0.00 177.39 178.43 3hhm s TRP 11 N -3.17 3.12 0.00 -1.77 -0.11 -1.12 -2.83 118.94 113.06 3hhm s TRP 11 Ca 0.00 0.98 0.00 0.00 1.22 0.00 0.00 56.10 58.30 3hhm s TRP 11 Cb 0.00 -3.61 0.00 0.00 -1.50 0.00 0.00 33.47 28.36 3hhm s TRP 11 CO 0.00 -2.15 0.00 0.41 -4.62 0.00 0.00 176.95 170.59 3hhm n GLY 12 N 3.50 0.86 2.86 5.86 0.00 -1.26 -5.01 105.19 111.99 3hhm n GLY 12 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 3hhm n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhm s ILE 13 N -3.39 0.34 -0.06 -0.61 1.09 -1.13 -5.05 121.20 112.39 3hhm s ILE 13 Ca 0.00 -0.02 -0.26 0.00 -1.10 0.00 0.00 60.65 59.27 3hhm s ILE 13 Cb 0.00 -0.39 -0.21 0.00 -1.06 0.00 0.00 42.46 40.79 3hhm s ILE 13 CO 0.00 0.17 1.07 0.45 -0.10 0.00 0.00 174.94 176.53 3hhm h HIS 14 N 7.15 -0.03 -3.12 3.97 3.86 -1.79 -3.39 115.15 121.80 3hhm h HIS 14 Ca -0.40 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.20 3hhm h HIS 14 Cb 1.14 0.01 -0.36 0.00 1.06 0.00 0.00 27.41 29.26 3hhm h HIS 14 CO 0.50 0.60 -0.83 -1.17 0.86 0.00 0.00 177.93 177.88 3hhm s LEU 15 N -8.91 1.74 0.09 2.43 2.96 -1.26 -4.13 118.68 111.59 3hhm s LEU 15 Ca -0.16 -0.51 -0.27 0.00 -0.22 0.00 0.00 54.13 52.96 3hhm s LEU 15 Cb 0.00 -1.20 -0.06 0.00 0.50 0.00 0.00 46.19 45.43 3hhm s LEU 15 CO 0.65 -0.06 0.85 0.00 -1.32 0.00 0.00 176.35 176.47 3hhm s MET 16 N 1.47 4.59 0.65 1.98 0.23 -1.26 -4.99 119.30 121.96 3hhm s MET 16 Ca 0.05 1.23 -0.17 0.00 -1.03 0.00 0.00 55.69 55.77 3hhm s MET 16 Cb -0.13 -3.36 -0.05 0.00 -1.53 0.00 0.00 34.83 29.76 3hhm s MET 16 CO -0.11 0.29 0.64 -2.30 -2.03 0.00 0.00 175.02 171.51 3hhm n PRO 17 N 2.65 0.49 -0.33 3.16 -0.02 -1.26 -4.85 135.00 134.85 3hhm n PRO 17 Ca -0.01 0.21 0.19 0.00 -2.02 0.00 0.00 63.50 61.86 3hhm n PRO 17 Cb 0.50 -1.88 0.39 0.00 -0.02 0.00 0.00 33.50 32.49 3hhm n PRO 17 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hhm h PRO 18 N -0.00 0.40 -6.05 0.52 0.13 -1.95 -3.38 132.00 121.66 3hhm h PRO 18 Ca -0.46 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 3hhm h PRO 18 Cb 1.37 -0.09 -0.25 0.00 0.13 0.00 0.00 31.00 32.15 3hhm h PRO 18 CO 0.46 0.26 -0.79 1.03 -0.23 0.00 0.00 178.00 178.73 3hhm s ARG 19 N -5.77 2.71 0.03 0.86 0.52 -1.26 -0.88 118.95 115.16 3hhm s ARG 19 Ca -0.11 -0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 54.35 3hhm s ARG 19 Cb 0.28 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 3hhm s ARG 19 CO 0.79 0.49 0.01 0.96 0.02 0.00 0.00 175.30 177.56 3hhm s ILE 20 N -0.39 0.15 -0.04 1.52 -4.36 -0.02 -4.95 121.20 113.10 3hhm s ILE 20 Ca 0.04 -1.24 -0.26 0.00 -0.26 0.00 0.00 60.65 58.94 3hhm s ILE 20 Cb -0.12 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.73 3hhm s ILE 20 CO 0.02 -0.68 0.79 -0.76 0.24 0.00 0.00 174.94 174.55 3hhm s LEU 21 N -2.09 4.34 -0.08 0.37 1.43 -1.26 -0.66 118.68 120.71 3hhm s LEU 21 Ca -0.06 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 3hhm s LEU 21 Cb -0.02 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.96 3hhm s LEU 21 CO -0.05 -0.16 -0.19 0.54 0.23 0.00 0.00 176.35 176.72 3hhm s VAL 22 N 0.86 1.67 0.03 -1.59 0.11 -0.53 -4.84 120.40 116.11 3hhm s VAL 22 Ca 0.42 -0.80 -0.28 0.00 -2.93 0.00 0.00 61.98 58.40 3hhm s VAL 22 Cb -0.19 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 3hhm s VAL 22 CO 0.21 0.47 0.90 -1.61 -3.33 0.00 0.00 175.10 171.74 3hhm s GLU 23 N 0.46 4.57 -0.23 1.54 2.02 -0.86 -0.99 118.70 125.21 3hhm s GLU 23 Ca -0.17 1.29 -0.02 0.00 0.02 0.00 0.00 54.97 56.09 3hhm s GLU 23 Cb -0.17 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.65 3hhm s GLU 23 CO 0.07 0.10 -0.07 0.00 0.02 0.00 0.00 175.26 175.38 3hhm s LEU 25 N 1.39 4.58 0.66 0.00 1.02 0.17 -1.20 118.68 125.30 3hhm s LEU 25 Ca 0.03 -1.05 -0.13 0.00 0.02 0.00 0.00 54.13 53.01 3hhm s LEU 25 Cb -0.15 -2.41 -0.01 0.00 0.02 0.00 0.00 46.19 43.64 3hhm s LEU 25 CO -0.05 -1.36 1.06 -0.76 0.02 0.00 0.00 176.35 175.25 3hhm s LEU 26 N 3.77 3.27 0.23 1.79 1.43 0.39 0.08 118.68 129.64 3hhm s LEU 26 Ca 0.20 1.69 0.25 0.00 -1.03 0.00 0.00 54.13 55.25 3hhm s LEU 26 Cb -0.18 -4.51 0.86 0.00 0.03 0.00 0.00 46.19 42.39 3hhm s LEU 26 CO 0.10 -1.34 1.76 -0.81 0.23 0.00 0.00 176.35 176.29 3hhm n PRO 27 N -2.72 0.25 -0.08 1.29 -0.04 -1.24 -2.25 135.00 130.21 3hhm n PRO 27 Ca 0.08 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 3hhm n PRO 27 Cb 0.53 -1.83 0.30 0.00 -0.04 0.00 0.00 33.50 32.47 3hhm n PRO 27 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hhm n ASN 28 N -2.27 1.11 0.00 3.54 0.23 -1.26 -4.90 115.26 111.70 3hhm n ASN 28 Ca 0.05 -1.76 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 3hhm n ASN 28 Cb 0.38 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 3hhm n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hhm n GLY 29 N 0.94 0.15 3.87 4.83 0.00 -0.95 -5.03 105.19 109.00 3hhm n GLY 29 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3hhm n GLY 29 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hhm s MET 30 N -0.96 3.27 -0.27 1.61 -1.94 -1.25 -4.86 119.30 114.89 3hhm s MET 30 Ca 0.00 -0.50 -0.08 0.00 -1.71 0.00 0.00 55.69 53.41 3hhm s MET 30 Cb 0.00 -2.95 -0.01 0.00 2.01 0.00 0.00 34.83 33.87 3hhm s MET 30 CO 0.00 0.61 0.09 -1.50 -0.01 0.00 0.00 175.02 174.21 3hhm s ILE 31 N -1.44 4.27 -0.08 2.53 2.07 -1.26 -0.47 121.20 126.83 3hhm s ILE 31 Ca 0.32 -0.36 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 3hhm s ILE 31 Cb -0.13 -3.09 -0.00 0.00 0.13 0.00 0.00 42.46 39.37 3hhm s ILE 31 CO 0.24 0.22 -0.22 0.68 -1.91 0.00 0.00 174.94 173.95 3hhm s VAL 32 N 1.58 1.90 -0.19 4.00 -7.23 -0.34 -4.91 120.40 115.22 3hhm s VAL 32 Ca 0.05 -0.94 -0.15 0.00 -1.81 0.00 0.00 61.98 59.12 3hhm s VAL 32 Cb -0.16 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 3hhm s VAL 32 CO 0.04 0.53 0.37 -0.89 -0.31 0.00 0.00 175.10 174.83 3hhm s THR 33 N 0.22 5.23 -0.07 5.32 2.01 -1.26 -0.84 115.64 126.25 3hhm s THR 33 Ca -0.13 0.66 0.05 0.00 0.31 0.00 0.00 61.69 62.57 3hhm s THR 33 Cb -0.16 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 3hhm s THR 33 CO 0.06 0.29 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.85 3hhm s LEU 34 N 1.08 2.26 -0.39 4.42 2.96 -0.16 -4.92 118.68 123.93 3hhm s LEU 34 Ca 0.18 -0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 53.37 3hhm s LEU 34 Cb -0.14 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3hhm s LEU 34 CO 0.07 0.24 1.03 -0.70 -1.32 0.00 0.00 176.35 175.67 3hhm s GLU 35 N -0.12 3.86 0.08 1.98 2.12 -1.26 -1.45 118.70 123.91 3hhm s GLU 35 Ca -0.04 0.71 0.10 0.00 0.36 0.00 0.00 54.97 56.10 3hhm s GLU 35 Cb -0.14 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 3hhm s GLU 35 CO 0.04 -1.07 -0.26 0.00 -0.54 0.00 0.00 175.26 173.43 3hhm s LEU 37 N -1.60 4.55 0.60 0.00 1.02 -1.26 -0.84 118.68 121.14 3hhm s LEU 37 Ca 0.12 2.05 0.36 0.00 0.02 0.00 0.00 54.13 56.69 3hhm s LEU 37 Cb -0.10 -3.69 1.89 0.00 0.02 0.00 0.00 46.19 44.31 3hhm s LEU 37 CO 0.04 -0.01 2.20 0.08 0.02 0.00 0.00 176.35 178.68 3hhm h ARG 38 N 3.83 0.00 -0.65 1.70 0.11 -1.22 -1.14 114.38 117.01 3hhm h ARG 38 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3hhm h ARG 38 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3hhm h ARG 38 CO 0.67 0.03 0.00 0.39 0.10 0.00 0.00 179.97 181.16 3hhm n GLU 39 N -3.31 2.59 -1.72 0.08 4.71 -1.26 -1.38 120.64 120.34 3hhm n GLU 39 Ca -0.02 -2.46 -0.42 0.00 -0.01 0.00 0.00 57.16 54.25 3hhm n GLU 39 Cb 0.17 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 3hhm n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hhm s ALA 40 N -1.14 3.93 0.67 0.62 0.00 -0.43 -4.56 121.76 120.84 3hhm s ALA 40 Ca 0.45 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.88 3hhm s ALA 40 Cb 0.24 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3hhm s ALA 40 CO 0.32 -0.94 1.08 0.95 0.00 0.00 0.00 175.76 177.17 3hhm s THR 41 N 1.05 3.58 0.33 0.00 -4.23 -1.26 -0.36 115.64 114.76 3hhm s THR 41 Ca 0.74 0.65 0.07 0.00 -1.18 0.00 0.00 61.69 61.97 3hhm s THR 41 Cb -0.50 -3.21 0.10 0.00 1.34 0.00 0.00 72.50 70.24 3hhm s THR 41 CO 0.34 -0.54 1.80 -0.07 -0.54 0.00 0.00 174.62 175.61 3hhm h LEU 42 N -0.22 0.29 -0.53 4.79 3.38 -1.21 -2.21 115.31 119.61 3hhm h LEU 42 Ca -0.46 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.49 3hhm h LEU 42 Cb 1.23 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 3hhm h LEU 42 CO 0.55 0.54 0.22 0.16 0.09 0.00 0.00 178.44 180.00 3hhm h ILE 43 N 0.27 0.87 0.03 1.22 3.07 -1.43 -0.39 117.51 121.15 3hhm h ILE 43 Ca 0.04 -0.15 -0.22 0.00 1.55 0.00 0.00 64.86 66.09 3hhm h ILE 43 Cb 0.58 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 37.52 3hhm h ILE 43 CO 0.04 0.08 -0.99 0.71 -1.05 0.00 0.00 178.15 176.94 3hhm h THR 44 N 0.43 1.52 -0.28 0.16 1.35 -1.82 -1.82 112.91 112.45 3hhm h THR 44 Ca 0.25 -2.82 -0.01 0.00 -0.55 0.00 0.00 66.41 63.28 3hhm h THR 44 Cb 0.23 2.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3hhm h THR 44 CO -0.22 0.82 0.15 0.40 -0.25 0.00 0.00 175.52 176.42 3hhm h ILE 45 N 0.10 1.13 0.23 6.82 2.04 -1.16 -0.14 117.51 126.52 3hhm h ILE 45 Ca -0.06 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3hhm h ILE 45 Cb 1.66 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3hhm h ILE 45 CO 0.15 0.13 -0.13 0.50 0.00 0.00 0.00 178.15 178.80 3hhm h LYS 46 N 0.34 -0.33 -0.91 2.37 3.64 -1.06 0.18 116.57 120.81 3hhm h LYS 46 Ca 0.10 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.72 3hhm h LYS 46 Cb 0.07 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 31.84 3hhm h LYS 46 CO -0.02 -0.22 0.42 1.25 -2.27 0.00 0.00 179.45 178.62 3hhm h HIS 47 N -0.34 0.71 -0.39 1.91 2.76 -1.12 0.17 115.15 118.85 3hhm h HIS 47 Ca -0.02 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 3hhm h HIS 47 Cb 0.28 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3hhm h HIS 47 CO -0.08 -0.02 -0.23 0.93 -1.30 0.00 0.00 177.93 177.23 3hhm h GLU 48 N 0.44 0.84 -0.03 5.26 4.39 -0.44 -2.57 114.58 122.47 3hhm h GLU 48 Ca 0.57 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.90 3hhm h GLU 48 Cb 1.06 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 3hhm h GLU 48 CO -0.51 1.02 -0.10 1.25 -1.16 0.00 0.00 179.01 179.51 3hhm h LEU 49 N 0.65 -0.31 -0.53 1.33 5.85 0.22 -0.45 115.31 122.07 3hhm h LEU 49 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hhm h LEU 49 Cb 0.79 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3hhm h LEU 49 CO 0.06 -0.15 0.00 -0.26 -0.34 0.00 0.00 178.44 177.76 3hhm h PHE 50 N -0.16 0.00 0.48 1.25 -1.00 -1.23 0.93 116.94 117.20 3hhm h PHE 50 Ca 0.05 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 3hhm h PHE 50 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3hhm h PHE 50 CO -0.18 0.00 -0.23 -0.22 -1.61 0.00 0.00 178.31 176.07 3hhm h LYS 51 N 0.00 -0.62 0.00 1.51 3.64 -1.06 -3.34 116.57 116.70 3hhm h LYS 51 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hhm h LYS 51 Cb 0.71 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hhm h LYS 51 CO 0.00 -0.33 0.00 -1.91 -2.27 0.00 0.00 179.45 174.94 3hhm n GLU 52 N -5.22 0.09 0.20 1.90 2.13 -0.21 -2.61 120.64 116.91 3hhm n GLU 52 Ca -0.10 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.00 3hhm n GLU 52 Cb 0.29 -1.63 0.38 0.00 0.27 0.00 0.00 31.44 30.75 3hhm n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hhm h ALA 53 N 2.61 1.02 0.00 4.31 0.00 -0.94 -3.08 119.26 123.18 3hhm h ALA 53 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hhm h ALA 53 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hhm h ALA 53 CO 0.00 0.41 0.00 0.54 0.00 0.00 0.00 179.25 180.20 3hhm n ARG 54 N -3.51 0.36 0.00 0.00 1.74 -1.07 -1.43 116.66 112.75 3hhm n ARG 54 Ca -0.00 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 3hhm n ARG 54 Cb 0.48 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 3hhm n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hhm n LYS 55 N -1.01 1.64 -4.19 5.56 5.02 -1.16 -4.98 118.16 119.04 3hhm n LYS 55 Ca 0.09 -0.89 -0.26 0.00 -2.02 0.00 0.00 58.31 55.22 3hhm n LYS 55 Cb 0.04 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 3hhm n LYS 55 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hhm s TYR 56 N -1.61 2.89 0.46 2.13 2.02 -0.51 -5.09 117.35 117.64 3hhm s TYR 56 Ca 0.13 -0.12 -0.23 0.00 -0.37 0.00 0.00 57.07 56.48 3hhm s TYR 56 Cb 0.12 -1.39 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 3hhm s TYR 56 CO 0.32 0.53 0.97 -2.30 -1.57 0.00 0.00 175.55 173.49 3hhm n PRO 57 N -0.25 1.22 -1.04 -1.71 -0.02 -1.26 -3.18 135.00 128.76 3hhm n PRO 57 Ca -0.09 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 3hhm n PRO 57 Cb 0.55 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3hhm n PRO 57 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hhm n LEU 58 N 0.29 0.05 0.02 2.45 4.32 -1.26 -4.91 117.00 117.96 3hhm n LEU 58 Ca 0.10 0.03 0.22 0.00 -0.02 0.00 0.00 56.01 56.34 3hhm n LEU 58 Cb 0.41 -0.91 0.62 0.00 -1.62 0.00 0.00 43.42 41.91 3hhm n LEU 58 CO 0.55 -0.20 1.20 1.12 -1.22 0.00 0.00 177.39 178.83 3hhm h HIS 59 N 0.00 0.00 0.00 -1.77 2.07 -1.81 -0.92 115.15 112.72 3hhm h HIS 59 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 3hhm h HIS 59 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 3hhm h HIS 59 CO 0.12 0.00 0.00 -0.56 -3.07 0.00 0.00 177.93 174.42 3hhm h GLN 60 N 0.00 0.00 -0.02 5.12 -0.00 -1.91 -2.95 115.11 115.35 3hhm h GLN 60 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 3hhm h GLN 60 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.20 3hhm h GLN 60 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.11 3hhm n LEU 61 N -2.83 0.31 -4.78 0.06 4.77 -0.35 -4.82 117.00 109.36 3hhm n LEU 61 Ca 0.04 -0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.52 3hhm n LEU 61 Cb 0.48 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3hhm n LEU 61 CO 0.32 0.06 0.15 -0.76 -1.33 0.00 0.00 177.39 175.83 3hhm s LEU 62 N -1.68 4.39 0.00 2.23 1.43 -1.12 -4.83 118.68 119.10 3hhm s LEU 62 Ca 0.33 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.24 3hhm s LEU 62 Cb 0.16 -2.67 0.17 0.00 0.03 0.00 0.00 46.19 43.89 3hhm s LEU 62 CO 0.26 0.18 1.04 0.00 0.23 0.00 0.00 176.35 178.06 3hhm n GLN 63 N 2.62 -0.93 -1.58 1.70 1.13 -1.26 -5.04 117.38 114.02 3hhm n GLN 63 Ca -0.11 -1.70 -0.35 0.00 -1.94 0.00 0.00 57.00 52.90 3hhm n GLN 63 Cb 0.52 -1.04 0.08 0.00 0.11 0.00 0.00 30.24 29.91 3hhm n GLN 63 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hhm s ASP 64 N -4.83 4.41 0.28 1.08 -0.00 -1.26 -4.91 116.67 111.44 3hhm s ASP 64 Ca 0.60 2.43 -0.07 0.00 -0.00 0.00 0.00 52.55 55.51 3hhm s ASP 64 Cb -0.02 -2.60 0.49 0.00 -0.00 0.00 0.00 42.92 40.80 3hhm s ASP 64 CO 0.42 -2.12 1.56 -0.08 -0.00 0.00 0.00 175.17 174.95 3hhm h GLU 65 N 0.06 0.00 -0.00 8.23 4.81 -1.98 -1.27 114.58 124.43 3hhm h GLU 65 Ca -0.49 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hhm h GLU 65 Cb 1.31 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3hhm h GLU 65 CO 0.51 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.66 3hhm n SER 66 N -5.61 0.04 -0.00 1.04 3.41 -1.26 -3.39 113.62 107.84 3hhm n SER 66 Ca 0.17 -1.16 0.13 0.00 -0.26 0.00 0.00 58.87 57.75 3hhm n SER 66 Cb 0.53 -0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.97 3hhm n SER 66 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hhm n SER 67 N -0.90 0.19 -4.54 4.04 7.64 -0.48 -4.94 113.62 114.64 3hhm n SER 67 Ca 0.20 0.20 -0.25 0.00 1.01 0.00 0.00 58.87 60.03 3hhm n SER 67 Cb 0.10 -0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 62.97 3hhm n SER 67 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hhm s TYR 68 N -2.98 2.24 0.03 1.43 2.02 -1.22 -4.47 117.35 114.40 3hhm s TYR 68 Ca 0.14 -0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 56.00 3hhm s TYR 68 Cb 0.19 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3hhm s TYR 68 CO 0.59 0.23 0.01 0.42 -1.57 0.00 0.00 175.55 175.23 3hhm s ILE 69 N -2.98 0.14 0.44 2.71 -1.09 -0.54 -4.95 121.20 114.92 3hhm s ILE 69 Ca 0.35 -1.11 -0.13 0.00 -2.23 0.00 0.00 60.65 57.52 3hhm s ILE 69 Cb 0.09 -0.65 -0.07 0.00 -1.58 0.00 0.00 42.46 40.24 3hhm s ILE 69 CO 0.16 -0.61 0.86 -0.36 -1.23 0.00 0.00 174.94 173.76 3hhm s PHE 70 N -2.18 3.45 -0.07 3.97 0.08 -1.26 -2.19 117.98 119.79 3hhm s PHE 70 Ca -0.09 1.24 -0.05 0.00 0.12 0.00 0.00 56.93 58.15 3hhm s PHE 70 Cb -0.04 -2.60 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 3hhm s PHE 70 CO -0.03 -0.20 0.17 0.08 -0.10 0.00 0.00 175.22 175.14 3hhm s VAL 71 N -2.44 -0.02 0.31 -0.44 1.01 0.30 -2.08 120.40 117.05 3hhm s VAL 71 Ca 0.55 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 3hhm s VAL 71 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3hhm s VAL 71 CO 0.30 0.03 0.48 -0.55 0.00 0.00 0.00 175.10 175.36 3hhm s SER 72 N 0.58 0.53 -0.16 3.32 0.15 -0.91 0.03 113.70 117.24 3hhm s SER 72 Ca -0.04 -1.30 -0.16 0.00 0.70 0.00 0.00 55.95 55.15 3hhm s SER 72 Cb -0.06 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 3hhm s SER 72 CO -0.03 -1.26 0.37 -0.69 1.20 0.00 0.00 173.24 172.82 3hhm s VAL 73 N -3.31 5.25 0.48 4.45 1.01 -1.26 -1.17 120.40 125.86 3hhm s VAL 73 Ca 0.28 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 3hhm s VAL 73 Cb -0.00 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 3hhm s VAL 73 CO 0.16 0.34 0.73 0.42 0.00 0.00 0.00 175.10 176.75 3hhm s THR 74 N 0.68 4.00 -2.00 3.92 -4.23 -0.59 -1.64 115.64 115.79 3hhm s THR 74 Ca 0.20 -0.33 0.13 0.00 -1.18 0.00 0.00 61.69 60.50 3hhm s THR 74 Cb -0.14 -3.51 0.37 0.00 1.34 0.00 0.00 72.50 70.56 3hhm s THR 74 CO 0.07 -0.40 1.24 0.00 -0.54 0.00 0.00 174.62 174.98 3hhm n GLN 75 N -2.20 0.61 -0.30 3.99 10.64 -0.05 0.10 117.38 130.17 3hhm n GLN 75 Ca 0.02 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.29 3hhm n GLN 75 Cb 0.57 -1.33 0.27 0.00 -0.86 0.00 0.00 30.24 28.90 3hhm n GLN 75 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3hhm n GLU 76 N -0.83 2.42 -1.93 2.61 1.02 -1.26 -4.98 120.64 117.69 3hhm n GLU 76 Ca 0.10 -2.20 -0.09 0.00 -0.02 0.00 0.00 57.16 54.95 3hhm n GLU 76 Cb 0.04 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 3hhm n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hhm n ALA 77 N 1.29 -0.23 -2.63 0.62 0.00 0.11 -4.97 120.51 114.71 3hhm n ALA 77 Ca 0.20 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 3hhm n ALA 77 Cb 0.52 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 3hhm n ALA 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hhm s GLU 78 N -4.01 2.23 -0.72 0.00 -1.05 -1.25 -4.88 118.70 109.02 3hhm s GLU 78 Ca 0.00 -1.42 -0.23 0.00 -0.15 0.00 0.00 54.97 53.18 3hhm s GLU 78 Cb 0.00 -2.14 0.07 0.00 -0.44 0.00 0.00 34.13 31.62 3hhm s GLU 78 CO 0.00 0.37 1.06 1.03 0.95 0.00 0.00 175.26 178.67 3hhm s ARG 79 N -3.55 3.21 -0.03 -4.83 0.52 -1.26 -1.54 118.95 111.47 3hhm s ARG 79 Ca 0.30 -0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 54.47 3hhm s ARG 79 Cb -0.07 -4.37 -0.05 0.00 0.52 0.00 0.00 34.95 30.98 3hhm s ARG 79 CO 0.19 -1.88 0.45 -2.00 0.02 0.00 0.00 175.30 172.08 3hhm s GLU 80 N 4.18 4.11 -0.22 3.54 2.12 -0.32 -4.92 118.70 127.18 3hhm s GLU 80 Ca 0.27 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.95 3hhm s GLU 80 Cb -0.13 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 3hhm s GLU 80 CO 0.07 0.50 0.19 -1.21 -0.54 0.00 0.00 175.26 174.28 3hhm s GLU 81 N -0.49 4.11 -0.61 4.30 2.02 -1.26 -2.14 118.70 124.63 3hhm s GLU 81 Ca 0.25 -0.18 -0.18 0.00 0.02 0.00 0.00 54.97 54.88 3hhm s GLU 81 Cb -0.16 -3.51 0.12 0.00 0.10 0.00 0.00 34.13 30.67 3hhm s GLU 81 CO 0.13 0.10 0.67 -0.06 0.02 0.00 0.00 175.26 176.11 3hhm s PHE 82 N 0.94 3.13 0.02 1.61 0.08 -0.88 -4.88 117.98 118.01 3hhm s PHE 82 Ca 0.10 -1.15 -0.11 0.00 0.12 0.00 0.00 56.93 55.88 3hhm s PHE 82 Cb -0.13 -3.95 -0.33 0.00 -0.57 0.00 0.00 43.02 38.04 3hhm s PHE 82 CO 0.04 -1.20 0.95 0.74 -0.10 0.00 0.00 175.22 175.65 3hhm h PHE 83 N 8.98 0.79 -0.89 0.36 0.04 -1.97 -3.39 116.94 120.86 3hhm h PHE 83 Ca -0.25 -0.58 -0.51 0.00 2.80 0.00 0.00 57.97 59.44 3hhm h PHE 83 Cb 1.08 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 39.13 3hhm h PHE 83 CO 0.83 1.51 1.41 0.34 -0.60 0.00 0.00 178.31 181.81 3hhm s ASP 84 N -7.39 6.07 0.00 2.17 -1.08 -1.26 -4.78 116.67 110.40 3hhm s ASP 84 Ca -0.09 -1.49 0.15 0.00 -0.52 0.00 0.00 52.55 50.59 3hhm s ASP 84 Cb 0.05 -2.57 0.87 0.00 -1.46 0.00 0.00 42.92 39.81 3hhm s ASP 84 CO 0.91 -1.92 1.40 -0.62 0.52 0.00 0.00 175.17 175.45 3hhm n GLU 85 N 8.71 0.77 0.15 4.34 1.02 -1.26 -2.08 120.64 132.30 3hhm n GLU 85 Ca 0.39 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3hhm n GLU 85 Cb 0.48 -1.30 0.31 0.00 -0.02 0.00 0.00 31.44 30.92 3hhm n GLU 85 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3hhm h THR 86 N 0.00 0.00 -3.87 2.62 2.02 -1.96 -0.69 112.91 111.03 3hhm h THR 86 Ca 0.00 -0.69 -0.52 0.00 0.77 0.00 0.00 66.41 65.98 3hhm h THR 86 Cb 0.00 1.69 0.05 0.00 -1.74 0.00 0.00 68.15 68.15 3hhm h THR 86 CO 0.00 0.00 0.57 -0.13 0.37 0.00 0.00 175.52 176.33 3hhm s ARG 87 N -3.15 4.39 0.44 6.66 0.52 -0.88 -4.74 118.95 122.19 3hhm s ARG 87 Ca 0.09 2.04 -0.13 0.00 -0.52 0.00 0.00 55.73 57.21 3hhm s ARG 87 Cb 0.09 -3.04 -0.07 0.00 0.52 0.00 0.00 34.95 32.45 3hhm s ARG 87 CO 0.62 -0.10 0.85 1.03 0.02 0.00 0.00 175.30 177.73 3hhm s ARG 88 N -1.77 3.86 0.16 3.54 0.52 -1.26 -2.09 118.95 121.91 3hhm s ARG 88 Ca 0.49 0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 56.22 3hhm s ARG 88 Cb -0.36 -2.30 0.10 0.00 0.52 0.00 0.00 34.95 32.91 3hhm s ARG 88 CO 0.47 -0.11 1.73 1.25 0.02 0.00 0.00 175.30 178.66 3hhm h LEU 89 N 1.21 0.03 0.00 2.53 5.85 -0.81 -0.85 115.31 123.27 3hhm h LEU 89 Ca -0.47 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hhm h LEU 89 Cb 1.19 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3hhm h LEU 89 CO 0.63 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 3hhm n ASP 91 N -1.41 1.06 -4.70 0.00 8.00 -0.35 -4.77 116.55 114.39 3hhm n ASP 91 Ca 0.03 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.16 3hhm n ASP 91 Cb 0.09 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 3hhm n ASP 91 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hhm n LEU 92 N -3.06 3.68 -2.05 0.64 4.77 -1.08 -4.83 117.00 115.07 3hhm n LEU 92 Ca -0.34 1.07 -0.14 0.00 -0.03 0.00 0.00 56.01 56.57 3hhm n LEU 92 Cb 1.07 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 3hhm n LEU 92 CO 0.38 0.02 1.50 0.54 -1.33 0.00 0.00 177.39 178.50 3hhm n ARG 93 N 3.78 1.95 -1.57 3.23 3.00 -1.26 -4.78 116.66 121.02 3hhm n ARG 93 Ca 0.16 -1.23 -0.40 0.00 -0.01 0.00 0.00 57.85 56.38 3hhm n ARG 93 Cb 0.33 -1.88 0.03 0.00 0.00 0.00 0.00 32.46 30.93 3hhm n ARG 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hhm n LEU 94 N 1.84 2.22 0.08 0.55 4.77 -1.26 -0.87 117.00 124.34 3hhm n LEU 94 Ca 0.38 0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 57.04 3hhm n LEU 94 Cb 0.76 -1.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 3hhm n LEU 94 CO 0.17 -2.04 -0.29 0.15 -1.33 0.00 0.00 177.39 174.05 3hhm h PHE 95 N 0.94 0.72 -3.97 -1.77 3.57 -1.52 -3.21 116.94 111.69 3hhm h PHE 95 Ca -0.45 -0.52 -0.23 0.00 3.53 0.00 0.00 57.97 60.29 3hhm h PHE 95 Cb 1.36 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.87 3hhm h PHE 95 CO 0.39 1.54 -0.72 -1.14 -2.23 0.00 0.00 178.31 176.14 3hhm s GLN 96 N -2.53 0.47 -0.99 1.11 2.00 -1.26 -2.78 119.66 115.68 3hhm s GLN 96 Ca -0.14 -0.74 -0.22 0.00 -2.00 0.00 0.00 55.36 52.27 3hhm s GLN 96 Cb 0.04 -0.14 -0.11 0.00 0.80 0.00 0.00 33.01 33.59 3hhm s GLN 96 CO 0.86 0.01 1.93 -0.35 -0.50 0.00 0.00 175.29 177.24 3hhm n PRO 97 N 1.43 1.68 -3.78 1.67 -0.04 -1.26 -4.85 135.00 129.86 3hhm n PRO 97 Ca -0.23 -2.20 -0.12 0.00 -0.04 0.00 0.00 63.50 60.91 3hhm n PRO 97 Cb 0.55 -3.28 -0.08 0.00 -0.04 0.00 0.00 33.50 30.65 3hhm n PRO 97 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hhm s PHE 98 N 7.27 -0.12 0.18 0.54 -0.12 -1.26 -2.02 117.98 122.45 3hhm s PHE 98 Ca 0.61 0.09 0.08 0.00 -0.05 0.00 0.00 56.93 57.66 3hhm s PHE 98 Cb 0.08 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3hhm s PHE 98 CO 0.12 -0.42 -0.16 -0.51 -0.05 0.00 0.00 175.22 174.19 3hhm s LEU 99 N -1.65 2.49 -0.01 -1.99 1.43 0.53 -4.75 118.68 114.73 3hhm s LEU 99 Ca -0.10 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 3hhm s LEU 99 Cb -0.04 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 3hhm s LEU 99 CO 0.01 -0.10 -0.20 -0.75 0.23 0.00 0.00 176.35 175.54 3hhm s LYS 100 N -3.16 1.54 -0.31 1.70 2.20 0.10 -0.66 119.74 121.16 3hhm s LYS 100 Ca 0.18 -0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 3hhm s LYS 100 Cb -0.03 -1.52 -0.01 0.00 -1.51 0.00 0.00 37.83 34.76 3hhm s LYS 100 CO 0.07 0.41 0.17 0.08 -0.36 0.00 0.00 175.35 175.72 3hhm s VAL 101 N -0.51 4.81 0.21 4.02 1.01 0.11 -0.53 120.40 129.52 3hhm s VAL 101 Ca 0.07 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3hhm s VAL 101 Cb -0.08 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3hhm s VAL 101 CO -0.00 0.07 -0.04 0.27 0.00 0.00 0.00 175.10 175.40 3hhm s ILE 102 N 1.65 1.15 -0.13 2.22 -4.36 -0.93 -3.73 121.20 117.07 3hhm s ILE 102 Ca 0.05 -2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 58.21 3hhm s ILE 102 Cb -0.17 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 3hhm s ILE 102 CO 0.08 -0.46 0.46 -0.70 0.24 0.00 0.00 174.94 174.55 3hhm s GLU 103 N -3.81 4.33 -0.78 0.37 2.12 -1.26 -1.47 118.70 118.20 3hhm s GLU 103 Ca 0.25 0.40 -0.24 0.00 0.36 0.00 0.00 54.97 55.74 3hhm s GLU 103 Cb 0.04 -3.44 -0.17 0.00 0.26 0.00 0.00 34.13 30.82 3hhm s GLU 103 CO 0.06 0.16 2.42 -2.30 -0.54 0.00 0.00 175.26 175.06 3hhm n PRO 104 N 3.71 0.49 -0.47 4.30 -0.02 -1.26 -4.93 135.00 136.82 3hhm n PRO 104 Ca -0.08 -0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.08 3hhm n PRO 104 Cb 0.52 -2.68 0.04 0.00 -0.02 0.00 0.00 33.50 31.36 3hhm n PRO 104 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhm n VAL 105 N 7.67 0.00 -1.48 -1.45 0.31 -1.26 -4.13 118.33 117.99 3hhm n VAL 105 Ca 0.52 -0.21 -0.05 0.00 -0.01 0.00 0.00 64.34 64.59 3hhm n VAL 105 Cb 0.33 -1.82 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 3hhm n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhm n GLY 106 N 3.27 0.19 0.55 2.92 0.00 -1.26 -4.41 105.19 106.44 3hhm n GLY 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hhm n GLY 106 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hhm n ASN 107 N -0.06 0.00 -3.77 1.61 5.15 -1.26 -4.40 115.26 112.53 3hhm n ASN 107 Ca -0.05 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.51 3hhm n ASN 107 Cb 0.25 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.51 3hhm n ASN 107 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3hhm n ARG 108 N 0.17 4.60 -1.52 1.20 0.63 -1.26 -4.97 116.66 115.51 3hhm n ARG 108 Ca 0.00 -4.15 -0.46 0.00 -0.92 0.00 0.00 57.85 52.32 3hhm n ARG 108 Cb 0.00 -2.61 -0.05 0.00 0.45 0.00 0.00 32.46 30.25 3hhm n ARG 108 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3hhm n GLU 109 N 1.55 1.47 0.00 -0.14 2.13 -1.26 -2.66 120.64 121.73 3hhm n GLU 109 Ca 0.42 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3hhm n GLU 109 Cb 0.30 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 29.14 3hhm n GLU 109 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3hhm n GLU 110 N 8.53 0.00 -0.07 5.31 1.02 -1.26 -4.88 120.64 129.29 3hhm n GLU 110 Ca 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.41 3hhm n GLU 110 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.74 3hhm n GLU 110 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hhm h LYS 111 N 0.00 0.34 -0.70 3.49 1.57 -1.93 -0.82 116.57 118.52 3hhm h LYS 111 Ca 0.00 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3hhm h LYS 111 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3hhm h LYS 111 CO 0.00 0.25 0.16 0.82 -0.57 0.00 0.00 179.45 180.11 3hhm h ILE 112 N 0.33 1.26 -0.77 1.86 2.04 -1.86 -3.09 117.51 117.28 3hhm h ILE 112 Ca 0.09 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 3hhm h ILE 112 Cb -0.01 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3hhm h ILE 112 CO -0.02 0.38 0.48 -0.07 0.00 0.00 0.00 178.15 178.92 3hhm h LEU 113 N 1.07 0.91 -1.57 1.44 3.38 -1.72 -1.20 115.31 117.62 3hhm h LEU 113 Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hhm h LEU 113 Cb 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hhm h LEU 113 CO 0.01 0.69 0.00 0.59 0.09 0.00 0.00 178.44 179.81 3hhm n ASN 114 N -4.39 0.00 0.00 -0.43 3.02 -0.34 -1.99 115.26 111.12 3hhm n ASN 114 Ca 0.08 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.72 3hhm n ASN 114 Cb 0.05 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.62 3hhm n ASN 114 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3hhm n ARG 115 N 0.57 0.07 -0.06 3.52 0.00 -0.45 -2.51 116.66 117.79 3hhm n ARG 115 Ca 0.00 0.17 0.09 0.00 -0.00 0.00 0.00 57.85 58.11 3hhm n ARG 115 Cb 0.00 -1.50 0.47 0.00 0.00 0.00 0.00 32.46 31.43 3hhm n ARG 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hhm h GLU 116 N 0.00 0.45 -0.15 -0.14 5.08 -1.68 -2.28 114.58 115.86 3hhm h GLU 116 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hhm h GLU 116 Cb 0.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hhm h GLU 116 CO 0.00 0.30 0.07 0.82 -1.00 0.00 0.00 179.01 179.20 3hhm h ILE 117 N 0.47 1.13 -0.67 3.13 2.04 -1.79 -2.06 117.51 119.76 3hhm h ILE 117 Ca 0.23 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.87 3hhm h ILE 117 Cb 0.33 1.10 -0.11 0.00 -0.74 0.00 0.00 36.82 37.41 3hhm h ILE 117 CO -0.06 0.12 0.09 1.23 0.00 0.00 0.00 178.15 179.53 3hhm h GLY 118 N 0.11 0.83 0.72 5.37 0.00 -1.61 -0.84 103.07 107.65 3hhm h GLY 118 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3hhm h GLY 118 CO -0.01 -0.19 -0.11 -2.75 0.00 0.00 0.00 176.54 173.48 3hhm h PHE 119 N 0.20 -0.29 -0.56 5.60 3.57 -1.33 -0.87 116.94 123.26 3hhm h PHE 119 Ca 0.36 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.95 3hhm h PHE 119 Cb 0.60 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 3hhm h PHE 119 CO -0.31 0.02 0.16 0.00 -2.23 0.00 0.00 178.31 175.95 3hhm h ALA 120 N 0.09 0.68 -0.10 2.41 0.00 -1.13 -2.73 119.26 118.48 3hhm h ALA 120 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hhm h ALA 120 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hhm h ALA 120 CO 0.05 -0.25 -0.42 0.82 0.00 0.00 0.00 179.25 179.45 3hhm h ILE 121 N 0.32 1.31 -0.30 0.00 2.04 -1.10 -3.47 117.51 116.31 3hhm h ILE 121 Ca 0.28 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3hhm h ILE 121 Cb 0.37 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3hhm h ILE 121 CO -0.32 0.46 0.00 0.61 0.00 0.00 0.00 178.15 178.89 3hhm n GLY 122 N -0.17 0.81 3.64 5.37 0.00 -0.37 -5.00 105.19 109.47 3hhm n GLY 122 Ca -0.02 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 3hhm n GLY 122 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hhm s MET 123 N -3.59 0.44 -0.36 1.61 -2.45 -0.96 -5.07 119.30 108.93 3hhm s MET 123 Ca 0.00 0.61 -0.29 0.00 -1.25 0.00 0.00 55.69 54.77 3hhm s MET 123 Cb 0.00 0.17 -0.01 0.00 1.25 0.00 0.00 34.83 36.24 3hhm s MET 123 CO 0.00 -0.07 1.62 -1.25 1.05 0.00 0.00 175.02 176.37 3hhm s PRO 124 N 0.68 3.47 0.07 4.11 0.04 -1.26 -4.39 135.00 137.72 3hhm s PRO 124 Ca -0.02 1.23 -0.34 0.00 0.04 0.00 0.00 61.00 61.91 3hhm s PRO 124 Cb -0.04 -4.11 -0.13 0.00 0.04 0.00 0.00 34.50 30.25 3hhm s PRO 124 CO -0.10 -1.70 1.71 0.28 0.04 0.00 0.00 177.00 177.23 3hhm n VAL 125 N 7.23 0.23 0.00 -0.36 0.31 -1.26 -1.15 118.33 123.33 3hhm n VAL 125 Ca 0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3hhm n VAL 125 Cb 0.47 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3hhm n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hhm h GLU 127 N 0.04 0.00 -0.02 0.00 5.08 -1.53 -2.23 114.58 115.91 3hhm h GLU 127 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3hhm h GLU 127 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hhm h GLU 127 CO 0.00 0.01 -0.99 0.74 -1.00 0.00 0.00 179.01 177.77 3hhm h PHE 128 N 0.00 0.95 -0.23 4.33 0.05 -1.88 -3.36 116.94 116.80 3hhm h PHE 128 Ca -0.00 -0.50 0.07 0.00 3.82 0.00 0.00 57.97 61.35 3hhm h PHE 128 Cb 0.03 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 3hhm h PHE 128 CO 0.00 1.34 0.36 -0.44 -0.18 0.00 0.00 178.31 179.39 3hhm h ASP 129 N 0.38 0.00 -1.80 2.17 3.32 -1.76 -2.34 116.42 116.39 3hhm h ASP 129 Ca -0.11 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.46 3hhm h ASP 129 Cb 1.63 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.78 3hhm h ASP 129 CO 0.19 0.00 -1.07 0.80 -1.72 0.00 0.00 179.24 177.44 3hhm n MET 130 N -3.43 1.59 0.08 3.56 1.56 -1.24 -4.88 117.12 114.37 3hhm n MET 130 Ca 0.03 -3.70 -0.23 0.00 -0.27 0.00 0.00 57.70 53.53 3hhm n MET 130 Cb 0.48 -1.74 -0.15 0.00 2.15 0.00 0.00 33.22 33.96 3hhm n MET 130 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3hhm h VAL 131 N 1.90 1.07 0.00 1.12 2.07 -1.59 -3.49 116.25 117.34 3hhm h VAL 131 Ca 0.08 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.06 3hhm h VAL 131 Cb 0.93 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3hhm h VAL 131 CO 0.58 0.81 0.00 0.29 0.02 0.00 0.00 177.57 179.27 3hhm n LYS 132 N -3.72 0.00 -1.60 1.57 5.02 -1.26 -5.01 118.16 113.16 3hhm n LYS 132 Ca -0.22 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.50 3hhm n LYS 132 Cb 1.04 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.97 3hhm n LYS 132 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hhm n ASP 133 N 1.70 2.05 0.23 4.39 -0.08 -1.26 -4.84 116.55 118.74 3hhm n ASP 133 Ca 0.00 0.89 0.08 0.00 -1.51 0.00 0.00 54.79 54.25 3hhm n ASP 133 Cb 0.00 -1.12 0.53 0.00 2.34 0.00 0.00 41.12 42.87 3hhm n ASP 133 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hhm h PRO 134 N 8.43 0.00 -0.65 -0.67 0.11 -1.99 -2.44 132.00 134.79 3hhm h PRO 134 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3hhm h PRO 134 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 3hhm h PRO 134 CO 0.99 0.24 0.37 1.49 -0.21 0.00 0.00 178.00 180.88 3hhm h GLU 135 N 0.00 0.90 0.34 1.05 4.81 -1.99 -0.29 114.58 119.40 3hhm h GLU 135 Ca -0.00 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3hhm h GLU 135 Cb 0.56 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3hhm h GLU 135 CO 0.03 0.67 -0.16 0.28 -0.73 0.00 0.00 179.01 179.10 3hhm h VAL 136 N 0.89 0.68 -0.03 0.32 2.07 -1.83 -0.28 116.25 118.08 3hhm h VAL 136 Ca 0.23 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hhm h VAL 136 Cb 0.02 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3hhm h VAL 136 CO -0.04 0.05 -0.16 -0.61 0.02 0.00 0.00 177.57 176.83 3hhm h GLN 137 N -0.58 0.05 -0.19 1.57 5.75 -1.37 -1.30 115.11 119.03 3hhm h GLN 137 Ca -0.05 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 3hhm h GLN 137 Cb 0.43 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3hhm h GLN 137 CO 0.08 0.21 -0.38 -0.44 -2.65 0.00 0.00 178.83 175.64 3hhm h ASP 138 N 0.04 0.67 -0.57 -0.69 3.32 -0.91 -2.94 116.42 115.35 3hhm h ASP 138 Ca 0.01 -0.55 0.09 0.00 0.02 0.00 0.00 57.03 56.60 3hhm h ASP 138 Cb 0.31 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 3hhm h ASP 138 CO 0.02 1.10 0.19 0.15 -1.72 0.00 0.00 179.24 178.98 3hhm h PHE 139 N 0.27 0.33 -0.76 