#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5m s MET 2 N 0.00 4.59 0.22 4.33 1.00 -1.26 -1.38 119.30 126.80 3d5m s MET 2 Ca 0.00 1.86 -0.09 0.00 0.00 0.00 0.00 55.69 57.46 3d5m s MET 2 Cb 0.00 -3.18 0.18 0.00 0.00 0.00 0.00 34.83 31.83 3d5m s MET 2 CO 0.00 0.12 1.86 0.66 0.00 0.00 0.00 175.02 177.67 3d5m h SER 3 N 3.97 0.99 -5.08 3.03 4.64 -1.43 -3.39 113.55 116.28 3d5m h SER 3 Ca -0.47 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 60.64 3d5m h SER 3 Cb 1.21 -0.25 -0.19 0.00 -0.31 0.00 0.00 62.40 62.87 3d5m h SER 3 CO 0.68 0.76 -0.69 -0.31 -0.87 0.00 0.00 176.83 176.40 3d5m s TYR 4 N -5.98 0.37 -0.02 4.77 2.02 -1.26 -0.12 117.35 117.12 3d5m s TYR 4 Ca -0.13 -0.74 0.07 0.00 -0.37 0.00 0.00 57.07 55.91 3d5m s TYR 4 Cb 0.16 -0.27 -0.02 0.00 -0.40 0.00 0.00 41.96 41.43 3d5m s TYR 4 CO 0.80 -0.26 -0.24 0.99 -1.57 0.00 0.00 175.55 175.27 3d5m s THR 5 N -2.41 2.20 -0.01 -0.71 2.01 -0.40 -4.84 115.64 111.48 3d5m s THR 5 Ca -0.07 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 60.93 3d5m s THR 5 Cb -0.03 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 3d5m s THR 5 CO -0.04 0.57 -0.25 0.26 -0.69 0.00 0.00 174.62 174.46 3d5m s TRP 6 N -0.64 2.35 -0.09 4.92 0.52 -1.26 -1.04 118.94 123.70 3d5m s TRP 6 Ca 0.10 -0.42 0.14 0.00 0.02 0.00 0.00 56.10 55.94 3d5m s TRP 6 Cb -0.10 -1.50 -0.09 0.00 -1.15 0.00 0.00 33.47 30.64 3d5m s TRP 6 CO -0.01 -0.01 1.10 1.79 0.02 0.00 0.00 176.95 179.84 3d5m h THR 7 N 4.45 0.86 0.00 2.01 1.35 -1.48 -3.47 112.91 116.63 3d5m h THR 7 Ca -0.44 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 3d5m h THR 7 Cb 1.12 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 3d5m h THR 7 CO 0.47 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 3d5m n GLY 8 N 1.35 1.23 3.65 5.82 0.00 -1.26 -5.07 105.19 110.91 3d5m n GLY 8 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3d5m n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m n ALA 9 N -0.07 0.69 -2.15 4.61 0.00 -1.26 -4.96 120.51 117.38 3d5m n ALA 9 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 3d5m n ALA 9 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.25 3d5m n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d5m s LEU 10 N -0.75 3.88 -0.31 0.00 1.43 -1.26 -4.84 118.68 116.84 3d5m s LEU 10 Ca 0.59 1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 54.62 3d5m s LEU 10 Cb -0.58 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 41.59 3d5m s LEU 10 CO 0.59 -0.36 1.03 -0.63 0.23 0.00 0.00 176.35 177.21 3d5m s ILE 11 N -2.28 4.57 0.06 -0.59 1.01 -1.26 -4.81 121.20 117.90 3d5m s ILE 11 Ca 0.53 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.90 3d5m s ILE 11 Cb -0.10 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 3d5m s ILE 11 CO 0.27 -0.42 -0.02 0.42 0.00 0.00 0.00 174.94 175.20 3d5m s THR 12 N 3.50 3.90 0.74 2.92 -4.23 -1.26 -4.79 115.64 116.43 3d5m s THR 12 Ca 0.43 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.90 3d5m s THR 12 Cb -0.13 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 70.94 3d5m s THR 12 CO 0.14 0.20 1.12 -2.16 -0.54 0.00 0.00 174.62 173.38 3d5m s PRO 13 N -2.04 2.47 -0.13 3.99 0.04 -1.26 -4.26 135.00 133.81 3d5m s PRO 13 Ca 0.23 0.26 0.12 0.00 0.04 0.00 0.00 61.00 61.65 3d5m s PRO 13 Cb -0.11 -2.01 -0.24 0.00 0.04 0.00 0.00 34.50 32.18 3d5m s PRO 13 CO 0.15 -1.26 0.34 0.00 0.04 0.00 0.00 177.00 176.27 3d5m s ALA 15 N -2.55 1.34 0.52 0.00 0.00 -1.26 -5.14 121.76 114.68 3d5m s ALA 15 Ca -0.11 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 49.92 3d5m s ALA 15 Cb 0.07 1.17 -0.07 0.00 0.00 0.00 0.00 23.12 24.28 3d5m s ALA 15 CO 0.80 -0.52 1.00 0.00 0.00 0.00 0.00 175.76 177.04 3d5m n ALA 16 N -0.32 0.26 -3.59 0.00 0.00 -1.26 -4.99 120.51 110.62 3d5m n ALA 16 Ca 0.00 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 3d5m n ALA 16 Cb 0.66 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 17.83 3d5m n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d5m s GLU 17 N -2.43 3.05 -0.06 0.00 2.02 -1.26 -5.11 118.70 114.92 3d5m s GLU 17 Ca 0.70 -0.84 -0.21 0.00 0.02 0.00 0.00 54.97 54.64 3d5m s GLU 17 Cb -0.47 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 3d5m s GLU 17 CO 0.52 0.01 0.60 -1.21 0.02 0.00 0.00 175.26 175.20 3d5m s GLU 18 N 0.76 4.36 -0.05 1.61 2.02 -1.26 -4.95 118.70 121.19 3d5m s GLU 18 Ca -0.08 0.71 0.08 0.00 0.02 0.00 0.00 54.97 55.70 3d5m s GLU 18 Cb -0.16 -3.40 -0.12 0.00 0.10 0.00 0.00 34.13 30.55 3d5m s GLU 18 CO -0.00 0.21 0.10 -1.13 0.02 0.00 0.00 175.26 174.45 3d5m n SER 19 N 3.33 2.99 -4.78 -0.19 3.41 -1.26 -4.60 113.62 112.52 3d5m n SER 19 Ca -0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.17 3d5m n SER 19 Cb 0.51 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.40 3d5m n SER 19 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3d5m s LYS 20 N -2.37 4.49 -0.17 4.33 2.20 -1.26 -0.68 119.74 126.27 3d5m s LYS 20 Ca -0.04 1.06 -0.31 0.00 -0.36 0.00 0.00 55.97 56.32 3d5m s LYS 20 Cb 0.04 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 3d5m s LYS 20 CO 0.35 0.55 2.10 -0.11 -0.36 0.00 0.00 175.35 177.88 3d5m n LEU 21 N 1.77 3.24 -4.77 5.43 7.94 -1.25 -4.90 117.00 124.46 3d5m n LEU 21 Ca -0.06 0.52 -0.40 0.00 -1.11 0.00 0.00 56.01 54.96 3d5m n LEU 21 Cb 0.49 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 42.97 3d5m n LEU 21 CO 0.45 -0.41 1.00 -2.84 -1.11 0.00 0.00 177.39 174.48 3d5m s PRO 22 N 5.54 4.23 -0.09 1.96 0.02 -1.26 -5.02 135.00 140.37 3d5m s PRO 22 Ca 0.99 2.27 0.04 0.00 0.02 0.00 0.00 61.00 64.32 3d5m s PRO 22 Cb -0.53 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.01 3d5m s PRO 22 CO 0.43 -0.31 -0.23 0.42 -0.33 0.00 0.00 177.00 176.97 3d5m s ILE 23 N -1.16 1.98 0.00 2.83 -1.09 -1.26 -4.68 121.20 117.82 3d5m s ILE 23 Ca 0.51 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3d5m s ILE 23 Cb -0.41 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.77 3d5m s ILE 23 CO 0.54 0.54 0.00 -0.46 -1.23 0.00 0.00 174.94 174.33 3d5m n ASN 24 N 3.45 0.90 0.29 3.58 0.23 -1.26 -5.02 115.26 117.43 3d5m n ASN 24 Ca -0.19 -0.62 0.18 0.00 -0.53 0.00 0.00 54.58 53.42 3d5m n ASN 24 Cb 0.53 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.03 3d5m n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d5m h ALA 25 N 1.00 1.03 0.00 -2.53 0.00 -2.00 -2.95 119.26 113.82 3d5m h ALA 25 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3d5m h ALA 25 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d5m h ALA 25 CO 0.00 0.04 -0.86 -0.07 0.00 0.00 0.00 179.25 178.36 3d5m h LEU 26 N 0.00 0.00 -0.26 0.00 3.38 -1.96 -3.41 115.31 113.06 3d5m h LEU 26 Ca -0.00 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3d5m h LEU 26 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3d5m h LEU 26 CO 0.00 0.01 -0.22 0.28 0.09 0.00 0.00 178.44 178.60 3d5m h SER 27 N 0.00 -0.72 0.17 -0.43 0.02 -1.88 -2.77 113.55 107.95 3d5m h SER 27 Ca 0.00 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3d5m h SER 27 Cb 0.97 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3d5m h SER 27 CO 0.00 -0.26 -0.18 0.78 -1.14 0.00 0.00 176.83 176.03 3d5m h ASN 28 N -0.22 0.03 0.05 3.07 2.35 -1.80 -1.03 115.58 118.03 3d5m h ASN 28 Ca 0.14 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3d5m h ASN 28 Cb 0.44 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3d5m h ASN 28 CO -0.38 0.21 -0.02 0.77 -1.65 0.00 0.00 177.43 176.36 3d5m h SER 29 N 0.03 0.00 0.05 5.81 4.64 -1.78 -3.07 113.55 119.22 3d5m h SER 29 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3d5m h SER 29 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 3d5m h SER 29 CO 0.02 0.02 -2.18 -0.11 -0.87 0.00 0.00 176.83 173.71 3d5m n LEU 30 N -3.75 2.61 -3.63 5.97 7.94 -0.48 -4.61 117.00 121.06 3d5m n LEU 30 Ca -0.03 0.11 -0.02 0.00 -1.11 0.00 0.00 56.01 54.97 3d5m n LEU 30 Cb 0.10 -0.99 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 3d5m n LEU 30 CO 0.27 0.79 0.30 -0.22 -1.11 0.00 0.00 177.39 177.43 3d5m s LEU 31 N -6.98 -1.07 -0.07 -1.96 0.20 -0.67 -4.17 118.68 103.94 3d5m s LEU 31 Ca -0.30 1.50 -0.03 0.00 0.69 0.00 0.00 54.13 56.00 3d5m s LEU 31 Cb 0.08 2.26 -0.26 0.00 -0.43 0.00 0.00 46.19 47.85 3d5m s LEU 31 CO 0.65 -0.21 0.55 0.03 -0.29 0.00 0.00 176.35 177.07 3d5m h ARG 32 N 7.82 0.22 -4.36 1.98 3.08 -0.85 -3.35 114.38 118.92 3d5m h ARG 32 Ca -0.19 -0.38 -0.72 0.00 0.07 0.00 0.00 59.98 58.75 3d5m h ARG 32 Cb 1.12 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 31.21 3d5m h ARG 32 CO 0.11 1.06 2.37 0.72 -1.07 0.00 0.00 179.97 183.16 3d5m n HIS 33 N -3.40 3.82 -0.10 3.04 8.25 -0.61 -4.79 115.22 121.43 3d5m n HIS 33 Ca -0.25 -2.95 -0.05 0.00 -0.26 0.00 0.00 57.72 54.21 3d5m n HIS 33 Cb 1.05 -2.35 0.15 0.00 1.12 0.00 0.00 29.99 29.96 3d5m n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3d5m h HIS 34 N 6.42 0.83 0.00 4.41 3.86 -1.85 -2.79 115.15 126.02 3d5m h HIS 34 Ca 0.46 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3d5m h HIS 34 Cb 0.72 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3d5m h HIS 34 CO 1.34 0.79 0.00 0.27 0.86 0.00 0.00 177.93 181.19 3d5m n ASN 35 N -4.20 0.00 0.24 2.45 6.94 -1.26 -1.58 115.26 117.86 3d5m n ASN 35 Ca 0.02 0.48 0.15 0.00 -0.02 0.00 0.00 54.58 55.22 3d5m n ASN 35 Cb 0.33 -0.49 0.52 0.00 -2.36 0.00 0.00 39.78 37.77 3d5m n ASN 35 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3d5m h MET 36 N 0.00 0.00 -5.45 -3.83 2.86 -1.90 -3.45 114.93 103.16 3d5m h MET 36 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3d5m h MET 36 Cb 0.23 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.73 3d5m h MET 36 CO 0.00 0.00 -0.58 0.08 1.06 0.00 0.00 176.91 177.47 3d5m s VAL 37 N -3.49 4.62 0.07 -2.22 1.01 -0.61 0.65 120.40 120.44 3d5m s VAL 37 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3d5m s VAL 37 Cb 0.08 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3d5m s VAL 37 CO 0.57 0.51 0.12 -0.72 0.00 0.00 0.00 175.10 175.58 3d5m s TYR 38 N -0.01 0.26 0.05 5.22 1.13 -0.92 -3.80 117.35 119.27 3d5m s TYR 38 Ca 0.05 -0.71 0.06 0.00 -1.41 0.00 0.00 57.07 55.05 3d5m s TYR 38 Cb -0.12 -0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.55 3d5m s TYR 38 CO 0.01 -0.49 -0.12 0.00 -2.51 0.00 0.00 175.55 172.44 3d5m s ALA 39 N -3.82 2.83 0.51 9.51 0.00 0.15 -1.32 121.76 129.62 3d5m s ALA 39 Ca 0.05 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 3d5m s ALA 39 Cb 0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 3d5m s ALA 39 CO -0.10 0.60 1.15 0.95 0.00 0.00 0.00 175.76 178.36 3d5m s THR 40 N -1.03 3.13 0.29 0.00 -4.23 0.06 -4.49 115.64 109.37 3d5m s THR 40 Ca 0.17 0.76 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 3d5m s THR 40 Cb -0.11 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.33 3d5m s THR 40 CO 0.08 -0.10 -0.00 0.42 -0.54 0.00 0.00 174.62 174.49 3d5m s THR 41 N -1.67 1.35 0.65 3.99 -4.23 -1.26 -4.08 115.64 110.38 3d5m s THR 41 Ca 0.69 -2.05 0.31 0.00 -1.18 0.00 0.00 61.69 59.46 3d5m s THR 41 Cb -0.26 -2.57 0.33 0.00 1.34 0.00 0.00 72.50 71.34 3d5m s THR 41 CO 0.30 -0.19 1.99 0.77 -0.54 0.00 0.00 174.62 176.95 3d5m h SER 42 N 2.25 0.00 0.59 3.99 4.64 -1.87 -2.17 113.55 120.98 3d5m h SER 42 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3d5m h SER 42 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3d5m h SER 42 CO 0.68 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 3d5m n ARG 43 N -3.08 0.02 -0.27 4.77 3.00 -1.26 -1.42 116.66 118.43 3d5m n ARG 43 Ca -0.01 0.23 0.09 0.00 -0.01 0.00 0.00 57.85 58.15 3d5m n ARG 43 Cb 0.37 -1.53 0.23 0.00 0.00 0.00 0.00 32.46 31.53 3d5m n ARG 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3d5m n SER 44 N -1.57 3.41 -0.02 0.55 3.41 -0.81 -4.63 113.62 113.96 3d5m n SER 44 Ca 0.04 -1.99 -0.01 0.00 -0.26 0.00 0.00 58.87 56.65 3d5m n SER 44 Cb 0.20 -0.35 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 3d5m n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d5m h ALA 45 N 3.15 1.33 -0.62 7.33 0.00 -1.38 -2.34 119.26 126.73 3d5m h ALA 45 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3d5m h ALA 45 Cb 0.86 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3d5m h ALA 45 CO 0.00 0.46 0.41 0.78 0.00 0.00 0.00 179.25 180.90 3d5m h GLY 46 N 0.86 0.78 1.19 0.00 0.00 -1.82 0.19 103.07 104.27 3d5m h GLY 46 Ca 0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 3d5m h GLY 46 CO 0.01 0.20 -0.23 1.41 0.00 0.00 0.00 176.54 177.92 3d5m h LEU 47 N 0.63 0.94 -0.05 3.11 3.38 -1.77 -2.81 115.31 118.75 3d5m h LEU 47 Ca 0.27 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3d5m h LEU 47 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d5m h LEU 47 CO -0.08 1.13 -0.03 -0.09 0.09 0.00 0.00 178.44 179.46 3d5m h ARG 48 N 0.79 0.11 -0.65 1.13 9.65 -1.23 -3.16 114.38 121.02 3d5m h ARG 48 Ca 0.10 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.06 3d5m h ARG 48 Cb 0.79 -0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.25 3d5m h ARG 48 CO 0.07 0.53 -0.19 1.96 2.80 0.00 0.00 179.97 185.13 3d5m h GLN 49 N -0.32 -0.03 -0.54 0.20 4.20 -0.70 -0.24 115.11 117.69 3d5m h GLN 49 Ca 0.01 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.83 3d5m h GLN 49 Cb 0.50 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.19 3d5m h GLN 49 CO 0.01 -0.02 -0.16 -0.22 -0.67 0.00 0.00 178.83 177.76 3d5m h LYS 50 N -0.03 -0.03 0.00 1.46 3.64 -1.51 -2.73 116.57 117.36 3d5m h LYS 50 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3d5m h LYS 50 Cb 0.50 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3d5m h LYS 50 CO -0.68 -0.02 -0.31 1.57 -2.27 0.00 0.00 179.45 177.74 3d5m h LYS 51 N -0.03 0.00 -0.06 1.90 2.10 -1.04 -3.12 116.57 116.32 3d5m h LYS 51 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3d5m h LYS 51 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 3d5m h LYS 51 CO -0.57 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.21 3d5m n VAL 52 N -2.79 0.06 -3.56 0.07 0.24 -0.63 -4.80 118.33 106.92 3d5m n VAL 52 Ca 0.03 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.34 61.60 3d5m n VAL 52 Cb 0.51 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.44 3d5m n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3d5m s THR 53 N -1.94 4.23 0.19 3.34 2.01 -1.04 -4.65 115.64 117.78 3d5m s THR 53 Ca 0.36 -1.67 -0.15 0.00 0.31 0.00 0.00 61.69 60.54 3d5m s THR 53 Cb 0.20 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 69.00 3d5m s THR 53 CO 0.32 -0.70 0.45 0.72 -0.69 0.00 0.00 174.62 174.72 3d5m s PHE 54 N 1.38 0.09 0.16 4.92 -0.12 -1.26 -4.96 117.98 118.18 3d5m s PHE 54 Ca 0.05 -0.44 -0.27 0.00 -0.05 0.00 0.00 56.93 56.22 3d5m s PHE 54 Cb -0.25 0.24 -0.08 0.00 -0.63 0.00 0.00 43.02 42.31 3d5m s PHE 54 CO 0.00 -0.87 0.84 0.34 -0.05 0.00 0.00 175.22 175.47 3d5m s ASP 55 N -2.92 7.44 -0.13 1.98 2.15 -1.26 -1.15 116.67 122.77 3d5m s ASP 55 Ca 0.13 1.70 -0.03 0.00 0.43 0.00 0.00 52.55 54.78 3d5m s ASP 55 Cb 0.00 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3d5m s ASP 55 CO -0.00 0.13 -0.03 -0.13 -0.17 0.00 0.00 175.17 174.97 3d5m s ARG 56 N -0.84 3.46 0.06 4.34 3.00 -0.48 -4.93 118.95 123.56 3d5m s ARG 56 Ca 0.39 -0.50 0.09 0.00 0.00 0.00 0.00 55.73 55.70 3d5m s ARG 56 Cb -0.23 -2.86 -0.03 0.00 0.00 0.00 0.00 34.95 31.82 3d5m s ARG 56 CO 0.28 0.37 -0.22 -0.51 0.00 0.00 0.00 175.30 175.21 3d5m s LEU 57 N 0.03 2.43 -0.07 2.53 1.43 -1.26 -2.69 118.68 121.07 3d5m s LEU 57 Ca 0.01 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3d5m s LEU 57 Cb -0.13 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.72 3d5m s LEU 57 CO 0.03 0.24 0.14 -1.58 0.23 0.00 0.00 176.35 175.41 3d5m s GLN 58 N -1.52 0.06 -0.21 1.70 0.74 -1.26 -3.97 119.66 115.21 3d5m s GLN 58 Ca 0.14 0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.97 3d5m s GLN 58 Cb -0.10 -0.22 0.04 0.00 1.10 0.00 0.00 33.01 33.84 3d5m s GLN 58 CO 0.05 -0.21 -0.10 0.08 -0.55 0.00 0.00 175.29 174.56 3d5m s VAL 59 N 1.49 1.69 -0.15 1.34 1.01 0.20 -5.03 120.40 120.95 3d5m s VAL 59 Ca -0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 3d5m s VAL 59 Cb -0.12 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3d5m s VAL 59 CO -0.06 0.14 -0.06 -0.76 0.00 0.00 0.00 175.10 174.37 3d5m s LEU 60 N 1.37 3.13 0.00 3.92 1.43 -1.26 -4.36 118.68 122.91 3d5m s LEU 60 Ca -0.02 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3d5m s LEU 60 Cb -0.17 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3d5m s LEU 60 CO -0.08 0.17 0.03 -0.90 0.23 0.00 0.00 176.35 175.81 3d5m n ASP 61 N 3.50 2.45 -0.30 2.29 5.75 -1.26 -5.00 116.55 123.98 3d5m n ASP 61 Ca -0.18 -1.95 -0.05 0.00 -0.01 0.00 0.00 54.79 52.61 3d5m n ASP 61 Cb 0.53 0.12 0.07 0.00 -1.03 0.00 0.00 41.12 40.81 3d5m n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3d5m h ASP 62 N 0.49 1.07 -0.70 -1.12 3.32 -1.99 -2.61 116.42 114.87 3d5m h ASP 62 Ca -0.18 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.79 3d5m h ASP 62 Cb 0.56 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 3d5m h ASP 62 CO 0.29 0.91 0.40 0.45 -1.72 0.00 0.00 179.24 179.57 3d5m h HIS 63 N 1.15 0.73 0.02 4.55 3.86 -1.97 0.11 115.15 123.61 3d5m h HIS 63 Ca 0.28 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.54 3d5m h HIS 63 Cb 0.13 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 3d5m h HIS 63 CO 0.01 0.36 -0.39 -0.92 0.86 0.00 0.00 177.93 177.86 3d5m h TYR 64 N 0.74 -1.08 -0.41 2.45 3.20 -1.80 -1.55 116.97 118.52 3d5m h TYR 64 Ca 0.31 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.11 3d5m h TYR 64 Cb 0.18 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3d5m h TYR 64 CO -0.07 -0.47 -0.16 0.00 -1.64 0.00 0.00 178.16 175.82 3d5m h ARG 65 N -0.56 0.77 0.55 1.82 3.08 -1.12 -1.78 114.38 117.13 3d5m h ARG 65 Ca 0.05 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3d5m h ARG 65 Cb 0.63 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3d5m h ARG 65 CO -0.29 0.88 -0.32 -0.44 -1.07 0.00 0.00 179.97 178.73 3d5m h ASP 66 N 0.68 -0.80 -0.65 7.04 3.32 -0.66 -0.60 116.42 124.76 3d5m h ASP 66 Ca 0.11 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.28 3d5m h ASP 66 Cb 0.65 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 3d5m h ASP 66 CO 0.05 -0.51 0.33 0.58 -1.72 0.00 0.00 179.24 177.96 3d5m h VAL 67 N -0.82 0.89 -0.42 -1.35 2.07 -1.25 -2.10 116.25 113.27 3d5m h VAL 67 Ca -0.07 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3d5m h VAL 67 Cb 0.66 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3d5m h VAL 67 CO 0.08 0.11 0.11 0.25 0.02 0.00 0.00 177.57 178.13 3d5m h LEU 68 N 0.58 0.06 -0.36 2.57 5.85 -1.11 0.12 115.31 123.03 3d5m h LEU 68 Ca 0.31 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.15 3d5m h LEU 68 Cb 0.28 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3d5m h LEU 68 CO -0.23 0.07 0.05 0.50 -0.34 0.00 0.00 178.44 178.48 3d5m h LYS 69 N 0.25 0.16 -0.70 1.25 3.64 -0.65 0.41 116.57 120.93 3d5m h LYS 69 Ca 0.20 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3d5m h LYS 69 Cb 0.23 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3d5m h LYS 69 CO -0.25 0.10 0.41 0.93 -2.27 0.00 0.00 179.45 178.38 3d5m h GLU 70 N 0.16 0.73 -0.70 1.90 5.08 -0.82 -1.20 114.58 119.73 3d5m h GLU 70 Ca 0.17 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3d5m h GLU 70 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3d5m h GLU 70 CO -0.24 0.49 0.31 0.52 -1.00 0.00 0.00 179.01 179.08 3d5m h MET 71 N 0.76 1.03 -0.38 2.33 2.86 -0.03 -2.76 114.93 118.74 3d5m h MET 71 Ca 0.31 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 3d5m h MET 71 Cb 0.16 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3d5m h MET 71 CO -0.17 0.84 -0.29 0.87 1.06 0.00 0.00 176.91 179.22 3d5m h LYS 72 N 0.99 0.82 -0.68 1.72 1.57 -0.68 -1.31 116.57 119.00 3d5m h LYS 72 Ca 0.24 -0.37 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3d5m h LYS 72 Cb 0.17 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3d5m h LYS 72 CO -0.02 1.00 0.35 0.00 -0.57 0.00 0.00 179.45 180.20 3d5m h ALA 73 N 0.98 0.92 -0.15 3.86 0.00 -1.00 -0.21 119.26 123.66 3d5m h ALA 73 Ca 0.08 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3d5m h ALA 73 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3d5m h ALA 73 CO 0.07 -0.02 -0.60 0.87 0.00 0.00 0.00 179.25 179.58 3d5m h LYS 74 N 0.62 0.50 -0.39 0.00 1.57 -1.38 -3.13 116.57 114.37 3d5m h LYS 74 Ca 0.32 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3d5m h LYS 74 Cb 0.28 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3d5m h LYS 74 CO -0.23 0.95 0.09 0.00 -0.57 0.00 0.00 179.45 179.69 3d5m h ALA 75 N 0.97 1.44 0.00 3.86 0.00 -0.64 -2.48 119.26 122.41 3d5m h ALA 75 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d5m h ALA 75 Cb 1.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3d5m h ALA 75 CO 0.11 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 3d5m n SER 76 N -4.33 0.00 -0.18 0.00 3.41 -0.14 -1.54 113.62 110.83 3d5m n SER 76 Ca 0.02 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 3d5m n SER 76 Cb 0.19 -0.44 0.38 0.00 -0.26 0.00 0.00 64.21 64.08 3d5m n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3d5m n THR 77 N -1.44 0.00 -3.11 6.66 -2.24 -0.93 -4.67 114.28 108.55 3d5m n THR 77 Ca 0.04 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 3d5m n THR 77 Cb 0.15 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 3d5m n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d5m s VAL 78 N -2.60 4.99 -0.20 2.28 1.01 -0.59 -4.98 120.40 120.31 3d5m s VAL 78 Ca 0.22 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 3d5m s VAL 78 Cb 0.19 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3d5m s VAL 78 CO 0.55 0.32 -0.06 -0.75 0.00 0.00 0.00 175.10 175.16 3d5m s LYS 79 N 0.42 3.40 0.12 2.72 2.20 -1.26 -0.15 119.74 127.19 3d5m s LYS 79 Ca 0.35 -0.63 0.09 0.00 -0.36 0.00 0.00 55.97 55.42 3d5m s LYS 79 Cb -0.18 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3d5m s LYS 79 CO 0.18 -0.09 -0.23 0.00 -0.36 0.00 0.00 175.35 174.85 3d5m s ALA 80 N 1.19 2.06 0.22 3.13 0.00 -0.36 -4.94 121.76 123.06 3d5m s ALA 80 Ca 0.02 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.70 3d5m s ALA 80 Cb -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 3d5m s ALA 80 CO -0.01 0.41 -0.00 -1.59 0.00 0.00 0.00 175.76 174.56 3d5m s LYS 81 N -2.08 2.33 0.29 0.00 0.00 -1.26 -4.43 119.74 114.59 3d5m s LYS 81 Ca 0.11 -1.27 -0.29 0.00 0.00 0.00 0.00 55.97 54.51 3d5m s LYS 81 Cb -0.09 -2.25 -0.10 0.00 0.00 0.00 0.00 37.83 35.39 3d5m s LYS 81 CO 0.05 0.41 1.15 -0.51 0.00 0.00 0.00 175.35 176.45 3d5m s LEU 82 N -3.32 4.52 0.21 2.77 1.43 -1.26 -4.53 118.68 118.49 3d5m s LEU 82 Ca 0.29 2.37 -0.19 0.00 -1.03 0.00 0.00 54.13 55.57 3d5m s LEU 82 Cb -0.08 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3d5m s LEU 82 CO 0.19 -0.24 0.70 -0.76 0.23 0.00 0.00 176.35 176.47 3d5m s LEU 83 N -1.54 4.35 0.74 1.79 1.02 -0.59 -5.06 118.68 119.39 3d5m s LEU 83 Ca 0.46 1.38 -0.12 0.00 0.02 0.00 0.00 54.13 55.86 3d5m s LEU 83 Cb -0.34 -3.52 0.04 0.00 0.02 0.00 0.00 46.19 42.39 3d5m s LEU 83 CO 0.44 0.05 1.10 -0.94 0.02 0.00 0.00 176.35 177.02 3d5m s SER 84 N -1.63 4.64 0.21 2.29 1.04 -1.26 -4.65 113.70 114.34 3d5m s SER 84 Ca 0.42 1.92 -0.13 0.00 0.48 0.00 0.00 55.95 58.64 3d5m s SER 84 Cb -0.17 -2.54 0.25 0.00 0.10 0.00 0.00 66.02 63.67 3d5m s SER 84 CO 0.21 -1.95 1.63 0.58 0.98 0.00 0.00 173.24 174.69 3d5m h VAL 85 N -0.71 0.39 -0.62 5.02 2.07 -1.98 -1.61 116.25 118.82 3d5m h VAL 85 Ca -0.45 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3d5m h VAL 85 Cb 1.24 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3d5m h VAL 85 CO 0.52 0.00 0.30 1.05 0.02 0.00 0.00 177.57 179.46 3d5m h GLU 86 N 0.02 0.90 -0.73 1.57 9.09 -1.98 0.80 114.58 124.25 3d5m h GLU 86 Ca 0.31 -0.13 0.05 0.00 0.05 0.00 0.00 59.36 59.64 3d5m h GLU 86 Cb 0.48 -0.16 -0.05 0.00 -1.65 0.00 0.00 28.75 27.37 3d5m h GLU 86 CO -0.62 0.72 0.44 0.93 0.05 0.00 0.00 179.01 180.52 3d5m h GLU 87 N 0.86 0.79 -0.24 1.06 5.08 -1.74 -2.12 114.58 118.26 3d5m h GLU 87 Ca 0.21 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 3d5m h GLU 87 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3d5m h GLU 87 CO -0.03 0.52 -0.59 0.00 -1.00 0.00 0.00 179.01 177.92 3d5m h ALA 88 N 1.35 0.50 -0.98 3.43 0.00 -0.74 -3.06 119.26 119.77 3d5m h ALA 88 Ca 0.32 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3d5m h ALA 88 Cb 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3d5m h ALA 88 CO -0.16 0.69 0.63 0.00 0.00 0.00 0.00 179.25 180.40 3d5m n LYS 90 N -4.52 0.12 0.00 0.00 4.76 -0.82 -1.96 118.16 115.74 3d5m n LYS 90 Ca 0.15 0.29 0.14 0.00 -2.87 0.00 0.00 58.31 56.02 3d5m n LYS 90 Cb 0.18 -1.70 0.54 0.00 -1.84 0.00 0.00 35.03 32.21 3d5m n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3d5m n LEU 91 N -1.92 1.28 -4.69 -0.35 4.77 -0.90 -4.86 117.00 110.35 3d5m n LEU 91 Ca 0.04 -0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 3d5m n LEU 91 Cb 0.25 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3d5m n LEU 91 CO 0.20 0.22 0.60 -0.89 -1.33 0.00 0.00 177.39 176.18 3d5m s THR 92 N -2.09 4.90 0.45 -5.08 2.01 -0.83 -0.18 115.64 114.82 3d5m s THR 92 Ca 0.36 1.68 -0.25 0.00 0.31 0.00 0.00 61.69 63.79 3d5m s THR 92 Cb 0.21 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 3d5m s THR 92 CO 0.37 0.08 1.42 -2.65 -0.69 0.00 0.00 174.62 173.15 3d5m n PRO 93 N 4.79 2.24 0.29 4.92 -0.02 -1.26 -4.77 135.00 141.18 3d5m n PRO 93 Ca 0.04 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.47 3d5m n PRO 93 Cb 0.49 -2.61 0.88 0.00 -0.02 0.00 0.00 33.50 32.24 3d5m n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d5m h PRO 94 N 2.29 0.00 -0.54 0.52 0.11 -1.96 -2.41 132.00 130.02 3d5m h PRO 94 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3d5m h PRO 94 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3d5m h PRO 94 CO 0.61 0.04 0.00 -2.39 -0.21 0.00 0.00 178.00 176.05 3d5m n HIS 95 N -3.73 0.71 -1.15 0.65 1.44 -1.26 -4.35 115.22 107.53 3d5m n HIS 95 Ca -0.03 -0.35 -0.34 0.00 -2.01 0.00 0.00 57.72 54.99 3d5m n HIS 95 Cb 0.13 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.36 3d5m n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3d5m n SER 96 N 1.50 1.08 -4.75 4.39 2.88 -0.91 -4.93 113.62 112.88 3d5m n SER 96 Ca 0.21 0.60 -0.41 0.00 -1.33 0.00 0.00 58.87 57.95 3d5m n SER 96 Cb 0.59 -1.51 -0.03 0.00 -0.75 0.00 0.00 64.21 62.52 3d5m n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d5m s ALA 97 N -2.06 3.54 0.71 -1.46 0.00 -1.26 -4.41 121.76 116.81 3d5m s ALA 97 Ca 0.74 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.79 3d5m s ALA 97 Cb -0.30 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.35 3d5m s ALA 97 CO 0.50 -0.60 1.07 -1.59 0.00 0.00 0.00 175.76 175.14 3d5m s LYS 98 N -0.76 2.76 0.51 0.00 -2.85 -1.26 -4.59 119.74 113.56 3d5m s LYS 98 Ca 0.54 1.05 -0.20 0.00 -1.00 0.00 0.00 55.97 56.36 3d5m s LYS 98 Cb -0.39 -1.96 -0.07 0.00 -2.06 0.00 0.00 37.83 33.35 3d5m s LYS 98 CO 0.44 -1.24 1.10 0.45 0.10 0.00 0.00 175.35 176.20 3d5m s SER 99 N -3.57 6.01 0.00 0.03 0.15 0.75 -4.65 113.70 112.41 3d5m s SER 99 Ca 0.60 2.09 0.20 0.00 0.70 0.00 0.00 55.95 59.53 3d5m s SER 99 Cb -0.15 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.58 3d5m s SER 99 CO 0.54 -1.02 1.61 0.29 1.20 0.00 0.00 173.24 175.86 3d5m n LYS 100 N -1.09 0.28 -0.93 5.44 5.02 -1.26 -3.56 118.16 122.06 3d5m n LYS 100 Ca 0.10 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 3d5m n LYS 100 Cb 0.51 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.22 3d5m n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3d5m n PHE 101 N -1.28 1.70 -1.31 2.13 3.72 -1.26 -4.94 117.46 116.21 3d5m n PHE 101 Ca 0.09 -1.64 0.00 0.00 -0.05 0.00 0.00 57.45 55.85 3d5m n PHE 101 Cb 0.16 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 3d5m n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d5m n GLY 102 N -1.08 0.53 3.19 1.37 0.00 -1.23 -5.05 105.19 102.92 3d5m n GLY 102 Ca 0.41 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3d5m n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d5m s TYR 103 N -2.00 0.08 0.13 1.61 -0.85 -1.26 -5.03 117.35 110.04 3d5m s TYR 103 Ca 0.00 -0.37 0.01 0.00 -0.52 0.00 0.00 57.07 56.18 3d5m s TYR 103 Cb 0.00 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.31 3d5m s TYR 103 CO 0.00 -0.47 0.05 0.41 -1.52 0.00 0.00 175.55 174.02 3d5m n GLY 104 N 0.44 3.53 0.32 5.49 0.00 -1.26 -0.18 105.19 113.52 3d5m n GLY 104 Ca -0.18 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.59 3d5m n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m h ALA 105 N 0.90 1.07 -0.21 4.61 0.00 -1.84 -1.92 119.26 121.89 3d5m h ALA 105 Ca -0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3d5m h ALA 105 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3d5m h ALA 105 CO 0.16 0.42 -0.36 0.87 0.00 0.00 0.00 179.25 180.34 3d5m h LYS 106 N 1.09 0.45 -0.31 0.00 1.57 -1.88 0.21 116.57 117.70 3d5m h LYS 106 Ca 0.32 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3d5m h LYS 106 Cb -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3d5m h LYS 106 CO -0.09 0.75 0.20 -0.44 -0.57 0.00 0.00 179.45 179.31 3d5m h ASP 107 N 0.38 0.36 0.14 0.86 3.32 -1.89 0.10 116.42 119.69 3d5m h ASP 107 Ca 0.04 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3d5m h ASP 107 Cb 0.82 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3d5m h ASP 107 CO 0.07 0.27 -0.16 0.58 -1.72 0.00 0.00 179.24 178.28 3d5m h VAL 108 N 0.42 0.65 -0.54 -1.35 2.07 -0.88 0.15 116.25 116.76 3d5m h VAL 108 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3d5m h VAL 108 Cb -0.04 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3d5m h VAL 108 CO -0.02 0.00 0.34 0.03 0.02 0.00 0.00 177.57 177.93 3d5m h ARG 109 N -0.34 0.72 -0.31 1.57 3.08 -0.40 -0.76 114.38 117.95 3d5m h ARG 109 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3d5m h ARG 109 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3d5m h ARG 109 CO -0.05 0.51 0.00 0.27 -1.07 0.00 0.00 179.97 179.62 3d5m n ASN 110 N -4.68 1.59 -2.71 7.04 2.04 0.33 -4.77 115.26 114.10 3d5m n ASN 110 Ca 0.03 -2.01 -0.18 0.00 -0.44 0.00 0.00 54.58 51.98 3d5m n ASN 110 Cb 0.04 -0.20 0.05 0.00 -2.53 0.00 0.00 39.78 37.14 3d5m n ASN 110 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3d5m n LEU 111 N 0.35 -2.83 -4.65 -4.53 4.77 -0.11 -4.95 117.00 105.05 3d5m n LEU 111 Ca 0.10 -0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 55.36 3d5m n LEU 111 Cb 0.25 -2.47 0.05 0.00 -2.33 0.00 0.00 43.42 38.93 3d5m n LEU 111 CO 0.07 0.38 0.64 -1.54 -1.33 0.00 0.00 177.39 175.61 3d5m n SER 112 N -1.85 1.16 0.14 -1.43 3.41 0.33 -4.77 113.62 110.61 3d5m n SER 112 Ca -0.03 0.83 -0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3d5m n SER 112 Cb 0.57 -1.43 0.26 0.00 -0.26 0.00 0.00 64.21 63.34 3d5m n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3d5m h SER 113 N 0.58 0.10 -0.21 4.04 4.64 -1.92 -1.89 113.55 