#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5u s MET 2 N 0.00 4.55 0.24 -0.41 1.00 -1.26 -1.12 119.30 122.30 3h5u s MET 2 Ca 0.00 1.23 -0.06 0.00 0.00 0.00 0.00 55.69 56.85 3h5u s MET 2 Cb 0.00 -2.96 0.25 0.00 0.00 0.00 0.00 34.83 32.11 3h5u s MET 2 CO 0.00 0.39 1.91 0.66 0.00 0.00 0.00 175.02 177.98 3h5u h SER 3 N 3.55 1.15 -5.04 3.03 4.64 -1.10 -3.41 113.55 116.37 3h5u h SER 3 Ca -0.47 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 60.67 3h5u h SER 3 Cb 1.20 -0.29 -0.19 0.00 -0.31 0.00 0.00 62.40 62.81 3h5u h SER 3 CO 0.66 0.86 -0.48 -0.31 -0.87 0.00 0.00 176.83 176.68 3h5u s TYR 4 N -6.05 0.11 0.04 4.77 2.02 -1.26 -1.37 117.35 115.61 3h5u s TYR 4 Ca -0.13 -0.31 0.09 0.00 -0.37 0.00 0.00 57.07 56.34 3h5u s TYR 4 Cb 0.18 -0.08 -0.03 0.00 -0.40 0.00 0.00 41.96 41.63 3h5u s TYR 4 CO 0.82 -0.35 -0.25 0.95 -1.57 0.00 0.00 175.55 175.15 3h5u s THR 5 N -2.13 2.05 0.05 -0.71 -4.23 -0.22 -4.86 115.64 105.58 3h5u s THR 5 Ca -0.09 -1.34 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 3h5u s THR 5 Cb -0.04 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 3h5u s THR 5 CO -0.02 0.35 -0.26 0.26 -0.54 0.00 0.00 174.62 174.41 3h5u s TRP 6 N -0.79 2.32 -0.47 3.99 0.52 -1.26 -0.91 118.94 122.34 3h5u s TRP 6 Ca 0.11 -0.41 0.23 0.00 0.02 0.00 0.00 56.10 56.05 3h5u s TRP 6 Cb -0.10 -1.39 0.19 0.00 -1.15 0.00 0.00 33.47 31.02 3h5u s TRP 6 CO 0.02 0.13 1.20 1.79 0.02 0.00 0.00 176.95 180.11 3h5u h THR 7 N 4.21 0.00 0.00 2.01 1.35 -1.45 -3.47 112.91 115.56 3h5u h THR 7 Ca -0.47 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3h5u h THR 7 Cb 1.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3h5u h THR 7 CO 0.43 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 3h5u n GLY 8 N 1.27 0.68 3.77 5.82 0.00 -1.26 -5.06 105.19 110.41 3h5u n GLY 8 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3h5u n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5u s ALA 9 N -2.30 3.31 0.44 4.61 0.00 -1.26 -4.99 121.76 121.57 3h5u s ALA 9 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 3h5u s ALA 9 Cb 0.00 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 3h5u s ALA 9 CO 0.00 -0.81 0.96 -0.51 0.00 0.00 0.00 175.76 175.40 3h5u s LEU 10 N -2.33 3.92 -0.25 0.00 1.43 -1.26 -4.76 118.68 115.43 3h5u s LEU 10 Ca 0.56 1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 55.11 3h5u s LEU 10 Cb -0.39 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.30 3h5u s LEU 10 CO 0.50 -0.43 0.96 -0.63 0.23 0.00 0.00 176.35 176.98 3h5u s ILE 11 N -2.16 4.72 0.14 -0.59 1.01 -1.26 -4.83 121.20 118.24 3h5u s ILE 11 Ca 0.63 1.80 0.09 0.00 0.00 0.00 0.00 60.65 63.17 3h5u s ILE 11 Cb -0.10 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3h5u s ILE 11 CO 0.14 -0.18 -0.14 0.42 0.00 0.00 0.00 174.94 175.18 3h5u s THR 12 N 3.12 3.00 0.95 2.92 -4.23 -1.26 -4.86 115.64 115.28 3h5u s THR 12 Ca 0.41 -1.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 3h5u s THR 12 Cb -0.15 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.43 3h5u s THR 12 CO 0.08 0.01 1.18 -2.16 -0.54 0.00 0.00 174.62 173.18 3h5u s PRO 13 N -2.44 0.82 0.00 3.99 0.05 -1.26 -4.28 135.00 131.87 3h5u s PRO 13 Ca 0.21 0.08 0.05 0.00 0.05 0.00 0.00 61.00 61.39 3h5u s PRO 13 Cb -0.10 -1.82 0.11 0.00 0.05 0.00 0.00 34.50 32.74 3h5u s PRO 13 CO 0.12 -2.38 1.00 0.00 0.05 0.00 0.00 177.00 175.79 3h5u s ALA 15 N -0.85 -1.88 0.47 0.00 0.00 -1.26 -5.14 121.76 113.10 3h5u s ALA 15 Ca 0.09 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 3h5u s ALA 15 Cb 0.05 0.43 -0.09 0.00 0.00 0.00 0.00 23.12 23.51 3h5u s ALA 15 CO 0.07 -0.91 1.12 0.00 0.00 0.00 0.00 175.76 176.04 3h5u n ALA 16 N -0.38 0.70 -3.42 0.00 0.00 -1.26 -4.98 120.51 111.17 3h5u n ALA 16 Ca -0.06 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3h5u n ALA 16 Cb 0.61 -2.18 -0.17 0.00 0.00 0.00 0.00 19.45 17.72 3h5u n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h5u s GLU 17 N -2.32 2.70 -0.11 0.00 2.02 -1.26 -5.12 118.70 114.61 3h5u s GLU 17 Ca 0.66 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.81 3h5u s GLU 17 Cb -0.50 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 3h5u s GLU 17 CO 0.54 0.08 0.19 -1.21 0.02 0.00 0.00 175.26 174.88 3h5u s GLU 18 N 0.59 3.66 -0.02 1.61 2.02 -1.26 -4.98 118.70 120.31 3h5u s GLU 18 Ca -0.14 -0.05 0.12 0.00 0.02 0.00 0.00 54.97 54.93 3h5u s GLU 18 Cb -0.17 -3.24 -0.19 0.00 0.10 0.00 0.00 34.13 30.64 3h5u s GLU 18 CO 0.04 0.67 0.25 -1.13 0.02 0.00 0.00 175.26 175.12 3h5u n SER 19 N 2.25 2.22 -4.77 -0.19 3.41 -1.26 -4.51 113.62 110.77 3h5u n SER 19 Ca -0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.06 3h5u n SER 19 Cb 0.54 1.51 -0.06 0.00 -0.26 0.00 0.00 64.21 65.93 3h5u n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h5u s LYS 20 N -2.81 4.11 -0.22 4.33 1.02 -1.26 -1.54 119.74 123.36 3h5u s LYS 20 Ca -0.05 0.27 -0.35 0.00 0.02 0.00 0.00 55.97 55.87 3h5u s LYS 20 Cb 0.08 -3.34 -0.12 0.00 -0.52 0.00 0.00 37.83 33.92 3h5u s LYS 20 CO 0.50 0.41 1.99 -0.11 -0.92 0.00 0.00 175.35 177.22 3h5u n LEU 21 N 2.90 2.81 -4.74 3.17 7.94 -1.26 -4.91 117.00 122.91 3h5u n LEU 21 Ca -0.12 0.75 -0.41 0.00 -1.11 0.00 0.00 56.01 55.11 3h5u n LEU 21 Cb 0.52 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 3h5u n LEU 21 CO 0.39 -0.39 1.01 -2.84 -1.11 0.00 0.00 177.39 174.45 3h5u s PRO 22 N 4.88 4.37 -0.15 1.96 0.02 -1.26 -5.02 135.00 139.80 3h5u s PRO 22 Ca 1.00 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 64.09 3h5u s PRO 22 Cb -0.79 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 30.53 3h5u s PRO 22 CO 0.52 -0.28 -0.04 0.42 -0.33 0.00 0.00 177.00 177.29 3h5u s ILE 23 N 0.08 3.85 0.00 2.83 -1.09 -1.26 -4.66 121.20 120.96 3h5u s ILE 23 Ca 0.57 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 3h5u s ILE 23 Cb -0.37 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 3h5u s ILE 23 CO 0.39 0.50 0.00 -0.46 -1.23 0.00 0.00 174.94 174.15 3h5u n ASN 24 N 3.41 1.35 0.27 3.58 6.94 -1.26 -5.00 115.26 124.54 3h5u n ASN 24 Ca -0.17 -0.63 0.14 0.00 -0.02 0.00 0.00 54.58 53.90 3h5u n ASN 24 Cb 0.53 0.00 0.72 0.00 -2.36 0.00 0.00 39.78 38.66 3h5u n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h5u h ALA 25 N 1.00 1.14 0.00 -2.53 0.00 -1.99 -2.97 119.26 113.91 3h5u h ALA 25 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h5u h ALA 25 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h5u h ALA 25 CO 0.00 0.13 -1.21 1.28 0.00 0.00 0.00 179.25 179.46 3h5u n LEU 26 N -3.43 0.61 -0.06 0.00 4.77 -1.26 -4.52 117.00 113.12 3h5u n LEU 26 Ca -0.01 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.08 3h5u n LEU 26 Cb 0.27 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3h5u n LEU 26 CO 0.29 -0.10 0.80 0.28 -1.33 0.00 0.00 177.39 177.33 3h5u h SER 27 N 0.00 -0.31 0.70 -1.43 0.02 -1.88 -2.58 113.55 108.08 3h5u h SER 27 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3h5u h SER 27 Cb 0.94 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3h5u h SER 27 CO 0.00 -0.12 0.00 0.78 -1.14 0.00 0.00 176.83 176.35 3h5u h ASN 28 N -0.04 0.00 1.17 3.07 2.35 -1.78 -0.87 115.58 119.48 3h5u h ASN 28 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3h5u h ASN 28 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3h5u h ASN 28 CO -0.28 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 176.27 3h5u h SER 29 N 0.00 0.00 0.00 5.81 4.64 -1.74 -3.34 113.55 118.92 3h5u h SER 29 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3h5u h SER 29 Cb 0.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 3h5u h SER 29 CO 0.00 0.00 -2.47 -0.11 -0.87 0.00 0.00 176.83 173.38 3h5u n LEU 30 N -3.07 1.85 -3.68 5.97 7.94 -0.41 -4.66 117.00 120.94 3h5u n LEU 30 Ca 0.01 0.32 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 3h5u n LEU 30 Cb 0.34 -0.78 -0.13 0.00 0.53 0.00 0.00 43.42 43.39 3h5u n LEU 30 CO 0.28 0.55 -0.10 -0.22 -1.11 0.00 0.00 177.39 176.79 3h5u s LEU 31 N -7.43 -0.16 -0.15 -1.96 0.20 -0.71 -3.96 118.68 104.51 3h5u s LEU 31 Ca -0.37 0.65 0.03 0.00 0.69 0.00 0.00 54.13 55.14 3h5u s LEU 31 Cb 0.14 0.84 -0.23 0.00 -0.43 0.00 0.00 46.19 46.51 3h5u s LEU 31 CO 0.46 -0.22 0.23 0.54 -0.29 0.00 0.00 176.35 177.08 3h5u n ARG 32 N 5.01 0.69 -2.31 1.98 1.74 0.16 -4.18 116.66 119.75 3h5u n ARG 32 Ca -0.12 0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 3h5u n ARG 32 Cb 0.51 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3h5u n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3h5u n HIS 33 N -3.23 4.15 0.22 -1.55 8.25 -0.69 -4.79 115.22 117.58 3h5u n HIS 33 Ca -0.33 -2.95 0.06 0.00 -0.26 0.00 0.00 57.72 54.24 3h5u n HIS 33 Cb 1.05 -2.49 0.49 0.00 1.12 0.00 0.00 29.99 30.16 3h5u n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h5u h HIS 34 N 6.80 0.00 0.00 4.41 3.86 -1.85 -2.56 115.15 125.80 3h5u h HIS 34 Ca 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 3h5u h HIS 34 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 3h5u h HIS 34 CO 1.38 0.24 0.00 0.09 0.86 0.00 0.00 177.93 180.50 3h5u n ASN 35 N -4.10 0.00 0.19 2.45 3.02 -1.26 -2.49 115.26 113.06 3h5u n ASN 35 Ca -0.02 -0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 3h5u n ASN 35 Cb 0.31 -0.28 0.17 0.00 -0.61 0.00 0.00 39.78 39.37 3h5u n ASN 35 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3h5u h MET 36 N 0.00 0.00 -5.85 3.52 2.86 -1.86 -3.46 114.93 110.13 3h5u h MET 36 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 3h5u h MET 36 Cb 0.24 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.80 3h5u h MET 36 CO 0.00 0.00 -0.55 0.08 1.06 0.00 0.00 176.91 177.50 3h5u s VAL 37 N -3.22 4.90 0.10 -2.22 1.01 -1.04 -0.11 120.40 119.82 3h5u s VAL 37 Ca 0.06 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 3h5u s VAL 37 Cb 0.07 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.34 3h5u s VAL 37 CO 0.68 0.53 0.41 -0.72 0.00 0.00 0.00 175.10 176.01 3h5u s TYR 38 N -1.03 -0.24 -0.07 5.22 1.13 -0.78 -4.03 117.35 117.55 3h5u s TYR 38 Ca 0.17 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.85 3h5u s TYR 38 Cb -0.12 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.97 3h5u s TYR 38 CO 0.07 -0.67 -0.08 0.00 -2.51 0.00 0.00 175.55 172.35 3h5u s ALA 39 N -3.41 2.91 0.56 9.51 0.00 -0.59 -0.86 121.76 129.88 3h5u s ALA 39 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3h5u s ALA 39 Cb 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 3h5u s ALA 39 CO -0.09 0.55 1.07 0.95 0.00 0.00 0.00 175.76 178.25 3h5u s THR 40 N -0.74 3.58 0.21 0.00 -4.23 -0.15 -4.44 115.64 109.87 3h5u s THR 40 Ca 0.11 0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 61.49 3h5u s THR 40 Cb -0.11 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 3h5u s THR 40 CO 0.01 -0.32 0.14 0.42 -0.54 0.00 0.00 174.62 174.33 3h5u s THR 41 N -2.13 0.03 -1.21 3.99 -4.23 -1.26 -4.13 115.64 106.69 3h5u s THR 41 Ca 0.67 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 3h5u s THR 41 Cb -0.18 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.25 3h5u s THR 41 CO 0.30 0.00 1.19 -1.54 -0.54 0.00 0.00 174.62 174.02 3h5u n SER 42 N -0.39 0.00 0.28 3.99 3.41 -1.26 -1.88 113.62 117.76 3h5u n SER 42 Ca 0.02 0.34 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 3h5u n SER 42 Cb 0.66 -0.39 0.79 0.00 -0.26 0.00 0.00 64.21 65.00 3h5u n SER 42 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h5u h ARG 43 N 0.00 0.00 -0.24 4.33 3.08 -1.96 -2.44 114.38 117.15 3h5u h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h5u h ARG 43 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3h5u h ARG 43 CO 0.00 0.09 0.00 -1.13 -1.07 0.00 0.00 179.97 177.86 3h5u n SER 44 N -3.54 2.86 -0.32 7.04 3.41 -0.79 -4.59 113.62 117.68 3h5u n SER 44 Ca -0.02 -1.91 0.01 0.00 -0.26 0.00 0.00 58.87 56.69 3h5u n SER 44 Cb 0.21 -0.15 0.18 0.00 -0.26 0.00 0.00 64.21 64.20 3h5u n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5u h ALA 45 N 4.46 1.39 -0.77 7.33 0.00 -1.60 -1.44 119.26 128.64 3h5u h ALA 45 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3h5u h ALA 45 Cb 0.86 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3h5u h ALA 45 CO 0.00 0.53 0.50 0.78 0.00 0.00 0.00 179.25 181.06 3h5u h GLY 46 N 1.19 0.97 1.01 0.00 0.00 -1.81 0.75 103.07 105.19 3h5u h GLY 46 Ca 0.36 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3h5u h GLY 46 CO -0.10 0.16 -0.06 1.41 0.00 0.00 0.00 176.54 177.96 3h5u h LEU 47 N 0.68 0.86 -0.54 3.11 3.38 -1.60 -2.70 115.31 118.51 3h5u h LEU 47 Ca 0.35 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3h5u h LEU 47 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3h5u h LEU 47 CO -0.13 0.99 0.19 -0.09 0.09 0.00 0.00 178.44 179.49 3h5u h ARG 48 N 0.71 0.82 -0.67 1.13 9.65 -1.19 -2.61 114.38 122.23 3h5u h ARG 48 Ca 0.13 -0.17 0.12 0.00 -1.10 0.00 0.00 59.98 58.96 3h5u h ARG 48 Cb 0.58 -0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 28.95 3h5u h ARG 48 CO 0.04 0.74 0.22 1.96 2.80 0.00 0.00 179.97 185.73 3h5u h GLN 49 N 0.74 0.36 -0.84 0.20 4.20 -0.85 -0.76 115.11 118.16 3h5u h GLN 49 Ca 0.18 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3h5u h GLN 49 Cb 0.25 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 3h5u h GLN 49 CO -0.01 0.24 0.45 0.87 -0.67 0.00 0.00 178.83 179.71 3h5u h LYS 50 N 0.37 1.19 -0.38 1.46 1.57 -1.29 -2.77 116.57 116.72 3h5u h LYS 50 Ca 0.36 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 3h5u h LYS 50 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3h5u h LYS 50 CO -0.38 0.88 -0.25 0.87 -0.57 0.00 0.00 179.45 180.00 3h5u h LYS 51 N 1.18 0.84 -0.01 3.15 1.57 -0.89 -3.20 116.57 119.21 3h5u h LYS 51 Ca 0.30 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3h5u h LYS 51 Cb 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3h5u h LYS 51 CO -0.05 1.03 -0.00 1.33 -0.57 0.00 0.00 179.45 181.20 3h5u n VAL 52 N -4.20 0.00 -3.60 0.50 0.24 -0.40 -4.76 118.33 106.11 3h5u n VAL 52 Ca -0.02 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.71 3h5u n VAL 52 Cb 0.46 0.19 -0.11 0.00 -1.47 0.00 0.00 33.84 32.91 3h5u n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h5u s THR 53 N -2.00 4.41 0.25 3.34 2.01 -1.05 -4.63 115.64 117.96 3h5u s THR 53 Ca 0.41 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 3h5u s THR 53 Cb 0.21 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3h5u s THR 53 CO 0.35 -0.35 0.63 0.72 -0.69 0.00 0.00 174.62 175.27 3h5u s PHE 54 N 1.50 -0.06 0.14 4.92 -0.12 -1.26 -4.95 117.98 118.15 3h5u s PHE 54 Ca 0.02 -0.35 -0.25 0.00 -0.05 0.00 0.00 56.93 56.30 3h5u s PHE 54 Cb -0.21 0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 3h5u s PHE 54 CO 0.05 -1.12 0.77 0.34 -0.05 0.00 0.00 175.22 175.21 3h5u s ASP 55 N -2.93 7.35 -0.19 1.98 2.15 -1.26 -0.52 116.67 123.26 3h5u s ASP 55 Ca 0.13 1.61 -0.03 0.00 0.43 0.00 0.00 52.55 54.68 3h5u s ASP 55 Cb -0.04 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 3h5u s ASP 55 CO 0.05 0.17 -0.05 -0.13 -0.17 0.00 0.00 175.17 175.04 3h5u s ARG 56 N -0.92 3.49 -0.09 4.34 3.00 -0.28 -4.96 118.95 123.53 3h5u s ARG 56 Ca 0.36 -0.59 0.01 0.00 0.00 0.00 0.00 55.73 55.51 3h5u s ARG 56 Cb -0.23 -2.94 -0.02 0.00 0.00 0.00 0.00 34.95 31.76 3h5u s ARG 56 CO 0.26 0.01 -0.10 -0.51 0.00 0.00 0.00 175.30 174.95 3h5u s LEU 57 N 0.95 2.92 -0.06 2.53 1.02 -1.26 -4.70 118.68 120.08 3h5u s LEU 57 Ca -0.00 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 53.99 3h5u s LEU 57 Cb -0.15 -1.64 0.01 0.00 0.02 0.00 0.00 46.19 44.43 3h5u s LEU 57 CO 0.01 0.27 -0.13 -1.10 0.02 0.00 0.00 176.35 175.42 3h5u s GLN 58 N -0.26 1.69 -0.21 1.70 -0.21 -1.26 -4.10 119.66 117.00 3h5u s GLN 58 Ca 0.03 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 54.97 3h5u s GLN 58 Cb -0.13 -1.41 0.04 0.00 1.00 0.00 0.00 33.01 32.52 3h5u s GLN 58 CO 0.03 0.07 -0.13 0.08 -2.12 0.00 0.00 175.29 173.22 3h5u s VAL 59 N 0.52 1.91 -0.23 1.09 1.01 -0.50 -5.03 120.40 119.17 3h5u s VAL 59 Ca -0.12 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 3h5u s VAL 59 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3h5u s VAL 59 CO 0.03 0.20 0.01 -0.76 0.00 0.00 0.00 175.10 174.58 3h5u s LEU 60 N 1.28 3.21 0.00 3.92 1.43 -1.26 -4.37 118.68 122.88 3h5u s LEU 60 Ca -0.02 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3h5u s LEU 60 Cb -0.17 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3h5u s LEU 60 CO -0.08 -0.00 0.11 -0.90 0.23 0.00 0.00 176.35 175.70 3h5u n ASP 61 N 4.68 1.52 -0.05 2.29 5.68 -1.26 -4.99 116.55 124.42 3h5u n ASP 61 Ca -0.17 -1.53 -0.07 0.00 -0.50 0.00 0.00 54.79 52.51 3h5u n ASP 61 Cb 0.51 -0.01 0.10 0.00 -1.14 0.00 0.00 41.12 40.59 3h5u n ASP 61 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3h5u h ASP 62 N 0.19 0.70 -0.70 -1.12 3.32 -1.99 -2.37 116.42 114.45 3h5u h ASP 62 Ca -0.10 -0.28 0.14 0.00 0.02 0.00 0.00 57.03 56.82 3h5u h ASP 62 Cb 0.35 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 3h5u h ASP 62 CO 0.15 0.96 0.18 0.45 -1.72 0.00 0.00 179.24 179.26 3h5u h HIS 63 N 0.58 0.29 -0.21 4.55 3.86 -1.96 0.18 115.15 122.43 3h5u h HIS 63 Ca 0.07 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3h5u h HIS 63 Cb 0.80 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 3h5u h HIS 63 CO 0.04 -0.05 0.08 -0.92 0.86 0.00 0.00 177.93 177.94 3h5u h TYR 64 N 0.29 0.32 -0.08 2.45 5.03 -1.76 -1.64 116.97 121.58 3h5u h TYR 64 Ca 0.38 -0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.52 3h5u h TYR 64 Cb 0.62 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 3h5u h TYR 64 CO -0.24 0.36 -0.60 0.00 -1.32 0.00 0.00 178.16 176.36 3h5u h ARG 65 N 0.18 0.26 0.37 1.82 3.08 -1.16 -1.23 114.38 117.70 3h5u h ARG 65 Ca 0.07 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3h5u h ARG 65 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3h5u h ARG 65 CO -0.01 0.78 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.99 3h5u h ASP 66 N 0.19 -0.64 -0.11 7.04 3.32 -0.50 0.35 116.42 126.07 3h5u h ASP 66 Ca -0.01 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3h5u h ASP 66 Cb 1.11 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3h5u h ASP 66 CO 0.09 -0.39 0.02 0.58 -1.72 0.00 0.00 179.24 177.83 3h5u h VAL 67 N -0.61 0.95 -0.31 -1.35 2.07 -1.28 -2.89 116.25 112.84 3h5u h VAL 67 Ca -0.04 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3h5u h VAL 67 Cb 0.51 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 3h5u h VAL 67 CO 0.02 0.01 -0.12 0.25 0.02 0.00 0.00 177.57 177.75 3h5u h LEU 68 N 0.07 -0.42 -0.78 2.57 5.85 -1.17 -0.10 115.31 121.32 3h5u h LEU 68 Ca 0.05 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.04 3h5u h LEU 68 Cb 0.04 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 3h5u h LEU 68 CO -0.07 -0.15 0.30 0.50 -0.34 0.00 0.00 178.44 178.67 3h5u h LYS 69 N -0.06 0.40 -0.48 1.25 3.64 -0.80 -0.16 116.57 120.34 3h5u h LYS 69 Ca 0.16 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3h5u h LYS 69 Cb 0.30 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h5u h LYS 69 CO -0.36 0.26 -0.12 0.93 -2.27 0.00 0.00 179.45 177.90 3h5u h GLU 70 N 0.41 0.94 -0.32 1.90 5.08 -1.17 -0.42 114.58 121.00 3h5u h GLU 