4.55 3.57 0.05 0.49 116.94 125.44 3hhm h PHE 139 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hhm h PHE 139 Cb 0.99 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 3hhm h PHE 139 CO 0.09 0.07 0.49 0.00 -2.23 0.00 0.00 178.31 176.74 3hhm h ARG 140 N 0.36 1.01 0.16 1.11 3.08 -1.36 -2.32 114.38 116.42 3hhm h ARG 140 Ca 0.29 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3hhm h ARG 140 Cb 0.35 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3hhm h ARG 140 CO -0.30 0.68 -0.08 0.00 -1.07 0.00 0.00 179.97 179.20 3hhm h ARG 141 N 1.03 -0.21 0.00 0.04 3.08 -1.22 -3.36 114.38 113.75 3hhm h ARG 141 Ca 0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3hhm h ARG 141 Cb -0.10 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3hhm h ARG 141 CO -0.06 0.23 0.00 -0.91 -1.07 0.00 0.00 179.97 178.16 3hhm h ASN 142 N -0.80 0.00 0.71 7.04 2.35 -0.01 -2.92 115.58 121.95 3hhm h ASN 142 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3hhm h ASN 142 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3hhm h ASN 142 CO 0.04 0.00 -0.34 0.00 -1.65 0.00 0.00 177.43 175.47 3hhm n ILE 143 N -2.92 0.04 0.23 2.81 0.13 -0.88 -3.69 119.36 115.09 3hhm n ILE 143 Ca 0.01 -0.03 0.09 0.00 -1.10 0.00 0.00 62.75 61.72 3hhm n ILE 143 Cb 0.31 -0.03 0.57 0.00 -0.84 0.00 0.00 39.64 39.65 3hhm n ILE 143 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3hhm h LEU 144 N 0.00 0.00 -0.50 9.51 3.38 -1.66 -2.29 115.31 123.75 3hhm h LEU 144 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3hhm h LEU 144 Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3hhm h LEU 144 CO 0.00 0.21 0.13 0.78 0.09 0.00 0.00 178.44 179.65 3hhm h ASN 145 N 0.00 0.07 -0.72 -0.43 2.35 -1.77 -0.62 115.58 114.45 3hhm h ASN 145 Ca -0.00 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3hhm h ASN 145 Cb 0.49 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 3hhm h ASN 145 CO 0.03 0.07 0.46 0.58 -1.65 0.00 0.00 177.43 176.91 3hhm h VAL 146 N 0.28 1.20 0.01 2.81 2.07 -1.66 -0.95 116.25 120.01 3hhm h VAL 146 Ca 0.25 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3hhm h VAL 146 Cb 0.31 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3hhm h VAL 146 CO -0.29 0.20 -0.12 0.00 0.02 0.00 0.00 177.57 177.38 3hhm h LYS 148 N -0.21 0.43 -0.27 0.00 1.79 -0.44 0.89 116.57 118.76 3hhm h LYS 148 Ca 0.04 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 3hhm h LYS 148 Cb 0.26 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3hhm h LYS 148 CO -0.11 0.29 0.05 0.93 -1.08 0.00 0.00 179.45 179.52 3hhm h GLU 149 N 0.45 0.45 -0.06 3.15 5.08 -1.05 -0.90 114.58 121.70 3hhm h GLU 149 Ca 0.29 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hhm h GLU 149 Cb 0.32 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3hhm h GLU 149 CO -0.27 0.56 0.03 0.00 -1.00 0.00 0.00 179.01 178.34 3hhm h ALA 150 N 0.87 0.08 -0.69 3.43 0.00 -0.84 0.88 119.26 122.98 3hhm h ALA 150 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hhm h ALA 150 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hhm h ALA 150 CO 0.00 -0.39 0.31 0.28 0.00 0.00 0.00 179.25 179.46 3hhm h VAL 151 N 0.02 1.23 -0.09 0.00 2.07 -0.78 -2.22 116.25 116.47 3hhm h VAL 151 Ca 0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3hhm h VAL 151 Cb 0.07 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3hhm h VAL 151 CO -0.00 0.27 0.02 0.44 0.02 0.00 0.00 177.57 178.32 3hhm h ASP 152 N 0.98 0.15 0.00 0.57 3.45 -1.00 -2.62 116.42 117.95 3hhm h ASP 152 Ca 0.24 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3hhm h ASP 152 Cb 0.13 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3hhm h ASP 152 CO -0.03 0.37 0.00 -0.11 -1.57 0.00 0.00 179.24 177.90 3hhm n LEU 153 N -4.86 0.00 -0.10 1.55 0.00 0.29 -1.20 117.00 112.68 3hhm n LEU 153 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.84 3hhm n LEU 153 Cb 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.43 3hhm n LEU 153 CO 0.35 0.00 -1.18 0.54 0.00 0.00 0.00 177.39 177.09 3hhm n ARG 154 N -1.00 0.68 -0.26 1.96 1.74 -0.88 -4.33 116.66 114.57 3hhm n ARG 154 Ca 0.05 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 3hhm n ARG 154 Cb 0.02 -1.52 0.26 0.00 -1.02 0.00 0.00 32.46 30.20 3hhm n ARG 154 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hhm n ASP 155 N -2.82 3.05 -4.56 0.55 -0.08 -0.34 -3.25 116.55 109.10 3hhm n ASP 155 Ca -0.35 -1.97 -0.38 0.00 -1.51 0.00 0.00 54.79 50.58 3hhm n ASP 155 Cb 1.14 -0.35 -0.03 0.00 2.34 0.00 0.00 41.12 44.22 3hhm n ASP 155 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3hhm s LEU 156 N -1.12 3.44 0.00 -2.67 2.96 -0.80 -2.69 118.68 117.80 3hhm s LEU 156 Ca 0.38 -1.33 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 3hhm s LEU 156 Cb 0.20 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.33 3hhm s LEU 156 CO 0.27 -1.75 0.00 -3.20 -1.32 0.00 0.00 176.35 170.36 3hhm n ASN 157 N 9.87 -0.63 0.00 3.68 4.05 -1.26 -4.70 115.26 126.26 3hhm n ASN 157 Ca 0.35 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.38 3hhm n ASN 157 Cb 0.50 -0.16 0.00 0.00 1.23 0.00 0.00 39.78 41.35 3hhm n ASN 157 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3hhm n SER 158 N -0.39 0.00 -0.04 1.20 2.88 -1.09 -2.48 113.62 113.69 3hhm n SER 158 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3hhm n SER 158 Cb 0.16 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.55 3hhm n SER 158 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hhm h PRO 159 N 0.00 0.72 -0.07 -1.46 0.13 -1.92 -3.17 132.00 126.22 3hhm h PRO 159 Ca 0.00 -0.55 -0.10 0.00 -0.87 0.00 0.00 66.00 64.47 3hhm h PRO 159 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.24 3hhm h PRO 159 CO 0.00 1.17 -0.35 1.25 -0.23 0.00 0.00 178.00 179.84 3hhm h HIS 160 N 0.43 0.50 0.00 1.56 6.17 -1.87 -2.73 115.15 119.21 3hhm h HIS 160 Ca -0.03 -0.22 -0.04 0.00 0.71 0.00 0.00 60.37 60.79 3hhm h HIS 160 Cb 1.26 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 31.10 3hhm h HIS 160 CO 0.09 0.96 -0.19 0.66 0.71 0.00 0.00 177.93 180.17 3hhm h SER 161 N -0.10 0.00 0.45 3.26 4.64 -1.64 -0.25 113.55 119.91 3hhm h SER 161 Ca -0.02 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 3hhm h SER 161 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3hhm h SER 161 CO 0.07 0.19 -0.86 0.03 -0.87 0.00 0.00 176.83 175.40 3hhm h ARG 162 N 0.00 0.29 -0.20 4.77 3.08 -1.52 -2.72 114.38 118.07 3hhm h ARG 162 Ca -0.00 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3hhm h ARG 162 Cb 0.43 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3hhm h ARG 162 CO 0.02 0.99 0.03 0.00 -1.07 0.00 0.00 179.97 179.94 3hhm h ALA 163 N 0.92 0.27 -0.76 0.04 0.00 -1.06 -2.73 119.26 115.93 3hhm h ALA 163 Ca -0.05 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hhm h ALA 163 Cb 1.47 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3hhm h ALA 163 CO 0.14 -0.06 0.50 0.52 0.00 0.00 0.00 179.25 180.35 3hhm h MET 164 N 0.13 0.74 -0.01 0.00 2.86 -1.08 0.71 114.93 118.28 3hhm h MET 164 Ca 0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hhm h MET 164 Cb 0.32 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hhm h MET 164 CO 0.00 0.49 -0.00 -0.92 1.06 0.00 0.00 176.91 177.54 3hhm h TYR 165 N 0.76 0.02 -0.05 -0.22 3.20 -1.44 -2.74 116.97 116.49 3hhm h TYR 165 Ca 0.34 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.97 3hhm h TYR 165 Cb 0.33 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.61 3hhm h TYR 165 CO -0.00 0.42 -0.90 0.28 -1.64 0.00 0.00 178.16 176.32 3hhm h VAL 166 N -0.38 1.32 -2.97 1.81 2.07 -1.10 -1.56 116.25 115.45 3hhm h VAL 166 Ca 0.00 -2.20 -0.62 0.00 0.82 0.00 0.00 66.70 64.71 3hhm h VAL 166 Cb 0.42 2.24 -0.41 0.00 -1.52 0.00 0.00 31.29 32.01 3hhm h VAL 166 CO 0.00 0.68 -0.64 -0.31 0.02 0.00 0.00 177.57 177.32 3hhm s TYR 167 N -3.47 3.15 0.39 1.57 1.51 0.24 -4.78 117.35 115.95 3hhm s TYR 167 Ca -0.08 -3.17 -0.24 0.00 -1.01 0.00 0.00 57.07 52.57 3hhm s TYR 167 Cb 0.08 -2.41 -0.09 0.00 -0.11 0.00 0.00 41.96 39.43 3hhm s TYR 167 CO 0.89 -0.59 1.02 -2.14 -1.11 0.00 0.00 175.55 173.62 3hhm s PRO 168 N -1.19 4.25 0.10 -1.71 0.02 -1.03 -4.45 135.00 130.98 3hhm s PRO 168 Ca 0.26 1.45 -0.33 0.00 0.02 0.00 0.00 61.00 62.40 3hhm s PRO 168 Cb -0.03 -2.56 -0.12 0.00 0.02 0.00 0.00 34.50 31.81 3hhm s PRO 168 CO -0.17 -0.05 1.77 -0.35 -0.33 0.00 0.00 177.00 177.86 3hhm n PRO 169 N 0.00 2.49 -2.99 5.54 -0.04 -1.26 -4.79 135.00 133.95 3hhm n PRO 169 Ca 0.05 0.91 -0.44 0.00 -0.04 0.00 0.00 63.50 63.97 3hhm n PRO 169 Cb 0.50 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3hhm n PRO 169 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3hhm s ASN 170 N 2.36 6.63 0.05 3.54 2.47 -1.26 -4.98 114.94 123.75 3hhm s ASN 170 Ca 0.83 -2.11 0.04 0.00 0.42 0.00 0.00 52.86 52.03 3hhm s ASN 170 Cb -0.58 -2.37 -0.02 0.00 -1.45 0.00 0.00 41.25 36.83 3hhm s ASN 170 CO 0.40 -0.99 -0.11 0.54 -3.72 0.00 0.00 177.10 173.21 3hhm s VAL 171 N 2.31 0.87 0.89 -5.21 0.11 -1.26 -1.62 120.40 116.49 3hhm s VAL 171 Ca 0.30 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 58.14 3hhm s VAL 171 Cb -0.06 -0.85 0.12 0.00 -1.53 0.00 0.00 36.38 34.06 3hhm s VAL 171 CO -0.09 -0.20 1.09 -1.61 -3.33 0.00 0.00 175.10 170.96 3hhm s GLU 172 N -1.44 1.32 0.26 1.54 0.41 0.89 -4.74 118.70 116.93 3hhm s GLU 172 Ca -0.04 0.77 0.15 0.00 -0.41 0.00 0.00 54.97 55.44 3hhm s GLU 172 Cb -0.09 -1.82 0.04 0.00 -1.78 0.00 0.00 34.13 30.48 3hhm s GLU 172 CO 0.01 -2.19 1.40 0.66 -0.49 0.00 0.00 175.26 174.66 3hhm h SER 173 N -1.51 0.00 -4.18 -0.19 4.64 -1.99 -3.45 113.55 106.88 3hhm h SER 173 Ca -0.49 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.13 3hhm h SER 173 Cb 1.28 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.07 3hhm h SER 173 CO 0.55 0.54 -0.87 -0.55 -0.87 0.00 0.00 176.83 175.63 3hhm s SER 174 N -6.44 3.18 0.20 4.97 0.15 -1.26 -5.02 113.70 109.48 3hhm s SER 174 Ca 0.03 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 3hhm s SER 174 Cb 0.08 -0.71 0.14 0.00 -1.71 0.00 0.00 66.02 63.81 3hhm s SER 174 CO 0.75 0.27 1.51 1.55 1.20 0.00 0.00 173.24 178.53 3hhm h PRO 175 N 5.85 0.45 -6.82 5.44 0.13 -1.96 -3.46 132.00 131.62 3hhm h PRO 175 Ca -0.36 -0.30 -0.53 0.00 -0.87 0.00 0.00 66.00 63.94 3hhm h PRO 175 Cb 1.16 0.04 0.08 0.00 0.13 0.00 0.00 31.00 32.41 3hhm h PRO 175 CO 0.48 0.91 0.82 -1.21 -0.23 0.00 0.00 178.00 178.76 3hhm s GLU 176 N -3.87 4.18 -0.35 0.86 0.41 -1.26 -4.80 118.70 113.87 3hhm s GLU 176 Ca -0.06 2.48 -0.06 0.00 -0.41 0.00 0.00 54.97 56.91 3hhm s GLU 176 Cb 0.11 -3.04 0.05 0.00 -1.78 0.00 0.00 34.13 29.47 3hhm s GLU 176 CO 0.83 -0.53 0.12 -1.17 -0.49 0.00 0.00 175.26 174.03 3hhm s LEU 177 N -0.82 4.45 0.16 1.80 2.96 -1.26 -5.08 118.68 120.89 3hhm s LEU 177 Ca 0.59 -1.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.03 3hhm s LEU 177 Cb -0.45 -1.87 -0.14 0.00 0.50 0.00 0.00 46.19 44.22 3hhm s LEU 177 CO 0.49 -0.36 0.45 -2.65 -1.32 0.00 0.00 176.35 172.97 3hhm n PRO 178 N 4.80 0.00 -0.12 0.98 -0.01 -1.26 -4.53 135.00 134.87 3hhm n PRO 178 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 63.50 63.30 3hhm n PRO 178 Cb 0.44 -0.85 -0.01 0.00 -0.01 0.00 0.00 33.50 33.07 3hhm n PRO 178 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 175.50 176.36 3hhm h LYS 179 N 0.90 -0.23 0.00 -0.52 1.79 -1.95 -1.22 116.57 115.35 3hhm h LYS 179 Ca -0.24 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 3hhm h LYS 179 Cb 1.19 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3hhm h LYS 179 CO 0.47 -0.15 -0.06 1.12 -1.08 0.00 0.00 179.45 179.75 3hhm h HIS 180 N -0.24 0.00 0.05 -1.35 2.07 -1.89 0.11 115.15 113.89 3hhm h HIS 180 Ca 0.18 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.52 3hhm h HIS 180 Cb 0.53 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 3hhm h HIS 180 CO -0.52 0.06 -0.92 0.82 -3.07 0.00 0.00 177.93 174.30 3hhm h ILE 181 N 0.00 1.24 -0.53 6.12 2.04 -1.60 -3.26 117.51 121.52 3hhm h ILE 181 Ca -0.00 -2.32 0.10 0.00 1.00 0.00 0.00 64.86 63.64 3hhm h ILE 181 Cb 0.26 2.78 -0.09 0.00 -0.74 0.00 0.00 36.82 39.03 3hhm h ILE 181 CO 0.01 0.55 0.00 0.22 0.00 0.00 0.00 178.15 178.93 3hhm h TYR 182 N -0.74 -0.03 -0.01 1.37 5.03 -0.88 -1.97 116.97 119.74 3hhm h TYR 182 Ca -0.22 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.13 3hhm h TYR 182 Cb 1.38 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 39.76 3hhm h TYR 182 CO 0.17 -0.12 0.03 -0.91 -1.32 0.00 0.00 178.16 176.00 3hhm h ASN 183 N 0.12 0.00 0.79 -2.11 4.21 -0.93 0.78 115.58 118.44 3hhm h ASN 183 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 3hhm h ASN 183 Cb 0.41 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 3hhm h ASN 183 CO -0.44 0.00 0.00 0.11 -1.29 0.00 0.00 177.43 175.81 3hhm h LYS 184 N 0.00 0.00 0.01 0.81 1.57 -1.39 -2.89 116.57 114.68 3hhm h LYS 184 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 3hhm h LYS 184 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3hhm h LYS 184 CO -0.00 0.00 -0.91 -0.07 -0.57 0.00 0.00 179.45 177.90 3hhm h LEU 185 N 0.00 0.03 0.95 2.94 3.38 -0.95 -3.49 115.31 118.17 3hhm h LEU 185 Ca 0.00 -0.68 -0.30 0.00 0.09 0.00 0.00 57.88 56.99 3hhm h LEU 185 Cb 0.39 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 3hhm h LEU 185 CO 0.00 1.36 -0.28 0.47 0.09 0.00 0.00 178.44 180.08 3hhm n ASP 186 N -4.44 -4.14 0.00 -0.43 8.00 -1.02 -4.49 116.55 110.02 3hhm n ASP 186 Ca -0.25 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3hhm n ASP 186 Cb 0.64 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 3hhm n ASP 186 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3hhm n LYS 187 N -1.89 1.41 -1.03 -1.24 0.00 -1.26 -5.00 118.16 109.15 3hhm n LYS 187 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 3hhm n LYS 187 Cb 0.51 -0.12 0.00 0.00 -0.00 0.00 0.00 35.03 35.42 3hhm n LYS 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hhm n GLY 188 N 0.00 0.58 3.27 2.58 0.00 -1.26 -5.06 105.19 105.29 3hhm n GLY 188 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 3hhm n GLY 188 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hhm s GLN 189 N -2.13 0.98 0.07 1.61 -2.07 -1.26 -2.34 119.66 114.51 3hhm s GLN 189 Ca 0.00 -0.86 0.05 0.00 -1.82 0.00 0.00 55.36 52.74 3hhm s GLN 189 Cb 0.00 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 3hhm s GLN 189 CO 0.00 -0.35 -0.15 -1.50 -1.32 0.00 0.00 175.29 171.97 3hhm s ILE 190 N -3.84 1.18 -0.27 3.63 2.07 0.15 -4.77 121.20 119.35 3hhm s ILE 190 Ca 0.05 -1.25 -0.11 0.00 -1.41 0.00 0.00 60.65 57.93 3hhm s ILE 190 Cb 0.03 -1.11 -0.05 0.00 0.13 0.00 0.00 42.46 41.47 3hhm s ILE 190 CO -0.11 -0.14 0.21 -0.63 -1.91 0.00 0.00 174.94 172.35 3hhm s ILE 191 N -1.15 5.31 0.04 2.00 1.01 -1.26 -1.06 121.20 126.09 3hhm s ILE 191 Ca -0.00 0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.96 3hhm s ILE 191 Cb -0.09 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3hhm s ILE 191 CO 0.02 0.27 -0.23 -0.69 0.00 0.00 0.00 174.94 174.31 3hhm s VAL 192 N 1.59 1.85 -0.15 2.92 1.01 -0.53 -4.11 120.40 122.98 3hhm s VAL 192 Ca 0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 3hhm s VAL 192 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3hhm s VAL 192 CO 0.09 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.77 3hhm s VAL 193 N -0.79 4.18 -0.18 2.92 1.01 0.11 -1.34 120.40 126.31 3hhm s VAL 193 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3hhm s VAL 193 Cb -0.09 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3hhm s VAL 193 CO 0.02 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 174.82 3hhm s ILE 194 N 0.15 2.37 -0.07 2.22 1.01 0.09 -0.85 121.20 126.13 3hhm s ILE 194 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3hhm s ILE 194 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3hhm s ILE 194 CO 0.02 0.52 -0.04 0.26 0.00 0.00 0.00 174.94 175.70 3hhm s TRP 195 N 1.19 3.03 -0.05 3.97 0.52 0.97 -0.91 118.94 127.66 3hhm s TRP 195 Ca 0.02 0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.25 3hhm s TRP 195 Cb -0.14 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3hhm s TRP 195 CO -0.08 0.39 -0.11 0.08 0.02 0.00 0.00 176.95 177.26 3hhm s VAL 196 N -0.87 0.96 -0.35 4.03 1.01 -0.85 -0.53 120.40 123.80 3hhm s VAL 196 Ca 0.13 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 3hhm s VAL 196 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3hhm s VAL 196 CO 0.03 0.31 0.71 -0.63 0.00 0.00 0.00 175.10 175.51 3hhm s ILE 197 N 0.47 4.82 0.24 2.22 -1.09 -1.26 -2.87 121.20 123.72 3hhm s ILE 197 Ca -0.09 0.77 0.01 0.00 -2.23 0.00 0.00 60.65 59.11 3hhm s ILE 197 Cb -0.13 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 3hhm s ILE 197 CO 0.02 -0.35 0.42 -0.69 -1.23 0.00 0.00 174.94 173.10 3hhm s VAL 198 N 2.89 5.20 0.00 2.92 1.01 -0.42 -4.98 120.40 127.02 3hhm s VAL 198 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3hhm s VAL 198 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3hhm s VAL 198 CO 0.15 -0.29 0.00 -1.54 0.00 0.00 0.00 175.10 173.42 3hhm n SER 199 N -1.08 0.00 0.00 3.32 3.41 -1.26 -3.56 113.62 114.45 3hhm n SER 199 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3hhm n SER 199 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3hhm n SER 199 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3hhm n PRO 200 N 0.00 0.00 0.00 4.33 -0.02 -1.26 -4.05 135.00 134.00 3hhm n PRO 200 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hhm n PRO 200 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hhm n PRO 200 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hhm n ASN 201 N -0.27 0.00 -2.09 2.55 4.13 -1.23 -4.76 115.26 113.59 3hhm n ASN 201 Ca 0.00 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.26 3hhm n ASN 201 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3hhm n ASN 201 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3hhm n ASN 202 N -0.75 -0.78 -4.78 6.41 6.94 -1.24 -4.90 115.26 116.17 3hhm n ASN 202 Ca 0.00 0.36 -0.36 0.00 -0.02 0.00 0.00 54.58 54.56 3hhm n ASN 202 Cb 0.00 -0.91 -0.03 0.00 -2.36 0.00 0.00 39.78 36.49 3hhm n ASN 202 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3hhm s ASP 203 N -1.73 6.47 -0.40 0.53 -1.08 -1.25 -4.84 116.67 114.37 3hhm s ASP 203 Ca 0.00 2.12 0.03 0.00 -0.52 0.00 0.00 52.55 54.18 3hhm s ASP 203 Cb 0.00 -2.59 0.12 0.00 -1.46 0.00 0.00 42.92 38.99 3hhm s ASP 203 CO 0.00 -0.69 0.15 -0.54 0.52 0.00 0.00 175.17 174.61 3hhm s LYS 204 N -2.68 1.43 0.43 4.34 1.02 -1.26 -1.31 119.74 121.72 3hhm s LYS 204 Ca 0.61 -1.96 -0.21 0.00 0.02 0.00 0.00 55.97 54.43 3hhm s LYS 204 Cb -0.24 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 3hhm s LYS 204 CO 0.29 -1.04 0.98 -0.65 -0.92 0.00 0.00 175.35 174.01 3hhm s GLN 205 N 0.60 4.13 0.20 1.68 -0.21 -1.14 -4.94 119.66 119.99 3hhm s GLN 205 Ca 0.14 1.24 0.07 0.00 0.02 0.00 0.00 55.36 56.82 3hhm s GLN 205 Cb -0.22 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 3hhm s GLN 205 CO -0.07 -0.13 -0.12 -1.59 -2.12 0.00 0.00 175.29 171.27 3hhm s LYS 206 N -3.04 1.30 -0.04 2.91 -2.85 -1.26 -2.01 119.74 114.75 3hhm s LYS 206 Ca 0.62 -1.59 -0.01 0.00 -1.00 0.00 0.00 55.97 53.99 3hhm s LYS 206 Cb -0.13 -0.98 0.03 0.00 -2.06 0.00 0.00 37.83 34.69 3hhm s LYS 206 CO 0.17 0.13 0.03 0.71 0.10 0.00 0.00 175.35 176.49 3hhm s TYR 207 N -3.08 0.25 -0.22 1.78 1.51 -0.09 -4.96 117.35 112.54 3hhm s TYR 207 Ca 0.22 0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 56.21 3hhm s TYR 207 Cb 0.01 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 3hhm s TYR 207 CO 0.06 -0.21 0.49 0.99 -1.11 0.00 0.00 175.55 175.77 3hhm s THR 208 N 1.87 5.12 0.11 -0.71 2.01 -1.26 -0.73 115.64 122.04 3hhm s THR 208 Ca 0.02 0.87 0.10 0.00 0.31 0.00 0.00 61.69 62.99 3hhm s THR 208 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3hhm s THR 208 CO -0.03 0.17 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.05 3hhm s LEU 209 N 1.76 2.33 -0.20 4.42 1.43 -0.45 -5.00 118.68 122.98 3hhm s LEU 209 Ca 0.22 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3hhm s LEU 209 Cb -0.15 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3hhm s LEU 209 CO 0.09 0.20 -0.16 -0.75 0.23 0.00 0.00 176.35 175.96 3hhm s LYS 210 N -1.89 2.99 0.04 1.70 2.20 -1.26 -1.46 119.74 122.05 3hhm s LYS 210 Ca 0.14 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3hhm s LYS 210 Cb -0.10 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 3hhm s LYS 210 CO 0.06 -0.25 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.25 3hhm s ILE 211 N 1.31 0.27 0.14 5.43 1.10 -0.23 -4.94 121.20 124.29 3hhm s ILE 211 Ca 0.04 -1.22 -0.31 0.00 -0.51 0.00 0.00 60.65 58.65 3hhm s ILE 211 Cb -0.14 -0.71 -0.10 0.00 0.15 0.00 0.00 42.46 41.66 3hhm s ILE 211 CO -0.10 -0.61 1.63 0.20 -2.11 0.00 0.00 174.94 173.95 3hhm s ASN 212 N -1.92 6.55 0.60 4.50 0.01 -1.26 0.33 114.94 123.76 3hhm s ASN 212 Ca -0.08 2.62 0.28 0.00 -0.71 0.00 0.00 52.86 54.98 3hhm s ASN 212 Cb -0.05 -2.58 1.45 0.00 0.41 0.00 0.00 41.25 40.48 3hhm s ASN 212 CO -0.03 -0.87 1.86 1.12 -1.51 0.00 0.00 177.10 177.66 3hhm h HIS 213 N 7.36 0.00 -0.56 2.20 2.07 -1.79 -0.43 115.15 124.00 3hhm h HIS 213 Ca -0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 3hhm h HIS 213 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3hhm h HIS 213 CO 0.69 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.15 3hhm n ASP 214 N -3.52 5.04 -4.74 3.10 5.75 -1.26 -1.54 116.55 119.36 3hhm n ASP 214 Ca 0.07 -2.69 -0.41 0.00 -0.01 0.00 0.00 54.79 51.75 3hhm n ASP 214 Cb 0.67 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 3hhm n ASP 214 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hhm s VAL 216 N -0.15 3.52 0.31 0.00 -7.23 -1.26 0.47 120.40 116.05 3hhm s VAL 216 Ca 0.55 0.59 0.04 0.00 -1.81 0.00 0.00 61.98 61.34 3hhm s VAL 216 Cb -0.37 -3.14 0.29 0.00 0.56 0.00 0.00 36.38 33.73 3hhm s VAL 216 CO 0.40 -0.55 1.86 -0.65 -0.31 0.00 0.00 175.10 175.86 3hhm h PRO 217 N -0.45 0.88 -0.99 4.82 0.11 -1.80 -0.29 132.00 134.28 3hhm h PRO 217 Ca -0.45 -0.05 0.25 0.00 0.11 0.00 0.00 66.00 65.86 3hhm h PRO 217 Cb 1.23 -0.20 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 3hhm h PRO 217 CO 0.54 0.58 0.56 1.49 -0.21 0.00 0.00 178.00 180.97 3hhm h GLU 218 N 0.91 0.51 0.00 1.05 4.57 -1.91 -1.68 114.58 118.02 3hhm h GLU 218 Ca 0.46 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.46 3hhm h GLU 218 Cb 0.50 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3hhm h GLU 218 CO -0.22 0.33 -0.83 1.96 -1.18 0.00 0.00 179.01 179.07 3hhm h GLN 219 N 0.52 0.00 -0.23 1.92 4.20 -1.41 -1.04 115.11 119.07 3hhm h GLN 219 Ca 0.64 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.30 3hhm h GLN 219 Cb 1.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 3hhm h GLN 219 CO -0.50 0.56 -0.05 0.28 -0.67 0.00 0.00 178.83 178.45 3hhm h VAL 220 N 0.00 1.28 -0.80 -0.54 2.07 -1.23 -1.27 116.25 115.77 3hhm h VAL 220 Ca -0.05 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.45 3hhm h VAL 220 Cb 1.53 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 3hhm h VAL 220 CO 0.08 0.32 0.52 0.40 0.02 0.00 0.00 177.57 178.91 3hhm h ILE 221 N 0.18 1.17 -0.85 4.57 2.04 -1.27 -0.85 117.51 122.50 3hhm h ILE 221 Ca 0.06 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3hhm h ILE 221 Cb 0.51 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3hhm h ILE 221 CO 0.02 0.19 0.56 0.00 0.00 0.00 0.00 178.15 178.93 3hhm h ALA 222 N 1.31 1.09 0.00 1.87 0.00 -1.10 0.21 119.26 122.64 3hhm h ALA 222 Ca 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3hhm h ALA 222 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3hhm h ALA 222 CO -0.08 0.47 -0.27 1.49 0.00 0.00 0.00 179.25 180.86 3hhm h GLU 223 N 1.14 0.00 0.02 0.00 4.57 -0.71 -1.54 114.58 118.07 3hhm h GLU 223 Ca 0.32 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.26 3hhm h GLU 223 Cb -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3hhm h GLU 223 CO -0.08 0.27 -0.99 0.00 -1.18 0.00 0.00 179.01 177.04 3hhm h ALA 224 N 1.73 0.32 0.26 2.92 0.00 0.05 -2.12 119.26 122.42 3hhm h ALA 224 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3hhm h ALA 224 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hhm h ALA 224 CO 0.03 0.83 -0.12 0.82 0.00 0.00 0.00 179.25 180.81 3hhm h ILE 225 N 0.22 0.80 -0.92 0.00 2.04 -0.80 -2.56 117.51 116.28 3hhm h ILE 225 Ca -0.09 -0.50 0.18 0.00 1.00 0.00 0.00 64.86 65.45 3hhm h ILE 225 Cb 1.63 1.08 -0.11 0.00 -0.74 0.00 0.00 36.82 38.69 3hhm h ILE 225 CO 0.17 0.11 0.50 0.03 0.00 0.00 0.00 178.15 178.96 3hhm h ARG 226 N -0.61 0.62 0.43 2.37 3.08 -1.31 0.88 114.38 119.84 3hhm h ARG 226 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3hhm h ARG 226 Cb 0.44 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hhm h ARG 226 CO 0.06 0.41 -0.21 0.87 -1.07 0.00 0.00 179.97 180.03 3hhm h LYS 227 N 0.64 -0.56 -0.75 0.04 1.57 -1.33 -2.16 116.57 114.01 3hhm h LYS 227 Ca 0.53 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.37 3hhm h LYS 227 Cb 0.85 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3hhm h LYS 227 CO -0.40 -0.32 0.49 -0.22 -0.57 0.00 0.00 179.45 178.43 3hhm h LYS 228 N -0.69 0.95 0.00 3.15 3.11 -0.94 -2.53 116.57 119.63 3hhm h LYS 228 Ca -0.06 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.66 3hhm h LYS 228 Cb 0.50 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 3hhm h LYS 228 CO 0.10 0.63 -0.28 1.15 -2.81 0.00 0.00 179.45 178.24 3hhm h THR 229 N 0.98 0.89 -0.46 1.00 2.02 -0.86 -2.96 112.91 113.52 3hhm h THR 229 Ca 0.28 -1.10 0.09 0.00 0.77 0.00 0.00 66.41 66.46 3hhm h THR 229 Cb -0.07 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.90 3hhm h THR 229 CO -0.08 0.28 -0.16 -0.09 0.37 0.00 0.00 175.52 175.84 3hhm h ARG 230 N 0.00 -0.05 -0.24 6.66 2.43 -0.93 -2.44 114.38 119.81 3hhm h ARG 230 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hhm h ARG 230 Cb 0.63 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3hhm h ARG 230 CO 0.04 -0.03 0.17 0.66 -1.51 0.00 0.00 179.97 179.29 3hhm h SER 231 N -0.05 0.12 -0.06 -3.80 4.64 -1.64 -1.47 113.55 111.28 3hhm h SER 231 Ca 0.22 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hhm h SER 231 Cb 0.39 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hhm h SER 231 CO -0.50 0.08 0.00 0.23 -0.87 0.00 0.00 176.83 175.76 3hhm n MET 232 N -4.49 1.22 0.00 4.77 2.81 -0.92 -4.97 117.12 115.54 3hhm n MET 232 Ca 0.02 -0.34 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 3hhm n MET 232 Cb 0.22 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 3hhm n MET 232 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hhm n LEU 233 N -0.39 0.00 -1.07 4.03 4.77 -0.56 -4.96 117.00 118.82 3hhm n LEU 233 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3hhm n LEU 233 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3hhm n LEU 233 CO 0.09 0.00 -0.32 0.18 -1.33 0.00 0.00 177.39 176.01 3hhm n LEU 234 N 0.00 -1.48 -4.79 2.23 4.77 -1.26 -4.66 117.00 111.81 3hhm n LEU 234 Ca 0.00 2.00 -0.35 0.00 -0.03 0.00 0.00 56.01 57.63 3hhm n LEU 234 Cb 0.00 -1.74 -0.03 0.00 -2.33 0.00 0.00 43.42 39.32 3hhm n LEU 234 CO 0.00 -0.13 0.73 -0.94 -1.33 0.00 0.00 177.39 175.73 3hhm s SER 235 N -3.80 6.35 0.95 -1.43 1.04 -1.26 -4.82 113.70 110.73 3hhm s SER 235 Ca 0.00 1.99 -0.10 0.00 0.48 0.00 0.00 55.95 58.32 3hhm s SER 235 Cb 0.00 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.72 3hhm s SER 235 CO 0.00 -0.78 1.13 -0.94 0.98 0.00 0.00 173.24 173.63 3hhm s SER 236 N -1.85 2.58 0.00 7.02 1.04 -1.26 -0.38 113.70 120.85 3hhm s SER 236 Ca 0.66 2.13 0.00 0.00 0.48 0.00 0.00 55.95 59.22 3hhm s SER 236 Cb -0.19 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3hhm s SER 236 CO 0.23 -3.31 0.00 -1.84 0.98 0.00 0.00 173.24 169.30 3hhm n GLU 237 N -4.36 0.00 -0.07 4.02 0.28 -1.26 -4.43 120.64 114.82 3hhm n GLU 237 Ca 0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.97 3hhm n GLU 237 Cb 0.52 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.33 3hhm n GLU 237 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 3hhm h GLN 238 N 0.00 0.57 -0.36 3.44 4.20 -1.84 0.16 115.11 121.27 3hhm h GLN 238 Ca 0.00 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.45 3hhm h GLN 238 Cb 0.00 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.74 3hhm h GLN 238 CO 0.00 0.93 -0.08 1.25 -0.67 0.00 0.00 178.83 180.26 3hhm h LEU 239 N 0.24 -0.31 -0.70 1.46 7.12 -0.93 0.37 115.31 122.55 3hhm h LEU 239 Ca 0.02 0.11 -0.12 0.00 0.13 0.00 0.00 57.88 58.01 3hhm h LEU 239 Cb 0.87 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 3hhm h LEU 239 CO 0.07 -0.11 -0.34 0.50 -0.13 0.00 0.00 178.44 178.43 3hhm h LYS 240 N 0.01 0.61 -0.12 1.25 3.11 -1.81 -2.60 116.57 117.04 3hhm h LYS 240 Ca 0.17 -0.28 -0.15 0.00 -2.81 0.00 0.00 60.65 57.58 3hhm h LYS 240 Cb 0.26 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 3hhm h LYS 240 CO -0.36 0.87 -0.58 1.25 -2.81 0.00 0.00 179.45 177.82 3hhm h LEU 241 N 0.52 0.42 0.38 5.20 7.12 -0.45 -2.77 115.31 125.73 3hhm h LEU 241 Ca 0.06 -0.23 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 3hhm h LEU 241 Cb 0.83 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 3hhm h LEU 241 CO 0.07 0.91 -0.18 0.00 -0.13 0.00 0.00 178.44 179.10 3hhm h VAL 243 N -0.74 0.53 -0.80 0.00 2.07 -1.55 -2.26 116.25 113.50 3hhm h VAL 243 Ca -0.05 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.67 3hhm h VAL 243 Cb 0.51 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3hhm h VAL 243 CO 0.09 0.00 0.56 0.25 0.02 0.00 0.00 177.57 178.48 3hhm h LEU 244 N -0.36 0.19 -2.18 2.57 5.85 -1.48 -1.57 115.31 118.33 3hhm h LEU 244 Ca 0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hhm h LEU 244 Cb 0.41 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3hhm h LEU 244 CO -0.15 0.08 0.00 1.21 -0.34 0.00 0.00 178.44 179.24 3hhm n GLU 245 N -4.40 1.93 0.00 1.25 2.13 -0.80 -4.57 120.64 116.18 3hhm n GLU 245 Ca 0.16 -1.82 0.00 0.00 0.66 0.00 0.00 57.16 56.17 3hhm n GLU 245 Cb 0.74 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 31.12 3hhm n GLU 245 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hhm n TYR 246 N 0.89 0.00 -0.40 4.31 4.02 -0.88 -4.81 117.16 120.29 3hhm n TYR 246 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.92 3hhm n TYR 246 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.68 3hhm n TYR 246 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3hhm n GLN 247 N -0.57 -0.39 -0.09 -0.72 6.02 -0.64 -1.20 117.38 119.80 3hhm n GLN 247 Ca 0.00 1.48 0.01 0.00 -0.01 0.00 0.00 57.00 58.48 3hhm n GLN 247 Cb 0.00 -2.17 0.04 0.00 1.02 0.00 0.00 30.24 29.13 3hhm n GLN 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hhm n GLY 248 N -1.28 1.06 0.32 1.08 0.00 -1.26 -3.29 105.19 101.82 3hhm n GLY 248 Ca 0.03 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3hhm n GLY 248 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hhm n LYS 249 N -0.02 1.70 -4.42 1.61 5.02 -0.34 -4.96 118.16 116.75 3hhm n LYS 249 Ca 0.03 -0.79 -0.21 0.00 -2.02 0.00 0.00 58.31 55.32 3hhm n LYS 249 Cb 0.28 -1.17 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 3hhm n LYS 249 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hhm s TYR 250 N -1.44 1.91 0.01 2.13 2.02 -1.21 -2.39 117.35 118.39 3hhm s TYR 250 Ca 0.11 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 3hhm s TYR 250 Cb 0.10 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.56 3hhm s TYR 250 CO 0.27 0.25 -0.01 -1.50 -1.57 0.00 0.00 175.55 172.99 3hhm s ILE 251 N -3.05 0.06 -0.14 2.71 2.07 0.37 -4.71 121.20 118.52 3hhm s ILE 251 Ca 0.29 -0.33 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 3hhm s ILE 251 Cb 0.04 -0.12 -0.04 0.00 0.13 0.00 0.00 42.46 42.47 3hhm s ILE 251 CO 0.12 -0.17 0.10 -0.76 -1.91 0.00 0.00 174.94 172.32 3hhm s LEU 252 N -0.51 4.13 0.05 8.50 1.43 -1.26 -1.39 118.68 129.63 3hhm s LEU 252 Ca -0.05 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 3hhm s LEU 252 Cb -0.04 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3hhm s LEU 252 CO -0.00 0.32 -0.16 -0.75 0.23 0.00 0.00 176.35 175.99 3hhm s LYS 253 N -0.52 1.06 0.24 1.70 2.20 0.09 -1.51 119.74 123.00 3hhm s LYS 253 Ca 0.11 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 3hhm s LYS 253 Cb -0.12 -1.11 -0.09 0.00 -1.51 0.00 0.00 37.83 35.00 3hhm s LYS 253 CO 0.02 0.27 1.09 0.08 -0.36 0.00 0.00 175.35 176.46 3hhm s VAL 254 N -0.90 3.64 -0.07 4.02 1.01 -0.10 0.11 120.40 128.12 3hhm s VAL 254 Ca 0.03 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 3hhm s VAL 254 Cb -0.08 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3hhm s VAL 254 CO 0.02 0.34 1.31 0.00 0.00 0.00 0.00 175.10 176.77 3hhm n GLY 256 N 3.57 0.79 3.47 0.00 0.00 -1.26 -4.78 105.19 106.99 3hhm n GLY 256 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3hhm n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhm n ASP 258 N -0.38 8.22 -4.39 0.00 8.00 -0.43 -4.48 116.55 123.10 3hhm n ASP 258 Ca -0.15 -2.93 -0.32 0.00 0.71 0.00 0.00 54.79 52.10 3hhm n ASP 258 Cb 0.64 -1.43 -0.14 0.00 -0.02 0.00 0.00 41.12 40.17 3hhm n ASP 258 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hhm s GLU 259 N 0.04 2.58 0.26 -1.24 2.02 -1.26 -4.82 118.70 116.28 3hhm s GLU 259 Ca 0.60 -0.77 0.09 0.00 0.02 0.00 0.00 54.97 54.91 3hhm s GLU 259 Cb 0.19 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 3hhm s GLU 259 CO -0.09 0.51 -0.13 0.71 0.02 0.00 0.00 175.26 176.28 3hhm s TYR 260 N -0.44 2.00 -0.76 1.61 1.51 -1.26 -0.92 117.35 119.09 3hhm s TYR 260 Ca 0.05 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.59 3hhm s TYR 260 Cb -0.12 -1.00 0.34 0.00 -0.11 0.00 0.00 41.96 41.08 3hhm s TYR 260 CO 0.02 0.45 1.41 1.19 -1.11 0.00 0.00 175.55 177.51 3hhm n PHE 261 N -0.54 3.39 1.33 2.71 3.01 -0.57 -4.58 117.46 122.21 3hhm n PHE 261 Ca -0.06 -3.18 0.13 0.00 1.01 0.00 0.00 57.45 55.35 3hhm n PHE 261 Cb 0.61 -0.78 0.69 0.00 -0.01 0.00 0.00 39.48 39.99 3hhm n PHE 261 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hhm n LEU 262 N -0.24 0.00 -4.37 4.37 4.77 -1.26 -4.72 117.00 115.55 3hhm n LEU 262 Ca 0.40 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 56.38 3hhm n LEU 262 Cb 0.36 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3hhm n LEU 262 CO 0.42 -0.03 -0.49 -1.61 -1.33 0.00 0.00 177.39 174.36 3hhm s GLU 263 N -2.45 1.39 0.00 3.23 0.41 -1.26 -5.04 118.70 114.97 3hhm s GLU 263 Ca 0.28 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 3hhm s GLU 263 Cb 0.18 -1.46 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 3hhm s GLU 263 CO 0.38 0.29 1.68 1.63 -0.49 0.00 0.00 175.26 178.75 3hhm n LYS 264 N 0.06 0.91 -2.65 1.61 4.01 -1.26 -4.55 118.16 116.29 3hhm n LYS 264 Ca -0.11 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.32 3hhm n LYS 264 Cb 0.58 -1.05 -0.05 0.00 -0.51 0.00 0.00 35.03 34.00 3hhm n LYS 264 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3hhm s TYR 265 N 0.17 3.44 0.54 2.13 1.51 -1.26 -4.88 117.35 119.00 3hhm s TYR 265 Ca 0.00 1.70 -0.21 0.00 -1.01 0.00 0.00 57.07 57.55 3hhm s TYR 265 Cb 0.00 -3.04 -0.07 0.00 -0.11 0.00 0.00 41.96 38.74 3hhm s TYR 265 CO 0.00 -0.28 0.99 -0.35 -1.11 0.00 0.00 175.55 174.81 3hhm n PRO 266 N 0.18 1.11 -0.27 -1.71 -0.04 -1.26 -4.24 135.00 128.77 3hhm n PRO 266 Ca 0.04 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 3hhm n PRO 266 Cb 0.50 -2.15 0.20 0.00 -0.04 0.00 0.00 33.50 32.01 3hhm n PRO 266 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hhm h LEU 267 N 0.90 0.34 0.00 1.53 6.46 0.01 -1.26 115.31 123.29 3hhm h LEU 267 Ca -0.47 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 3hhm h LEU 267 Cb 1.35 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 3hhm h LEU 267 CO 0.53 0.13 0.00 -1.54 -0.62 0.00 0.00 178.44 176.94 3hhm n SER 268 N -4.97 0.00 0.14 1.25 3.41 -0.59 -1.99 113.62 110.87 3hhm n SER 268 Ca 0.15 -0.35 0.13 0.00 -0.26 0.00 0.00 58.87 58.54 3hhm n SER 268 Cb 0.43 -0.20 0.30 0.00 -0.26 0.00 0.00 64.21 64.48 3hhm n SER 268 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3hhm h GLN 269 N 0.00 0.00 -6.28 4.33 4.15 -1.51 -3.37 115.11 112.43 3hhm h GLN 269 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 3hhm h GLN 269 Cb 0.