118.89 3d5m h SER 113 Ca -0.49 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3d5m h SER 113 Cb 1.35 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 3d5m h SER 113 CO 0.52 0.54 0.01 0.50 -0.87 0.00 0.00 176.83 177.52 3d5m h LYS 114 N 0.08 0.07 0.74 4.77 3.11 -1.96 0.14 116.57 123.53 3d5m h LYS 114 Ca 0.00 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 3d5m h LYS 114 Cb 0.83 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.05 3d5m h LYS 114 CO 0.06 0.05 -0.36 0.00 -2.81 0.00 0.00 179.45 176.40 3d5m h ALA 115 N 1.17 -1.00 -0.91 5.00 0.00 -1.78 -2.63 119.26 119.12 3d5m h ALA 115 Ca 0.10 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3d5m h ALA 115 Cb 0.12 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3d5m h ALA 115 CO -0.16 -1.00 0.55 0.28 0.00 0.00 0.00 179.25 178.92 3d5m h VAL 116 N -1.12 0.93 -0.55 0.00 2.07 -1.32 0.08 116.25 116.34 3d5m h VAL 116 Ca -0.10 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3d5m h VAL 116 Cb 0.78 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3d5m h VAL 116 CO 0.17 0.17 0.25 0.78 0.02 0.00 0.00 177.57 178.95 3d5m h ASN 117 N 0.91 0.74 -0.61 0.57 -0.26 -0.74 -1.48 115.58 114.71 3d5m h ASN 117 Ca 0.44 -0.14 -0.08 0.00 -0.56 0.00 0.00 56.30 55.96 3d5m h ASN 117 Cb 0.39 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3d5m h ASN 117 CO -0.25 0.68 0.08 -0.74 -1.06 0.00 0.00 177.43 176.14 3d5m h HIS 118 N 0.75 1.09 -0.15 1.19 2.76 -0.89 -2.17 115.15 117.73 3d5m h HIS 118 Ca 0.19 -0.16 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3d5m h HIS 118 Cb 0.15 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.76 3d5m h HIS 118 CO 0.00 0.94 -0.16 0.82 -1.30 0.00 0.00 177.93 178.23 3d5m h ILE 119 N 0.92 0.56 -0.71 6.26 1.08 -0.84 0.15 117.51 124.93 3d5m h ILE 119 Ca 0.18 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 3d5m h ILE 119 Cb 0.46 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3d5m h ILE 119 CO 0.02 0.00 0.42 0.45 -0.69 0.00 0.00 178.15 178.34 3d5m h HIS 120 N -0.19 0.94 -0.46 1.37 3.86 -1.18 -0.62 115.15 118.86 3d5m h HIS 120 Ca 0.10 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 3d5m h HIS 120 Cb 0.35 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3d5m h HIS 120 CO -0.29 0.63 -0.10 1.03 0.86 0.00 0.00 177.93 180.06 3d5m h SER 121 N 0.98 0.82 -0.44 2.45 0.87 -0.96 -1.31 113.55 115.96 3d5m h SER 121 Ca 0.26 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3d5m h SER 121 Cb -0.02 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3d5m h SER 121 CO -0.05 0.94 -0.03 0.58 -0.53 0.00 0.00 176.83 177.75 3d5m h VAL 122 N 0.75 1.27 -0.37 2.23 2.07 0.39 -2.63 116.25 119.95 3d5m h VAL 122 Ca 0.13 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3d5m h VAL 122 Cb 0.60 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3d5m h VAL 122 CO 0.04 0.37 0.20 -0.25 0.02 0.00 0.00 177.57 177.95 3d5m h TRP 123 N 0.63 0.51 -0.63 1.57 2.91 -1.03 -1.85 115.95 118.06 3d5m h TRP 123 Ca 0.12 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 3d5m h TRP 123 Cb 0.53 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.99 3d5m h TRP 123 CO 0.04 0.40 0.35 -0.22 -1.03 0.00 0.00 178.44 177.98 3d5m h LYS 124 N 0.47 0.87 -0.09 2.65 3.64 -1.26 -1.60 116.57 121.26 3d5m h LYS 124 Ca 0.13 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3d5m h LYS 124 Cb 0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3d5m h LYS 124 CO -0.02 0.66 -0.07 0.22 -2.27 0.00 0.00 179.45 177.97 3d5m h ASP 125 N 0.85 0.11 -0.19 4.20 3.58 -1.25 -2.30 116.42 121.42 3d5m h ASP 125 Ca 0.22 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.53 3d5m h ASP 125 Cb 0.04 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3d5m h ASP 125 CO -0.04 0.21 -0.30 -0.07 -2.88 0.00 0.00 179.24 176.16 3d5m h LEU 126 N 0.12 0.71 -1.00 2.28 3.38 -0.47 -1.84 115.31 118.50 3d5m h LEU 126 Ca 0.03 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3d5m h LEU 126 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3d5m h LEU 126 CO 0.01 0.97 -0.43 -0.07 0.09 0.00 0.00 178.44 179.01 3d5m h LEU 127 N 0.59 0.00 0.00 1.67 3.38 -0.83 -3.32 115.31 116.80 3d5m h LEU 127 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 3d5m h LEU 127 Cb 0.81 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3d5m h LEU 127 CO 0.07 0.43 -1.90 -0.62 0.09 0.00 0.00 178.44 176.50 3d5m n GLU 128 N -3.71 0.65 -3.87 1.13 1.02 -0.94 -4.86 120.64 110.06 3d5m n GLU 128 Ca -0.01 0.11 -0.27 0.00 -0.02 0.00 0.00 57.16 56.97 3d5m n GLU 128 Cb 0.50 -1.67 -0.17 0.00 -0.02 0.00 0.00 31.44 30.09 3d5m n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3d5m s ASP 129 N -5.61 2.43 -0.17 1.62 -1.08 -0.70 -5.00 116.67 108.15 3d5m s ASP 129 Ca -0.06 -0.46 0.17 0.00 -0.52 0.00 0.00 52.55 51.68 3d5m s ASP 129 Cb 0.08 -0.80 0.43 0.00 -1.46 0.00 0.00 42.92 41.16 3d5m s ASP 129 CO 0.83 -0.17 1.31 0.35 0.52 0.00 0.00 175.17 178.01 3d5m n THR 130 N 4.95 2.14 0.00 1.71 -2.24 -1.26 -4.56 114.28 115.02 3d5m n THR 130 Ca -0.11 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 3d5m n THR 130 Cb 0.49 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3d5m n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3d5m n VAL 131 N -0.94 0.00 -1.92 2.28 0.24 -1.26 -4.65 118.33 112.08 3d5m n VAL 131 Ca 0.20 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 3d5m n VAL 131 Cb 0.79 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 3d5m n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3d5m s THR 132 N -1.51 3.41 0.24 3.34 2.01 -1.26 -4.75 115.64 117.12 3d5m s THR 132 Ca 0.00 0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.14 3d5m s THR 132 Cb 0.00 -3.45 -0.14 0.00 0.01 0.00 0.00 72.50 68.93 3d5m s THR 132 CO 0.00 -0.21 1.35 -2.65 -0.69 0.00 0.00 174.62 172.42 3d5m n PRO 133 N 8.03 1.89 -3.18 4.92 -0.02 -1.26 -4.73 135.00 140.65 3d5m n PRO 133 Ca 0.22 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 3d5m n PRO 133 Cb 0.45 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3d5m n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d5m s ILE 134 N -0.20 4.63 0.36 4.25 1.01 0.26 -4.94 121.20 126.57 3d5m s ILE 134 Ca 0.67 1.34 -0.27 0.00 0.00 0.00 0.00 60.65 62.39 3d5m s ILE 134 Cb -0.67 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 37.75 3d5m s ILE 134 CO 0.51 0.50 1.23 -0.62 0.00 0.00 0.00 174.94 176.56 3d5m s ASP 135 N -1.20 6.66 0.11 3.58 2.15 -1.26 -4.31 116.67 122.40 3d5m s ASP 135 Ca 0.33 2.50 0.05 0.00 0.43 0.00 0.00 52.55 55.86 3d5m s ASP 135 Cb -0.20 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.75 3d5m s ASP 135 CO 0.21 -0.59 -0.13 0.42 -0.17 0.00 0.00 175.17 174.91 3d5m s THR 136 N -1.26 1.23 -0.10 1.71 -4.23 -1.18 -4.14 115.64 107.67 3d5m s THR 136 Ca 0.53 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.29 3d5m s THR 136 Cb -0.35 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 3d5m s THR 136 CO 0.45 -0.41 0.23 -0.89 -0.54 0.00 0.00 174.62 173.47 3d5m s THR 137 N -2.05 5.34 -0.20 3.99 2.01 0.85 -1.33 115.64 124.26 3d5m s THR 137 Ca 0.07 0.43 -0.06 0.00 0.31 0.00 0.00 61.69 62.44 3d5m s THR 137 Cb -0.05 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3d5m s THR 137 CO 0.02 0.55 0.03 -0.51 -0.69 0.00 0.00 174.62 174.02 3d5m s ILE 138 N -0.65 4.27 0.25 1.82 2.07 0.11 -1.66 121.20 127.39 3d5m s ILE 138 Ca 0.17 -0.21 0.08 0.00 -1.41 0.00 0.00 60.65 59.28 3d5m s ILE 138 Cb -0.13 -2.93 -0.05 0.00 0.13 0.00 0.00 42.46 39.47 3d5m s ILE 138 CO 0.06 0.43 -0.12 -0.04 -1.91 0.00 0.00 174.94 173.36 3d5m s MET 139 N 0.82 1.48 -0.02 3.50 -1.94 -0.55 -4.41 119.30 118.18 3d5m s MET 139 Ca 0.02 -1.70 -0.12 0.00 -1.71 0.00 0.00 55.69 52.18 3d5m s MET 139 Cb -0.14 -1.25 -0.05 0.00 2.01 0.00 0.00 34.83 35.40 3d5m s MET 139 CO 0.02 0.15 0.33 0.00 -0.01 0.00 0.00 175.02 175.51 3d5m s ALA 140 N -2.91 3.76 0.07 3.03 0.00 -1.26 -1.45 121.76 123.00 3d5m s ALA 140 Ca 0.26 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 3d5m s ALA 140 Cb 0.00 -2.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.81 3d5m s ALA 140 CO 0.10 0.54 0.70 0.15 0.00 0.00 0.00 175.76 177.25 3d5m s LYS 141 N -1.17 4.43 -0.43 0.00 1.02 0.65 -4.79 119.74 119.45 3d5m s LYS 141 Ca 0.22 0.97 -0.16 0.00 0.02 0.00 0.00 55.97 57.02 3d5m s LYS 141 Cb -0.15 -3.31 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3d5m s LYS 141 CO 0.11 0.44 0.38 -0.80 -0.92 0.00 0.00 175.35 174.56 3d5m s ASN 142 N -0.55 6.15 0.08 2.83 0.01 -1.26 -4.17 114.94 118.03 3d5m s ASN 142 Ca 0.35 -0.92 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 3d5m s ASN 142 Cb -0.21 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 3d5m s ASN 142 CO 0.22 -0.56 -0.17 -1.61 -1.51 0.00 0.00 177.10 173.47 3d5m s GLU 143 N 1.87 0.99 -0.12 -0.60 2.02 -1.26 -4.89 118.70 116.71 3d5m s GLU 143 Ca 0.08 -1.01 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 3d5m s GLU 143 Cb -0.19 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3d5m s GLU 143 CO 0.11 0.26 0.07 0.08 0.02 0.00 0.00 175.26 175.79 3d5m s VAL 144 N -1.15 4.88 0.29 2.63 1.01 -1.26 -0.76 120.40 126.03 3d5m s VAL 144 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3d5m s VAL 144 Cb -0.10 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3d5m s VAL 144 CO 0.03 0.57 0.23 -0.36 0.00 0.00 0.00 175.10 175.57 3d5m s PHE 145 N -0.59 1.57 -0.04 5.22 0.08 -0.44 -4.78 117.98 119.01 3d5m s PHE 145 Ca 0.11 -1.56 -0.02 0.00 0.12 0.00 0.00 56.93 55.58 3d5m s PHE 145 Cb -0.12 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3d5m s PHE 145 CO 0.02 -0.78 0.08 0.00 -0.10 0.00 0.00 175.22 174.45 3d5m n VAL 147 N 1.46 0.36 -3.75 0.00 0.31 0.21 -4.96 118.33 111.96 3d5m n VAL 147 Ca -0.15 -0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 3d5m n VAL 147 Cb 0.53 -1.99 -0.10 0.00 -0.91 0.00 0.00 33.84 31.37 3d5m n VAL 147 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3d5m s GLN 148 N 2.75 2.65 -0.11 5.55 1.11 -1.26 -5.06 119.66 125.29 3d5m s GLN 148 Ca 0.84 -2.79 -0.01 0.00 0.01 0.00 0.00 55.36 53.40 3d5m s GLN 148 Cb -0.55 -3.70 -0.04 0.00 -1.01 0.00 0.00 33.01 27.71 3d5m s GLN 148 CO 0.40 -1.20 1.13 -2.30 0.01 0.00 0.00 175.29 173.34 3d5m n PRO 149 N 3.03 0.00 0.01 2.91 -0.02 -1.26 -4.80 135.00 134.87 3d5m n PRO 149 Ca 0.12 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3d5m n PRO 149 Cb 0.37 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3d5m n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5m n GLY 153 N 4.62 -0.02 3.16 -1.23 0.00 -1.26 -5.24 105.19 105.23 3d5m n GLY 153 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3d5m n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5m s ARG 154 N -2.00 1.17 0.14 1.61 0.52 -1.26 -4.77 118.95 114.36 3d5m s ARG 154 Ca 0.00 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 3d5m s ARG 154 Cb 0.00 -1.18 -0.07 0.00 0.52 0.00 0.00 34.95 34.22 3d5m s ARG 154 CO 0.00 0.31 1.05 0.15 0.02 0.00 0.00 175.30 176.83 3d5m s LYS 155 N -0.82 4.63 0.63 3.54 1.02 -1.26 -5.06 119.74 122.42 3d5m s LYS 155 Ca 0.05 1.61 -0.15 0.00 0.02 0.00 0.00 55.97 57.49 3d5m s LYS 155 Cb -0.07 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 3d5m s LYS 155 CO 0.01 0.11 1.09 -2.14 -0.92 0.00 0.00 175.35 173.49 3d5m s PRO 156 N -0.11 3.03 0.27 -1.68 0.02 -1.26 -4.81 135.00 130.46 3d5m s PRO 156 Ca 0.49 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 3d5m s PRO 156 Cb -0.27 -1.99 -0.13 0.00 0.02 0.00 0.00 34.50 32.13 3d5m s PRO 156 CO 0.32 -1.06 1.33 0.00 -0.33 0.00 0.00 177.00 177.26 3d5m n ALA 157 N -2.23 0.94 -1.51 -1.55 0.00 -1.26 -4.95 120.51 109.95 3d5m n ALA 157 Ca 0.10 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 3d5m n ALA 157 Cb 0.52 -2.23 0.05 0.00 0.00 0.00 0.00 19.45 17.79 3d5m n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d5m s ARG 158 N -0.91 2.80 0.00 0.00 0.52 -1.26 -4.69 118.95 115.41 3d5m s ARG 158 Ca 0.64 1.36 -0.01 0.00 -0.52 0.00 0.00 55.73 57.21 3d5m s ARG 158 Cb -0.64 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 3d5m s ARG 158 CO 0.54 -1.24 0.11 -0.51 0.02 0.00 0.00 175.30 174.22 3d5m s LEU 159 N -4.91 4.02 -0.06 2.53 1.02 -1.26 -0.25 118.68 119.76 3d5m s LEU 159 Ca 0.66 0.18 0.03 0.00 0.02 0.00 0.00 54.13 55.02 3d5m s LEU 159 Cb -0.20 -2.39 0.01 0.00 0.02 0.00 0.00 46.19 43.63 3d5m s LEU 159 CO 0.42 0.26 -0.14 -0.51 0.02 0.00 0.00 176.35 176.40 3d5m s ILE 160 N -1.25 1.22 -0.15 -0.59 1.10 -0.53 -4.89 121.20 116.11 3d5m s ILE 160 Ca 0.25 -0.54 0.01 0.00 -0.51 0.00 0.00 60.65 59.86 3d5m s ILE 160 Cb -0.12 -1.10 0.02 0.00 0.15 0.00 0.00 42.46 41.41 3d5m s ILE 160 CO 0.16 0.37 -0.18 -0.69 -2.11 0.00 0.00 174.94 172.50 3d5m s VAL 161 N 0.54 1.83 -0.04 4.00 1.01 -1.26 -1.48 120.40 125.01 3d5m s VAL 161 Ca -0.13 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3d5m s VAL 161 Cb -0.15 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3d5m s VAL 161 CO 0.04 0.50 0.15 0.72 0.00 0.00 0.00 175.10 176.51 3d5m s PHE 162 N 1.24 -0.09 0.67 5.22 -0.71 -0.67 -0.58 117.98 123.07 3d5m s PHE 162 Ca 0.02 0.21 -0.07 0.00 -1.04 0.00 0.00 56.93 56.04 3d5m s PHE 162 Cb -0.14 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.73 3d5m s PHE 162 CO -0.09 -0.17 0.99 -1.25 -1.34 0.00 0.00 175.22 173.36 3d5m s PRO 163 N -0.52 2.47 0.69 1.99 0.04 -1.26 -0.11 135.00 138.31 3d5m s PRO 163 Ca -0.06 -0.10 -0.16 0.00 0.04 0.00 0.00 61.00 60.71 3d5m s PRO 163 Cb -0.04 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3d5m s PRO 163 CO 0.01 -1.06 0.93 -3.47 0.04 0.00 0.00 177.00 173.45 3d5m n ASP 164 N -2.84 0.41 -0.32 6.66 2.03 -1.26 -4.67 116.55 116.57 3d5m n ASP 164 Ca 0.07 0.69 0.15 0.00 0.52 0.00 0.00 54.79 56.22 3d5m n ASP 164 Cb 0.59 -1.39 0.34 0.00 -0.72 0.00 0.00 41.12 39.94 3d5m n ASP 164 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3d5m h LEU 165 N -0.09 0.47 -0.64 -2.67 5.85 -1.82 -0.51 115.31 115.88 3d5m h LEU 165 Ca -0.48 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.48 3d5m h LEU 165 Cb 1.34 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 3d5m h LEU 165 CO 0.47 0.04 0.29 1.23 -0.34 0.00 0.00 178.44 180.14 3d5m h GLY 166 N 0.47 0.93 1.04 3.75 0.00 -1.95 -1.62 103.07 105.69 3d5m h GLY 166 Ca 0.59 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.64 3d5m h GLY 166 CO -0.51 0.04 -0.10 -2.08 0.00 0.00 0.00 176.54 173.89 3d5m h VAL 167 N 0.51 1.27 -0.86 4.60 2.07 -1.46 -2.87 116.25 119.52 3d5m h VAL 167 Ca 0.32 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3d5m h VAL 167 Cb 0.34 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3d5m h VAL 167 CO -0.27 0.42 0.50 0.03 0.02 0.00 0.00 177.57 178.28 3d5m h ARG 168 N 0.75 1.17 -0.58 1.57 3.08 -0.61 0.11 114.38 119.88 3d5m h ARG 168 Ca 0.12 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3d5m h ARG 168 Cb 0.65 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3d5m h ARG 168 CO 0.04 0.83 0.17 0.28 -1.07 0.00 0.00 179.97 180.22 3d5m h VAL 169 N 1.18 1.24 -0.54 2.04 2.07 -1.33 -2.82 116.25 118.10 3d5m h VAL 169 Ca 0.31 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3d5m h VAL 169 Cb -0.