70 Ca 0.44 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h5u h GLU 70 Cb 0.72 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3h5u h GLU 70 CO -0.45 1.02 0.19 0.52 -1.00 0.00 0.00 179.01 179.29 3h5u h MET 71 N 0.79 0.43 -0.39 2.33 2.86 -0.48 -2.19 114.93 118.27 3h5u h MET 71 Ca 0.12 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3h5u h MET 71 Cb 0.68 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3h5u h MET 71 CO 0.05 0.33 0.13 0.87 1.06 0.00 0.00 176.91 179.35 3h5u h LYS 72 N 0.41 0.56 -0.72 1.72 1.57 -0.84 -0.07 116.57 119.20 3h5u h LYS 72 Ca 0.11 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3h5u h LYS 72 Cb 0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3h5u h LYS 72 CO -0.02 0.49 0.23 0.00 -0.57 0.00 0.00 179.45 179.58 3h5u h ALA 73 N 1.59 1.06 -0.31 3.86 0.00 -0.68 -1.15 119.26 123.63 3h5u h ALA 73 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3h5u h ALA 73 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h5u h ALA 73 CO -0.01 0.64 -0.23 0.87 0.00 0.00 0.00 179.25 180.52 3h5u h LYS 74 N 1.06 0.70 0.00 0.00 1.57 -0.91 -3.07 116.57 115.92 3h5u h LYS 74 Ca 0.23 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3h5u h LYS 74 Cb 0.28 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h5u h LYS 74 CO -0.01 0.95 -0.00 0.00 -0.57 0.00 0.00 179.45 179.82 3h5u h ALA 75 N 0.74 1.98 0.00 3.86 0.00 -0.85 -1.55 119.26 123.44 3h5u h ALA 75 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h5u h ALA 75 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h5u h ALA 75 CO 0.06 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 3h5u n SER 76 N -4.52 0.40 0.01 0.00 3.41 -0.45 -2.03 113.62 110.45 3h5u n SER 76 Ca -0.03 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3h5u n SER 76 Cb 0.09 -0.70 0.33 0.00 -0.26 0.00 0.00 64.21 63.67 3h5u n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h5u n THR 77 N -1.97 0.06 -2.68 6.66 -2.24 -0.58 -4.68 114.28 108.86 3h5u n THR 77 Ca 0.02 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 3h5u n THR 77 Cb 0.16 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 3h5u n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5u s VAL 78 N -3.03 4.50 -0.22 2.28 1.01 -0.86 -4.95 120.40 119.13 3h5u s VAL 78 Ca 0.11 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 64.04 3h5u s VAL 78 Cb 0.17 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3h5u s VAL 78 CO 0.66 0.26 -0.05 -0.75 0.00 0.00 0.00 175.10 175.22 3h5u s LYS 79 N 0.28 3.37 0.08 2.72 2.20 -1.26 -0.83 119.74 126.29 3h5u s LYS 79 Ca 0.49 -0.63 0.10 0.00 -0.36 0.00 0.00 55.97 55.57 3h5u s LYS 79 Cb -0.24 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3h5u s LYS 79 CO 0.30 -0.19 -0.25 0.00 -0.36 0.00 0.00 175.35 174.85 3h5u s ALA 80 N 1.45 2.38 0.28 3.13 0.00 -0.63 -4.95 121.76 123.41 3h5u s ALA 80 Ca 0.06 -1.33 0.09 0.00 0.00 0.00 0.00 51.96 50.77 3h5u s ALA 80 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3h5u s ALA 80 CO -0.04 0.55 0.06 -1.59 0.00 0.00 0.00 175.76 174.74 3h5u s LYS 81 N -1.61 2.43 0.18 0.00 -2.85 -1.26 -4.53 119.74 112.11 3h5u s LYS 81 Ca 0.13 -1.37 -0.27 0.00 -1.00 0.00 0.00 55.97 53.46 3h5u s LYS 81 Cb -0.10 -2.24 -0.08 0.00 -2.06 0.00 0.00 37.83 33.35 3h5u s LYS 81 CO 0.04 0.32 0.84 -1.17 0.10 0.00 0.00 175.35 175.49 3h5u s LEU 82 N -3.74 4.60 0.22 2.77 2.96 -1.26 -4.49 118.68 119.74 3h5u s LEU 82 Ca 0.33 1.75 -0.18 0.00 -0.22 0.00 0.00 54.13 55.81 3h5u s LEU 82 Cb -0.06 -3.42 -0.08 0.00 0.50 0.00 0.00 46.19 43.13 3h5u s LEU 82 CO 0.21 0.17 0.68 -0.76 -1.32 0.00 0.00 176.35 175.34 3h5u s LEU 83 N -1.04 4.30 1.01 -0.68 1.02 -0.62 -5.06 118.68 117.62 3h5u s LEU 83 Ca 0.38 1.31 -0.12 0.00 0.02 0.00 0.00 54.13 55.72 3h5u s LEU 83 Cb -0.24 -3.58 0.20 0.00 0.02 0.00 0.00 46.19 42.58 3h5u s LEU 83 CO 0.28 0.01 1.09 -0.94 0.02 0.00 0.00 176.35 176.82 3h5u s SER 84 N -1.77 2.51 0.10 2.29 1.04 -1.26 -4.68 113.70 111.94 3h5u s SER 84 Ca 0.43 1.16 -0.19 0.00 0.48 0.00 0.00 55.95 57.83 3h5u s SER 84 Cb -0.15 -1.82 -0.07 0.00 0.10 0.00 0.00 66.02 64.08 3h5u s SER 84 CO 0.20 -3.20 1.60 0.58 0.98 0.00 0.00 173.24 173.40 3h5u h VAL 85 N -1.94 1.20 -0.71 5.02 2.07 -1.98 -2.28 116.25 117.64 3h5u h VAL 85 Ca -0.55 -0.66 0.13 0.00 0.82 0.00 0.00 66.70 66.44 3h5u h VAL 85 Cb 1.33 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 32.18 3h5u h VAL 85 CO 0.58 0.21 0.26 -0.33 0.02 0.00 0.00 177.57 178.31 3h5u h GLU 86 N 0.24 0.40 -0.56 1.57 5.08 -1.97 0.12 114.58 119.45 3h5u h GLU 86 Ca 0.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3h5u h GLU 86 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3h5u h GLU 86 CO -0.00 0.26 0.06 0.93 -1.00 0.00 0.00 179.01 179.27 3h5u h GLU 87 N 0.41 0.95 -0.39 2.33 5.08 -1.89 -1.60 114.58 119.47 3h5u h GLU 87 Ca 0.38 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3h5u h GLU 87 Cb 0.55 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3h5u h GLU 87 CO -0.39 0.93 0.02 0.00 -1.00 0.00 0.00 179.01 178.57 3h5u h ALA 88 N 0.99 0.52 -0.49 3.43 0.00 -0.97 -2.95 119.26 119.79 3h5u h ALA 88 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h5u h ALA 88 Cb 0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3h5u h ALA 88 CO 0.02 0.28 0.31 0.00 0.00 0.00 0.00 179.25 179.86 3h5u n LYS 90 N -4.78 0.17 0.00 0.00 4.76 -0.61 -1.06 118.16 116.63 3h5u n LYS 90 Ca 0.03 0.44 0.14 0.00 -2.87 0.00 0.00 58.31 56.05 3h5u n LYS 90 Cb 0.05 -1.85 0.57 0.00 -1.84 0.00 0.00 35.03 31.96 3h5u n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h5u n LEU 91 N -2.17 0.76 -4.69 -0.35 4.77 -1.00 -4.86 117.00 109.45 3h5u n LEU 91 Ca 0.02 -0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 3h5u n LEU 91 Cb 0.19 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3h5u n LEU 91 CO 0.17 0.14 0.74 -0.89 -1.33 0.00 0.00 177.39 176.22 3h5u s THR 92 N -2.34 4.82 0.29 -5.08 2.01 -0.22 -0.41 115.64 114.71 3h5u s THR 92 Ca 0.31 1.99 -0.30 0.00 0.31 0.00 0.00 61.69 64.01 3h5u s THR 92 Cb 0.20 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 3h5u s THR 92 CO 0.45 0.05 1.51 -2.65 -0.69 0.00 0.00 174.62 173.29 3h5u n PRO 93 N 4.74 2.48 -0.34 4.92 -0.02 -1.26 -4.79 135.00 140.73 3h5u n PRO 93 Ca 0.07 0.88 0.24 0.00 -2.02 0.00 0.00 63.50 62.67 3h5u n PRO 93 Cb 0.49 -2.61 0.51 0.00 -0.02 0.00 0.00 33.50 31.87 3h5u n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h5u h PRO 94 N 4.24 0.36 -0.48 0.52 0.11 -1.95 -2.07 132.00 132.74 3h5u h PRO 94 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3h5u h PRO 94 Cb 1.24 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3h5u h PRO 94 CO 0.75 0.24 0.08 0.72 -0.21 0.00 0.00 178.00 179.58 3h5u n HIS 95 N -4.69 1.66 -1.74 0.65 8.25 -1.26 -4.25 115.22 113.84 3h5u n HIS 95 Ca 0.27 -1.05 -0.39 0.00 -0.26 0.00 0.00 57.72 56.29 3h5u n HIS 95 Cb 0.93 -0.50 0.03 0.00 1.12 0.00 0.00 29.99 31.58 3h5u n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h5u n SER 96 N -0.29 2.84 -4.63 0.41 2.88 -0.78 -4.88 113.62 109.16 3h5u n SER 96 Ca 0.30 1.04 -0.54 0.00 -1.33 0.00 0.00 58.87 58.35 3h5u n SER 96 Cb 1.13 -1.57 -0.06 0.00 -0.75 0.00 0.00 64.21 62.95 3h5u n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h5u n ALA 97 N -0.67 -0.64 -0.77 -1.46 0.00 -1.26 -4.32 120.51 111.39 3h5u n ALA 97 Ca 0.08 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 3h5u n ALA 97 Cb 0.43 -2.14 0.16 0.00 0.00 0.00 0.00 19.45 17.90 3h5u n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h5u s LYS 98 N 1.53 1.18 0.55 0.00 -2.85 -1.26 -4.57 119.74 114.33 3h5u s LYS 98 Ca 0.89 1.50 -0.18 0.00 -1.00 0.00 0.00 55.97 57.18 3h5u s LYS 98 Cb -0.98 -1.75 -0.06 0.00 -2.06 0.00 0.00 37.83 32.98 3h5u s LYS 98 CO 0.53 -2.50 1.08 0.45 0.10 0.00 0.00 175.35 175.00 3h5u s SER 99 N -2.77 5.89 0.00 0.03 0.15 -0.10 -4.63 113.70 112.28 3h5u s SER 99 Ca 0.66 1.98 0.16 0.00 0.70 0.00 0.00 55.95 59.45 3h5u s SER 99 Cb -0.22 -2.56 0.73 0.00 -1.71 0.00 0.00 66.02 62.26 3h5u s SER 99 CO 0.58 -1.09 1.49 0.29 1.20 0.00 0.00 173.24 175.70 3h5u n LYS 100 N -1.48 0.09 -0.86 5.44 5.02 -1.26 -3.72 118.16 121.38 3h5u n LYS 100 Ca 0.10 0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 56.52 3h5u n LYS 100 Cb 0.52 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.25 3h5u n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h5u n PHE 101 N -1.42 1.61 -0.94 2.13 3.72 -1.26 -4.96 117.46 116.34 3h5u n PHE 101 Ca 0.05 -1.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.96 3h5u n PHE 101 Cb 0.16 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 3h5u n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h5u n GLY 102 N -0.93 0.86 3.25 1.37 0.00 -1.24 -5.07 105.19 103.44 3h5u n GLY 102 Ca 0.37 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3h5u n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h5u s TYR 103 N -2.00 0.58 0.17 1.61 1.13 -1.26 -5.01 117.35 112.57 3h5u s TYR 103 Ca 0.00 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 3h5u s TYR 103 Cb 0.00 -0.23 -0.00 0.00 -1.10 0.00 0.00 41.96 40.63 3h5u s TYR 103 CO 0.00 -0.63 0.02 0.41 -2.51 0.00 0.00 175.55 172.84 3h5u n GLY 104 N -0.15 3.91 0.21 5.49 0.00 -1.26 -0.92 105.19 112.46 3h5u n GLY 104 Ca -0.07 -2.18 0.04 0.00 0.00 0.00 0.00 46.02 43.81 3h5u n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5u h ALA 105 N 1.15 1.57 0.00 4.61 0.00 -1.81 -1.59 119.26 123.20 3h5u h ALA 105 Ca -0.14 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 3h5u h ALA 105 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3h5u h ALA 105 CO 0.23 0.32 -0.90 0.87 0.00 0.00 0.00 179.25 179.77 3h5u h LYS 106 N 0.03 0.03 -0.62 0.00 1.57 -1.87 0.13 116.57 115.83 3h5u h LYS 106 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3h5u h LYS 106 Cb 0.43 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3h5u h LYS 106 CO 0.03 0.91 0.30 -0.44 -0.57 0.00 0.00 179.45 179.68 3h5u h ASP 107 N 0.01 0.82 0.15 0.86 3.32 -1.84 -0.57 116.42 119.17 3h5u h ASP 107 Ca -0.02 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3h5u h ASP 107 Cb 1.58 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3h5u h ASP 107 CO 0.12 0.72 -0.07 0.58 -1.72 0.00 0.00 179.24 178.87 3h5u h VAL 108 N 0.86 0.92 -0.82 -1.35 2.07 -1.21 -0.07 116.25 116.64 3h5u h VAL 108 Ca 0.21 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3h5u h VAL 108 Cb 0.12 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3h5u h VAL 108 CO -0.03 0.07 0.54 0.03 0.02 0.00 0.00 177.57 178.20 3h5u h ARG 109 N -0.33 0.91 -0.03 1.57 3.08 -0.85 -0.38 114.38 118.36 3h5u h ARG 109 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3h5u h ARG 109 Cb 0.26 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3h5u h ARG 109 CO 0.03 0.60 0.00 0.09 -1.07 0.00 0.00 179.97 179.63 3h5u n ASN 110 N -4.47 0.37 -3.79 7.04 3.02 -0.23 -4.73 115.26 112.46 3h5u n ASN 110 Ca 0.12 -1.37 -0.26 0.00 -0.03 0.00 0.00 54.58 53.03 3h5u n ASN 110 Cb 0.18 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3h5u n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h5u n LEU 111 N -0.60 -2.89 -4.76 3.41 4.77 -0.15 -4.93 117.00 111.86 3h5u n LEU 111 Ca 0.17 -0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 54.98 3h5u n LEU 111 Cb 0.14 -2.67 -0.02 0.00 -2.33 0.00 0.00 43.42 38.53 3h5u n LEU 111 CO 0.13 0.47 1.00 -0.94 -1.33 0.00 0.00 177.39 176.72 3h5u s SER 112 N -3.70 6.80 0.31 -1.43 1.04 -0.07 -4.77 113.70 111.88 3h5u s SER 112 Ca 0.41 2.60 0.07 0.00 0.48 0.00 0.00 55.95 59.52 3h5u s SER 112 Cb -0.20 -2.63 0.85 0.00 0.10 0.00 0.00 66.02 64.13 3h5u s SER 112 CO 0.81 -0.55 1.69 0.77 0.98 0.00 0.00 173.24 176.94 3h5u h SER 113 N 4.18 0.40 -0.59 7.02 4.64 -1.91 0.14 113.55 127.44 3h5u h SER 113 Ca -0.47 0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 60.94 3h5u h SER 113 Cb 1.22 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 3h5u h SER 113 CO 0.71 -0.04 0.07 0.50 -0.87 0.00 0.00 176.83 177.19 3h5u h LYS 114 N 0.39 0.99 0.08 4.77 3.64 -1.95 0.15 116.57 124.62 3h5u h LYS 114 Ca 0.62 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3h5u h LYS 114 Cb 1.26 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3h5u h LYS 114 CO -0.56 0.95 -0.04 0.00 -2.27 0.00 0.00 179.45 177.53 3h5u h ALA 115 N 1.00 -0.10 -0.26 5.00 0.00 -1.13 -2.11 119.26 121.66 3h5u h ALA 115 Ca 0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3h5u h ALA 115 Cb 0.46 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3h5u h ALA 115 CO 0.02 -0.43 -0.21 0.28 0.00 0.00 0.00 179.25 178.90 3h5u h VAL 116 N -0.36 1.25 -0.38 0.00 2.07 -0.90 -0.49 116.25 117.44 3h5u h VAL 116 Ca -0.01 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 3h5u h VAL 116 Cb 0.30 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3h5u h VAL 116 CO 0.02 0.38 -0.05 0.78 0.02 0.00 0.00 177.57 178.71 3h5u h ASN 117 N 0.43 0.70 -0.21 0.57 2.35 -0.72 -1.74 115.58 116.96 3h5u h ASN 117 Ca 0.07 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3h5u h ASN 117 Cb 0.61 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3h5u h ASN 117 CO 0.04 0.88 0.12 -0.74 -1.65 0.00 0.00 177.43 176.08 3h5u h HIS 118 N 0.52 0.29 -0.41 1.19 2.76 -1.00 -2.12 115.15 116.38 3h5u h HIS 118 Ca 0.10 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3h5u h HIS 118 Cb 0.55 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 3h5u h HIS 118 CO 0.04 0.26 0.14 0.82 -1.30 0.00 0.00 177.93 177.89 3h5u h ILE 119 N 0.23 0.87 -0.91 6.26 2.04 -1.06 -0.18 117.51 124.76 3h5u h ILE 119 Ca 0.07 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3h5u h ILE 119 Cb 0.07 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 3h5u h ILE 119 CO -0.01 0.05 0.58 0.45 0.00 0.00 0.00 178.15 179.23 3h5u h HIS 120 N 0.29 0.96 -0.10 1.37 3.86 -1.24 -0.81 115.15 119.49 3h5u h HIS 120 Ca 0.19 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.25 3h5u h HIS 120 Cb 0.18 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 3h5u h HIS 120 CO -0.16 0.42 -0.70 0.66 0.86 0.00 0.00 177.93 179.02 3h5u h SER 121 N 0.88 0.50 -0.50 2.45 4.64 -0.47 -1.47 113.55 119.58 3h5u h SER 121 Ca 0.43 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3h5u h SER 121 Cb 0.46 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3h5u h SER 121 CO -0.19 1.05 -0.08 0.58 -0.87 0.00 0.00 176.83 177.31 3h5u h VAL 122 N 0.30 1.27 0.14 0.95 2.07 -0.58 -2.19 116.25 118.20 3h5u h VAL 122 Ca -0.02 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3h5u h VAL 122 Cb 1.26 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3h5u h VAL 122 CO 0.12 0.42 -0.07 -0.25 0.02 0.00 0.00 177.57 177.82 3h5u h TRP 123 N 0.79 -0.17 -0.45 1.57 2.91 -1.03 0.23 115.95 119.81 3h5u h TRP 123 Ca 0.13 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.22 3h5u h TRP 123 Cb 0.63 0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.28 3h5u h TRP 123 CO 0.05 -0.05 0.08 -0.22 -1.03 0.00 0.00 178.44 177.27 3h5u h LYS 124 N -0.25 0.21 -0.62 2.65 3.64 -1.27 -1.94 116.57 118.98 3h5u h LYS 124 Ca -0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3h5u h LYS 124 Cb 0.19 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3h5u h LYS 124 CO 0.03 0.14 0.30 0.22 -2.27 0.00 0.00 179.45 177.86 3h5u h ASP 125 N 0.21 0.80 -0.69 4.20 3.58 -1.17 -0.10 116.42 123.24 3h5u h ASP 125 Ca 0.22 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3h5u h ASP 125 Cb 0.29 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 3h5u h ASP 125 CO -0.30 0.68 0.46 -0.07 -2.88 0.00 0.00 179.24 177.13 3h5u h LEU 126 N 0.88 0.76 0.04 2.28 3.38 -0.22 -0.51 115.31 121.92 3h5u h LEU 126 Ca 0.22 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.94 3h5u h LEU 126 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3h5u h LEU 126 CO -0.03 0.54 -1.08 -0.07 0.09 0.00 0.00 178.44 177.89 3h5u h LEU 127 N 0.89 0.12 0.00 1.67 3.38 -0.67 -3.33 115.31 117.37 3h5u h LEU 127 Ca 0.26 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3h5u h LEU 127 Cb -0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3h5u h LEU 127 CO -0.07 1.10 -1.05 -0.33 0.09 0.00 0.00 178.44 178.19 3h5u h GLU 128 N 0.02 0.00 -3.99 1.13 4.39 -0.84 -3.46 114.58 111.84 3h5u h GLU 128 Ca -0.05 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.20 3h5u h GLU 128 Cb 1.83 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 30.12 3h5u h GLU 128 CO 0.15 0.55 -0.78 0.34 -1.16 0.00 0.00 179.01 178.11 3h5u s ASP 129 N -6.27 1.48 -0.07 1.42 -1.08 -0.22 -5.01 116.67 106.92 3h5u s ASP 129 Ca 0.00 -0.16 0.10 0.00 -0.52 0.00 0.00 52.55 51.98 3h5u s ASP 129 Cb 0.08 -0.55 0.16 0.00 -1.46 0.00 0.00 42.92 41.15 3h5u s ASP 129 CO 0.79 -0.11 1.06 0.35 0.52 0.00 0.00 175.17 177.79 3h5u n THR 130 N 4.60 1.40 0.00 1.71 -2.24 -1.26 -4.53 114.28 113.96 3h5u n THR 130 Ca -0.16 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 3h5u n THR 130 Cb 0.50 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3h5u n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h5u n VAL 131 N -0.97 0.00 -2.27 2.28 0.31 -1.26 -4.48 118.33 111.94 3h5u n VAL 131 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 3h5u n VAL 131 Cb 0.49 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 3h5u n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3h5u s THR 132 N -1.95 3.94 0.49 2.52 2.01 -1.26 -4.72 115.64 116.67 3h5u s THR 132 Ca 0.00 1.08 -0.24 0.00 0.31 0.00 0.00 61.69 62.84 3h5u s THR 132 Cb 0.00 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 3h5u s THR 132 CO 0.00 -0.34 1.41 -2.84 -0.69 0.00 0.00 174.62 172.16 3h5u s PRO 133 N 4.30 3.45 0.05 4.92 0.02 -1.26 -4.72 135.00 141.77 3h5u s PRO 133 Ca 0.63 2.38 -0.18 0.00 0.02 0.00 0.00 61.00 63.85 3h5u s PRO 133 Cb -0.21 -2.50 -0.06 0.00 0.02 0.00 0.00 34.50 31.74 3h5u s PRO 133 CO 0.25 -0.99 0.52 0.42 -0.33 0.00 0.00 177.00 176.87 3h5u s ILE 134 N -1.23 4.83 0.42 2.83 1.01 -0.05 -4.91 121.20 124.11 3h5u s ILE 134 Ca 0.65 1.08 -0.24 0.00 0.00 0.00 0.00 60.65 62.14 3h5u s ILE 134 Cb -0.43 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 3h5u s ILE 134 CO 0.54 0.55 1.14 -0.62 0.00 0.00 0.00 174.94 176.55 3h5u s ASP 135 N -1.13 6.43 0.13 3.58 2.15 -1.26 -4.16 116.67 122.40 3h5u s ASP 135 Ca 0.28 2.26 0.04 0.00 0.43 0.00 0.00 52.55 55.55 3h5u s ASP 135 Cb -0.18 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 3h5u s ASP 135 CO 0.17 -0.73 -0.09 0.42 -0.17 0.00 0.00 175.17 174.77 3h5u s THR 136 N -1.52 1.01 -0.18 1.71 -4.23 -1.06 -4.36 115.64 107.02 3h5u s THR 136 Ca 0.60 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 3h5u s THR 136 Cb -0.28 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 3h5u s THR 136 CO 0.34 -0.77 0.13 -0.89 -0.54 0.00 0.00 174.62 172.89 3h5u s THR 137 N -3.35 5.42 -0.22 3.99 2.01 -0.11 -0.21 115.64 123.17 3h5u s THR 137 Ca 0.14 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 3h5u s THR 137 Cb 0.03 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3h5u s THR 137 CO -0.01 0.49 0.04 -0.51 -0.69 0.00 0.00 174.62 173.94 3h5u s ILE 138 N -0.04 4.23 0.09 1.82 2.07 -0.49 -1.85 121.20 127.03 3h5u s ILE 138 Ca 0.10 -0.21 0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3h5u s