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3hhm h GLN 269 CO 0.00 0.00 0.86 0.71 -1.93 0.00 0.00 178.83 178.47 3hhm s TYR 270 N -3.15 2.80 0.45 3.99 1.51 -0.84 -0.08 117.35 122.03 3hhm s TYR 270 Ca 0.09 0.87 0.29 0.00 -1.01 0.00 0.00 57.07 57.31 3hhm s TYR 270 Cb 0.10 -3.60 1.38 0.00 -0.11 0.00 0.00 41.96 39.72 3hhm s TYR 270 CO 0.63 -2.18 1.69 0.87 -1.11 0.00 0.00 175.55 175.45 3hhm h LYS 271 N 8.10 0.15 -0.24 -0.62 1.57 -1.60 0.47 116.57 124.41 3hhm h LYS 271 Ca -0.34 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 3hhm h LYS 271 Cb 1.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3hhm h LYS 271 CO 0.93 0.10 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.85 3hhm h TYR 272 N 0.16 0.59 -0.14 -1.35 5.03 -1.91 -0.58 116.97 118.76 3hhm h TYR 272 Ca 0.73 -0.15 -0.02 0.00 2.58 0.00 0.00 58.73 61.87 3hhm h TYR 272 Cb 2.32 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 40.46 3hhm h TYR 272 CO -0.00 0.79 0.01 0.82 -1.32 0.00 0.00 178.16 178.46 3hhm h ILE 273 N 0.22 1.24 -0.76 1.81 5.03 -1.20 -0.08 117.51 123.76 3hhm h ILE 273 Ca 0.05 -0.77 0.05 0.00 -0.12 0.00 0.00 64.86 64.07 3hhm h ILE 273 Cb 0.64 1.46 -0.05 0.00 -3.03 0.00 0.00 36.82 35.84 3hhm h ILE 273 CO 0.04 0.23 0.46 -0.09 -0.68 0.00 0.00 178.15 178.10 3hhm h ARG 274 N 0.01 0.83 -0.95 2.37 2.43 -1.31 -0.60 114.38 117.16 3hhm h ARG 274 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hhm h ARG 274 Cb 0.33 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 3hhm h ARG 274 CO 0.01 0.55 0.58 1.03 -1.51 0.00 0.00 179.97 180.62 3hhm h SER 275 N 0.85 1.14 -0.31 -3.80 0.87 -0.91 -1.62 113.55 109.77 3hhm h SER 275 Ca 0.32 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3hhm h SER 275 Cb 0.13 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3hhm h SER 275 CO -0.16 0.87 0.20 0.00 -0.53 0.00 0.00 176.83 177.21 3hhm h ILE 277 N 0.41 0.37 -0.20 0.00 2.04 -0.93 0.31 117.51 119.51 3hhm h ILE 277 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3hhm h ILE 277 Cb -0.04 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.34 3hhm h ILE 277 CO -0.03 0.00 -0.51 0.24 0.00 0.00 0.00 178.15 177.85 3hhm h MET 278 N -0.43 -0.50 0.00 2.37 2.86 -0.85 -2.09 114.93 116.30 3hhm h MET 278 Ca 0.06 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hhm h MET 278 Cb 0.51 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hhm h MET 278 CO -0.24 -0.33 0.00 1.28 1.06 0.00 0.00 176.91 178.68 3hhm n LEU 279 N -5.43 0.21 -2.57 1.22 4.77 0.03 -4.85 117.00 110.39 3hhm n LEU 279 Ca -0.05 0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 56.33 3hhm n LEU 279 Cb 0.37 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3hhm n LEU 279 CO 0.07 -0.37 0.16 0.61 -1.33 0.00 0.00 177.39 176.53 3hhm n GLY 280 N -0.12 -0.05 3.82 -0.72 0.00 -0.59 -1.28 105.19 106.26 3hhm n GLY 280 Ca 0.03 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3hhm n GLY 280 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hhm s ARG 281 N -5.79 2.92 -0.24 1.61 1.81 -0.00 -4.48 118.95 114.78 3hhm s ARG 281 Ca 0.36 -1.03 -0.18 0.00 -1.72 0.00 0.00 55.73 53.16 3hhm s ARG 281 Cb -0.16 -2.57 -0.03 0.00 -0.45 0.00 0.00 34.95 31.74 3hhm s ARG 281 CO 0.49 0.41 0.52 1.41 -0.68 0.00 0.00 175.30 177.45 3hhm s MET 282 N -3.74 4.11 -0.12 3.54 -2.45 -1.26 -4.41 119.30 114.97 3hhm s MET 282 Ca 0.33 0.36 -0.34 0.00 -1.25 0.00 0.00 55.69 54.79 3hhm s MET 282 Cb -0.08 -3.62 -0.11 0.00 1.25 0.00 0.00 34.83 32.27 3hhm s MET 282 CO 0.25 -0.28 1.92 -2.30 1.05 0.00 0.00 175.02 175.66 3hhm n PRO 283 N 5.27 2.09 -3.59 4.11 -0.02 -1.26 -4.84 135.00 136.75 3hhm n PRO 283 Ca -0.04 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.79 3hhm n PRO 283 Cb 0.50 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 3hhm n PRO 283 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3hhm s ASN 284 N 4.54 5.79 0.12 2.55 -0.87 -1.26 -0.71 114.94 125.09 3hhm s ASN 284 Ca 0.94 -0.52 0.10 0.00 -1.57 0.00 0.00 52.86 51.81 3hhm s ASN 284 Cb -0.69 -2.06 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 3hhm s ASN 284 CO 0.51 -0.23 -0.23 -0.76 -2.57 0.00 0.00 177.10 173.82 3hhm s LEU 285 N 1.66 2.48 -0.15 0.60 1.43 -0.03 -2.53 118.68 122.14 3hhm s LEU 285 Ca 0.05 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3hhm s LEU 285 Cb -0.17 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3hhm s LEU 285 CO 0.08 0.19 -0.01 -0.32 0.23 0.00 0.00 176.35 176.52 3hhm s MET 286 N -2.02 3.59 -0.02 1.70 1.75 0.30 -0.02 119.30 124.59 3hhm s MET 286 Ca 0.15 -0.46 -0.13 0.00 -1.25 0.00 0.00 55.69 54.00 3hhm s MET 286 Cb -0.10 -2.95 -0.05 0.00 2.84 0.00 0.00 34.83 34.57 3hhm s MET 286 CO 0.07 0.34 0.36 -1.17 -0.65 0.00 0.00 175.02 173.97 3hhm s LEU 287 N 0.11 4.46 -0.21 4.11 1.98 0.31 -0.73 118.68 128.71 3hhm s LEU 287 Ca 0.01 0.87 -0.23 0.00 -2.89 0.00 0.00 54.13 51.88 3hhm s LEU 287 Cb -0.13 -2.49 0.06 0.00 0.66 0.00 0.00 46.19 44.29 3hhm s LEU 287 CO 0.02 0.34 0.64 -0.32 -1.89 0.00 0.00 176.35 175.14 3hhm s MET 288 N -1.05 0.79 0.28 1.98 1.75 -0.49 -4.67 119.30 117.91 3hhm s MET 288 Ca 0.22 0.77 -0.29 0.00 -1.25 0.00 0.00 55.69 55.13 3hhm s MET 288 Cb -0.16 0.38 -0.10 0.00 2.84 0.00 0.00 34.83 37.80 3hhm s MET 288 CO 0.12 -0.13 1.21 0.00 -0.65 0.00 0.00 175.02 175.57 3hhm s ALA 289 N 0.06 3.46 0.18 4.11 0.00 -1.26 0.14 121.76 128.44 3hhm s ALA 289 Ca -0.02 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 3hhm s ALA 289 Cb -0.04 -3.41 0.17 0.00 0.00 0.00 0.00 23.12 19.84 3hhm s ALA 289 CO 0.02 -0.40 1.73 0.87 0.00 0.00 0.00 175.76 177.98 3hhm h LYS 290 N 3.92 0.25 -1.00 0.00 1.57 -1.75 -2.19 116.57 117.36 3hhm h LYS 290 Ca -0.47 -0.02 0.22 0.00 -1.87 0.00 0.00 60.65 58.51 3hhm h LYS 290 Cb 1.22 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.36 3hhm h LYS 290 CO 0.68 0.17 0.62 0.93 -0.57 0.00 0.00 179.45 181.27 3hhm h GLU 291 N 0.26 0.62 -0.05 3.15 5.08 -1.92 0.27 114.58 121.99 3hhm h GLU 291 Ca 0.23 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 3hhm h GLU 291 Cb 0.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hhm h GLU 291 CO -0.29 0.41 -0.59 0.66 -1.00 0.00 0.00 179.01 178.21 3hhm h SER 292 N 0.64 0.18 0.02 1.42 4.64 -1.79 0.18 113.55 118.84 3hhm h SER 292 Ca 0.59 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3hhm h SER 292 Cb 1.09 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3hhm h SER 292 CO -0.38 0.72 -0.01 0.25 -0.87 0.00 0.00 176.83 176.54 3hhm h LEU 293 N 0.12 -0.02 -1.30 5.97 6.46 -1.19 -3.34 115.31 122.01 3hhm h LEU 293 Ca -0.00 -0.71 -0.00 0.00 -0.12 0.00 0.00 57.88 57.04 3hhm h LEU 293 Cb 1.07 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 3hhm h LEU 293 CO 0.09 0.73 0.37 1.88 -0.62 0.00 0.00 178.44 180.89 3hhm h TYR 294 N -0.80 0.82 0.00 1.25 0.99 -0.43 -2.13 116.97 116.67 3hhm h TYR 294 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3hhm h TYR 294 Cb 0.73 -0.27 -0.00 0.00 1.00 0.00 0.00 36.73 38.18 3hhm h TYR 294 CO 0.18 0.55 -0.11 0.66 -0.00 0.00 0.00 178.16 179.45 3hhm h SER 295 N 0.87 0.00 -0.63 3.88 4.64 -0.79 -3.12 113.55 118.41 3hhm h SER 295 Ca 0.23 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.16 3hhm h SER 295 Cb -0.03 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.84 3hhm h SER 295 CO -0.04 0.11 0.05 0.00 -0.87 0.00 0.00 176.83 176.07 3hhm n GLN 296 N -3.39 2.37 -3.70 4.77 6.02 -0.80 -4.71 117.38 117.93 3hhm n GLN 296 Ca -0.01 -3.37 -0.31 0.00 -0.01 0.00 0.00 57.00 53.30 3hhm n GLN 296 Cb 0.28 -2.04 -0.09 0.00 1.02 0.00 0.00 30.24 29.42 3hhm n GLN 296 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hhm n LEU 297 N -1.02 3.65 -4.71 1.08 4.77 -1.18 -5.05 117.00 114.54 3hhm n LEU 297 Ca 0.44 -5.24 -0.42 0.00 -0.03 0.00 0.00 56.01 50.76 3hhm n LEU 297 Cb 1.05 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3hhm n LEU 297 CO 0.39 1.76 1.10 -2.16 -1.33 0.00 0.00 177.39 177.15 3hhm s PRO 298 N -1.70 4.30 -0.07 3.23 0.04 -1.26 -4.97 135.00 134.58 3hhm s PRO 298 Ca 0.29 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 3hhm s PRO 298 Cb -0.01 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.38 3hhm s PRO 298 CO -0.12 -0.47 0.83 -1.64 0.04 0.00 0.00 177.00 175.64 3hhm s MET 299 N 1.16 0.86 0.00 4.56 -1.94 -1.26 -4.77 119.30 117.91 3hhm s MET 299 Ca 0.66 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.71 3hhm s MET 299 Cb -0.38 0.40 0.00 0.00 2.01 0.00 0.00 34.83 36.86 3hhm s MET 299 CO 0.30 -0.30 0.00 -0.40 -0.01 0.00 0.00 175.02 174.62 3hhm n ASP 300 N 0.56 0.00 -4.54 3.03 5.68 -1.26 -5.12 116.55 114.89 3hhm n ASP 300 Ca -0.14 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.74 3hhm n ASP 300 Cb 0.59 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 3hhm n ASP 300 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hhm s PHE 302 N 5.58 2.78 -0.05 0.00 5.36 -1.26 -4.84 117.98 125.54 3hhm s PHE 302 Ca 0.35 -1.61 0.06 0.00 -0.96 0.00 0.00 56.93 54.77 3hhm s PHE 302 Cb -0.08 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3hhm s PHE 302 CO 0.13 -0.79 -0.23 0.99 -1.46 0.00 0.00 175.22 173.86 3hhm s THR 303 N 1.27 2.25 0.12 0.12 2.01 -1.26 -5.10 115.64 115.05 3hhm s THR 303 Ca 0.04 -1.01 -0.31 0.00 0.31 0.00 0.00 61.69 60.73 3hhm s THR 303 Cb -0.13 -1.82 -0.10 0.00 0.01 0.00 0.00 72.50 70.46 3hhm s THR 303 CO -0.12 0.57 1.73 -0.04 -0.69 0.00 0.00 174.62 176.07 3hhm s MET 304 N -0.28 4.16 1.24 4.92 -1.94 -1.26 -5.00 119.30 121.14 3hhm s MET 304 Ca 0.00 2.48 -0.21 0.00 -1.71 0.00 0.00 55.69 56.26 3hhm s MET 304 Cb -0.13 -3.49 0.30 0.00 2.01 0.00 0.00 34.83 33.53 3hhm s MET 304 CO 0.03 -0.77 1.12 -1.25 -0.01 0.00 0.00 175.02 174.14 3hhm s PRO 305 N 2.36 -1.50 0.19 2.03 0.04 -1.26 -4.97 135.00 131.88 3hhm s PRO 305 Ca 0.77 -0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 3hhm s PRO 305 Cb -0.44 -1.58 0.17 0.00 0.04 0.00 0.00 34.50 32.69 3hhm s PRO 305 CO 0.34 -3.87 1.79 0.77 0.04 0.00 0.00 177.00 176.07 3hhm h SER 306 N -2.69 0.43 0.00 6.66 0.02 -2.00 -3.30 113.55 112.67 3hhm h SER 306 Ca -0.43 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 59.96 3hhm h SER 306 Cb 1.28 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.78 3hhm h SER 306 CO 0.29 0.29 2.81 0.00 -1.14 0.00 0.00 176.83 179.08 3hhm n TYR 307 N -4.85 2.18 -3.36 3.45 4.11 -1.26 -4.63 117.16 112.80 3hhm n TYR 307 Ca 0.06 -2.30 -0.27 0.00 -0.00 0.00 0.00 57.90 55.39 3hhm n TYR 307 Cb 0.14 -2.00 -0.10 0.00 -0.00 0.00 0.00 39.34 37.39 3hhm n TYR 307 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 3hhm n SER 308 N 5.68 -0.39 0.00 9.48 7.64 -1.24 -4.65 113.62 130.14 3hhm n SER 308 Ca 0.53 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.99 3hhm n SER 308 Cb 0.30 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3hhm n SER 308 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hhm n ARG 309 N 2.63 0.00 -3.15 1.43 1.74 -1.26 -5.11 116.66 112.94 3hhm n ARG 309 Ca 0.29 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.42 3hhm n ARG 309 Cb 0.49 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.92 3hhm n ARG 309 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hhm s GLU 321 N 0.31 0.10 0.00 5.56 2.02 -1.26 -5.22 118.70 120.21 3hhm s GLU 321 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.12 3hhm s GLU 321 Cb 0.00 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.30 3hhm s GLU 321 CO 0.00 -0.14 0.00 2.41 0.02 0.00 0.00 175.26 177.55 3hhm n THR 322 N 5.28 0.00 0.30 3.63 -1.04 -1.26 -5.07 114.28 116.11 3hhm n THR 322 Ca 0.01 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.17 3hhm n THR 322 Cb 0.56 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.56 3hhm n THR 322 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3hhm h SER 323 N 0.00 0.00 0.00 8.00 0.87 -1.99 -3.48 113.55 116.95 3hhm h SER 323 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hhm h SER 323 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3hhm h SER 323 CO 0.00 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 176.65 3hhm n THR 324 N -2.95 0.00 -3.50 2.23 -2.24 -1.23 -4.78 114.28 101.80 3hhm n THR 324 Ca 0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 3hhm n THR 324 Cb 0.38 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 3hhm n THR 324 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hhm s LYS 325 N 0.00 3.58 0.22 -0.78 1.02 0.88 -4.97 119.74 119.69 3hhm s LYS 325 Ca 0.00 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 3hhm s LYS 325 Cb 0.00 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 3hhm s LYS 325 CO 0.00 0.30 0.81 0.45 -0.92 0.00 0.00 175.35 175.99 3hhm s SER 326 N -3.17 7.30 0.28 2.83 0.15 -1.26 -0.72 113.70 119.11 3hhm s SER 326 Ca 0.41 1.64 0.03 0.00 0.70 0.00 0.00 55.95 58.73 3hhm s SER 326 Cb -0.11 -2.50 0.69 0.00 -1.71 0.00 0.00 66.02 62.39 3hhm s SER 326 CO 0.30 0.09 1.70 0.25 1.20 0.00 0.00 173.24 176.78 3hhm h LEU 327 N 3.77 0.32 -3.37 3.45 5.85 -0.13 -2.48 115.31 122.73 3hhm h LEU 327 Ca -0.47 0.15 -0.34 0.00 0.84 0.00 0.00 57.88 58.06 3hhm h LEU 327 Cb 1.20 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 42.19 3hhm h LEU 327 CO 0.66 0.02 0.44 -2.67 -0.34 0.00 0.00 178.44 176.54 3hhm n TRP 328 N -5.04 1.75 -0.00 1.25 2.14 -1.26 -2.53 117.44 113.76 3hhm n TRP 328 Ca 0.21 -1.77 0.00 0.00 2.07 0.00 0.00 57.50 58.01 3hhm n TRP 328 Cb 0.62 -0.87 -0.00 0.00 -0.81 0.00 0.00 31.31 30.24 3hhm n TRP 328 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 3hhm n VAL 329 N -0.06 0.00 -2.20 -1.67 0.31 -0.93 -4.97 118.33 108.81 3hhm n VAL 329 Ca 0.34 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 64.23 3hhm n VAL 329 Cb 0.81 0.49 -0.02 0.00 -0.91 0.00 0.00 33.84 34.21 3hhm n VAL 329 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hhm s ILE 330 N -2.04 3.86 -1.50 2.52 1.09 -1.05 -4.88 121.20 119.20 3hhm s ILE 330 Ca -0.00 1.01 0.15 0.00 -1.10 0.00 0.00 60.65 60.72 3hhm s ILE 330 Cb 0.00 -3.76 0.54 0.00 -1.06 0.00 0.00 42.46 38.19 3hhm s ILE 330 CO 0.02 -0.21 1.43 -3.20 -0.10 0.00 0.00 174.94 172.89 3hhm n ASN 331 N 7.52 3.56 -4.71 3.58 4.05 -1.26 -4.30 115.26 123.69 3hhm n ASN 331 Ca 0.17 -2.23 -0.23 0.00 0.45 0.00 0.00 54.58 52.74 3hhm n ASN 331 Cb 0.45 -0.46 -0.07 0.00 1.23 0.00 0.00 39.78 40.93 3hhm n ASN 331 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3hhm s SER 332 N -0.87 4.64 0.50 1.20 1.04 -1.26 -5.03 113.70 113.91 3hhm s SER 332 Ca 0.39 -0.76 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 3hhm s SER 332 Cb 0.24 -0.75 -0.08 0.00 0.10 0.00 0.00 66.02 65.53 3hhm s SER 332 CO 0.22 -0.24 1.02 0.00 0.98 0.00 0.00 173.24 175.22 3hhm s ALA 333 N -2.41 2.89 0.09 5.32 0.00 -1.26 -2.73 121.76 123.66 3hhm s ALA 333 Ca 0.36 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 3hhm s ALA 333 Cb -0.03 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 3hhm s ALA 333 CO 0.22 -0.33 1.22 -1.17 0.00 0.00 0.00 175.76 175.70 3hhm s LEU 334 N -3.69 4.38 0.05 0.00 2.96 -1.01 -4.82 118.68 116.55 3hhm s LEU 334 Ca 0.65 2.09 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 3hhm s LEU 334 Cb -0.14 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3hhm s LEU 334 CO 0.23 -0.48 -0.07 0.00 -1.32 0.00 0.00 176.35 174.72 3hhm s ARG 335 N 0.84 0.56 -0.04 1.98 1.70 -1.26 -1.72 118.95 121.00 3hhm s ARG 335 Ca 0.58 -0.87 0.01 0.00 -0.47 0.00 0.00 55.73 54.99 3hhm s ARG 335 Cb -0.31 -0.20 0.02 0.00 -0.57 0.00 0.00 34.95 33.89 3hhm s ARG 335 CO 0.31 0.02 -0.04 0.42 -1.08 0.00 0.00 175.30 174.92 3hhm s ILE 336 N -1.92 0.52 -0.19 4.99 1.01 -0.73 -4.36 121.20 120.52 3hhm s ILE 336 Ca -0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 3hhm s ILE 336 Cb -0.06 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 3hhm s ILE 336 CO -0.01 0.22 0.67 -0.75 0.00 0.00 0.00 174.94 175.07 3hhm s LYS 337 N 0.86 4.24 -0.46 2.79 2.20 0.18 -0.92 119.74 128.63 3hhm s LYS 337 Ca -0.12 0.71 -0.16 0.00 -0.36 0.00 0.00 55.97 56.04 3hhm s LYS 337 Cb -0.14 -3.57 0.06 0.00 -1.51 0.00 0.00 37.83 32.66 3hhm s LYS 337 CO 0.00 -0.24 0.40 0.42 -0.36 0.00 0.00 175.35 175.58 3hhm s ILE 338 N 1.90 5.19 0.00 5.43 -1.09 0.01 -0.99 121.20 131.65 3hhm s ILE 338 Ca 0.31 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3hhm s ILE 338 Cb -0.16 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3hhm s ILE 338 CO 0.11 -0.53 0.05 0.18 -1.23 0.00 0.00 174.94 173.52 3hhm n LEU 339 N 5.34 2.14 -3.45 2.97 4.77 -0.17 -1.09 117.00 127.50 3hhm n LEU 339 Ca -0.11 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3hhm n LEU 339 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3hhm n LEU 339 CO 0.47 0.00 0.48 0.00 -1.33 0.00 0.00 177.39 177.01 3hhm s ALA 341 N -3.31 3.16 0.09 0.00 0.00 -0.87 -1.22 121.76 119.61 3hhm s ALA 341 Ca 0.01 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 3hhm s ALA 341 Cb -0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.00 3hhm s ALA 341 CO -0.10 0.60 1.49 1.79 0.00 0.00 0.00 175.76 179.55 3hhm h THR 342 N 2.82 1.28 -1.63 0.00 1.35 -1.76 -3.40 112.91 111.56 3hhm h THR 342 Ca -0.48 -1.05 0.24 0.00 -0.55 0.00 0.00 66.41 64.58 3hhm h THR 342 Cb 1.18 1.42 -0.17 0.00 -1.73 0.00 0.00 68.15 68.85 3hhm h THR 342 CO 0.57 0.33 0.75 -0.72 -0.25 0.00 0.00 175.52 176.20 3hhm s TYR 343 N -4.81 -0.14 0.05 4.73 -0.85 -1.26 -4.90 117.35 110.16 3hhm s TYR 343 Ca -0.13 0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.50 3hhm s TYR 343 Cb 0.08 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 3hhm s TYR 343 CO 0.77 -0.30 -0.08 0.54 -1.52 0.00 0.00 175.55 174.96 3hhm s VAL 344 N -2.56 0.56 -1.20 -3.49 0.11 -1.26 -4.40 120.40 108.16 3hhm s VAL 344 Ca 0.10 -1.13 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 3hhm s VAL 344 Cb 0.00 -0.68 0.19 0.00 -1.53 0.00 0.00 36.38 34.36 3hhm s VAL 344 CO -0.05 -0.41 1.39 0.20 -3.33 0.00 0.00 175.10 172.90 3hhm s ASN 345 N -1.67 7.12 0.04 3.54 0.01 -1.26 -4.94 114.94 117.80 3hhm s ASN 345 Ca -0.09 -3.11 0.03 0.00 -0.71 0.00 0.00 52.86 48.98 3hhm s ASN 345 Cb -0.09 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 3hhm s ASN 345 CO 0.00 -0.67 -0.09 0.68 -1.51 0.00 0.00 177.10 175.52 3hhm s VAL 346 N 1.09 0.64 -0.04 1.60 -7.23 -1.26 -5.10 120.40 110.11 3hhm s VAL 346 Ca 0.41 -1.05 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 3hhm s VAL 346 Cb -0.04 -0.68 -0.09 0.00 0.56 0.00 0.00 36.38 36.13 3hhm s VAL 346 CO -0.01 -0.31 0.67 -0.55 -0.31 0.00 0.00 175.10 174.59 3hhm h ASN 347 N 4.59 -0.42 0.00 4.85 -0.00 -1.98 -3.48 115.58 119.13 3hhm h ASN 347 Ca -0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 55.90 3hhm h ASN 347 Cb 1.20 0.11 0.00 0.00 -0.00 0.00 0.00 38.32 39.63 3hhm h ASN 347 CO 0.41 0.03 0.00 0.00 -0.00 0.00 0.00 177.43 177.87 3hhm n ILE 348 N -5.11 0.00 -0.24 6.14 3.06 -1.26 -5.01 119.36 116.94 3hhm n ILE 348 Ca -0.07 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.15 3hhm n ILE 348 Cb 0.22 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.40 3hhm n ILE 348 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3hhm n ARG 349 N 0.00 -0.19 -3.71 9.51 0.63 -1.26 -3.64 116.66 118.01 3hhm n ARG 349 Ca 0.00 0.93 -0.18 0.00 -0.92 0.00 0.00 57.85 57.69 3hhm n ARG 349 Cb 0.00 -1.38 -0.17 0.00 0.45 0.00 0.00 32.46 31.36 3hhm n ARG 349 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3hhm s ASP 350 N -5.25 0.70 -0.52 6.15 3.68 -1.26 -5.06 116.67 115.11 3hhm s ASP 350 Ca -0.08 0.10 -0.16 0.00 2.13 0.00 0.00 52.55 54.54 3hhm s ASP 350 Cb 0.10 -0.07 -0.15 0.00 -1.45 0.00 0.00 42.92 41.36 3hhm s ASP 350 CO 0.42 -0.21 1.75 0.00 0.13 0.00 0.00 175.17 177.26 3hhm n ILE 351 N 4.89 1.30 0.12 4.11 3.06 -1.24 -4.53 119.36 127.08 3hhm n ILE 351 Ca -0.12 -0.96 0.01 0.00 -2.50 0.00 0.00 62.75 59.17 3hhm n ILE 351 Cb 0.50 -2.07 0.03 0.00 0.54 0.00 0.00 39.64 38.65 3hhm n ILE 351 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 3hhm n ASP 352 N 6.49 0.00 -1.20 9.51 -0.08 -1.26 -4.90 116.55 125.11 3hhm n ASP 352 Ca 0.39 -0.09 0.15 0.00 -1.51 0.00 0.00 54.79 53.73 3hhm n ASP 352 Cb 0.27 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.65 3hhm n ASP 352 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3hhm n LYS 353 N -0.76 -2.77 -4.87 -0.67 5.02 -1.26 -4.96 118.16 107.90 3hhm n LYS 353 Ca 0.01 2.26 -0.32 0.00 -2.02 0.00 0.00 58.31 58.23 3hhm n LYS 353 Cb 0.00 -3.24 -0.13 0.00 -0.02 0.00 0.00 35.03 31.65 3hhm n LYS 353 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3hhm s ILE 354 N -4.02 2.88 -0.02 -0.18 -4.36 -1.26 -4.84 121.20 109.40 3hhm s ILE 354 Ca 0.00 -0.90 -0.10 0.00 -0.26 0.00 0.00 60.65 59.39 3hhm s ILE 354 Cb 0.00 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.58 3hhm s ILE 354 CO 0.00 0.52 0.22 -0.72 0.24 0.00 0.00 174.94 175.19 3hhm s TYR 355 N -0.78 -0.09 -0.17 1.37 -0.85 -1.26 -4.25 117.35 111.32 3hhm s TYR 355 Ca 0.12 0.14 -0.22 0.00 -0.52 0.00 0.00 57.07 56.59 3hhm s TYR 355 Cb -0.11 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 3hhm s TYR 355 CO 0.02 -0.30 0.70 0.08 -1.52 0.00 0.00 175.55 174.53 3hhm s VAL 356 N -1.11 4.98 -0.14 -3.49 1.01 -1.26 -3.42 120.40 116.97 3hhm s VAL 356 Ca -0.12 1.35 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 3hhm s VAL 356 Cb -0.06 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3hhm s VAL 356 CO 0.02 0.11 0.16 -0.60 0.00 0.00 0.00 175.10 174.79 3hhm s ARG 357 N 1.83 3.74 0.11 2.72 3.52 0.88 -2.18 118.95 129.56 3hhm s ARG 357 Ca 0.33 -0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.87 3hhm s ARG 357 Cb -0.16 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3hhm s ARG 357 CO 0.12 0.60 -0.13 0.95 -0.81 0.00 0.00 175.30 176.03 3hhm s THR 358 N -0.53 1.16 -0.09 4.11 -4.23 -0.77 -0.93 115.64 114.36 3hhm s THR 358 Ca 0.14 -1.63 -0.15 0.00 -1.18 0.00 0.00 61.69 58.87 3hhm s THR 358 Cb -0.12 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.35 3hhm s THR 358 CO 0.03 -0.44 0.37 -0.83 -0.54 0.00 0.00 174.62 173.21 3hhm s GLY 359 N -2.34 -0.25 -0.22 3.99 0.00 -0.42 -1.87 107.32 106.21 3hhm s GLY 359 Ca 0.06 0.78 -0.13 0.00 0.00 0.00 0.00 44.72 45.44 3hhm s GLY 359 CO 0.02 0.60 0.25 -0.42 0.00 0.00 0.00 173.10 173.55 3hhm s ILE 360 N -0.50 5.30 0.10 0.90 1.09 -1.26 -0.88 121.20 125.95 3hhm s ILE 360 Ca -0.06 0.39 0.05 0.00 -1.10 0.00 0.00 60.65 59.92 3hhm s ILE 360 Cb -0.04 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.74 3hhm s ILE 360 CO 0.03 0.32 -0.13 -0.31 -0.10 0.00 0.00 174.94 174.75 3hhm s TYR 361 N 1.09 1.24 -0.26 3.97 1.51 0.15 -2.85 117.35 122.21 3hhm s TYR 361 Ca 0.12 -0.57 0.16 0.00 -1.01 0.00 0.00 57.07 55.77 3hhm s TYR 361 Cb -0.14 -0.67 0.48 0.00 -0.11 0.00 0.00 41.96 41.52 3hhm s TYR 361 CO 0.05 0.08 1.15 1.58 -1.11 0.00 0.00 175.55 177.30 3hhm n HIS 362 N 0.71 1.77 0.00 2.71 -0.00 -1.26 -1.18 115.22 117.97 3hhm n HIS 362 Ca -0.17 -2.05 0.00 0.00 0.46 0.00 0.00 57.72 55.96 3hhm n HIS 362 Cb 0.57 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 3hhm n HIS 362 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hhm n GLY 363 N -0.61 0.69 0.01 1.57 0.00 -1.26 -4.51 105.19 101.07 3hhm n GLY 363 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3hhm n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhm n GLY 364 N 0.00 -0.79 0.97 -0.02 0.00 -1.26 -4.96 105.19 99.13 3hhm n GLY 364 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3hhm n GLY 364 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hhm n GLU 365 N -2.10 0.00 0.00 1.61 -0.00 -1.26 -4.95 120.64 113.94 3hhm n GLU 365 Ca -0.03 0.37 0.01 0.00 -0.00 0.00 0.00 57.16 57.50 3hhm n GLU 365 Cb 0.45 -0.60 0.03 0.00 -0.00 0.00 0.00 31.44 31.33 3hhm n GLU 365 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3hhm n PRO 366 N 0.46 0.04 -3.70 3.44 -0.02 -1.13 -4.86 135.00 129.23 3hhm n PRO 366 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 3hhm n PRO 366 Cb 0.00 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 3hhm n PRO 366 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3hhm s LEU 367 N -1.93 -0.13 -0.04 2.45 2.34 -1.25 -4.80 118.68 115.32 3hhm s LEU 367 Ca 0.02 -0.29 -0.30 0.00 0.06 0.00 0.00 54.13 53.62 3hhm s LEU 367 Cb 0.01 1.83 -0.06 0.00 -0.56 0.00 0.00 46.19 47.41 3hhm s LEU 367 CO 0.01 -0.65 1.67 0.00 -1.06 0.00 0.00 176.35 176.32 3hhm s ASP 369 N 3.31 6.62 0.06 0.00 1.47 -1.26 -4.70 116.67 122.17 3hhm s ASP 369 Ca 0.74 1.16 0.02 0.00 1.18 0.00 0.00 52.55 55.66 3hhm s ASP 369 Cb -0.34 -2.33 -0.03 0.00 -0.34 0.00 0.00 42.92 39.88 3hhm s ASP 369 CO 0.30 -0.31 -0.08 0.54 0.68 0.00 0.00 175.17 176.31 3hhm s ASN 370 N -2.79 1.00 0.22 2.11 2.20 -0.78 -4.97 114.94 111.93 3hhm s ASN 370 Ca 0.52 -0.64 0.01 0.00 -0.94 0.00 0.00 52.86 51.81 3hhm s ASN 370 Cb -0.10 0.04 -0.04 0.00 -2.00 0.00 0.00 41.25 39.15 3hhm s ASN 370 CO 0.26 -0.24 0.39 0.68 -2.94 0.00 0.00 177.10 175.25 3hhm s VAL 371 N -1.77 5.22 0.69 3.54 -7.23 -1.26 -1.85 120.40 117.74 3hhm s VAL 371 Ca -0.05 -0.54 -0.05 0.00 -1.81 0.00 0.00 61.98 59.53 3hhm s VAL 371 Cb -0.07 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.16 3hhm s VAL 371 CO -0.00 -0.24 0.98 0.54 -0.31 0.00 0.00 175.10 176.07 3hhm s ASN 372 N -3.44 4.82 0.47 4.85 2.20 -0.93 -5.00 114.94 117.91 3hhm s ASN 372 Ca 0.37 0.33 -0.25 0.00 -0.94 0.00 0.00 52.86 52.37 3hhm s ASN 372 Cb -0.10 -0.98 -0.08 0.00 -2.00 0.00 0.00 41.25 38.08 3hhm s ASN 372 CO 0.30 -1.57 1.42 0.41 -2.94 0.00 0.00 177.10 174.72 3hhm n THR 373 N -2.84 3.00 -0.16 0.54 -1.04 -1.26 -4.73 114.28 107.80 3hhm n THR 373 Ca 0.09 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.58 3hhm n THR 373 Cb 0.60 -1.81 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 3hhm n THR 373 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hhm n GLN 374 N -0.35 0.31 -2.35 -2.82 6.02 -1.26 -4.76 117.38 112.16 3hhm n GLN 374 Ca 0.06 -0.11 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 3hhm n GLN 374 Cb 0.42 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 3hhm n GLN 374 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3hhm s ARG 375 N 2.11 2.99 -0.30 -1.09 6.06 -1.26 -4.78 118.95 122.68 3hhm s ARG 375 Ca 0.07 -0.00 -0.10 0.00 -2.50 0.00 0.00 55.73 53.20 3hhm s ARG 375 Cb 0.03 -4.36 0.18 0.00 0.06 0.00 0.00 34.95 30.86 3hhm s ARG 375 CO 0.00 -2.41 0.96 0.54 -2.50 0.00 0.00 175.30 171.90 3hhm s VAL 376 N 7.02 -0.43 0.24 7.11 0.11 -1.26 -4.50 120.40 128.70 3hhm s VAL 376 Ca 0.48 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.24 3hhm s VAL 376 Cb -0.09 -0.80 -0.09 0.00 -1.53 0.00 0.00 36.38 33.87 3hhm s VAL 376 CO 0.15 0.00 1.09 -2.84 -3.33 0.00 0.00 175.10 170.16 3hhm s PRO 377 N 2.93 4.64 0.46 1.54 0.02 -1.26 -4.73 135.00 138.61 3hhm s PRO 377 Ca 0.10 1.75 0.17 0.00 0.02 0.00 0.00 61.00 63.04 3hhm s PRO 377 Cb -0.08 -3.23 1.10 0.00 0.02 0.00 0.00 34.50 32.30 3hhm s PRO 377 CO -0.16 0.19 2.00 0.00 -0.33 0.00 0.00 177.00 178.70 3hhm h SER 379 N 0.00 -0.87 -3.54 0.00 0.02 -1.95 -3.34 113.55 103.87 3hhm h SER 379 Ca -0.00 0.27 -0.64 0.00 -0.84 0.00 0.00 61.79 60.58 3hhm h SER 379 Cb 0.35 0.56 -0.40 0.00 0.14 0.00 0.00 62.40 63.06 3hhm h SER 379 CO 0.02 -0.30 -0.74 0.54 -1.14 0.00 0.00 176.83 175.22 3hhm s ASN 380 N -5.26 4.49 -0.81 3.07 4.22 -0.80 -5.05 114.94 114.80 3hhm s ASN 380 Ca -0.15 -1.92 -0.25 0.00 -2.14 0.00 0.00 52.86 48.40 3hhm s ASN 380 Cb 0.24 -1.38 -0.00 0.00 1.28 0.00 0.00 41.25 41.39 3hhm s ASN 380 CO 0.76 -0.37 1.66 -2.84 -2.04 0.00 0.00 177.10 174.27 3hhm s PRO 381 N 1.14 2.95 -0.12 3.55 0.02 -1.26 -4.47 135.00 136.81 3hhm s PRO 381 Ca 0.09 -0.21 -0.06 0.00 0.02 0.00 0.00 61.00 60.84 3hhm s PRO 381 Cb -0.19 -4.74 0.05 0.00 0.02 0.00 0.00 34.50 29.64 3hhm s PRO 381 CO -0.13 -2.67 0.28 0.50 -0.33 0.00 0.00 177.00 174.66 3hhm s ARG 382 N 6.29 0.25 0.00 5.54 3.52 -1.26 -2.04 118.95 131.24 3hhm s ARG 382 Ca 0.56 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 3hhm s ARG 382 Cb -0.07 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 3hhm s ARG 382 CO 0.07 -0.15 0.00 0.91 -0.81 0.00 0.00 175.30 175.31 3hhm n TRP 383 N 4.14 0.00 -1.64 5.12 8.01 -0.16 -4.77 117.44 128.14 3hhm n TRP 383 Ca -0.24 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.79 3hhm n TRP 383 Cb 0.54 0.09 -0.06 0.00 -2.01 0.00 0.00 31.31 29.87 3hhm n TRP 383 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3hhm n ASN 384 N -2.69 -4.35 -4.69 -0.99 3.02 -0.23 -4.97 115.26 100.36 3hhm n ASN 384 Ca 0.00 0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 54.58 3hhm n ASN 384 Cb 0.38 -3.90 -0.08 0.00 -0.61 0.00 0.00 39.78 35.57 3hhm n ASN 384 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hhm s GLU 385 N -3.68 2.67 -0.07 3.52 -1.05 -1.01 -4.88 118.70 114.21 3hhm s GLU 385 Ca 0.00 -0.73 -0.28 0.00 -0.15 0.00 0.00 54.97 53.82 3hhm s GLU 385 Cb 0.00 -2.61 -0.02 0.00 -0.44 0.00 0.00 34.13 31.06 3hhm s GLU 385 CO 0.00 0.58 0.90 -1.58 0.95 0.00 0.00 175.26 176.10 3hhm s TRP 386 N -1.22 3.56 -0.09 4.83 0.52 -1.26 -0.81 118.94 124.47 3hhm s TRP 386 Ca 0.23 1.49 -0.11 0.00 0.02 0.00 0.00 56.10 57.74 3hhm s TRP 386 Cb -0.12 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.11 3hhm s TRP 386 CO 0.15 -0.08 0.26 -0.51 0.02 0.00 0.00 176.95 176.78 3hhm s LEU 387 N 1.42 4.38 -0.20 2.99 1.43 -0.10 -4.94 118.68 123.66 3hhm s LEU 387 Ca 0.45 0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 54.13 3hhm s LEU 387 Cb -0.19 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3hhm s LEU 387 CO 0.20 0.32 0.01 0.20 0.23 0.00 0.00 176.35 177.31 3hhm s ASN 388 N -0.71 4.89 -0.03 2.29 0.01 -1.26 -1.77 114.94 118.36 3hhm s ASN 388 Ca 0.18 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3hhm s ASN 388 Cb -0.14 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.64 3hhm s ASN 388 CO 0.07 0.06 0.10 -0.31 -1.51 0.00 0.00 177.10 175.50 3hhm s TYR 389 N 1.04 3.35 -1.17 2.20 1.51 -0.70 -4.97 117.35 118.62 3hhm s TYR 389 Ca 0.02 0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 56.27 3hhm s TYR 389 Cb -0.14 -1.78 0.24 0.00 -0.11 0.00 0.00 41.96 40.16 3hhm s TYR 389 CO 0.02 0.58 1.48 -0.40 -1.11 0.00 0.00 175.55 176.11 3hhm n ASP 390 N 1.35 5.63 -3.69 2.29 5.75 -1.26 -4.27 116.55 122.35 3hhm n ASP 390 Ca -0.14 -3.16 -0.10 0.00 -0.01 0.00 0.00 54.79 51.38 3hhm n ASP 390 Cb 0.53 -1.41 -0.11 0.00 -1.03 0.00 0.00 41.12 39.10 3hhm n ASP 390 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3hhm s ILE 391 N -0.75 -0.02 0.12 2.12 2.07 -1.26 -4.80 121.20 118.68 3hhm s ILE 391 Ca 0.36 0.09 -0.31 0.00 -1.41 0.00 0.00 60.65 59.37 3hhm s ILE 391 Cb 0.01 -0.63 -0.07 0.00 0.13 0.00 0.00 42.46 41.89 3hhm s ILE 391 CO 0.01 0.04 1.31 -0.47 -1.91 0.00 0.00 174.94 173.91 3hhm s TYR 392 N 1.38 3.32 0.22 3.50 5.04 -1.26 -2.41 117.35 127.13 3hhm s TYR 392 Ca -0.09 1.14 -0.10 0.00 -2.44 0.00 0.00 57.07 55.57 3hhm s TYR 392 Cb -0.08 -3.57 0.32 0.00 0.35 0.00 0.00 41.96 38.98 3hhm s TYR 392 CO -0.13 -1.89 1.66 0.82 -1.34 0.00 0.00 175.55 174.68 3hhm h ILE 393 N 4.19 0.47 -0.17 3.14 2.04 -1.79 0.24 117.51 125.63 3hhm h ILE 393 Ca -0.43 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.44 3hhm h ILE 393 Cb 1.21 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3hhm h ILE 393 CO 0.82 0.02 0.28 -0.65 0.00 0.00 0.00 178.15 178.63 3hhm h PRO 394 N 0.12 0.00 0.00 2.37 0.11 -1.75 -1.01 132.00 131.85 3hhm h PRO 394 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3hhm h PRO 394 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3hhm h PRO 394 CO -0.55 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 176.99 3hhm n ASP 395 N -3.44 0.00 -4.65 -2.05 8.00 0.86 -4.65 116.55 110.62 3hhm n ASP 395 Ca 0.02 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 3hhm n ASP 395 Cb 0.39 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 3hhm n ASP 395 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hhm s LEU 396 N -2.86 4.19 0.53 0.64 1.43 -0.38 -4.11 118.68 118.10 3hhm s LEU 396 Ca 0.17 2.31 -0.19 0.00 -1.03 0.00 0.00 54.13 55.39 3hhm s LEU 396 Cb 0.18 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 3hhm s LEU 396 CO 0.47 -1.19 1.09 -2.16 0.23 0.00 0.00 176.35 174.79 3hhm s PRO 397 N 4.68 3.50 0.30 1.29 0.04 -1.26 -4.95 135.00 138.61 3hhm s PRO 397 Ca 0.85 1.49 0.05 0.00 0.04 0.00 0.00 61.00 63.42 3hhm s PRO 397 Cb -0.37 -2.04 0.76 0.00 0.04 0.00 0.00 34.50 32.89 3hhm s PRO 397 CO 0.36 -0.70 1.71 -0.09 0.04 0.00 0.00 177.00 178.32 3hhm h ARG 398 N 1.26 0.44 -0.87 4.56 9.65 -1.94 0.11 114.38 127.59 3hhm h ARG 398 Ca -0.50 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.23 3hhm h ARG 398 Cb 1.24 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 29.65 3hhm h ARG 398 CO 0.58 0.29 0.16 0.00 2.80 0.00 0.00 179.97 183.79 3hhm n ALA 399 N -2.45 3.66 -1.81 2.80 0.00 -1.26 -4.69 120.51 116.77 3hhm n ALA 399 Ca 0.23 -1.27 -0.41 0.00 0.00 0.00 0.00 53.44 51.99 3hhm n ALA 399 Cb 0.67 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 3hhm n ALA 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhm s ALA 400 N -1.87 3.61 0.06 0.00 0.00 0.39 -4.72 121.76 119.23 3hhm s ALA 400 Ca 0.30 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 3hhm s ALA 400 Cb 0.24 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3hhm s ALA 400 CO 0.07 -0.83 0.05 -0.98 0.00 0.00 0.00 175.76 174.07 3hhm s ARG 401 N -1.12 0.69 -0.23 0.00 1.70 -0.32 -2.00 118.95 117.68 3hhm s ARG 401 Ca 0.56 -1.13 -0.10 0.00 -0.47 0.00 0.00 55.73 54.59 3hhm s ARG 401 Cb -0.43 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 3hhm s ARG 401 CO 0.51 -0.17 0.14 -1.17 -1.08 0.00 0.00 175.30 173.53 3hhm s LEU 402 N -2.90 4.09 -0.19 -1.89 2.96 0.80 0.32 118.68 121.88 3hhm s LEU 402 Ca 0.06 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 3hhm s LEU 402 Cb 0.07 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.69 3hhm s LEU 402 CO -0.10 0.10 -0.18 0.00 -1.32 0.00 0.00 176.35 174.85 3hhm s LEU 404 N 1.31 2.38 0.20 0.00 0.05 0.32 -1.30 118.68 121.64 3hhm s LEU 404 Ca 0.05 -1.11 -0.19 0.00 0.05 0.00 0.00 54.13 52.92 3hhm s LEU 404 Cb -0.13 -0.35 0.04 0.00 -2.05 0.00 0.00 46.19 43.70 3hhm s LEU 404 CO -0.12 -0.40 0.57 -0.94 -0.55 0.00 0.00 176.35 174.91 3hhm s SER 405 N -3.25 -0.34 -0.11 1.48 1.04 -0.11 -1.34 113.70 111.07 3hhm s SER 405 Ca 0.23 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.31 3hhm