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3d5m h VAL 169 CO -0.06 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.12 3d5m h GLU 171 N 0.73 0.01 -0.64 0.00 5.08 -0.74 -0.08 114.58 118.94 3d5m h GLU 171 Ca 0.19 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3d5m h GLU 171 Cb 0.09 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3d5m h GLU 171 CO -0.03 0.01 0.33 0.87 -1.00 0.00 0.00 179.01 179.19 3d5m h LYS 172 N 0.01 0.58 -0.42 2.33 1.57 -1.20 0.18 116.57 119.62 3d5m h LYS 172 Ca 0.26 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 3d5m h LYS 172 Cb 0.40 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3d5m h LYS 172 CO -0.55 0.38 0.17 0.52 -0.57 0.00 0.00 179.45 179.40 3d5m h MET 173 N 0.60 0.35 0.04 3.15 2.86 -0.30 -1.60 114.93 120.02 3d5m h MET 173 Ca 0.30 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.67 3d5m h MET 173 Cb 0.25 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3d5m h MET 173 CO -0.21 0.23 -1.19 0.00 1.06 0.00 0.00 176.91 176.79 3d5m h ALA 174 N 1.26 0.33 0.00 6.32 0.00 -1.03 -1.57 119.26 124.56 3d5m h ALA 174 Ca 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3d5m h ALA 174 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d5m h ALA 174 CO -0.17 1.21 0.00 1.28 0.00 0.00 0.00 179.25 181.57 3d5m n LEU 175 N -3.37 0.30 -0.18 0.00 4.77 0.63 -4.74 117.00 114.40 3d5m n LEU 175 Ca -0.06 -0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 55.48 3d5m n LEU 175 Cb 0.98 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.09 3d5m n LEU 175 CO 0.49 0.08 0.94 0.22 -1.33 0.00 0.00 177.39 177.79 3d5m h TYR 176 N 0.00 0.81 -0.38 -1.77 3.20 -1.38 -0.12 116.97 117.33 3d5m h TYR 176 Ca 0.00 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 3d5m h TYR 176 Cb 0.20 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3d5m h TYR 176 CO 0.00 0.68 -0.01 0.22 -1.64 0.00 0.00 178.16 177.41 3d5m h ASP 177 N 0.70 0.67 0.47 -2.11 3.58 -1.79 -1.98 116.42 115.95 3d5m h ASP 177 Ca 0.17 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 3d5m h ASP 177 Cb 0.23 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 3d5m h ASP 177 CO -0.01 0.82 -0.46 0.58 -2.88 0.00 0.00 179.24 177.28 3d5m h VAL 178 N 0.50 0.09 0.00 2.25 2.07 -1.78 -1.89 116.25 117.48 3d5m h VAL 178 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3d5m h VAL 178 Cb 0.48 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3d5m h VAL 178 CO 0.02 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.24 3d5m h VAL 179 N -0.94 0.00 0.00 2.57 -1.51 -1.02 0.86 116.25 116.21 3d5m h VAL 179 Ca -0.05 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 3d5m h VAL 179 Cb 0.82 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3d5m h VAL 179 CO -0.06 0.00 -0.71 0.28 -1.23 0.00 0.00 177.57 175.84 3d5m h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.05 -3.42 113.55 113.28 3d5m h SER 180 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3d5m h SER 180 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3d5m h SER 180 CO 0.00 0.05 -0.99 0.41 -1.14 0.00 0.00 176.83 175.16 3d5m n THR 181 N -2.84 0.00 -0.15 -2.27 -1.04 -0.69 -4.67 114.28 102.62 3d5m n THR 181 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3d5m n THR 181 Cb 0.57 -0.53 -0.00 0.00 -1.82 0.00 0.00 70.33 68.54 3d5m n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3d5m h LEU 182 N 0.00 0.66 -1.22 -4.42 5.85 -1.08 -3.22 115.31 111.88 3d5m h LEU 182 Ca 0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3d5m h LEU 182 Cb 0.99 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3d5m h LEU 182 CO 0.00 0.72 0.33 -0.65 -0.34 0.00 0.00 178.44 178.50 3d5m h PRO 183 N 0.57 0.87 -0.11 5.25 0.11 -1.82 0.28 132.00 137.16 3d5m h PRO 183 Ca 0.14 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 66.01 3d5m h PRO 183 Cb 0.31 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3d5m h PRO 183 CO 0.00 0.65 -0.56 0.37 -0.21 0.00 0.00 178.00 178.25 3d5m h GLN 184 N 0.88 0.33 -0.24 1.05 -0.00 -1.89 0.28 115.11 115.51 3d5m h GLN 184 Ca 0.22 -0.21 -0.12 0.00 -0.00 0.00 0.00 58.65 58.54 3d5m h GLN 184 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.54 3d5m h GLN 184 CO -0.03 0.80 -0.33 0.28 0.00 0.00 0.00 178.83 179.55 3d5m h VAL 185 N 0.25 1.31 -0.22 2.39 2.07 -1.34 -0.44 116.25 120.28 3d5m h VAL 185 Ca 0.00 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.90 3d5m h VAL 185 Cb 1.07 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3d5m h VAL 185 CO 0.09 0.48 -0.23 0.58 0.02 0.00 0.00 177.57 178.51 3d5m h VAL 186 N 0.37 1.32 0.00 2.57 2.07 -0.92 -3.38 116.25 118.28 3d5m h VAL 186 Ca 0.03 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3d5m h VAL 186 Cb 0.91 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3d5m h VAL 186 CO 0.08 0.43 -1.01 0.23 0.02 0.00 0.00 177.57 177.32 3d5m n MET 187 N -4.39 1.36 0.00 1.57 2.81 0.08 -4.91 117.12 113.64 3d5m n MET 187 Ca -0.05 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3d5m n MET 187 Cb 0.43 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3d5m n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d5m n GLY 188 N 1.42 3.30 0.15 3.03 0.00 -0.17 -2.27 105.19 110.65 3d5m n GLY 188 Ca 0.02 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3d5m n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d5m h SER 189 N 3.07 0.00 1.07 1.61 4.64 -1.96 -1.92 113.55 120.06 3d5m h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d5m h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d5m h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3d5m n SER 190 N -2.32 0.64 -4.59 4.97 7.64 -0.96 -4.70 113.62 114.30 3d5m n SER 190 Ca 0.01 0.60 -0.43 0.00 1.01 0.00 0.00 58.87 60.07 3d5m n SER 190 Cb 0.19 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 3d5m n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3d5m s TYR 191 N -3.17 2.74 0.20 1.43 5.04 -0.72 -1.03 117.35 121.84 3d5m s TYR 191 Ca 0.08 0.54 0.05 0.00 -2.44 0.00 0.00 57.07 55.30 3d5m s TYR 191 Cb 0.11 -4.42 0.13 0.00 0.35 0.00 0.00 41.96 38.13 3d5m s TYR 191 CO 0.49 -1.38 1.47 0.78 -1.34 0.00 0.00 175.55 175.57 3d5m h GLY 192 N 11.43 0.18 1.95 8.97 0.00 -1.01 -3.24 103.07 121.34 3d5m h GLY 192 Ca -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3d5m h GLY 192 CO 1.14 0.24 0.00 0.69 0.00 0.00 0.00 176.54 178.61 3d5m n PHE 193 N -3.73 0.00 1.11 5.60 3.72 -1.26 -2.22 117.46 120.68 3d5m n PHE 193 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 3d5m n PHE 193 Cb 0.72 -0.48 0.62 0.00 -0.94 0.00 0.00 39.48 39.40 3d5m n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d5m n GLN 194 N -1.48 0.23 -4.19 -1.08 10.64 -1.22 -3.69 117.38 116.59 3d5m n GLN 194 Ca 0.02 0.05 -0.35 0.00 -1.83 0.00 0.00 57.00 54.88 3d5m n GLN 194 Cb 0.09 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 27.88 3d5m n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3d5m s TYR 195 N -2.74 3.27 0.97 2.61 2.02 -0.94 -4.65 117.35 117.90 3d5m s TYR 195 Ca 0.20 0.23 -0.12 0.00 -0.37 0.00 0.00 57.07 57.01 3d5m s TYR 195 Cb 0.17 -1.88 0.17 0.00 -0.40 0.00 0.00 41.96 40.02 3d5m s TYR 195 CO 0.43 0.45 1.09 -1.54 -1.57 0.00 0.00 175.55 174.42 3d5m s SER 196 N -0.64 2.85 0.28 2.29 1.04 -1.26 -4.79 113.70 113.46 3d5m s SER 196 Ca 0.11 1.26 0.01 0.00 0.48 0.00 0.00 55.95 57.81 3d5m s SER 196 Cb -0.12 -1.93 0.55 0.00 0.10 0.00 0.00 66.02 64.62 3d5m s SER 196 CO 0.02 -3.00 1.82 -0.65 0.98 0.00 0.00 173.24 172.42 3d5m h PRO 197 N -1.80 0.91 -0.48 4.02 0.11 -1.91 -0.76 132.00 132.09 3d5m h PRO 197 Ca -0.53 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 3d5m h PRO 197 Cb 1.32 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3d5m h PRO 197 CO 0.57 0.60 0.29 0.78 -0.21 0.00 0.00 178.00 180.03 3d5m h GLY 198 N 0.94 0.69 1.48 -0.55 0.00 -1.72 -1.90 103.07 102.01 3d5m h GLY 198 Ca 0.49 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 3d5m h GLY 198 CO -0.28 0.28 -0.51 1.46 0.00 0.00 0.00 176.54 177.49 3d5m h GLN 199 N 0.64 0.56 -0.07 4.80 4.20 -1.73 -2.07 115.11 121.44 3d5m h GLN 199 Ca 0.17 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3d5m h GLN 199 Cb -0.02 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3d5m h GLN 199 CO -0.03 0.93 0.02 -0.09 -0.67 0.00 0.00 178.83 178.99 3d5m h ARG 200 N 0.44 0.11 -0.67 1.46 2.43 -0.93 0.22 114.38 117.44 3d5m h ARG 200 Ca 0.02 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3d5m h ARG 200 Cb 1.04 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 3d5m h ARG 200 CO 0.10 0.29 0.26 -0.24 -1.51 0.00 0.00 179.97 178.86 3d5m h VAL 201 N -0.09 1.23 -0.11 0.20 3.04 -1.38 0.16 116.25 119.31 3d5m h VAL 201 Ca 0.02 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3d5m h VAL 201 Cb 0.23 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 3d5m h VAL 201 CO -0.00 0.30 0.07 -0.08 -1.01 0.00 0.00 177.57 176.85 3d5m h GLU 202 N 0.97 0.14 -0.49 4.17 4.81 -1.16 -0.58 114.58 122.44 3d5m h GLU 202 Ca 0.23 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3d5m h GLU 202 Cb 0.20 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3d5m h GLU 202 CO -0.02 0.11 0.01 0.35 -0.73 0.00 0.00 179.01 178.73 3d5m h PHE 203 N 0.13 0.86 -0.15 0.92 3.57 -0.07 -1.09 116.94 121.10 3d5m h PHE 203 Ca 0.04 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 3d5m h PHE 203 Cb 0.00 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3d5m h PHE 203 CO -0.07 0.79 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.70 3d5m h LEU 204 N 0.75 0.29 -0.02 0.59 3.38 -0.50 -1.85 115.31 117.96 3d5m h LEU 204 Ca 0.15 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3d5m h LEU 204 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3d5m h LEU 204 CO 0.02 0.58 0.00 0.58 0.09 0.00 0.00 178.44 179.71 3d5m h VAL 205 N 0.00 1.22 -0.52 1.22 2.07 -0.99 -0.61 116.25 118.63 3d5m h VAL 205 Ca 0.04 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3d5m h VAL 205 Cb 0.45 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3d5m h VAL 205 CO 0.01 0.17 0.26 0.78 0.02 0.00 0.00 177.57 178.82 3d5m h ASN 206 N -0.24 0.37 -0.19 0.57 4.21 -1.27 -0.83 115.58 118.21 3d5m h ASN 206 Ca 0.01 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.56 3d5m h ASN 206 Cb 0.28 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 3d5m h ASN 206 CO 0.00 0.25 0.08 0.74 -1.29 0.00 0.00 177.43 177.22 3d5m h THR 207 N 0.51 0.98 -0.34 2.81 2.02 -1.30 -1.08 112.91 116.51 3d5m h THR 207 Ca 0.23 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.40 3d5m h THR 207 Cb 0.15 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3d5m h THR 207 CO -0.17 0.03 0.06 -0.25 0.37 0.00 0.00 175.52 175.57 3d5m h TRP 208 N 0.18 0.10 -0.01 3.16 2.91 -0.48 -2.33 115.95 119.48 3d5m h TRP 208 Ca 0.08 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.12 3d5m h TRP 208 Cb 0.03 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 3d5m h TRP 208 CO -0.10 0.01 -0.07 0.36 -1.03 0.00 0.00 178.44 177.61 3d5m n LYS 209 N -5.10 0.99 0.04 2.65 2.85 -0.37 -2.51 118.16 116.71 3d5m n LYS 209 Ca 0.01 -0.38 0.13 0.00 -1.05 0.00 0.00 58.31 57.02 3d5m n LYS 209 Cb 0.15 -1.49 0.52 0.00 -0.65 0.00 0.00 35.03 33.56 3d5m n LYS 209 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3d5m n SER 210 N -0.67 0.26 -4.82 -5.58 3.41 -0.42 -4.80 113.62 101.00 3d5m n SER 210 Ca 0.17 0.53 -0.38 0.00 -0.26 0.00 0.00 58.87 58.93 3d5m n SER 210 Cb 0.27 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 3d5m n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3d5m s LYS 211 N -3.04 4.01 0.05 4.33 -0.14 -1.04 -5.00 119.74 118.90 3d5m s LYS 211 Ca 0.12 0.49 -0.23 0.00 -1.36 0.00 0.00 55.97 54.99 3d5m s LYS 211 Cb 0.16 -3.24 -0.16 0.00 -1.68 0.00 0.00 37.83 32.91 3d5m s LYS 211 CO 0.52 0.65 1.54 0.87 -0.76 0.00 0.00 175.35 178.16 3d5m h LYS 212 N 4.78 0.06 -2.89 1.68 1.57 -1.88 -3.37 116.57 116.53 3d5m h LYS 212 Ca -0.51 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.65 3d5m h LYS 212 Cb 1.22 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 3d5m h LYS 212 CO 0.63 0.26 -0.76 -0.80 -0.57 0.00 0.00 179.45 178.21 3d5m s ASN 213 N -5.47 3.44 0.38 0.86 0.01 -1.26 -5.07 114.94 107.83 3d5m s ASN 213 Ca -0.14 -2.83 -0.27 0.00 -0.71 0.00 0.00 52.86 48.90 3d5m s ASN 213 Cb 0.05 -0.99 -0.09 0.00 0.41 0.00 0.00 41.25 40.62 3d5m s ASN 213 CO 0.68 -0.23 1.33 -2.16 -1.51 0.00 0.00 177.10 175.20 3d5m s PRO 214 N 0.10 4.09 0.03 -0.60 0.04 -1.26 0.58 135.00 137.99 3d5m s PRO 214 Ca 0.21 2.23 0.02 0.00 0.04 0.00 0.00 61.00 63.50 3d5m s PRO 214 Cb -0.17 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 3d5m s PRO 214 CO -0.05 -0.42 -0.07 1.41 0.04 0.00 0.00 177.00 177.91 3d5m s MET 215 N -2.10 0.50 0.04 4.56 1.75 -0.28 -4.66 119.30 119.10 3d5m s MET 215 Ca 0.54 -0.62 -0.09 0.00 -1.25 0.00 0.00 55.69 54.27 3d5m s MET 215 Cb -0.40 -0.31 0.00 0.00 2.84 0.00 0.00 34.83 36.97 3d5m s MET 215 CO 0.52 0.06 0.20 0.20 -0.65 0.00 0.00 175.02 175.35 3d5m s GLY 216 N -1.23 0.03 -0.09 2.11 0.00 -0.27 -0.12 107.32 107.75 3d5m s GLY 216 Ca -0.07 -0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.17 3d5m s GLY 216 CO 0.00 -0.44 0.51 -0.11 0.00 0.00 0.00 173.10 173.06 3d5m s PHE 217 N -2.51 -0.47 0.10 1.90 -0.71 -0.29 0.07 117.98 116.07 3d5m s PHE 217 Ca -0.06 0.94 -0.13 0.00 -1.04 0.00 0.00 56.93 56.65 3d5m s PHE 217 Cb -0.01 0.23 -0.06 0.00 -1.21 0.00 0.00 43.02 41.97 3d5m s PHE 217 CO -0.04 -0.43 0.48 -1.54 -1.34 0.00 0.00 175.22 172.36 3d5m s SER 218 N -0.74 6.76 -0.27 1.98 1.04 -1.26 -0.47 113.70 120.74 3d5m s SER 218 Ca -0.08 0.97 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 3d5m s SER 218 Cb -0.03 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.89 3d5m s SER 218 CO 0.05 0.16 -0.06 -0.47 0.98 0.00 0.00 173.24 173.90 3d5m s TYR 219 N -1.39 3.16 -0.59 5.02 5.04 -0.36 -4.63 117.35 123.60 3d5m s TYR 219 Ca 0.34 -1.82 -0.19 0.00 -2.44 0.00 0.00 57.07 52.96 3d5m s TYR 219 Cb -0.15 -2.04 0.09 0.00 0.35 0.00 0.00 41.96 40.21 3d5m s TYR 219 CO 0.18 -0.79 0.74 0.34 -1.34 0.00 0.00 175.55 174.68 3d5m s ASP 220 N 1.25 6.19 0.22 4.32 2.15 -1.26 -4.21 116.67 125.33 3d5m s ASP 220 Ca -0.03 -1.32 -0.30 0.00 0.43 0.00 0.00 52.55 51.33 3d5m s ASP 220 Cb -0.18 -2.32 -0.09 0.00 -0.30 0.00 0.00 42.92 40.03 3d5m s ASP 220 CO -0.04 -1.14 1.32 -0.89 -0.17 0.00 0.00 175.17 174.25 3d5m s THR 221 N 2.89 3.11 -0.21 1.71 2.01 -1.26 0.62 115.64 124.50 3d5m s THR 221 Ca 0.13 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 3d5m s THR 221 Cb -0.23 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 3d5m s THR 221 CO 0.07 0.15 1.61 -0.60 -0.69 0.00 0.00 174.62 175.17 3d5m s ARG 222 N -0.29 3.81 -0.79 4.92 3.52 -0.60 -4.08 118.95 125.43 3d5m s ARG 222 Ca 0.56 1.68 -0.03 0.00 -0.13 0.00 0.00 55.73 57.81 3d5m s ARG 222 Cb -0.37 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 28.99 3d5m s ARG 222 CO 0.40 -1.27 0.62 0.00 -0.81 0.00 0.00 175.30 174.23 3d5m h PHE 224 N -0.00 -0.45 -0.99 0.00 3.04 -1.96 -1.34 116.94 115.23 3d5m h PHE 224 Ca -0.56 0.06 0.16 0.00 3.98 0.00 0.00 57.97 61.60 3d5m h PHE 224 Cb 1.36 0.29 -0.09 0.00 2.56 0.00 0.00 35.95 40.07 3d5m h PHE 224 CO 0.21 -0.30 0.62 -0.44 -2.02 0.00 0.00 178.31 176.38 3d5m h ASP 225 N -0.04 0.82 0.76 0.41 5.19 -1.91 0.16 116.42 121.81 3d5m h ASP 225 Ca 0.29 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.70 3d5m h ASP 225 Cb 0.49 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3d5m h ASP 225 CO -0.65 0.37 -0.32 0.28 -3.12 0.00 0.00 179.24 175.79 3d5m h SER 226 N 0.84 0.00 1.02 6.45 0.02 -1.55 -1.80 113.55 118.52 3d5m h SER 226 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3d5m h SER 226 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3d5m h SER 226 CO -0.31 0.32 -0.09 0.35 -1.14 0.00 0.00 176.83 175.96 3d5m n THR 227 N -3.57 0.13 -2.45 -2.27 -2.24 0.54 -4.77 114.28 99.64 3d5m n THR 227 Ca -0.01 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3d5m n THR 227 Cb 0.46 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3d5m n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d5m s VAL 228 N -3.03 4.23 0.45 2.28 1.01 -1.08 -4.78 120.40 119.48 3d5m s VAL 228 Ca 0.13 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.75 3d5m s VAL 228 Cb 0.17 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3d5m s VAL 228 CO 0.57 0.02 0.61 0.42 0.00 0.00 0.00 175.10 176.72 3d5m s THR 229 N 2.06 2.87 0.22 3.92 -4.23 -1.26 -3.99 115.64 115.23 3d5m s THR 229 Ca 0.56 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 60.02 3d5m s THR 229 Cb -0.25 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 70.86 3d5m s THR 229 CO 0.23 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 176.09 3d5m h GLU 230 N 0.53 0.94 -0.49 3.99 4.81 -1.86 -2.32 114.58 120.18 3d5m h GLU 230 Ca -0.39 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 3d5m h GLU 230 Cb 1.28 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 30.36 3d5m h GLU 230 CO 0.45 0.62 -0.07 -0.97 -0.73 0.00 0.00 179.01 178.31 3d5m h ASN 231 N 0.97 -0.36 -0.97 1.04 -1.24 -1.96 0.55 115.58 113.61 3d5m h ASN 231 Ca 0.32 0.14 0.04 0.00 0.71 0.00 0.00 56.30 57.50 3d5m h ASN 231 Cb 0.02 0.27 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 3d5m h ASN 231 CO -0.11 -0.13 0.64 0.44 -1.29 0.00 0.00 177.43 176.97 3d5m h ASP 232 N 0.04 1.06 -0.07 1.15 3.32 -1.81 0.15 116.42 120.27 3d5m h ASP 232 Ca 0.24 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.04 3d5m h ASP 232 Cb 0.37 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.69 3d5m h ASP 232 CO -0.47 0.72 -0.91 0.40 -1.72 0.00 0.00 179.24 177.27 3d5m h ILE 233 N 1.23 1.28 -0.73 0.35 2.04 -0.97 0.19 117.51 120.89 3d5m h ILE 233 Ca 0.39 -2.