ILE 138 Cb -0.11 -2.94 -0.03 0.00 0.13 0.00 0.00 42.46 39.51 3h5u s ILE 138 CO -0.00 0.40 -0.18 -0.04 -1.91 0.00 0.00 174.94 173.20 3h5u s MET 139 N 1.14 1.01 -0.12 3.50 -1.94 -0.47 -4.39 119.30 118.02 3h5u s MET 139 Ca 0.04 -1.07 -0.26 0.00 -1.71 0.00 0.00 55.69 52.69 3h5u s MET 139 Cb -0.14 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.51 3h5u s MET 139 CO 0.02 0.27 0.82 0.00 -0.01 0.00 0.00 175.02 176.13 3h5u s ALA 140 N -1.19 3.42 0.21 3.03 0.00 -1.26 -1.13 121.76 124.84 3h5u s ALA 140 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3h5u s ALA 140 Cb -0.10 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 3h5u s ALA 140 CO 0.03 -0.46 1.14 0.15 0.00 0.00 0.00 175.76 176.62 3h5u s LYS 141 N 1.67 4.56 -0.45 0.00 1.02 0.19 -4.81 119.74 121.92 3h5u s LYS 141 Ca 0.40 1.80 -0.18 0.00 0.02 0.00 0.00 55.97 58.02 3h5u s LYS 141 Cb -0.17 -3.24 0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3h5u s LYS 141 CO 0.16 0.04 0.48 -0.80 -0.92 0.00 0.00 175.35 174.31 3h5u s ASN 142 N -0.21 6.20 0.12 2.83 0.02 -1.26 -4.10 114.94 118.54 3h5u s ASN 142 Ca 0.49 -0.79 0.08 0.00 -1.02 0.00 0.00 52.86 51.63 3h5u s ASN 142 Cb -0.31 -2.24 -0.04 0.00 0.02 0.00 0.00 41.25 38.68 3h5u s ASN 142 CO 0.37 -0.66 -0.20 -1.61 0.02 0.00 0.00 177.10 175.02 3h5u s GLU 143 N 2.21 1.15 -0.10 -0.60 2.02 -1.26 -4.88 118.70 117.24 3h5u s GLU 143 Ca 0.12 -1.22 -0.13 0.00 0.02 0.00 0.00 54.97 53.77 3h5u s GLU 143 Cb -0.18 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.66 3h5u s GLU 143 CO 0.13 0.30 0.30 0.08 0.02 0.00 0.00 175.26 176.09 3h5u s VAL 144 N -1.41 5.25 0.18 2.63 1.01 -1.26 -0.98 120.40 125.81 3h5u s VAL 144 Ca 0.08 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 3h5u s VAL 144 Cb -0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3h5u s VAL 144 CO 0.05 0.50 0.10 -0.36 0.00 0.00 0.00 175.10 175.38 3h5u s PHE 145 N -0.36 1.08 -0.07 5.22 0.08 -0.04 -4.74 117.98 119.14 3h5u s PHE 145 Ca 0.19 -1.31 -0.09 0.00 0.12 0.00 0.00 56.93 55.85 3h5u s PHE 145 Cb -0.14 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3h5u s PHE 145 CO 0.07 -0.57 0.22 0.00 -0.10 0.00 0.00 175.22 174.84 3h5u s VAL 147 N -1.09 2.08 0.00 0.00 -7.23 0.84 -4.99 120.40 110.01 3h5u s VAL 147 Ca 0.19 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 3h5u s VAL 147 Cb -0.13 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3h5u s VAL 147 CO 0.08 -0.03 0.00 0.00 -0.31 0.00 0.00 175.10 174.84 3h5u n GLN 148 N -3.62 0.00 -0.05 4.82 6.02 -1.26 -5.07 117.38 118.22 3h5u n GLN 148 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.03 3h5u n GLN 148 Cb 0.51 -0.07 -0.05 0.00 1.02 0.00 0.00 30.24 31.65 3h5u n GLN 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h5u n GLY 153 N 1.62 -0.15 3.12 1.08 0.00 -1.26 -5.22 105.19 104.38 3h5u n GLY 153 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3h5u n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h5u s ARG 154 N -2.21 1.71 0.32 1.61 0.52 -1.26 -5.09 118.95 114.55 3h5u s ARG 154 Ca -0.15 -0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 54.32 3h5u s ARG 154 Cb 0.04 -1.49 -0.09 0.00 0.52 0.00 0.00 34.95 33.93 3h5u s ARG 154 CO 0.23 0.22 0.78 -1.59 0.02 0.00 0.00 175.30 174.96 3h5u s LYS 155 N 0.08 4.11 0.66 3.54 -2.85 -1.26 -5.06 119.74 118.95 3h5u s LYS 155 Ca -0.04 0.81 -0.11 0.00 -1.00 0.00 0.00 55.97 55.62 3h5u s LYS 155 Cb -0.11 -2.49 -0.02 0.00 -2.06 0.00 0.00 37.83 33.15 3h5u s LYS 155 CO 0.02 0.18 1.05 -1.25 0.10 0.00 0.00 175.35 175.44 3h5u s PRO 156 N -2.79 3.25 0.49 1.78 0.05 -1.26 -4.85 135.00 131.66 3h5u s PRO 156 Ca 0.53 0.88 -0.23 0.00 0.05 0.00 0.00 61.00 62.23 3h5u s PRO 156 Cb -0.12 -2.03 -0.08 0.00 0.05 0.00 0.00 34.50 32.33 3h5u s PRO 156 CO 0.18 -0.85 1.25 0.00 0.05 0.00 0.00 177.00 177.63 3h5u n ALA 157 N -2.89 1.22 -2.09 8.56 0.00 -1.26 -4.95 120.51 119.11 3h5u n ALA 157 Ca 0.07 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 3h5u n ALA 157 Cb 0.54 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 3h5u n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h5u s ARG 158 N -2.50 3.77 -0.09 0.00 0.52 -1.26 -4.63 118.95 114.77 3h5u s ARG 158 Ca 0.66 0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 56.44 3h5u s ARG 158 Cb -0.47 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 3h5u s ARG 158 CO 0.54 -0.16 -0.02 -0.51 0.02 0.00 0.00 175.30 175.17 3h5u s LEU 159 N -4.12 3.43 -0.06 2.53 1.02 -1.26 0.54 118.68 120.75 3h5u s LEU 159 Ca 0.53 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.77 3h5u s LEU 159 Cb -0.10 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 3h5u s LEU 159 CO 0.35 0.34 -0.13 -0.51 0.02 0.00 0.00 176.35 176.42 3h5u s ILE 160 N -0.67 3.20 -0.11 -0.59 1.10 -0.28 -4.87 121.20 118.97 3h5u s ILE 160 Ca 0.10 -0.67 0.01 0.00 -0.51 0.00 0.00 60.65 59.58 3h5u s ILE 160 Cb -0.12 -2.27 0.02 0.00 0.15 0.00 0.00 42.46 40.24 3h5u s ILE 160 CO 0.02 0.59 -0.12 -0.69 -2.11 0.00 0.00 174.94 172.63 3h5u s VAL 161 N -0.68 1.28 -0.02 4.00 1.01 -1.26 -1.37 120.40 123.35 3h5u s VAL 161 Ca 0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 3h5u s VAL 161 Cb -0.11 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3h5u s VAL 161 CO 0.01 0.40 0.29 0.72 0.00 0.00 0.00 175.10 176.52 3h5u s PHE 162 N 1.27 -0.18 0.78 5.22 -0.71 -0.77 -0.46 117.98 123.13 3h5u s PHE 162 Ca -0.02 0.29 -0.06 0.00 -1.04 0.00 0.00 56.93 56.10 3h5u s PHE 162 Cb -0.14 0.08 0.13 0.00 -1.21 0.00 0.00 43.02 41.88 3h5u s PHE 162 CO -0.05 -0.35 1.08 -1.25 -1.34 0.00 0.00 175.22 173.31 3h5u s PRO 163 N -1.15 1.54 0.80 1.99 0.04 -1.26 -0.93 135.00 136.02 3h5u s PRO 163 Ca -0.12 -0.70 -0.11 0.00 0.04 0.00 0.00 61.00 60.10 3h5u s PRO 163 Cb -0.05 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.40 3h5u s PRO 163 CO 0.03 -1.64 1.13 0.34 0.04 0.00 0.00 177.00 176.90 3h5u s ASP 164 N -4.72 4.02 0.25 6.66 2.15 -1.26 -4.72 116.67 119.06 3h5u s ASP 164 Ca 0.67 2.03 -0.03 0.00 0.43 0.00 0.00 52.55 55.64 3h5u s ASP 164 Cb -0.06 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.51 3h5u s ASP 164 CO 0.47 -2.36 1.72 0.25 -0.17 0.00 0.00 175.17 175.07 3h5u h LEU 165 N -1.14 0.23 -0.60 -1.34 5.85 -1.82 -0.91 115.31 115.58 3h5u h LEU 165 Ca -0.44 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.47 3h5u h LEU 165 Cb 1.25 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3h5u h LEU 165 CO 0.48 0.06 0.28 1.23 -0.34 0.00 0.00 178.44 180.15 3h5u h GLY 166 N 0.40 0.86 1.11 3.75 0.00 -1.95 -1.65 103.07 105.59 3h5u h GLY 166 Ca 0.43 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 3h5u h GLY 166 CO -0.44 0.07 -0.18 -2.08 0.00 0.00 0.00 176.54 173.90 3h5u h VAL 167 N 0.52 1.27 -0.96 4.60 2.07 -1.56 -2.69 116.25 119.49 3h5u h VAL 167 Ca 0.28 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3h5u h VAL 167 Cb 0.26 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3h5u h VAL 167 CO -0.23 0.47 0.63 0.03 0.02 0.00 0.00 177.57 178.50 3h5u h ARG 168 N 0.89 1.23 -0.35 1.57 3.08 -0.79 0.41 114.38 120.42 3h5u h ARG 168 Ca 0.12 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 3h5u h ARG 168 Cb 0.76 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3h5u h ARG 168 CO 0.06 0.81 -0.22 0.28 -1.07 0.00 0.00 179.97 179.84 3h5u h VAL 169 N 1.27 1.27 -0.50 2.04 2.07 -1.12 -2.88 116.25 118.40 3h5u h VAL 169 Ca 0.36 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3h5u h VAL 169 Cb -0.10 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3h5u h VAL 169 CO -0.09 0.43 0.08 0.00 0.02 0.00 0.00 177.57 178.01 3h5u h GLU 171 N 0.70 0.24 -0.12 0.00 5.08 -0.86 -1.75 114.58 117.87 3h5u h GLU 171 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3h5u h GLU 171 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3h5u h GLU 171 CO 0.01 0.16 0.05 0.87 -1.00 0.00 0.00 179.01 179.10 3h5u h LYS 172 N 0.24 0.18 -0.37 2.33 1.57 -1.23 0.84 116.57 120.14 3h5u h LYS 172 Ca 0.43 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.25 3h5u h LYS 172 Cb 0.76 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 3h5u h LYS 172 CO -0.54 0.27 -0.04 0.52 -0.57 0.00 0.00 179.45 179.08 3h5u h MET 173 N 0.05 0.05 -0.28 3.15 2.86 -0.89 -1.38 114.93 118.49 3h5u h MET 173 Ca 0.04 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 3h5u h MET 173 Cb 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3h5u h MET 173 CO -0.00 0.03 -0.51 0.00 1.06 0.00 0.00 176.91 177.49 3h5u h ALA 174 N 1.35 0.44 0.00 6.32 0.00 -1.15 -1.64 119.26 124.58 3h5u h ALA 174 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3h5u h ALA 174 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h5u h ALA 174 CO -0.34 0.63 0.00 1.28 0.00 0.00 0.00 179.25 180.82 3h5u n LEU 175 N -4.06 0.21 -0.01 0.00 4.77 0.27 -4.79 117.00 113.40 3h5u n LEU 175 Ca -0.04 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.44 3h5u n LEU 175 Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3h5u n LEU 175 CO 0.49 0.05 0.87 0.22 -1.33 0.00 0.00 177.39 177.70 3h5u h TYR 176 N 0.00 0.13 -1.00 -1.77 3.20 -1.35 0.03 116.97 116.22 3h5u h TYR 176 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3h5u h TYR 176 Cb 0.08 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 3h5u h TYR 176 CO 0.00 0.16 0.65 0.22 -1.64 0.00 0.00 178.16 177.54 3h5u h ASP 177 N 0.07 1.16 0.26 -2.11 3.58 -1.80 -1.90 116.42 115.68 3h5u h ASP 177 Ca 0.03 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3h5u h ASP 177 Cb 0.06 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 40.83 3h5u h ASP 177 CO -0.01 0.85 -0.12 0.58 -2.88 0.00 0.00 179.24 177.66 3h5u h VAL 178 N 1.36 0.79 0.00 2.25 2.07 -1.74 -1.38 116.25 119.60 3h5u h VAL 178 Ca 0.36 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3h5u h VAL 178 Cb -0.14 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3h5u h VAL 178 CO -0.08 0.09 0.00 -0.37 0.02 0.00 0.00 177.57 177.24 3h5u h VAL 179 N -0.58 0.00 0.00 2.57 -1.51 -0.90 0.16 116.25 115.99 3h5u h VAL 179 Ca -0.04 -0.27 -0.24 0.00 -1.23 0.00 0.00 66.70 64.93 3h5u h VAL 179 Cb 0.42 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.64 3h5u h VAL 179 CO 0.06 0.00 -1.54 0.28 -1.23 0.00 0.00 177.57 175.14 3h5u h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.21 -3.43 113.55 113.12 3h5u h SER 180 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3h5u h SER 180 Cb 0.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3h5u h SER 180 CO 0.00 0.82 -1.57 0.41 -1.14 0.00 0.00 176.83 175.35 3h5u n THR 181 N -2.99 0.57 -0.06 -2.27 -1.04 -0.53 -4.63 114.28 103.32 3h5u n THR 181 Ca -0.13 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.05 61.50 3h5u n THR 181 Cb 0.96 -0.84 -0.05 0.00 -1.82 0.00 0.00 70.33 68.58 3h5u n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h5u h LEU 182 N 0.00 0.32 -1.12 -4.42 6.46 -0.89 -3.26 115.31 112.40 3h5u h LEU 182 Ca -0.22 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.26 3h5u h LEU 182 Cb 1.40 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 3h5u h LEU 182 CO -0.02 0.53 0.58 -0.65 -0.62 0.00 0.00 178.44 178.26 3h5u h PRO 183 N 0.11 1.17 -0.05 5.25 0.11 -1.82 -0.42 132.00 136.35 3h5u h PRO 183 Ca 0.06 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.94 3h5u h PRO 183 Cb 0.35 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3h5u h PRO 183 CO 0.01 0.78 -0.64 0.37 -0.21 0.00 0.00 178.00 178.30 3h5u h GLN 184 N 1.20 0.20 -0.10 1.05 -0.00 -1.87 -0.61 115.11 114.98 3h5u h GLN 184 Ca 0.32 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 3h5u h GLN 184 Cb -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.37 3h5u h GLN 184 CO -0.07 0.77 0.02 0.28 0.00 0.00 0.00 178.83 179.84 3h5u h VAL 185 N 0.15 1.20 -0.47 2.39 2.07 -1.47 0.93 116.25 121.05 3h5u h VAL 185 Ca -0.01 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3h5u h VAL 185 Cb 1.15 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3h5u h VAL 185 CO 0.10 0.18 -0.04 0.58 0.02 0.00 0.00 177.57 178.40 3h5u h VAL 186 N -0.05 1.27 0.00 2.57 2.07 -1.03 -3.35 116.25 117.73 3h5u h VAL 186 Ca 0.03 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3h5u h VAL 186 Cb 0.26 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3h5u h VAL 186 CO 0.00 0.39 -0.89 0.23 0.02 0.00 0.00 177.57 177.32 3h5u n MET 187 N -4.31 2.22 0.00 1.57 2.81 -0.24 -4.92 117.12 114.25 3h5u n MET 187 Ca 0.00 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3h5u n MET 187 Cb 0.34 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 3h5u n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h5u n GLY 188 N 1.47 3.47 0.09 3.03 0.00 0.32 -2.27 105.19 111.31 3h5u n GLY 188 Ca 0.01 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.03 3h5u n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h5u n SER 189 N 4.41 0.46 0.13 1.61 3.41 -1.26 -1.81 113.62 120.56 3h5u n SER 189 Ca 0.00 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3h5u n SER 189 Cb 0.00 -0.71 0.41 0.00 -0.26 0.00 0.00 64.21 63.65 3h5u n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h5u h SER 190 N 0.00 0.00 -3.17 4.04 0.02 -1.64 -3.43 113.55 109.37 3h5u h SER 190 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3h5u h SER 190 Cb 0.31 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 3h5u h SER 190 CO 0.00 0.00 1.06 -0.47 -1.14 0.00 0.00 176.83 176.28 3h5u s TYR 191 N -3.19 2.42 0.28 3.45 5.04 -0.75 -1.31 117.35 123.28 3h5u s TYR 191 Ca 0.08 0.59 0.13 0.00 -2.44 0.00 0.00 57.07 55.44 3h5u s TYR 191 Cb 0.11 -4.37 0.51 0.00 0.35 0.00 0.00 41.96 38.56 3h5u s TYR 191 CO 0.56 -1.86 1.69 0.78 -1.34 0.00 0.00 175.55 175.37 3h5u h GLY 192 N 12.41 0.00 1.45 8.97 0.00 -1.47 -3.23 103.07 121.20 3h5u h GLY 192 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3h5u h GLY 192 CO 1.13 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.36 3h5u n PHE 193 N -3.81 0.00 0.91 5.60 3.72 -1.26 -2.06 117.46 120.56 3h5u n PHE 193 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 3h5u n PHE 193 Cb 0.54 -0.22 0.57 0.00 -0.94 0.00 0.00 39.48 39.43 3h5u n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5u n GLN 194 N -1.22 0.06 -3.98 -1.08 10.64 -1.22 -3.75 117.38 116.83 3h5u n GLN 194 Ca 0.11 0.05 -0.35 0.00 -1.83 0.00 0.00 57.00 54.98 3h5u n GLN 194 Cb 0.15 -1.57 -0.08 0.00 -0.86 0.00 0.00 30.24 27.87 3h5u n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3h5u s TYR 195 N -3.02 3.35 0.99 2.61 2.02 -0.88 -4.71 117.35 117.71 3h5u s TYR 195 Ca 0.13 0.25 -0.11 0.00 -0.37 0.00 0.00 57.07 56.97 3h5u s TYR 195 Cb 0.17 -2.01 0.18 0.00 -0.40 0.00 0.00 41.96 39.90 3h5u s TYR 195 CO 0.54 0.37 1.09 -1.54 -1.57 0.00 0.00 175.55 174.45 3h5u s SER 196 N -0.17 2.48 0.33 2.29 1.04 -1.26 -4.70 113.70 113.70 3h5u s SER 196 Ca 0.08 1.75 0.01 0.00 0.48 0.00 0.00 55.95 58.28 3h5u s SER 196 Cb -0.12 -2.37 0.57 0.00 0.10 0.00 0.00 66.02 64.20 3h5u s SER 196 CO 0.01 -3.30 1.98 -0.65 0.98 0.00 0.00 173.24 172.26 3h5u h PRO 197 N -2.01 0.93 -0.11 4.02 0.11 -1.92 0.35 132.00 133.38 3h5u h PRO 197 Ca -0.51 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 3h5u h PRO 197 Cb 1.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3h5u h PRO 197 CO 0.48 0.62 0.06 0.78 -0.21 0.00 0.00 178.00 179.74 3h5u h GLY 198 N 0.96 0.16 0.91 -0.55 0.00 -1.76 -0.07 103.07 102.72 3h5u h GLY 198 Ca 0.28 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.56 3h5u h GLY 198 CO -0.07 0.07 0.48 1.46 0.00 0.00 0.00 176.54 178.48 3h5u h GLN 199 N 0.10 0.91 -0.52 4.80 4.20 -1.70 -2.14 115.11 120.76 3h5u h GLN 199 Ca 0.04 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3h5u h GLN 199 Cb 0.05 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3h5u h GLN 199 CO -0.01 0.61 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.57 3h5u h ARG 200 N 0.94 0.96 -0.28 1.46 2.43 0.03 -0.98 114.38 118.94 3h5u h ARG 200 Ca 0.29 -0.34 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 3h5u h ARG 200 Cb -0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3h5u h ARG 200 CO -0.10 1.00 -0.35 -0.24 -1.51 0.00 0.00 179.97 178.77 3h5u h VAL 201 N 0.86 1.29 -0.21 0.20 3.04 -0.89 -1.84 116.25 118.70 3h5u h VAL 201 Ca 0.14 -1.50 -0.01 0.00 -1.01 0.00 0.00 66.70 64.32 3h5u h VAL 201 Cb 0.64 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 3h5u h VAL 201 CO 0.04 0.48 0.08 -0.08 -1.01 0.00 0.00 177.57 177.08 3h5u h GLU 202 N 0.53 0.32 -0.82 4.17 4.81 -1.15 -0.49 114.58 121.95 3h5u h GLU 202 Ca 0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3h5u h GLU 202 Cb 0.86 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 3h5u h GLU 202 CO 0.07 0.38 0.53 0.35 -0.73 0.00 0.00 179.01 179.62 3h5u h PHE 203 N 0.18 1.01 -0.45 0.92 3.57 -1.07 0.22 116.94 121.33 3h5u h PHE 203 Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 3h5u h PHE 203 Cb 0.18 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3h5u h PHE 203 CO -0.01 0.62 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.55 3h5u h LEU 204 N 1.07 0.83 -0.08 0.59 3.38 -1.12 -0.64 115.31 119.35 3h5u h LEU 204 Ca 0.31 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3h5u h LEU 204 Cb -0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3h5u h LEU 204 CO -0.08 0.98 -0.13 0.58 0.09 0.00 0.00 178.44 179.88 3h5u h VAL 205 N 0.67 1.39 -0.50 1.22 2.07 -0.77 -2.06 116.25 118.27 3h5u h VAL 205 Ca 0.12 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.32 3h5u h VAL 205 Cb 0.59 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 3h5u h VAL 205 CO 0.04 0.39 0.22 0.78 0.02 0.00 0.00 177.57 179.01 3h5u h ASN 206 N -0.22 0.29 -0.70 0.57 2.35 -0.59 0.23 115.58 117.50 3h5u h ASN 206 Ca 0.01 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3h5u h ASN 206 Cb 0.69 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3h5u h ASN 206 CO 0.03 0.20 0.44 0.74 -1.65 0.00 0.00 177.43 177.19 3h5u h THR 207 N 0.43 1.19 -0.05 2.81 2.02 -1.13 -1.02 112.91 117.16 3h5u h THR 207 Ca 0.23 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3h5u h THR 207 Cb 0.19 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3h5u h THR 207 CO -0.19 0.20 0.02 -0.25 0.37 0.00 0.00 175.52 175.66 3h5u h TRP 208 N 0.96 0.08 0.00 3.16 2.91 -0.90 -2.51 115.95 119.66 3h5u h TRP 208 Ca 0.25 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.27 3h5u h TRP 208 Cb -0.06 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 3h5u h TRP 208 CO -0.02 0.21 0.00 0.87 -1.03 0.00 0.00 178.44 178.48 3h5u h LYS 209 N -0.07 0.00 -0.00 2.65 1.57 -0.78 -2.86 116.57 117.08 3h5u h LYS 209 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3h5u h LYS 209 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3h5u h LYS 209 CO -0.00 0.00 -0.10 -1.13 -0.57 0.00 0.00 179.45 177.65 3h5u n SER 210 N -2.82 0.13 -4.88 0.86 3.41 -0.40 -4.80 113.62 105.11 3h5u n SER 210 Ca -0.01 0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.45 3h5u n SER 210 Cb 0.15 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 3h5u n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h5u s LYS 211 N -2.91 3.39 0.06 4.33 -0.14 -1.08 -5.03 119.74 118.35 3h5u s LYS 211 Ca 0.16 -0.27 -0.28 0.00 -1.36 0.00 0.00 55.97 54.23 3h5u s LYS 211 Cb 0.19 -3.10 -0.17 0.00 -1.68 0.00 0.00 37.83 33.07 3h5u s LYS 211 CO 0.55 0.71 1.55 0.87 -0.76 0.00 0.00 175.35 178.27 3h5u h LYS 212 N 4.33 -0.47 -3.13 1.68 1.57 -1.88 -3.38 116.57 115.29 3h5u h LYS 212 Ca -0.51 0.03 -0.62 0.00 -1.87 0.00 0.00 60.65 57.68 3h5u h LYS 212 Cb 1.20 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.22 3h5u h LYS 212 CO 0.64 -0.25 -0.70 -0.80 -0.57 0.00 0.00 179.45 177.76 3h5u s ASN 213 N -4.84 3.88 0.33 0.86 0.01 -1.26 -5.07 114.94 108.85 3h5u s ASN 213 Ca -0.15 -2.74 -0.29 0.00 -0.71 0.00 0.00 52.86 48.97 3h5u s ASN 213 Cb 0.04 -1.24 -0.10 0.00 0.41 0.00 0.00 41.25 40.36 3h5u s ASN 213 CO 0.61 -0.26 1.31 -2.16 -1.51 0.00 0.00 177.10 175.10 3h5u s PRO 214 N 0.16 4.35 0.07 -0.60 0.04 -1.26 0.68 135.00 138.43 3h5u s PRO 214 Ca 0.17 2.22 0.06 0.00 0.04 0.00 0.00 61.00 63.49 3h5u s PRO 214 Cb -0.25 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3h5u s PRO 214 CO 0.00 -0.20 -0.16 1.41 0.04 0.00 0.00 177.00 178.09 3h5u s MET 215 N -1.71 0.98 0.04 4.56 1.75 -0.25 -4.69 119.30 119.98 3h5u s MET 215 Ca 0.49 -0.94 -0.07 0.00 -1.25 0.00 0.00 55.69 53.92 3h5u s MET 215 Cb -0.40 -1.06 -0.00 0.00 2.84 0.00 0.00 34.83 36.21 3h5u s MET 215 CO 0.52 0.25 0.15 0.20 -0.65 0.00 0.00 175.02 175.49 3h5u s GLY 216 N -1.54 0.11 -0.03 2.11 0.00 -0.21 -0.20 107.32 107.56 3h5u s GLY 216 Ca 0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 3h5u s GLY 216 CO 0.02 -0.60 0.64 -0.11 0.00 0.00 0.00 173.10 173.05 3h5u s PHE 217 N -2.72 -0.60 0.15 1.90 -0.71 0.45 -0.01 117.98 116.44 3h5u s PHE 217 Ca -0.04 0.98 0.05 0.00 -1.04 0.00 0.00 56.93 56.88 3h5u s PHE 217 Cb -0.00 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3h5u s PHE 217 CO -0.05 -0.61 0.13 -1.54 -1.34 0.00 0.00 175.22 171.81 3h5u s SER 218 N -1.33 5.55 -0.16 1.98 1.04 -1.26 -0.10 113.70 119.42 3h5u s SER 218 Ca -0.10 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3h5u s SER 218 Cb -0.01 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.68 3h5u s SER 218 CO 0.08 0.09 -0.13 -0.47 0.98 0.00 0.00 173.24 173.79 3h5u s TYR 219 N -1.69 2.18 -0.36 5.02 5.04 -0.61 -4.53 117.35 122.40 3h5u s TYR 219 Ca 0.31 -1.28 -0.12 0.00 -2.44 0.00 0.00 57.07 53.54 3h5u s TYR 219 Cb -0.10 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.63 3h5u s TYR 219 CO 0.23 -0.68 0.22 0.34 -1.34 0.00 0.00 175.55 174.33 3h5u s ASP 220 N 1.48 5.85 -0.08 4.32 2.15 -1.26 -4.16 116.67 124.97 3h5u s ASP 220 Ca 0.03 -0.71 -0.25 0.00 0.43 0.00 0.00 52.55 52.06 3h5u s ASP 220 Cb -0.14 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 3h5u s ASP 220 CO -0.10 -0.31 0.77 -0.89 -0.17 0.00 0.00 175.17 174.47 3h5u s THR 221 N 1.64 4.98 -0.19 1.71 2.01 -1.26 -0.60 115.64 123.94 3h5u s THR 221 Ca 0.04 1.58 -0.29 0.00 0.31 0.00 0.00 61.69 63.33 3h5u s THR 221 Cb -0.18 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 3h5u s THR 221 CO 0.08 0.19 1.50 -0.60 -0.69 0.00 0.00 174.62 175.10 3h5u s ARG 222 N 1.13 3.99 -0.91 4.92 3.00 -0.91 -3.70 118.95 126.47 3h5u s ARG 222 Ca 0.40 1.70 -0.08 0.00 -1.00 0.00 0.00 55.73 56.75 3h5u s ARG 222 Cb -0.18 -3.94 -0.00 0.00 0.00 0.00 0.00 34.95 30.82 3h5u s ARG 222 CO 0.18 -1.05 0.71 0.00 0.00 0.00 0.00 175.30 175.14 3h5u h PHE 224 N -0.64 0.76 -0.49 0.00 3.04 -1.96 -2.06 116.94 115.58 3h5u h PHE 224 Ca -0.45 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.58 3h5u h PHE 224 Cb 1.26 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.50 3h5u h PHE 224 CO 0.26 0.40 0.33 -0.44 -2.02 0.00 0.00 178.31 176.83 3h5u h ASP 225 N 0.77 0.41 1.68 0.41 5.19 -1.92 -0.52 116.42 122.44 3h5u h ASP 225 Ca 0.29 -0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 3h5u h ASP 225 Cb 0.11 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3h5u h ASP 225 CO -0.15 0.27 -0.33 0.28 -3.12 0.00 0.00 179.24 176.20 3h5u h SER 226 N 0.47 0.00 1.16 6.45 0.02 -1.69 -2.70 113.55 117.27 3h5u h SER 226 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3h5u h SER 226 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3h5u h SER 226 CO -0.05 0.29 0.00 0.71 -1.14 0.00 0.00 176.83 176.64 3h5u h THR 227 N 0.00 0.00 -3.05 -2.27 1.35 -0.68 -3.45 112.91 104.81 3h5u h THR 227 Ca -0.01 -0.42 -0.56 0.00 -0.55 0.00 0.00 66.41 64.87 3h5u h THR 227 Cb 1.23 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 3h5u h THR 227 CO 0.04 0.00 0.75 -0.69 -0.25 0.00 0.00 175.52 175.37 3h5u s VAL 228 N -3.26 4.33 0.40 6.82 1.01 -1.10 -4.78 120.40 123.82 3h5u s VAL 228 Ca 0.07 1.64 0.07 0.00 0.00 0.00 0.00 61.98 63.76 3h5u s VAL 228 Cb 0.10 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3h5u s VAL 228 CO 0.51 -0.05 0.55 0.42 0.00 0.00 0.00 175.10 176.53 3h5u s THR 229 N 2.60 3.31 0.24 3.92 -4.23 -1.26 -4.05 115.64 116.16 3h5u s THR 229 Ca 0.54 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 3h5u s THR 229 Cb -0.23 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.70 3h5u s THR 229 CO 0.19 -0.05 1.85 -0.08 -0.54 0.00 0.00 174.62 175.99 3h5u h GLU 230 N 0.69 0.94 -0.05 3.99 4.81 -1.88 -1.76 114.58 121.33 3h5u h GLU 230 Ca -0.42 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 3h5u h GLU 230 Cb 1.27 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 3h5u h GLU 230 CO 0.47 0.62 -0.35 -0.97 -0.73 0.00 0.00 179.01 178.06 3h5u h ASN 231 N 0.97 -1.06 -0.87 1.04 -1.24 -1.97 -0.69 115.58 111.76 3h5u h ASN 231 Ca 0.36 0.14 0.19 0.00 0.71 0.00 0.00 56.30 57.70 3h5u h ASN 231 Cb 0.13 0.43 -0.11 0.00 0.73 0.00 0.00 38.32 39.50 3h5u h ASN 231 CO -0.16 -0.40 0.39 0.44 -1.29 0.00 0.00 177.43 176.42 3h5u h ASP 232 N -0.47 0.37 0.35 1.15 3.32 -1.80 0.27 116.42 119.61 3h5u h ASP 232 Ca 0.07 0.13 -0.21 0.00 0.02 0.00 0.00 57.03 57.04 3h5u h ASP 232 Cb 0.58 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3h5u h ASP 232 CO -0.32 0.07 -0.88 0.40 -1.72 0.00 0.00 179.24 176.80 3h5u h ILE 233 N 0.46 1.41 -0.25 0.35 2.04 -0.70 -1.38 117.51 119.44 3h5u h ILE 233 Ca 0.52 -2.39 -0.15 0.00 1.00 0.00 0.00 64.86 63.83 3h5u h ILE 233 Cb 0.90 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 3h5u h ILE 233 CO -0.47 0.71 -0.46 0.03 0.00 0.00 0.00 178.15 177.96 3h5u h ARG 234 N 0.23 0.65 -0.36 2.37 3.08 -0.60 -1.81 114.38 117.93 3h5u h ARG 234 Ca -0.06 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.64 3h5u h ARG 234 Cb 1.49 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 3h5u h ARG 234 CO 0.15 0.97 0.22 0.28 -1.07 0.00 0.00 179.97 180.52 3h5u h VAL 235 N 0.52 1.05 -0.42 2.04 2.07 -0.26 -0.70 116.25 120.54 3h5u h VAL 235 Ca 0.03 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3h5u h VAL 235 Cb 1.00 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3h5u h VAL 235 CO 0.09 0.08 0.13 -0.33 0.02 0.00 0.00 177.57 177.57 3h5u h GLU 236 N 0.44 0.28 -0.91 1.57 5.08 -1.21 -1.18 114.58 118.67 3h5u h GLU 236 Ca 0.14 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3h5u h GLU 236 Cb -0.01 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 3h5u h GLU 236 CO -0.05 0.19 0.56 1.49 -1.00 0.00 0.00 179.01 180.19 3h5u h GLU 237 N 0.29 0.93 -0.03 2.33 4.22 -0.89 -0.91 114.58 120.52 3h5u h GLU 237 Ca 0.20 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.51 3h5u h GLU 237 Cb 0.20 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3h5u h GLU 237 CO -0.21 0.61 -0.33 0.66 -2.18 0.00 0.00 179.01 177.56 3h5u h SER 238 N 0.96 0.05 -0.03 1.04 4.64 -0.02 -0.25 113.55 119.94 3h5u h SER 238 Ca 0.42 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 3h5u h SER 238 Cb 0.30 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3h5u h SER 238 CO -0.22 0.38 -0.02 0.40 -0.87 0.00 0.00 176.83 176.50 3h5u h ILE 239 N 0.05 1.36 -0.76 0.95 2.04 -0.27 -2.69 117.51 118.18 3h5u h ILE 239 Ca 0.00 -1.10 0.14 0.00 1.00 0.00 0.00 64.86 64.90 3h5u h ILE 239 Cb 0.60 2.04 -0.09 0.00 -0.74 0.00 0.00 36.82 38.63 3h5u h ILE 239 CO 0.04 0.30 0.32 1.88 0.00 0.00 0.00 178.15 180.69 3h5u h TYR 240 N -0.36 0.56 0.00 1.37 0.05 -0.85 -0.88 116.97 116.85 3h5u h TYR 240 Ca 0.01 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3h5u h TYR 240 Cb 0.49 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3h5u h TYR 240 CO 0.08 0.09 0.00 1.96 -1.05 0.00 0.00 178.16 179.24 3h5u h GLN 241 N 0.48 0.00 -0.11 4.88 1.08 -1.01 -1.86 115.11 118.58 3h5u h GLN 241 Ca 0.41 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.65 3h5u h GLN 241 Cb 0.61 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3h5u h GLN 241 CO -0.39 0.00 0.09 0.00 -0.95 0.00 0.00 178.83 177.58 3h5u s ASP 244 N -2.05 6.20 0.16 0.00 2.15 -0.01 -4.96 116.67 118.15 3h5u s ASP 244 Ca 0.74 0.07 0.08 0.00 0.43 0.00 0.00 52.55 53.87 3h5u s ASP 244 Cb -0.30 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.73 3h5u s ASP 244 CO 0.47 -1.70 -0.18 -0.76 -0.17 0.00 0.00 175.17 172.84 3h5u s LEU 245 N 5.78 2.43 0.45 -1.34 1.43 -1.26 -1.61 118.68 124.56 3h5u s LEU 245 Ca 0.46 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 3h5u s LEU 245 Cb -0.09 -0.78 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 3h5u s LEU 245 CO 0.23 -0.05 1.28 0.00 0.23 0.00 0.00 176.35 178.04 3h5u s ALA 246 N -2.05 3.10 0.27 4.21 0.00 -1.26 -4.85 121.76 121.17 3h5u s ALA 246 Ca 0.14 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 3h5u s ALA 246 Cb -0.06 -3.48 0.60 0.00 0.00 0.00 0.00 23.12 20.18 3h5u s ALA 246 CO 0.06 -0.91 1.65 -1.35 0.00 0.00 0.00 175.76 175.21 3h5u h PRO 247 N 2.26 0.18 -0.97 0.00 0.11 -2.00 -1.01 132.00 130.57 3h5u h PRO 247 Ca -0.50 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.68 3h5u h PRO 247 Cb 1.26 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3h5u h PRO 247 CO 0.61 0.12 0.61 1.49 -0.21 0.00 0.00 178.00 180.62 3h5u h GLU 248 N 0.18 1.06 -0.42 1.05 4.81 -2.00 -2.23 114.58 117.03 3h5u h GLU 248 Ca 0.49 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3h5u h GLU 248 Cb 0.94 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3h5u h GLU 248 CO -0.65 0.70 -0.23 0.00 -0.73 0.00 0.00 179.01 178.11 3h5u h ALA 249 N 1.46 0.80 -0.72 2.92 0.00 -1.58 -2.20 119.26 119.94 3h5u h ALA 249 Ca 0.43 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3h5u h ALA 249 Cb 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3h5u h ALA 249 CO -0.19 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.13 3h5u h ARG 250 N 0.74 0.76 -0.07 0.00 3.08 -0.78 -2.00 114.38 116.10 3h5u h ARG 250 Ca 0.10 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3h5u h ARG 250 Cb 0.77 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3h5u h ARG 250 CO 0.06 0.50 -0.06 0.37 -1.07 0.00 0.00 179.97 179.78 3h5u h GLN 251 N 0.78 0.17 -1.00 0.04 5.75 -1.33 -1.55 115.11 117.97 3h5u h GLN 251 Ca 0.31 -0.08 0.13 0.00 -0.15 0.00 0.00 58.65 58.85 3h5u h GLN 251 Cb 0.15 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.62 3h5u h GLN 251 CO -0.17 0.58 0.63 0.00 -2.65 0.00 0.00 178.83 177.23 3h5u h ALA 252 N 0.58 1.54 -0.05 3.38 0.00 -1.32 0.44 119.26 123.84 3h5u h ALA 252 Ca 0.01 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3h5u h ALA 252 Cb 0.54 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h5u h ALA 252 CO 0.02 0.20 -0.84 0.82 0.00 0.00 0.00 179.25 179.45 3h5u h ILE 253 N 0.97 1.31 -0.49 0.00 2.04 -1.29 -0.20 117.51 119.85 3h5u h ILE 253 Ca 0.50 -2.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 3h5u h ILE 253 Cb 0.52 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 3h5u h ILE 253 CO -0.27 0.64 0.29 0.50 0.00 0.00 0.00 178.15 179.32 3h5u h LYS 254 N 0.31 0.67 -0.23 2.37 3.64 -0.93 -1.22 116.57 121.19 3h5u h LYS 254 Ca -0.09 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3h5u h LYS 254 Cb 1.49 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3h5u h LYS 254 CO 0.17 0.49 0.11 1.03 -2.27 0.00 0.00 179.45 178.98 3h5u h SER 255 N 0.65 0.30 -0.65 4.20 0.87 -0.83 -1.08 113.55 117.01 3h5u h SER 255 Ca 0.18 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3h5u h SER 255 Cb -0.00 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3h5u h SER 255 CO -0.03 0.33 0.30 -0.07 -0.53 0.00 0.00 176.83 176.83 3h5u h LEU 256 N 0.24 0.89 -0.08 2.23 3.38 -1.01 0.12 115.31 121.07 3h5u h LEU 256 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h5u h LEU 256 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h5u h LEU 256 CO -0.01 0.77 0.04 0.74 0.09 0.00 0.00 178.44 180.07 3h5u h THR 257 N 0.96 1.12 -0.31 0.22 2.02 -0.97 0.22 112.91 116.17 3h5u h THR 257 Ca 0.23 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 3h5u h THR 257 Cb 0.14 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3h5u h THR 257 CO -0.03 0.10 -0.22 -0.33 0.37 0.00 0.00 175.52 175.41 3h5u h GLU 258 N -0.00 0.69 0.02 6.66 4.39 -0.79 -1.29 114.58 124.26 3h5u h GLU 258 Ca 0.03 -0.33 -0.30 0.00 0.34 0.00 0.00 59.36 59.10 3h5u h GLU 258 Cb 0.13 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3h5u h GLU 258 CO -0.00 0.94 -1.70 0.00 -1.16 0.00 0.00 179.01 177.08 3h5u h ARG 259 N 0.44 0.04 0.00 2.33 3.08 -0.82 -3.42 114.38 116.03 3h5u h ARG 259 Ca 0.06 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3h5u h ARG 259 Cb 0.77 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3h5u h ARG 259 CO 0.06 0.63 -0.45 -0.11 -1.07 0.00 0.00 179.97 179.03 3h5u n LEU 260 N -3.13 0.95 -0.03 3.04 7.94 0.50 -0.87 117.00 125.40 3h5u n LEU 260 Ca -0.18 0.13 -0.08 0.00 -1.11 0.00 0.00 56.01 54.77 3h5u n LEU 260 Cb 1.05 -0.31 0.08 0.00 0.53 0.00 0.00 43.42 44.76 3h5u n LEU 260 CO 0.45 -0.47 0.60 1.88 -1.11 0.00 0.00 177.39 178.74 3h5u h TYR 261 N -0.14 0.77 -0.01 1.96 0.05 -0.81 -2.60 116.97 116.20 3h5u h TYR 261 Ca -0.03 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.44 3h5u h TYR 261 Cb 0.41 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3h5u h TYR 261 CO -0.05 0.94 -0.41 0.82 -1.05 0.00 0.00 178.16 178.41 3h5u h ILE 262 N 0.54 1.29 0.00 -2.88 2.04 -1.47 -3.42 117.51 113.61 3h5u h ILE 262 Ca 0.05 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3h5u h ILE 262 Cb 0.90 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3h5u h ILE 262 CO 0.08 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.24 3h5u n GLY 263 N -0.36 -0.60 0.00 5.37 0.00 -0.98 -3.94 105.19 104.68 3h5u n GLY 263 Ca -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3h5u n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5u n GLY 264 N -1.12 1.21 3.81 -0.02 0.00 -0.48 -4.19 105.19 104.41 3h5u n GLY 264 Ca 0.00 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3h5u n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5u s PRO 265 N -2.00 3.79 -0.19 1.61 0.04 -1.26 -1.19 135.00 135.80 3h5u s PRO 265 Ca 0.00 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 3h5u s PRO 265 Cb 0.00 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3h5u s PRO 265 CO 0.00 -0.42 -0.05 -0.51 0.04 0.00 0.00 177.00 176.06 3h5u s LEU 266 N -3.74 2.96 -0.10 -3.56 1.43 0.19 -2.57 118.68 113.29 3h5u s LEU 266 Ca 0.64 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3h5u s LEU 266 Cb -0.14 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3h5u s LEU 266 CO 0.24 0.05 -0.22 -0.89 0.23 0.00 0.00 176.35 175.77 3h5u s THR 267 N 1.04 2.26 1.00 5.49 2.01 0.71 -0.73 115.64 127.42 3h5u s THR 267 Ca 0.01 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 3h5u s THR 267 Cb -0.15 -1.88 0.20 0.00 0.01 0.00 0.00 72.50 70.69 3h5u s THR 267 CO 0.00 0.55 1.24 0.54 -0.69 0.00 0.00 174.62 176.27 3h5u s ASN 268 N 0.31 2.79 0.51 3.53 2.20 -0.08 -1.39 114.94 122.80 3h5u s ASN 268 Ca -0.17 0.47 0.19 0.00 -0.94 0.00 0.00 52.86 52.42 3h5u s ASN 268 Cb -0.17 -0.66 1.28 0.00 -2.00 0.00 0.00 41.25 39.69 3h5u s ASN 268 CO 0.08 -2.95 2.06 0.77 -2.94 0.00 0.00 177.10 174.11 3h5u h SER 269 N -1.79 0.07 -0.01 3.54 4.64 -1.77 -1.78 113.55 116.45 3h5u h SER 269 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3h5u h SER 269 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3h5u h SER 269 CO 0.42 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 3h5u n LYS 270 N -4.46 1.53 -0.15 4.77 5.02 -1.26 -4.91 118.16 118.70 3h5u n LYS 270 Ca 0.05 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 3h5u n LYS 270 Cb 0.36 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3h5u n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h5u n GLY 271 N 1.14 0.72 3.86 0.72 0.00 -0.67 -5.07 105.19 105.89 3h5u n GLY 271 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3h5u n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h5u s GLN 272 N -0.85 3.87 -0.27 1.61 -0.21 -1.26 -4.79 119.66 117.76 3h5u s GLN 272 Ca 0.00 0.51 -0.27 0.00 0.02 0.00 0.00 55.36 55.62 3h5u s GLN 272 Cb 0.00 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.57 3h5u s GLN 272 CO 0.00 0.09 0.97 1.21 -2.12 0.00 0.00 175.29 175.44 3h5u s ASN 273 N -2.70 6.93 0.01 5.90 3.04 -1.26 -0.90 114.94 125.96 3h5u s ASN 273 Ca 0.52 1.11 0.22 0.00 0.04 0.00 0.00 52.86 54.75 3h5u s ASN 273 Cb -0.10 -2.50 -0.28 0.00 -1.54 0.00 0.00 41.25 36.83 3h5u s ASN 273 CO 0.24 -0.69 0.57 0.00 -3.04 0.00 0.00 177.10 174.18 3h5u n GLY 275 N 1.26 -0.08 3.14 0.00 0.00 -1.20 -1.25 105.19 107.06 3h5u n GLY 275 Ca -0.04 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 3h5u n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h5u s TYR 276 N -4.00 -0.39 -0.11 1.61 5.04 -0.09 -0.63 117.35 118.78 3h5u s TYR 276 Ca 0.00 0.90 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 3h5u s TYR 276 Cb 0.00 0.12 -0.04 0.00 0.35 0.00 0.00 41.96 42.39 3h5u s TYR 276 CO 0.00 -0.23 0.07 0.50 -1.34 0.00 0.00 175.55 174.54 3h5u s ARG 277 N 0.92 3.27 -0.18 4.97 3.52 -0.33 -1.05 118.95 130.06 3h5u s ARG 277 Ca -0.06 -0.28 0.16 0.00 -0.13 0.00 0.00 55.73 55.42 3h5u s ARG 277 Cb -0.07 -3.00 0.45 0.00 -1.56 0.00 0.00 34.95 30.77 3h5u s ARG 277 CO -0.06 0.70 1.18 0.54 -0.81 0.00 0.00 175.30 176.84 3h5u n ARG 278 N 2.19 1.68 -3.48 5.12 1.74 -0.47 -1.38 116.66 122.06 3h5u n ARG 278 Ca -0.19 -3.21 -0.13 0.00 -0.77 0.00 0.00 57.85 53.55 3h5u n ARG 278 Cb 0.54 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.58 3h5u n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h5u s ARG 280 N -2.84 4.13 0.22 0.00 6.06 -1.02 -4.57 118.95 120.93 3h5u s ARG 280 Ca 0.26 2.57 -0.29 0.00 -2.50 0.00 0.00 55.73 55.77 3h5u s ARG 280 Cb 0.01 -3.05 -0.09 0.00 0.06 0.00 0.00 34.95 31.88 3h5u s ARG 280 CO 0.18 -0.67 0.89 0.00 -2.50 0.00 0.00 175.30 173.20 3h5u s ALA 281 N 0.55 3.37 -0.41 6.12 0.00 -1.26 -4.78 121.76 125.34 3h5u s ALA 281 Ca 0.68 0.55 0.25 0.00 0.00 0.00 0.00 51.96 53.44 3h5u s ALA 281 Cb -0.48 -3.14 0.59 0.00 0.00 0.00 0.00 23.12 20.09 3h5u s ALA 281 CO 0.40 0.23 1.70 0.66 0.00 0.00 0.00 175.76 178.75 3h5u h SER 282 N 4.20 0.00 -1.19 0.00 4.64 -1.90 -3.36 113.55 115.94 3h5u h SER 282 Ca -0.46 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 3h5u h SER 282 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.89 3h5u h SER 282 CO 0.67 0.00 -0.55 0.61 -0.87 0.00 0.00 176.83 176.69 3h5u n GLY 283 N 0.94 6.14 3.37 -0.77 0.00 0.39 -4.11 105.19 111.15 3h5u n GLY 283 Ca 0.04 -2.68 -0.21 0.00 0.00 0.00 0.00 46.02 43.17 3h5u n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h5u s VAL 284 N -5.06 