s SER 405 Cb 0.04 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3hhm s SER 405 CO 0.05 -1.07 -0.19 -0.63 0.98 0.00 0.00 173.24 172.39 3hhm s ILE 406 N -3.85 2.53 0.00 -1.02 1.01 -0.40 -0.09 121.20 119.39 3hhm s ILE 406 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3hhm s ILE 406 Cb -0.02 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3hhm s ILE 406 CO -0.04 0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.44 3hhm n SER 408 N 0.00 0.00 0.00 0.00 7.64 -1.26 -4.70 113.62 115.30 3hhm n SER 408 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hhm n SER 408 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hhm n SER 408 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3hhm n VAL 409 N -0.01 0.00 0.00 0.44 0.31 -1.26 -4.75 118.33 113.06 3hhm n VAL 409 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hhm n VAL 409 Cb 0.00 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3hhm n VAL 409 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hhm n LYS 410 N -2.84 0.00 -4.44 5.55 4.76 -1.26 -5.09 118.16 114.84 3hhm n LYS 410 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3hhm n LYS 410 Cb 0.37 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.44 3hhm n LYS 410 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hhm s GLY 411 N 0.00 1.71 0.00 0.72 0.00 -1.26 -5.07 107.32 103.42 3hhm s GLY 411 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3hhm s GLY 411 CO 0.00 -0.14 0.38 0.54 0.00 0.00 0.00 173.10 173.87 3hhm n ARG 412 N 3.37 0.00 0.00 2.90 3.00 -1.26 -5.28 116.66 119.39 3hhm n ARG 412 Ca -0.17 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.75 3hhm n ARG 412 Cb 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 32.08 3hhm n ARG 412 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3hhm n LYS 413 N -0.76 0.00 0.00 5.56 5.02 -1.26 -5.36 118.16 121.37 3hhm n LYS 413 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hhm n LYS 413 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3hhm n LYS 413 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hhm n PRO 421 N -0.06 0.00 0.00 1.97 -0.02 -1.26 -5.39 135.00 130.24 3hhm n PRO 421 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hhm n PRO 421 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hhm n PRO 421 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hhm n LEU 422 N 0.00 0.00 -3.64 2.45 4.77 -1.25 -3.35 117.00 115.99 3hhm n LEU 422 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3hhm n LEU 422 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3hhm n LEU 422 CO 0.00 0.00 0.49 0.00 -1.33 0.00 0.00 177.39 176.55 3hhm s ALA 423 N -1.00 -1.92 0.30 -1.18 0.00 -1.05 -4.25 121.76 112.66 3hhm s ALA 423 Ca 0.00 2.16 0.03 0.00 0.00 0.00 0.00 51.96 54.14 3hhm s ALA 423 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 3hhm s ALA 423 CO 0.00 -0.33 0.06 1.67 0.00 0.00 0.00 175.76 177.16 3hhm s TRP 424 N 0.89 1.80 -0.25 0.00 1.48 -0.78 -1.27 118.94 120.82 3hhm s TRP 424 Ca -0.04 -1.02 -0.29 0.00 -1.06 0.00 0.00 56.10 53.69 3hhm s TRP 424 Cb -0.05 -1.13 0.17 0.00 -1.16 0.00 0.00 33.47 31.29 3hhm s TRP 424 CO -0.09 -0.10 1.23 0.20 -4.06 0.00 0.00 176.95 174.12 3hhm s GLY 425 N -3.42 -0.01 0.04 3.67 0.00 -0.45 -0.25 107.32 106.90 3hhm s GLY 425 Ca 0.36 2.66 0.06 0.00 0.00 0.00 0.00 44.72 47.80 3hhm s GLY 425 CO 0.14 1.26 -0.16 -1.31 0.00 0.00 0.00 173.10 173.03 3hhm s ASN 426 N -0.80 1.92 -0.04 1.64 0.01 -1.26 -0.52 114.94 115.90 3hhm s ASN 426 Ca 0.05 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 3hhm s ASN 426 Cb -0.02 -0.13 0.03 0.00 0.41 0.00 0.00 41.25 41.53 3hhm s ASN 426 CO -0.06 0.07 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.97 3hhm s ILE 427 N -0.85 0.24 -0.03 0.60 1.01 0.11 -1.26 121.20 121.03 3hhm s ILE 427 Ca 0.03 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 3hhm s ILE 427 Cb -0.08 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 3hhm s ILE 427 CO 0.01 0.17 1.46 0.20 0.00 0.00 0.00 174.94 176.78 3hhm s ASN 428 N 1.12 6.80 0.41 3.58 0.01 -1.26 -0.14 114.94 125.46 3hhm s ASN 428 Ca -0.08 2.12 0.29 0.00 -0.71 0.00 0.00 52.86 54.48 3hhm s ASN 428 Cb -0.14 -2.55 1.32 0.00 0.41 0.00 0.00 41.25 40.29 3hhm s ASN 428 CO -0.02 -0.78 1.87 -0.07 -1.51 0.00 0.00 177.10 176.59 3hhm h LEU 429 N 8.94 0.00 -8.74 0.60 3.38 -1.75 -3.43 115.31 114.32 3hhm h LEU 429 Ca -0.37 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.01 3hhm h LEU 429 Cb 1.17 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 3hhm h LEU 429 CO 0.92 0.00 -0.83 -0.36 0.09 0.00 0.00 178.44 178.26 3hhm s PHE 430 N -3.57 1.91 1.02 1.13 0.40 -1.26 -1.54 117.98 116.08 3hhm s PHE 430 Ca 0.01 -0.41 -0.17 0.00 -0.60 0.00 0.00 56.93 55.76 3hhm s PHE 430 Cb 0.09 -1.03 0.22 0.00 0.51 0.00 0.00 43.02 42.80 3hhm s PHE 430 CO 0.41 0.25 1.25 -0.51 0.70 0.00 0.00 175.22 177.31 3hhm s ASP 431 N -2.00 2.59 0.00 1.36 1.01 -0.16 -4.90 116.67 114.57 3hhm s ASP 431 Ca 0.09 0.42 0.20 0.00 0.71 0.00 0.00 52.55 53.97 3hhm s ASP 431 Cb -0.10 -0.57 1.20 0.00 1.01 0.00 0.00 42.92 44.47 3hhm s ASP 431 CO 0.05 -3.07 1.62 0.00 0.21 0.00 0.00 175.17 173.97 3hhm n TYR 432 N -4.02 0.00 0.05 4.23 0.18 -1.26 -2.26 117.16 114.08 3hhm n TYR 432 Ca 0.14 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.94 3hhm n TYR 432 Cb 0.59 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.59 3hhm n TYR 432 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3hhm n THR 433 N -0.94 0.48 -1.04 -3.48 -2.24 -1.26 -4.99 114.28 100.81 3hhm n THR 433 Ca 0.15 -0.74 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 3hhm n THR 433 Cb 0.07 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 3hhm n THR 433 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hhm n ASP 434 N 0.04 -3.22 -4.74 3.42 10.43 -0.96 -4.94 116.55 116.58 3hhm n ASP 434 Ca 0.03 0.04 -0.40 0.00 2.57 0.00 0.00 54.79 57.03 3hhm n ASP 434 Cb 0.20 -0.86 -0.05 0.00 1.84 0.00 0.00 41.12 42.25 3hhm n ASP 434 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3hhm s THR 435 N -2.04 4.92 0.08 -3.53 2.01 -1.26 -1.40 115.64 114.42 3hhm s THR 435 Ca 0.00 1.45 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 3hhm s THR 435 Cb 0.00 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 3hhm s THR 435 CO 0.00 0.33 1.16 -0.22 -0.69 0.00 0.00 174.62 175.20 3hhm s LEU 436 N 0.31 4.39 0.23 4.42 1.98 0.07 -0.99 118.68 129.09 3hhm s LEU 436 Ca 0.36 2.00 -0.30 0.00 -2.89 0.00 0.00 54.13 53.30 3hhm s LEU 436 Cb -0.19 -3.58 -0.09 0.00 0.66 0.00 0.00 46.19 42.99 3hhm s LEU 436 CO 0.19 -0.41 1.35 0.68 -1.89 0.00 0.00 176.35 176.27 3hhm s VAL 437 N 0.83 2.96 0.03 1.68 -7.23 -0.59 -4.60 120.40 113.49 3hhm s VAL 437 Ca 0.56 0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 61.55 3hhm s VAL 437 Cb -0.29 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 3hhm s VAL 437 CO 0.30 0.14 -0.03 -0.94 -0.31 0.00 0.00 175.10 174.26 3hhm s SER 438 N 0.22 0.33 0.00 4.85 1.04 -1.26 -4.61 113.70 114.27 3hhm s SER 438 Ca 0.56 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.31 3hhm s SER 438 Cb -0.39 0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3hhm s SER 438 CO 0.42 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3hhm n GLY 439 N 1.04 -1.78 3.76 7.32 0.00 -0.71 -4.84 105.19 109.97 3hhm n GLY 439 Ca -0.20 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 3hhm n GLY 439 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hhm s LYS 440 N 0.00 4.43 -0.15 1.61 2.36 -1.26 -0.90 119.74 125.83 3hhm s LYS 440 Ca 0.00 2.09 -0.08 0.00 -2.55 0.00 0.00 55.97 55.42 3hhm s LYS 440 Cb 0.00 -3.12 0.06 0.00 -1.05 0.00 0.00 37.83 33.72 3hhm s LYS 440 CO 0.00 -0.10 0.37 1.41 1.55 0.00 0.00 175.35 178.59 3hhm s MET 441 N -1.44 0.35 -0.09 4.03 1.75 0.51 -4.95 119.30 119.47 3hhm s MET 441 Ca 0.49 0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 55.64 3hhm s MET 441 Cb -0.37 -0.04 -0.03 0.00 2.84 0.00 0.00 34.83 37.23 3hhm s MET 441 CO 0.48 -0.16 -0.03 0.00 -0.65 0.00 0.00 175.02 174.66 3hhm s ALA 442 N 1.33 3.15 -0.09 4.11 0.00 -1.26 -0.19 121.76 128.81 3hhm s ALA 442 Ca -0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3hhm s ALA 442 Cb -0.09 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.65 3hhm s ALA 442 CO -0.11 0.54 -0.04 -1.17 0.00 0.00 0.00 175.76 174.98 3hhm s LEU 443 N -0.72 0.94 -0.07 0.00 2.96 0.59 -4.93 118.68 117.46 3hhm s LEU 443 Ca 0.11 -0.19 -0.26 0.00 -0.22 0.00 0.00 54.13 53.57 3hhm s LEU 443 Cb -0.11 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 3hhm s LEU 443 CO 0.02 -0.14 0.81 0.20 -1.32 0.00 0.00 176.35 175.91 3hhm s ASN 444 N 1.73 7.09 0.50 3.68 0.01 -1.26 -0.74 114.94 125.95 3hhm s ASN 444 Ca 0.03 1.32 -0.03 0.00 -0.71 0.00 0.00 52.86 53.47 3hhm s ASN 444 Cb -0.13 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3hhm s ASN 444 CO -0.06 -0.21 0.77 -0.76 -1.51 0.00 0.00 177.10 175.33 3hhm s LEU 445 N 1.12 3.51 -0.04 0.60 1.43 -0.17 -1.21 118.68 123.92 3hhm s LEU 445 Ca 0.42 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3hhm s LEU 445 Cb -0.18 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 3hhm s LEU 445 CO 0.20 -0.79 0.00 0.26 0.23 0.00 0.00 176.35 176.25 3hhm s TRP 446 N -2.74 3.11 0.33 0.29 0.52 0.65 -4.72 118.94 116.37 3hhm s TRP 446 Ca 0.50 0.13 -0.29 0.00 0.02 0.00 0.00 56.10 56.45 3hhm s TRP 446 Cb -0.10 -1.72 -0.11 0.00 -1.15 0.00 0.00 33.47 30.38 3hhm s TRP 446 CO 0.42 0.46 1.57 -1.25 0.02 0.00 0.00 176.95 178.17 3hhm s PRO 447 N -1.25 4.10 0.26 4.98 0.04 -1.26 -1.86 135.00 140.01 3hhm s PRO 447 Ca 0.17 2.60 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 3hhm s PRO 447 Cb -0.11 -3.00 -0.11 0.00 0.04 0.00 0.00 34.50 31.32 3hhm s PRO 447 CO 0.07 -0.61 1.55 0.08 0.04 0.00 0.00 177.00 178.12 3hhm s VAL 448 N -0.40 2.33 0.52 -0.36 1.01 -1.26 -4.90 120.40 117.34 3hhm s VAL 448 Ca 0.60 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.62 3hhm s VAL 448 Cb -0.48 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 3hhm s VAL 448 CO 0.54 0.04 1.30 -2.65 0.00 0.00 0.00 175.10 174.32 3hhm n PRO 449 N 2.56 1.68 -0.16 2.72 -0.02 -1.26 -4.95 135.00 135.58 3hhm n PRO 449 Ca 0.09 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3hhm n PRO 449 Cb 0.38 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 3hhm n PRO 449 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hhm h HIS 450 N 1.51 -1.53 -1.82 6.00 -0.00 -2.04 -2.89 115.15 114.38 3hhm h HIS 450 Ca -0.50 0.08 -0.77 0.00 -0.00 0.00 0.00 60.37 59.19 3hhm h HIS 450 Cb 1.31 0.73 -0.22 0.00 -0.00 0.00 0.00 27.41 29.23 3hhm h HIS 450 CO 0.45 -0.47 1.43 0.41 -0.00 0.00 0.00 177.93 179.75 3hhm n GLY 451 N -1.39 5.70 3.22 5.26 0.00 -1.26 -4.92 105.19 111.80 3hhm n GLY 451 Ca -0.02 -2.37 -0.13 0.00 0.00 0.00 0.00 46.02 43.51 3hhm n GLY 451 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hhm s LEU 452 N -3.51 0.66 -0.49 0.99 0.20 -1.09 -5.06 118.68 110.39 3hhm s LEU 452 Ca 0.46 0.68 0.06 0.00 0.69 0.00 0.00 54.13 56.03 3hhm s LEU 452 Cb 0.22 1.14 0.23 0.00 -0.43 0.00 0.00 46.19 47.35 3hhm s LEU 452 CO -0.15 -0.12 0.80 -1.84 -0.29 0.00 0.00 176.35 174.74 3hhm n GLU 453 N 3.02 0.69 0.00 1.98 0.28 -1.26 -4.83 120.64 120.53 3hhm n GLU 453 Ca -0.14 -2.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.86 3hhm n GLU 453 Cb 0.57 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.99 3hhm n GLU 453 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hhm n ASP 454 N 1.99 1.29 0.00 -1.84 9.92 -1.26 -4.95 116.55 121.70 3hhm n ASP 454 Ca 0.13 -1.61 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 3hhm n ASP 454 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 3hhm n ASP 454 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hhm n LEU 455 N -0.31 0.00 -4.39 0.64 4.77 -1.26 -4.76 117.00 111.70 3hhm n LEU 455 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3hhm n LEU 455 Cb 0.30 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 3hhm n LEU 455 CO 0.00 0.00 -0.54 -0.76 -1.33 0.00 0.00 177.39 174.76 3hhm s LEU 456 N 0.00 2.37 -0.58 2.23 1.02 -1.26 -4.48 118.68 117.98 3hhm s LEU 456 Ca 0.00 -0.79 0.05 0.00 0.02 0.00 0.00 54.13 53.40 3hhm s LEU 456 Cb 0.00 -1.14 0.18 0.00 0.02 0.00 0.00 46.19 45.25 3hhm s LEU 456 CO 0.00 0.13 0.46 -3.20 0.02 0.00 0.00 176.35 173.76 3hhm n ASN 457 N 0.65 1.69 0.18 2.29 5.15 -1.26 -4.97 115.26 118.99 3hhm n ASN 457 Ca -0.16 -2.91 0.14 0.00 -0.60 0.00 0.00 54.58 51.05 3hhm n ASN 457 Cb 0.54 -0.67 0.49 0.00 -0.53 0.00 0.00 39.78 39.61 3hhm n ASN 457 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hhm h PRO 458 N 5.31 0.00 -0.00 1.20 0.13 -1.96 -2.85 132.00 133.82 3hhm h PRO 458 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3hhm h PRO 458 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3hhm h PRO 458 CO 0.59 0.00 -0.09 -0.89 -0.23 0.00 0.00 178.00 177.38 3hhm n ILE 459 N -2.59 0.00 -1.65 -3.56 5.41 -1.26 -4.87 119.36 110.84 3hhm n ILE 459 Ca 0.03 -0.03 -0.29 0.00 1.00 0.00 0.00 62.75 63.45 3hhm n ILE 459 Cb 0.33 -0.24 0.14 0.00 -0.71 0.00 0.00 39.64 39.15 3hhm n ILE 459 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3hhm s GLY 460 N -2.59 1.61 1.14 7.39 0.00 -1.08 -5.04 107.32 108.75 3hhm s GLY 460 Ca 0.26 -0.68 -0.13 0.00 0.00 0.00 0.00 44.72 44.17 3hhm s GLY 460 CO 0.49 -0.08 1.04 -1.34 0.00 0.00 0.00 173.10 173.21 3hhm s VAL 461 N -3.42 1.95 0.01 1.40 -7.23 -1.26 -4.98 120.40 106.87 3hhm s VAL 461 Ca 0.65 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.85 3hhm s VAL 461 Cb -0.12 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3hhm s VAL 461 CO 0.52 0.00 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.40 3hhm s THR 462 N -2.64 3.97 0.00 5.32 2.01 -1.26 -4.27 115.64 118.77 3hhm s THR 462 Ca 0.68 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3hhm s THR 462 Cb -0.22 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.52 3hhm s THR 462 CO 0.62 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.52 3hhm n GLY 463 N 1.37 2.25 3.70 4.40 0.00 -0.39 -4.99 105.19 111.52 3hhm n GLY 463 Ca -0.14 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 3hhm n GLY 463 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hhm n SER 464 N 0.00 2.85 -4.69 1.61 2.88 -1.26 -4.73 113.62 110.28 3hhm n SER 464 Ca 0.00 1.19 -0.44 0.00 -1.33 0.00 0.00 58.87 58.29 3hhm n SER 464 Cb 0.00 -1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 61.94 3hhm n SER 464 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3hhm n ASN 465 N 1.13 3.67 0.18 -3.46 2.85 -0.35 -4.90 115.26 114.38 3hhm n ASN 465 Ca 0.06 1.05 0.09 0.00 -0.11 0.00 0.00 54.58 55.67 3hhm n ASN 465 Cb 0.35 -1.51 0.61 0.00 1.24 0.00 0.00 39.78 40.48 3hhm n ASN 465 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hhm h PRO 466 N 7.03 0.09 -6.63 1.20 0.11 -1.92 -3.41 132.00 128.48 3hhm h PRO 466 Ca -0.45 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.09 3hhm h PRO 466 Cb 1.23 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3hhm h PRO 466 CO 0.93 0.06 0.93 1.21 -0.21 0.00 0.00 178.00 180.92 3hhm s ASN 467 N -6.87 6.64 0.11 -2.05 3.04 -1.26 -4.90 114.94 109.65 3hhm s ASN 467 Ca -0.06 0.61 0.27 0.00 0.04 0.00 0.00 52.86 53.72 3hhm s ASN 467 Cb 0.18 -2.55 0.93 0.00 -1.54 0.00 0.00 41.25 38.27 3hhm s ASN 467 CO 0.69 -1.22 1.79 0.29 -3.04 0.00 0.00 177.10 175.61 3hhm n LYS 468 N 7.73 0.15 -1.32 0.43 4.76 -1.26 -4.01 118.16 124.63 3hhm n LYS 468 Ca 0.13 0.11 -0.24 0.00 -2.87 0.00 0.00 58.31 55.43 3hhm n LYS 468 Cb 0.49 -1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 31.92 3hhm n LYS 468 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hhm n GLU 469 N -1.92 2.73 -3.95 1.97 -0.58 -1.26 -4.86 120.64 112.77 3hhm n GLU 469 Ca 0.06 -1.91 -0.08 0.00 -0.42 0.00 0.00 57.16 54.81 3hhm n GLU 469 Cb 0.39 -2.26 -0.08 0.00 -0.57 0.00 0.00 31.44 28.92 3hhm n GLU 469 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3hhm s THR 470 N -0.03 0.18 0.25 2.62 -4.23 -1.26 -5.13 115.64 108.04 3hhm s THR 470 Ca 0.64 -1.44 -0.29 0.00 -1.18 0.00 0.00 61.69 59.41 3hhm s THR 470 Cb 0.30 -1.41 -0.15 0.00 1.34 0.00 0.00 72.50 72.58 3hhm s THR 470 CO -0.09 -0.80 0.98 -0.81 -0.54 0.00 0.00 174.62 173.37 3hhm n PRO 471 N 0.01 1.15 -3.62 3.99 -0.04 -1.26 -4.80 135.00 130.43 3hhm n PRO 471 Ca -0.15 0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 63.45 3hhm n PRO 471 Cb 0.62 -1.75 -0.16 0.00 -0.04 0.00 0.00 33.50 32.16 3hhm n PRO 471 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hhm s LEU 473 N 2.06 4.51 -0.15 0.00 2.96 0.08 -2.29 118.68 125.85 3hhm s LEU 473 Ca 0.03 1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 55.39 3hhm s LEU 473 Cb -0.16 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 3hhm s LEU 473 CO -0.16 0.18 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.35 3hhm s GLU 474 N -1.36 3.44 0.09 1.98 2.02 -0.36 -0.30 118.70 124.21 3hhm s GLU 474 Ca 0.36 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.78 3hhm s GLU 474 Cb -0.20 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 3hhm s GLU 474 CO 0.23 0.15 -0.19 -0.51 0.02 0.00 0.00 175.26 174.95 3hhm s LEU 475 N 0.54 2.27 -0.16 1.80 1.43 0.74 -1.00 118.68 124.29 3hhm s LEU 475 Ca -0.07 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3hhm s LEU 475 Cb -0.15 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.26 3hhm s LEU 475 CO 0.03 0.04 -0.14 -0.70 0.23 0.00 0.00 176.35 175.82 3hhm s GLU 476 N -1.75 3.24 0.04 1.70 2.12 -0.16 -0.36 118.70 123.53 3hhm s GLU 476 Ca 0.05 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 3hhm s GLU 476 Cb -0.10 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 3hhm s GLU 476 CO 0.03 -0.01 0.20 -0.06 -0.54 0.00 0.00 175.26 174.88 3hhm s PHE 477 N 0.90 3.52 0.38 5.30 0.40 -0.08 -0.65 117.98 127.77 3hhm s PHE 477 Ca -0.03 0.27 -0.26 0.00 -0.60 0.00 0.00 56.93 56.31 3hhm s PHE 477 Cb -0.15 -1.78 -0.11 0.00 0.51 0.00 0.00 43.02 41.49 3hhm s PHE 477 CO -0.01 0.60 1.20 -0.25 0.70 0.00 0.00 175.22 177.47 3hhm n ASP 478 N 0.45 2.26 -4.20 1.36 10.43 -1.26 -1.75 116.55 123.85 3hhm n ASP 478 Ca -0.06 1.13 -0.34 0.00 2.57 0.00 0.00 54.79 58.09 3hhm n ASP 478 Cb 0.51 -1.45 -0.15 0.00 1.84 0.00 0.00 41.12 41.88 3hhm n ASP 478 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3hhm s TRP 479 N -1.16 2.94 0.60 1.24 -0.11 -1.26 -4.13 118.94 117.05 3hhm s TRP 479 Ca 0.59 -1.42 0.05 0.00 1.22 0.00 0.00 56.10 56.54 3hhm s TRP 479 Cb -0.56 -2.02 0.08 0.00 -1.50 0.00 0.00 33.47 29.47 3hhm s TRP 479 CO 0.59 -0.71 0.82 -0.06 -4.62 0.00 0.00 176.95 172.98 3hhm s PHE 480 N 1.35 1.91 0.46 5.86 0.40 -1.26 -4.95 117.98 121.75 3hhm s PHE 480 Ca 0.03 -0.41 0.34 0.00 -0.60 0.00 0.00 56.93 56.29 3hhm s PHE 480 Cb -0.15 -2.59 1.50 0.00 0.51 0.00 0.00 43.02 42.30 3hhm s PHE 480 CO -0.07 -1.19 1.60 1.03 0.70 0.00 0.00 175.22 177.30 3hhm h SER 481 N -0.01 0.19 -1.05 1.36 0.87 -2.02 -3.43 113.55 109.46 3hhm h SER 481 Ca -0.36 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3hhm h SER 481 Cb 1.28 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3hhm h SER 481 CO 0.43 -0.18 0.00 -1.54 -0.53 0.00 0.00 176.83 175.01 3hhm n SER 482 N -4.58 0.00 -4.68 6.23 3.41 -1.26 -5.09 113.62 107.64 3hhm n SER 482 Ca 0.39 -0.66 -0.44 0.00 -0.26 0.00 0.00 58.87 57.90 3hhm n SER 482 Cb 1.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.48 3hhm n SER 482 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3hhm n VAL 483 N 0.00 0.41 -3.65 -3.33 0.31 -1.26 -4.83 118.33 105.98 3hhm n VAL 483 Ca 0.00 -0.07 -0.36 0.00 -0.01 0.00 0.00 64.34 63.90 3hhm n VAL 483 Cb 0.00 -2.02 -0.08 0.00 -0.91 0.00 0.00 33.84 30.84 3hhm n VAL 483 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hhm s VAL 484 N 2.95 5.37 0.05 2.52 1.01 -1.26 -0.08 120.40 130.95 3hhm s VAL 484 Ca 0.84 0.34 0.09 0.00 0.00 0.00 0.00 61.98 63.25 3hhm s VAL 484 Cb -0.54 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3hhm s VAL 484 CO 0.41 0.41 -0.24 -0.54 0.00 0.00 0.00 175.10 175.14 3hhm s LYS 485 N 0.43 1.56 0.27 2.72 1.02 0.10 -0.75 119.74 125.10 3hhm s LYS 485 Ca 0.11 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 3hhm s LYS 485 Cb -0.12 -1.74 -0.10 0.00 -0.52 0.00 0.00 37.83 35.35 3hhm s LYS 485 CO 0.01 0.44 1.48 0.12 -0.92 0.00 0.00 175.35 176.48 3hhm s PHE 486 N -0.84 2.93 0.77 3.18 5.36 -0.49 0.64 117.98 129.52 3hhm s PHE 486 Ca 0.10 0.98 -0.13 0.00 -0.96 0.00 0.00 56.93 56.92 3hhm s PHE 486 Cb -0.09 -3.89 0.06 0.00 -0.34 0.00 0.00 43.02 38.75 3hhm s PHE 486 CO 0.02 -2.91 1.15 -1.25 -1.46 0.00 0.00 175.22 170.77 3hhm s PRO 487 N -0.55 2.05 0.66 10.12 0.04 -1.26 -4.86 135.00 141.20 3hhm s PRO 487 Ca 0.60 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 3hhm s PRO 487 Cb -0.44 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 3hhm s PRO 487 CO 0.46 -1.85 1.05 -0.51 0.04 0.00 0.00 177.00 176.19 3hhm s ASP 488 N -2.58 5.62 0.30 6.66 1.01 -1.26 -4.87 116.67 121.54 3hhm s ASP 488 Ca 0.68 1.64 0.03 0.00 0.71 0.00 0.00 52.55 55.61 3hhm s ASP 488 Cb -0.23 -2.50 0.60 0.00 1.01 0.00 0.00 42.92 41.80 3hhm s ASP 488 CO 0.50 -1.28 1.85 -0.03 0.21 0.00 0.00 175.17 176.41 3hhm h MET 489 N -0.34 0.92 -1.85 8.23 4.05 -1.98 -1.51 114.93 122.44 3hhm h MET 489 Ca -0.45 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3hhm h MET 489 Cb 1.21 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 3hhm h MET 489 CO 0.58 0.61 0.00 0.45 0.23 0.00 0.00 176.91 178.77 3hhm n SER 490 N -4.60 3.41 0.00 1.39 2.88 -1.26 -0.98 113.62 114.47 3hhm n SER 490 Ca 0.18 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.86 3hhm n SER 490 Cb 0.37 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 3hhm n SER 490 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3hhm n VAL 491 N 1.44 0.00 -0.16 2.46 0.31 -0.87 -4.85 118.33 116.65 3hhm n VAL 491 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3hhm n VAL 491 Cb 0.35 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.31 3hhm n VAL 491 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3hhm h ILE 492 N 0.00 1.08 -0.44 2.52 2.04 -0.76 -2.46 117.51 119.49 3hhm h ILE 492 Ca 0.00 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.72 3hhm h ILE 492 Cb 0.00 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.43 3hhm h ILE 492 CO 0.00 0.11 0.06 -0.33 0.00 0.00 0.00 178.15 177.99 3hhm h GLU 493 N 0.62 0.17 -0.62 2.37 5.08 -1.32 -1.19 114.58 119.69 3hhm h GLU 493 Ca 0.19 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3hhm h GLU 493 Cb -0.02 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3hhm h GLU 493 CO -0.07 0.11 0.34 0.93 -1.00 0.00 0.00 179.01 179.33 3hhm h GLU 494 N 0.18 0.63 -0.30 2.33 4.39 -1.75 -2.17 114.58 117.88 3hhm h GLU 494 Ca 0.22 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 3hhm h GLU 494 Cb 0.29 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3hhm h GLU 494 CO -0.31 0.41 -0.19 1.25 -1.16 0.00 0.00 179.01 179.01 3hhm h HIS 495 N 0.64 0.61 0.18 4.33 2.76 -0.94 -1.47 115.15 121.26 3hhm h HIS 495 Ca 0.27 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3hhm h HIS 495 Cb 0.15 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3hhm h HIS 495 CO -0.08 0.72 -0.09 0.00 -1.30 0.00 0.00 177.93 177.18 3hhm h ALA 496 N 1.29 -0.24 -0.88 5.26 0.00 -0.76 -2.02 119.26 121.92 3hhm h ALA 496 Ca 0.08 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hhm h ALA 496 Cb 0.62 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3hhm h ALA 496 CO 0.04 -0.56 0.58 -0.91 0.00 0.00 0.00 179.25 178.40 3hhm h ASN 497 N -0.39 0.88 0.23 0.00 2.35 -1.25 -0.55 115.58 116.85 3hhm h ASN 497 Ca -0.02 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3hhm h ASN 497 Cb 0.30 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3hhm h ASN 497 CO 0.04 0.57 -0.11 -0.25 -1.65 0.00 0.00 177.43 176.03 3hhm h TRP 498 N 1.00 -0.28 0.00 1.19 7.01 -1.15 -2.66 115.95 121.05 3hhm h TRP 498 Ca 0.38 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.32 3hhm h TRP 498 Cb 0.20 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3hhm h TRP 498 CO -0.00 -0.10 -0.23 0.66 -2.79 0.00 0.00 178.44 175.98 3hhm h SER 499 N -0.41 0.00 0.41 2.65 4.64 -0.88 -1.59 113.55 118.37 3hhm h SER 499 Ca -0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3hhm h SER 499 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3hhm h SER 499 CO 0.05 0.23 -0.39 1.62 -0.87 0.00 0.00 176.83 177.47 3hhm h VAL 500 N 0.00 1.25 0.00 0.95 3.04 -1.07 -2.87 116.25 117.55 3hhm h VAL 500 Ca -0.00 -1.34 -0.13 0.00 -1.01 0.00 0.00 66.70 64.22 3hhm h VAL 500 Cb 0.65 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 3hhm h VAL 500 CO 0.03 0.38 -0.60 0.28 -1.01 0.00 0.00 177.57 176.65 3hhm h SER 501 N 0.00 0.00 0.39 3.17 0.02 -0.93 -3.09 113.55 113.11 3hhm h SER 501 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3hhm h SER 501 Cb 0.70 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3hhm h SER 501 CO 0.05 0.60 -0.47 0.03 -1.14 0.00 0.00 176.83 175.91 3hhm h ARG 502 N 0.00 0.09 -0.02 3.45 3.08 -1.25 -3.36 114.38 116.37 3hhm h ARG 502 Ca -0.01 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hhm h ARG 502 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 3hhm h ARG 502 CO 0.08 0.54 -0.20 0.93 -1.07 0.00 0.00 179.97 180.25 3hhm h GLU 503 N 0.08 -0.29 0.00 0.04 4.39 -1.44 -2.52 114.58 114.83 3hhm h GLU 503 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3hhm h GLU 503 Cb 0.86 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3hhm h GLU 503 CO 0.06 -0.20 0.00 0.00 -1.16 0.00 0.00 179.01 177.72 3hhm h ALA 504 N 0.61 1.00 0.00 3.43 0.00 -1.73 -2.44 119.26 120.13 3hhm h ALA 504 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hhm h ALA 504 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hhm h ALA 504 CO -0.20 0.00 -0.25 0.41 0.00 0.00 0.00 179.25 179.21 3hhm n GLY 505 N -0.02 -1.57 3.77 0.00 0.00 -0.96 -4.87 105.19 101.55 3hhm n GLY 505 Ca 0.02 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3hhm n GLY 505 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hhm s PHE 506 N -3.11 2.59 -0.30 1.61 0.40 -0.92 -5.01 117.98 113.23 3hhm s PHE 506 Ca 0.09 1.52 -0.18 0.00 -0.60 0.00 0.00 56.93 57.77 3hhm s PHE 506 Cb 0.13 -3.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.25 3hhm s PHE 506 CO 0.64 -1.85 0.50 -1.54 0.70 0.00 0.00 175.22 173.68 3hhm s SER 507 N -1.60 6.36 0.00 1.36 1.04 -1.26 -4.85 113.70 114.76 3hhm s SER 507 Ca 0.73 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.42 3hhm s SER 507 Cb -0.28 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3hhm s SER 507 CO 0.31 -0.36 0.00 0.00 0.98 0.00 0.00 173.24 174.17 3hhm n TYR 508 N 5.62 0.00 -1.23 5.02 0.18 -1.26 -4.79 117.16 120.70 3hhm n TYR 508 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 3hhm n TYR 508 Cb 0.49 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3hhm n TYR 508 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3hhm n SER 509 N 0.00 -6.89 -0.80 9.48 3.41 -1.26 -4.92 113.62 112.64 3hhm n SER 509 Ca 0.00 0.95 0.08 0.00 -0.26 0.00 0.00 58.87 59.64 3hhm n SER 509 Cb 0.00 -3.38 0.24 0.00 -0.26 0.00 0.00 64.21 60.81 3hhm n SER 509 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhm n HIS 510 N -0.67 0.82 -4.58 7.33 1.44 -1.26 -4.99 115.22 113.31 3hhm n HIS 510 Ca 0.00 -0.84 -0.33 0.00 -2.01 0.00 0.00 57.72 54.54 3hhm n HIS 510 Cb 0.00 -0.27 -0.15 0.00 0.12 0.00 0.00 29.99 29.69 3hhm n HIS 510 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hhm s ALA 511 N -2.60 2.59 0.41 1.59 0.00 -1.26 -5.04 121.76 117.45 3hhm s ALA 511 Ca 0.39 -0.98 0.26 0.00 0.00 0.00 0.00 51.96 51.63 3hhm s ALA 511 Cb 0.31 -1.27 1.39 0.00 0.00 0.00 0.00 23.12 23.55 3hhm s ALA 511 CO 0.09 0.07 1.60 0.78 0.00 0.00 0.00 175.76 178.29 3hhm h GLY 512 N 7.09 1.76 -3.98 0.00 0.00 -1.96 -2.47 103.07 103.51 3hhm h GLY 512 Ca -0.30 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 3hhm h GLY 512 CO 0.57 -0.59 -0.35 1.04 0.00 0.00 0.00 176.54 177.21 3hhm n LEU 513 N -4.95 5.11 0.00 3.11 4.77 -1.26 -4.58 117.00 119.20 3hhm n LEU 513 Ca 0.38 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 3hhm n LEU 513 Cb 1.39 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hhm n LEU 513 CO 0.12 1.61 0.04 -1.20 -1.33 0.00 0.00 177.39 176.64 3hhm n SER 514 N 2.47 0.00 -2.57 -1.43 7.64 -0.93 -4.79 113.62 114.01 3hhm n SER 514 Ca 0.40 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.37 3hhm n SER 514 Cb 0.88 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 3hhm n SER 514 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hhm n ASN 515 N -0.37 0.00 0.00 6.43 3.02 -1.26 -4.97 115.26 118.11 3hhm n ASN 515 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hhm n ASN 515 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3hhm n ASN 515 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hhm n ARG 516 N 0.00 0.00 0.00 3.52 3.00 -1.26 -4.85 116.66 117.08 3hhm n ARG 516 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hhm n ARG 516 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3hhm n ARG 516 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3hhm n ARG 524 N 0.00 0.00 -1.23 5.56 0.63 -1.26 -4.86 116.66 115.50 3hhm n ARG 524 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3hhm n ARG 524 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3hhm n ARG 524 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3hhm n GLU 525 N 0.00 -1.20 -1.27 -0.14 0.00 -1.26 -5.06 120.64 111.71 3hhm n GLU 525 Ca 0.00 1.26 -0.29 0.00 0.00 0.00 0.00 57.16 58.12 3hhm n GLU 525 Cb 0.00 -1.38 0.20 0.00 0.00 0.00 0.00 31.44 30.27 3hhm n GLU 525 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3hhm s ASN 526 N -0.13 1.96 0.00 4.31 -0.87 -1.26 -4.98 114.94 113.97 3hhm s ASN 526 Ca 0.00 0.77 0.26 0.00 -1.57 0.00 0.00 52.86 52.32 3hhm s ASN 526 Cb 0.00 -1.15 0.63 0.00 -0.02 0.00 0.00 41.25 40.71 3hhm s ASN 526 CO 0.00 -3.50 1.49 -0.67 -2.57 0.00 0.00 177.10 171.85 3hhm n ASP 527 N -4.36 0.76 0.00 -1.22 2.03 -1.26 -3.54 116.55 108.97 3hhm n ASP 527 Ca 0.10 -0.58 0.03 0.00 0.52 0.00 0.00 54.79 54.86 3hhm n ASP 527 Cb 0.59 0.20 0.12 0.00 -0.72 0.00 0.00 41.12 41.30 3hhm n ASP 527 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3hhm n LYS 528 N -1.07 0.02 0.00 -0.67 4.81 -1.26 -3.00 118.16 116.99 3hhm n LYS 528 Ca 0.09 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3hhm n LYS 528 Cb 0.34 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.91 3hhm n LYS 528 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3hhm n GLU 529 N -1.43 0.44 0.15 1.64 0.00 -1.23 -1.29 120.64 118.90 3hhm n GLU 529 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.28 3hhm n GLU 529 Cb 0.05 -1.03 0.53 0.00 0.00 0.00 0.00 31.44 31.00 3hhm n GLU 529 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3hhm n GLN 530 N -0.53 0.13 0.00 3.44 1.13 -1.16 -1.62 117.38 118.78 3hhm n GLN 530 Ca 0.01 0.60 0.06 0.00 -1.94 0.00 0.00 57.00 55.73 3hhm n GLN 530 Cb 0.00 -1.91 0.32 0.00 0.11 0.00 0.00 30.24 28.77 3hhm n GLN 530 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3hhm n LEU 531 N -2.19 0.00 -0.76 1.08 7.99 -0.41 -1.86 117.00 120.84 3hhm n LEU 531 Ca -0.01 0.27 0.11 0.00 -0.01 0.00 0.00 56.01 56.37 3hhm n LEU 531 Cb 0.06 -0.27 0.32 0.00 -0.11 0.00 0.00 43.42 43.41 3hhm n LEU 531 CO 0.10 -0.16 0.75 0.29 -1.51 0.00 0.00 177.39 176.86 3hhm n LYS 532 N -1.27 2.01 -0.68 3.23 5.02 -0.64 -4.14 118.16 121.69 3hhm n LYS 532 Ca 0.06 -1.51 -0.16 0.00 -2.02 0.00 0.00 58.31 54.68 3hhm n LYS 532 Cb 0.10 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3hhm n LYS 532 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hhm n ALA 533 N 0.75 4.49 -0.25 7.82 0.00 -0.78 -2.96 120.51 129.57 3hhm n ALA 533 Ca 0.17 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3hhm n ALA 533 Cb 0.44 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.17 3hhm n ALA 533 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3hhm n ILE 534 N 3.60 0.80 0.22 0.00 -5.35 -1.26 -4.35 119.36 113.02 3hhm n ILE 534 Ca 0.37 -0.81 0.08 0.00 -0.27 0.00 0.00 62.75 62.12 3hhm n ILE 534 Cb 0.29 0.59 0.48 0.00 -1.74 0.00 0.00 39.64 39.26 3hhm n ILE 534 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3hhm h SER 535 N 0.00 0.00 0.94 7.28 0.02 -1.89 -3.14 113.55 116.77 3hhm h SER 535 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3hhm h SER 535 Cb 0.63 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3hhm h SER 535 CO 0.00 0.27 -0.14 0.71 -1.14 0.00 0.00 176.83 176.54 3hhm h THR 536 N 0.00 0.35 -3.91 -2.27 1.35 -1.86 -3.46 112.91 103.11 3hhm h THR 536 Ca -0.00 -0.87 -0.49 0.00 -0.55 0.00 0.00 66.41 64.50 3hhm h THR 536 Cb 0.66 1.65 0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3hhm h THR 536 CO 0.04 0.13 0.43 -0.13 -0.25 0.00 0.00 175.52 175.73 3hhm s ARG 537 N -3.68 4.32 0.73 4.72 0.52 -1.19 -5.01 118.95 119.36 3hhm s ARG 537 Ca 0.01 1.59 -0.14 0.00 -0.52 0.00 0.00 55.73 56.66 3hhm s ARG 537 Cb 0.10 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.86 3hhm s ARG 537 CO 0.60 -0.01 1.16 0.16 0.02 0.00 0.00 175.30 177.22 3hhm s ASP 538 N -1.37 4.38 0.34 0.23 -4.77 -1.26 -4.88 116.67 109.35 3hhm s ASP 538 Ca 0.53 2.17 0.15 0.00 -3.30 0.00 0.00 52.55 52.10 3hhm s ASP 538 Cb -0.25 -2.57 0.83 0.00 -1.09 0.00 0.00 42.92 39.84 3hhm s ASP 538 CO 0.31 -2.13 1.38 -0.65 0.70 0.00 0.00 175.17 174.79 3hhm h PRO 539 N -0.45 0.00 0.00 2.11 0.11 -1.95 -1.23 132.00 130.60 3hhm h PRO 539 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hhm h PRO 539 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hhm h PRO 539 CO 0.50 0.00 -0.03 1.28 -0.21 0.00 0.00 178.00 179.55 3hhm n LEU 540 N -2.13 2.17 0.15 2.35 4.77 -1.26 -4.67 117.00 118.38 3hhm n LEU 540 Ca -0.01 -2.85 0.10 0.00 -0.03 0.00 0.00 56.01 53.22 3hhm n LEU 540 Cb 0.29 -0.36 0.61 0.00 -2.33 0.00 0.00 43.42 41.62 3hhm n LEU 540 CO 0.07 0.66 1.11 -1.28 -1.33 0.00 0.00 177.39 176.62 3hhm h SER 541 N 0.00 0.09 -3.58 -1.43 0.87 -1.56 -3.49 113.55 104.46 3hhm h SER 541 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hhm h SER 541 Cb 0.97 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3hhm h SER 541 CO 0.00 0.06 -0.84 -0.62 -0.53 0.00 0.00 176.83 174.91 3hhm n GLU 542 N -4.50 -3.66 -4.20 2.24 4.71 -1.26 -5.03 120.64 108.94 3hhm n GLU 542 Ca 0.01 2.82 -0.29 0.00 -0.01 0.00 0.00 57.16 59.69 3hhm n GLU 542 Cb 0.20 -3.55 -0.17 0.00 -1.01 0.00 0.00 31.44 26.91 3hhm n GLU 542 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3hhm s ILE 543 N -4.96 1.51 0.81 -3.67 1.01 -1.26 -5.12 121.20 109.51 3hhm s ILE 543 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3hhm s ILE 543 Cb 0.00 -1.40 0.08 0.00 0.01 0.00 0.00 42.46 41.15 3hhm s ILE 543 CO 0.00 0.45 1.14 0.42 0.00 0.00 0.00 174.94 176.94 3hhm s THR 544 N 1.28 2.63 0.31 2.92 -4.23 -1.26 -4.77 115.64 112.53 3hhm s THR 544 Ca -0.00 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.74 3hhm s THR 544 Cb -0.14 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.39 3hhm s THR 544 CO -0.07 -0.24 1.97 -0.33 -0.54 0.00 0.00 174.62 175.41 3hhm h GLU 545 N -1.12 0.97 -0.78 3.99 4.39 -1.99 0.10 114.58 120.13 3hhm h GLU 545 Ca -0.44 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.30 3hhm h GLU 545 Cb 1.26 -0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.62 3hhm h GLU 545 CO 0.48 0.67 0.39 1.96 -1.16 0.00 0.00 179.01 181.34 3hhm h GLN 546 N 0.99 0.60 -0.09 2.33 7.50 -1.99 0.10 115.11 124.56 3hhm h GLN 546 Ca 0.26 -0.04 -0.23 0.00 0.50 0.00 0.00 58.65 59.15 3hhm h GLN 546 Cb -0.07 -0.13 0.01 0.00 0.05 0.00 0.00 27.48 27.34 3hhm h GLN 546 CO -0.05 0.40 -0.86 0.93 -1.50 0.00 0.00 178.83 177.74 3hhm h GLU 547 N 0.61 0.68 -0.71 1.46 5.08 -1.52 0.18 114.58 120.36 3hhm h GLU 547 Ca 0.40 -0.61 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3hhm h GLU 547 Cb 0.49 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 3hhm h GLU 547 CO -0.31 1.22 0.40 0.87 -1.00 0.00 0.00 179.01 180.19 3hhm h LYS 548 N 0.43 0.71 -0.17 2.33 1.57 -0.61 0.16 116.57 121.00 3hhm h LYS 548 Ca -0.07 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 3hhm h LYS 548 Cb 1.49 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3hhm h LYS 548 CO 0.17 0.47 -0.66 -0.44 -0.57 0.00 0.00 179.45 178.42 3hhm h ASP 549 N 0.73 0.75 0.53 0.86 3.32 -0.84 -2.71 116.42 119.06 3hhm h ASP 549 Ca 0.32 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3hhm h ASP 549 Cb 0.21 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hhm h ASP 549 CO -0.19 1.21 -0.32 0.15 -1.72 0.00 0.00 179.24 178.37 3hhm h PHE 550 N 0.47 -0.85 -0.26 4.55 3.57 -0.34 -2.30 116.94 121.78 3hhm h PHE 550 Ca -0.02 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3hhm h PHE 550 Cb 1.25 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 40.22 3hhm h PHE 550 CO 0.06 -0.50 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.36 3hhm h LEU 551 N -0.81 -0.70 -1.13 0.59 3.38 -1.02 -2.22 115.31 113.40 3hhm h LEU 551 Ca -0.06 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hhm h LEU 551 Cb 0.66 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3hhm h LEU 551 CO 0.07 -0.25 0.59 -0.25 0.09 0.00 0.00 178.44 178.68 3hhm h TRP 552 N -0.21 1.09 0.00 1.13 2.91 -1.49 -1.26 115.95 118.11 3hhm h TRP 552 Ca 0.14 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3hhm h TRP 552 Cb 0.43 -0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 3hhm h TRP 552 CO -0.38 0.63 -0.04 0.77 -1.03 0.00 0.00 178.44 178.39 3hhm h SER 553 N 1.13 0.00 -0.17 2.65 0.02 -0.81 -2.95 113.55 113.42 3hhm h SER 553 Ca 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3hhm h SER 553 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3hhm h SER 553 CO -0.11 0.04 -0.01 1.41 -1.14 0.00 0.00 176.83 177.02 3hhm n HIS 554 N -4.30 0.60 -0.10 3.45 8.25 -0.57 -4.01 115.22 118.54 3hhm n HIS 554 Ca -0.03 -0.97 0.26 0.00 -0.26 0.00 0.00 57.72 56.73 3hhm n HIS 554 Cb 0.12 -0.26 0.72 0.00 1.12 0.00 0.00 29.99 31.68 3hhm n HIS 554 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3hhm h ARG 555 N 1.10 0.00 0.00 -0.41 0.11 -1.13 0.37 114.38 114.42 3hhm h ARG 555 Ca 0.01 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.98 3hhm h ARG 555 Cb 1.