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 3d5m h ILE 233 Cb 0.01 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3d5m h ILE 233 CO -0.13 0.66 0.26 0.03 0.00 0.00 0.00 178.15 178.97 3d5m h ARG 234 N 0.47 1.12 -0.48 2.37 3.08 -0.72 -1.14 114.38 119.08 3d5m h ARG 234 Ca -0.09 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 3d5m h ARG 234 Cb 1.55 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 3d5m h ARG 234 CO 0.18 0.94 0.29 0.28 -1.07 0.00 0.00 179.97 180.59 3d5m h VAL 235 N 1.07 1.15 -0.19 2.04 2.07 -0.48 -0.57 116.25 121.35 3d5m h VAL 235 Ca 0.24 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3d5m h VAL 235 Cb 0.26 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3d5m h VAL 235 CO -0.01 0.15 -0.12 -0.33 0.02 0.00 0.00 177.57 177.28 3d5m h GLU 236 N 0.64 -0.11 -0.83 1.57 5.08 -0.39 -2.42 114.58 118.12 3d5m h GLU 236 Ca 0.17 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 3d5m h GLU 236 Cb -0.01 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 3d5m h GLU 236 CO -0.03 -0.08 0.49 1.49 -1.00 0.00 0.00 179.01 179.88 3d5m h GLU 237 N -0.12 0.81 0.00 2.33 4.57 -0.98 -1.06 114.58 120.13 3d5m h GLU 237 Ca 0.11 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3d5m h GLU 237 Cb 0.28 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3d5m h GLU 237 CO -0.26 0.54 -0.13 0.66 -1.18 0.00 0.00 179.01 178.63 3d5m h SER 238 N 0.83 0.00 -0.06 1.04 4.64 -0.74 -0.56 113.55 118.71 3d5m h SER 238 Ca 0.39 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.60 3d5m h SER 238 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3d5m h SER 238 CO -0.23 0.13 -0.39 0.40 -0.87 0.00 0.00 176.83 175.87 3d5m h ILE 239 N 0.00 1.43 -0.70 0.95 2.04 -0.76 -3.09 117.51 117.37 3d5m h ILE 239 Ca -0.00 -1.82 0.08 0.00 1.00 0.00 0.00 64.86 64.12 3d5m h ILE 239 Cb 0.27 2.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.67 3d5m h ILE 239 CO 0.02 0.53 0.36 1.88 0.00 0.00 0.00 178.15 180.94 3d5m h TYR 240 N -0.13 0.65 0.00 1.37 0.05 -0.53 -2.66 116.97 115.72 3d5m h TYR 240 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3d5m h TYR 240 Cb 1.06 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3d5m h TYR 240 CO 0.13 0.26 0.00 1.96 -1.05 0.00 0.00 178.16 179.46 3d5m h GLN 241 N 0.63 0.00 0.00 4.88 1.08 -1.16 -1.97 115.11 118.57 3d5m h GLN 241 Ca 0.34 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 3d5m h GLN 241 Cb 0.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3d5m h GLN 241 CO -0.25 0.00 -0.08 0.00 -0.95 0.00 0.00 178.83 177.56 3d5m s ASP 244 N -2.04 6.49 0.11 0.00 -1.08 0.79 -4.95 116.67 115.98 3d5m s ASP 244 Ca 0.74 0.52 0.05 0.00 -0.52 0.00 0.00 52.55 53.34 3d5m s ASP 244 Cb -0.28 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.60 3d5m s ASP 244 CO 0.43 -1.37 -0.14 -0.76 0.52 0.00 0.00 175.17 173.86 3d5m s LEU 245 N 4.92 2.37 0.38 -1.34 1.43 -1.26 -1.22 118.68 123.96 3d5m s LEU 245 Ca 0.52 -0.77 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 3d5m s LEU 245 Cb -0.09 -0.51 -0.10 0.00 0.03 0.00 0.00 46.19 45.52 3d5m s LEU 245 CO 0.31 -0.14 1.36 0.00 0.23 0.00 0.00 176.35 178.11 3d5m s ALA 246 N -1.97 3.41 0.36 4.21 0.00 -1.26 -4.83 121.76 121.68 3d5m s ALA 246 Ca 0.06 1.35 0.17 0.00 0.00 0.00 0.00 51.96 53.54 3d5m s ALA 246 Cb -0.06 -3.52 1.18 0.00 0.00 0.00 0.00 23.12 20.72 3d5m s ALA 246 CO 0.02 -0.86 1.64 -1.35 0.00 0.00 0.00 175.76 175.22 3d5m h PRO 247 N 2.96 0.22 -0.27 0.00 0.10 -2.00 0.12 132.00 133.13 3d5m h PRO 247 Ca -0.50 -0.01 -0.07 0.00 0.10 0.00 0.00 66.00 65.52 3d5m h PRO 247 Cb 1.24 -0.05 -0.02 0.00 0.10 0.00 0.00 31.00 32.27 3d5m h PRO 247 CO 0.64 0.15 -0.14 0.93 0.10 0.00 0.00 178.00 179.68 3d5m h GLU 248 N 0.23 0.47 -0.10 1.05 5.08 -1.99 -2.22 114.58 117.08 3d5m h GLU 248 Ca 0.77 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.94 3d5m h GLU 248 Cb 1.88 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 3d5m h GLU 248 CO -0.63 0.60 -0.14 0.00 -1.00 0.00 0.00 179.01 177.84 3d5m h ALA 249 N 1.43 0.16 -0.61 3.43 0.00 -1.13 -1.42 119.26 121.12 3d5m h ALA 249 Ca 0.08 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.78 3d5m h ALA 249 Cb 0.50 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 3d5m h ALA 249 CO 0.03 0.04 -0.14 0.00 0.00 0.00 0.00 179.25 179.18 3d5m h ARG 250 N -0.15 0.01 -0.29 0.00 3.08 -1.37 0.75 114.38 116.41 3d5m h ARG 250 Ca 0.01 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3d5m h ARG 250 Cb 0.70 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3d5m h ARG 250 CO 0.03 0.00 0.06 0.37 -1.07 0.00 0.00 179.97 179.37 3d5m h GLN 251 N 0.01 0.46 -0.63 0.04 5.75 -1.33 -1.14 115.11 118.27 3d5m h GLN 251 Ca 0.29 -0.12 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 3d5m h GLN 251 Cb 0.45 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3d5m h GLN 251 CO -0.62 0.56 0.14 0.00 -2.65 0.00 0.00 178.83 176.26 3d5m h ALA 252 N 0.88 0.83 -0.35 3.38 0.00 -0.88 -0.20 119.26 122.93 3d5m h ALA 252 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3d5m h ALA 252 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3d5m h ALA 252 CO 0.00 0.56 0.12 0.82 0.00 0.00 0.00 179.25 180.75 3d5m h ILE 253 N 0.93 1.20 -0.23 0.00 2.04 -0.78 0.38 117.51 121.06 3d5m h ILE 253 Ca 0.20 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3d5m h ILE 253 Cb 0.37 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3d5m h ILE 253 CO 0.00 0.22 0.14 0.50 0.00 0.00 0.00 178.15 179.02 3d5m h LYS 254 N 0.41 0.30 -0.51 2.37 3.64 -1.06 -1.58 116.57 120.15 3d5m h LYS 254 Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3d5m h LYS 254 Cb 0.23 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3d5m h LYS 254 CO -0.01 0.22 0.19 1.03 -2.27 0.00 0.00 179.45 178.61 3d5m h SER 255 N 0.29 0.72 -0.62 4.20 0.87 -0.76 -1.60 113.55 116.66 3d5m h SER 255 Ca 0.08 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3d5m h SER 255 Cb -0.01 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3d5m h SER 255 CO -0.02 0.71 0.26 -0.07 -0.53 0.00 0.00 176.83 177.18 3d5m h LEU 256 N 0.69 0.87 0.30 2.23 3.38 -0.14 -0.85 115.31 121.78 3d5m h LEU 256 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3d5m h LEU 256 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d5m h LEU 256 CO -0.01 0.77 -0.14 0.74 0.09 0.00 0.00 178.44 179.89 3d5m h THR 257 N 0.93 0.73 -0.28 0.22 2.02 -1.04 0.23 112.91 115.72 3d5m h THR 257 Ca 0.22 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3d5m h THR 257 Cb 0.18 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3d5m h THR 257 CO -0.02 0.04 -0.26 -0.33 0.37 0.00 0.00 175.52 175.32 3d5m h GLU 258 N -0.49 0.56 0.00 6.66 4.39 -1.24 -1.34 114.58 123.12 3d5m h GLU 258 Ca -0.04 -0.22 -0.25 0.00 0.34 0.00 0.00 59.36 59.19 3d5m h GLU 258 Cb 0.36 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 3d5m h GLU 258 CO 0.07 0.77 -2.10 0.54 -1.16 0.00 0.00 179.01 177.12 3d5m n ARG 259 N -4.11 0.67 0.02 2.33 1.74 -0.33 -4.74 116.66 112.24 3d5m n ARG 259 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3d5m n ARG 259 Cb 0.42 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3d5m n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3d5m n LEU 260 N -2.68 0.20 -0.14 0.55 7.94 0.60 -0.57 117.00 122.91 3d5m n LEU 260 Ca -0.22 0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.64 3d5m n LEU 260 Cb 0.96 -0.03 -0.02 0.00 0.53 0.00 0.00 43.42 44.86 3d5m n LEU 260 CO 0.44 -0.31 0.72 1.88 -1.11 0.00 0.00 177.39 179.02 3d5m h TYR 261 N 0.00 0.86 -0.59 1.96 0.05 -0.90 -2.88 116.97 115.47 3d5m h TYR 261 Ca 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 3d5m h TYR 261 Cb 0.53 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3d5m h TYR 261 CO 0.00 0.89 0.26 0.82 -1.05 0.00 0.00 178.16 179.09 3d5m h ILE 262 N 0.58 1.20 0.00 -2.88 2.04 -1.49 -3.41 117.51 113.55 3d5m h ILE 262 Ca 0.10 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3d5m h ILE 262 Cb 0.61 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3d5m h ILE 262 CO 0.04 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.04 3d5m n GLY 263 N -1.11 -1.85 0.00 5.37 0.00 -1.09 -4.08 105.19 102.43 3d5m n GLY 263 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3d5m n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5m n GLY 264 N -0.54 -0.13 3.81 -0.02 0.00 -0.99 -4.09 105.19 103.23 3d5m n GLY 264 Ca 0.00 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 3d5m n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d5m s PRO 265 N -1.89 3.30 -0.11 1.61 0.04 -1.26 -1.35 135.00 135.33 3d5m s PRO 265 Ca 0.00 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.22 3d5m s PRO 265 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3d5m s PRO 265 CO 0.00 -0.82 -0.23 -0.51 0.04 0.00 0.00 177.00 175.48 3d5m s LEU 266 N -4.65 2.07 -0.03 -3.56 1.43 -0.27 -3.09 118.68 110.59 3d5m s LEU 266 Ca 0.62 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3d5m s LEU 266 Cb -0.15 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3d5m s LEU 266 CO 0.40 0.13 -0.23 -0.89 0.23 0.00 0.00 176.35 175.98 3d5m s THR 267 N 0.49 1.86 0.95 5.49 2.01 -0.44 0.43 115.64 126.43 3d5m s THR 267 Ca -0.15 -0.99 -0.14 0.00 0.31 0.00 0.00 61.69 60.72 3d5m s THR 267 Cb -0.17 -1.55 0.21 0.00 0.01 0.00 0.00 72.50 70.99 3d5m s THR 267 CO 0.06 0.52 1.29 0.54 -0.69 0.00 0.00 174.62 176.35 3d5m s ASN 268 N -0.40 3.08 0.52 3.53 2.20 -0.46 -0.72 114.94 122.70 3d5m s ASN 268 Ca 0.05 0.06 0.27 0.00 -0.94 0.00 0.00 52.86 52.29 3d5m s ASN 268 Cb -0.10 -0.07 1.44 0.00 -2.00 0.00 0.00 41.25 40.51 3d5m s ASN 268 CO 0.01 -2.73 2.07 0.77 -2.94 0.00 0.00 177.10 174.27 3d5m h SER 269 N -1.56 0.00 -0.04 3.54 4.64 -1.77 -0.90 113.55 117.47 3d5m h SER 269 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3d5m h SER 269 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3d5m h SER 269 CO 0.33 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.70 3d5m n LYS 270 N -3.64 1.38 -0.96 4.77 5.02 -1.26 -4.92 118.16 118.55 3d5m n LYS 270 Ca -0.02 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 3d5m n LYS 270 Cb 0.24 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3d5m n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5m n GLY 271 N 1.06 0.48 3.80 0.72 0.00 -0.34 -5.04 105.19 105.88 3d5m n GLY 271 Ca 0.19 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3d5m n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5m s GLN 272 N -0.68 4.31 0.02 1.61 -0.21 -1.26 -4.84 119.66 118.61 3d5m s GLN 272 Ca 0.00 0.89 -0.30 0.00 0.02 0.00 0.00 55.36 55.97 3d5m s GLN 272 Cb 0.00 -3.11 -0.06 0.00 1.00 0.00 0.00 33.01 30.84 3d5m s GLN 272 CO 0.00 0.53 1.49 1.21 -2.12 0.00 0.00 175.29 176.40 3d5m s ASN 273 N -1.34 6.77 -0.02 5.90 3.04 -1.26 -1.36 114.94 126.66 3d5m s ASN 273 Ca 0.36 2.23 0.18 0.00 0.04 0.00 0.00 52.86 55.67 3d5m s ASN 273 Cb -0.19 -2.56 -0.26 0.00 -1.54 0.00 0.00 41.25 36.70 3d5m s ASN 273 CO 0.22 -0.78 0.48 0.00 -3.04 0.00 0.00 177.10 173.98 3d5m n GLY 275 N 1.46 0.31 3.07 0.00 0.00 -1.21 -1.28 105.19 107.54 3d5m n GLY 275 Ca -0.02 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 3d5m n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d5m s TYR 276 N -4.00 -0.13 -0.06 1.61 5.04 -0.21 -1.11 117.35 118.49 3d5m s TYR 276 Ca 0.00 0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 3d5m s TYR 276 Cb 0.00 0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.32 3d5m s TYR 276 CO 0.00 -0.15 -0.09 0.50 -1.34 0.00 0.00 175.55 174.47 3d5m s ARG 277 N -0.31 2.67 -0.09 4.97 3.52 -0.46 -1.27 118.95 127.98 3d5m s ARG 277 Ca -0.04 -0.60 0.17 0.00 -0.13 0.00 0.00 55.73 55.13 3d5m s ARG 277 Cb -0.03 -2.52 0.35 0.00 -1.56 0.00 0.00 34.95 31.19 3d5m s ARG 277 CO 0.01 0.65 1.16 0.54 -0.81 0.00 0.00 175.30 176.85 3d5m n ARG 278 N 2.24 0.69 -2.93 5.12 1.74 0.82 -2.36 116.66 121.98 3d5m n ARG 278 Ca -0.18 -2.38 -0.08 0.00 -0.77 0.00 0.00 57.85 54.44 3d5m n ARG 278 Cb 0.53 -0.79 -0.03 0.00 -1.02 0.00 0.00 32.46 31.14 3d5m n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d5m n ARG 280 N -0.28 2.73 -2.71 0.00 3.00 -0.70 -4.66 116.66 114.05 3d5m n ARG 280 Ca 0.03 0.98 -0.42 0.00 -0.00 0.00 0.00 57.85 58.44 3d5m n ARG 280 Cb 0.27 -2.81 -0.03 0.00 0.00 0.00 0.00 32.46 29.88 3d5m n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d5m s ALA 281 N 0.95 3.18 -0.62 5.13 0.00 -1.26 -4.76 121.76 124.37 3d5m s ALA 281 Ca 0.73 0.55 0.26 0.00 0.00 0.00 0.00 51.96 53.50 3d5m s ALA 281 Cb -0.51 -3.34 0.81 0.00 0.00 0.00 0.00 23.12 20.09 3d5m s ALA 281 CO 0.35 -0.21 1.75 0.66 0.00 0.00 0.00 175.76 178.32 3d5m h SER 282 N 6.65 0.00 -0.76 0.00 4.64 -1.90 -3.33 113.55 118.85 3d5m h SER 282 Ca -0.41 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 3d5m h SER 282 Cb 1.22 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.96 3d5m h SER 282 CO 0.75 0.00 -0.24 0.61 -0.87 0.00 0.00 176.83 177.08 3d5m n GLY 283 N 0.99 6.05 3.60 -0.77 0.00 0.26 -4.15 105.19 111.17 3d5m n GLY 283 Ca 0.05 -2.37 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 3d5m n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d5m s VAL 284 N -4.48 3.20 0.26 1.61 -7.23 -1.18 -4.40 120.40 108.19 3d5m s VAL 284 Ca 0.54 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3d5m s VAL 284 Cb 0.44 -2.70 0.25 0.00 0.56 0.00 0.00 36.38 34.93 3d5m s VAL 284 CO 0.02 -0.36 1.85 0.25 -0.31 0.00 0.00 175.10 176.54 3d5m h LEU 285 N 2.06 0.89 0.00 1.32 5.85 -1.80 -2.37 115.31 121.25 3d5m h LEU 285 Ca -0.43 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3d5m h LEU 285 Cb 1.25 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3d5m h LEU 285 CO 0.60 0.52 0.00 0.35 -0.34 0.00 0.00 178.44 