1.95 0.31 1.61 -7.23 -1.12 -4.37 120.40 106.49 3h5u s VAL 284 Ca 0.51 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 3h5u s VAL 284 Cb 0.41 -2.04 0.31 0.00 0.56 0.00 0.00 36.38 35.62 3h5u s VAL 284 CO -0.10 -0.45 1.79 0.25 -0.31 0.00 0.00 175.10 176.29 3h5u h LEU 285 N 2.74 0.76 -0.93 1.32 5.85 -1.80 -1.91 115.31 121.34 3h5u h LEU 285 Ca -0.40 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3h5u h LEU 285 Cb 1.22 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3h5u h LEU 285 CO 0.58 0.28 0.00 0.35 -0.34 0.00 0.00 178.44 179.31 3h5u n THR 286 N -4.73 0.21 -0.09 1.05 -2.24 -1.26 -4.23 114.28 102.98 3h5u n THR 286 Ca 0.23 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 3h5u n THR 286 Cb 0.57 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 3h5u n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h5u h THR 287 N 1.78 0.92 0.05 4.28 2.02 -1.59 0.25 112.91 120.61 3h5u h THR 287 Ca 0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3h5u h THR 287 Cb 0.39 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3h5u h THR 287 CO 0.00 0.05 -0.02 -1.28 0.37 0.00 0.00 175.52 174.64 3h5u h SER 288 N 0.27 -0.05 -0.06 4.18 0.87 -1.74 -1.66 113.55 115.36 3h5u h SER 288 Ca 0.15 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3h5u h SER 288 Cb 0.11 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3h5u h SER 288 CO -0.14 0.50 0.04 0.00 -0.53 0.00 0.00 176.83 176.69 3h5u h GLY 290 N 0.08 0.28 1.30 0.00 0.00 -0.60 0.66 103.07 104.79 3h5u h GLY 290 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3h5u h GLY 290 CO -0.01 0.03 0.39 3.43 0.00 0.00 0.00 176.54 180.38 3h5u h ASN 291 N 0.18 0.82 0.08 0.19 4.21 -1.20 -0.91 115.58 118.96 3h5u h ASN 291 Ca 0.10 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 3h5u h ASN 291 Cb 0.07 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.07 3h5u h ASN 291 CO -0.11 0.65 -0.04 0.74 -1.29 0.00 0.00 177.43 177.38 3h5u h THR 292 N 0.94 1.17 -0.21 2.81 2.02 -0.30 -0.27 112.91 119.08 3h5u h THR 292 Ca 0.24 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 66.37 3h5u h THR 292 Cb -0.01 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3h5u h THR 292 CO -0.04 0.26 0.07 -0.07 0.37 0.00 0.00 175.52 176.10 3h5u h LEU 293 N -0.62 0.07 -0.53 2.58 3.38 -0.89 -0.20 115.31 119.10 3h5u h LEU 293 Ca -0.01 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3h5u h LEU 293 Cb 0.51 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3h5u h LEU 293 CO 0.02 0.07 -0.12 0.74 0.09 0.00 0.00 178.44 179.24 3h5u h THR 294 N 0.16 1.27 -0.45 0.22 2.02 -1.18 0.26 112.91 115.21 3h5u h THR 294 Ca 0.09 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 3h5u h THR 294 Cb 0.07 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3h5u h THR 294 CO -0.10 0.45 0.09 0.00 0.37 0.00 0.00 175.52 176.33 3h5u h TYR 296 N 0.60 0.25 -0.10 0.00 5.03 -0.73 -0.20 116.97 121.82 3h5u h TYR 296 Ca 0.14 -0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.45 3h5u h TYR 296 Cb 0.36 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.50 3h5u h TYR 296 CO 0.02 0.36 -0.51 1.25 -1.32 0.00 0.00 178.16 177.96 3h5u h LEU 297 N 0.06 -1.62 -0.10 2.82 5.85 -0.51 0.12 115.31 121.93 3h5u h LEU 297 Ca 0.05 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3h5u h LEU 297 Cb 0.23 0.63 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3h5u h LEU 297 CO -0.00 -0.48 0.06 0.11 -0.34 0.00 0.00 178.44 177.79 3h5u h LYS 298 N -0.59 0.14 -0.65 1.25 1.57 -1.28 -2.50 116.57 114.51 3h5u h LYS 298 Ca 0.04 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3h5u h LYS 298 Cb 0.68 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3h5u h LYS 298 CO -0.41 0.13 0.09 0.00 -0.57 0.00 0.00 179.45 178.70 3h5u h ALA 299 N 1.00 0.94 -0.16 3.86 0.00 -0.95 -0.51 119.26 123.42 3h5u h ALA 299 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3h5u h ALA 299 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h5u h ALA 299 CO -0.01 0.66 0.10 0.77 0.00 0.00 0.00 179.25 180.78 3h5u h SER 300 N 1.01 0.19 -0.59 0.00 0.02 -0.67 0.70 113.55 114.21 3h5u h SER 300 Ca 0.20 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3h5u h SER 300 Cb 0.45 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 3h5u h SER 300 CO 0.01 0.16 0.30 0.00 -1.14 0.00 0.00 176.83 176.16 3h5u h ALA 301 N 1.04 0.77 0.00 3.77 0.00 -1.31 -1.75 119.26 121.77 3h5u h ALA 301 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3h5u h ALA 301 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h5u h ALA 301 CO -0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 179.25 178.93 3h5u h ALA 302 N 1.32 1.50 -0.61 0.00 0.00 -0.76 -1.43 119.26 119.28 3h5u h ALA 302 Ca 0.26 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3h5u h ALA 302 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h5u h ALA 302 CO -0.18 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 179.39 3h5u h ARG 304 N 0.98 0.23 -0.54 0.00 3.08 -1.04 -1.44 114.38 115.66 3h5u h ARG 304 Ca 0.17 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.25 3h5u h ARG 304 Cb 0.58 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.52 3h5u h ARG 304 CO 0.03 0.52 -0.05 0.00 -1.07 0.00 0.00 179.97 179.40 3h5u h ALA 305 N 0.71 0.46 0.00 0.04 0.00 -1.19 -1.17 119.26 118.11 3h5u h ALA 305 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h5u h ALA 305 Cb 0.43 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3h5u h ALA 305 CO 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3h5u n ALA 306 N -2.79 2.08 -3.41 0.00 0.00 -0.52 -4.92 120.51 110.95 3h5u n ALA 306 Ca 0.06 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3h5u n ALA 306 Cb 0.30 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.42 3h5u n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h5u n LYS 307 N -1.65 -6.70 -2.47 0.00 5.02 -0.45 -4.78 118.16 107.14 3h5u n LYS 307 Ca 0.05 0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 3h5u n LYS 307 Cb 0.29 -5.52 -0.03 0.00 -0.02 0.00 0.00 35.03 29.75 3h5u n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h5u s LEU 308 N -6.37 4.40 -0.10 -0.35 1.02 -0.80 -4.98 118.68 111.51 3h5u s LEU 308 Ca 0.34 2.00 -0.25 0.00 0.02 0.00 0.00 54.13 56.24 3h5u s LEU 308 Cb -0.15 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.45 3h5u s LEU 308 CO 0.65 -0.39 0.81 -1.58 0.02 0.00 0.00 176.35 175.86 3h5u s GLN 309 N 0.67 4.40 -1.43 1.70 0.74 -1.26 -4.34 119.66 120.13 3h5u s GLN 309 Ca 0.56 1.03 -0.08 0.00 0.05 0.00 0.00 55.36 56.92 3h5u s GLN 309 Cb -0.29 -3.50 0.05 0.00 1.10 0.00 0.00 33.01 30.37 3h5u s GLN 309 CO 0.31 -0.13 0.85 -3.47 -0.55 0.00 0.00 175.29 172.30 3h5u n ASP 310 N 4.43 -3.18 -4.78 6.67 2.03 -1.26 -1.13 116.55 119.33 3h5u n ASP 310 Ca 0.02 -0.80 -0.39 0.00 0.52 0.00 0.00 54.79 54.14 3h5u n ASP 310 Cb 0.50 -3.94 -0.06 0.00 -0.72 0.00 0.00 41.12 36.90 3h5u n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h5u s THR 312 N -1.22 2.57 0.14 0.00 2.01 0.10 -4.99 115.64 114.25 3h5u s THR 312 Ca 0.38 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.59 3h5u s THR 312 Cb -0.23 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3h5u s THR 312 CO 0.26 0.54 0.17 -0.04 -0.69 0.00 0.00 174.62 174.85 3h5u s MET 313 N 0.48 3.06 -0.06 4.92 -1.94 -1.26 -1.00 119.30 123.49 3h5u s MET 313 Ca -0.12 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 3h5u s MET 313 Cb -0.16 -2.76 0.03 0.00 2.01 0.00 0.00 34.83 33.94 3h5u s MET 313 CO 0.05 0.52 0.01 -1.17 -0.01 0.00 0.00 175.02 174.42 3h5u s LEU 314 N -2.96 0.58 -0.09 -0.03 2.96 0.39 -4.33 118.68 115.21 3h5u s LEU 314 Ca 0.32 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3h5u s LEU 314 Cb -0.11 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.24 3h5u s LEU 314 CO 0.25 -0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.30 3h5u s VAL 315 N 1.89 1.01 -0.33 1.68 1.01 -0.43 -1.03 120.40 124.21 3h5u s VAL 315 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3h5u s VAL 315 Cb -0.12 -0.99 0.10 0.00 0.00 0.00 0.00 36.38 35.37 3h5u s VAL 315 CO -0.04 0.35 0.07 0.20 0.00 0.00 0.00 175.10 175.67 3h5u s ASN 316 N 1.19 4.56 1.73 3.32 -0.87 0.39 -1.30 114.94 123.97 3h5u s ASN 316 Ca -0.05 -2.02 0.00 0.00 -1.57 0.00 0.00 52.86 49.22 3h5u s ASN 316 Cb -0.14 -1.41 0.00 0.00 -0.02 0.00 0.00 41.25 39.68 3h5u s ASN 316 CO -0.02 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.73 3h5u n GLY 317 N 4.41 3.93 0.37 0.66 0.00 -1.26 -0.69 105.19 112.61 3h5u n GLY 317 Ca 0.02 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3h5u n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h5u n ASP 318 N 8.25 1.31 -4.64 1.61 5.75 -1.26 -3.75 116.55 123.82 3h5u n ASP 318 Ca 0.00 -1.19 -0.41 0.00 -0.01 0.00 0.00 54.79 53.18 3h5u n ASP 318 Cb 0.00 0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 3h5u n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h5u s ASP 319 N -2.28 6.69 -0.09 -1.12 -1.08 0.13 -4.68 116.67 114.24 3h5u s ASP 319 Ca 0.30 0.84 0.01 0.00 -0.52 0.00 0.00 52.55 53.18 3h5u s ASP 319 Cb 0.20 -2.37 0.02 0.00 -1.46 0.00 0.00 42.92 39.31 3h5u s ASP 319 CO 0.44 -0.36 -0.11 -0.22 0.52 0.00 0.00 175.17 175.43 3h5u s LEU 320 N 2.33 1.54 0.01 -1.34 2.96 -1.26 -0.46 118.68 122.46 3h5u s LEU 320 Ca 0.29 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 3h5u s LEU 320 Cb -0.16 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 3h5u s LEU 320 CO 0.09 -0.01 -0.17 0.54 -1.32 0.00 0.00 176.35 175.48 3h5u s VAL 321 N 1.01 1.34 -0.06 1.68 0.11 -0.20 -1.57 120.40 122.72 3h5u s VAL 321 Ca -0.08 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.13 3h5u s VAL 321 Cb -0.15 -1.15 -0.00 0.00 -1.53 0.00 0.00 36.38 33.55 3h5u s VAL 321 CO -0.01 0.25 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.14 3h5u s VAL 322 N -0.58 1.55 -0.08 2.04 1.01 0.86 -0.46 120.40 124.74 3h5u s VAL 322 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3h5u s VAL 322 Cb -0.07 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3h5u s VAL 322 CO 0.00 0.44 -0.20 -0.63 0.00 0.00 0.00 175.10 174.72 3h5u s ILE 323 N 0.20 1.75 0.24 2.22 1.01 -0.17 -0.41 121.20 126.03 3h5u s ILE 323 Ca -0.09 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3h5u s ILE 323 Cb -0.14 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3h5u s ILE 323 CO 0.04 0.49 0.27 0.00 0.00 0.00 0.00 174.94 175.74 3h5u s GLU 325 N -2.78 4.24 0.45 0.00 2.56 -0.28 -1.09 118.70 121.80 3h5u s GLU 325 Ca 0.25 1.25 -0.24 0.00 0.00 0.00 0.00 54.97 56.23 3h5u s GLU 325 Cb 0.00 -3.64 -0.07 0.00 2.00 0.00 0.00 34.13 32.42 3h5u s GLU 325 CO 0.18 -0.59 1.27 0.45 -0.56 0.00 0.00 175.26 176.01 3h5u s SER 326 N 1.23 6.06 -0.18 -1.70 0.15 0.21 -4.36 113.70 115.11 3h5u s SER 326 Ca 0.42 2.57 0.15 0.00 0.70 0.00 0.00 55.95 59.78 3h5u s SER 326 Cb -0.15 -2.63 0.40 0.00 -1.71 0.00 0.00 66.02 61.93 3h5u s SER 326 CO 0.07 -1.01 1.27 0.00 1.20 0.00 0.00 173.24 174.76 3h5u n ALA 327 N -0.29 3.05 0.00 5.45 0.00 -1.26 -4.83 120.51 122.63 3h5u n ALA 327 Ca 0.06 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.69 3h5u n ALA 327 Cb 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3h5u n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5u n GLY 328 N -1.14 2.11 0.21 0.00 0.00 -1.26 -4.53 105.19 100.59 3h5u n GLY 328 Ca 0.20 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 3h5u n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h5u h THR 329 N 0.00 1.32 -0.29 2.61 1.35 -1.99 -0.86 112.91 115.05 3h5u h THR 329 Ca 0.00 -1.78 -0.15 0.00 -0.55 0.00 0.00 66.41 63.93 3h5u h THR 329 Cb 0.00 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3h5u h THR 329 CO 0.00 0.55 -0.40 1.56 -0.25 0.00 0.00 175.52 176.98 3h5u h GLN 330 N 0.42 0.78 -0.14 4.72 1.08 -2.00 -2.43 115.11 117.55 3h5u h GLN 330 Ca 0.01 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.74 3h5u h GLN 330 Cb 1.07 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 3h5u h GLN 330 CO 0.10 1.08 0.03 0.93 -0.95 0.00 0.00 178.83 180.03 3h5u h GLU 331 N 0.54 0.22 -0.64 1.46 3.07 -1.78 -2.30 114.58 115.15 3h5u h GLU 331 Ca 0.03 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.96 3h5u h GLU 331 Cb 0.99 -0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.78 3h5u h GLU 331 CO 0.09 0.37 0.16 -0.44 -1.40 0.00 0.00 179.01 177.80 3h5u h ASP 332 N 0.02 0.05 -0.21 1.42 5.19 -1.18 0.55 116.42 122.27 3h5u h ASP 332 Ca 0.04 0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 3h5u h ASP 332 Cb 0.25 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3h5u h ASP 332 CO 0.00 0.02 -0.29 0.00 -3.12 0.00 0.00 179.24 175.85 3h5u h ALA 333 N 1.50 0.86 -0.12 3.45 0.00 -1.33 -2.06 119.26 121.56 3h5u h ALA 333 Ca 0.34 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h5u h ALA 333 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h5u h ALA 333 CO -0.41 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.44 3h5u h ALA 334 N 1.07 0.16 -0.87 0.00 0.00 -0.92 -2.75 119.26 115.94 3h5u h ALA 334 Ca 0.07 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 54.94 3h5u h ALA 334 Cb 0.80 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3h5u h ALA 334 CO 0.07 -0.09 0.58 0.77 0.00 0.00 0.00 179.25 180.58 3h5u h SER 335 N -0.10 0.40 -0.29 0.00 0.02 -0.76 -2.05 113.55 110.76 3h5u h SER 335 Ca 0.03 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3h5u h SER 335 Cb 0.47 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3h5u h SER 335 CO 0.01 0.17 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.50 3h5u h LEU 336 N 0.40 0.77 -0.26 5.07 3.38 -1.18 0.02 115.31 123.50 3h5u h LEU 336 Ca 0.45 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3h5u h LEU 336 Cb 1.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3h5u h LEU 336 CO -0.16 1.09 0.00 0.03 0.09 0.00 0.00 178.44 179.49 3h5u h ARG 337 N 0.46 0.08 -0.24 1.13 3.08 -1.13 -0.99 114.38 116.77 3h5u h ARG 337 Ca 0.04 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3h5u h ARG 337 Cb 0.88 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 3h5u h ARG 337 CO 0.07 0.05 0.14 0.28 -1.07 0.00 0.00 179.97 179.45 3h5u h VAL 338 N 0.08 1.03 -0.70 2.04 2.07 -1.29 0.49 116.25 119.97 3h5u h VAL 338 Ca 0.12 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.68 3h5u h VAL 338 Cb 0.16 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 3h5u h VAL 338 CO -0.21 0.05 0.23 0.15 0.02 0.00 0.00 177.57 177.81 3h5u h PHE 339 N 0.29 0.37 -0.09 1.57 3.57 -0.77 0.08 116.94 121.97 3h5u h PHE 339 Ca 0.09 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 3h5u h PHE 339 Cb -0.00 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3h5u h PHE 339 CO -0.08 0.01 -0.67 1.15 -2.23 0.00 0.00 178.31 176.49 3h5u h THR 340 N 0.36 1.38 -0.32 4.41 2.02 -0.55 -1.05 112.91 119.15 3h5u h THR 340 Ca 0.38 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 3h5u h THR 340 Cb 0.58 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3h5u h THR 340 CO -0.42 0.62 0.14 -0.33 0.37 0.00 0.00 175.52 175.90 3h5u h GLU 341 N 0.26 0.47 -0.36 6.66 5.08 -0.11 -0.93 114.58 125.64 3h5u h GLU 341 Ca -0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3h5u h GLU 341 Cb 1.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3h5u h GLU 341 CO 0.11 0.45 0.22 0.00 -1.00 0.00 0.00 179.01 178.79 3h5u h ALA 342 N 0.99 0.46 -0.96 3.43 0.00 -0.78 -0.91 119.26 121.50 3h5u h ALA 342 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h5u h ALA 342 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3h5u h ALA 342 CO -0.01 -0.04 0.64 0.52 0.00 0.00 0.00 179.25 180.35 3h5u h MET 343 N 0.47 1.25 -0.11 0.00 2.86 -1.06 -1.20 114.93 117.14 3h5u h MET 343 Ca 0.13 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3h5u h MET 343 Cb 0.00 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 3h5u h MET 343 CO -0.02 0.83 0.05 1.15 1.06 0.00 0.00 176.91 179.97 3h5u h THR 344 N 1.29 1.14 -0.77 2.22 2.02 -0.83 0.26 112.91 118.25 3h5u h THR 344 Ca 0.36 -0.42 0.13 0.00 0.77 0.00 0.00 66.41 67.25 3h5u h THR 344 Cb -0.13 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3h5u h THR 344 CO -0.08 0.13 0.51 0.03 0.37 0.00 0.00 175.52 176.47 3h5u h ARG 345 N 0.02 0.53 0.00 6.66 3.08 -0.66 0.57 114.38 124.59 3h5u h ARG 345 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h5u h ARG 345 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3h5u h ARG 345 CO -0.00 0.35 0.00 0.66 -1.07 0.00 0.00 179.97 179.91 3h5u n TYR 346 N -4.50 0.00 -2.81 3.04 4.01 -0.50 -1.42 117.16 114.98 3h5u n TYR 346 Ca 0.14 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 3h5u n TYR 346 Cb 0.45 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.53 3h5u n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h5u n SER 347 N -0.73 -2.35 -3.10 7.72 2.88 0.19 -4.90 113.62 113.33 3h5u n SER 347 Ca 0.11 -0.38 -0.19 0.00 -1.33 0.00 0.00 58.87 57.09 3h5u n SER 347 Cb 0.05 -3.26 -0.03 0.00 -0.75 0.00 0.00 64.21 60.23 3h5u n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h5u n ALA 348 N -2.82 1.53 -1.74 -1.46 0.00 0.87 -4.61 120.51 112.28 3h5u n ALA 348 Ca -0.16 -2.99 -0.30 0.00 0.00 0.00 0.00 53.44 49.99 3h5u n ALA 348 Cb 0.60 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 19.15 3h5u n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h5u s PRO 349 N -1.31 2.78 0.40 0.00 0.04 -1.26 -3.93 135.00 131.72 3h5u s PRO 349 Ca 0.35 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 3h5u s PRO 349 Cb 0.26 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 3h5u s PRO 349 CO -0.11 -1.13 0.83 -1.25 0.04 0.00 0.00 177.00 175.39 3h5u s PRO 350 N -5.23 3.97 0.00 0.56 0.04 -1.26 -2.13 135.00 130.95 3h5u s PRO 350 Ca 0.58 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3h5u s PRO 350 Cb -0.12 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3h5u s PRO 350 CO 0.53 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.97 3h5u n GLY 351 N -0.92 1.63 3.74 0.56 0.00 0.24 -4.41 105.19 106.03 3h5u n GLY 351 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3h5u n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h5u s ASP 352 N -1.00 7.45 0.24 1.61 1.01 -1.26 -4.98 116.67 119.73 3h5u s ASP 352 Ca 0.00 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 54.90 3h5u s ASP 352 Cb 0.00 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 3h5u s ASP 352 CO 0.00 -0.07 1.43 -2.16 0.21 0.00 0.00 175.17 174.57 3h5u s PRO 353 N -0.42 4.28 0.79 8.23 0.04 -1.26 -4.55 135.00 142.11 3h5u s PRO 353 Ca 0.46 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 3h5u s PRO 353 Cb -0.26 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.23 3h5u s PRO 353 CO 0.32 -0.40 1.12 -1.25 0.04 0.00 0.00 177.00 176.83 3h5u s PRO 354 N -0.31 1.96 -0.01 0.56 0.04 -1.26 -5.05 135.00 130.93 3h5u s PRO 354 Ca 0.59 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 3h5u s PRO 354 Cb -0.41 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3h5u s PRO 354 CO 0.42 -1.90 0.05 1.14 0.04 0.00 0.00 177.00 176.75 3h5u s GLN 355 N -4.59 0.12 0.20 4.56 -2.07 -1.26 -5.01 119.66 111.61 3h5u s GLN 355 Ca 0.65 -0.05 -0.30 0.00 -1.82 0.00 0.00 55.36 53.85 3h5u s GLN 355 Cb -0.21 