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 3hhm h ARG 555 CO 0.15 0.00 -0.53 0.45 0.10 0.00 0.00 179.97 180.14 3hhm h HIS 556 N 0.00 0.00 0.00 4.08 3.86 -1.87 -3.03 115.15 118.19 3hhm h HIS 556 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3hhm h HIS 556 Cb 1.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.11 3hhm h HIS 556 CO 0.00 0.53 -0.26 0.98 0.86 0.00 0.00 177.93 180.04 3hhm n TYR 557 N -3.25 0.65 0.12 2.45 9.36 0.10 -3.78 117.16 122.80 3hhm n TYR 557 Ca 0.02 0.19 -0.03 0.00 3.32 0.00 0.00 57.90 61.40 3hhm n TYR 557 Cb 0.74 -0.75 0.16 0.00 -0.63 0.00 0.00 39.34 38.85 3hhm n TYR 557 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hhm n VAL 559 N -3.84 0.00 0.24 0.00 0.31 -1.25 0.80 118.33 114.59 3hhm n VAL 559 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 3hhm n VAL 559 Cb 0.61 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 32.56 3hhm n VAL 559 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hhm n THR 560 N -0.80 0.00 -3.85 2.52 -2.24 -1.02 -4.69 114.28 104.22 3hhm n THR 560 Ca 0.00 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 3hhm n THR 560 Cb 0.00 0.89 -0.12 0.00 -2.10 0.00 0.00 70.33 69.00 3hhm n THR 560 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hhm s ILE 561 N -1.73 2.60 0.47 2.28 1.01 0.24 -5.01 121.20 121.05 3hhm s ILE 561 Ca 0.02 -4.05 0.13 0.00 0.00 0.00 0.00 60.65 56.74 3hhm s ILE 561 Cb 0.05 -2.71 0.27 0.00 0.01 0.00 0.00 42.46 40.08 3hhm s ILE 561 CO 0.26 -1.02 2.10 -0.65 0.00 0.00 0.00 174.94 175.63 3hhm h PRO 562 N 5.49 0.23 0.00 2.79 0.11 -1.83 -2.76 132.00 136.02 3hhm h PRO 562 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3hhm h PRO 562 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3hhm h PRO 562 CO 0.68 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 3hhm n GLU 563 N -4.51 0.35 0.02 1.05 0.00 -1.26 -2.34 120.64 113.96 3hhm n GLU 563 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 57.16 57.38 3hhm n GLU 563 Cb 0.10 -1.50 0.55 0.00 0.00 0.00 0.00 31.44 30.59 3hhm n GLU 563 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hhm n ILE 564 N -1.20 0.23 -0.37 3.84 -5.35 -1.04 -4.43 119.36 111.03 3hhm n ILE 564 Ca 0.10 -0.02 0.01 0.00 -0.27 0.00 0.00 62.75 62.57 3hhm n ILE 564 Cb 0.12 -0.58 0.08 0.00 -1.74 0.00 0.00 39.64 37.51 3hhm n ILE 564 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3hhm n LEU 565 N -1.66 -0.54 -0.29 7.28 7.94 -0.99 -0.01 117.00 128.73 3hhm n LEU 565 Ca 0.06 1.73 0.08 0.00 -1.11 0.00 0.00 56.01 56.77 3hhm n LEU 565 Cb 0.34 -0.44 0.31 0.00 0.53 0.00 0.00 43.42 44.15 3hhm n LEU 565 CO 0.26 -1.59 1.23 1.55 -1.11 0.00 0.00 177.39 177.73 3hhm h PRO 566 N 0.00 0.83 -0.08 1.96 0.13 -1.88 0.11 132.00 133.07 3hhm h PRO 566 Ca 0.39 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.44 3hhm h PRO 566 Cb 0.64 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 3hhm h PRO 566 CO -1.00 0.55 -0.06 0.87 -0.23 0.00 0.00 178.00 178.13 3hhm h LYS 567 N 0.85 0.18 -0.90 0.86 1.79 -0.74 -2.52 116.57 116.10 3hhm h LYS 567 Ca 0.43 -0.09 0.09 0.00 -2.18 0.00 0.00 60.65 58.90 3hhm h LYS 567 Cb 0.49 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.06 3hhm h LYS 567 CO -0.19 0.59 0.55 1.25 -1.08 0.00 0.00 179.45 180.56 3hhm h LEU 568 N -0.22 0.82 -1.46 2.94 5.85 -1.01 -1.27 115.31 120.96 3hhm h LEU 568 Ca 0.02 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hhm h LEU 568 Cb 0.54 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3hhm h LEU 568 CO 0.02 0.48 0.06 -0.07 -0.34 0.00 0.00 178.44 178.58 3hhm h LEU 569 N 0.93 0.38 0.00 2.25 3.38 -0.68 0.21 115.31 121.77 3hhm h LEU 569 Ca 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3hhm h LEU 569 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hhm h LEU 569 CO -0.23 0.40 0.00 0.18 0.09 0.00 0.00 178.44 178.88 3hhm n LEU 570 N -4.36 0.00 -0.02 1.67 4.77 -0.53 -3.24 117.00 115.28 3hhm n LEU 570 Ca 0.01 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 3hhm n LEU 570 Cb 0.18 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 3hhm n LEU 570 CO 0.37 -0.01 -0.61 -1.20 -1.33 0.00 0.00 177.39 174.61 3hhm n SER 571 N -1.26 0.63 -4.70 -1.43 7.64 0.02 -4.95 113.62 109.58 3hhm n SER 571 Ca 0.15 0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.89 3hhm n SER 571 Cb 0.22 0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 3hhm n SER 571 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3hhm n VAL 572 N -2.90 1.92 -2.86 0.44 0.31 -0.94 -4.88 118.33 109.42 3hhm n VAL 572 Ca -0.18 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.24 3hhm n VAL 572 Cb 0.99 -1.57 -0.04 0.00 -0.91 0.00 0.00 33.84 32.32 3hhm n VAL 572 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hhm s LYS 573 N -1.76 3.17 0.48 5.55 1.02 -1.26 -4.90 119.74 122.04 3hhm s LYS 573 Ca 0.56 -0.94 0.33 0.00 0.02 0.00 0.00 55.97 55.94 3hhm s LYS 573 Cb -0.57 -4.32 1.56 0.00 -0.52 0.00 0.00 37.83 33.98 3hhm s LYS 573 CO 0.61 -1.82 1.98 -1.49 -0.92 0.00 0.00 175.35 173.72 3hhm h TRP 574 N 9.50 0.00 -0.48 3.18 4.06 -1.94 -1.18 115.95 129.09 3hhm h TRP 574 Ca -0.24 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.49 3hhm h TRP 574 Cb 1.06 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.09 3hhm h TRP 574 CO 0.99 0.00 0.29 0.27 -3.56 0.00 0.00 178.44 176.43 3hhm n ASN 575 N -2.76 3.41 -3.65 -3.49 0.23 -1.26 -4.22 115.26 103.52 3hhm n ASN 575 Ca -0.00 -2.78 -0.29 0.00 -0.53 0.00 0.00 54.58 50.98 3hhm n ASN 575 Cb 0.18 -0.66 -0.16 0.00 -2.08 0.00 0.00 39.78 37.06 3hhm n ASN 575 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3hhm s SER 576 N -0.23 3.42 0.36 0.53 0.15 -0.44 -4.86 113.70 112.62 3hhm s SER 576 Ca 0.29 -1.22 0.09 0.00 0.70 0.00 0.00 55.95 55.82 3hhm s SER 576 Cb 0.24 -0.54 0.84 0.00 -1.71 0.00 0.00 66.02 64.85 3hhm s SER 576 CO 0.06 -0.39 1.88 0.08 1.20 0.00 0.00 173.24 176.07 3hhm h ARG 577 N 8.28 0.65 -0.23 5.44 0.11 -1.83 -1.25 114.38 125.55 3hhm h ARG 577 Ca -0.17 -0.04 0.01 0.00 0.10 0.00 0.00 59.98 59.88 3hhm h ARG 577 Cb 1.05 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 3hhm h ARG 577 CO 0.41 0.43 0.13 -0.44 0.10 0.00 0.00 179.97 180.60 3hhm h ASP 578 N 0.67 0.20 -0.16 0.08 5.19 -1.95 -1.50 116.42 118.95 3hhm h ASP 578 Ca 0.43 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.73 3hhm h ASP 578 Cb 0.70 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3hhm h ASP 578 CO -0.19 0.15 -0.35 -0.33 -3.12 0.00 0.00 179.24 175.41 3hhm h GLU 579 N 0.26 0.52 -0.84 3.56 5.08 -1.72 -3.17 114.58 118.28 3hhm h GLU 579 Ca 0.09 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3hhm h GLU 579 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3hhm h GLU 579 CO -0.05 0.95 0.45 0.28 -1.00 0.00 0.00 179.01 179.64 3hhm h VAL 580 N 0.15 1.25 -0.72 3.13 2.07 -1.18 -0.43 116.25 120.53 3hhm h VAL 580 Ca 0.00 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3hhm h VAL 580 Cb 0.95 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3hhm h VAL 580 CO 0.08 0.28 0.45 0.00 0.02 0.00 0.00 177.57 178.40 3hhm h ALA 581 N 1.24 0.95 -0.58 1.67 0.00 -1.35 -1.16 119.26 120.03 3hhm h ALA 581 Ca 0.29 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3hhm h ALA 581 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hhm h ALA 581 CO -0.04 0.22 0.09 1.96 0.00 0.00 0.00 179.25 181.47 3hhm h GLN 582 N 0.87 0.94 -0.43 0.00 4.20 -1.28 -2.66 115.11 116.75 3hhm h GLN 582 Ca 0.30 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hhm h GLN 582 Cb 0.05 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3hhm h GLN 582 CO -0.12 0.88 0.24 1.98 -0.67 0.00 0.00 178.83 181.14 3hhm h MET 583 N 0.89 0.60 -0.79 1.46 4.05 -0.41 -1.54 114.93 119.18 3hhm h MET 583 Ca 0.18 -0.07 0.10 0.00 -0.28 0.00 0.00 59.70 59.63 3hhm h MET 583 Cb 0.40 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.01 3hhm h MET 583 CO 0.01 0.47 0.43 1.88 0.23 0.00 0.00 176.91 179.94 3hhm h TYR 584 N 0.57 0.78 -0.04 1.39 0.99 -1.09 0.15 116.97 119.74 3hhm h TYR 584 Ca 0.15 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.93 3hhm h TYR 584 Cb 0.04 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 37.52 3hhm h TYR 584 CO -0.02 0.30 -0.05 0.00 -0.00 0.00 0.00 178.16 178.39 3hhm h LEU 586 N -0.08 0.10 -1.41 0.00 3.38 -0.75 -2.66 115.31 113.89 3hhm h LEU 586 Ca 0.04 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3hhm h LEU 586 Cb 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3hhm h LEU 586 CO -0.08 0.12 0.47 0.58 0.09 0.00 0.00 178.44 179.62 3hhm h VAL 587 N 0.07 0.98 -1.00 1.22 2.07 -0.60 -2.66 116.25 116.32 3hhm h VAL 587 Ca 0.03 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3hhm h VAL 587 Cb 0.04 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 3hhm h VAL 587 CO -0.01 0.13 0.66 0.50 0.02 0.00 0.00 177.57 178.87 3hhm h LYS 588 N 0.69 1.32 -1.52 1.57 3.64 -0.51 -2.93 116.57 118.83 3hhm h LYS 588 Ca 0.32 -0.08 -0.53 0.00 -1.27 0.00 0.00 60.65 59.09 3hhm h LYS 588 Cb 0.35 -0.30 -0.41 0.00 -0.41 0.00 0.00 32.23 31.46 3hhm h LYS 588 CO -0.11 0.88 -0.85 -0.40 -2.27 0.00 0.00 179.45 176.69 3hhm n ASP 589 N -4.38 3.71 -4.76 4.20 3.85 -1.12 -5.05 116.55 112.99 3hhm n ASP 589 Ca 0.12 -3.44 -0.40 0.00 -0.71 0.00 0.00 54.79 50.36 3hhm n ASP 589 Cb 0.01 -0.50 -0.06 0.00 -1.35 0.00 0.00 41.12 39.23 3hhm n ASP 589 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 3hhm s TRP 590 N -3.38 3.90 0.59 2.11 -0.11 -1.02 -5.03 118.94 116.00 3hhm s TRP 590 Ca 0.43 1.73 -0.18 0.00 1.22 0.00 0.00 56.10 59.29 3hhm s TRP 590 Cb 0.40 -2.88 -0.06 0.00 -1.50 0.00 0.00 33.47 29.42 3hhm s TRP 590 CO -0.12 0.42 0.81 -2.30 -4.62 0.00 0.00 176.95 171.14 3hhm n PRO 591 N 1.90 0.75 -2.07 5.86 -0.02 -1.26 -4.94 135.00 135.21 3hhm n PRO 591 Ca -0.03 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 3hhm n PRO 591 Cb 0.48 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 3hhm n PRO 591 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hhm s PRO 592 N -2.53 3.41 0.23 0.52 0.04 -1.26 -4.98 135.00 130.42 3hhm s PRO 592 Ca 0.74 1.12 0.12 0.00 0.04 0.00 0.00 61.00 63.02 3hhm s PRO 592 Cb -0.43 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 3hhm s PRO 592 CO 0.49 -0.73 -0.22 0.96 0.04 0.00 0.00 177.00 177.54 3hhm s ILE 593 N -2.55 2.39 0.36 0.56 -4.36 -1.26 -4.99 121.20 111.34 3hhm s ILE 593 Ca 0.62 -2.17 -0.28 0.00 -0.26 0.00 0.00 60.65 58.55 3hhm s ILE 593 Cb -0.15 -2.19 -0.11 0.00 1.25 0.00 0.00 42.46 41.26 3hhm s ILE 593 CO 0.38 -0.23 1.45 0.29 0.24 0.00 0.00 174.94 177.07 3hhm n LYS 594 N -0.07 2.54 -0.32 0.37 5.02 -1.26 -4.70 118.16 119.74 3hhm n LYS 594 Ca -0.10 0.89 0.22 0.00 -2.02 0.00 0.00 58.31 57.30 3hhm n LYS 594 Cb 0.57 -2.59 0.49 0.00 -0.02 0.00 0.00 35.03 33.49 3hhm n LYS 594 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hhm h PRO 595 N 3.09 0.41 -0.40 1.97 0.11 -1.89 0.23 132.00 135.52 3hhm h PRO 595 Ca -0.49 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.68 3hhm h PRO 595 Cb 1.25 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3hhm h PRO 595 CO 0.66 0.27 -0.12 0.93 -0.21 0.00 0.00 178.00 179.53 3hhm h GLU 596 N 0.42 -0.02 -0.02 1.05 3.07 -1.99 -2.23 114.58 114.86 3hhm h GLU 596 Ca 0.58 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.33 3hhm h GLU 596 Cb 1.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.33 3hhm h GLU 596 CO -0.29 -0.01 -0.53 1.96 -1.40 0.00 0.00 179.01 178.74 3hhm h GLN 597 N -0.02 0.07 0.00 2.33 4.20 -0.90 -3.03 115.11 117.75 3hhm h GLN 597 Ca 0.19 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 3hhm h GLN 597 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3hhm h GLN 597 CO -0.42 0.58 -0.22 0.00 -0.67 0.00 0.00 178.83 178.09 3hhm h ALA 598 N 1.41 1.61 -0.30 3.87 0.00 -0.92 -3.03 119.26 121.90 3hhm h ALA 598 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3hhm h ALA 598 Cb 0.95 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hhm h ALA 598 CO 0.07 0.28 -0.36 0.52 0.00 0.00 0.00 179.25 179.76 3hhm h MET 599 N 0.00 0.68 -0.95 0.00 2.86 -1.30 -1.24 114.93 114.98 3hhm h MET 599 Ca -0.00 -0.33 0.28 0.00 -2.06 0.00 0.00 59.70 57.59 3hhm h MET 599 Cb 0.40 -0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.91 3hhm h MET 599 CO 0.03 0.94 0.41 1.49 1.06 0.00 0.00 176.91 180.84 3hhm h GLU 600 N 0.57 0.26 0.00 1.72 4.81 -1.63 -0.96 114.58 119.34 3hhm h GLU 600 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3hhm h GLU 600 Cb 0.88 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3hhm h GLU 600 CO 0.08 0.17 0.00 1.28 -0.73 0.00 0.00 179.01 179.81 3hhm n LEU 601 N -5.14 0.00 -0.58 1.64 4.77 -0.47 -2.67 117.00 114.55 3hhm n LEU 601 Ca 0.27 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 3hhm n LEU 601 Cb 0.85 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 3hhm n LEU 601 CO 0.08 0.00 0.49 0.18 -1.33 0.00 0.00 177.39 176.80 3hhm n LEU 602 N -0.96 2.24 0.00 2.23 4.77 -0.37 -4.55 117.00 120.36 3hhm n LEU 602 Ca 0.17 -1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.05 3hhm n LEU 602 Cb 0.08 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3hhm n LEU 602 CO 0.13 0.42 0.14 -0.90 -1.33 0.00 0.00 177.39 175.85 3hhm n ASP 603 N 0.80 -0.25 0.28 -1.43 5.68 -1.09 -4.88 116.55 115.66 3hhm n ASP 603 Ca 0.09 -0.98 0.17 0.00 -0.50 0.00 0.00 54.79 53.57 3hhm n ASP 603 Cb 0.36 -0.17 0.67 0.00 -1.14 0.00 0.00 41.12 40.84 3hhm n ASP 603 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hhm n ASN 605 N -3.09 0.00 -3.27 0.00 5.03 -1.26 -4.22 115.26 108.45 3hhm n ASN 605 Ca 0.01 -0.56 -0.25 0.00 0.87 0.00 0.00 54.58 54.65 3hhm n ASN 605 Cb 0.31 -0.07 -0.08 0.00 -1.02 0.00 0.00 39.78 38.92 3hhm n ASN 605 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3hhm n TYR 606 N -1.07 0.04 0.25 3.10 4.01 -1.15 -4.95 117.16 117.38 3hhm n TYR 606 Ca 0.16 -3.60 0.14 0.00 -0.16 0.00 0.00 57.90 54.45 3hhm n TYR 606 Cb 0.11 -0.27 0.39 0.00 -0.31 0.00 0.00 39.34 39.26 3hhm n TYR 606 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hhm h PRO 607 N 4.35 0.00 -6.43 -0.72 0.13 -1.81 -3.44 132.00 124.10 3hhm h PRO 607 Ca 0.12 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.72 3hhm h PRO 607 Cb 0.86 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.00 3hhm h PRO 607 CO 0.49 0.00 0.97 0.34 -0.23 0.00 0.00 178.00 179.57 3hhm s ASP 608 N -5.98 6.66 0.58 1.44 -1.08 -1.26 -4.83 116.67 112.20 3hhm s ASP 608 Ca 0.05 2.40 0.28 0.00 -0.52 0.00 0.00 52.55 54.75 3hhm s ASP 608 Cb 0.07 -2.56 1.71 0.00 -1.46 0.00 0.00 42.92 40.67 3hhm s ASP 608 CO 0.61 -0.85 2.19 1.55 0.52 0.00 0.00 175.17 179.19 3hhm h PRO 609 N 8.27 0.00 -0.14 4.34 0.13 -1.97 -1.77 132.00 140.86 3hhm h PRO 609 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 3hhm h PRO 609 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hhm h PRO 609 CO 0.92 0.00 -0.33 1.98 -0.23 0.00 0.00 178.00 180.34 3hhm h MET 610 N 0.00 0.47 -0.48 0.86 4.05 -1.98 -1.72 114.93 116.13 3hhm h MET 610 Ca 0.03 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 3hhm h MET 610 Cb 0.18 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3hhm h MET 610 CO -0.00 0.93 0.30 0.28 0.23 0.00 0.00 176.91 178.65 3hhm h VAL 611 N 0.08 1.14 0.00 -5.77 2.07 -1.72 -2.32 116.25 109.72 3hhm h VAL 611 Ca -0.00 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3hhm h VAL 611 Cb 0.94 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3hhm h VAL 611 CO 0.07 0.14 -0.40 0.03 0.02 0.00 0.00 177.57 177.43 3hhm h ARG 612 N 0.64 0.00 -0.30 1.57 3.08 -1.44 -2.42 114.38 115.51 3hhm h ARG 612 Ca 0.17 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 3hhm h ARG 612 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3hhm h ARG 612 CO -0.03 0.40 -0.35 0.78 -1.07 0.00 0.00 179.97 179.69 3hhm h GLY 613 N 1.67 0.85 0.80 0.04 0.00 -0.94 -1.14 103.07 104.35 3hhm h GLY 613 Ca -0.00 -0.89 0.04 0.00 0.00 0.00 0.00 47.33 46.47 3hhm h GLY 613 CO 0.05 0.81 0.34 -2.75 0.00 0.00 0.00 176.54 174.99 3hhm h PHE 614 N 0.54 0.63 -0.24 5.60 3.57 -1.26 -1.71 116.94 124.07 3hhm h PHE 614 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3hhm h PHE 614 Cb 0.94 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3hhm h PHE 614 CO 0.07 0.34 0.14 0.00 -2.23 0.00 0.00 178.31 176.64 3hhm h ALA 615 N 1.28 0.30 -0.24 2.41 0.00 -1.08 -2.32 119.26 119.63 3hhm h ALA 615 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3hhm h ALA 615 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hhm h ALA 615 CO -0.13 -0.19 -0.05 0.28 0.00 0.00 0.00 179.25 179.16 3hhm h VAL 616 N 0.30 1.18 -0.26 0.00 2.07 -1.05 -2.26 116.25 116.22 3hhm h VAL 616 Ca 0.09 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 3hhm h VAL 616 Cb 0.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hhm h VAL 616 CO -0.02 0.24 -0.24 0.03 0.02 0.00 0.00 177.57 177.60 3hhm h ARG 617 N 0.35 0.50 0.07 1.57 3.08 -0.85 -1.15 114.38 117.95 3hhm h ARG 617 Ca 0.08 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3hhm h ARG 617 Cb 0.32 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3hhm h ARG 617 CO 0.01 0.70 -0.05 0.00 -1.07 0.00 0.00 179.97 179.57 3hhm h LEU 619 N -0.12 0.27 -1.76 0.00 4.07 -1.19 0.17 115.31 116.74 3hhm h LEU 619 Ca -0.00 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3hhm h LEU 619 Cb 0.10 0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3hhm h LEU 619 CO -0.00 0.17 0.00 -0.33 -1.08 0.00 0.00 178.44 177.20 3hhm h GLU 620 N 0.44 0.00 0.00 1.13 5.08 -1.12 -2.36 114.58 117.75 3hhm h GLU 620 Ca 0.29 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.36 3hhm h GLU 620 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3hhm h GLU 620 CO -0.27 0.00 -2.10 1.63 -1.00 0.00 0.00 179.01 177.27 3hhm n LYS 621 N -2.67 0.72 0.00 2.33 5.02 -0.45 -4.85 118.16 118.27 3hhm n LYS 621 Ca -0.01 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3hhm n LYS 621 Cb 0.14 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3hhm n LYS 621 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hhm n TYR 622 N -2.95 0.00 -2.44 2.13 4.01 0.46 -4.98 117.16 113.38 3hhm n TYR 622 Ca -0.32 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 56.99 3hhm n TYR 622 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.91 3hhm n TYR 622 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hhm s LEU 623 N -2.09 4.02 0.73 7.72 1.43 -0.90 -4.87 118.68 124.72 3hhm s LEU 623 Ca 0.00 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 3hhm s LEU 623 Cb 0.00 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.72 3hhm s LEU 623 CO 0.00 -0.92 1.11 0.42 0.23 0.00 0.00 176.35 177.19 3hhm s THR 624 N 3.92 3.20 0.41 5.49 -4.23 -1.26 -4.88 115.64 118.29 3hhm s THR 624 Ca 0.55 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.61 3hhm s THR 624 Cb -0.19 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3hhm s THR 624 CO 0.18 -0.44 1.99 0.44 -0.54 0.00 0.00 174.62 176.25 3hhm h ASP 625 N -0.69 0.28 0.34 3.99 3.32 -1.98 -0.87 116.42 120.81 3hhm h ASP 625 Ca -0.45 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 3hhm h ASP 625 Cb 1.24 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3hhm h ASP 625 CO 0.52 0.32 -0.39 -0.78 -1.72 0.00 0.00 179.24 177.19 3hhm h ASP 626 N 0.31 -1.08 -0.30 6.45 3.58 -1.92 -0.93 116.42 122.53 3hhm h ASP 626 Ca 0.07 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.53 3hhm h ASP 626 Cb 0.18 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 3hhm h ASP 626 CO 0.00 -0.53 -0.12 0.11 -2.88 0.00 0.00 179.24 175.83 3hhm h LYS 627 N -0.77 0.72 -0.37 0.28 6.56 -1.88 -1.04 116.57 120.07 3hhm h LYS 627 Ca -0.02 -0.24 0.02 0.00 -1.06 0.00 0.00 60.65 59.36 3hhm h LYS 627 Cb 0.70 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.27 3hhm h LYS 627 CO -0.10 0.81 0.20 1.25 -2.06 0.00 0.00 179.45 179.55 3hhm h LEU 628 N 0.65 0.30 -0.61 2.94 5.85 -1.10 -0.31 115.31 123.03 3hhm h LEU 628 Ca 0.11 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3hhm h LEU 628 Cb 0.58 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3hhm h LEU 628 CO 0.04 0.22 0.33 0.28 -0.34 0.00 0.00 178.44 178.97 3hhm h SER 629 N 0.40 0.49 -0.93 1.25 0.02 -0.76 0.14 113.55 114.16 3hhm h SER 629 Ca 0.15 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3hhm h SER 629 Cb 0.04 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 3hhm h SER 629 CO -0.09 0.32 0.62 -0.61 -1.14 0.00 0.00 176.83 175.93 3hhm h GLN 630 N 0.62 1.21 -0.41 3.45 5.75 -0.37 -3.13 115.11 122.23 3hhm h GLN 630 Ca 0.27 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3hhm h GLN 630 Cb 0.16 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.44 3hhm h GLN 630 CO -0.17 0.80 0.00 0.66 -2.65 0.00 0.00 178.83 177.46 3hhm n TYR 631 N -4.40 0.84 -0.25 3.99 0.53 -0.20 -4.67 117.16 112.99 3hhm n TYR 631 Ca 0.11 -0.62 0.00 0.00 -1.02 0.00 0.00 57.90 56.37 3hhm n TYR 631 Cb 0.03 -0.15 0.12 0.00 -1.03 0.00 0.00 39.34 38.32 3hhm n TYR 631 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 3hhm h LEU 632 N 2.53 0.55 -0.76 7.72 5.85 -0.92 -1.22 115.31 129.05 3hhm h LEU 632 Ca 0.00 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.93 3hhm h LEU 632 Cb 1.09 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.94 3hhm h LEU 632 CO 0.11 0.33 0.21 0.40 -0.34 0.00 0.00 178.44 179.15 3hhm h ILE 633 N 0.68 0.50 -0.17 4.05 2.04 -1.84 0.12 117.51 122.90 3hhm h ILE 633 Ca 0.33 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.98 3hhm h ILE 633 Cb 0.27 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3hhm h ILE 633 CO -0.22 0.05 -0.34 1.56 0.00 0.00 0.00 178.15 179.20 3hhm h GLN 634 N 0.29 0.53 0.00 2.37 7.50 -1.61 -2.69 115.11 121.51 3hhm h GLN 634 Ca 0.44 -0.34 -0.04 0.00 0.50 0.00 0.00 58.65 59.21 3hhm h GLN 634 Cb 0.76 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.33 3hhm h GLN 634 CO -0.52 0.95 -0.18 -0.07 -1.50 0.00 0.00 178.83 177.51 3hhm h LEU 635 N 0.18 0.00 -0.13 1.46 3.38 -0.46 -0.98 115.31 118.75 3hhm h LEU 635 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3hhm h LEU 635 Cb 0.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 3hhm h LEU 635 CO 0.08 0.18 -0.51 0.58 0.09 0.00 0.00 178.44 178.85 3hhm h VAL 636 N 0.00 1.34 -0.63 1.22 2.07 -0.79 -3.18 116.25 116.29 3hhm h VAL 636 Ca -0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3hhm h VAL 636 Cb 0.37 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3hhm h VAL 636 CO 0.02 0.55 0.41 1.56 0.02 0.00 0.00 177.57 180.13 3hhm h GLN 637 N 0.22 0.84 0.00 1.57 1.08 -1.05 -2.29 115.11 115.48 3hhm h GLN 637 Ca -0.03 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3hhm h GLN 637 Cb 1.15 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 3hhm h GLN 637 CO 0.11 0.57 0.00 0.28 -0.95 0.00 0.00 178.83 178.84 3hhm h VAL 638 N 0.86 0.00 -0.03 -0.54 2.07 -1.25 -1.25 116.25 116.12 3hhm h VAL 638 Ca 0.23 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3hhm h VAL 638 Cb -0.08 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3hhm h VAL 638 CO -0.05 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 177.55 3hhm h LEU 639 N 0.00 0.00 -0.58 2.57 3.38 -1.38 -2.49 115.31 116.81 3hhm h LEU 639 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3hhm h LEU 639 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hhm h LEU 639 CO 0.00 0.00 -0.51 0.11 0.09 0.00 0.00 178.44 178.13 3hhm h LYS 640 N 0.00 0.00 -0.00 1.13 1.57 -1.39 -3.08 116.57 114.80 3hhm h LYS 640 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hhm h LYS 640 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hhm h LYS 640 CO -0.00 0.51 -0.01 0.66 -0.57 0.00 0.00 179.45 180.05 3hhm n TYR 641 N -3.47 0.00 -2.49 -1.35 0.53 -0.94 -4.83 117.16 104.62 3hhm n TYR 641 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.47 3hhm n TYR 641 Cb 0.63 -0.33 -0.04 0.00 -1.03 0.00 0.00 39.34 38.56 3hhm n TYR 641 CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 3hhm s GLU 642 N -2.67 4.60 0.21 -0.72 2.56 -1.17 -4.94 118.70 116.57 3hhm s GLU 642 Ca 0.25 1.77 -0.04 0.00 0.00 0.00 0.00 54.97 56.95 3hhm s GLU 642 Cb 0.20 -3.24 0.17 0.00 2.00 0.00 0.00 34.13 33.26 3hhm s GLU 642 CO 0.48 0.11 1.60 1.96 -0.56 0.00 0.00 175.26 178.85 3hhm h GLN 643 N 4.62 0.71 -6.29 4.30 4.20 -1.90 -3.46 115.11 117.29 3hhm h GLN 643 Ca -0.45 -0.32 -0.58 0.00 0.06 0.00 0.00 58.65 57.35 3hhm h GLN 643 Cb 1.21 -0.01 -0.20 0.00 0.30 0.00 0.00 27.48 28.78 3hhm h GLN 643 CO 0.71 0.93 -0.82 0.71 -0.67 0.00 0.00 178.83 179.69 3hhm s TYR 644 N -4.44 1.98 0.12 2.96 1.51 -1.26 -5.03 117.35 113.19 3hhm s TYR 644 Ca -0.09 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.39 3hhm s TYR 644 Cb 0.13 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 3hhm s TYR 644 CO 0.84 0.33 1.65 -0.07 -1.11 0.00 0.00 175.55 177.19 3hhm h LEU 645 N 3.60 0.50 -8.90 -1.29 3.38 -1.93 -3.38 115.31 107.28 3hhm h LEU 645 Ca -0.46 -0.18 -0.61 0.00 0.09 0.00 0.00 57.88 56.72 3hhm h LEU 645 Cb 1.19 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 3hhm h LEU 645 CO 0.45 0.55 0.27 -0.62 0.09 0.00 0.00 178.44 179.18 3hhm s ASP 646 N -5.83 6.58 0.31 -0.43 -1.08 -1.26 -4.90 116.67 110.06 3hhm s ASP 646 Ca -0.13 0.55 -0.14 0.00 -0.52 0.00 0.00 52.55 52.31 3hhm s ASP 646 Cb 0.09 -2.37 0.02 0.00 -1.46 0.00 0.00 42.92 39.21 3hhm s ASP 646 CO 0.75 -0.54 0.62 0.54 0.52 0.00 0.00 175.17 177.05 3hhm s ASN 647 N 1.63 0.09 0.47 -0.34 4.22 -1.26 -5.06 114.94 114.69 3hhm s ASN 647 Ca 0.29 -1.02 0.27 0.00 -2.14 0.00 0.00 52.86 50.25 3hhm s ASN 647 Cb -0.15 0.71 0.72 0.00 1.28 0.00 0.00 41.25 43.81 3hhm s ASN 647 CO 0.12 -1.37 1.75 -0.07 -2.04 0.00 0.00 177.10 175.49 3hhm h LEU 648 N 2.10 0.00 0.02 3.54 3.38 -1.96 -2.88 115.31 119.51 3hhm h LEU 648 Ca -0.26 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 3hhm h LEU 648 Cb 1.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.01 3hhm h LEU 648 CO 0.35 0.03 -0.74 0.25 0.09 0.00 0.00 178.44 178.41 3hhm h LEU 649 N 0.00 0.62 -0.88 1.67 5.85 -1.97 -1.95 115.31 118.65 3hhm h LEU 649 Ca -0.00 -0.78 -0.03 0.00 0.84 0.00 0.00 57.88 57.91 3hhm h LEU 649 Cb 0.83 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3hhm h LEU 649 CO 0.00 1.32 0.39 -0.37 -0.34 0.00 0.00 178.44 179.44 3hhm h VAL 650 N -0.01 1.26 -0.42 1.05 -1.51 -1.90 -0.90 116.25 113.82 3hhm h VAL 650 Ca -0.10 -0.74 0.03 0.00 -1.23 0.00 0.00 66.70 64.66 3hhm h VAL 650 Cb 1.45 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.79 3hhm h VAL 650 CO 0.15 0.31 0.22 0.03 -1.23 0.00 0.00 177.57 177.05 3hhm h ARG 651 N 1.18 0.44 0.44 5.19 3.08 -1.53 0.77 114.38 123.95 3hhm h ARG 651 Ca 0.28 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3hhm h ARG 651 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3hhm h ARG 651 CO -0.03 0.29 -0.21 0.35 -1.07 0.00 0.00 179.97 179.30 3hhm h PHE 652 N 0.45 -0.55 0.29 3.04 3.57 -1.06 -1.34 116.94 121.34 3hhm h PHE 652 Ca 0.17 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hhm h PHE 652 Cb 0.05 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3hhm h PHE 652 CO -0.09 -0.31 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.48 3hhm h LEU 653 N -0.65 -0.33 -0.80 0.59 3.38 -1.10 -1.74 115.31 114.66 3hhm h LEU 653 Ca -0.06 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.95 3hhm h LEU 653 Cb 0.48 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3hhm h LEU 653 CO 0.10 -0.12 0.41 0.25 0.09 0.00 0.00 178.44 179.17 3hhm h LEU 654 N -0.52 0.52 -0.46 1.67 5.85 -0.89 0.24 115.31 121.72 3hhm h LEU 654 Ca -0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3hhm h LEU 654 Cb 0.39 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3hhm h LEU 654 CO 0.06 0.26 0.25 0.50 -0.34 0.00 0.00 178.44 179.17 3hhm h LYS 655 N 0.64 0.64 -0.64 1.25 3.64 -1.05 -1.07 116.57 119.97 3hhm h LYS 655 Ca 0.41 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 3hhm h LYS 655 Cb 0.51 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3hhm h LYS 655 CO -0.32 0.51 0.14 0.87 -2.27 0.00 0.00 179.45 178.38 3hhm h LYS 656 N 0.60 1.04 -0.68 1.90 1.79 -0.17 -1.28 116.57 119.77 3hhm h LYS 656 Ca 0.16 -0.26 0.07 0.00 -2.18 0.00 0.00 60.65 58.44 3hhm h LYS 656 Cb 0.06 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 3hhm h LYS 656 CO -0.03 0.95 0.45 0.00 -1.08 0.00 0.00 179.45 179.75 3hhm h ALA 657 N 1.05 1.78 -0.04 3.86 0.00 -0.32 -0.45 119.26 125.15 3hhm h ALA 657 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hhm h ALA 657 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hhm h ALA 657 CO 0.01 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3hhm n LEU 658 N -4.48 1.81 -0.06 0.00 4.77 -0.43 -3.51 117.00 115.10 3hhm n LEU 658 Ca 0.10 -0.62 -0.02 0.00 -0.03 0.00 0.00 56.01 55.44 3hhm n LEU 658 Cb 0.26 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 3hhm n LEU 658 CO 0.34 0.31 -0.94 0.41 -1.33 0.00 0.00 177.39 176.17 3hhm n THR 659 N 0.42 0.77 -3.60 -5.08 -1.04 -0.49 -4.76 114.28 100.49 3hhm n THR 659 Ca 0.18 -0.62 -0.27 0.00 -2.04 0.00 0.00 64.05 61.30 3hhm n THR 659 Cb 0.40 -0.32 -0.17 0.00 -1.82 0.00 0.00 70.33 68.42 3hhm n THR 659 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3hhm s ASN 660 N -4.78 2.64 0.42 8.00 3.84 -0.30 -4.46 114.94 120.30 3hhm s ASN 660 Ca -0.08 -0.78 0.12 0.00 0.21 0.00 0.00 52.86 52.33 3hhm s ASN 660 Cb 0.08 -0.28 0.89 0.00 -0.55 0.00 0.00 41.25 41.39 3hhm s ASN 660 CO 0.73 -0.37 1.95 -0.61 -2.79 0.00 0.00 177.10 176.01 3hhm h GLN 661 N 8.41 0.12 0.03 0.43 4.15 -1.48 0.33 115.11 127.11 3hhm h GLN 661 Ca -0.16 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 3hhm h GLN 661 Cb 1.12 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3hhm h GLN 661 CO 0.33 0.28 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.40 3hhm h ARG 662 N 0.11 -0.04 -0.08 1.69 2.43 -1.87 0.16 114.38 116.79 3hhm h ARG 662 Ca 0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3hhm h ARG 662 Cb 0.35 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3hhm h ARG 662 CO 0.02 0.10 -0.10 0.82 -1.51 0.00 0.00 179.97 179.31 3hhm h ILE 663 N -0.18 0.73 -0.78 1.20 2.04 -1.58 -2.92 117.51 116.03 3hhm h ILE 663 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 3hhm h ILE 663 Cb 0.16 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 36.87 3hhm h ILE 663 CO 0.01 0.00 0.30 1.23 0.00 0.00 0.00 178.15 179.69 3hhm h GLY 664 N -0.13 1.19 0.39 5.37 0.00 -0.17 -1.37 103.07 108.35 3hhm h GLY 664 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.28 3hhm h GLY 664 CO -0.16 -0.13 -0.31 0.84 0.00 0.00 0.00 176.54 176.78 3hhm h HIS 665 N 0.42 -0.85 0.00 5.60 -0.00 -0.48 -0.62 115.15 119.22 3hhm h HIS 665 Ca 0.44 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.70 3hhm h HIS 665 Cb 0.69 0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 3hhm h HIS 665 CO -0.17 -0.41 -0.61 0.74 -0.00 0.00 0.00 177.93 177.47 3hhm h PHE 666 N -0.50 0.00 -0.48 5.26 0.04 -1.49 -2.33 116.94 117.44 3hhm h PHE 666 Ca 0.05 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.88 3hhm h PHE 666 Cb 0.56 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.65 3hhm h PHE 666 CO -0.31 0.61 0.16 0.35 -0.60 0.00 0.00 178.31 178.53 3hhm h PHE 667 N 0.00 0.28 0.52 -0.55 3.57 -1.04 0.10 116.94 119.82 3hhm h PHE 667 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3hhm h PHE 667 Cb 1.18 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 3hhm h PHE 667 CO 0.00 0.09 -0.42 0.35 -2.23 0.00 0.00 178.31 176.10 3hhm h PHE 668 N 0.33 -1.13 -0.33 0.41 3.57 -0.68 -2.43 116.94 116.67 3hhm h PHE 668 Ca 0.23 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3hhm h PHE 668 Cb 0.25 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3hhm h PHE 668 CO -0.17 -0.60 -0.08 -1.49 -2.23 0.00 0.00 178.31 173.75 3hhm h TRP 669 N -0.93 0.59 -0.40 0.41 4.06 -1.19 0.30 115.95 118.79 3hhm h TRP 669 Ca -0.06 -0.08 -0.10 0.00 2.06 0.00 0.00 58.89 60.71 3hhm h TRP 669 Cb 0.79 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 3hhm h TRP 669 CO -0.18 0.62 -0.15 0.45 -3.56 0.00 0.00 178.44 175.62 3hhm h HIS 670 N 0.52 0.82 -0.08 0.49 3.86 -0.80 -0.59 115.15 119.36 3hhm h HIS 670 Ca 0.10 -0.16 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 3hhm h HIS 670 Cb 0.45 