179.57 3d5m n THR 286 N -4.61 0.00 0.04 1.05 -2.24 -1.26 -4.36 114.28 102.89 3d5m n THR 286 Ca 0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.83 3d5m n THR 286 Cb 0.26 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 3d5m n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3d5m h THR 287 N 0.00 0.63 0.46 4.28 2.02 -1.68 0.81 112.91 119.43 3d5m h THR 287 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3d5m h THR 287 Cb 0.00 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3d5m h THR 287 CO 0.00 0.00 -0.22 -1.28 0.37 0.00 0.00 175.52 174.39 3d5m h SER 288 N -0.23 -0.52 -0.43 4.18 0.87 -1.76 0.33 113.55 115.99 3d5m h SER 288 Ca 0.06 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3d5m h SER 288 Cb 0.31 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3d5m h SER 288 CO -0.17 -0.25 0.19 0.00 -0.53 0.00 0.00 176.83 176.07 3d5m h GLY 290 N 0.56 -0.11 1.00 0.00 0.00 0.63 -0.80 103.07 104.34 3d5m h GLY 290 Ca 0.15 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3d5m h GLY 290 CO -0.02 -0.08 0.45 3.43 0.00 0.00 0.00 176.54 180.32 3d5m h ASN 291 N -0.15 0.78 0.21 0.19 2.35 -0.77 -1.73 115.58 116.46 3d5m h ASN 291 Ca 0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3d5m h ASN 291 Cb 0.17 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3d5m h ASN 291 CO -0.05 0.56 -0.10 0.74 -1.65 0.00 0.00 177.43 176.93 3d5m h THR 292 N 0.92 0.84 -0.56 2.81 2.02 -0.80 0.27 112.91 118.41 3d5m h THR 292 Ca 0.25 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3d5m h THR 292 Cb -0.10 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 3d5m h THR 292 CO -0.06 0.05 0.24 -0.07 0.37 0.00 0.00 175.52 176.06 3d5m h LEU 293 N -0.40 0.30 -0.33 2.58 3.38 -1.10 -0.14 115.31 119.59 3d5m h LEU 293 Ca -0.03 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3d5m h LEU 293 Cb 0.31 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3d5m h LEU 293 CO 0.05 0.20 -0.23 0.74 0.09 0.00 0.00 178.44 179.28 3d5m h THR 294 N 0.45 1.29 -0.52 0.22 2.02 -1.22 -0.68 112.91 114.47 3d5m h THR 294 Ca 0.26 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 3d5m h THR 294 Cb 0.25 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3d5m h THR 294 CO -0.23 0.45 0.11 0.00 0.37 0.00 0.00 175.52 176.22 3d5m h TYR 296 N 0.73 0.93 0.33 0.00 5.03 -0.94 -1.14 116.97 121.92 3d5m h TYR 296 Ca 0.16 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 3d5m h TYR 296 Cb 0.36 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.38 3d5m h TYR 296 CO 0.02 0.83 -0.16 1.25 -1.32 0.00 0.00 178.16 178.79 3d5m h LEU 297 N 0.82 -0.38 0.00 2.82 5.85 -0.97 0.70 115.31 124.16 3d5m h LEU 297 Ca 0.16 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3d5m h LEU 297 Cb 0.45 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3d5m h LEU 297 CO 0.02 -0.03 -0.00 0.11 -0.34 0.00 0.00 178.44 178.20 3d5m h LYS 298 N -0.76 -0.00 -0.09 1.25 1.57 -1.38 -1.43 116.57 115.72 3d5m h LYS 298 Ca -0.05 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3d5m h LYS 298 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3d5m h LYS 298 CO 0.08 0.07 0.03 0.00 -0.57 0.00 0.00 179.45 179.06 3d5m h ALA 299 N 0.92 0.10 -0.93 3.86 0.00 -1.28 0.22 119.26 122.15 3d5m h ALA 299 Ca -0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3d5m h ALA 299 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3d5m h ALA 299 CO 0.00 -0.43 0.57 0.77 0.00 0.00 0.00 179.25 180.16 3d5m h SER 300 N 0.08 0.84 0.49 0.00 0.02 -0.75 0.11 113.55 114.34 3d5m h SER 300 Ca 0.04 0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.83 3d5m h SER 300 Cb 0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3d5m h SER 300 CO -0.04 0.48 -0.87 0.00 -1.14 0.00 0.00 176.83 175.25 3d5m h ALA 301 N 1.49 0.50 -0.00 3.77 0.00 -0.96 -3.08 119.26 120.97 3d5m h ALA 301 Ca 0.44 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3d5m h ALA 301 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3d5m h ALA 301 CO -0.24 0.87 -0.47 0.00 0.00 0.00 0.00 179.25 179.42 3d5m h ALA 302 N 0.92 1.23 -0.57 0.00 0.00 -0.08 -2.00 119.26 118.76 3d5m h ALA 302 Ca -0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3d5m h ALA 302 Cb 1.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3d5m h ALA 302 CO 0.14 0.58 0.14 0.00 0.00 0.00 0.00 179.25 180.11 3d5m h ARG 304 N 0.81 0.63 -0.63 0.00 3.08 -1.43 -1.19 114.38 115.64 3d5m h ARG 304 Ca 0.18 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3d5m h ARG 304 Cb 0.34 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3d5m h ARG 304 CO 0.00 0.65 0.29 0.00 -1.07 0.00 0.00 179.97 179.84 3d5m h ALA 305 N 0.95 1.34 -0.00 0.04 0.00 -1.20 -2.29 119.26 118.10 3d5m h ALA 305 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d5m h ALA 305 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3d5m h ALA 305 CO 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.59 3d5m n ALA 306 N -2.45 2.76 -2.91 0.00 0.00 -0.51 -4.94 120.51 112.46 3d5m n ALA 306 Ca 0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 3d5m n ALA 306 Cb 0.14 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.25 3d5m n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3d5m n LYS 307 N -1.48 -3.56 -1.72 0.00 5.02 -0.52 -4.84 118.16 111.07 3d5m n LYS 307 Ca 0.07 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 3d5m n LYS 307 Cb 0.33 -5.51 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 3d5m n LYS 307 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d5m n LEU 308 N -3.59 3.82 -4.70 -0.35 4.77 -0.77 -4.93 117.00 111.25 3d5m n LEU 308 Ca -0.12 1.21 -0.38 0.00 -0.03 0.00 0.00 56.01 56.69 3d5m n LEU 308 Cb 0.61 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.12 3d5m n LEU 308 CO 0.40 -0.32 0.12 -1.58 -1.33 0.00 0.00 177.39 174.68 3d5m s GLN 309 N -1.78 4.26 -1.32 3.23 2.00 -1.26 -4.33 119.66 120.46 3d5m s GLN 309 Ca 0.56 0.30 -0.12 0.00 -2.00 0.00 0.00 55.36 54.10 3d5m s GLN 309 Cb -0.55 -3.48 0.01 0.00 0.80 0.00 0.00 33.01 29.79 3d5m s GLN 309 CO 0.61 0.09 0.51 -0.25 -0.50 0.00 0.00 175.29 175.75 3d5m n ASP 310 N 4.00 -2.19 -4.65 6.67 8.00 -1.26 -1.10 116.55 126.02 3d5m n ASP 310 Ca -0.08 -1.11 -0.43 0.00 0.71 0.00 0.00 54.79 53.88 3d5m n ASP 310 Cb 0.51 -2.66 -0.02 0.00 -0.02 0.00 0.00 41.12 38.93 3d5m n ASP 310 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d5m s THR 312 N 3.65 4.49 -0.03 0.00 2.01 0.15 -4.96 115.64 120.94 3d5m s THR 312 Ca 0.52 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 3d5m s THR 312 Cb -0.19 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3d5m s THR 312 CO 0.15 0.35 0.15 -0.04 -0.69 0.00 0.00 174.62 174.55 3d5m s MET 313 N 1.38 3.36 -0.14 4.92 -1.94 -1.26 -0.89 119.30 124.74 3d5m s MET 313 Ca 0.05 -0.32 -0.00 0.00 -1.71 0.00 0.00 55.69 53.71 3d5m s MET 313 Cb -0.15 -3.07 0.03 0.00 2.01 0.00 0.00 34.83 33.66 3d5m s MET 313 CO 0.04 0.69 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.50 3d5m s LEU 314 N -1.72 1.41 -0.11 -0.03 2.96 -0.23 -4.23 118.68 116.73 3d5m s LEU 314 Ca 0.24 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3d5m s LEU 314 Cb -0.12 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.68 3d5m s LEU 314 CO 0.15 -0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.19 3d5m s VAL 315 N 1.66 1.54 -0.42 1.68 1.01 -0.20 -1.70 120.40 123.96 3d5m s VAL 315 Ca 0.03 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3d5m s VAL 315 Cb -0.14 -1.40 0.13 0.00 0.00 0.00 0.00 36.38 34.97 3d5m s VAL 315 CO -0.08 0.45 0.21 0.20 0.00 0.00 0.00 175.10 175.88 3d5m s ASN 316 N 0.97 3.81 1.90 3.32 0.01 -0.18 -0.41 114.94 124.35 3d5m s ASN 316 Ca -0.07 -2.49 0.00 0.00 -0.71 0.00 0.00 52.86 49.59 3d5m s ASN 316 Cb -0.15 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.43 3d5m s ASN 316 CO -0.02 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 3d5m n GLY 317 N 3.73 3.90 0.18 0.66 0.00 -1.26 -1.36 105.19 111.03 3d5m n GLY 317 Ca 0.07 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3d5m n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5m n ASP 318 N 7.76 0.55 -4.58 1.61 3.85 -1.26 -3.68 116.55 120.80 3d5m n ASP 318 Ca 0.00 -1.26 -0.40 0.00 -0.71 0.00 0.00 54.79 52.42 3d5m n ASP 318 Cb 0.00 -0.01 -0.10 0.00 -1.35 0.00 0.00 41.12 39.66 3d5m n ASP 318 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3d5m s ASP 319 N -1.89 6.18 -0.06 -1.12 -1.08 -0.46 -4.70 116.67 113.54 3d5m s ASP 319 Ca 0.41 0.02 0.03 0.00 -0.52 0.00 0.00 52.55 52.48 3d5m s ASP 319 Cb 0.20 -2.19 0.01 0.00 -1.46 0.00 0.00 42.92 39.48 3d5m s ASP 319 CO 0.33 -0.22 -0.13 -0.22 0.52 0.00 0.00 175.17 175.45 3d5m s LEU 320 N 1.99 1.73 -0.01 -1.34 2.96 -1.26 -1.02 118.68 121.73 3d5m s LEU 320 Ca 0.12 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3d5m s LEU 320 Cb -0.16 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 3d5m s LEU 320 CO 0.11 0.07 -0.12 0.54 -1.32 0.00 0.00 176.35 175.62 3d5m s VAL 321 N 0.46 0.96 -0.07 1.68 0.11 -0.69 -1.23 120.40 121.62 3d5m s VAL 321 Ca -0.11 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 3d5m s VAL 321 Cb -0.14 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3d5m s VAL 321 CO 0.03 0.27 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.18 3d5m s VAL 322 N -0.25 1.72 -0.13 2.04 1.01 0.38 -1.06 120.40 124.11 3d5m s VAL 322 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3d5m s VAL 322 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3d5m s VAL 322 CO -0.00 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.74 3d5m s ILE 323 N 0.18 1.93 0.23 2.22 1.01 -0.06 -1.14 121.20 125.57 3d5m s ILE 323 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.68 3d5m s ILE 323 Cb -0.15 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3d5m s ILE 323 CO 0.05 0.53 0.21 0.00 0.00 0.00 0.00 174.94 175.72 3d5m s GLU 325 N -2.88 4.59 0.36 0.00 0.41 -0.26 -1.12 118.70 119.81 3d5m s GLU 325 Ca 0.26 1.25 -0.26 0.00 -0.41 0.00 0.00 54.97 55.82 3d5m s GLU 325 Cb 0.01 -3.37 -0.09 0.00 -1.78 0.00 0.00 34.13 28.90 3d5m s GLU 325 CO 0.19 0.24 1.11 0.45 -0.49 0.00 0.00 175.26 176.76 3d5m s SER 326 N 0.00 6.82 -0.23 -0.19 0.15 0.20 -4.46 113.70 116.00 3d5m s SER 326 Ca 0.43 2.24 0.14 0.00 0.70 0.00 0.00 55.95 59.46 3d5m s SER 326 Cb -0.22 -2.61 0.63 0.00 -1.71 0.00 0.00 66.02 62.11 3d5m s SER 326 CO 0.26 -0.46 1.56 0.00 1.20 0.00 0.00 173.24 175.81 3d5m n ALA 327 N 0.38 3.56 0.00 5.45 0.00 -1.26 -4.88 120.51 123.76 3d5m n ALA 327 Ca 0.03 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.17 3d5m n ALA 327 Cb 0.47 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3d5m n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5m n GLY 328 N -0.25 -0.94 0.29 0.00 0.00 -1.26 -4.43 105.19 98.60 3d5m n GLY 328 Ca 0.27 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 3d5m n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3d5m h THR 329 N 0.00 1.25 -0.28 2.61 1.35 -1.98 -0.54 112.91 115.32 3d5m h THR 329 Ca 0.00 -1.06 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 3d5m h THR 329 Cb 0.00 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 3d5m h THR 329 CO 0.00 0.38 -0.03 -0.61 -0.25 0.00 0.00 175.52 175.01 3d5m h GLN 330 N 0.83 0.50 -0.08 4.72 4.15 -2.00 -2.41 115.11 120.83 3d5m h GLN 330 Ca 0.16 -0.17 -0.23 0.00 0.77 0.00 0.00 58.65 59.17 3d5m h GLN 330 Cb 0.49 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.15 3d5m h GLN 330 CO 0.02 0.68 -0.86 1.49 -1.93 0.00 0.00 178.83 178.24 3d5m h GLU 331 N 0.28 0.65 -0.80 1.69 4.22 -1.75 -2.54 114.58 116.33 3d5m h GLU 331 Ca 0.07 -0.59 0.06 0.00 0.08 0.00 0.00 59.36 58.99 3d5m h GLU 331 Cb 0.47 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 3d5m h GLU 331 CO 0.02 1.20 0.48 -0.44 -2.18 0.00 0.00 179.01 178.09 3d5m h ASP 332 N 0.41 0.74 -0.52 1.04 3.32 -1.14 0.27 116.42 120.54 3d5m h ASP 332 Ca -0.07 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3d5m h ASP 332 Cb 1.49 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 3d5m h ASP 332 CO 0.17 0.47 0.05 0.00 -1.72 0.00 0.00 179.24 178.20 3d5m h ALA 333 N 1.39 0.69 -0.15 3.45 0.00 -1.34 -1.51 119.26 121.79 3d5m h ALA 333 Ca 0.36 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3d5m h ALA 333 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d5m h ALA 333 CO -0.18 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 179.37 3d5m h ALA 334 N 0.96 0.22 -0.72 0.00 0.00 -1.17 -2.75 119.26 115.81 3d5m h ALA 334 Ca 0.15 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3d5m h ALA 334 Cb 0.45 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 3d5m h ALA 334 CO 0.02 0.12 -0.47 0.77 0.00 0.00 0.00 179.25 179.68 3d5m h SER 335 N 0.00 -1.65 0.16 0.00 0.02 -0.46 -1.24 113.55 110.38 3d5m h SER 335 Ca 0.02 0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3d5m h SER 335 Cb 0.69 0.76 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 3d5m h SER 335 CO 0.04 -0.31 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.18 3d5m h LEU 336 N -0.16 0.00 -0.30 5.07 3.38 -1.28 0.92 115.31 122.94 3d5m h LEU 336 Ca 0.20 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3d5m h LEU 336 Cb 0.54 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3d5m h LEU 336 CO -0.78 0.17 -0.01 0.03 0.09 0.00 0.00 178.44 177.93 3d5m h ARG 337 N 0.00 0.54 -0.36 1.13 3.08 -1.09 -0.91 114.38 116.79 3d5m h ARG 337 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3d5m h ARG 337 Cb 0.29 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3d5m h ARG 337 CO 0.02 0.70 0.23 0.28 -1.07 0.00 0.00 179.97 180.12 3d5m h VAL 338 N 0.33 1.11 -0.72 2.04 2.07 -0.05 0.04 116.25 121.06 3d5m h VAL 338 Ca 0.08 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.53 3d5m h VAL 338 Cb 0.46 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 3d5m h VAL 338 CO 0.02 0.10 0.21 0.15 0.02 0.00 0.00 177.57 178.07 3d5m h PHE 339 N 0.47 0.33 -0.20 1.57 3.57 -0.79 -0.80 116.94 121.10 3d5m h PHE 339 Ca 0.13 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.46 3d5m h PHE 339 Cb -0.02 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.69 3d5m h PHE 339 CO -0.04 -0.04 -0.71 1.15 -2.23 0.00 0.00 178.31 176.44 3d5m h THR 340 N 0.31 1.28 -0.44 4.41 2.02 -0.68 -0.97 112.91 118.84 3d5m h THR 340 Ca 0.40 -1.90 0.03 0.00 0.77 0.00 0.00 66.41 65.71 3d5m h THR 340 Cb 0.66 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 3d5m h THR 340 CO -0.47 0.61 0.24 -0.33 0.37 0.00 0.00 175.52 175.94 3d5m h GLU 341 N 0.58 0.47 0.47 6.66 5.08 -0.62 0.12 114.58 127.35 3d5m h GLU 341 Ca -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3d5m h GLU 341 Cb 1.33 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3d5m h GLU 341 CO 0.15 0.31 -0.23 0.00 -1.00 0.00 0.00 179.01 178.24 3d5m h ALA 342 N 1.21 -0.64 -0.91 3.43 0.00 -1.00 0.12 119.26 121.47 3d5m h ALA 342 Ca 0.18 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.10 3d5m h ALA 342 Cb 0.05 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3d5m h ALA 342 CO -0.10 -0.85 0.50 0.52 0.00 0.00 0.00 179.25 179.32 3d5m h MET 343 N -0.65 0.68 -0.36 0.00 2.86 -1.14 0.09 114.93 116.40 3d5m h MET 343 Ca -0.07 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3d5m h MET 343 Cb 0.50 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3d5m h MET 343 CO 0.11 0.45 -0.03 1.15 1.06 0.00 0.00 176.91 179.64 3d5m h THR 344 N 0.70 1.27 0.00 2.22 2.02 -0.63 0.33 112.91 118.81 3d5m h THR 344 Ca 0.50 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 3d5m h THR 344 Cb 0.71 