0.05 -0.08 0.00 -1.09 0.00 0.00 33.01 31.68 3h5u s GLN 355 CO 0.53 -0.02 1.16 -1.25 -1.32 0.00 0.00 175.29 174.39 3h5u s PRO 356 N -0.26 4.53 -0.04 9.60 0.04 -1.26 -4.60 135.00 143.01 3h5u s PRO 356 Ca -0.03 1.83 0.07 0.00 0.04 0.00 0.00 61.00 62.91 3h5u s PRO 356 Cb -0.02 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 3h5u s PRO 356 CO 0.00 -0.01 -0.24 -1.21 0.04 0.00 0.00 177.00 175.58 3h5u s GLU 357 N -0.46 2.35 -0.11 4.56 0.41 0.98 -4.95 118.70 121.47 3h5u s GLU 357 Ca 0.51 -0.89 0.14 0.00 -0.41 0.00 0.00 54.97 54.32 3h5u s GLU 357 Cb -0.32 -2.13 0.39 0.00 -1.78 0.00 0.00 34.13 30.29 3h5u s GLU 357 CO 0.37 0.49 1.30 0.66 -0.49 0.00 0.00 175.26 177.59 3h5u n TYR 358 N 2.65 0.59 -3.60 1.61 4.01 -1.26 -1.04 117.16 120.11 3h5u n TYR 358 Ca -0.17 -0.77 -0.17 0.00 -0.16 0.00 0.00 57.90 56.63 3h5u n TYR 358 Cb 0.52 -0.19 -0.14 0.00 -0.31 0.00 0.00 39.34 39.21 3h5u n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h5u s ASP 359 N -1.79 0.92 0.39 7.72 2.15 -1.26 -5.01 116.67 119.79 3h5u s ASP 359 Ca 0.32 0.17 0.17 0.00 0.43 0.00 0.00 52.55 53.64 3h5u s ASP 359 Cb 0.25 0.40 1.05 0.00 -0.30 0.00 0.00 42.92 44.32 3h5u s ASP 359 CO 0.09 -0.28 1.78 0.25 -0.17 0.00 0.00 175.17 176.85 3h5u h LEU 360 N 8.33 0.49 -1.88 -1.34 5.85 -1.97 0.45 115.31 125.23 3h5u h LEU 360 Ca -0.15 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3h5u h LEU 360 Cb 1.13 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3h5u h LEU 360 CO 0.19 0.12 0.00 -0.33 -0.34 0.00 0.00 178.44 178.08 3h5u h GLU 361 N 0.45 0.00 -0.14 1.25 5.08 -1.97 -2.34 114.58 116.90 3h5u h GLU 361 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3h5u h GLU 361 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3h5u h GLU 361 CO -0.29 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.00 3h5u n LEU 362 N -2.86 2.14 -4.78 1.33 4.77 0.15 -4.48 117.00 113.27 3h5u n LEU 362 Ca -0.01 -0.83 -0.37 0.00 -0.03 0.00 0.00 56.01 54.78 3h5u n LEU 362 Cb 0.18 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3h5u n LEU 362 CO 0.21 0.41 -0.02 -0.63 -1.33 0.00 0.00 177.39 176.04 3h5u s ILE 363 N -1.83 5.28 -0.20 -0.08 1.01 -0.88 -5.04 121.20 119.46 3h5u s ILE 363 Ca 0.34 0.55 -0.06 0.00 0.00 0.00 0.00 60.65 61.48 3h5u s ILE 363 Cb 0.20 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 3h5u s ILE 363 CO 0.30 0.47 0.04 -0.89 0.00 0.00 0.00 174.94 174.86 3h5u s THR 364 N -0.15 4.42 -0.06 2.92 2.01 -1.26 -4.19 115.64 119.34 3h5u s THR 364 Ca 0.18 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 3h5u s THR 364 Cb -0.14 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.39 3h5u s THR 364 CO 0.06 0.43 0.30 -0.94 -0.69 0.00 0.00 174.62 173.78 3h5u s SER 365 N 0.78 -0.24 -1.63 3.53 1.04 -0.12 -4.73 113.70 112.32 3h5u s SER 365 Ca 0.02 0.33 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 3h5u s SER 365 Cb -0.14 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.57 3h5u s SER 365 CO 0.02 -0.28 0.86 0.00 0.98 0.00 0.00 173.24 174.82 3h5u n SER 367 N -2.73 -5.37 -4.00 0.00 7.64 -1.26 -4.95 113.62 102.95 3h5u n SER 367 Ca 0.06 0.18 -0.09 0.00 1.01 0.00 0.00 58.87 60.03 3h5u n SER 367 Cb 0.51 -4.58 -0.11 0.00 -1.01 0.00 0.00 64.21 59.02 3h5u n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h5u s SER 368 N -2.24 0.28 0.12 6.43 0.01 -0.81 -4.66 113.70 112.83 3h5u s SER 368 Ca 0.00 -0.58 0.07 0.00 1.31 0.00 0.00 55.95 56.75 3h5u s SER 368 Cb 0.00 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 3h5u s SER 368 CO 0.00 -0.35 -0.15 0.54 0.41 0.00 0.00 173.24 173.68 3h5u s ASN 369 N -1.71 2.15 0.30 2.44 4.22 0.08 -0.95 114.94 121.47 3h5u s ASN 369 Ca -0.12 -0.79 -0.29 0.00 -2.14 0.00 0.00 52.86 49.52 3h5u s ASN 369 Cb -0.07 -0.09 -0.10 0.00 1.28 0.00 0.00 41.25 42.27 3h5u s ASN 369 CO -0.02 -0.10 1.18 -0.69 -2.04 0.00 0.00 177.10 175.42 3h5u s VAL 370 N -1.95 3.19 0.30 3.54 1.01 -1.26 -1.34 120.40 123.89 3h5u s VAL 370 Ca 0.09 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.31 3h5u s VAL 370 Cb -0.06 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3h5u s VAL 370 CO 0.04 0.29 0.27 -0.55 0.00 0.00 0.00 175.10 175.14 3h5u s SER 371 N -0.73 1.20 -0.05 3.32 0.15 0.16 -4.40 113.70 113.35 3h5u s SER 371 Ca 0.46 -1.63 0.03 0.00 0.70 0.00 0.00 55.95 55.52 3h5u s SER 371 Cb -0.35 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 3h5u s SER 371 CO 0.46 -1.04 -0.14 0.54 1.20 0.00 0.00 173.24 174.26 3h5u s VAL 372 N -3.58 1.21 0.00 4.45 0.11 -1.26 -1.42 120.40 119.91 3h5u s VAL 372 Ca 0.39 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3h5u s VAL 372 Cb 0.03 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 3h5u s VAL 372 CO 0.23 0.36 0.00 0.00 -3.33 0.00 0.00 175.10 172.36 3h5u n ALA 373 N 3.37 0.00 -2.75 1.54 0.00 -0.51 -3.32 120.51 118.83 3h5u n ALA 373 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 3h5u n ALA 373 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 3h5u n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h5u s HIS 374 N -0.67 0.65 0.31 0.00 3.76 0.11 -1.31 115.29 118.13 3h5u s HIS 374 Ca 0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 55.06 54.65 3h5u s HIS 374 Cb 0.00 -0.41 0.07 0.00 1.11 0.00 0.00 32.58 33.35 3h5u s HIS 374 CO 0.00 -0.02 0.42 -0.40 -0.85 0.00 0.00 174.74 173.89 3h5u n ASP 375 N 2.55 0.06 0.06 1.40 5.75 -0.46 -0.62 116.55 125.30 3h5u n ASP 375 Ca -0.15 -1.17 0.04 0.00 -0.01 0.00 0.00 54.79 53.50 3h5u n ASP 375 Cb 0.57 -0.32 0.44 0.00 -1.03 0.00 0.00 41.12 40.78 3h5u n ASP 375 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h5u h ALA 376 N -1.84 1.68 0.00 2.12 0.00 -1.91 -1.72 119.26 117.58 3h5u h ALA 376 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h5u h ALA 376 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h5u h ALA 376 CO 0.10 0.26 0.00 0.43 0.00 0.00 0.00 179.25 180.04 3h5u n SER 377 N -4.43 0.01 0.00 0.00 7.64 -1.26 -4.90 113.62 110.69 3h5u n SER 377 Ca 0.01 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.39 3h5u n SER 377 Cb 0.12 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3h5u n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h5u n GLY 378 N 0.89 0.60 3.75 0.23 0.00 -0.65 -5.06 105.19 104.95 3h5u n GLY 378 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3h5u n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h5u s LYS 379 N -0.80 4.38 0.29 1.61 2.20 -1.26 -4.68 119.74 121.48 3h5u s LYS 379 Ca 0.00 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 3h5u s LYS 379 Cb 0.00 -3.14 -0.12 0.00 -1.51 0.00 0.00 37.83 33.05 3h5u s LYS 379 CO 0.00 -0.21 1.48 0.54 -0.36 0.00 0.00 175.35 176.80 3h5u n ARG 380 N 1.90 2.41 -3.97 4.03 1.74 -1.26 -1.35 116.66 120.15 3h5u n ARG 380 Ca 0.04 0.85 -0.16 0.00 -0.77 0.00 0.00 57.85 57.81 3h5u n ARG 380 Cb 0.42 -2.56 -0.15 0.00 -1.02 0.00 0.00 32.46 29.14 3h5u n ARG 380 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h5u s VAL 381 N -0.27 0.20 0.17 1.55 0.11 -0.43 -4.85 120.40 116.89 3h5u s VAL 381 Ca 0.63 -0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.55 3h5u s VAL 381 Cb -0.55 -0.24 -0.07 0.00 -1.53 0.00 0.00 36.38 33.99 3h5u s VAL 381 CO 0.52 0.11 0.55 -0.31 -3.33 0.00 0.00 175.10 172.64 3h5u s TYR 382 N 0.57 3.55 0.12 1.54 2.02 -1.26 -1.42 117.35 122.48 3h5u s TYR 382 Ca -0.06 1.00 -0.18 0.00 -0.37 0.00 0.00 57.07 57.47 3h5u s TYR 382 Cb -0.09 -2.34 0.04 0.00 -0.40 0.00 0.00 41.96 39.18 3h5u s TYR 382 CO -0.01 0.38 0.45 1.52 -1.57 0.00 0.00 175.55 176.32 3h5u s TYR 383 N -1.57 -0.29 -0.11 2.71 1.13 -0.50 -4.98 117.35 113.74 3h5u s TYR 383 Ca 0.41 0.03 -0.15 0.00 -1.41 0.00 0.00 57.07 55.95 3h5u s TYR 383 Cb -0.14 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 41.00 3h5u s TYR 383 CO 0.20 -0.72 0.36 -0.51 -2.51 0.00 0.00 175.55 172.36 3h5u s LEU 384 N -2.71 4.32 0.00 -3.49 1.02 -1.26 -0.67 118.68 115.89 3h5u s LEU 384 Ca 0.02 0.70 0.05 0.00 0.02 0.00 0.00 54.13 54.92 3h5u s LEU 384 Cb 0.01 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.71 3h5u s LEU 384 CO -0.11 0.15 0.24 1.07 0.02 0.00 0.00 176.35 177.72 3h5u n THR 385 N 3.05 0.00 -3.72 5.49 5.66 -0.45 -4.77 114.28 119.54 3h5u n THR 385 Ca -0.12 -1.87 -0.06 0.00 -3.05 0.00 0.00 64.05 58.95 3h5u n THR 385 Cb 0.52 0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 70.23 3h5u n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h5u s ARG 386 N -3.03 1.38 0.19 1.09 1.70 -1.26 -0.74 118.95 118.28 3h5u s ARG 386 Ca 0.31 -0.71 -0.32 0.00 -0.47 0.00 0.00 55.73 54.54 3h5u s ARG 386 Cb 0.01 0.50 -0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3h5u s ARG 386 CO 0.22 -0.63 1.67 0.34 -1.08 0.00 0.00 175.30 175.82 3h5u s ASP 387 N -2.85 6.46 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.14 3h5u s ASP 387 Ca 0.09 2.77 0.30 0.00 -0.52 0.00 0.00 52.55 55.19 3h5u s ASP 387 Cb -0.03 -2.60 1.43 0.00 -1.46 0.00 0.00 42.92 40.26 3h5u s ASP 387 CO 0.01 -0.92 1.96 -0.81 0.52 0.00 0.00 175.17 175.93 3h5u n PRO 388 N 4.05 1.37 -0.08 4.34 -0.04 -1.26 -4.43 135.00 138.94 3h5u n PRO 388 Ca 0.15 -0.54 -0.06 0.00 -0.04 0.00 0.00 63.50 63.01 3h5u n PRO 388 Cb 0.37 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3h5u n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3h5u h THR 389 N 1.31 0.59 -0.08 0.52 2.02 -1.93 -0.35 112.91 115.00 3h5u h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3h5u h THR 389 Cb 0.28 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3h5u h THR 389 CO 0.00 0.00 -0.11 0.74 0.37 0.00 0.00 175.52 176.52 3h5u h THR 390 N -0.06 1.39 -0.91 3.16 2.02 -1.97 -0.27 112.91 116.27 3h5u h THR 390 Ca 0.16 -1.33 0.24 0.00 0.77 0.00 0.00 66.41 66.25 3h5u h THR 390 Cb 0.30 2.09 -0.13 0.00 -1.74 0.00 0.00 68.15 68.67 3h5u h THR 390 CO -0.36 0.37 0.39 -0.65 0.37 0.00 0.00 175.52 175.64 3h5u h PRO 391 N -0.24 0.34 0.11 6.66 0.11 -1.80 -1.52 132.00 135.67 3h5u h PRO 391 Ca 0.01 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.83 3h5u h PRO 391 Cb 0.65 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.70 3h5u h PRO 391 CO 0.03 0.22 -1.19 -0.07 -0.21 0.00 0.00 178.00 176.78 3h5u h LEU 392 N 0.35 0.57 -0.52 2.35 3.38 -0.87 -1.21 115.31 119.35 3h5u h LEU 392 Ca 0.59 -0.55 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3h5u h LEU 392 Cb 1.17 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 3h5u h LEU 392 CO -0.57 1.40 0.08 0.00 0.09 0.00 0.00 178.44 179.44 3h5u h ALA 393 N 0.53 0.57 -0.23 1.53 0.00 -0.83 -1.06 119.26 119.77 3h5u h ALA 393 Ca -0.14 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3h5u h ALA 393 Cb 1.88 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 3h5u h ALA 393 CO 0.21 -0.33 -0.57 0.00 0.00 0.00 0.00 179.25 178.56 3h5u h ARG 394 N 0.20 0.70 -0.99 0.00 3.08 -1.26 -2.55 114.38 113.57 3h5u h ARG 394 Ca 0.27 -0.46 0.04 0.00 0.07 0.00 0.00 59.98 59.91 3h5u h ARG 394 Cb 0.38 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 3h5u h ARG 394 CO -0.37 1.08 0.65 0.00 -1.07 0.00 0.00 179.97 180.25 3h5u h ALA 395 N 0.83 1.37 -0.44 0.04 0.00 -1.02 0.29 119.26 120.32 3h5u h ALA 395 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h5u h ALA 395 Cb 1.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3h5u h ALA 395 CO 0.12 0.52 0.23 0.00 0.00 0.00 0.00 179.25 180.11 3h5u h ALA 396 N 1.43 0.57 -0.43 0.00 0.00 -1.00 -1.19 119.26 118.64 3h5u h ALA 396 Ca 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h5u h ALA 396 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h5u h ALA 396 CO -0.13 0.11 0.26 2.35 0.00 0.00 0.00 179.25 181.83 3h5u h TRP 397 N 0.58 0.57 0.00 0.00 2.91 -1.00 -3.00 115.95 116.01 3h5u h TRP 397 Ca 0.15 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3h5u h TRP 397 Cb 0.08 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.54 3h5u h TRP 397 CO -0.02 0.41 0.00 0.39 -1.03 0.00 0.00 178.44 178.19 3h5u n GLU 398 N -4.74 0.17 -0.19 2.65 1.02 0.04 -1.14 120.64 118.44 3h5u n GLU 398 Ca 0.01 0.26 -0.07 0.00 -0.02 0.00 0.00 57.16 57.34 3h5u n GLU 398 Cb 0.06 -1.75 0.07 0.00 -0.02 0.00 0.00 31.44 29.80 3h5u n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3h5u h THR 399 N 0.00 1.26 0.00 2.62 2.02 -1.07 -3.34 112.91 114.40 3h5u h THR 399 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3h5u h THR 399 Cb 0.51 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3h5u h THR 399 CO 0.00 0.40 -0.81 0.00 0.37 0.00 0.00 175.52 175.48 3h5u n ALA 400 N -2.48 3.67 -3.30 6.16 0.00 -0.94 -4.92 120.51 118.71 3h5u n ALA 400 Ca 0.03 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 3h5u n ALA 400 Cb 0.32 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 3h5u n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h5u s ARG 401 N -2.43 0.26 -0.10 0.00 1.81 -0.29 -4.90 118.95 113.29 3h5u s ARG 401 Ca 0.04 -0.00 -0.30 0.00 -1.72 0.00 0.00 55.73 53.75 3h5u s ARG 401 Cb 0.11 -0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.24 3h5u s ARG 401 CO 0.59 -0.04 1.07 -1.01 -0.68 0.00 0.00 175.30 175.22 3h5u s HIS 402 N 0.51 3.39 0.21 -0.53 3.76 -1.26 -4.25 115.29 117.12 3h5u s HIS 402 Ca -0.05 1.46 0.09 0.00 -0.15 0.00 0.00 55.06 56.41 3h5u s HIS 402 Cb -0.08 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 3h5u s HIS 402 CO -0.01 -0.60 -0.06 0.95 -0.85 0.00 0.00 174.74 174.17 3h5u s THR 403 N 2.19 3.32 0.37 1.30 -4.23 -1.26 -5.04 115.64 112.29 3h5u s THR 403 Ca 0.50 -1.74 0.18 0.00 -1.18 0.00 0.00 61.69 59.45 3h5u s THR 403 Cb -0.20 -2.69 0.18 0.00 1.34 0.00 0.00 72.50 71.12 3h5u s THR 403 CO 0.18 -0.21 1.92 1.55 -0.54 0.00 0.00 174.62 177.52 3h5u h PRO 404 N 2.52 0.00 -4.78 3.99 0.13 -1.96 -3.39 132.00 128.51 3h5u h PRO 404 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 3h5u h PRO 404 Cb 1.22 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 3h5u h PRO 404 CO 0.57 0.26 -0.84 0.08 -0.23 0.00 0.00 178.00 177.84 3h5u s VAL 405 N -4.20 1.65 -0.83 1.56 1.01 -1.26 -4.72 120.40 113.61 3h5u s VAL 405 Ca -0.03 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 3h5u s VAL 405 Cb 0.14 -1.52 0.11 0.00 0.00 0.00 0.00 36.38 35.11 3h5u s VAL 405 CO 0.67 0.47 1.04 0.20 0.00 0.00 0.00 175.10 177.48 3h5u s ASN 406 N 1.26 6.47 0.33 3.32 0.01 -0.85 -4.87 114.94 120.60 3h5u s ASN 406 Ca 0.00 -1.72 0.03 0.00 -0.71 0.00 0.00 52.86 50.47 3h5u s ASN 406 Cb -0.14 -2.39 0.57 0.00 0.41 0.00 0.00 41.25 39.70 3h5u s ASN 406 CO -0.07 -1.16 1.87 0.77 -1.51 0.00 0.00 177.10 176.99 3h5u h SER 407 N 9.05 0.54 -0.84 -1.22 4.64 -1.94 -2.14 113.55 121.65 3h5u h SER 407 Ca -0.00 -0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.33 3h5u h SER 407 Cb 1.04 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.93 3h5u h SER 407 CO 1.12 0.59 0.54 4.11 -0.87 0.00 0.00 176.83 182.32 3h5u h TRP 408 N 0.55 0.83 -0.13 4.77 5.08 -1.89 0.30 115.95 125.45 3h5u h TRP 408 Ca 0.12 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 59.93 3h5u h TRP 408 Cb 0.31 -0.27 0.01 0.00 -3.00 0.00 0.00 29.16 26.22 3h5u h TRP 408 CO 0.01 0.37 -0.62 1.25 -1.28 0.00 0.00 178.44 178.17 3h5u h LEU 409 N 0.76 0.78 -1.47 0.11 5.85 -1.79 -0.64 115.31 118.90 3h5u h LEU 409 Ca 0.39 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3h5u h LEU 409 Cb 0.50 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3h5u h LEU 409 CO -0.16 1.28 -0.18 1.23 -0.34 0.00 0.00 178.44 180.27 3h5u h GLY 410 N 0.32 0.12 1.20 3.75 0.00 -1.33 -1.23 103.07 105.91 3h5u h GLY 410 Ca -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 3h5u h GLY 410 CO 0.13 0.07 -0.71 3.43 0.00 0.00 0.00 176.54 179.46 3h5u h ASN 411 N 0.11 0.93 -0.31 0.19 2.35 -0.77 -1.04 115.58 117.04 3h5u h ASN 411 Ca 0.02 -0.58 -0.02 0.00 -0.55 0.00 0.00 56.30 55.18 3h5u h ASN 411 Cb 0.39 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3h5u h ASN 411 CO 0.03 1.37 0.13 0.40 -1.65 0.00 0.00 177.43 177.71 3h5u h ILE 412 N 0.57 1.17 0.37 2.81 2.04 -0.89 0.16 117.51 123.74 3h5u h ILE 412 Ca -0.03 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3h5u h ILE 412 Cb 1.33 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3h5u h ILE 412 CO 0.15 0.18 -0.18 0.40 0.00 0.00 0.00 178.15 178.70 3h5u h ILE 413 N 0.35 0.63 0.00 -0.67 2.04 -1.22 -1.28 117.51 117.36 3h5u h ILE 413 Ca 0.10 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3h5u h ILE 413 Cb 0.17 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3h5u h ILE 413 CO -0.01 0.00 -0.49 0.24 0.00 0.00 0.00 178.15 177.90 3h5u h MET 414 N -0.51 0.00 -0.07 2.37 2.86 -1.18 -3.29 114.93 115.12 3h5u h MET 414 Ca -0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3h5u h MET 414 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3h5u h MET 414 CO 0.08 0.11 -0.36 0.66 1.06 0.00 0.00 176.91 178.46 3h5u n TYR 415 N -2.98 0.21 -0.29 -0.22 4.01 0.54 -4.86 117.16 113.57 3h5u n TYR 415 Ca 0.01 -1.46 0.10 0.00 -0.16 0.00 0.00 57.90 56.39 3h5u n TYR 415 Cb 0.60 -0.29 0.23 0.00 -0.31 0.00 0.00 39.34 39.57 3h5u n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h5u h ALA 416 N 0.91 1.03 0.00 -0.72 0.00 -1.30 -1.45 119.26 117.74 3h5u h ALA 416 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3h5u h ALA 416 Cb 1.13 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3h5u h ALA 416 CO 0.07 -0.46 0.00 -0.35 0.00 0.00 0.00 179.25 178.51 3h5u n PRO 417 N -5.33 0.56 -2.87 0.00 -0.05 -1.26 -4.41 135.00 121.65 3h5u n PRO 417 Ca 0.18 0.03 -0.33 0.00 -0.05 0.00 0.00 63.50 63.33 3h5u n PRO 417 Cb 0.60 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.48 3h5u n PRO 417 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3h5u s THR 418 N -2.18 4.42 0.19 0.52 -4.23 -0.55 -4.94 115.64 108.87 3h5u s THR 418 Ca 0.29 1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 62.11 3h5u s THR 418 Cb 0.15 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.45 3h5u s THR 418 CO 0.27 -0.25 1.71 0.25 -0.54 0.00 0.00 174.62 176.07 3h5u h LEU 419 N 2.11 -0.03 -0.14 4.79 5.85 -1.88 -2.38 115.31 123.62 3h5u h LEU 419 Ca -0.49 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.10 3h5u h LEU 419 Cb 1.18 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3h5u h LEU 419 CO 0.62 0.01 -0.98 4.11 -0.34 0.00 0.00 178.44 181.86 3h5u h TRP 420 N 0.21 0.55 -0.41 1.25 5.08 -1.93 -1.12 115.95 119.58 3h5u h TRP 420 Ca 0.25 -0.32 -0.12 0.00 1.08 0.00 0.00 58.89 59.79 3h5u h TRP 420 Cb 0.34 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 3h5u h TRP 420 CO -0.24 1.15 -0.21 0.00 -1.28 0.00 0.00 178.44 177.86 3h5u h ALA 421 N 0.74 0.85 -0.01 0.11 0.00 -1.78 -2.04 119.26 117.14 3h5u h ALA 421 Ca -0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3h5u h ALA 421 Cb 1.63 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.26 3h5u h ALA 421 CO 0.17 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.79 3h5u h ARG 422 N 0.72 0.20 0.10 0.00 3.08 -1.34 -0.83 114.38 116.30 3h5u h ARG 422 Ca 0.10 -0.20 -0.26 0.00 0.07 0.00 0.00 59.98 59.69 3h5u h ARG 422 Cb 0.73 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3h5u h ARG 422 CO 0.06 0.91 -1.17 0.52 -1.07 0.00 0.00 179.97 179.22 3h5u h MET 423 N -0.43 0.28 0.00 0.04 2.86 -1.27 -3.35 114.93 113.06 3h5u h MET 423 Ca -0.03 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 