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3hhm h HIS 670 CO 0.02 0.84 -0.33 -0.07 0.86 0.00 0.00 177.93 179.25 3hhm h LEU 671 N 0.66 0.42 -1.06 2.43 3.38 -0.99 -3.28 115.31 116.88 3hhm h LEU 671 Ca 0.11 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.47 3hhm h LEU 671 Cb 0.63 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3hhm h LEU 671 CO 0.04 0.99 0.63 0.50 0.09 0.00 0.00 178.44 180.70 3hhm h LYS 672 N -0.12 1.19 0.00 1.13 3.11 -0.33 -2.63 116.57 118.92 3hhm h LYS 672 Ca -0.02 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3hhm h LYS 672 Cb 0.97 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 3hhm h LYS 672 CO 0.07 0.79 0.00 -1.13 -2.81 0.00 0.00 179.45 176.36 3hhm n SER 673 N -4.44 0.09 -0.31 4.20 3.41 -0.24 -2.00 113.62 114.34 3hhm n SER 673 Ca 0.13 0.53 0.03 0.00 -0.26 0.00 0.00 58.87 59.30 3hhm n SER 673 Cb 0.09 -0.55 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3hhm n SER 673 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hhm n GLU 674 N -1.61 1.35 0.22 4.33 1.02 -0.99 -4.15 120.64 120.81 3hhm n GLU 674 Ca 0.02 -1.33 0.13 0.00 -0.02 0.00 0.00 57.16 55.96 3hhm n GLU 674 Cb 0.12 -1.14 0.75 0.00 -0.02 0.00 0.00 31.44 31.15 3hhm n GLU 674 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3hhm h MET 675 N 1.22 0.00 0.00 3.49 2.86 -1.42 -1.20 114.93 119.87 3hhm h MET 675 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3hhm h MET 675 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3hhm h MET 675 CO 0.00 0.00 -0.08 1.12 1.06 0.00 0.00 176.91 179.01 3hhm h HIS 676 N 0.00 0.00 -3.49 -0.22 2.07 -1.84 -3.41 115.15 108.26 3hhm h HIS 676 Ca 0.05 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.99 3hhm h HIS 676 Cb 0.24 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.12 3hhm h HIS 676 CO 0.00 0.08 0.74 1.21 -3.07 0.00 0.00 177.93 176.89 3hhm s ASN 677 N -5.88 6.48 0.51 3.10 3.04 -0.45 -4.82 114.94 116.93 3hhm s ASN 677 Ca -0.02 0.10 0.22 0.00 0.04 0.00 0.00 52.86 53.20 3hhm s ASN 677 Cb 0.12 -2.49 1.38 0.00 -1.54 0.00 0.00 41.25 38.71 3hhm s ASN 677 CO 0.55 -1.22 2.10 0.11 -3.04 0.00 0.00 177.10 175.60 3hhm h LYS 678 N 9.26 0.00 0.00 0.43 1.79 -1.86 0.51 116.57 126.70 3hhm h LYS 678 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3hhm h LYS 678 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3hhm h LYS 678 CO 1.10 0.10 0.00 0.25 -1.08 0.00 0.00 179.45 179.81 3hhm n THR 679 N -4.03 0.29 0.00 -0.16 -2.24 -1.26 -3.70 114.28 103.18 3hhm n THR 679 Ca -0.02 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3hhm n THR 679 Cb 0.18 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3hhm n THR 679 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hhm n VAL 680 N -1.14 0.00 -0.35 2.28 0.31 -0.40 -4.91 118.33 114.12 3hhm n VAL 680 Ca 0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.36 3hhm n VAL 680 Cb 0.08 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.97 3hhm n VAL 680 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3hhm n SER 681 N -0.03 -0.79 -0.05 4.52 7.64 0.03 -1.35 113.62 123.59 3hhm n SER 681 Ca 0.00 1.54 -0.11 0.00 1.01 0.00 0.00 58.87 61.30 3hhm n SER 681 Cb 0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 3hhm n SER 681 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3hhm h GLN 682 N 0.00 0.29 -0.62 1.43 4.15 -1.88 0.57 115.11 119.05 3hhm h GLN 682 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3hhm h GLN 682 Cb 0.42 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 3hhm h GLN 682 CO -0.83 0.43 0.39 -0.09 -1.93 0.00 0.00 178.83 176.80 3hhm h ARG 683 N 0.10 0.83 0.12 1.69 2.43 -1.82 -0.04 114.38 117.68 3hhm h ARG 683 Ca 0.06 -0.06 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 3hhm h ARG 683 Cb 0.28 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3hhm h ARG 683 CO 0.00 0.57 -1.23 0.74 -1.51 0.00 0.00 179.97 178.54 3hhm h PHE 684 N 0.84 0.90 -0.38 2.20 0.05 -1.08 -2.45 116.94 117.02 3hhm h PHE 684 Ca 0.22 -0.58 -0.00 0.00 3.82 0.00 0.00 57.97 61.44 3hhm h PHE 684 Cb -0.06 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 37.80 3hhm h PHE 684 CO -0.03 1.42 0.23 0.78 -0.18 0.00 0.00 178.31 180.54 3hhm h GLY 685 N 0.57 0.56 0.79 -1.45 0.00 0.25 0.38 103.07 104.15 3hhm h GLY 685 Ca -0.17 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 46.95 3hhm h GLY 685 CO 0.23 0.22 -0.03 1.41 0.00 0.00 0.00 176.54 178.37 3hhm h LEU 686 N 0.51 -0.11 0.10 3.11 4.07 -1.04 0.22 115.31 122.17 3hhm h LEU 686 Ca 0.14 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 3hhm h LEU 686 Cb -0.00 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 3hhm h LEU 686 CO -0.03 -0.04 -0.07 0.25 -1.08 0.00 0.00 178.44 177.47 3hhm h LEU 687 N -0.01 -0.18 -0.97 1.67 6.46 -1.19 -2.00 115.31 119.09 3hhm h LEU 687 Ca 0.05 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.93 3hhm h LEU 687 Cb 0.08 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.99 3hhm h LEU 687 CO -0.11 -0.11 0.60 -0.07 -0.62 0.00 0.00 178.44 178.13 3hhm h LEU 688 N -0.17 0.89 -0.08 2.25 3.38 -0.03 -0.79 115.31 120.76 3hhm h LEU 688 Ca -0.00 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hhm h LEU 688 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hhm h LEU 688 CO -0.00 0.49 0.02 -0.08 0.09 0.00 0.00 178.44 178.96 3hhm h GLU 689 N 0.98 0.05 -0.57 1.13 4.81 -0.05 0.16 114.58 121.09 3hhm h GLU 689 Ca 0.47 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.66 3hhm h GLU 689 Cb 0.43 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3hhm h GLU 689 CO -0.25 0.04 0.20 0.66 -0.73 0.00 0.00 179.01 178.92 3hhm h SER 690 N 0.05 0.81 -0.22 1.04 4.64 -0.83 -1.92 113.55 117.12 3hhm h SER 690 Ca 0.04 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3hhm h SER 690 Cb 0.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3hhm h SER 690 CO -0.05 0.78 0.07 0.22 -0.87 0.00 0.00 176.83 176.99 3hhm h TYR 691 N 0.79 0.13 -0.04 4.77 3.20 -0.85 -2.81 116.97 122.15 3hhm h TYR 691 Ca 0.19 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3hhm h TYR 691 Cb 0.25 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3hhm h TYR 691 CO 0.01 0.06 -0.30 0.00 -1.64 0.00 0.00 178.16 176.29 3hhm h ARG 693 N 0.07 0.00 -0.00 0.00 2.43 -1.13 -3.30 114.38 112.45 3hhm h ARG 693 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hhm h ARG 693 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hhm h ARG 693 CO 0.04 0.17 -0.01 0.00 -1.51 0.00 0.00 179.97 178.66 3hhm n ALA 694 N -2.18 2.31 0.23 2.80 0.00 -0.75 -4.70 120.51 118.22 3hhm n ALA 694 Ca 0.01 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.26 3hhm n ALA 694 Cb 0.42 -0.01 0.44 0.00 0.00 0.00 0.00 19.45 20.29 3hhm n ALA 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhm n GLY 696 N 0.32 0.82 0.01 0.00 0.00 -1.26 -4.29 105.19 100.79 3hhm n GLY 696 Ca 0.01 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.75 3hhm n GLY 696 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hhm n MET 697 N 4.32 0.02 0.21 1.61 2.81 -1.26 -3.00 117.12 121.84 3hhm n MET 697 Ca 0.00 0.22 0.09 0.00 -1.81 0.00 0.00 57.70 56.19 3hhm n MET 697 Cb 0.00 -1.54 0.45 0.00 -0.71 0.00 0.00 33.22 31.43 3hhm n MET 697 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3hhm h TYR 698 N 0.00 0.00 -0.99 2.03 3.20 -1.97 -2.71 116.97 116.53 3hhm h TYR 698 Ca 0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 3hhm h TYR 698 Cb 0.31 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.49 3hhm h TYR 698 CO 0.00 0.27 0.62 1.25 -1.64 0.00 0.00 178.16 178.66 3hhm h LEU 699 N 0.00 0.83 -0.48 2.82 5.85 -1.85 0.36 115.31 122.84 3hhm h LEU 699 Ca -0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hhm h LEU 699 Cb 0.73 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3hhm h LEU 699 CO 0.03 0.39 0.22 0.50 -0.34 0.00 0.00 178.44 179.24 3hhm h LYS 700 N 0.86 0.69 -0.13 1.25 1.63 -1.72 0.73 116.57 119.87 3hhm h LYS 700 Ca 0.52 -0.10 -0.09 0.00 -0.85 0.00 0.00 60.65 60.13 3hhm h LYS 700 Cb 0.69 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3hhm h LYS 700 CO -0.29 0.59 -0.31 0.45 -3.45 0.00 0.00 179.45 176.44 3hhm h HIS 701 N 0.62 0.28 -0.15 1.91 3.86 -1.10 -2.37 115.15 118.21 3hhm h HIS 701 Ca 0.16 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 3hhm h HIS 701 Cb 0.13 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3hhm h HIS 701 CO -0.01 0.54 -0.15 -0.07 0.86 0.00 0.00 177.93 179.10 3hhm h LEU 702 N 0.22 0.39 -1.40 2.43 3.38 0.00 -2.54 115.31 117.80 3hhm h LEU 702 Ca 0.03 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.62 3hhm h LEU 702 Cb 0.66 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3hhm h LEU 702 CO 0.05 0.79 0.50 0.78 0.09 0.00 0.00 178.44 180.65 3hhm h ASN 703 N 0.00 0.61 -0.34 -0.43 2.35 -0.76 0.12 115.58 117.13 3hhm h ASN 703 Ca 0.02 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3hhm h ASN 703 Cb 0.68 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 3hhm h ASN 703 CO 0.04 0.36 -0.18 0.03 -1.65 0.00 0.00 177.43 176.03 3hhm h ARG 704 N 0.68 0.81 -0.40 0.81 3.08 -1.32 -1.62 114.38 116.42 3hhm h ARG 704 Ca 0.35 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3hhm h ARG 704 Cb 0.46 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3hhm h ARG 704 CO -0.13 0.93 -0.20 1.96 -1.07 0.00 0.00 179.97 181.47 3hhm h GLN 705 N 0.72 0.78 -0.29 0.04 4.20 -0.66 -2.38 115.11 117.53 3hhm h GLN 705 Ca 0.11 -0.30 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 3hhm h GLN 705 Cb 0.70 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3hhm h GLN 705 CO 0.05 0.91 -0.36 0.28 -0.67 0.00 0.00 178.83 179.05 3hhm h VAL 706 N 0.68 1.30 -0.17 -0.54 2.07 -0.70 -2.10 116.25 116.79 3hhm h VAL 706 Ca 0.10 -1.54 0.05 0.00 0.82 0.00 0.00 66.70 66.13 3hhm h VAL 706 Cb 0.70 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 3hhm h VAL 706 CO 0.05 0.49 -0.14 -0.33 0.02 0.00 0.00 177.57 177.66 3hhm h GLU 707 N 0.50 -0.15 -0.02 1.57 5.08 -1.25 -0.72 114.58 119.59 3hhm h GLU 707 Ca 0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3hhm h GLU 707 Cb 0.94 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3hhm h GLU 707 CO 0.08 -0.10 -0.24 0.00 -1.00 0.00 0.00 179.01 177.75 3hhm h ALA 708 N 0.95 -0.30 -0.52 3.43 0.00 -1.36 -1.88 119.26 119.57 3hhm h ALA 708 Ca 0.11 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hhm h ALA 708 Cb 0.31 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hhm h ALA 708 CO -0.27 -0.74 0.35 0.52 0.00 0.00 0.00 179.25 179.11 3hhm h MET 709 N -0.36 0.63 -0.24 0.00 2.86 -1.14 -1.94 114.93 114.74 3hhm h MET 709 Ca 0.07 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 3hhm h MET 709 Cb 0.46 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3hhm h MET 709 CO -0.23 0.42 -0.47 0.93 1.06 0.00 0.00 176.91 178.62 3hhm h GLU 710 N 0.65 0.62 -0.10 1.72 4.39 -0.44 0.38 114.58 121.80 3hhm h GLU 710 Ca 0.20 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3hhm h GLU 710 Cb 0.01 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3hhm h GLU 710 CO -0.05 0.96 0.01 0.87 -1.16 0.00 0.00 179.01 179.63 3hhm h LYS 711 N 0.50 0.17 -0.29 2.33 1.79 -0.84 -0.90 116.57 119.34 3hhm h LYS 711 Ca 0.03 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 3hhm h LYS 711 Cb 1.00 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 3hhm h LYS 711 CO 0.09 0.41 0.03 -0.07 -1.08 0.00 0.00 179.45 178.83 3hhm h LEU 712 N -0.08 -0.05 -0.14 2.94 4.07 -1.25 0.32 115.31 121.12 3hhm h LEU 712 Ca 0.03 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.08 3hhm h LEU 712 Cb 0.32 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 3hhm h LEU 712 CO 0.00 0.01 -0.12 0.40 -1.08 0.00 0.00 178.44 177.65 3hhm h ILE 713 N 0.12 0.66 -1.01 1.22 2.04 -0.86 -0.76 117.51 118.92 3hhm h ILE 713 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 3hhm h ILE 713 Cb 0.16 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3hhm h ILE 713 CO -0.20 0.00 0.67 -1.13 0.00 0.00 0.00 178.15 177.49 3hhm h ASN 714 N -0.14 1.14 0.10 1.72 -0.00 -0.69 -0.99 115.58 116.72 3hhm h ASN 714 Ca 0.09 -0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.37 3hhm h ASN 714 Cb 0.27 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3hhm h ASN 714 CO -0.22 0.80 -0.05 0.25 -0.00 0.00 0.00 177.43 178.21 3hhm h LEU 715 N 1.33 -0.12 -0.00 0.34 6.46 0.15 -2.74 115.31 120.72 3hhm h LEU 715 Ca 0.38 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3hhm h LEU 715 Cb -0.09 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3hhm h LEU 715 CO -0.10 0.01 -0.02 0.35 -0.62 0.00 0.00 178.44 178.05 3hhm n THR 716 N -5.11 0.00 -0.04 1.05 -2.24 -0.34 -2.52 114.28 105.09 3hhm n THR 716 Ca -0.08 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3hhm n THR 716 Cb 0.12 -0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 3hhm n THR 716 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hhm h ASP 717 N 0.01 0.38 0.03 3.42 5.19 -1.00 -2.50 116.42 121.94 3hhm h ASP 717 Ca 0.00 -0.61 0.02 0.00 -0.62 0.00 0.00 57.03 55.81 3hhm h ASP 717 Cb 0.47 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 3hhm h ASP 717 CO 0.00 0.93 -0.13 0.40 -3.12 0.00 0.00 179.24 177.32 3hhm h ILE 718 N -0.15 0.68 -0.01 0.35 2.04 -1.19 -1.05 117.51 118.17 3hhm h ILE 718 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3hhm h ILE 718 Cb 0.90 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3hhm h ILE 718 CO 0.06 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.18 3hhm h LEU 719 N -0.24 0.00 0.01 1.44 3.38 -1.59 -3.03 115.31 115.28 3hhm h LEU 719 Ca 0.04 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 3hhm h LEU 719 Cb 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3hhm h LEU 719 CO -0.11 0.00 -2.27 0.29 0.09 0.00 0.00 178.44 176.45 3hhm n LYS 720 N -3.23 0.68 0.00 1.13 5.02 -0.64 -4.64 118.16 116.47 3hhm n LYS 720 Ca -0.03 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3hhm n LYS 720 Cb 0.12 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3hhm n LYS 720 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hhm n GLN 721 N -3.02 0.00 -0.39 1.97 6.02 -0.49 -4.87 117.38 116.59 3hhm n GLN 721 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 3hhm n GLN 721 Cb 1.08 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.34 3hhm n GLN 721 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hhm n GLU 722 N -0.92 0.00 -3.20 -1.09 2.13 -1.15 -1.05 120.64 115.36 3hhm n GLU 722 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3hhm n GLU 722 Cb 0.00 -0.39 -0.04 0.00 0.27 0.00 0.00 31.44 31.28 3hhm n GLU 722 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hhm n LYS 723 N 1.36 -0.87 -3.73 5.31 4.76 -1.26 -4.87 118.16 118.87 3hhm n LYS 723 Ca 0.00 0.07 -0.36 0.00 -2.87 0.00 0.00 58.31 55.15 3hhm n LYS 723 Cb 0.10 -2.39 -0.10 0.00 -1.84 0.00 0.00 35.03 30.80 3hhm n LYS 723 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hhm s LYS 724 N -4.55 2.52 0.00 1.97 -0.14 -0.21 -4.77 119.74 114.56 3hhm s LYS 724 Ca 0.35 -2.49 0.13 0.00 -1.36 0.00 0.00 55.97 52.61 3hhm s LYS 724 Cb -0.21 -3.71 0.22 0.00 -1.68 0.00 0.00 37.83 32.45 3hhm s LYS 724 CO 0.55 -1.17 1.05 -0.25 -0.76 0.00 0.00 175.35 174.77 3hhm n ASP 725 N 3.55 0.39 -3.83 2.83 8.00 -1.26 -4.36 116.55 121.87 3hhm n ASP 725 Ca 0.07 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.34 3hhm n ASP 725 Cb 0.38 -0.17 0.22 0.00 -0.02 0.00 0.00 41.12 41.53 3hhm n ASP 725 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hhm s GLU 726 N 0.00 -0.43 0.37 -1.24 2.02 -1.26 -4.99 118.70 113.16 3hhm s GLU 726 Ca 0.18 -0.38 -0.28 0.00 0.02 0.00 0.00 54.97 54.50 3hhm s GLU 726 Cb 0.20 -1.72 -0.11 0.00 0.10 0.00 0.00 34.13 32.60 3hhm s GLU 726 CO -0.09 -3.14 1.43 0.25 0.02 0.00 0.00 175.26 173.74 3hhm n THR 727 N -4.28 1.98 -0.28 3.63 -2.24 -1.26 -4.71 114.28 107.12 3hhm n THR 727 Ca 0.16 -0.50 0.27 0.00 -2.27 0.00 0.00 64.05 61.72 3hhm n THR 727 Cb 0.59 -1.86 0.50 0.00 -2.10 0.00 0.00 70.33 67.47 3hhm n THR 727 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hhm n GLN 728 N 0.50 -0.05 -0.29 -0.78 0.00 -1.26 0.96 117.38 116.45 3hhm n GLN 728 Ca 0.02 1.20 -0.05 0.00 -0.00 0.00 0.00 57.00 58.17 3hhm n GLN 728 Cb 0.38 -2.15 0.07 0.00 0.00 0.00 0.00 30.24 28.54 3hhm n GLN 728 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 3hhm h LYS 729 N 0.00 1.12 -0.13 3.69 3.64 -1.99 -1.58 116.57 121.31 3hhm h LYS 729 Ca 0.73 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.97 3hhm h LYS 729 Cb 1.93 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 3hhm h LYS 729 CO -0.67 0.83 0.06 0.28 -2.27 0.00 0.00 179.45 177.68 3hhm h VAL 730 N 1.11 1.14 -0.40 2.00 2.07 0.26 -1.93 116.25 120.50 3hhm h VAL 730 Ca 0.28 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3hhm h VAL 730 Cb 0.05 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3hhm h VAL 730 CO -0.04 0.12 0.27 1.56 0.02 0.00 0.00 177.57 179.50 3hhm h GLN 731 N 0.06 0.33 -0.22 1.57 4.20 -1.30 -1.57 115.11 118.18 3hhm h GLN 731 Ca 0.04 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 3hhm h GLN 731 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3hhm h GLN 731 CO -0.00 0.22 -0.47 0.52 -0.67 0.00 0.00 178.83 178.42 3hhm h MET 732 N 0.34 0.57 0.13 1.46 2.86 -0.84 -1.49 114.93 117.96 3hhm h MET 732 Ca 0.17 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3hhm h MET 732 Cb 0.25 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3hhm h MET 732 CO -0.04 0.92 -0.09 0.87 1.06 0.00 0.00 176.91 179.63 3hhm h LYS 733 N 0.46 -0.22 -0.40 1.72 1.79 -0.53 -1.23 116.57 118.16 3hhm h LYS 733 Ca 0.03 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3hhm h LYS 733 Cb 0.99 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.64 3hhm h LYS 733 CO 0.09 -0.15 0.10 0.35 -1.08 0.00 0.00 179.45 178.76 3hhm h PHE 734 N -0.23 0.17 -0.40 -1.35 3.57 -1.41 -2.05 116.94 115.24 3hhm h PHE 734 Ca -0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3hhm h PHE 734 Cb 0.20 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3hhm h PHE 734 CO -0.10 0.04 0.23 1.25 -2.23 0.00 0.00 178.31 177.50 3hhm h LEU 735 N 0.24 0.38 -0.86 0.59 5.85 -1.11 -1.78 115.31 118.61 3hhm h LEU 735 Ca 0.19 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3hhm h LEU 735 Cb 0.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3hhm h LEU 735 CO -0.24 0.27 0.40 0.58 -0.34 0.00 0.00 178.44 179.12 3hhm h VAL 736 N 0.47 1.26 -0.04 1.05 2.07 -1.00 -2.35 116.25 117.72 3hhm h VAL 736 Ca 0.16 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hhm h VAL 736 Cb 0.01 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3hhm h VAL 736 CO -0.07 0.32 0.01 -0.33 0.02 0.00 0.00 177.57 177.51 3hhm h GLU 737 N 1.21 0.06 -0.56 1.57 5.08 -1.06 -3.13 114.58 117.76 3hhm h GLU 737 Ca 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3hhm h GLU 737 Cb 0.13 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3hhm h GLU 737 CO -0.04 0.27 0.21 1.96 -1.00 0.00 0.00 179.01 180.42 3hhm h GLN 738 N -0.17 0.82 0.00 2.33 7.50 -1.23 -3.04 115.11 121.32 3hhm h GLN 738 Ca 0.01 -0.13 -0.10 0.00 0.50 0.00 0.00 58.65 58.93 3hhm h GLN 738 Cb 0.24 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 3hhm h GLN 738 CO 0.00 0.68 -0.48 0.52 -1.50 0.00 0.00 178.83 178.05 3hhm h MET 739 N 0.80 0.00 0.00 1.46 2.86 -1.45 -2.95 114.93 115.65 3hhm h MET 739 Ca 0.19 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3hhm h MET 739 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3hhm h MET 739 CO -0.02 0.48 -0.21 0.00 1.06 0.00 0.00 176.91 178.23 3hhm h ARG 740 N 0.00 0.00 -6.90 1.72 3.08 -1.47 -3.32 114.38 107.49 3hhm h ARG 740 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3hhm h ARG 740 Cb 1.14 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.30 3hhm h ARG 740 CO 0.06 0.21 0.72 0.54 -1.07 0.00 0.00 179.97 180.43 3hhm n ARG 741 N -3.27 2.56 -0.24 0.04 1.74 -1.12 -4.80 116.66 111.58 3hhm n ARG 741 Ca 0.01 0.90 0.04 0.00 -0.77 0.00 0.00 57.85 58.03 3hhm n ARG 741 Cb 0.49 -2.60 0.28 0.00 -1.02 0.00 0.00 32.46 29.61 3hhm n ARG 741 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hhm h PRO 742 N 2.85 0.91 -0.43 5.56 0.13 -1.89 -1.73 132.00 137.40 3hhm h PRO 742 Ca -0.50 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 3hhm h PRO 742 Cb 1.25 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3hhm h PRO 742 CO 0.64 0.60 0.11 0.38 -0.23 0.00 0.00 178.00 179.50 3hhm h ASP 743 N 0.94 0.58 0.01 1.44 2.03 -1.93 -0.79 116.42 118.71 3hhm h ASP 743 Ca 0.33 -0.08 -0.13 0.00 -0.73 0.00 0.00 57.03 56.42 3hhm h ASP 743 Cb 0.12 -0.15 0.01 0.00 -0.83 0.00 0.00 39.33 38.48 3hhm h ASP 743 CO -0.11 0.57 -0.52 0.15 -1.03 0.00 0.00 179.24 178.31 3hhm h PHE 744 N 0.62 0.49 -0.55 4.15 3.57 -1.66 -2.67 116.94 120.90 3hhm h PHE 744 Ca 0.14 -0.28 0.11 0.00 3.53 0.00 0.00 57.97 61.47 3hhm h PHE 744 Cb 0.22 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 3hhm h PHE 744 CO 0.01 1.11 0.03 0.52 -2.23 0.00 0.00 178.31 177.75 3hhm h MET 745 N -0.26 0.15 -0.45 1.11 2.86 -1.14 -0.90 114.93 116.30 3hhm h MET 745 Ca -0.07 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 3hhm h MET 745 Cb 1.26 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 3hhm h MET 745 CO 0.10 0.10 -0.07 -0.44 1.06 0.00 0.00 176.91 177.66 3hhm h ASP 746 N 0.15 0.76 0.63 1.22 3.45 -1.17 -2.93 116.42 118.54 3hhm h ASP 746 Ca 0.28 -0.21 -0.24 0.00 0.43 0.00 0.00 57.03 57.29 3hhm h ASP 746 Cb 0.43 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3hhm h ASP 746 CO -0.43 0.87 -1.08 0.00 -1.57 0.00 0.00 179.24 177.03 3hhm h ALA 747 N 1.20 0.27 -0.39 3.45 0.00 -1.08 -3.35 119.26 119.37 3hhm h ALA 747 Ca 0.13 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3hhm h ALA 747 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hhm h ALA 747 CO 0.03 0.98 0.00 1.28 0.00 0.00 0.00 179.25 181.54 3hhm n LEU 748 N -3.57 4.09 -4.14 0.00 4.77 -0.39 -4.11 117.00 113.66 3hhm n LEU 748 Ca -0.06 -2.71 -0.22 0.00 -0.03 0.00 0.00 56.01 53.00 3hhm n LEU 748 Cb 0.94 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 3hhm n LEU 748 CO 0.51 0.70 -0.47 -1.10 -1.33 0.00 0.00 177.39 175.70 3hhm s GLN 749 N -2.29 1.08 -0.17 3.23 -0.21 -1.11 -4.68 119.66 115.51 3hhm s GLN 749 Ca 0.42 -0.65 -0.00 0.00 0.02 0.00 0.00 55.36 55.15 3hhm s GLN 749 Cb 0.31 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 33.24 3hhm s GLN 749 CO 0.14 0.28 0.14 0.41 -2.12 0.00 0.00 175.29 174.14 3hhm n GLY 750 N 2.30 0.33 3.26 3.09 0.00 -0.26 -4.89 105.19 109.02 3hhm n GLY 750 Ca -0.16 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 3hhm n GLY 750 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hhm s PHE 751 N -3.05 0.50 0.29 1.61 -0.12 -0.88 -4.98 117.98 111.35 3hhm s PHE 751 Ca 0.00 -0.88 -0.22 0.00 -0.05 0.00 0.00 56.93 55.78 3hhm s PHE 751 Cb -0.00 -0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 42.11 3hhm s PHE 751 CO 0.10 -0.63 0.82 -0.51 -0.05 0.00 0.00 175.22 174.96 3hhm s LEU 752 N -2.98 4.28 -0.09 -1.99 1.43 -1.26 -0.62 118.68 117.45 3hhm s LEU 752 Ca 0.17 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.55 3hhm s LEU 752 Cb 0.05 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3hhm s LEU 752 CO -0.01 -0.06 1.44 -0.55 0.23 0.00 0.00 176.35 177.40 3hhm s SER 753 N -1.74 6.82 0.59 2.29 0.15 -0.09 -4.85 113.70 116.86 3hhm s SER 753 Ca 0.48 1.98 0.34 0.00 0.70 0.00 0.00 55.95 59.46 3hhm s SER 753 Cb -0.16 -2.54 1.86 0.00 -1.71 0.00 0.00 66.02 63.47 3hhm s SER 753 CO 0.21 -0.82 2.21 -0.65 1.20 0.00 0.00 173.24 175.39 3hhm h PRO 754 N 8.69 0.00 -0.35 5.44 0.11 -1.94 -1.19 132.00 142.76 3hhm h PRO 754 Ca -0.34 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.68 3hhm h PRO 754 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3hhm h PRO 754 CO 0.95 0.04 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.53 3hhm h LEU 755 N 0.00 0.64 -6.01 2.35 3.38 -1.97 -3.42 115.31 110.28 3hhm h LEU 755 Ca -0.00 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3hhm h LEU 755 Cb 0.16 -0.17 -0.21 0.00 0.09 0.00 0.00 40.66 40.52 3hhm h LEU 755 CO 0.00 0.83 -0.35 0.21 0.09 0.00 0.00 178.44 179.23 3hhm s ASN 756 N -6.76 -1.51 0.19 -0.43 3.04 -0.50 -4.95 114.94 104.03 3hhm s ASN 756 Ca -0.08 0.41 0.13 0.00 0.04 0.00 0.00 52.86 53.36 3hhm s ASN 756 Cb 0.14 2.06 0.70 0.00 -1.54 0.00 0.00 41.25 42.60 3hhm s ASN 756 CO 0.81 -0.29 1.39 -0.81 -3.04 0.00 0.00 177.10 175.16 3hhm n PRO 757 N 5.42 0.08 0.23 0.43 -0.04 -0.92 -0.60 135.00 139.61 3hhm n PRO 757 Ca 0.03 0.58 0.15 0.00 -0.04 0.00 0.00 63.50 64.22 3hhm n PRO 757 Cb 0.53 -1.77 0.48 0.00 -0.04 0.00 0.00 33.50 32.70 3hhm n PRO 757 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hhm h ALA 758 N 2.00 1.00 -2.07 0.55 0.00 -1.87 -3.42 119.26 115.45 3hhm h ALA 758 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3hhm h ALA 758 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 3hhm h ALA 758 CO 0.00 0.00 0.32 -1.01 0.00 0.00 0.00 179.25 178.56 3hhm s HIS 759 N -3.45 3.00 0.12 0.00 3.76 0.23 -1.31 115.29 117.65 3hhm s HIS 759 Ca 0.04 0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.77 3hhm s HIS 759 Cb 0.08 -3.62 -0.07 0.00 1.11 0.00 0.00 32.58 30.08 3hhm s HIS 759 CO 0.57 -0.97 1.25 -0.65 -0.85 0.00 0.00 174.74 174.09 3hhm s GLN 760 N 3.22 4.42 -0.36 1.40 -0.21 -1.26 -0.91 119.66 125.96 3hhm s GLN 760 Ca 0.29 1.90 -0.12 0.00 0.02 0.00 0.00 55.36 57.45 3hhm s GLN 760 Cb -0.12 -3.28 0.01 0.00 1.00 0.00 0.00 33.01 30.62 3hhm s GLN 760 CO 0.22 -0.25 0.23 -0.51 -2.12 0.00 0.00 175.29 172.86 3hhm s LEU 761 N 0.57 4.64 0.00 2.90 1.43 0.21 -4.41 118.68 124.03 3hhm s LEU 761 Ca 0.58 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3hhm s LEU 761 Cb -0.33 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3hhm s LEU 761 CO 0.32 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.19 3hhm n GLY 762 N 5.06 0.77 3.77 -3.19 0.00 -0.58 -1.10 105.19 109.93 3hhm n GLY 762 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 3hhm n GLY 762 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhm s ASN 763 N -1.00 7.39 0.45 1.61 0.02 -1.26 -2.43 114.94 119.72 3hhm s ASN 763 Ca 0.00 1.89 -0.24 0.00 -1.02 0.00 0.00 52.86 53.49 3hhm s ASN 763 Cb 0.00 -2.59 -0.07 0.00 0.02 0.00 0.00 41.25 38.61 3hhm s ASN 763 CO 0.00 -0.03 1.26 -0.76 0.02 0.00 0.00 177.10 177.59 3hhm s LEU 764 N -1.84 4.06 -0.73 0.60 1.43 -1.26 -0.50 118.68 120.45 3hhm s LEU 764 Ca 0.48 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.98 3hhm s LEU 764 Cb -0.21 -4.11 0.19 0.00 0.03 0.00 0.00 46.19 42.09 3hhm s LEU 764 CO 0.27 -1.02 0.66 -0.13 0.23 0.00 0.00 176.35 176.36 3hhm s ARG 765 N -2.55 3.33 0.32 1.70 0.52 0.36 -4.84 118.95 117.78 3hhm s ARG 765 Ca 0.62 -2.26 0.02 0.00 -0.52 0.00 0.00 55.73 53.59 3hhm s ARG 765 Cb -0.35 -4.32 0.58 0.00 0.52 0.00 0.00 34.95 31.38 3hhm s ARG 765 CO 0.43 -1.29 1.94 -0.07 0.02 0.00 0.00 175.30 176.33 3hhm h LEU 766 N 8.01 0.84 -1.96 2.53 4.07 -1.94 -1.51 115.31 125.36 3hhm h LEU 766 Ca -0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3hhm h LEU 766 Cb 1.05 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.60 3hhm h LEU 766 CO 0.82 0.56 -0.10 1.05 -1.08 0.00 0.00 178.44 179.69 3hhm h GLU 767 N 0.96 0.00 -0.00 1.13 9.09 -1.97 -2.28 114.58 121.51 3hhm h GLU 767 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3hhm h GLU 767 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3hhm h GLU 767 CO -0.12 0.10 -0.60 0.39 0.05 0.00 0.00 179.01 178.83 3hhm n GLU 768 N -4.05 0.08 -2.84 1.06 -0.58 -0.59 -4.89 120.64 108.82 3hhm n GLU 768 Ca -0.02 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 3hhm n GLU 768 Cb 0.18 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.52 3hhm n GLU 768 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hhm s ARG 770 N 1.88 0.61 -0.17 0.00 1.70 -0.49 -5.01 118.95 117.47 3hhm s ARG 770 Ca 0.42 -0.75 -0.26 0.00 -0.47 0.00 0.00 55.73 54.67 3hhm s ARG 770 Cb -0.17 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.44 3hhm s ARG 770 CO 0.15 -0.16 0.86 0.42 -1.08 0.00 0.00 175.30 175.49 3hhm s ILE 771 N -2.65 4.86 0.42 4.99 1.01 -1.26 -0.09 121.20 128.47 3hhm s ILE 771 Ca -0.05 1.68 -0.24 0.00 0.00 0.00 0.00 60.65 62.05 3hhm s ILE 771 Cb -0.01 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 3hhm s ILE 771 CO -0.05 0.01 1.10 -0.04 0.00 0.00 0.00 174.94 175.96 3hhm s MET 772 N 2.25 4.00 -0.21 2.79 -1.94 -0.50 -4.93 119.30 120.76 3hhm s MET 772 Ca 0.39 1.64 0.03 0.00 -1.71 0.00 0.00 55.69 56.04 3hhm s MET 772 Cb -0.16 -2.50 0.38 0.00 2.01 0.00 0.00 34.83 34.55 3hhm s MET 772 CO 0.12 -0.31 1.41 -1.13 -0.01 0.00 0.00 175.02 175.09 3hhm n SER 773 N -0.22 3.44 -2.75 3.03 3.41 -1.26 -4.09 113.62 115.18 3hhm n SER 773 Ca 0.06 -2.76 -0.07 0.00 -0.26 0.00 0.00 58.87 55.83 3hhm n SER 773 Cb 0.49 -0.66 0.06 0.00 -0.26 0.00 0.00 64.21 63.83 3hhm n SER 773 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hhm n SER 774 N -0.19 -1.28 0.08 4.04 7.64 -1.26 -4.93 113.62 117.70 3hhm n SER 774 Ca 0.28 -0.64 -0.13 0.00 1.01 0.00 0.00 58.87 59.39 3hhm n SER 774 Cb 1.03 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.92 3hhm n SER 774 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhm h ALA 775 N -2.17 -0.21 0.00 -0.43 0.00 -2.04 -3.28 119.26 111.13 3hhm h ALA 775 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hhm h ALA 775 Cb 0.29 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hhm h ALA 775 CO 0.06 -0.43 0.00 0.87 0.00 0.00 0.00 179.25 179.75 3hhm h LYS 776 N -0.57 0.00 -6.68 0.00 1.57 -1.93 -3.47 116.57 105.47 3hhm h LYS 776 Ca -0.02 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.22 3hhm h LYS 776 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3hhm h LYS 776 CO 0.03 0.00 -0.98 0.54 -0.57 0.00 0.00 179.45 178.47 3hhm n ARG 777 N -2.67 -0.76 -1.67 3.15 1.74 -1.24 -4.96 116.66 110.26 3hhm n ARG 777 Ca 0.02 0.22 -0.29 0.00 -0.77 0.00 0.00 57.85 57.03 3hhm n ARG 777 Cb 0.32 -3.22 0.14 0.00 -1.02 0.00 0.00 32.46 28.68 3hhm n ARG 777 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hhm s PRO 778 N -6.90 1.09 -0.05 5.56 0.04 -1.26 -4.60 135.00 128.87 3hhm s PRO 778 Ca 0.44 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 3hhm s PRO 778 Cb -0.21 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3hhm s PRO 778 CO 0.93 -2.19 0.51 -0.51 0.04 0.00 0.00 177.00 175.78 3hhm s LEU 779 N -5.96 4.37 -0.31 -3.56 1.43 -0.86 -1.41 118.68 112.38 3hhm s LEU 779 Ca 0.66 0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 54.67 3hhm s LEU 779 Cb -0.11 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.35 3hhm s LEU 779 CO 0.52 0.10 0.11 0.86 0.23 0.00 0.00 176.35 178.17 3hhm s TRP 780 N -0.02 3.17 0.13 0.29 -0.11 0.87 -0.17 118.94 123.10 3hhm s TRP 780 Ca 0.28 -0.95 0.09 0.00 1.22 0.00 0.00 56.10 56.74 3hhm s TRP 780 Cb -0.17 -2.29 -0.04 0.00 -1.50 0.00 0.00 33.47 29.47 3hhm s TRP 780 CO 0.14 -0.57 -0.14 -0.51 -4.62 0.00 0.00 176.95 171.24 3hhm s LEU 781 N 1.51 2.85 -0.10 5.86 1.43 -0.32 -1.40 118.68 128.51 3hhm s LEU 781 Ca 0.02 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3hhm s LEU 781 Cb -0.18 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.45 3hhm s LEU 781 CO 0.03 0.16 0.04 0.21 0.23 0.00 0.00 176.35 177.02 3hhm s ASN 782 N -2.37 1.84 0.11 2.29 3.84 -1.26 -1.85 114.94 117.54 3hhm s ASN 782 Ca 0.21 -0.27 0.05 0.00 0.21 0.00 0.00 52.86 53.06 3hhm s ASN 782 Cb -0.10 -0.33 -0.04 0.00 -0.55 0.00 0.00 41.25 40.23 3hhm s ASN 782 CO 0.12 -0.26 0.03 0.26 -2.79 0.00 0.00 177.10 174.46 3hhm s TRP 783 N 2.05 3.02 0.64 0.43 0.51 -0.01 -0.49 118.94 125.09 3hhm s TRP 783 Ca 0.03 -0.03 -0.13 0.00 -2.12 0.00 0.00 56.10 53.86 3hhm s TRP 783 Cb -0.14 -1.52 -0.02 0.00 -0.81 0.00 0.00 33.47 30.99 3hhm s TRP 783 CO -0.06 0.50 1.05 -1.21 -0.51 0.00 0.00 176.95 176.72 3hhm s GLU 784 N -2.54 3.16 -0.46 4.98 2.02 0.35 -1.44 118.70 124.78 3hhm s GLU 784 Ca 0.27 1.05 -0.15 0.00 0.02 0.00 0.00 54.97 56.16 3hhm s GLU 784 Cb -0.11 -2.02 0.06 0.00 0.10 0.00 0.00 34.13 32.16 3hhm s GLU 784 CO 0.20 -0.93 0.38 1.21 0.02 0.00 0.00 175.26 176.14 3hhm s ASN 785 N -3.37 6.14 0.00 -0.19 3.04 -1.26 -1.52 114.94 117.78 3hhm s ASN 785 Ca 0.60 -1.18 0.22 0.00 0.04 0.00 0.00 52.86 52.54 3hhm s ASN 785 Cb -0.14 -2.18 1.34 0.00 -1.54 0.00 0.00 41.25 38.73 3hhm s ASN 785 CO 0.46 -0.60 1.73 -0.81 -3.04 0.00 0.00 177.10 174.84 3hhm n PRO 786 N 5.23 0.74 -2.02 0.43 -0.04 -1.26 -4.67 135.00 133.41 3hhm n PRO 786 Ca -0.12 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.95 3hhm n PRO 786 Cb 0.45 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3hhm n PRO 786 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hhm s ASP 787 N -1.96 6.03 0.35 3.54 3.68 -1.26 -4.92 116.67 122.13 3hhm s ASP 787 Ca 0.34 2.63 0.05 0.00 2.13 0.00 0.00 52.55 57.70 3hhm s ASP 787 Cb 0.15 -2.63 0.70 0.00 -1.45 0.00 0.00 42.92 39.70 3hhm s ASP 787 CO 0.26 -1.04 1.96 0.40 0.13 0.00 0.00 175.17 176.88 3hhm h ILE 788 N 2.12 1.05 -0.54 4.11 5.03 -1.98 -2.84 117.51 124.46 3hhm h ILE 788 Ca -0.50 -0.27 -0.25 0.00 -0.12 0.00 0.00 64.86 63.72 3hhm h ILE 788 Cb 1.26 0.18 -0.15 0.00 -3.03 0.00 0.00 36.82 35.08 3hhm h ILE 788 CO 0.61 0.15 0.15 0.23 -0.68 0.00 0.00 178.15 178.60 3hhm n MET 789 N -4.47 2.28 0.00 2.37 2.81 -1.26 -4.90 117.12 113.94 3hhm n MET 789 Ca 0.10 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 3hhm n MET 789 Cb 0.19 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 3hhm n MET 789 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hhm n SER 790 N -0.95 0.00 -0.30 7.83 3.41 -1.07 -3.98 113.62 118.55 3hhm n SER 790 Ca 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 3hhm n SER 790 Cb 1.21 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 65.11 3hhm n SER 790 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hhm n GLU 791 N 0.00 -0.29 -1.72 4.33 -0.58 -1.23 0.29 120.64 121.45 3hhm n GLU 791 Ca 0.00 1.12 -0.42 0.00 -0.42 0.00 0.00 57.16 57.44 3hhm n GLU 791 Cb 0.00 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.21 3hhm n GLU 791 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hhm n LEU 792 N -4.96 6.46 0.00 -4.62 7.94 -1.26 -3.06 117.00 117.50 3hhm n LEU 792 Ca 0.03 -3.99 0.00 0.00 -1.11 0.00 0.00 56.01 50.93 3hhm n LEU 792 Cb 0.22 -1.61 0.00 0.00 0.53 0.00 0.00 43.42 42.56 3hhm n LEU 792 CO -0.11 0.89 0.00 0.18 -1.11 0.00 0.00 177.39 177.24 3hhm n LEU 793 N 6.41 0.00 0.00 -1.96 4.77 0.15 -4.90 117.00 121.46 3hhm n LEU 793 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3hhm n LEU 793 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hhm n LEU 793 CO 0.91 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 177.30 3hhm n PHE 794 N 0.00 -1.15 -3.61 -1.77 -0.00 0.80 -4.95 117.46 106.79 3hhm n PHE 794 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3hhm n PHE 794 Cb 0.00 0.42 -0.01 0.00 -0.00 0.00 0.00 39.48 39.89 3hhm n PHE 794 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3hhm s GLN 795 N -0.84 0.07 0.28 -4.13 -2.07 -1.25 -4.77 119.66 106.94 3hhm s GLN 795 Ca 0.00 -0.03 0.08 0.00 -1.82 0.00 0.00 55.36 53.59 3hhm s GLN 795 Cb 0.00 0.03 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 3hhm s GLN 795 CO 0.00 -0.03 0.13 0.54 -1.32 0.00 0.00 175.29 174.61 3hhm s ASN 796 N -2.45 5.06 -0.27 12.60 2.20 -1.26 -3.51 114.94 127.31 3hhm s ASN 796 Ca 0.13 -0.48 -0.02 0.00 -0.94 0.00 0.00 52.86 51.55 3hhm s ASN 796 Cb 0.03 -1.08 0.03 0.00 -2.00 0.00 0.00 41.25 38.23 3hhm s ASN 796 CO -0.04 -0.09 -0.03 0.21 -2.94 0.00 0.00 177.10 174.21 3hhm s ASN 797 N -3.80 4.60 -0.12 3.54 3.84 -0.52 -5.00 114.94 117.48 3hhm s ASN 797 Ca 0.34 -1.01 0.02 0.00 0.21 0.00 0.00 52.86 52.42 3hhm s ASN 797 Cb -0.06 -1.70 -0.00 0.00 -0.55 0.00 0.00 41.25 38.93 3hhm s ASN 797 CO 0.23 -0.18 -0.19 -1.61 -2.79 0.00 0.00 177.10 172.56 3hhm s GLU 798 N 1.31 3.18 -0.01 0.43 2.02 -1.26 -0.83 118.70 123.55 3hhm s GLU 798 Ca -0.02 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3hhm s GLU 798 Cb -0.18 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 3hhm s GLU 798 CO -0.03 0.16 -0.05 0.42 0.02 0.00 0.00 175.26 175.78 3hhm s ILE 799 N 0.44 0.42 -0.10 -1.63 1.01 -0.77 -2.07 121.20 118.49 3hhm s ILE 799 Ca -0.14 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 3hhm s ILE 799 Cb -0.17 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3hhm s ILE 799 CO 0.06 0.12 0.56 -0.63 0.00 0.00 0.00 174.94 175.05 3hhm s ILE 800 N -0.05 5.14 -0.47 2.92 -1.09 0.63 -1.17 121.20 127.10 3hhm s ILE 800 Ca 0.01 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 59.39 3hhm s ILE 800 Cb -0.03 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 37.01 3hhm s ILE 800 CO -0.00 0.29 0.45 0.12 -1.23 0.00 0.00 174.94 174.57 3hhm s PHE 801 N 0.74 3.18 -0.26 3.97 2.19 0.76 -1.18 117.98 127.38 3hhm s PHE 801 Ca 0.30 -0.74 -0.13 0.00 0.33 0.00 0.00 56.93 56.69 3hhm s PHE 801 Cb -0.16 -3.19 -0.04 0.00 -1.31 0.00 0.00 43.02 38.31 3hhm s PHE 801 CO 0.13 -0.83 0.29 0.15 1.83 0.00 0.00 175.22 176.79 3hhm s LYS 802 N 1.96 4.01 -0.21 10.12 1.02 0.15 -2.04 119.74 134.76 3hhm s LYS 802 Ca 0.08 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 55.98 3hhm s LYS 802 Cb -0.22 -3.63 0.05 0.00 -0.52 0.00 0.00 37.83 33.51 3hhm s LYS 802 CO 0.09 -0.19 -0.10 1.21 -0.92 0.00 0.00 175.35 175.45 3hhm s ASN 803 N 1.56 3.53 0.00 2.83 2.47 -1.26 -0.82 114.94 123.25 3hhm s ASN 803 Ca 0.12 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.44 3hhm s ASN 803 Cb -0.16 -1.24 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 3hhm s ASN 803 CO 0.09 -0.16 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 3hhm n GLY 804 N 4.67 3.47 3.72 1.21 0.00 -0.23 -5.03 105.19 112.98 3hhm n GLY 804 Ca -0.14 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3hhm n GLY 804 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhm s ASP 805 N -0.08 5.74 0.08 1.61 1.01 -1.26 -4.93 116.67 118.84 3hhm s ASP 805 Ca 0.00 0.21 -0.31 0.00 0.71 0.00 0.00 52.55 53.16 3hhm s ASP 805 Cb 0.00 -1.86 -0.09 0.00 1.01 0.00 0.00 42.92 41.98 3hhm s ASP 805 CO 0.00 0.29 1.76 -0.62 0.21 0.00 0.00 175.17 176.81 3hhm s ASP 806 N -0.35 6.52 0.00 0.27 -1.08 -1.26 -4.40 116.67 116.37 3hhm s ASP 806 Ca 0.09 2.60 0.14 0.00 -0.52 0.00 0.00 52.55 54.86 3hhm s ASP 806 Cb -0.12 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 3hhm s ASP 806 CO 0.02 -0.95 1.27 -0.11 0.52 0.00 0.00 175.17 175.91 3hhm n LEU 807 N 5.95 3.03 -0.04 -1.34 7.94 -1.26 -4.58 117.00 126.70 3hhm n LEU 807 Ca 0.17 -1.84 -0.11 0.00 -1.11 0.00 0.00 56.01 53.13 3hhm n LEU 807 Cb 0.40 -0.25 0.03 0.00 0.53 0.00 0.00 43.42 44.13 3hhm n LEU 807 CO 0.64 0.73 0.51 0.03 -1.11 0.00 0.00 177.39 178.20 3hhm h ARG 808 N 2.64 0.71 -0.00 1.96 3.08 -1.98 -2.38 114.38 118.41 3hhm h ARG 808 Ca 0.00 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 3hhm h ARG 808 Cb 0.77 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3hhm h ARG 808 CO 0.00 1.03 0.00 1.96 -1.07 0.00 0.00 179.97 181.89 3hhm h GLN 809 N 0.56 0.00 -0.59 0.04 7.50 -1.86 -0.67 115.11 120.09 3hhm h GLN 809 Ca 0.03 -0.00 0.12 0.00 0.50 0.00 0.00 58.65 59.30 3hhm h GLN 809 Cb 1.03 -0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.46 3hhm h GLN 809 CO 0.10 0.22 -0.03 -0.44 -1.50 0.00 0.00 178.83 177.18 3hhm h ASP 810 N -0.21 -0.31 0.11 1.46 3.32 -1.83 -0.03 116.42 118.92 3hhm h ASP 810 Ca 0.00 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3hhm h ASP 810 Cb 0.22 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3hhm h ASP 810 CO -0.00 -0.12 -0.15 -0.03 -1.72 0.00 0.00 179.24 177.21 3hhm h MET 811 N 0.09 -0.30 -0.46 3.56 4.05 -1.07 0.20 114.93 121.00 3hhm h MET 811 Ca 0.30 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.77 3hhm h MET 811 Cb 0.48 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3hhm h MET 811 CO -0.52 -0.20 0.25 1.25 0.23 0.00 0.00 176.91 177.92 3hhm h LEU 812 N -0.32 0.39 -0.34 3.39 5.85 -0.84 -0.80 115.31 122.64 3hhm h LEU 812 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hhm h LEU 812 Cb 0.32 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3hhm h LEU 812 CO -0.07 0.27 0.23 0.74 -0.34 0.00 0.00 178.44 179.27 3hhm h THR 813 N 0.50 1.09 -0.16 1.05 2.02 -0.49 -0.67 112.91 116.26 3hhm h THR 813 Ca 0.19 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 3hhm h THR 813 Cb 0.06 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hhm h THR 813 CO -0.11 0.09 -0.18 -0.07 0.37 0.00 0.00 175.52 175.61 3hhm h LEU 814 N 0.46 0.26 -0.18 2.58 3.38 -0.24 -0.67 115.31 120.90 3hhm h LEU 814 Ca 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hhm h LEU 814 Cb -0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hhm h LEU 814 CO -0.03 0.46 0.06 -0.61 0.09 0.00 0.00 178.44 178.42 3hhm h GLN 815 N 0.25 0.27 -0.74 1.13 4.15 -0.61 -2.29 115.11 117.28 3hhm h GLN 815 Ca 0.05 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3hhm h GLN 815 Cb 0.48 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 3hhm h GLN 815 CO 0.03 0.37 0.28 0.82 -1.93 0.00 0.00 178.83 178.40 3hhm h ILE 816 N 0.12 1.25 -0.66 2.39 2.04 -0.49 -1.19 117.51 120.99 3hhm h ILE 816 Ca 0.06 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3hhm h ILE 816 Cb 0.20 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3hhm h ILE 816 CO -0.00 0.33 0.42 0.40 0.00 0.00 0.00 178.15 179.30 3hhm h ILE 817 N 1.08 1.17 -0.72 -0.67 2.04 -1.13 0.26 117.51 119.54 3hhm h ILE 817 Ca 0.25 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3hhm h ILE 817 Cb 0.23 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3hhm h ILE 817 CO -0.02 0.17 0.21 -0.09 0.00 0.00 0.00 178.15 178.42 3hhm h ARG 818 N 0.89 1.12 -0.13 2.37 2.43 -0.79 -0.17 114.38 120.09 3hhm h ARG 818 Ca 0.24 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3hhm h ARG 818 Cb -0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3hhm h ARG 818 CO -0.05 0.96 -0.13 0.82 -1.51 0.00 0.00 179.97 180.06 3hhm h ILE 819 N 1.07 1.35 -0.22 1.20 2.04 -0.87 -1.77 117.51 120.31 3hhm h ILE 819 Ca 0.23 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.85 3hhm h ILE 819 Cb 0.32 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 3hhm h ILE 819 CO -0.00 0.38 -0.40 0.24 0.00 0.00 0.00 178.15 178.36 3hhm h MET 820 N -0.06 -0.41 -0.96 2.37 2.86 -0.33 -0.83 114.93 117.58 3hhm h MET 820 Ca 0.02 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.88 3hhm h MET 820 Cb 0.66 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.33 3hhm h MET 820 CO 0.03 -0.27 0.61 1.49 1.06 0.00 0.00 176.91 179.83 3hhm h GLU 821 N -0.42 0.60 0.07 1.72 4.81 -1.00 -2.16 114.58 118.21 3hhm h GLU 821 Ca 0.10 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hhm h GLU 821 Cb 0.60 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3hhm h GLU 821 CO -0.45 0.40 -0.03 -0.97 -0.73 0.00 0.00 179.01 177.23 3hhm h ASN 822 N 0.62 -0.08 -0.47 1.04 -1.24 -0.26 -0.79 115.58 114.40 3hhm h ASN 822 Ca 0.53 -0.11 0.06 0.00 0.71 0.00 0.00 56.30 57.49 3hhm h ASN 822 Cb 1.00 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 40.02 3hhm h ASN 822 CO -0.28 0.06 0.17 0.40 -1.29 0.00 0.00 177.43 176.48 3hhm h ILE 823 N -0.21 0.84 0.03 2.57 2.04 -0.71 -0.36 117.51 121.71 3hhm h ILE 823 Ca -0.01 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3hhm h ILE 823 Cb 0.18 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hhm h ILE 823 CO 0.02 0.06 -0.01 -0.50 0.00 0.00 0.00 178.15 177.71 3hhm h TRP 824 N 0.34 -0.04 0.00 1.37 6.55 -1.36 -2.69 115.95 120.12 3hhm h TRP 824 Ca 0.23 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.05 3hhm h TRP 824 Cb 0.23 0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 28.54 3hhm h TRP 824 CO -0.16 0.29 -0.05 0.37 -1.05 0.00 0.00 178.44 177.84 3hhm h GLN 825 N -0.37 0.00 -0.01 0.49 5.75 -0.94 0.64 115.11 120.68 3hhm h GLN 825 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hhm h GLN 825 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3hhm h GLN 825 CO 0.01 0.05 -0.27 0.09 -2.65 0.00 0.00 178.83 176.05 3hhm n ASN 826 N -4.43 0.81 -1.14 -0.69 4.13 -0.16 -3.25 115.26 110.52 3hhm n ASN 826 Ca -0.03 -0.69 0.11 0.00 1.68 0.00 0.00 54.58 55.65 3hhm n ASN 826 Cb 0.13 0.11 0.27 0.00 -1.54 0.00 0.00 39.78 38.75 3hhm n ASN 826 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hhm n GLN 827 N -0.88 2.45 -1.31 3.52 6.02 -0.42 -4.93 117.38 121.83 3hhm n GLN 827 Ca 0.11 -2.23 -0.10 0.00 -0.01 0.00 0.00 57.00 54.77 3hhm n GLN 827 Cb 0.33 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 3hhm n GLN 827 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hhm n GLY 828 N 1.50 1.16 3.31 1.08 0.00 -1.13 -4.99 105.19 106.11 3hhm n GLY 828 Ca 0.21 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 3hhm n GLY 828 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hhm s LEU 829 N -2.38 5.83 -1.25 0.99 2.96 0.09 -4.88 118.68 120.04 3hhm s LEU 829 Ca 0.00 -1.65 -0.16 0.00 -0.22 0.00 0.00 54.13 52.10 3hhm s LEU 829 Cb 0.00 -2.14 0.12 0.00 0.50 0.00 0.00 46.19 44.67 3hhm s LEU 829 CO 0.00 -0.73 1.58 -0.62 -1.32 0.00 0.00 176.35 175.25 3hhm s ASP 830 N 2.99 6.97 -0.16 3.68 2.15 -1.26 -2.96 116.67 128.07 3hhm s ASP 830 Ca 0.04 -2.75 -0.01 0.00 0.43 0.00 0.00 52.55 50.26 3hhm s ASP 830 Cb -0.27 -2.48 -0.01 0.00 -0.30 0.00 0.00 42.92 39.86 3hhm s ASP 830 CO 0.03 -0.94 -0.11 -0.76 -0.17 0.00 0.00 175.17 173.22 3hhm s LEU 831 N 2.80 2.70 -0.23 -1.34 1.43 -1.26 -4.90 118.68 117.88 3hhm s LEU 831 Ca 0.48 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 3hhm s LEU 831 Cb 0.00 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3hhm s LEU 831 CO 0.04 0.09 0.28 -0.13 0.23 0.00 0.00 176.35 176.86 3hhm s ARG 832 N 0.81 4.11 0.40 1.70 0.52 -1.26 -4.83 118.95 120.39 3hhm s ARG 832 Ca -0.04 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.21 3hhm s ARG 832 Cb -0.15 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 3hhm s ARG 832 CO 0.01 -0.02 0.31 -1.64 0.02 0.00 0.00 175.30 173.98 3hhm s MET 833 N 1.28 2.50 -0.53 3.54 -1.94 -1.26 -4.24 119.30 118.64 3hhm s MET 833 Ca 0.13 -1.55 0.04 0.00 -1.71 0.00 0.00 55.69 52.60 3hhm s MET 833 Cb -0.14 -2.31 0.16 0.00 2.01 0.00 0.00 34.83 34.55 3hhm s MET 833 CO 0.07 -0.11 0.38 -1.17 -0.01 0.00 0.00 175.02 174.17 3hhm s LEU 834 N -4.05 3.05 -1.16 -0.03 0.20 -1.26 -5.03 118.68 110.41 3hhm s LEU 834 Ca 0.45 -3.27 -0.14 0.00 0.69 0.00 0.00 54.13 51.86 3hhm s LEU 834 Cb -0.02 -1.05 0.17 0.00 -0.43 0.00 0.00 46.19 44.86 3hhm s LEU 834 CO 0.26 -0.16 1.36 -2.16 -0.29 0.00 0.00 176.35 175.36 3hhm s PRO 835 N -0.46 4.02 0.88 0.98 0.04 -1.26 -4.99 135.00 134.21 3hhm s PRO 835 Ca 0.26 -2.50 -0.11 0.00 0.04 0.00 0.00 61.00 58.69 3hhm s PRO 835 Cb -0.06 -5.00 0.12 0.00 0.04 0.00 0.00 34.50 29.60 3hhm s PRO 835 CO -0.14 -1.73 1.10 1.52 0.04 0.00 0.00 177.00 177.80 3hhm s TYR 836 N 1.54 2.10 0.34 0.56 -0.85 -1.26 -4.97 117.35 114.80 3hhm s TYR 836 Ca 0.40 1.53 -0.29 0.00 -0.52 0.00 0.00 57.07 58.19 3hhm s TYR 836 Cb -0.04 -3.17 -0.11 0.00 0.38 0.00 0.00 41.96 39.03 3hhm s TYR 836 CO -0.02 -2.45 1.42 0.20 -1.52 0.00 0.00 175.55 173.18 3hhm s GLY 837 N -3.09 2.81 -0.22 5.49 0.00 -1.26 -4.90 107.32 106.15 3hhm s GLY 837 Ca 0.64 1.43 -0.10 0.00 0.00 0.00 0.00 44.72 46.69 3hhm s GLY 837 CO 0.58 2.16 0.51 0.00 0.00 0.00 0.00 173.10 176.35 3hhm s LEU 839 N 2.04 0.34 0.05 0.00 0.20 -0.66 -4.84 118.68 115.81 3hhm s LEU 839 Ca -0.07 0.01 -0.30 0.00 0.69 0.00 0.00 54.13 54.46 3hhm s LEU 839 Cb -0.09 -0.28 -0.05 0.00 -0.43 0.00 0.00 46.19 45.35 3hhm s LEU 839 CO -0.15 -0.22 1.05 -0.55 -0.29 0.00 0.00 176.35 176.18 3hhm s SER 840 N 2.08 7.29 0.00 3.68 0.15 -1.26 -1.10 113.70 124.55 3hhm s SER 840 Ca 0.05 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.53 3hhm s SER 840 Cb -0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3hhm s SER 840 CO -0.04 -0.29 0.38 2.30 1.20 0.00 0.00 173.24 176.79 3hhm n ILE 841 N 3.59 0.00 -3.26 6.45 -5.35 0.52 -4.74 119.36 116.56 3hhm n ILE 841 Ca 0.06 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3hhm n ILE 841 Cb 0.49 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 3hhm n ILE 841 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hhm n GLY 842 N 0.18 0.80 3.55 3.28 0.00 -1.14 -4.20 105.19 107.67 3hhm n GLY 842 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3hhm n GLY 842 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hhm s ASP 843 N 0.90 5.24 -1.33 1.61 2.15 -1.26 -3.06 116.67 120.92 3hhm s ASP 843 Ca 0.00 0.04 -0.05 0.00 0.43 0.00 0.00 52.55 52.97 3hhm s ASP 843 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3hhm s ASP 843 CO 0.00 -2.48 1.00 0.00 -0.17 0.00 0.00 175.17 173.53 3hhm s VAL 845 N -3.40 0.43 0.14 0.00 1.01 -1.17 -1.07 120.40 116.34 3hhm s VAL 845 Ca 0.31 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3hhm s VAL 845 Cb -0.14 -0.40 0.07 0.00 0.00 0.00 0.00 36.38 35.90 3hhm s VAL 845 CO 0.76 0.15 0.93 -0.83 0.00 0.00 0.00 175.10 176.12 3hhm s GLY 846 N 0.26 -0.26 0.01 4.51 0.00 0.00 -0.36 107.32 111.49 3hhm s GLY 846 Ca -0.03 0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.98 3hhm s GLY 846 CO -0.00 0.04 -0.23 1.08 0.00 0.00 0.00 173.10 173.99 3hhm s LEU 847 N -2.89 2.30 -0.08 0.66 1.43 -0.26 -0.67 118.68 119.18 3hhm s LEU 847 Ca 0.11 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3hhm s LEU 847 Cb -0.02 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.82 3hhm s LEU 847 CO 0.01 0.29 -0.15 -0.63 0.23 0.00 0.00 176.35 176.10 3hhm s ILE 848 N -0.75 1.36 0.33 -0.59 1.01 -0.32 -1.65 121.20 120.59 3hhm s ILE 848 Ca 0.12 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3hhm s ILE 848 Cb -0.10 -1.22 -0.11 0.00 0.01 0.00 0.00 42.46 41.04 3hhm s ILE 848 CO 0.01 0.41 1.41 -0.70 0.00 0.00 0.00 174.94 176.07 3hhm s GLU 849 N 0.61 4.24 -0.17 2.79 2.12 -0.30 -0.27 118.70 127.73 3hhm s GLU 849 Ca -0.15 2.37 -0.16 0.00 0.36 0.00 0.00 54.97 57.39 3hhm s GLU 849 Cb -0.16 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3hhm s GLU 849 CO 0.05 -0.38 0.41 0.08 -0.54 0.00 0.00 175.26 174.88 3hhm s VAL 850 N -0.82 5.21 -0.47 3.70 1.01 -0.88 -4.79 120.40 123.36 3hhm s VAL 850 Ca 0.53 0.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.07 3hhm s VAL 850 Cb -0.43 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.24 3hhm s VAL 850 CO 0.54 0.30 0.69 -0.69 0.00 0.00 0.00 175.10 175.94 3hhm s VAL 851 N 0.96 4.76 0.74 2.92 1.01 -1.26 -4.83 120.40 124.71 3hhm s VAL 851 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 3hhm s VAL 851 Cb -0.15 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.99 3hhm s VAL 851 CO 0.08 -0.74 1.10 -0.60 0.00 0.00 0.00 175.10 174.94 3hhm s ARG 852 N 2.97 2.37 -1.46 2.72 3.52 -1.26 -3.83 118.95 123.97 3hhm s ARG 852 Ca 0.22 1.24 -0.11 0.00 -0.13 0.00 0.00 55.73 56.95 3hhm s ARG 852 Cb -0.15 -1.91 0.06 0.00 -1.56 0.00 0.00 34.95 31.39 3hhm s ARG 852 CO 0.17 -1.56 1.03 0.09 -0.81 0.00 0.00 175.30 174.23 3hhm n ASN 853 N -3.23 -5.05 -4.13 -2.12 3.02 -1.26 -4.95 115.26 97.54 3hhm n ASN 853 Ca 0.10 -0.71 -0.12 0.00 -0.03 0.00 0.00 54.58 53.82 3hhm n ASN 853 Cb 0.53 -4.26 -0.11 0.00 -0.61 0.00 0.00 39.78 35.33 3hhm n ASN 853 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hhm s SER 854 N -3.39 1.12 0.01 6.41 1.04 -1.25 -2.53 113.70 115.11 3hhm s SER 854 Ca 0.59 -0.81 -0.09 0.00 0.48 0.00 0.00 55.95 56.12 3hhm s SER 854 Cb -0.29 0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.89 3hhm s SER 854 CO 0.80 -0.33 0.19 -1.00 0.98 0.00 0.00 173.24 173.88 3hhm s HIS 855 N -2.58 -0.01 0.64 5.02 3.76 -0.66 -4.97 115.29 116.49 3hhm s HIS 855 Ca 0.03 -0.07 -0.14 0.00 -0.15 0.00 0.00 55.06 54.73 3hhm s HIS 855 Cb -0.02 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.64 3hhm s HIS 855 CO -0.02 -0.34 1.06 0.95 -0.85 0.00 0.00 174.74 175.54 3hhm s THR 856 N -1.60 3.84 0.27 1.30 -4.23 -1.26 -0.40 115.64 113.56 3hhm s THR 856 Ca -0.13 0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 61.15 3hhm s THR 856 Cb -0.06 -3.36 0.25 0.00 1.34 0.00 0.00 72.50 70.68 3hhm s THR 856 CO 0.01 -0.61 1.73 0.40 -0.54 0.00 0.00 174.62 175.61 3hhm h ILE 857 N -0.01 0.63 -0.22 2.99 1.08 -0.30 -1.46 117.51 120.21 3hhm h ILE 857 Ca -0.46 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3hhm h ILE 857 Cb 1.22 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 3hhm h ILE 857 CO 0.57 0.09 0.06 0.24 -0.69 0.00 0.00 178.15 178.43 3hhm h MET 858 N 0.51 0.16 -0.49 2.37 2.86 -1.27 -0.35 114.93 118.71 3hhm h MET 858 Ca 0.48 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.12 3hhm h MET 858 Cb 0.78 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3hhm h MET 858 CO -0.43 0.10 0.32 1.96 1.06 0.00 0.00 176.91 179.93 3hhm h GLN 859 N 0.16 0.64 0.12 1.72 4.20 -1.57 -0.59 115.11 119.80 3hhm h GLN 859 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hhm h GLN 859 Cb 0.08 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hhm h GLN 859 CO -0.11 0.42 -0.06 0.82 -0.67 0.00 0.00 178.83 179.23 3hhm h ILE 860 N 0.66 1.07 -0.86 2.54 2.04 -0.98 -2.90 117.51 119.08 3hhm h ILE 860 Ca 0.18 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.25 3hhm h ILE 860 Cb -0.07 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 3hhm h ILE 860 CO -0.04 0.22 0.56 1.56 0.00 0.00 0.00 178.15 180.44 3hhm h GLN 861 N -0.61 0.62 -0.04 2.37 4.20 -0.63 -2.55 115.11 118.46 3hhm h GLN 861 Ca -0.02 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 3hhm h GLN 861 Cb 0.48 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3hhm h GLN 861 CO 0.03 0.41 -0.80 0.00 -0.67 0.00 0.00 178.83 177.80 3hhm n LYS 863 N -3.78 0.61 -0.11 0.00 5.02 -0.96 -4.24 118.16 114.70 3hhm n LYS 863 Ca -0.05 0.27 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 3hhm n LYS 863 Cb 0.75 -2.43 0.15 0.00 -0.02 0.00 0.00 35.03 33.48 3hhm n LYS 863 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hhm n GLY 864 N 0.80 -0.31 3.11 0.72 0.00 -1.25 -4.78 105.19 103.47 3hhm n GLY 864 Ca 0.14 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 3hhm n GLY 864 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhm n GLY 865 N -1.11 -0.98 2.70 -0.02 0.00 -1.26 -1.39 105.19 103.12 3hhm n GLY 865 Ca 0.10 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 3hhm n GLY 865 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhm n LEU 866 N -3.11 -0.25 0.14 0.99 4.77 -1.26 -4.44 117.00 113.84 3hhm n LEU 866 Ca -0.07 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3hhm n LEU 866 Cb 0.61 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hhm n LEU 866 CO 0.54 0.08 0.00 1.17 -1.33 0.00 0.00 177.39 177.85 3hhm n LYS 867 N -1.77 0.00 -3.17 3.23 0.00 -1.21 -5.19 118.16 110.06 3hhm n LYS 867 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.28 3hhm n LYS 867 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.19 3hhm n LYS 867 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hhm n GLY 868 N 0.44 -0.70 4.60 3.14 0.00 -0.49 -5.05 105.19 107.14 3hhm n GLY 868 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3hhm n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhm n ALA 869 N -0.21 0.00 -2.34 4.61 0.00 -1.26 -3.25 120.51 118.06 3hhm n ALA 869 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3hhm n ALA 869 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3hhm n ALA 869 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hhm n LEU 870 N 0.00 4.35 -4.58 0.00 4.77 -1.26 -3.75 117.00 116.52 3hhm n LEU 870 Ca 0.00 -4.79 -0.39 0.00 -0.03 0.00 0.00 56.01 50.80 3hhm n LEU 870 Cb 0.00 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 3hhm n LEU 870 CO 0.00 2.06 -0.08 -1.10 -1.33 0.00 0.00 177.39 176.94 3hhm s GLN 871 N -3.55 3.89 0.00 3.23 -0.21 -1.20 -4.88 119.66 116.95 3hhm s GLN 871 Ca 0.46 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.58 3hhm s GLN 871 Cb 0.40 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 30.73 3hhm s GLN 871 CO -0.08 -0.26 0.00 1.97 -2.12 0.00 0.00 175.29 174.80 3hhm n PHE 872 N 5.17 0.00 0.00 0.91 -1.74 -1.26 -4.48 117.46 116.06 3hhm n PHE 872 Ca -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.77 3hhm n PHE 872 Cb 0.51 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.51 3hhm n PHE 872 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 3hhm n ASN 873 N 0.00 0.00 0.32 5.98 5.15 -1.26 -4.72 115.26 120.73 3hhm n ASN 873 Ca 0.00 0.00 0.17 0.00 -0.60 0.00 0.00 54.58 54.15 3hhm n ASN 873 Cb 0.00 0.05 0.93 0.00 -0.53 0.00 0.00 39.78 40.22 3hhm n ASN 873 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3hhm h SER 874 N 0.00 0.00 0.25 1.20 0.02 -1.92 -1.20 113.55 111.90 3hhm h SER 874 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hhm h SER 874 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hhm h SER 874 CO 0.00 0.00 -0.28 1.41 -1.14 0.00 0.00 176.83 176.82 3hhm n HIS 875 N -2.88 0.00 -0.19 3.45 8.25 -1.26 -4.28 115.22 118.31 3hhm n HIS 875 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 3hhm n HIS 875 Cb 0.25 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.25 3hhm n HIS 875 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3hhm h THR 876 N 1.12 1.23 -0.02 1.59 2.02 -1.50 0.11 112.91 117.47 3hhm h THR 876 Ca 0.00 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.48 3hhm h THR 876 Cb 0.51 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3hhm h THR 876 CO 0.00 0.27 -0.12 0.25 0.37 0.00 0.00 175.52 176.29 3hhm h LEU 877 N 0.74 -0.36 -1.03 2.58 6.46 -1.79 0.13 115.31 122.04 3hhm h LEU 877 Ca 0.18 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3hhm h LEU 877 Cb 0.23 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3hhm h LEU 877 CO -0.01 -0.17 0.32 -0.74 -0.62 0.00 0.00 178.44 177.21 3hhm h HIS 878 N -0.20 1.01 -0.49 1.25 2.76 -1.73 -2.35 115.15 115.40 3hhm h HIS 878 Ca 0.05 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3hhm h HIS 878 Cb 0.27 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3hhm h HIS 878 CO -0.19 0.75 0.10 0.37 -1.30 0.00 0.00 177.93 177.66 3hhm h GLN 879 N 1.00 0.80 -0.71 5.26 5.75 -0.24 -0.81 115.11 126.16 3hhm h GLN 879 Ca 0.24 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3hhm h GLN 879 Cb 0.13 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3hhm h GLN 879 CO -0.03 0.79 0.45 2.35 -2.65 0.00 0.00 178.83 179.74 3hhm h TRP 880 N 0.68 0.92 0.00 3.99 7.01 -0.50 -1.51 115.95 126.54 3hhm h TRP 880 Ca 0.15 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 3hhm h TRP 880 Cb 0.36 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 3hhm h TRP 880 CO 0.02 0.60 -0.37 -0.07 -2.79 0.00 0.00 178.44 175.83 3hhm h LEU 881 N 0.96 0.00 -0.06 0.65 3.38 -1.23 -3.23 115.31 115.79 3hhm h LEU 881 Ca 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 3hhm h LEU 881 Cb -0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hhm h LEU 881 CO -0.05 0.37 -0.40 0.50 0.09 0.00 0.00 178.44 178.95 3hhm h LYS 882 N 0.00 0.37 -7.27 1.13 3.64 -0.63 -2.96 116.57 110.84 3hhm h LYS 882 Ca -0.00 -0.32 -0.52 0.00 -1.27 0.00 0.00 60.65 58.53 3hhm h LYS 882 Cb 0.84 0.07 0.18 0.00 -0.41 0.00 0.00 32.23 32.91 3hhm h LYS 882 CO 0.05 0.97 0.26 0.34 -2.27 0.00 0.00 179.45 178.81 3hhm s ASP 883 N -6.50 3.45 0.00 4.20 2.15 -0.62 -2.89 116.67 116.46 3hhm s ASP 883 Ca -0.14 2.11 0.00 0.00 0.43 0.00 0.00 52.55 54.95 3hhm s ASP 883 Cb 0.04 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3hhm s ASP 883 CO 0.79 -2.75 0.00 0.29 -0.17 0.00 0.00 175.17 173.33 3hhm n LYS 884 N -3.91 0.00 -2.65 4.34 4.76 -1.26 -4.62 118.16 114.82 3hhm n LYS 884 Ca 0.11 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 3hhm n LYS 884 Cb 0.52 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.70 3hhm n LYS 884 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hhm n ASN 885 N 2.26 4.60 -4.66 4.39 4.13 -1.12 -4.99 115.26 119.88 3hhm n ASN 885 Ca 0.00 -3.70 -0.47 0.00 1.68 0.00 0.00 54.58 52.09 3hhm n ASN 885 Cb 0.00 -0.50 -0.05 0.00 -1.54 0.00 0.00 39.78 37.70 3hhm n ASN 885 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hhm n LYS 886 N -0.39 1.97 0.00 3.52 5.02 -1.14 -3.00 118.16 124.13 3hhm n LYS 886 Ca 0.36 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 3hhm n LYS 886 Cb 0.56 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3hhm n LYS 886 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hhm n GLY 887 N 3.39 0.00 0.00 0.72 0.00 -1.26 -3.93 105.19 104.10 3hhm n GLY 887 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hhm n GLY 887 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hhm n GLU 888 N 0.00 0.00 0.10 1.61 0.28 -1.26 -4.63 120.64 116.74 3hhm n GLU 888 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 3hhm n GLU 888 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 3hhm n GLU 888 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3hhm h ILE 889 N 0.00 0.44 -0.83 3.84 2.04 -1.81 -3.40 117.51 117.79 3hhm h ILE 889 Ca 0.00 -1.74 0.16 0.00 1.00 0.00 0.00 64.86 64.28 3hhm h ILE 889 Cb 0.00 2.02 -0.15 0.00 -0.74 0.00 0.00 36.82 37.95 3hhm h ILE 889 CO 0.00 0.25 -0.27 0.22 0.00 0.00 0.00 178.15 178.35 3hhm h TYR 890 N 0.00 -0.66 -0.75 1.37 3.20 -1.73 -2.26 116.97 116.14 3hhm h TYR 890 Ca -0.07 0.08 0.10 0.00 3.14 0.00 0.00 58.73 61.99 3hhm h TYR 890 Cb 1.34 0.42 -0.07 0.00 1.54 0.00 0.00 36.73 39.95 3hhm h TYR 890 CO 0.00 -0.38 0.39 -0.44 -1.64 0.00 0.00 178.16 176.09 3hhm h ASP 891 N -0.03 0.51 0.22 -2.11 3.32 -1.90 -0.57 116.42 115.86 3hhm h ASP 891 Ca 0.36 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.49 3hhm h ASP 891 Cb 0.60 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3hhm h ASP 891 CO -0.86 0.28 -0.38 0.00 -1.72 0.00 0.00 179.24 176.56 3hhm h ALA 892 N 1.45 -0.73 -0.78 3.45 0.00 -1.71 -1.85 119.26 119.09 3hhm h ALA 892 Ca 0.37 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.38 3hhm h ALA 892 Cb 0.40 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 3hhm h ALA 892 CO -0.28 -0.97 0.16 0.00 0.00 0.00 0.00 179.25 178.16 3hhm h ALA 893 N -0.19 1.01 -0.23 0.00 0.00 -0.96 0.37 119.26 119.25 3hhm h ALA 893 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3hhm h ALA 893 Cb 0.67 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hhm h ALA 893 CO -0.16 -0.39 -0.24 0.82 0.00 0.00 0.00 179.25 179.28 3hhm h ILE 894 N 0.22 1.26 -0.06 0.00 1.08 -1.19 -0.07 117.51 118.73 3hhm h ILE 894 Ca 0.45 -1.21 -0.25 0.00 -0.39 0.00 0.00 64.86 63.47 3hhm h ILE 894 Cb 0.83 1.34 0.02 0.00 -3.07 0.00 0.00 36.82 35.93 3hhm h ILE 894 CO -0.59 0.38 -0.93 -0.78 -0.69 0.00 0.00 178.15 175.55 3hhm h ASP 895 N 0.39 0.89 -0.34 1.72 3.58 0.40 -0.49 116.42 122.58 3hhm h ASP 895 Ca 0.06 -0.66 -0.08 0.00 0.42 0.00 0.00 57.03 56.77 3hhm h ASP 895 Cb 0.63 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 3hhm h ASP 895 CO 0.04 1.46 -0.11 0.25 -2.88 0.00 0.00 179.24 178.01 3hhm h LEU 896 N 0.44 0.68 0.09 2.28 5.85 -0.23 0.82 115.31 125.24 3hhm h LEU 896 Ca -0.09 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hhm h LEU 896 Cb 1.57 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3hhm h LEU 896 CO 0.18 0.90 -0.07 0.15 -0.34 0.00 0.00 178.44 179.27 3hhm h PHE 897 N 0.45 -0.18 -0.61 1.25 3.57 -0.82 -0.42 116.94 120.18 3hhm h PHE 897 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hhm h PHE 897 Cb 0.62 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 3hhm h PHE 897 CO 0.05 -0.11 0.34 1.15 -2.23 0.00 0.00 178.31 177.51 3hhm h THR 898 N -0.17 0.99 0.33 4.41 2.02 -0.92 0.14 112.91 119.71 3hhm h THR 898 Ca -0.00 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3hhm h THR 898 Cb 0.15 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3hhm h THR 898 CO -0.01 0.12 -0.16 0.03 0.37 0.00 0.00 175.52 175.87 3hhm h ARG 899 N 0.65 -0.43 -0.53 6.66 -0.00 -0.66 -1.99 114.38 118.08 3hhm h ARG 899 Ca 0.27 0.03 -0.11 0.00 -0.50 0.00 0.00 59.98 59.66 3hhm h ARG 899 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 3hhm h ARG 899 CO -0.16 -0.22 -0.11 0.66 0.00 0.00 0.00 179.97 180.14 3hhm h SER 900 N -0.55 1.01 -0.56 7.04 4.64 -0.84 -2.53 113.55 121.75 3hhm h SER 900 Ca -0.05 -0.36 0.06 0.00 -0.47 0.00 0.00 61.79 60.98 3hhm h SER 900 Cb 0.41 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 3hhm h SER 900 CO 0.07 1.13 0.28 0.00 -0.87 0.00 0.00 176.83 177.45 3hhm h ALA 902 N 1.32 0.32 -0.10 0.00 0.00 -1.08 -0.54 119.26 119.16 3hhm h ALA 902 Ca 0.26 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3hhm h ALA 902 Cb 0.19 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3hhm h ALA 902 CO -0.19 -0.33 -0.18 0.78 0.00 0.00 0.00 179.25 179.33 3hhm h GLY 903 N 0.20 -0.15 2.00 0.00 0.00 -0.97 -2.09 103.07 102.06 3hhm h GLY 903 Ca 0.13 0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.57 3hhm h GLY 903 CO -0.15 -0.17 -0.52 -0.97 0.00 0.00 0.00 176.54 174.73 3hhm h TYR 904 N -0.24 0.00 -0.70 5.60 -1.99 -1.14 -1.23 116.97 117.27 3hhm h TYR 904 Ca 0.09 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 3hhm h TYR 904 Cb 0.36 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.06 3hhm h TYR 904 CO -0.28 0.52 0.37 0.00 -0.00 0.00 0.00 178.16 178.77 3hhm h VAL 906 N 0.99 1.15 -0.28 0.00 2.07 -1.07 -3.19 116.25 115.92 3hhm h VAL 906 Ca 0.25 -2.