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3d5m h THR 344 CO -0.36 0.35 -0.01 0.03 0.37 0.00 0.00 175.52 175.90 3d5m h ARG 345 N 0.47 0.00 -0.06 6.66 3.08 0.71 -1.23 114.38 124.00 3d5m h ARG 345 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3d5m h ARG 345 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3d5m h ARG 345 CO 0.02 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 3d5m n TYR 346 N -4.49 0.08 -2.89 3.04 4.01 -0.13 -0.63 117.16 116.15 3d5m n TYR 346 Ca -0.03 -0.04 -0.10 0.00 -0.16 0.00 0.00 57.90 57.57 3d5m n TYR 346 Cb 0.09 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.17 3d5m n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d5m n SER 347 N -0.27 -2.94 -3.19 7.72 2.88 -0.46 -4.90 113.62 112.46 3d5m n SER 347 Ca 0.17 -0.31 -0.20 0.00 -1.33 0.00 0.00 58.87 57.20 3d5m n SER 347 Cb 0.21 -2.93 -0.04 0.00 -0.75 0.00 0.00 64.21 60.70 3d5m n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d5m n ALA 348 N -3.13 2.16 -1.08 -1.46 0.00 0.11 -4.59 120.51 112.52 3d5m n ALA 348 Ca -0.09 -3.43 -0.32 0.00 0.00 0.00 0.00 53.44 49.60 3d5m n ALA 348 Cb 0.57 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 19.24 3d5m n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d5m s PRO 349 N -2.13 1.76 0.52 0.00 0.04 -1.26 -4.05 135.00 129.88 3d5m s PRO 349 Ca 0.39 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 3d5m s PRO 349 Cb 0.30 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.99 3d5m s PRO 349 CO -0.09 -2.07 0.87 -1.25 0.04 0.00 0.00 177.00 174.50 3d5m s PRO 350 N -4.46 3.60 0.00 0.56 0.04 -1.26 -1.56 135.00 131.91 3d5m s PRO 350 Ca 0.68 0.42 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3d5m s PRO 350 Cb -0.23 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3d5m s PRO 350 CO 0.53 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.67 3d5m n GLY 351 N -2.30 1.63 3.76 0.56 0.00 0.20 -4.15 105.19 104.89 3d5m n GLY 351 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3d5m n GLY 351 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d5m s ASP 352 N -1.00 6.95 0.54 1.61 1.47 -1.26 -4.94 116.67 120.03 3d5m s ASP 352 Ca 0.00 1.13 -0.21 0.00 1.18 0.00 0.00 52.55 54.65 3d5m s ASP 352 Cb 0.00 -2.36 -0.07 0.00 -0.34 0.00 0.00 42.92 40.16 3d5m s ASP 352 CO 0.00 0.09 1.06 -0.81 0.68 0.00 0.00 175.17 176.19 3d5m n PRO 353 N 2.80 1.21 -1.75 2.11 -0.04 -1.26 -4.56 135.00 133.50 3d5m n PRO 353 Ca -0.07 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.51 3d5m n PRO 353 Cb 0.51 -2.22 0.05 0.00 -0.04 0.00 0.00 33.50 31.80 3d5m n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3d5m s PRO 354 N -2.56 2.81 -0.03 0.54 0.04 -1.26 -5.00 135.00 129.55 3d5m s PRO 354 Ca 0.71 1.37 0.03 0.00 0.04 0.00 0.00 61.00 63.14 3d5m s PRO 354 Cb -0.46 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3d5m s PRO 354 CO 0.51 -1.24 -0.10 -0.65 0.04 0.00 0.00 177.00 175.56 3d5m s GLN 355 N -4.13 1.02 0.33 4.56 -1.52 -1.26 -5.02 119.66 113.63 3d5m s GLN 355 Ca 0.66 -0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 53.46 3d5m s GLN 355 Cb -0.20 -0.94 -0.10 0.00 -0.22 0.00 0.00 33.01 31.54 3d5m s GLN 355 CO 0.42 0.13 1.33 -2.14 -0.25 0.00 0.00 175.29 174.77 3d5m s PRO 356 N 0.16 4.33 -0.02 2.91 0.02 -1.26 -4.59 135.00 136.55 3d5m s PRO 356 Ca -0.03 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.30 3d5m s PRO 356 Cb -0.09 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 3d5m s PRO 356 CO 0.01 -0.23 -0.19 -1.21 -0.33 0.00 0.00 177.00 175.05 3d5m s GLU 357 N -1.76 1.56 0.00 5.54 0.41 0.11 -4.97 118.70 119.59 3d5m s GLU 357 Ca 0.50 -0.68 0.09 0.00 -0.41 0.00 0.00 54.97 54.47 3d5m s GLU 357 Cb -0.40 -1.50 -0.02 0.00 -1.78 0.00 0.00 34.13 30.43 3d5m s GLU 357 CO 0.53 0.40 0.55 0.66 -0.49 0.00 0.00 175.26 176.91 3d5m n TYR 358 N 2.64 0.00 -4.05 1.61 4.01 -1.26 -1.11 117.16 119.00 3d5m n TYR 358 Ca -0.15 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.26 3d5m n TYR 358 Cb 0.53 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.41 3d5m n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3d5m s ASP 359 N -1.37 4.14 0.42 7.72 -1.08 -1.26 -4.97 116.67 120.27 3d5m s ASP 359 Ca 0.07 -1.10 0.18 0.00 -0.52 0.00 0.00 52.55 51.18 3d5m s ASP 359 Cb 0.07 -1.57 1.10 0.00 -1.46 0.00 0.00 42.92 41.07 3d5m s ASP 359 CO 0.25 -0.14 1.83 0.25 0.52 0.00 0.00 175.17 177.88 3d5m h LEU 360 N 7.88 0.41 -1.46 -1.34 5.85 -1.97 -0.53 115.31 124.15 3d5m h LEU 360 Ca -0.28 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3d5m h LEU 360 Cb 1.08 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3d5m h LEU 360 CO 0.53 0.14 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.40 3d5m h GLU 361 N 0.39 0.00 -0.04 1.25 5.08 -1.96 -2.26 114.58 117.04 3d5m h GLU 361 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 3d5m h GLU 361 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3d5m h GLU 361 CO -0.21 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.12 3d5m n LEU 362 N -3.16 1.23 -4.63 1.33 4.77 -0.21 -4.51 117.00 111.83 3d5m n LEU 362 Ca 0.00 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.16 3d5m n LEU 362 Cb 0.32 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3d5m n LEU 362 CO 0.28 0.22 0.12 -0.63 -1.33 0.00 0.00 177.39 176.05 3d5m s ILE 363 N -1.96 5.16 -0.23 -0.08 1.01 -0.85 -5.06 121.20 119.19 3d5m s ILE 363 Ca 0.38 0.68 -0.13 0.00 0.00 0.00 0.00 60.65 61.59 3d5m s ILE 363 Cb 0.20 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3d5m s ILE 363 CO 0.32 0.17 0.26 -0.89 0.00 0.00 0.00 174.94 174.81 3d5m s THR 364 N 1.85 5.29 -0.01 2.92 2.01 -1.26 -4.23 115.64 122.21 3d5m s THR 364 Ca 0.18 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 3d5m s THR 364 Cb -0.15 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3d5m s THR 364 CO 0.09 0.29 0.11 -0.94 -0.69 0.00 0.00 174.62 173.48 3d5m s SER 365 N 1.17 0.01 -1.45 3.53 1.04 0.83 -4.69 113.70 114.12 3d5m s SER 365 Ca 0.12 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 3d5m s SER 365 Cb -0.14 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3d5m s SER 365 CO 0.07 -0.26 0.21 0.00 0.98 0.00 0.00 173.24 174.24 3d5m n SER 367 N -2.74 -2.78 -4.14 0.00 7.64 -1.26 -4.91 113.62 105.44 3d5m n SER 367 Ca -0.28 0.25 -0.17 0.00 1.01 0.00 0.00 58.87 59.68 3d5m n SER 367 Cb 0.67 -2.61 -0.12 0.00 -1.01 0.00 0.00 64.21 61.14 3d5m n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3d5m s SER 368 N -1.88 1.44 0.07 6.43 0.01 -0.08 -4.68 113.70 115.00 3d5m s SER 368 Ca 0.00 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 56.76 3d5m s SER 368 Cb 0.00 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 3d5m s SER 368 CO 0.00 -0.10 -0.20 0.54 0.41 0.00 0.00 173.24 173.89 3d5m s ASN 369 N -1.61 2.46 0.39 2.44 4.22 0.60 -0.12 114.94 123.32 3d5m s ASN 369 Ca -0.04 -0.59 -0.26 0.00 -2.14 0.00 0.00 52.86 49.84 3d5m s ASN 369 Cb -0.10 -0.17 -0.09 0.00 1.28 0.00 0.00 41.25 42.17 3d5m s ASN 369 CO 0.02 0.11 1.24 -0.69 -2.04 0.00 0.00 177.10 175.74 3d5m s VAL 370 N -0.95 2.86 0.24 3.54 1.01 -1.26 -0.91 120.40 124.92 3d5m s VAL 370 Ca 0.07 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 3d5m s VAL 370 Cb -0.09 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3d5m s VAL 370 CO 0.03 0.11 0.39 -0.55 0.00 0.00 0.00 175.10 175.07 3d5m s SER 371 N -0.87 0.01 0.03 3.32 0.15 0.27 -4.36 113.70 112.25 3d5m s SER 371 Ca 0.56 -1.07 0.08 0.00 0.70 0.00 0.00 55.95 56.21 3d5m s SER 371 Cb -0.35 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 3d5m s SER 371 CO 0.45 -1.07 -0.22 0.54 1.20 0.00 0.00 173.24 174.14 3d5m s VAL 372 N -4.02 1.77 0.28 4.45 0.11 -1.26 -1.18 120.40 120.55 3d5m s VAL 372 Ca 0.27 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 3d5m s VAL 372 Cb 0.01 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 3d5m s VAL 372 CO 0.10 0.30 0.31 0.00 -3.33 0.00 0.00 175.10 172.49 3d5m n ALA 373 N 2.00 0.15 -2.42 1.54 0.00 -0.07 -3.93 120.51 117.78 3d5m n ALA 373 Ca -0.17 -1.44 -0.28 0.00 0.00 0.00 0.00 53.44 51.55 3d5m n ALA 373 Cb 0.53 1.17 -0.14 0.00 0.00 0.00 0.00 19.45 21.01 3d5m n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3d5m s HIS 374 N -3.20 2.11 0.00 0.00 3.76 0.39 -0.99 115.29 117.36 3d5m s HIS 374 Ca 0.28 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 3d5m s HIS 374 Cb 0.00 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.47 3d5m s HIS 374 CO 0.20 0.18 0.00 -0.40 -0.85 0.00 0.00 174.74 173.86 3d5m n ASP 375 N 1.51 0.02 0.04 1.40 3.85 -1.25 0.06 116.55 122.18 3d5m n ASP 375 Ca -0.18 -0.21 -0.11 0.00 -0.71 0.00 0.00 54.79 53.58 3d5m n ASP 375 Cb 0.53 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.25 3d5m n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3d5m h ALA 376 N -0.67 -0.39 -0.48 2.12 0.00 -1.90 -2.79 119.26 115.16 3d5m h ALA 376 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3d5m h ALA 376 Cb 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3d5m h ALA 376 CO 0.00 -0.79 0.13 -1.13 0.00 0.00 0.00 179.25 177.46 3d5m n SER 377 N -5.40 4.05 0.00 0.00 3.41 -1.26 -4.89 113.62 109.53 3d5m n SER 377 Ca -0.04 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 3d5m n SER 377 Cb 0.31 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3d5m n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5m n GLY 378 N 0.12 1.18 3.58 5.00 0.00 -1.05 -4.97 105.19 109.05 3d5m n GLY 378 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3d5m n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5m s LYS 379 N -0.17 3.33 0.09 1.61 2.20 -1.26 -4.65 119.74 120.90 3d5m s LYS 379 Ca 0.00 0.66 -0.33 0.00 -0.36 0.00 0.00 55.97 55.94 3d5m s LYS 379 Cb 0.00 -4.12 -0.18 0.00 -1.51 0.00 0.00 37.83 32.02 3d5m s LYS 379 CO 0.00 -1.88 0.77 0.54 -0.36 0.00 0.00 175.35 174.42 3d5m n ARG 380 N 8.52 0.00 -3.99 4.03 1.74 -1.26 -3.85 116.66 121.84 3d5m n ARG 380 Ca 0.15 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.06 3d5m n ARG 380 Cb 0.49 -1.21 -0.16 0.00 -1.02 0.00 0.00 32.46 30.56 3d5m n ARG 380 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d5m s VAL 381 N -0.47 0.25 0.20 1.55 0.11 -0.16 -4.95 120.40 116.93 3d5m s VAL 381 Ca 0.75 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.68 3d5m s VAL 381 Cb -1.06 -0.31 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 3d5m s VAL 381 CO 0.54 0.15 0.59 -0.31 -3.33 0.00 0.00 175.10 172.74 3d5m s TYR 382 N 0.85 3.53 0.20 1.54 2.02 -1.26 -0.89 117.35 123.32 3d5m s TYR 382 Ca -0.09 1.06 -0.15 0.00 -0.37 0.00 0.00 57.07 57.52 3d5m s TYR 382 Cb -0.12 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.07 3d5m s TYR 382 CO -0.01 0.33 0.46 1.52 -1.57 0.00 0.00 175.55 176.28 3d5m s TYR 383 N -1.64 0.06 -0.12 2.71 1.13 -0.33 -4.98 117.35 114.19 3d5m s TYR 383 Ca 0.43 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.60 3d5m s TYR 383 Cb -0.13 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 3d5m s TYR 383 CO 0.20 -0.89 0.16 -0.51 -2.51 0.00 0.00 175.55 172.00 3d5m s LEU 384 N -2.92 4.38 0.32 -3.49 1.43 -1.26 -0.56 118.68 116.58 3d5m s LEU 384 Ca 0.13 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3d5m s LEU 384 Cb -0.00 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3d5m s LEU 384 CO -0.00 0.39 0.35 0.28 0.23 0.00 0.00 176.35 177.59 3d5m s THR 385 N -0.93 0.00 0.25 5.49 -1.32 -0.09 -4.78 115.64 114.26 3d5m s THR 385 Ca 0.15 -1.81 -0.18 0.00 -1.21 0.00 0.00 61.69 58.64 3d5m s THR 385 Cb -0.12 -2.55 0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3d5m s THR 385 CO 0.04 0.00 0.60 0.00 -2.21 0.00 0.00 174.62 173.06 3d5m s ARG 386 N -3.37 1.61 0.08 7.08 1.70 -1.26 -0.30 118.95 124.49 3d5m s ARG 386 Ca 0.36 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.31 3d5m s ARG 386 Cb 0.02 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 3d5m s ARG 386 CO 0.22 -0.71 1.89 0.34 -1.08 0.00 0.00 175.30 175.97 3d5m s ASP 387 N -2.93 6.44 0.00 -2.89 -1.08 -1.26 -4.87 116.67 110.08 3d5m s ASP 387 Ca 0.13 2.70 0.11 0.00 -0.52 0.00 0.00 52.55 54.97 3d5m s ASP 387 Cb -0.03 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.39 3d5m s ASP 387 CO 0.04 -1.02 1.35 -0.81 0.52 0.00 0.00 175.17 175.24 3d5m n PRO 388 N 6.59 1.23 0.18 4.34 -0.04 -1.26 -4.32 135.00 141.72 3d5m n PRO 388 Ca 0.19 -0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 3d5m n PRO 388 Cb 0.40 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 3d5m n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3d5m h THR 389 N 0.64 0.43 -0.14 0.52 2.02 -1.95 -1.55 112.91 112.88 3d5m h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3d5m h THR 389 Cb 0.14 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3d5m h THR 389 CO 0.00 0.00 -0.06 0.74 0.37 0.00 0.00 175.52 176.57 3d5m h THR 390 N -0.57 1.31 -1.00 3.16 2.02 -1.96 0.57 112.91 116.43 3d5m h THR 390 Ca -0.01 -1.07 0.24 0.00 0.77 0.00 0.00 66.41 66.33 3d5m h THR 390 Cb 0.53 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.57 3d5m h THR 390 CO -0.05 0.31 0.64 -0.65 0.37 0.00 0.00 175.52 176.14 3d5m h PRO 391 N -0.04 0.45 0.18 6.66 0.11 -1.82 -1.07 132.00 136.46 3d5m h PRO 391 Ca 0.03 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.79 3d5m h PRO 391 Cb 0.52 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.54 3d5m h PRO 391 CO 0.02 0.30 -1.54 -0.07 -0.21 0.00 0.00 178.00 176.49 3d5m h LEU 392 N 0.46 0.58 -1.30 2.35 3.38 -0.99 -1.56 115.31 118.23 3d5m h LEU 392 Ca 0.56 -0.74 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3d5m h LEU 392 Cb 1.33 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3d5m h LEU 392 CO -0.29 1.60 0.50 0.00 0.09 0.00 0.00 178.44 180.35 3d5m h ALA 393 N 0.31 1.60 0.13 1.53 0.00 -0.65 -1.04 119.26 121.16 3d5m h ALA 393 Ca -0.26 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 3d5m h ALA 393 Cb 2.08 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 19.65 3d5m h ALA 393 CO 0.20 0.30 -1.25 0.00 0.00 0.00 0.00 179.25 178.50 3d5m h ARG 394 N 0.87 0.53 -0.77 0.00 3.08 -1.20 -2.82 114.38 114.06 3d5m h ARG 394 Ca 0.32 -0.74 0.06 0.00 0.07 0.00 0.00 59.98 59.68 3d5m h ARG 394 Cb 0.15 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 3d5m h ARG 394 CO -0.10 1.33 0.51 0.00 -1.07 0.00 0.00 179.97 180.64 3d5m h ALA 395 N 0.37 1.63 -0.30 0.04 0.00 -1.13 -0.45 119.26 119.41 3d5m h ALA 395 Ca -0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3d5m h ALA 395 Cb 1.