3h5u h MET 423 Cb 0.99 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 3h5u h MET 423 CO 0.05 1.18 -0.82 -0.89 1.06 0.00 0.00 176.91 177.49 3h5u n ILE 424 N -3.57 1.41 -0.08 -1.22 5.41 -0.78 -4.20 119.36 116.33 3h5u n ILE 424 Ca -0.08 0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 3h5u n ILE 424 Cb 0.98 -2.12 -0.05 0.00 -0.71 0.00 0.00 39.64 37.75 3h5u n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h5u h LEU 425 N -0.73 0.44 -0.23 1.39 3.38 -1.38 0.34 115.31 118.53 3h5u h LEU 425 Ca -0.04 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3h5u h LEU 425 Cb 0.78 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3h5u h LEU 425 CO -0.02 0.70 0.10 0.24 0.09 0.00 0.00 178.44 179.55 3h5u h MET 426 N 0.18 0.33 -0.10 1.13 2.86 -1.30 -1.45 114.93 116.57 3h5u h MET 426 Ca 0.06 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3h5u h MET 426 Cb 0.50 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3h5u h MET 426 CO 0.02 0.35 0.06 1.15 1.06 0.00 0.00 176.91 179.55 3h5u h THR 427 N 0.23 1.07 0.26 2.22 2.02 -1.65 -1.33 112.91 115.72 3h5u h THR 427 Ca 0.08 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3h5u h THR 427 Cb 0.13 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3h5u h THR 427 CO -0.01 0.06 -0.13 -0.74 0.37 0.00 0.00 175.52 175.07 3h5u h HIS 428 N 0.09 -0.33 -0.20 3.16 6.17 -0.90 -2.40 115.15 120.74 3h5u h HIS 428 Ca 0.04 -0.01 -0.17 0.00 0.71 0.00 0.00 60.37 60.94 3h5u h HIS 428 Cb 0.05 0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.08 3h5u h HIS 428 CO -0.05 -0.04 -0.55 0.74 0.71 0.00 0.00 177.93 178.73 3h5u h PHE 429 N -0.60 0.77 -0.50 5.26 0.04 -1.26 -2.23 116.94 118.41 3h5u h PHE 429 Ca -0.04 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.40 3h5u h PHE 429 Cb 0.43 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3h5u h PHE 429 CO 0.01 1.02 0.04 0.74 -0.60 0.00 0.00 178.31 179.52 3h5u h PHE 430 N 0.47 0.85 -0.72 -0.55 -1.00 -1.31 -0.41 116.94 114.26 3h5u h PHE 430 Ca 0.01 -0.10 0.06 0.00 2.81 0.00 0.00 57.97 60.74 3h5u h PHE 430 Cb 1.11 -0.24 -0.06 0.00 3.61 0.00 0.00 35.95 40.37 3h5u h PHE 430 CO 0.05 0.76 0.42 1.03 -1.61 0.00 0.00 178.31 178.96 3h5u h SER 431 N 0.76 0.65 -0.43 2.17 0.87 -1.21 0.97 113.55 117.32 3h5u h SER 431 Ca 0.16 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3h5u h SER 431 Cb 0.40 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3h5u h SER 431 CO 0.01 0.42 -0.06 0.40 -0.53 0.00 0.00 176.83 177.08 3h5u h ILE 432 N 0.78 1.27 -0.40 2.23 2.04 -1.02 -2.74 117.51 119.68 3h5u h ILE 432 Ca 0.32 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 3h5u h ILE 432 Cb 0.16 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3h5u h ILE 432 CO -0.17 0.39 -0.07 -0.07 0.00 0.00 0.00 178.15 178.22 3h5u h LEU 433 N 0.64 0.75 0.04 1.44 3.38 -0.63 -1.99 115.31 118.93 3h5u h LEU 433 Ca 0.12 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3h5u h LEU 433 Cb 0.57 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3h5u h LEU 433 CO 0.03 0.93 -0.38 -0.07 0.09 0.00 0.00 178.44 179.04 3h5u h LEU 434 N 0.56 -1.14 -1.36 1.67 3.38 -0.86 0.08 115.31 117.64 3h5u h LEU 434 Ca 0.10 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.33 3h5u h LEU 434 Cb 0.58 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 3h5u h LEU 434 CO 0.03 -0.44 0.53 0.00 0.09 0.00 0.00 178.44 178.65 3h5u h ALA 435 N 0.02 1.83 -0.26 1.53 0.00 -1.33 -1.30 119.26 119.75 3h5u h ALA 435 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h5u h ALA 435 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h5u h ALA 435 CO -0.27 -0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.00 3h5u n GLN 436 N -4.52 2.30 -3.74 0.00 1.13 -0.76 -4.98 117.38 106.81 3h5u n GLN 436 Ca 0.15 -1.95 -0.22 0.00 -1.94 0.00 0.00 57.00 53.04 3h5u n GLN 436 Cb 0.40 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.29 3h5u n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3h5u n GLU 437 N 1.20 -4.84 -0.50 -1.09 1.02 -0.23 -4.93 120.64 111.28 3h5u n GLU 437 Ca 0.18 0.60 0.07 0.00 -0.02 0.00 0.00 57.16 57.99 3h5u n GLU 437 Cb 0.55 -5.15 0.17 0.00 -0.02 0.00 0.00 31.44 26.98 3h5u n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h5u n GLN 438 N -4.31 1.33 0.20 3.49 6.02 -0.16 -4.75 117.38 119.21 3h5u n GLN 438 Ca -0.28 -2.92 0.05 0.00 -0.01 0.00 0.00 57.00 53.84 3h5u n GLN 438 Cb 0.67 -1.44 0.47 0.00 1.02 0.00 0.00 30.24 30.97 3h5u n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h5u h LEU 439 N 0.66 0.04 -1.33 1.08 3.38 -1.92 -2.57 115.31 114.64 3h5u h LEU 439 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h5u h LEU 439 Cb 1.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3h5u h LEU 439 CO 0.01 0.23 -0.04 -0.62 0.09 0.00 0.00 178.44 178.10 3h5u n GLU 440 N -4.30 1.86 -2.96 1.13 4.71 -1.26 -2.76 120.64 117.06 3h5u n GLU 440 Ca -0.02 -1.33 -0.41 0.00 -0.01 0.00 0.00 57.16 55.38 3h5u n GLU 440 Cb 0.26 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.17 3h5u n GLU 440 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3h5u s LYS 441 N -2.06 4.11 0.21 3.49 2.20 -0.97 -4.92 119.74 121.80 3h5u s LYS 441 Ca 0.32 0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 56.38 3h5u s LYS 441 Cb 0.20 -3.67 -0.11 0.00 -1.51 0.00 0.00 37.83 32.75 3h5u s LYS 441 CO 0.35 -0.53 1.62 0.00 -0.36 0.00 0.00 175.35 176.43 3h5u s ALA 442 N 2.79 3.82 0.15 3.13 0.00 -1.26 -4.43 121.76 125.96 3h5u s ALA 442 Ca 0.32 1.49 0.11 0.00 0.00 0.00 0.00 51.96 53.88 3h5u s ALA 442 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3h5u s ALA 442 CO 0.09 -0.87 -0.24 -0.51 0.00 0.00 0.00 175.76 174.22 3h5u s LEU 443 N 0.69 2.37 -0.06 0.00 1.43 0.12 -4.82 118.68 118.41 3h5u s LEU 443 Ca 0.70 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 3h5u s LEU 443 Cb -0.47 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3h5u s LEU 443 CO 0.36 0.12 0.38 -1.81 0.23 0.00 0.00 176.35 175.63 3h5u s ASP 444 N -2.33 6.70 0.22 2.29 1.01 -1.26 0.41 116.67 123.70 3h5u s ASP 444 Ca 0.16 0.83 -0.00 0.00 0.71 0.00 0.00 52.55 54.24 3h5u s ASP 444 Cb -0.09 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 3h5u s ASP 444 CO 0.07 0.24 0.11 0.00 0.21 0.00 0.00 175.17 175.80 3h5u s GLN 446 N -4.10 3.03 -0.20 0.00 -0.21 -1.26 -0.75 119.66 116.17 3h5u s GLN 446 Ca 0.38 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.95 3h5u s GLN 446 Cb 0.07 -2.71 0.03 0.00 1.00 0.00 0.00 33.01 31.40 3h5u s GLN 446 CO 0.12 -0.24 -0.17 0.42 -2.12 0.00 0.00 175.29 173.30 3h5u s ILE 447 N 1.33 2.16 -1.43 1.08 -1.09 -0.72 -4.65 121.20 117.89 3h5u s ILE 447 Ca 0.04 -1.06 -0.09 0.00 -2.23 0.00 0.00 60.65 57.31 3h5u s ILE 447 Cb -0.14 -1.99 0.05 0.00 -1.58 0.00 0.00 42.46 38.80 3h5u s ILE 447 CO -0.10 0.41 0.66 -1.22 -1.23 0.00 0.00 174.94 173.47 3h5u n TYR 448 N 4.59 -2.01 0.00 3.97 4.01 -1.26 -2.50 117.16 123.96 3h5u n TYR 448 Ca -0.19 0.60 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 3h5u n TYR 448 Cb 0.48 -3.76 0.00 0.00 -0.31 0.00 0.00 39.34 35.75 3h5u n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h5u n GLY 449 N -1.44 2.55 3.91 2.72 0.00 -1.26 -0.81 105.19 110.86 3h5u n GLY 449 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3h5u n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5u s ALA 450 N -2.35 3.71 -0.22 4.61 0.00 -1.04 -4.27 121.76 122.20 3h5u s ALA 450 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 3h5u s ALA 450 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 3h5u s ALA 450 CO 0.00 0.39 0.14 0.00 0.00 0.00 0.00 175.76 176.29 3h5u s TYR 452 N 0.71 2.08 -0.31 0.00 1.51 0.07 -0.71 117.35 120.70 3h5u s TYR 452 Ca 0.08 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 3h5u s TYR 452 Cb -0.12 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 3h5u s TYR 452 CO 0.01 -0.05 0.25 0.45 -1.11 0.00 0.00 175.55 175.10 3h5u s SER 453 N -0.51 6.08 -0.04 2.29 0.15 -1.06 -1.54 113.70 119.06 3h5u s SER 453 Ca 0.08 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.61 3h5u s SER 453 Cb -0.09 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3h5u s SER 453 CO -0.01 -0.16 -0.12 -0.63 1.20 0.00 0.00 173.24 173.52 3h5u s ILE 454 N 1.81 1.02 -0.16 6.45 1.01 0.16 -4.85 121.20 126.64 3h5u s ILE 454 Ca 0.08 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 3h5u s ILE 454 Cb -0.17 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 3h5u s ILE 454 CO 0.11 0.32 0.73 -1.61 0.00 0.00 0.00 174.94 174.49 3h5u s GLU 455 N 0.32 4.29 0.48 2.79 2.02 -1.26 0.14 118.70 127.49 3h5u s GLU 455 Ca -0.07 0.85 0.29 0.00 0.02 0.00 0.00 54.97 56.06 3h5u s GLU 455 Cb -0.12 -3.55 1.37 0.00 0.10 0.00 0.00 34.13 31.94 3h5u s GLU 455 CO 0.02 -0.22 1.79 -1.35 0.02 0.00 0.00 175.26 175.52 3h5u h PRO 456 N 7.27 0.15 0.00 0.39 0.11 -1.77 0.14 132.00 138.29 3h5u h PRO 456 Ca -0.32 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3h5u h PRO 456 Cb 1.15 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h5u h PRO 456 CO 0.80 0.10 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.62 3h5u h LEU 457 N 0.15 0.00 -0.59 2.35 3.38 -1.89 -2.52 115.31 116.19 3h5u h LEU 457 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 3h5u h LEU 457 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 3h5u h LEU 457 CO -0.13 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.87 3h5u n ASP 458 N -3.09 0.92 -0.27 -0.43 8.00 0.48 -4.43 116.55 117.73 3h5u n ASP 458 Ca -0.01 -1.31 -0.05 0.00 0.71 0.00 0.00 54.79 54.13 3h5u n ASP 458 Cb 0.18 -0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.36 3h5u n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h5u h LEU 459 N 1.44 1.06 -0.45 0.64 3.38 -1.57 -2.35 115.31 117.46 3h5u h LEU 459 Ca 0.00 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3h5u h LEU 459 Cb 0.31 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3h5u h LEU 459 CO 0.00 0.96 0.18 -0.65 0.09 0.00 0.00 178.44 179.02 3h5u h PRO 460 N 1.12 0.36 -0.42 1.13 0.11 -1.84 0.13 132.00 132.59 3h5u h PRO 460 Ca 0.25 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.22 3h5u h PRO 460 Cb 0.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3h5u h PRO 460 CO -0.02 0.23 -0.22 1.96 -0.21 0.00 0.00 178.00 179.75 3h5u h GLN 461 N 0.37 0.85 -0.54 1.05 7.50 -1.85 -1.03 115.11 121.44 3h5u h GLN 461 Ca 0.21 -0.35 -0.04 0.00 0.50 0.00 0.00 58.65 58.97 3h5u h GLN 461 Cb 0.18 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 3h5u h GLN 461 CO -0.19 0.98 0.19 0.82 -1.50 0.00 0.00 178.83 179.13 3h5u h ILE 462 N 0.74 1.23 -0.42 2.54 2.04 -1.17 -2.13 117.51 120.33 3h5u h ILE 462 Ca 0.10 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 3h5u h ILE 462 Cb 0.75 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3h5u h ILE 462 CO 0.06 0.28 -0.05 0.40 0.00 0.00 0.00 178.15 178.83 3h5u h ILE 463 N 0.75 1.27 -0.10 -0.67 2.04 -0.50 -1.54 117.51 118.75 3h5u h ILE 463 Ca 0.18 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.93 3h5u h ILE 463 Cb 0.24 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3h5u h ILE 463 CO -0.01 0.38 -0.01 -0.08 0.00 0.00 0.00 178.15 178.43 3h5u h GLU 464 N 0.60 0.02 -0.94 2.37 4.81 -1.13 -0.59 114.58 119.72 3h5u h GLU 464 Ca 0.11 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3h5u h GLU 464 Cb 0.57 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 3h5u h GLU 464 CO 0.03 0.01 0.60 0.00 -0.73 0.00 0.00 179.01 178.93 3h5u h ARG 465 N 0.02 1.25 0.00 1.92 2.47 -1.23 0.76 114.38 119.56 3h5u h ARG 465 Ca 0.05 -0.09 -0.18 0.00 -1.26 0.00 0.00 59.98 58.51 3h5u h ARG 465 Cb 0.07 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 3h5u h ARG 465 CO -0.10 0.84 -0.90 -0.07 0.56 0.00 0.00 179.97 180.31 3h5u h LEU 466 N 1.28 0.00 0.00 3.04 3.38 -1.07 -3.40 115.31 118.54 3h5u h LEU 466 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3h5u h LEU 466 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h5u h LEU 466 CO -0.07 0.80 -0.29 1.41 0.09 0.00 0.00 178.44 180.38 3h5u n HIS 467 N -3.26 0.00 -0.35 1.13 8.25 -0.25 -2.04 115.22 118.71 3h5u n HIS 467 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 3h5u n HIS 467 Cb 0.87 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.96 3h5u n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h5u n GLY 468 N 1.11 -2.41 0.30 -1.41 0.00 0.26 -4.49 105.19 98.55 3h5u n GLY 468 Ca 0.00 -1.38 0.16 0.00 0.00 0.00 0.00 46.02 44.80 3h5u n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h5u h LEU 469 N -0.34 0.00 -1.94 0.99 3.38 -1.89 -2.77 115.31 112.74 3h5u h LEU 469 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3h5u h LEU 469 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3h5u h LEU 469 CO 0.01 0.01 0.12 0.77 0.09 0.00 0.00 178.44 179.45 3h5u h SER 470 N 0.00 0.07 -1.06 -0.43 4.64 -1.96 -0.82 113.55 113.99 3h5u h SER 470 Ca -0.00 -0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.62 3h5u h SER 470 Cb 0.04 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 3h5u h SER 470 CO 0.00 0.05 0.75 0.00 -0.87 0.00 0.00 176.83 176.76 3h5u h ALA 471 N 1.91 2.83 -0.01 5.18 0.00 -1.72 0.20 119.26 127.64 3h5u h ALA 471 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h5u h ALA 471 Cb 0.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h5u h ALA 471 CO -0.01 -1.15 -0.04 1.19 0.00 0.00 0.00 179.25 179.23 3h5u n PHE 472 N -4.31 0.00 -0.11 0.00 3.72 -0.31 -4.26 117.46 112.19 3h5u n PHE 472 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 3h5u n PHE 472 Cb 1.07 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 3h5u n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h5u n SER 473 N -0.09 0.27 -4.75 4.37 7.64 0.60 -4.54 113.62 117.11 3h5u n SER 473 Ca 0.18 -0.60 -0.38 0.00 1.01 0.00 0.00 58.87 59.08 3h5u n SER 473 Cb 0.33 0.45 0.04 0.00 -1.01 0.00 0.00 64.21 64.01 3h5u n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h5u s LEU 474 N -0.89 3.84 0.27 -3.43 1.43 -0.63 -4.14 118.68 115.13 3h5u s LEU 474 Ca 0.00 2.68 -0.20 0.00 -1.03 0.00 0.00 54.13 55.59 3h5u s LEU 474 Cb 0.00 -4.31 0.06 0.00 0.03 0.00 0.00 46.19 41.98 3h5u s LEU 474 CO 0.00 -1.52 0.92 -1.38 0.23 0.00 0.00 176.35 174.60 3h5u s HIS 475 N -1.35 0.07 -1.06 0.29 -3.43 0.21 -4.92 115.29 105.11 3h5u s HIS 475 Ca 0.72 -0.58 -0.18 0.00 -0.80 0.00 0.00 55.06 54.22 3h5u s HIS 475 Cb -0.38 0.75 0.01 0.00 -1.43 0.00 0.00 32.58 31.53 3h5u s HIS 475 CO 0.45 -1.19 0.73 0.43 -2.00 0.00 0.00 174.74 173.15 3h5u n SER 476 N -1.22 -5.25 -4.70 7.38 7.64 -1.26 0.06 113.62 116.26 3h5u n SER 476 Ca -0.05 -0.98 -0.30 0.00 1.01 0.00 0.00 58.87 58.55 3h5u n SER 476 Cb 0.60 -2.89 0.14 0.00 -1.01 0.00 0.00 64.21 61.05 3h5u n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h5u s TYR 477 N -3.34 2.14 0.49 1.43 1.51 -1.26 -4.13 117.35 114.18 3h5u s TYR 477 Ca 0.35 1.51 -0.21 0.00 -1.01 0.00 0.00 57.07 57.71 3h5u s TYR 477 Cb -0.14 -3.16 -0.08 0.00 -0.11 0.00 0.00 41.96 38.46 3h5u s TYR 477 CO 0.88 -2.42 1.06 -1.54 -1.11 0.00 0.00 175.55 172.42 3h5u s SER 478 N -3.13 6.29 0.38 2.29 1.04 -1.21 -4.86 113.70 114.49 3h5u s SER 478 Ca 0.64 1.98 0.11 0.00 0.48 0.00 0.00 55.95 59.16 3h5u s SER 478 Cb -0.20 -2.57 0.89 0.00 0.10 0.00 0.00 66.02 64.25 3h5u s SER 478 CO 0.58 -0.82 1.89 -0.65 0.98 0.00 0.00 173.24 175.21 3h5u h PRO 479 N 1.61 0.59 -0.43 4.02 0.11 -1.95 -1.42 132.00 134.53 3h5u h PRO 479 Ca -0.49 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3h5u h PRO 479 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3h5u h PRO 479 CO 0.59 0.39 -0.21 0.78 -0.21 0.00 0.00 178.00 179.34 3h5u h GLY 480 N 0.61 0.93 0.83 -0.55 0.00 -1.99 -1.45 103.07 101.45 3h5u h GLY 480 Ca 0.42 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3h5u h GLY 480 CO -0.18 0.73 -0.26 -2.09 0.00 0.00 0.00 176.54 174.74 3h5u h GLU 481 N 0.75 0.49 -0.49 4.80 4.57 -1.77 -2.42 114.58 120.51 3h5u h GLU 481 Ca 0.10 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3h5u h GLU 481 Cb 0.75 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 3h5u h GLU 481 CO 0.06 0.88 0.24 0.82 -1.18 0.00 0.00 179.01 179.83 3h5u h ILE 482 N 0.14 0.94 -0.88 2.32 2.04 -1.29 -2.19 117.51 118.60 3h5u h ILE 482 Ca 0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3h5u h ILE 482 Cb 0.83 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3h5u h ILE 482 CO 0.06 0.09 0.50 0.78 0.00 0.00 0.00 178.15 179.58 3h5u h ASN 483 N 0.47 1.09 -0.47 1.72 4.21 -1.25 -0.71 115.58 120.63 3h5u h ASN 483 Ca 0.22 -0.09 -0.11 0.00 1.21 0.00 0.00 56.30 57.53 3h5u h ASN 483 Cb 0.14 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 3h5u h ASN 483 CO -0.16 0.86 -0.14 -0.09 -1.29 0.00 0.00 177.43 176.61 3h5u h ARG 484 N 1.23 0.93 0.39 0.81 2.43 -1.09 -0.99 114.38 118.08 3h5u h ARG 484 Ca 0.31 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3h5u h ARG 484 Cb -0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3h5u h ARG 484 CO -0.05 1.02 -0.19 0.28 -1.51 0.00 0.00 179.97 179.52 3h5u h VAL 485 N 0.77 0.62 -0.89 0.20 2.07 -1.24 -2.20 116.25 115.58 3h5u h VAL 485 Ca 0.12 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.55 3h5u h VAL 485 Cb 0.70 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 3h5u h VAL 485 CO 0.05 0.05 0.43 0.00 0.02 0.00 0.00 177.57 178.13 3h5u h ALA 486 N -0.13 1.39 -0.61 1.67 0.00 -1.06 -0.99 119.26 119.54 3h5u h ALA 486 Ca -0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h5u h ALA 486 Cb 0.49 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3h5u h ALA 486 CO 0.09 -0.21 0.36 0.77 0.00 0.00 0.00 179.25 180.26 3h5u h SER 487 N 0.53 0.74 -0.74 0.00 0.02 -1.11 -2.42 113.55 110.57 3h5u h SER 487 Ca 0.52 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3h5u h SER 487 Cb 0.88 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3h5u h SER 487 CO -0.44 0.59 0.47 0.00 -1.14 0.00 0.00 176.83 176.31 3h5u h LEU 489 N 1.01 0.82 -0.94 0.00 3.38 -1.26 -0.34 115.31 117.97 3h5u h LEU 489 Ca 0.27 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3h5u h LEU 489 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3h5u h LEU 489 CO -0.05 0.94 0.26 0.03 0.09 0.00 0.00 178.44 179.71 3h5u h ARG 490 N 0.68 1.03 -0.40 1.13 3.08 -1.26 0.17 114.38 118.80 3h5u h ARG 490 Ca 0.13 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3h5u h ARG 490 Cb 0.53 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3h5u h ARG 490 CO 0.03 0.85 0.09 -0.22 -1.07 0.00 0.00 179.97 179.65 3h5u h LYS 491 N 1.00 0.64 0.00 0.04 3.64 -0.37 -3.19 116.57 118.33 3h5u h LYS 491 Ca 0.23 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3h5u h LYS 491 Cb 0.