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 3hhm h VAL 906 Cb 0.06 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3hhm h VAL 906 CO -0.04 0.76 0.08 0.00 0.02 0.00 0.00 177.57 178.40 3hhm h ALA 907 N 0.05 0.37 -0.41 1.67 0.00 -1.23 -1.01 119.26 118.69 3hhm h ALA 907 Ca -0.27 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.57 3hhm h ALA 907 Cb 1.88 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 3hhm h ALA 907 CO 0.14 0.01 -0.10 1.15 0.00 0.00 0.00 179.25 180.44 3hhm h THR 908 N 0.29 0.59 0.14 0.00 2.02 -1.41 -0.16 112.91 114.37 3hhm h THR 908 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3hhm h THR 908 Cb 0.25 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3hhm h THR 908 CO -0.00 0.00 -0.07 0.15 0.37 0.00 0.00 175.52 175.97 3hhm h PHE 909 N -0.00 -0.17 -0.79 3.16 3.57 -1.50 0.15 116.94 121.35 3hhm h PHE 909 Ca 0.20 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.77 3hhm h PHE 909 Cb 0.30 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 3hhm h PHE 909 CO -0.36 0.07 0.46 0.82 -2.23 0.00 0.00 178.31 177.06 3hhm h ILE 910 N -0.40 0.94 0.00 1.41 2.04 -0.98 -2.22 117.51 118.30 3hhm h ILE 910 Ca -0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3hhm h ILE 910 Cb 0.32 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3hhm h ILE 910 CO 0.03 0.14 -0.38 0.18 0.00 0.00 0.00 178.15 178.12 3hhm n LEU 911 N -4.74 0.47 -1.08 1.44 4.77 -0.09 -4.57 117.00 113.21 3hhm n LEU 911 Ca 0.12 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 3hhm n LEU 911 Cb 0.24 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3hhm n LEU 911 CO 0.28 0.02 -0.12 0.61 -1.33 0.00 0.00 177.39 176.85 3hhm n GLY 912 N 1.44 0.17 3.57 -0.72 0.00 -0.05 -3.50 105.19 106.09 3hhm n GLY 912 Ca 0.05 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 3hhm n GLY 912 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhm s ILE 913 N -2.48 3.55 0.11 -0.61 1.01 -0.65 -2.89 121.20 119.25 3hhm s ILE 913 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.08 3hhm s ILE 913 Cb 0.00 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.34 3hhm s ILE 913 CO 0.00 -1.00 0.10 0.61 0.00 0.00 0.00 174.94 174.65 3hhm n GLY 914 N 5.48 2.79 3.77 6.18 0.00 -1.26 -4.74 105.19 117.41 3hhm n GLY 914 Ca 0.17 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 3hhm n GLY 914 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hhm n ASP 915 N -2.14 -0.89 -4.90 1.61 9.92 -1.26 -4.99 116.55 113.90 3hhm n ASP 915 Ca 0.00 -0.87 -0.28 0.00 -0.53 0.00 0.00 54.79 53.11 3hhm n ASP 915 Cb 0.13 -3.77 0.04 0.00 -0.64 0.00 0.00 41.12 36.88 3hhm n ASP 915 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3hhm s ARG 916 N -6.14 2.86 -0.09 -1.24 1.81 -1.26 -5.04 118.95 109.85 3hhm s ARG 916 Ca 0.00 0.23 -0.31 0.00 -1.72 0.00 0.00 55.73 53.93 3hhm s ARG 916 Cb -0.00 -2.14 0.11 0.00 -0.45 0.00 0.00 34.95 32.48 3hhm s ARG 916 CO 0.83 -0.89 1.39 -3.38 -0.68 0.00 0.00 175.30 172.57 3hhm s HIS 917 N -3.19 0.00 -1.25 -0.53 -3.43 -1.26 -5.01 115.29 100.62 3hhm s HIS 917 Ca 0.56 -0.01 0.13 0.00 -0.80 0.00 0.00 55.06 54.94 3hhm s HIS 917 Cb -0.11 0.50 0.61 0.00 -1.43 0.00 0.00 32.58 32.16 3hhm s HIS 917 CO 0.49 -0.02 1.36 0.09 -2.00 0.00 0.00 174.74 174.66 3hhm n ASN 918 N -0.86 0.00 -0.36 7.38 5.03 -1.26 -0.63 115.26 124.56 3hhm n ASN 918 Ca 0.02 0.27 0.11 0.00 0.87 0.00 0.00 54.58 55.84 3hhm n ASN 918 Cb 0.60 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 3hhm n ASN 918 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3hhm n SER 919 N -1.37 1.74 0.03 6.41 7.64 -1.26 -0.86 113.62 125.95 3hhm n SER 919 Ca 0.05 -1.36 0.09 0.00 1.01 0.00 0.00 58.87 58.66 3hhm n SER 919 Cb 0.12 0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 63.84 3hhm n SER 919 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hhm n ASN 920 N -0.43 0.40 -4.26 6.43 5.03 0.20 -4.91 115.26 117.73 3hhm n ASN 920 Ca 0.08 0.16 -0.32 0.00 0.87 0.00 0.00 54.58 55.37 3hhm n ASN 920 Cb 0.43 1.18 -0.16 0.00 -1.02 0.00 0.00 39.78 40.21 3hhm n ASN 920 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hhm s ILE 921 N -3.35 2.35 0.29 2.41 1.01 -1.09 -1.01 121.20 121.81 3hhm s ILE 921 Ca -0.05 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 59.79 3hhm s ILE 921 Cb 0.11 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3hhm s ILE 921 CO 0.85 0.55 -0.05 -0.04 0.00 0.00 0.00 174.94 176.25 3hhm s MET 922 N 0.36 2.05 0.03 2.79 -1.94 0.33 -0.80 119.30 122.11 3hhm s MET 922 Ca -0.16 -1.63 0.03 0.00 -1.71 0.00 0.00 55.69 52.22 3hhm s MET 922 Cb -0.17 -1.97 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 3hhm s MET 922 CO 0.08 0.28 -0.09 0.08 -0.01 0.00 0.00 175.02 175.36 3hhm s VAL 923 N -2.44 0.67 0.26 -6.03 1.01 0.47 -1.93 120.40 112.41 3hhm s VAL 923 Ca 0.32 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3hhm s VAL 923 Cb -0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3hhm s VAL 923 CO 0.18 -0.11 0.38 -0.54 0.00 0.00 0.00 175.10 175.01 3hhm s LYS 924 N -1.00 3.42 0.58 2.72 1.02 0.45 -1.66 119.74 125.26 3hhm s LYS 924 Ca -0.03 -0.75 0.31 0.00 0.02 0.00 0.00 55.97 55.52 3hhm s LYS 924 Cb -0.07 -2.87 1.42 0.00 -0.52 0.00 0.00 37.83 35.79 3hhm s LYS 924 CO 0.00 0.38 1.79 -0.44 -0.92 0.00 0.00 175.35 176.16 3hhm h ASP 925 N 1.11 0.00 0.15 2.83 3.45 -1.83 0.57 116.42 122.69 3hhm h ASP 925 Ca -0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.95 3hhm h ASP 925 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3hhm h ASP 925 CO 0.60 0.00 -0.15 -0.90 -1.57 0.00 0.00 179.24 177.22 3hhm n ASP 926 N -3.79 1.17 0.00 6.45 3.85 -1.26 -4.65 116.55 118.32 3hhm n ASP 926 Ca 0.15 -1.10 0.00 0.00 -0.71 0.00 0.00 54.79 53.13 3hhm n ASP 926 Cb 0.95 0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.79 3hhm n ASP 926 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hhm n GLY 927 N 1.27 0.61 3.74 6.12 0.00 0.19 -4.38 105.19 112.74 3hhm n GLY 927 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3hhm n GLY 927 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hhm s GLN 928 N -0.62 4.52 0.13 1.61 0.74 -1.25 -2.74 119.66 122.04 3hhm s GLN 928 Ca 0.00 1.82 0.07 0.00 0.05 0.00 0.00 55.36 57.29 3hhm s GLN 928 Cb 0.00 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 3hhm s GLN 928 CO 0.00 -0.04 -0.03 -1.17 -0.55 0.00 0.00 175.29 173.50 3hhm s LEU 929 N -0.23 3.26 0.00 3.68 0.20 -1.26 -0.42 118.68 123.91 3hhm s LEU 929 Ca 0.52 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.99 3hhm s LEU 929 Cb -0.31 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.47 3hhm s LEU 929 CO 0.36 0.14 0.00 2.22 -0.29 0.00 0.00 176.35 178.78 3hhm n PHE 930 N 0.30 0.00 -0.87 5.38 1.16 -0.81 -4.70 117.46 117.93 3hhm n PHE 930 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.47 3hhm n PHE 930 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 3hhm n PHE 930 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 3hhm n HIS 931 N -0.34 0.00 -4.58 2.97 8.25 -1.16 0.12 115.22 120.48 3hhm n HIS 931 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3hhm n HIS 931 Cb 0.00 -0.87 -0.09 0.00 1.12 0.00 0.00 29.99 30.15 3hhm n HIS 931 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3hhm s ILE 932 N -0.45 0.93 -0.68 1.59 -0.00 -0.18 -4.96 121.20 117.45 3hhm s ILE 932 Ca 0.00 -2.00 -0.10 0.00 -0.00 0.00 0.00 60.65 58.55 3hhm s ILE 932 Cb 0.00 -2.40 0.01 0.00 -0.00 0.00 0.00 42.46 40.07 3hhm s ILE 932 CO 0.00 0.00 0.64 -0.67 -0.00 0.00 0.00 174.94 174.91 3hhm n ASP 933 N -1.19 -6.04 -0.05 4.36 2.03 -1.26 -4.87 116.55 109.53 3hhm n ASP 933 Ca -0.09 -0.41 -0.01 0.00 0.52 0.00 0.00 54.79 54.79 3hhm n ASP 933 Cb 0.66 -2.96 -0.01 0.00 -0.72 0.00 0.00 41.12 38.10 3hhm n ASP 933 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3hhm h PHE 934 N 0.66 0.00 0.00 -0.67 -1.00 -1.94 -3.47 116.94 110.52 3hhm h PHE 934 Ca -0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.38 3hhm h PHE 934 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3hhm h PHE 934 CO 0.16 0.02 0.00 0.41 -1.61 0.00 0.00 178.31 177.29 3hhm n GLY 935 N 1.74 1.01 3.80 -1.45 0.00 -1.26 -4.81 105.19 104.22 3hhm n GLY 935 Ca -0.02 0.52 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 3hhm n GLY 935 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhm s HIS 936 N 0.00 3.41 0.00 1.61 3.76 -1.26 -4.67 115.29 118.14 3hhm s HIS 936 Ca 0.00 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 3hhm s HIS 936 Cb 0.00 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.77 3hhm s HIS 936 CO 0.00 -0.11 0.00 1.19 -0.85 0.00 0.00 174.74 174.97 3hhm n PHE 937 N -0.20 0.00 -3.12 1.40 0.99 -1.26 -4.73 117.46 110.54 3hhm n PHE 937 Ca 0.05 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.05 3hhm n PHE 937 Cb 0.52 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.97 3hhm n PHE 937 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3hhm s LEU 938 N 0.00 5.65 0.00 4.37 1.43 -1.23 -3.17 118.68 125.73 3hhm s LEU 938 Ca 0.00 -1.87 0.00 0.00 -1.03 0.00 0.00 54.13 51.23 3hhm s LEU 938 Cb 0.00 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3hhm s LEU 938 CO 0.00 -0.97 0.00 -0.67 0.23 0.00 0.00 176.35 174.94 3hhm n ASP 939 N 5.82 0.00 0.00 2.29 -0.08 -1.14 -5.02 116.55 118.42 3hhm n ASP 939 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 3hhm n ASP 939 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 3hhm n ASP 939 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3hhm n HIS 940 N 0.32 0.00 0.00 -0.67 -0.00 -1.26 -4.82 115.22 108.79 3hhm n HIS 940 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3hhm n HIS 940 Cb 0.00 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.39 3hhm n HIS 940 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3hhm n PRO 953 N 0.63 0.00 0.00 1.57 -0.02 -1.26 -4.98 135.00 130.94 3hhm n PRO 953 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hhm n PRO 953 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hhm n PRO 953 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hhm n PHE 954 N -1.38 0.00 0.00 6.00 7.35 -1.26 -4.88 117.46 123.29 3hhm n PHE 954 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3hhm n PHE 954 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3hhm n PHE 954 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 3hhm n VAL 955 N 0.00 0.00 -3.04 -2.13 0.24 -1.26 -4.81 118.33 107.34 3hhm n VAL 955 Ca 0.00 0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3hhm n VAL 955 Cb 0.00 -0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.35 3hhm n VAL 955 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hhm n LEU 956 N 0.00 -5.75 -4.84 1.34 4.77 -1.26 -4.75 117.00 106.50 3hhm n LEU 956 Ca 0.00 0.62 -0.31 0.00 -0.03 0.00 0.00 56.01 56.29 3hhm n LEU 956 Cb 0.00 -2.56 0.02 0.00 -2.33 0.00 0.00 43.42 38.54 3hhm n LEU 956 CO 0.00 -1.89 0.71 0.42 -1.33 0.00 0.00 177.39 175.30 3hhm s THR 957 N -1.69 4.39 0.37 -5.08 -4.23 -1.26 -4.41 115.64 103.73 3hhm s THR 957 Ca 0.14 0.86 0.08 0.00 -1.18 0.00 0.00 61.69 61.59 3hhm s THR 957 Cb -0.03 -3.66 0.16 0.00 1.34 0.00 0.00 72.50 70.32 3hhm s THR 957 CO 0.61 -0.93 1.90 -0.61 -0.54 0.00 0.00 174.62 175.05 3hhm h GLN 958 N -0.18 0.34 -0.50 3.99 4.15 -0.35 -2.15 115.11 120.41 3hhm h GLN 958 Ca -0.45 -0.08 0.10 0.00 0.77 0.00 0.00 58.65 59.00 3hhm h GLN 958 Cb 1.20 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.76 3hhm h GLN 958 CO 0.60 0.44 -0.02 -0.44 -1.93 0.00 0.00 178.83 177.47 3hhm h ASP 959 N 0.32 -0.26 -0.42 -0.69 5.19 -1.77 0.11 116.42 118.90 3hhm h ASP 959 Ca 0.07 0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 56.50 3hhm h ASP 959 Cb 0.36 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 3hhm h ASP 959 CO 0.02 -0.09 -0.13 -0.26 -3.12 0.00 0.00 179.24 175.65 3hhm h PHE 960 N 0.09 0.94 -0.98 4.55 0.04 -1.77 -1.89 116.94 117.92 3hhm h PHE 960 Ca 0.25 -0.21 0.11 0.00 2.80 0.00 0.00 57.97 60.92 3hhm h PHE 960 Cb 0.39 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.23 3hhm h PHE 960 CO -0.34 0.96 0.63 -0.07 -0.60 0.00 0.00 178.31 178.89 3hhm h LEU 961 N 0.65 0.92 -0.53 1.54 3.38 -0.78 -1.45 115.31 119.04 3hhm h LEU 961 Ca 0.10 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3hhm h LEU 961 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hhm h LEU 961 CO 0.05 0.52 -0.67 0.40 0.09 0.00 0.00 178.44 178.83 3hhm h ILE 962 N 1.00 1.40 -0.03 1.22 2.04 -0.36 -3.26 117.51 119.51 3hhm h ILE 962 Ca 0.47 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3hhm h ILE 962 Cb 0.42 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3hhm h ILE 962 CO -0.23 0.62 -0.01 0.58 0.00 0.00 0.00 178.15 179.12 3hhm h VAL 963 N 0.21 1.29 -3.93 1.67 2.07 -0.64 -3.25 116.25 113.66 3hhm h VAL 963 Ca -0.02 -0.89 -0.53 0.00 0.82 0.00 0.00 66.70 66.08 3hhm h VAL 963 Cb 1.21 1.82 0.09 0.00 -1.52 0.00 0.00 31.29 32.89 3hhm h VAL 963 CO 0.11 0.24 0.69 -0.63 0.02 0.00 0.00 177.57 178.00 3hhm s ILE 964 N -4.74 2.39 0.00 4.57 1.01 -0.61 -4.48 121.20 119.34 3hhm s ILE 964 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3hhm s ILE 964 Cb 0.03 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.27 3hhm s ILE 964 CO 0.68 0.08 0.00 -1.20 0.00 0.00 0.00 174.94 174.50 3hhm n SER 965 N 0.43 -1.27 0.00 3.58 7.64 -1.26 -4.71 113.62 118.02 3hhm n SER 965 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3hhm n SER 965 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 3hhm n SER 965 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3hhm n LYS 966 N 0.00 0.31 -0.41 1.43 4.01 -1.23 -4.98 118.16 117.30 3hhm n LYS 966 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 3hhm n LYS 966 Cb 0.00 -0.13 0.27 0.00 -0.51 0.00 0.00 35.03 34.66 3hhm n LYS 966 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hhm n GLY 967 N -0.19 -2.58 0.00 0.72 0.00 -1.26 -4.94 105.19 96.94 3hhm n GLY 967 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3hhm n GLY 967 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhm n ALA 968 N -5.24 0.00 -0.47 4.61 0.00 -1.26 -4.71 120.51 113.45 3hhm n ALA 968 Ca 0.04 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.90 3hhm n ALA 968 Cb 0.56 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.68 3hhm n ALA 968 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hhm h GLN 969 N 0.00 0.00 -6.21 0.00 4.15 -2.03 -3.32 115.11 107.71 3hhm h GLN 969 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.85 3hhm h GLN 969 Cb 0.00 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.60 3hhm h GLN 969 CO 0.00 0.00 0.90 -1.21 -1.93 0.00 0.00 178.83 176.59 3hhm s GLU 970 N -4.70 3.27 0.00 1.69 0.41 -1.26 -4.57 118.70 113.53 3hhm s GLU 970 Ca -0.04 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 3hhm s GLU 970 Cb 0.21 -4.13 0.00 0.00 -1.78 0.00 0.00 34.13 28.43 3hhm s GLU 970 CO 0.72 -1.90 0.22 0.00 -0.49 0.00 0.00 175.26 173.80 3hhm n THR 972 N 0.00 0.20 -1.71 0.00 -1.04 -1.26 -4.42 114.28 106.05 3hhm n THR 972 Ca 0.00 -0.60 0.01 0.00 -2.04 0.00 0.00 64.05 61.42 3hhm n THR 972 Cb 0.49 1.22 0.01 0.00 -1.82 0.00 0.00 70.33 70.23 3hhm n THR 972 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3hhm n LYS 973 N 1.10 0.19 -1.68 -2.82 4.81 -1.26 -4.98 118.16 113.52 3hhm n LYS 973 Ca 0.13 -1.09 -0.30 0.00 -0.87 0.00 0.00 58.31 56.18 3hhm n LYS 973 Cb 0.49 -0.61 0.07 0.00 0.02 0.00 0.00 35.03 35.00 3hhm n LYS 973 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3hhm s THR 974 N -0.31 3.34 0.28 3.15 -4.23 -1.26 -4.97 115.64 111.64 3hhm s THR 974 Ca 0.03 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.05 3hhm s THR 974 Cb 0.03 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.60 3hhm s THR 974 CO 0.00 -0.57 1.66 0.03 -0.54 0.00 0.00 174.62 175.20 3hhm h ARG 975 N -0.88 0.19 -0.50 3.99 2.47 -1.98 -2.99 114.38 114.68 3hhm h ARG 975 Ca -0.46 -0.11 -0.09 0.00 -1.26 0.00 0.00 59.98 58.07 3hhm h ARG 975 Cb 1.26 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 3hhm h ARG 975 CO 0.61 0.64 -0.04 0.93 0.56 0.00 0.00 179.97 182.67 3hhm h GLU 976 N 0.15 0.87 -0.38 0.04 4.39 -1.97 -1.86 114.58 115.82 3hhm h GLU 976 Ca 0.01 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 3hhm h GLU 976 Cb 0.93 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 3hhm h GLU 976 CO 0.07 0.89 -0.20 0.35 -1.16 0.00 0.00 179.01 178.97 3hhm h PHE 977 N 0.79 0.82 -0.30 4.33 3.57 -1.83 -1.38 116.94 122.96 3hhm h PHE 977 Ca 0.14 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 3hhm h PHE 977 Cb 0.54 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3hhm h PHE 977 CO 0.03 0.87 -0.09 0.93 -2.23 0.00 0.00 178.31 177.82 3hhm h GLU 978 N 0.65 0.59 -0.94 1.11 5.08 -1.34 -0.01 114.58 119.71 3hhm h GLU 978 Ca 0.10 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3hhm h GLU 978 Cb 0.69 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 3hhm h GLU 978 CO 0.05 0.79 0.62 0.00 -1.00 0.00 0.00 179.01 179.47 3hhm h ARG 979 N 0.35 1.18 -0.42 2.33 3.08 -1.28 -0.62 114.38 118.99 3hhm h ARG 979 Ca 0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hhm h ARG 979 Cb 0.59 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3hhm h ARG 979 CO 0.03 0.78 0.26 0.35 -1.07 0.00 0.00 179.97 180.32 3hhm h PHE 980 N 1.21 0.55 -0.23 3.04 3.57 -0.98 -1.93 116.94 122.16 3hhm h PHE 980 Ca 0.37 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 3hhm h PHE 980 Cb -0.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3hhm h PHE 980 CO -0.01 0.38 -0.07 1.96 -2.23 0.00 0.00 178.31 178.33 3hhm h GLN 981 N 0.56 0.37 -0.40 1.11 4.20 -0.56 -2.41 115.11 117.97 3hhm h GLN 981 Ca 0.15 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3hhm h GLN 981 Cb -0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3hhm h GLN 981 CO -0.03 0.45 0.12 0.93 -0.67 0.00 0.00 178.83 179.64 3hhm h GLU 982 N 0.35 0.63 -0.91 1.46 4.39 -0.67 -0.45 114.58 119.37 3hhm h GLU 982 Ca 0.07 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3hhm h GLU 982 Cb 0.35 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3hhm h GLU 982 CO 0.02 0.63 0.60 0.52 -1.16 0.00 0.00 179.01 179.62 3hhm h MET 983 N 0.51 1.15 -0.23 2.33 0.00 -1.08 0.26 114.93 117.86 3hhm h MET 983 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 59.70 59.75 3hhm h MET 983 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 31.60 31.60 3hhm h MET 983 CO -0.00 0.76 0.11 0.00 0.00 0.00 0.00 176.91 177.78 3hhm h TYR 985 N 0.24 -0.17 -0.91 0.00 0.99 -0.74 -0.62 116.97 115.76 3hhm h TYR 985 Ca 0.08 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3hhm h TYR 985 Cb 0.13 0.06 -0.04 0.00 1.00 0.00 0.00 36.73 37.87 3hhm h TYR 985 CO -0.02 -0.08 0.58 0.87 -0.00 0.00 0.00 178.16 179.52 3hhm h LYS 986 N -0.22 1.21 -0.15 4.88 1.57 -0.89 -1.94 116.57 121.05 3hhm h LYS 986 Ca -0.02 -0.09 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 3hhm h LYS 986 Cb 0.17 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3hhm h LYS 986 CO 0.03 0.82 -0.75 0.00 -0.57 0.00 0.00 179.45 178.98 3hhm h ALA 987 N 1.40 0.40 -0.34 3.86 0.00 -0.68 -2.43 119.26 121.47 3hhm h ALA 987 Ca 0.33 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hhm h ALA 987 Cb -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hhm h ALA 987 CO -0.07 0.70 0.22 -0.92 0.00 0.00 0.00 179.25 179.18 3hhm h TYR 988 N 0.49 0.44 -0.17 0.00 3.20 -0.88 -2.67 116.97 117.37 3hhm h TYR 988 Ca -0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 3hhm h TYR 988 Cb 1.36 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 3hhm h TYR 988 CO 0.07 0.29 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.58 3hhm h LEU 989 N 0.46 0.31 -0.04 2.82 3.38 -1.34 -1.12 115.31 119.78 3hhm h LEU 989 Ca 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hhm h LEU 989 Cb -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hhm h LEU 989 CO -0.03 0.56 0.01 0.00 0.09 0.00 0.00 178.44 179.07 3hhm h ALA 990 N 1.47 0.05 -0.69 1.53 0.00 -1.26 0.37 119.26 120.72 3hhm h ALA 990 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hhm h ALA 990 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hhm h ALA 990 CO 0.04 -0.34 0.37 0.82 0.00 0.00 0.00 179.25 180.14 3hhm h ILE 991 N -0.15 1.21 -0.76 0.00 1.08 -1.36 -2.30 117.51 115.23 3hhm h ILE 991 Ca 0.01 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 64.03 3hhm h ILE 991 Cb 0.22 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 3hhm h ILE 991 CO -0.00 0.24 0.41 -0.09 -0.69 0.00 0.00 178.15 178.02 3hhm h ARG 992 N 0.94 0.68 0.00 2.37 2.43 -0.94 0.13 114.38 120.00 3hhm h ARG 992 Ca 0.24 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3hhm h ARG 992 Cb 0.04 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3hhm h ARG 992 CO -0.04 0.45 -0.09 1.96 -1.51 0.00 0.00 179.97 180.74 3hhm h GLN 993 N 0.70 0.00 -0.44 0.20 4.20 -0.38 -2.31 115.11 117.08 3hhm h GLN 993 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3hhm h GLN 993 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3hhm h GLN 993 CO -0.25 0.09 0.00 0.72 -0.67 0.00 0.00 178.83 178.72 3hhm n HIS 994 N -3.63 0.59 -1.69 2.96 8.25 -0.26 -4.93 115.22 116.51 3hhm n HIS 994 Ca -0.02 -0.50 -0.44 0.00 -0.26 0.00 0.00 57.72 56.50 3hhm n HIS 994 Cb 0.21 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 3hhm n HIS 994 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hhm n ALA 995 N 0.79 1.48 0.00 -1.41 0.00 0.30 -1.91 120.51 119.76 3hhm n ALA 995 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3hhm n ALA 995 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3hhm n ALA 995 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hhm n ASN 996 N 2.44 0.00 0.26 0.00 4.13 -1.26 -4.83 115.26 116.00 3hhm n ASN 996 Ca 0.12 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.21 3hhm n ASN 996 Cb 0.32 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.48 3hhm n ASN 996 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3hhm h LEU 997 N 0.00 -1.13 -0.49 3.41 6.46 -1.76 -0.74 115.31 121.06 3hhm h LEU 997 Ca 0.00 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3hhm h LEU 997 Cb 0.00 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 3hhm h LEU 997 CO 0.00 -0.57 0.16 -0.26 -0.62 0.00 0.00 178.44 177.15 3hhm h PHE 998 N -0.86 0.78 0.06 1.25 -1.00 -1.88 0.22 116.94 115.51 3hhm h PHE 998 Ca -0.04 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.69 3hhm h PHE 998 Cb 0.76 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 40.05 3hhm h PHE 998 CO -0.22 0.68 -0.26 0.82 -1.61 0.00 0.00 178.31 177.72 3hhm h ILE 999 N 0.65 0.42 -0.59 -0.55 1.08 -1.88 -0.92 117.51 115.73 3hhm h ILE 999 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 3hhm h ILE 999 Cb 0.26 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 3hhm h ILE 999 CO -0.01 0.00 0.37 0.78 -0.69 0.00 0.00 178.15 178.61 3hhm h ASN 1000N -0.44 0.69 -0.06 1.72 2.35 -0.76 0.12 115.58 119.21 3hhm h ASN 1000Ca 0.05 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3hhm h ASN 1000Cb 0.49 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3hhm h ASN 1000CO -0.19 0.52 0.00 -0.07 -1.65 0.00 0.00 177.43 176.04 3hhm h LEU 1001N 0.81 0.09 -1.09 1.61 3.38 -0.16 -1.24 115.31 118.71 3hhm h LEU 1001Ca 0.21 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hhm h LEU 1001Cb -0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3hhm h LEU 1001CO -0.04 0.37 0.47 -0.26 0.09 0.00 0.00 178.44 179.07 3hhm h PHE 1002N -0.18 1.07 -0.81 1.13 -1.00 -1.03 -3.14 116.94 112.98 3hhm h PHE 1002Ca 0.02 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3hhm h PHE 1002Cb 0.32 -0.35 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 3hhm h PHE 1002CO 0.03 0.72 0.53 0.77 -1.61 0.00 0.00 178.31 178.74 3hhm h SER 1003N 1.12 0.89 0.75 2.17 0.02 -0.36 -1.95 113.55 116.19 3hhm h SER 1003Ca 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3hhm h SER 1003Cb -0.03 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.30 3hhm h SER 1003CO -0.05 0.63 0.00 0.24 -1.14 0.00 0.00 176.83 176.51 3hhm h MET 1004N 1.05 0.00 -0.30 3.45 2.86 -1.19 -2.99 114.93 117.81 3hhm h MET 1004Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3hhm h MET 1004Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3hhm h MET 1004CO -0.09 0.00 0.00 -0.12 1.06 0.00 0.00 176.91 177.76 3hhm n MET 1005N -2.90 2.13 0.22 1.72 0.00 -0.73 -4.02 117.12 113.54 3hhm n MET 1005Ca 0.00 -1.72 0.15 0.00 0.00 0.00 0.00 57.70 56.13 3hhm n MET 1005Cb 0.24 -1.45 0.48 0.00 0.00 0.00 0.00 33.22 32.49 3hhm n MET 1005CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3hhm h LEU 1006N 3.34 0.00 -0.54 -0.89 5.85 -1.54 -3.26 115.31 118.26 3hhm h LEU 1006Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 3hhm h LEU 1006Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hhm h LEU 1006CO 0.00 0.00 -0.42 1.23 -0.34 0.00 0.00 178.44 178.91 3hhm h GLY 1007N 2.88 0.77 -0.26 3.75 0.00 -1.83 -3.44 103.07 104.93 3hhm h GLY 1007Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 3hhm h GLY 1007CO 0.00 0.71 0.05 -1.14 0.00 0.00 0.00 176.54 176.16 3hhm n SER 1008N -4.03 -1.14 -2.02 0.19 3.41 -1.23 -4.96 113.62 103.83 3hhm n SER 1008Ca -0.02 -0.75 -0.06 0.00 -0.26 0.00 0.00 58.87 57.77 3hhm n SER 1008Cb 0.54 -0.29 0.31 0.00 -0.26 0.00 0.00 64.21 64.50 3hhm n SER 1008CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hhm n GLY 1009N 0.64 3.68 3.67 5.00 0.00 -1.26 -4.94 105.19 111.97 3hhm n GLY 1009Ca 0.04 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 3hhm n GLY 1009CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hhm s MET 1010N -3.01 4.16 0.37 1.61 1.00 -1.26 -4.88 119.30 117.29 3hhm s MET 1010Ca 0.56 2.44 0.09 0.00 0.00 0.00 0.00 55.69 58.78 3hhm s MET 1010Cb 0.44 -3.96 0.83 0.00 0.00 0.00 0.00 34.83 32.15 3hhm s MET 1010CO 0.14 -0.88 1.91 -1.00 0.00 0.00 0.00 175.02 175.19 3hhm h PRO 1011N 9.70 0.64 0.00 2.03 0.13 -2.01 -1.58 132.00 140.92 3hhm h PRO 1011Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hhm h PRO 1011Cb 1.21 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hhm h PRO 1011CO 0.94 0.43 0.00 0.39 -0.23 0.00 0.00 178.00 179.53 3hhm n GLU 1012N -4.52 0.83 -3.16 0.86 4.71 -1.26 -4.13 120.64 113.97 3hhm n GLU 1012Ca 0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 57.09 3hhm n GLU 1012Cb 0.39 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 3hhm n GLU 1012CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hhm n LEU 1013N -1.09 1.35 -0.02 -4.62 4.77 -0.59 -4.83 117.00 111.97 3hhm n LEU 1013Ca 0.21 -5.06 -0.07 0.00 -0.03 0.00 0.00 56.01 51.05 3hhm n LEU 1013Cb 0.15 0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 3hhm n LEU 1013CO 0.20 2.25 -0.53 0.00 -1.33 0.00 0.00 177.39 177.97 3hhm n GLN 1014N 0.44 0.63 -3.92 3.23 6.02 -1.25 -4.53 117.38 118.00 3hhm n GLN 1014Ca 0.25 0.27 -0.09 0.00 -0.01 0.00 0.00 57.00 57.42 3hhm n GLN 1014Cb 0.59 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 3hhm n GLN 1014CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3hhm s SER 1015N -6.00 -0.13 0.51 1.08 1.04 -1.26 -5.01 113.70 103.92 3hhm s SER 1015Ca -0.05 -0.78 0.20 0.00 0.48 0.00 0.00 55.95 55.80 3hhm s SER 1015Cb 0.08 0.58 1.27 0.00 0.10 0.00 0.00 66.02 68.05 3hhm s SER 1015CO 0.82 -1.11 2.04 -0.26 0.98 0.00 0.00 173.24 175.72 3hhm h PHE 1016N 2.25 0.10 0.00 5.02 -1.00 -1.99 -1.19 116.94 120.13 3hhm h PHE 1016Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.52 3hhm h PHE 1016Cb 1.25 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.78 3hhm h PHE 1016CO 0.39 0.05 0.00 -0.44 -1.61 0.00 0.00 178.31 176.70 3hhm h ASP 1017N 0.10 0.00 0.16 2.17 5.19 -2.01 -1.09 116.42 120.94 3hhm h ASP 1017Ca 0.18 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.37 3hhm h ASP 1017Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3hhm h ASP 1017CO -0.02 0.00 -0.84 0.44 -3.12 0.00 0.00 179.24 175.70 3hhm h ASP 1018N 0.00 0.65 0.67 6.45 5.19 -1.54 -3.18 116.42 124.66 3hhm h ASP 1018Ca 0.00 -0.46 -0.04 0.00 -0.62 0.00 0.00 57.03 55.90 3hhm h ASP 1018Cb 0.14 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3hhm h ASP 1018CO 0.00 1.24 -0.21 0.40 -3.12 0.00 0.00 179.24 177.55 3hhm h ILE 1019N 0.34 0.63 -1.01 0.35 2.04 -1.32 -3.12 117.51 115.41 3hhm h ILE 1019Ca -0.06 -0.95 0.29 0.00 1.00 0.00 0.00 64.86 65.14 3hhm h ILE 1019Cb 1.45 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 3hhm h ILE 1019CO 0.15 0.21 0.82 0.00 0.00 0.00 0.00 178.15 179.33 3hhm h ALA 1020N 1.79 2.90 -0.11 1.87 0.00 -1.47 -2.24 119.26 121.99 3hhm h ALA 1020Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hhm h ALA 1020Cb 0.60 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3hhm h ALA 1020CO 0.03 -1.34 -0.13 -0.92 0.00 0.00 0.00 179.25 176.89 3hhm h TYR 1021N 0.00 -0.32 0.00 0.00 3.20 -1.75 -1.35 116.97 116.75 3hhm h TYR 1021Ca 0.48 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.30 3hhm h TYR 1021Cb 2.11 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.53 3hhm h TYR 1021CO 0.00 -0.19 -0.35 -0.84 -1.64 0.00 0.00 178.16 175.14 3hhm h ILE 1022N -0.16 0.92 -0.04 1.81 3.07 -1.65 -0.46 117.51 121.00 3hhm h ILE 1022Ca 0.08 -1.38 0.01 0.00 1.55 0.00 0.00 64.86 65.13 3hhm h ILE 1022Cb 0.28 1.82 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3hhm h ILE 1022CO -0.21 0.34 0.03 0.03 -1.05 0.00 0.00 178.15 177.30 3hhm h ARG 1023N 0.00 0.00 0.08 0.16 3.08 -1.27 -1.05 114.38 115.39 3hhm h ARG 1023Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3hhm h ARG 1023Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 3hhm h ARG 1023CO 0.05 0.00 -1.96 1.63 -1.07 0.00 0.00 179.97 178.62 3hhm n LYS 1024N -4.13 0.70 0.14 0.04 5.02 -0.71 -4.13 118.16 115.09 3hhm n LYS 1024Ca -0.02 0.30 -0.13 0.00 -2.02 0.00 0.00 58.31 56.44 3hhm n LYS 1024Cb 0.13 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.39 3hhm n LYS 1024CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3hhm h THR 1025N -0.18 0.67 -3.74 -0.18 2.02 -0.92 -3.31 112.91 107.27 3hhm h THR 1025Ca -0.45 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.23 3hhm h THR 1025Cb 1.87 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3hhm h THR 1025CO -0.01 0.00 0.45 -0.76 0.37 0.00 0.00 175.52 175.57 3hhm s LEU 1026N -10.20 4.55 0.07 2.58 1.43 -0.41 -4.96 118.68 111.73 3hhm s LEU 1026Ca -0.15 2.17 -0.33 0.00 -1.03 0.00 0.00 54.13 54.79 3hhm s LEU 1026Cb 0.06 -3.62 -0.19 0.00 0.03 0.00 0.00 46.19 42.47 3hhm s LEU 1026CO 0.65 -0.11 1.62 0.00 0.23 0.00 0.00 176.35 178.75 3hhm h ALA 1027N 4.20 -0.91 0.00 4.21 0.00 -1.77 -3.41 119.26 121.58 3hhm h ALA 1027Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hhm h ALA 1027Cb 1.21 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hhm h ALA 1027CO 0.68 -1.01 0.00 1.28 0.00 0.00 0.00 179.25 180.21 3hhm n LEU 1028N -5.48 0.00 -1.27 0.00 4.32 -1.26 -4.16 117.00 109.16 3hhm n LEU 1028Ca -0.14 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3hhm n LEU 1028Cb 0.37 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.34 3hhm n LEU 1028CO 0.38 0.00 0.63 0.47 -1.22 0.00 0.00 177.39 177.65 3hhm n ASP 1029N 1.70 3.30 -2.58 -1.43 8.00 -1.26 -4.88 116.55 119.40 3hhm n ASP 1029Ca 0.00 -2.52 -0.12 0.00 0.71 0.00 0.00 54.79 52.85 3hhm n ASP 1029Cb 0.00 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.45 3hhm n ASP 1029CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hhm n LYS 1030N 0.17 0.62 -2.47 -1.24 5.02 -1.26 -5.16 118.16 113.83 3hhm n LYS 1030Ca 0.17 -1.78 -0.27 0.00 -2.02 0.00 0.00 58.31 54.41 3hhm n LYS 1030Cb 0.79 1.09 0.02 0.00 -0.02 0.00 0.00 35.03 36.90 3hhm n LYS 1030CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hhm s THR 1031N -2.43 4.12 0.28 -0.18 2.01 -1.26 -4.90 115.64 113.27 3hhm s THR 1031Ca 0.13 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3hhm s THR 1031Cb 0.01 -3.60 0.27 0.00 0.01 0.00 0.00 72.50 69.18 3hhm s THR 1031CO 0.09 -0.61 1.80 -0.33 -0.69 0.00 0.00 174.62 174.87 3hhm h GLU 1032N -0.03 0.79 -0.52 4.92 5.08 -1.98 0.02 114.58 122.85 3hhm h GLU 1032Ca -0.46 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 3hhm h GLU 1032Cb 1.24 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3hhm h GLU 1032CO 0.61 0.52 -0.13 0.37 -1.00 0.00 0.00 179.01 179.38 3hhm h GLN 1033N 0.81 1.00 -0.11 2.33 5.75 -2.00 -0.72 115.11 122.18 3hhm h GLN 1033Ca 0.51 -0.39 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 3hhm h GLN 1033Cb 0.65 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3hhm h GLN 1033CO -0.33 1.07 -0.45 0.93 -2.65 0.00 0.00 178.83 177.40 3hhm h GLU 1034N 0.87 0.26 0.71 1.69 5.08 -1.86 -2.86 114.58 118.46 3hhm h GLU 1034Ca 0.13 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hhm h GLU 1034Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hhm h GLU 1034CO 0.05 0.66 -0.34 0.00 -1.00 0.00 0.00 179.01 178.38 3hhm h ALA 1035N 1.32 -0.95 -0.83 3.43 0.00 -0.65 0.19 119.26 121.76 3hhm h ALA 1035Ca 0.01 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.92 3hhm h ALA 1035Cb 0.88 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 3hhm h ALA 1035CO 0.07 -0.88 0.07 1.25 0.00 0.00 0.00 179.25 179.76 3hhm h LEU 1036N -1.26 -0.28 -0.52 0.00 5.85 -1.21 0.33 115.31 118.23 3hhm h LEU 1036Ca -0.10 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hhm h LEU 1036Cb 0.73 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3hhm h LEU 1036CO 0.16 -0.20 0.18 -0.33 -0.34 0.00 0.00 178.44 177.91 3hhm h GLU 1037N 0.12 0.80 -0.37 1.25 5.08 -1.47 0.19 114.58 120.17 3hhm h GLU 1037Ca 0.48 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3hhm h GLU 1037Cb 0.92 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3hhm h GLU 1037CO -0.71 0.72 0.21 -0.92 -1.00 0.00 0.00 179.01 177.31 3hhm h TYR 1038N 0.71 0.39 -0.38 4.33 3.20 0.16 -1.35 116.97 124.04 3hhm h TYR 1038Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 3hhm h TYR 1038Cb 0.24 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3hhm h TYR 1038CO 0.01 0.23 -0.08 0.35 -1.64 0.00 0.00 178.16 177.03 3hhm h PHE 1039N 0.43 0.81 -0.50 -3.82 3.57 -0.33 -1.52 116.94 115.58 3hhm h PHE 1039Ca 0.15 -0.17 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3hhm h PHE 1039Cb 0.02 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.48 3hhm h PHE 1039CO -0.08 0.86 -0.01 0.52 -2.23 0.00 0.00 178.31 177.37 3hhm h MET 1040N 0.52 0.11 0.20 1.11 2.86 -0.50 -1.65 114.93 117.57 3hhm h MET 1040Ca 0.10 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3hhm h MET 1040Cb 0.59 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3hhm h MET 1040CO 0.04 0.07 -0.15 -0.22 1.06 0.00 0.00 176.91 177.70 3hhm h LYS 1041N 0.11 -0.35 -1.00 1.72 3.64 -1.00 0.15 116.57 119.85 3hhm h LYS 1041Ca 0.25 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.92 3hhm h LYS 1041Cb 0.38 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 3hhm h LYS 1041CO -0.43 -0.23 0.68 1.96 -2.27 0.00 0.00 179.45 179.16 3hhm h GLN 1042N -0.36 0.23 0.12 1.90 1.08 -0.88 -2.55 115.11 114.66 3hhm h GLN 1042Ca -0.01 -0.01 -0.36 0.00 -1.45 0.00 0.00 58.65 56.81 3hhm h GLN 1042Cb 0.32 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3hhm h GLN 1042CO -0.01 0.16 -1.98 -0.12 -0.95 0.00 0.00 178.83 175.92 3hhm n MET 1043N -4.44 0.76 0.05 1.46 1.56 -0.66 -3.13 117.12 112.73 3hhm n MET 1043Ca 0.22 0.26 0.12 0.00 -0.27 0.00 0.00 57.70 58.03 3hhm n MET 1043Cb 0.92 -1.71 0.47 0.00 2.15 0.00 0.00 33.22 35.04 3hhm n MET 1043CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3hhm n ASN 1044N -3.47 0.33 0.00 6.12 0.23 0.46 -3.43 115.26 115.49 3hhm n ASN 1044Ca -0.31 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 3hhm n ASN 1044Cb 1.05 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3hhm n ASN 1044CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hhm n ASP 1045N -1.83 0.00 0.00 0.53 8.00 -0.99 -4.81 116.55 117.46 3hhm n ASP 1045Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3hhm n ASP 1045Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3hhm n ASP 1045CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hhm n ALA 1046N -3.00 0.00 -1.66 2.24 0.00 -1.18 -4.78 120.51 112.13 3hhm n ALA 1046Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hhm n ALA 1046Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hhm n ALA 1046CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hhm n ARG 1047N 0.00 -4.57 0.00 0.00 0.63 -1.26 -4.79 116.66 106.66 3hhm n ARG 1047Ca 0.00 3.47 0.00 0.00 -0.92 0.00 0.00 57.85 60.40 3hhm n ARG 1047Cb 0.00 -4.11 0.00 0.00 0.45 0.00 0.00 32.46 28.80 3hhm n ARG 1047CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3hhm n HIS 1048N -1.73 0.00 -4.14 -0.14 8.25 -1.26 -4.77 115.22 111.43 3hhm n HIS 1048Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hhm n HIS 1048Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3hhm n HIS 1048CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hhm n GLY 1049N 3.89 0.15 0.00 -1.41 0.00 -1.26 -4.38 105.19 102.18 3hhm n GLY 1049Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3hhm n GLY 1049CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhm n GLY 1050N 0.00 2.07 3.77 -0.02 0.00 -1.26 0.31 105.19 110.06 3hhm n GLY 1050Ca 0.00 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 3hhm n GLY 1050CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hhm s TRP 1051N -2.00 3.61 -0.47 1.61 0.52 -1.26 -4.99 118.94 115.95 3hhm s TRP 1051Ca 0.00 0.91 0.06 0.00 0.02 0.00 0.00 56.10 57.09 3hhm s TRP 1051Cb 0.00 -2.41 0.18 0.00 -1.15 0.00 0.00 33.47 30.09 3hhm s TRP 1051CO 0.00 0.39 0.60 -0.08 0.02 0.00 0.00 176.95 177.89 3hhm s THR 1052N -0.18 -0.64 0.00 2.01 -1.32 -1.26 -4.79 115.64 109.45 3hhm s THR 1052Ca 0.24 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3hhm s THR 1052Cb -0.16 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3hhm s THR 1052CO 0.11 -0.33 0.00 0.41 -2.21 0.00 0.00 174.62 172.60 3hhm n THR 1053N 3.14 0.00 0.00 5.08 -1.04 -1.26 -4.45 114.28 115.75 3hhm n THR 1053Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3hhm n THR 1053Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3hhm n THR 1053CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3hhm n LYS 1054N 0.00 0.00 -3.57 -2.82 2.85 -1.26 -4.55 118.16 108.81 3hhm n LYS 1054Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 3hhm n LYS 1054Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 3hhm n LYS 1054CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3hhm s MET 1055N -2.23 0.47 -1.14 -1.58 -2.45 -1.26 -5.07 119.30 106.04 3hhm s MET 1055Ca 0.00 -0.11 -0.28 0.00 -1.25 0.00 0.00 55.69 54.05 3hhm s MET 1055Cb 0.00 0.22 0.03 0.00 1.25 0.00 0.00 34.83 36.33 3hhm s MET 1055CO 0.00 -0.19 0.68 -3.47 1.05 0.00 0.00 175.02 173.08 3hhm n ASP 1056N 0.04 -4.38 -0.12 1.11 -0.08 -1.26 -4.75 116.55 107.11 3hhm n ASP 1056Ca -0.04 -1.22 0.14 0.00 -1.51 0.00 0.00 54.79 52.16 3hhm n ASP 1056Cb 0.59 -1.80 0.50 0.00 2.34 0.00 0.00 41.12 42.75 3hhm n ASP 1056CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 3hhm n TRP 1057N -4.54 0.00 -0.06 -0.67 4.27 -1.26 -2.70 117.44 112.48 3hhm n TRP 1057Ca -0.15 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.43 3hhm n TRP 1057Cb 0.59 -0.20 -0.01 0.00 -1.36 0.00 0.00 31.31 30.32 3hhm n TRP 1057CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3hhm h ILE 1058N 0.61 0.00 0.00 -1.67 2.04 -2.00 -3.43 117.51 113.06 3hhm h ILE 1058Ca 0.00 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3hhm h ILE 1058Cb 0.43 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3hhm h ILE 1058CO 0.00 0.00 -1.73 0.49 0.00 0.00 0.00 178.15 176.91 3hhm n PHE 1059N -4.37 0.31 -2.52 1.37 3.01 -1.26 -5.02 117.46 108.98 3hhm n PHE 1059Ca -0.05 0.09 -0.02 0.00 1.01 0.00 0.00 57.45 58.48 3hhm n PHE 1059Cb 0.20 -0.68 0.01 0.00 -0.01 0.00 0.00 39.48 38.99 3hhm n PHE 1059CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3hhm n HIS 1060N -2.43 -0.22 -2.47 1.38 8.25 -1.10 -5.06 115.22 113.58 3hhm n HIS 1060Ca -0.05 0.07 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 3hhm n HIS 1060Cb 0.61 -1.32 -0.04 0.00 1.12 0.00 0.00 29.99 30.37 3hhm n HIS 1060CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hhm s THR 1061N -2.91 4.33 0.00 1.59 2.01 -1.26 -5.09 115.64 114.31 3hhm s THR 1061Ca 0.04 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.27 3hhm s THR 1061Cb -0.02 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3hhm s THR 1061CO 0.05 -0.53 0.00 0.00 -0.69 0.00 0.00 174.62 173.45