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3h5u h LYS 491 CO -0.02 0.67 -0.45 1.28 -2.27 0.00 0.00 179.45 178.66 3h5u n LEU 492 N -4.56 0.45 -1.74 5.20 4.77 -0.21 -4.88 117.00 116.04 3h5u n LEU 492 Ca -0.00 0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3h5u n LEU 492 Cb 0.21 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3h5u n LEU 492 CO 0.38 0.10 0.08 0.61 -1.33 0.00 0.00 177.39 177.23 3h5u n GLY 493 N 1.49 0.32 3.84 -0.72 0.00 0.37 -1.71 105.19 108.79 3h5u n GLY 493 Ca 0.06 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3h5u n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h5u s VAL 494 N -3.12 5.06 0.50 1.61 1.01 0.02 -0.67 120.40 124.80 3h5u s VAL 494 Ca 0.15 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 3h5u s VAL 494 Cb -0.07 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 3h5u s VAL 494 CO 0.27 0.57 1.18 -2.65 0.00 0.00 0.00 175.10 174.48 3h5u n PRO 495 N 1.80 1.54 -1.08 2.72 -0.02 -1.25 -4.60 135.00 134.10 3h5u n PRO 495 Ca -0.14 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 3h5u n PRO 495 Cb 0.53 -2.33 0.12 0.00 -0.02 0.00 0.00 33.50 31.79 3h5u n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h5u s PRO 496 N -2.48 1.74 0.45 0.52 0.04 -1.26 -4.79 135.00 129.23 3h5u s PRO 496 Ca 0.67 1.24 0.11 0.00 0.04 0.00 0.00 61.00 63.06 3h5u s PRO 496 Cb -0.47 -1.83 1.03 0.00 0.04 0.00 0.00 34.50 33.26 3h5u s PRO 496 CO 0.53 -2.03 2.10 -0.07 0.04 0.00 0.00 177.00 177.57 3h5u h LEU 497 N -1.41 0.28 -1.29 -3.56 3.38 -1.99 -0.13 115.31 110.58 3h5u h LEU 497 Ca -0.44 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.59 3h5u h LEU 497 Cb 1.25 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3h5u h LEU 497 CO 0.49 0.20 0.53 0.08 0.09 0.00 0.00 178.44 179.83 3h5u h ARG 498 N 0.33 0.81 -0.46 1.13 0.11 -2.00 -0.58 114.38 113.71 3h5u h ARG 498 Ca 0.09 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 3h5u h ARG 498 Cb -0.03 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 30.84 3h5u h ARG 498 CO -0.02 0.54 0.12 0.28 0.10 0.00 0.00 179.97 180.99 3h5u h VAL 499 N 0.84 1.23 -0.30 0.08 2.07 -1.35 -2.86 116.25 115.95 3h5u h VAL 499 Ca 0.35 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3h5u h VAL 499 Cb 0.30 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3h5u h VAL 499 CO -0.13 0.29 -0.14 -0.50 0.02 0.00 0.00 177.57 177.10 3h5u h TRP 500 N 0.62 0.57 -0.49 1.57 4.06 -1.12 -2.19 115.95 118.97 3h5u h TRP 500 Ca 0.15 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 3h5u h TRP 500 Cb 0.31 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3h5u h TRP 500 CO 0.02 0.65 0.28 -0.09 -3.56 0.00 0.00 178.44 175.74 3h5u h ARG 501 N 0.49 0.68 0.02 0.49 2.43 -1.06 -0.38 114.38 117.05 3h5u h ARG 501 Ca 0.09 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3h5u h ARG 501 Cb 0.53 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3h5u h ARG 501 CO 0.03 0.52 -0.18 1.25 -1.51 0.00 0.00 179.97 180.08 3h5u h HIS 502 N 0.65 -0.48 -0.48 2.20 2.76 -1.23 -2.29 115.15 116.28 3h5u h HIS 502 Ca 0.17 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3h5u h HIS 502 Cb 0.03 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3h5u h HIS 502 CO -0.02 -0.26 0.21 0.00 -1.30 0.00 0.00 177.93 176.56 3h5u h ARG 503 N -0.31 0.68 -0.57 5.26 3.08 -1.31 -2.73 114.38 118.48 3h5u h ARG 503 Ca 0.05 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3h5u h ARG 503 Cb 0.37 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3h5u h ARG 503 CO -0.16 0.54 0.21 0.00 -1.07 0.00 0.00 179.97 179.50 3h5u h ALA 504 N 1.56 1.30 -0.69 0.04 0.00 -0.62 0.97 119.26 121.82 3h5u h ALA 504 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h5u h ALA 504 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h5u h ALA 504 CO -0.02 0.52 0.41 0.00 0.00 0.00 0.00 179.25 180.16 3h5u h ARG 505 N 0.82 0.94 0.27 0.00 3.08 -1.11 0.28 114.38 118.66 3h5u h ARG 505 Ca 0.19 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3h5u h ARG 505 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h5u h ARG 505 CO -0.01 0.67 -0.14 1.03 -1.07 0.00 0.00 179.97 180.45 3h5u h SER 506 N 0.94 -0.33 -0.87 7.04 0.87 -1.31 -0.76 113.55 119.13 3h5u h SER 506 Ca 0.25 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3h5u h SER 506 Cb -0.02 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 3h5u h SER 506 CO -0.05 -0.23 0.53 0.58 -0.53 0.00 0.00 176.83 177.13 3h5u h VAL 507 N -0.38 1.24 -0.15 2.23 2.07 -0.57 -0.68 116.25 120.02 3h5u h VAL 507 Ca -0.04 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3h5u h VAL 507 Cb 0.30 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3h5u h VAL 507 CO 0.06 0.25 0.09 -0.09 0.02 0.00 0.00 177.57 177.90 3h5u h ARG 508 N 1.19 0.20 -0.64 1.57 2.43 -0.38 -0.18 114.38 118.57 3h5u h ARG 508 Ca 0.31 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3h5u h ARG 508 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3h5u h ARG 508 CO -0.06 0.15 0.42 0.00 -1.51 0.00 0.00 179.97 178.97 3h5u h ALA 509 N 1.04 0.82 -0.36 2.80 0.00 -0.72 0.95 119.26 123.78 3h5u h ALA 509 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3h5u h ALA 509 Cb -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3h5u h ALA 509 CO -0.01 0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.57 3h5u h ARG 510 N 0.87 0.22 -0.43 0.00 3.08 -0.92 -0.61 114.38 116.57 3h5u h ARG 510 Ca 0.24 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3h5u h ARG 510 Cb -0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3h5u h ARG 510 CO -0.05 0.14 0.10 -0.07 -1.07 0.00 0.00 179.97 179.02 3h5u h LEU 511 N 0.22 0.66 -0.67 3.04 3.38 -0.63 -3.05 115.31 118.26 3h5u h LEU 511 Ca 0.17 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3h5u h LEU 511 Cb 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3h5u h LEU 511 CO -0.20 0.72 0.40 -0.07 0.09 0.00 0.00 178.44 179.38 3h5u h LEU 512 N 0.57 0.63 -0.99 1.67 3.38 -0.42 -2.39 115.31 117.76 3h5u h LEU 512 Ca 0.14 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.38 3h5u h LEU 512 Cb 0.32 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 3h5u h LEU 512 CO 0.00 0.43 0.57 0.28 0.09 0.00 0.00 178.44 179.81 3h5u h SER 513 N 0.77 0.61 1.38 -0.43 0.02 -1.01 -1.56 113.55 113.33 3h5u h SER 513 Ca 0.28 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3h5u h SER 513 Cb 0.08 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3h5u h SER 513 CO -0.13 0.04 0.00 1.56 -1.14 0.00 0.00 176.83 177.16 3h5u h GLN 514 N 0.51 0.00 0.00 3.45 4.20 -1.44 -3.49 115.11 118.34 3h5u h GLN 514 Ca 0.66 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.37 3h5u h GLN 514 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3h5u h GLN 514 CO -0.51 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.06 3h5u n GLY 515 N 0.83 -0.59 7.00 3.46 0.00 -0.59 -4.81 105.19 110.49 3h5u n GLY 515 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3h5u n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5u n GLY 516 N 0.00 1.98 0.18 -0.02 0.00 -1.26 -1.90 105.19 104.17 3h5u n GLY 516 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.61 3h5u n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5u h ARG 517 N 0.00 0.01 -0.73 1.61 3.08 -1.94 -2.08 114.38 114.33 3h5u h ARG 517 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3h5u h ARG 517 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3h5u h ARG 517 CO 0.00 0.39 0.44 0.00 -1.07 0.00 0.00 179.97 179.73 3h5u h ALA 518 N 1.61 0.93 -0.42 0.04 0.00 -1.81 -1.40 119.26 118.22 3h5u h ALA 518 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3h5u h ALA 518 Cb 0.68 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h5u h ALA 518 CO 0.05 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 179.39 3h5u h ALA 519 N 1.23 0.60 -0.78 0.00 0.00 -0.69 -0.85 119.26 118.77 3h5u h ALA 519 Ca 0.26 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.89 3h5u h ALA 519 Cb -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 3h5u h ALA 519 CO -0.05 0.65 0.34 1.15 0.00 0.00 0.00 179.25 181.34 3h5u h THR 520 N 0.78 0.68 -0.68 0.00 2.02 -1.33 0.82 112.91 115.20 3h5u h THR 520 Ca 0.08 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3h5u h THR 520 Cb 0.90 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3h5u h THR 520 CO 0.08 0.09 0.30 0.00 0.37 0.00 0.00 175.52 176.36 3h5u h GLY 522 N 0.95 -0.18 0.76 0.00 0.00 -0.27 -1.04 103.07 103.29 3h5u h GLY 522 Ca 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3h5u h GLY 522 CO -0.02 -0.07 -0.30 1.70 0.00 0.00 0.00 176.54 177.85 3h5u h LYS 523 N -0.26 -0.65 0.11 4.80 3.64 0.89 -2.96 116.57 122.15 3h5u h LYS 523 Ca -0.02 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 3h5u h LYS 523 Cb 0.21 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3h5u h LYS 523 CO 0.03 -0.43 -0.79 1.88 -2.27 0.00 0.00 179.45 177.87 3h5u h TYR 524 N -0.67 0.44 0.00 1.91 -1.99 -1.08 -3.14 116.97 112.44 3h5u h TYR 524 Ca -0.03 -0.32 -0.11 0.00 2.00 0.00 0.00 58.73 60.26 3h5u h TYR 524 Cb 0.59 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 3h5u h TYR 524 CO -0.15 1.30 -0.53 -0.07 -0.00 0.00 0.00 178.16 178.71 3h5u h LEU 525 N -0.47 0.00 -3.01 3.88 3.38 -1.32 -3.32 115.31 114.46 3h5u h LEU 525 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3h5u h LEU 525 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3h5u h LEU 525 CO 0.11 0.53 0.00 0.49 0.09 0.00 0.00 178.44 179.66 3h5u n PHE 526 N -3.72 0.04 0.02 1.13 3.72 -1.12 -4.63 117.46 112.90 3h5u n PHE 526 Ca -0.01 -0.89 0.12 0.00 -0.05 0.00 0.00 57.45 56.62 3h5u n PHE 526 Cb 0.58 -0.14 0.57 0.00 -0.94 0.00 0.00 39.48 39.55 3h5u n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h5u h ASN 527 N 0.08 0.21 -0.01 4.37 -1.24 -1.64 -0.01 115.58 117.33 3h5u h ASN 527 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3h5u h ASN 527 Cb 0.92 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.92 3h5u h ASN 527 CO 0.01 0.13 0.04 4.11 -1.29 0.00 0.00 177.43 180.43 3h5u h TRP 528 N 0.23 0.00 0.00 0.67 5.08 -1.82 -2.99 115.95 117.13 3h5u h TRP 528 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.17 3h5u h TRP 528 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 3h5u h TRP 528 CO -0.00 0.00 -0.26 0.00 -1.28 0.00 0.00 178.44 176.90 3h5u n ALA 529 N -2.11 2.54 -2.56 0.11 0.00 -0.02 -4.84 120.51 113.63 3h5u n ALA 529 Ca -0.03 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 3h5u n ALA 529 Cb 0.11 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 3h5u n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h5u s VAL 530 N -3.13 3.39 0.02 0.00 -7.23 -1.13 -4.75 120.40 107.57 3h5u s VAL 530 Ca 0.09 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.09 3h5u s VAL 530 Cb 0.13 -2.48 -0.18 0.00 0.56 0.00 0.00 36.38 34.40 3h5u s VAL 530 CO 0.65 0.33 1.21 0.07 -0.31 0.00 0.00 175.10 177.06 3h5u h LYS 531 N 4.37 0.37 -5.82 4.82 2.10 -1.88 -3.35 116.57 117.18 3h5u h LYS 531 Ca -0.48 -0.28 -0.67 0.00 -2.00 0.00 0.00 60.65 57.21 3h5u h LYS 531 Cb 1.16 0.05 -0.09 0.00 -0.90 0.00 0.00 32.23 32.46 3h5u h LYS 531 CO 0.52 0.91 2.05 0.99 -2.00 0.00 0.00 179.45 181.92 3h5u s THR 532 N -3.74 4.16 0.28 0.07 2.01 -1.26 -4.97 115.64 112.19 3h5u s THR 532 Ca -0.14 -1.81 -0.29 0.00 0.31 0.00 0.00 61.69 59.76 3h5u s THR 532 Cb 0.04 -5.16 -0.10 0.00 0.01 0.00 0.00 72.50 67.30 3h5u s THR 532 CO 0.78 -1.99 1.24 -0.54 -0.69 0.00 0.00 174.62 173.42 3h5u s LYS 533 N 4.15 4.46 0.64 4.92 3.01 -1.26 -5.04 119.74 130.63 3h5u s LYS 533 Ca 0.52 2.04 -0.11 0.00 -1.01 0.00 0.00 55.97 57.40 3h5u s LYS 533 Cb 0.03 -3.14 -0.02 0.00 -1.01 0.00 0.00 37.83 33.69 3h5u s LYS 533 CO 0.05 -0.07 1.04 -0.51 0.51 0.00 0.00 175.35 176.37 3h5u s LEU 534 N -1.29 3.23 -0.40 3.17 1.02 -1.26 -5.03 118.68 118.12 3h5u s LEU 534 Ca 0.49 1.54 -0.23 0.00 0.02 0.00 0.00 54.13 55.94 3h5u s LEU 534 Cb -0.36 -4.49 0.02 0.00 0.02 0.00 0.00 46.19 41.38 3h5u s LEU 534 CO 0.46 -1.11 0.79 -0.75 0.02 0.00 0.00 176.35 175.75 3h5u s LYS 535 N -4.99 3.63 -0.15 1.70 2.47 -1.26 -5.04 119.74 116.10 3h5u s LYS 535 Ca 0.57 0.18 -0.18 0.00 -1.56 0.00 0.00 55.97 54.98 3h5u s LYS 535 Cb -0.12 -3.85 -0.04 0.00 -1.46 0.00 0.00 37.83 32.35 3h5u s LYS 535 CO 0.52 -0.95 0.48 -0.51 0.16 0.00 0.00 175.35 175.04 3h5u s LEU 536 N 3.20 4.22 0.29 5.43 1.43 -1.26 -5.07 118.68 126.93 3h5u s LEU 536 Ca 0.31 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 3h5u s LEU 536 Cb -0.13 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.36 3h5u s LEU 536 CO 0.19 -0.06 -0.08 0.42 0.23 0.00 0.00 176.35 177.05 3h5u s THR 537 N 0.99 1.85 0.26 5.49 -4.23 -1.26 -5.10 115.64 113.64 3h5u s THR 537 Ca 0.24 -2.17 -0.30 0.00 -1.18 0.00 0.00 61.69 58.28 3h5u s THR 537 Cb -0.15 -2.46 -0.13 0.00 1.34 0.00 0.00 72.50 71.09 3h5u s THR 537 CO 0.10 -0.30 1.31 -2.65 -0.54 0.00 0.00 174.62 172.53 3h5u n PRO 538 N -0.63 1.90 -2.79 3.99 -0.02 -1.26 -4.91 135.00 131.28 3h5u n PRO 538 Ca -0.05 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3h5u n PRO 538 Cb 0.63 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3h5u n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5u s ILE 539 N -0.44 4.79 0.22 4.25 1.01 -1.26 -4.96 121.20 124.81 3h5u s ILE 539 Ca 0.64 1.79 -0.08 0.00 0.00 0.00 0.00 60.65 63.01 3h5u s ILE 539 Cb -0.65 -4.21 0.19 0.00 0.01 0.00 0.00 42.46 37.80 3h5u s ILE 539 CO 0.54 -0.08 1.70 -0.65 0.00 0.00 0.00 174.94 176.45 3h5u h PRO 540 N 7.46 0.26 0.00 2.79 0.11 -2.04 -0.97 132.00 139.61 3h5u h PRO 540 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3h5u h PRO 540 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3h5u h PRO 540 CO 0.90 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.86 3h5u n ALA 541 N -2.62 1.33 -0.03 -0.75 0.00 -1.26 -2.73 120.51 114.44 3h5u n ALA 541 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 3h5u n ALA 541 Cb 0.37 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 3h5u n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h5u h ALA 542 N 2.21 0.01 0.00 0.00 0.00 -1.49 -2.06 119.26 117.93 3h5u h ALA 542 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3h5u h ALA 542 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h5u h ALA 542 CO 0.00 -0.15 -0.01 0.66 0.00 0.00 0.00 179.25 179.75 3h5u h SER 543 N -0.64 0.00 1.52 0.00 4.64 -1.64 -2.08 113.55 115.35 3h5u h SER 543 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h5u h SER 543 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3h5u h SER 543 CO 0.00 0.01 -0.42 0.03 -0.87 0.00 0.00 176.83 175.58 3h5u h ARG 544 N 0.00 0.00 -6.89 4.77 2.47 -1.57 -3.47 114.38 109.70 3h5u h ARG 544 Ca -0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 3h5u h ARG 544 Cb 0.15 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 28.56 3h5u h ARG 544 CO 0.00 0.00 0.78 -0.51 0.56 0.00 0.00 179.97 180.80 3h5u s LEU 545 N -5.67 4.35 -1.11 3.04 1.43 -0.78 -4.94 118.68 114.99 3h5u s LEU 545 Ca 0.04 2.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 3h5u s LEU 545 Cb 0.08 -3.65 0.23 0.00 0.03 0.00 0.00 46.19 42.87 3h5u s LEU 545 CO 0.72 -0.81 1.19 -0.62 0.23 0.00 0.00 176.35 177.05 3h5u s ASP 546 N -0.01 7.16 -0.12 2.29 2.15 -1.26 -4.82 116.67 122.06 3h5u s ASP 546 Ca 0.55 -3.24 0.02 0.00 0.43 0.00 0.00 52.55 50.32 3h5u s ASP 546 Cb -0.45 -2.28 0.23 0.00 -0.30 0.00 0.00 42.92 40.12 3h5u s ASP 546 CO 0.56 -0.50 1.15 0.18 -0.17 0.00 0.00 175.17 176.39 3h5u n LEU 547 N 3.99 3.58 -4.77 -1.34 4.32 -1.26 -4.84 117.00 116.68 3h5u n LEU 547 Ca 0.27 -1.84 -0.37 0.00 -0.02 0.00 0.00 56.01 54.05 3h5u n LEU 547 Cb 0.42 -0.59 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 3h5u n LEU 547 CO 0.51 0.56 0.81 -0.94 -1.22 0.00 0.00 177.39 177.11 3h5u s SER 548 N 0.08 6.49 0.00 -1.43 1.04 -1.26 -2.83 113.70 115.79 3h5u s SER 548 Ca 0.18 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3h5u s SER 548 Cb 0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3h5u s SER 548 CO 0.04 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3h5u n GLY 549 N 0.52 1.52 3.63 7.32 0.00 -1.26 -5.02 105.19 111.89 3h5u n GLY 549 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3h5u n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h5u s TRP 550 N -3.14 3.24 -1.20 1.61 0.52 -1.13 -4.66 118.94 114.19 3h5u s TRP 550 Ca 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 56.10 56.15 3h5u s TRP 550 Cb 0.00 -2.06 0.00 0.00 -1.15 0.00 0.00 33.47 30.27 3h5u s TRP 550 CO 0.00 0.17 1.02 1.19 0.02 0.00 0.00 176.95 179.34 3h5u n PHE 551 N 3.45 -2.32 -0.11 -1.98 3.72 -1.26 -4.92 117.46 114.04 3h5u n PHE 551 Ca -0.17 0.92 -0.19 0.00 -0.05 0.00 0.00 57.45 57.97 3h5u n PHE 551 Cb 0.52 -4.93 -0.06 0.00 -0.94 0.00 0.00 39.48 34.07 3h5u n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h5u n VAL 552 N -4.30 1.47 -4.09 -4.37 0.31 -1.25 -4.40 118.33 101.71 3h5u n VAL 552 Ca -0.18 -0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 63.89 3h5u n VAL 552 Cb 0.63 -2.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.43 3h5u n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5u s ALA 553 N -2.67 0.71 0.06 3.52 0.00 -1.25 -4.04 121.76 118.09 3h5u s ALA 553 Ca -0.32 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.19 3h5u s ALA 553 Cb 0.09 1.18 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 3h5u s ALA 553 CO 0.44 -0.78 0.10 0.20 0.00 0.00 0.00 175.76 175.72 3h5u s GLY 554 N -3.20 2.05 -0.00 0.00 0.00 -1.26 -4.91 107.32 100.00 3h5u s GLY 554 Ca 0.31 -0.96 0.20 0.00 0.00 0.00 0.00 44.72 44.26 3h5u s GLY 554 CO 0.18 -0.92 1.13 -1.72 0.00 0.00 0.00 173.10 171.77 3h5u n TYR 555 N 0.54 0.00 -1.78 1.90 4.01 0.01 -4.54 117.16 117.30 3h5u n TYR 555 Ca -0.09 -0.52 -0.42 0.00 -0.16 0.00 0.00 57.90 56.72 3h5u n TYR 555 Cb 0.52 0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 3h5u n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h5u s SER 556 N -1.77 6.50 0.00 7.72 0.15 -1.26 -0.85 113.70 124.19 3h5u s SER 556 Ca 0.26 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.52 3h5u s SER 556 Cb 0.29 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3h5u s SER 556 CO -0.13 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 173.93 3h5u n GLY 557 N 4.28 0.82 0.91 9.45 0.00 -1.26 -4.14 105.19 115.25 3h5u n GLY 557 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3h5u n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5u n GLY 558 N -2.15 0.99 3.52 -0.02 0.00 -0.03 -2.78 105.19 104.72 3h5u n GLY 558 Ca 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 3h5u n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h5u n ASP 559 N 1.15 -3.04 -4.54 1.61 2.03 -1.26 -4.56 116.55 107.94 3h5u n ASP 559 Ca 0.16 -0.63 -0.34 0.00 0.52 0.00 0.00 54.79 54.51 3h5u n ASP 559 Cb 0.55 -4.95 -0.12 0.00 -0.72 0.00 0.00 41.12 35.88 3h5u n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h5u s ILE 560 N -3.38 3.66 -0.01 5.18 -1.09 -1.26 -4.34 121.20 119.95 3h5u s ILE 560 Ca 0.16 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 3h5u s ILE 560 Cb -0.07 -2.52 -0.00 0.00 -1.58 0.00 0.00 42.46 38.28 3h5u s ILE 560 CO 0.74 0.57 -0.09 -0.47 -1.23 0.00 0.00 174.94 174.46 3h5u s TYR 561 N -0.40 0.84 -0.06 3.97 5.04 0.46 -0.78 117.35 126.42 3h5u s TYR 561 Ca 0.06 -0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.54 3h5u s TYR 561 Cb -0.12 -0.56 0.01 0.00 0.35 0.00 0.00 41.96 41.64 3h5u s TYR 561 CO 0.02 -0.03 -0.12 -1.01 -1.34 0.00 0.00 175.55 173.07 3h5u s HIS 562 N -0.11 1.38 -2.00 4.97 3.76 0.11 -4.58 115.29 118.82 3h5u s HIS 562 Ca 0.02 -0.49 0.21 0.00 -0.15 0.00 0.00 55.06 54.65 3h5u s HIS 562 Cb -0.05 -1.02 1.26 0.00 1.11 0.00 0.00 32.58 33.88 3h5u s HIS 562 CO -0.00 -0.26 1.64 0.43 -0.85 0.00 0.00 174.74 175.70