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3d5m h ALA 395 CO 0.23 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.71 3d5m h ALA 396 N 1.57 0.41 -0.38 0.00 0.00 -1.16 -1.42 119.26 118.28 3d5m h ALA 396 Ca 0.33 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d5m h ALA 396 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3d5m h ALA 396 CO -0.11 0.19 0.24 2.35 0.00 0.00 0.00 179.25 181.92 3d5m h TRP 397 N 0.34 0.46 0.00 0.00 2.91 -1.21 -2.93 115.95 115.51 3d5m h TRP 397 Ca 0.08 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.11 3d5m h TRP 397 Cb 0.48 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 3d5m h TRP 397 CO 0.04 0.28 0.00 0.93 -1.03 0.00 0.00 178.44 178.66 3d5m h GLU 398 N 0.50 0.00 -0.12 2.65 5.08 -1.02 0.32 114.58 121.98 3d5m h GLU 398 Ca 0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 3d5m h GLU 398 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3d5m h GLU 398 CO -0.05 0.00 -0.41 1.15 -1.00 0.00 0.00 179.01 178.70 3d5m h THR 399 N 0.00 1.31 0.00 1.13 2.02 -1.06 -3.33 112.91 112.97 3d5m h THR 399 Ca 0.00 -1.53 -0.27 0.00 0.77 0.00 0.00 66.41 65.38 3d5m h THR 399 Cb 0.55 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 3d5m h THR 399 CO 0.00 0.46 -2.24 0.00 0.37 0.00 0.00 175.52 174.11 3d5m n ALA 400 N -2.48 1.83 -2.40 6.16 0.00 -0.81 -4.92 120.51 117.89 3d5m n ALA 400 Ca -0.01 -1.09 -0.30 0.00 0.00 0.00 0.00 53.44 52.03 3d5m n ALA 400 Cb 0.48 -0.30 -0.16 0.00 0.00 0.00 0.00 19.45 19.47 3d5m n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d5m s ARG 401 N -2.71 2.11 -0.23 0.00 1.81 0.04 -4.93 118.95 115.02 3d5m s ARG 401 Ca -0.09 -0.89 -0.29 0.00 -1.72 0.00 0.00 55.73 52.74 3d5m s ARG 401 Cb 0.08 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.58 3d5m s ARG 401 CO 0.82 0.51 1.35 -1.01 -0.68 0.00 0.00 175.30 176.29 3d5m s HIS 402 N -0.51 2.61 0.12 -0.53 3.76 -1.26 -4.31 115.29 115.17 3d5m s HIS 402 Ca 0.07 0.83 0.03 0.00 -0.15 0.00 0.00 55.06 55.85 3d5m s HIS 402 Cb -0.10 -3.79 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 3d5m s HIS 402 CO -0.00 -2.00 0.17 0.95 -0.85 0.00 0.00 174.74 173.01 3d5m s THR 403 N 4.21 4.87 0.12 1.30 -4.23 -1.26 -5.03 115.64 115.62 3d5m s THR 403 Ca 0.59 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 60.15 3d5m s THR 403 Cb -0.20 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 3d5m s THR 403 CO 0.22 -0.01 1.63 -0.65 -0.54 0.00 0.00 174.62 175.26 3d5m h PRO 404 N 2.65 0.61 -5.20 3.99 0.11 -1.96 -3.40 132.00 128.81 3d5m h PRO 404 Ca -0.47 -0.14 -0.64 0.00 0.11 0.00 0.00 66.00 64.85 3d5m h PRO 404 Cb 1.18 -0.08 -0.23 0.00 0.11 0.00 0.00 31.00 31.98 3d5m h PRO 404 CO 0.67 0.64 -0.68 0.08 -0.21 0.00 0.00 178.00 178.50 3d5m s VAL 405 N -5.31 3.76 -0.64 3.15 1.01 -1.26 -4.63 120.40 116.47 3d5m s VAL 405 Ca -0.13 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3d5m s VAL 405 Cb 0.10 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.87 3d5m s VAL 405 CO 0.76 0.46 0.97 0.20 0.00 0.00 0.00 175.10 177.50 3d5m s ASN 406 N 0.74 6.20 0.33 3.32 0.01 -0.72 -4.90 114.94 119.92 3d5m s ASN 406 Ca -0.02 -0.86 0.04 0.00 -0.71 0.00 0.00 52.86 51.32 3d5m s ASN 406 Cb -0.14 -2.43 0.60 0.00 0.41 0.00 0.00 41.25 39.69 3d5m s ASN 406 CO 0.02 -1.42 1.86 0.77 -1.51 0.00 0.00 177.10 176.83 3d5m h SER 407 N 9.54 0.48 -0.94 -1.22 4.64 -1.93 -2.72 113.55 121.40 3d5m h SER 407 Ca -0.28 -0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.03 3d5m h SER 407 Cb 1.07 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.97 3d5m h SER 407 CO 1.17 0.57 0.61 4.11 -0.87 0.00 0.00 176.83 182.41 3d5m h TRP 408 N 0.49 1.06 -0.20 4.77 5.08 -1.90 -0.18 115.95 125.06 3d5m h TRP 408 Ca 0.10 0.03 -0.09 0.00 1.08 0.00 0.00 58.89 60.01 3d5m h TRP 408 Cb 0.36 -0.34 -0.00 0.00 -3.00 0.00 0.00 29.16 26.17 3d5m h TRP 408 CO 0.01 0.50 -0.23 1.25 -1.28 0.00 0.00 178.44 178.69 3d5m h LEU 409 N 0.99 0.56 -1.46 0.11 5.85 -1.87 -0.75 115.31 118.74 3d5m h LEU 409 Ca 0.43 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3d5m h LEU 409 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3d5m h LEU 409 CO -0.19 0.94 -0.02 1.23 -0.34 0.00 0.00 178.44 180.06 3d5m h GLY 410 N 0.19 0.35 1.13 3.75 0.00 -1.34 -1.33 103.07 105.83 3d5m h GLY 410 Ca 0.03 -0.19 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 3d5m h GLY 410 CO 0.06 0.17 -0.62 3.43 0.00 0.00 0.00 176.54 179.58 3d5m h ASN 411 N 0.32 0.94 -0.80 0.19 2.35 -0.82 -1.40 115.58 116.36 3d5m h ASN 411 Ca 0.07 -0.57 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 3d5m h ASN 411 Cb 0.25 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3d5m h ASN 411 CO 0.01 1.35 0.38 0.40 -1.65 0.00 0.00 177.43 177.92 3d5m h ILE 412 N 0.58 1.25 -0.11 2.81 2.04 -0.92 0.30 117.51 123.46 3d5m h ILE 412 Ca -0.01 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3d5m h ILE 412 Cb 1.24 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3d5m h ILE 412 CO 0.13 0.30 -0.08 0.40 0.00 0.00 0.00 178.15 178.91 3d5m h ILE 413 N 1.16 1.34 0.00 -0.67 2.04 -1.14 -1.92 117.51 118.30 3d5m h ILE 413 Ca 0.28 -1.17 -0.17 0.00 1.00 0.00 0.00 64.86 64.80 3d5m h ILE 413 Cb 0.12 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3d5m h ILE 413 CO -0.03 0.33 -1.05 0.24 0.00 0.00 0.00 178.15 177.64 3d5m h MET 414 N -0.12 0.00 -0.22 2.37 2.86 -1.22 -3.34 114.93 115.25 3d5m h MET 414 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3d5m h MET 414 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3d5m h MET 414 CO 0.02 0.54 -0.01 0.66 1.06 0.00 0.00 176.91 179.18 3d5m n TYR 415 N -3.12 0.79 -0.34 -0.22 4.01 0.11 -4.81 117.16 113.58 3d5m n TYR 415 Ca -0.04 -0.98 0.19 0.00 -0.16 0.00 0.00 57.90 56.90 3d5m n TYR 415 Cb 0.85 -0.31 0.40 0.00 -0.31 0.00 0.00 39.34 39.98 3d5m n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d5m h ALA 416 N 1.39 1.79 0.00 -0.72 0.00 -1.47 0.08 119.26 120.34 3d5m h ALA 416 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d5m h ALA 416 Cb 1.39 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3d5m h ALA 416 CO 0.20 -0.37 0.00 -2.30 0.00 0.00 0.00 179.25 176.78 3d5m n PRO 417 N -4.96 0.12 -2.18 0.00 -0.02 -1.26 -4.41 135.00 122.28 3d5m n PRO 417 Ca 0.28 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3d5m n PRO 417 Cb 0.81 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 3d5m n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3d5m s THR 418 N -2.81 4.62 0.19 3.45 -4.23 0.02 -4.93 115.64 111.95 3d5m s THR 418 Ca 0.13 1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 61.69 3d5m s THR 418 Cb 0.12 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 70.09 3d5m s THR 418 CO 0.31 -0.89 1.47 0.17 -0.54 0.00 0.00 174.62 175.15 3d5m h LEU 419 N 0.39 0.44 -0.40 4.79 8.10 -1.89 -2.60 115.31 124.13 3d5m h LEU 419 Ca -0.46 -0.27 -0.17 0.00 0.11 0.00 0.00 57.88 57.09 3d5m h LEU 419 Cb 1.19 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 41.28 3d5m h LEU 419 CO 0.62 0.99 -0.48 4.11 -4.11 0.00 0.00 178.44 179.57 3d5m h TRP 420 N 0.26 1.01 -0.39 0.17 5.08 -1.93 -1.71 115.95 118.44 3d5m h TRP 420 Ca -0.02 -0.33 -0.14 0.00 1.08 0.00 0.00 58.89 59.48 3d5m h TRP 420 Cb 1.23 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 3d5m h TRP 420 CO 0.04 1.13 -0.32 0.00 -1.28 0.00 0.00 178.44 178.01 3d5m h ALA 421 N 0.81 0.68 -0.06 0.11 0.00 -1.80 -2.01 119.26 116.98 3d5m h ALA 421 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3d5m h ALA 421 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3d5m h ALA 421 CO 0.11 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.90 3d5m h ARG 422 N 0.74 0.18 0.20 0.00 3.08 -1.47 -0.02 114.38 117.09 3d5m h ARG 422 Ca 0.08 -0.12 -0.33 0.00 0.07 0.00 0.00 59.98 59.68 3d5m h ARG 422 Cb 0.89 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.98 3d5m h ARG 422 CO 0.08 0.71 -1.51 0.52 -1.07 0.00 0.00 179.97 178.71 3d5m h MET 423 N -0.32 0.43 0.00 0.04 2.86 -1.40 -3.35 114.93 113.20 3d5m h MET 423 Ca 0.00 -0.74 -0.00 0.00 -2.06 0.00 0.00 59.70 56.90 3d5m h MET 423 Cb 0.71 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 3d5m h MET 423 CO 0.03 1.34 -0.99 -0.89 1.06 0.00 0.00 176.91 177.46 3d5m n ILE 424 N -3.63 1.50 -0.05 -1.22 5.41 -0.77 -4.26 119.36 116.34 3d5m n ILE 424 Ca -0.17 0.14 -0.11 0.00 1.00 0.00 0.00 62.75 63.61 3d5m n ILE 424 Cb 1.08 -2.34 -0.05 0.00 -0.71 0.00 0.00 39.64 37.62 3d5m n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3d5m h LEU 425 N -0.99 0.26 -0.33 1.39 3.38 -1.40 -1.31 115.31 116.32 3d5m h LEU 425 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3d5m h LEU 425 Cb 0.99 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3d5m h LEU 425 CO -0.00 0.37 0.21 0.24 0.09 0.00 0.00 178.44 179.35 3d5m h MET 426 N 0.14 0.45 -0.30 1.13 2.86 -1.12 -2.37 114.93 115.72 3d5m h MET 426 Ca 0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3d5m h MET 426 Cb 0.20 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3d5m h MET 426 CO -0.00 0.32 0.05 1.15 1.06 0.00 0.00 176.91 179.49 3d5m h THR 427 N 0.44 1.23 0.19 2.22 2.02 -1.67 -1.94 112.91 115.40 3d5m h THR 427 Ca 0.12 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3d5m h THR 427 Cb -0.02 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3d5m h THR 427 CO -0.02 0.26 -0.09 -0.74 0.37 0.00 0.00 175.52 175.29 3d5m h HIS 428 N 0.31 -0.24 0.00 3.16 6.17 -1.19 -2.67 115.15 120.70 3d5m h HIS 428 Ca 0.09 -0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.98 3d5m h HIS 428 Cb 0.33 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.32 3d5m h HIS 428 CO 0.02 0.02 -0.87 0.74 0.71 0.00 0.00 177.93 178.55 3d5m h PHE 429 N -0.48 0.08 -0.02 5.26 0.04 -1.47 -2.32 116.94 118.01 3d5m h PHE 429 Ca -0.03 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 3d5m h PHE 429 Cb 0.37 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3d5m h PHE 429 CO 0.00 0.89 -0.46 0.74 -0.60 0.00 0.00 178.31 178.87 3d5m h PHE 430 N 0.02 0.05 -0.63 -0.55 0.04 -1.43 -0.98 116.94 113.47 3d5m h PHE 430 Ca -0.02 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3d5m h PHE 430 Cb 1.52 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.63 3d5m h PHE 430 CO 0.01 0.50 0.20 1.03 -0.60 0.00 0.00 178.31 179.45 3d5m h SER 431 N 0.04 0.91 -0.26 2.17 0.87 -1.23 -1.27 113.55 114.77 3d5m h SER 431 Ca -0.00 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 3d5m h SER 431 Cb 0.84 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3d5m h SER 431 CO 0.06 0.87 -0.07 0.40 -0.53 0.00 0.00 176.83 177.56 3d5m h ILE 432 N 0.89 1.28 -0.82 2.23 2.04 -1.19 -1.48 117.51 120.46 3d5m h ILE 432 Ca 0.20 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3d5m h ILE 432 Cb 0.28 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3d5m h ILE 432 CO -0.01 0.34 0.48 -0.07 0.00 0.00 0.00 178.15 178.89 3d5m h LEU 433 N 0.26 1.00 0.07 1.44 3.38 -1.14 -2.24 115.31 118.08 3d5m h LEU 433 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d5m h LEU 433 Cb 0.54 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3d5m h LEU 433 CO 0.03 0.79 -0.03 -0.07 0.09 0.00 0.00 178.44 179.25 3d5m h LEU 434 N 1.13 -0.07 -1.81 1.67 3.38 -1.18 0.99 115.31 119.42 3d5m h LEU 434 Ca 0.29 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3d5m h LEU 434 Cb -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3d5m h LEU 434 CO -0.05 -0.01 0.27 0.00 0.09 0.00 0.00 178.44 178.74 3d5m h ALA 435 N 0.81 2.08 -0.02 1.53 0.00 -1.04 -1.84 119.26 120.78 3d5m h ALA 435 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d5m h ALA 435 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3d5m h ALA 435 CO 0.01 -0.16 -0.30 1.04 0.00 0.00 0.00 179.25 179.85 3d5m n GLN 436 N -4.47 1.51 -3.93 0.00 1.13 -0.86 -4.97 117.38 105.78 3d5m n GLN 436 Ca 0.05 -1.20 -0.26 0.00 -1.94 0.00 0.00 57.00 53.65 3d5m n GLN 436 Cb 0.30 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.16 3d5m n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3d5m n GLU 437 N 0.30 -3.15 -0.74 -1.09 1.02 -0.08 -4.91 120.64 112.00 3d5m n GLU 437 Ca 0.11 0.41 0.04 0.00 -0.02 0.00 0.00 57.16 57.70 3d5m n GLU 437 Cb 0.49 -4.49 0.19 0.00 -0.02 0.00 0.00 31.44 27.61 3d5m n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3d5m n GLN 438 N -4.39 1.66 0.03 3.49 6.02 0.15 -4.74 117.38 119.60 3d5m n GLN 438 Ca -0.30 -3.31 0.01 0.00 -0.01 0.00 0.00 57.00 53.39 3d5m n GLN 438 Cb 0.68 -1.60 0.33 0.00 1.02 0.00 0.00 30.24 30.68 3d5m n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3d5m h LEU 439 N 1.08 0.42 -0.05 1.08 3.38 -1.91 -2.57 115.31 116.74 3d5m h LEU 439 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3d5m h LEU 439 Cb 1.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3d5m h LEU 439 CO 0.05 0.49 -0.08 1.21 0.09 0.00 0.00 178.44 180.21 3d5m n GLU 440 N -4.30 0.27 -2.76 1.13 4.07 -1.26 -3.96 120.64 113.83 3d5m n GLU 440 Ca 0.01 -0.05 -0.43 0.00 -0.06 0.00 0.00 57.16 56.64 3d5m n GLU 440 Cb 0.23 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.08 3d5m n GLU 440 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 3d5m s LYS 441 N -2.76 4.03 0.19 5.31 2.20 -0.97 -4.91 119.74 122.82 3d5m s LYS 441 Ca 0.21 0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 56.40 3d5m s LYS 441 Cb 0.19 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 3d5m s LYS 441 CO 0.52 -0.80 1.45 0.00 -0.36 0.00 0.00 175.35 176.16 3d5m s ALA 442 N 3.35 3.65 0.05 3.13 0.00 -1.26 -4.46 121.76 126.22 3d5m s ALA 442 Ca 0.40 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.71 3d5m s ALA 442 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3d5m s ALA 442 CO 0.14 -0.70 -0.24 -0.51 0.00 0.00 0.00 175.76 174.45 3d5m s LEU 443 N 0.46 2.17 -0.02 0.00 1.43 0.14 -4.82 118.68 118.05 3d5m s LEU 443 Ca 0.63 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.99 3d5m s LEU 443 Cb -0.41 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3d5m s LEU 443 CO 0.36 0.21 0.50 -1.81 0.23 0.00 0.00 176.35 175.84 3d5m s ASP 444 N -1.24 6.87 0.08 2.29 -0.00 -1.26 0.22 116.67 123.63 3d5m s ASP 444 Ca 0.10 1.03 -0.06 0.00 -0.00 0.00 0.00 52.55 53.62 3d5m s ASP 444 Cb -0.09 -2.31 -0.02 0.00 -0.00 0.00 0.00 42.92 40.50 3d5m s ASP 444 CO 0.02 0.17 0.11 0.00 -0.00 0.00 0.00 175.17 175.48 3d5m s GLN 446 N -3.89 3.71 -0.13 0.00 -0.21 -1.26 0.23 119.66 118.11 3d5m s GLN 446 Ca 0.06 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.99 3d5m s GLN 446 Cb 0.06 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 30.81 3d5m s GLN 446 CO -0.10 -0.09 -0.13 0.42 -2.12 0.00 0.00 175.29 173.27 3d5m s ILE 447 N 1.35 1.42 -1.46 1.08 1.01 0.40 -4.68 121.20 120.32 3d5m s ILE 447 Ca 0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3d5m s ILE 447 Cb -0.15 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 41.02 3d5m s ILE 447 CO 0.03 0.43 0.74 -1.22 0.00 0.00 0.00 174.94 174.92 3d5m n TYR 448 N 4.69 -2.13 0.00 3.97 4.01 -1.26 -2.44 117.16 124.01 3d5m n TYR 448 Ca -0.16 0.65 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 3d5m n TYR 448 Cb 0.50 -4.08 0.00 0.00 -0.31 0.00 0.00 39.34 35.45 3d5m n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5m n GLY 449 N -1.54 3.04 3.82 2.72 0.00 -1.26 -0.33 105.19 111.64 3d5m n GLY 449 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3d5m n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m s ALA 450 N -1.49 3.40 -0.05 4.61 0.00 -1.02 -4.43 121.76 122.78 3d5m s ALA 450 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.92 3d5m s ALA 450 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 3d5m s ALA 450 CO 0.00 0.33 0.51 0.00 0.00 0.00 0.00 175.76 176.59 3d5m s TYR 452 N -0.07 1.63 -0.25 0.00 2.02 0.14 -1.05 117.35 119.77 3d5m s TYR 452 Ca 0.27 -0.56 -0.22 0.00 -0.37 0.00 0.00 57.07 56.19 3d5m s TYR 452 Cb -0.17 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.24 3d5m s TYR 452 CO 0.14 -0.25 0.71 0.45 -1.57 0.00 0.00 175.55 175.03 3d5m s SER 453 N 0.39 6.68 -0.03 2.29 0.15 -1.23 -0.82 113.70 121.13 3d5m s SER 453 Ca -0.11 0.84 0.03 0.00 0.70 0.00 0.00 55.95 57.42 3d5m s SER 453 Cb -0.14 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3d5m s SER 453 CO 0.04 -0.43 -0.13 -0.63 1.20 0.00 0.00 173.24 173.29 3d5m s ILE 454 N 2.63 1.09 -0.31 6.45 1.01 0.13 -4.88 121.20 127.33 3d5m s ILE 454 Ca 0.30 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 3d5m s ILE 454 Cb -0.15 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.37 3d5m s ILE 454 CO 0.08 0.33 0.97 -1.61 0.00 0.00 0.00 174.94 174.70 3d5m s GLU 455 N 0.13 4.04 0.53 2.79 2.02 -1.26 0.28 118.70 127.23 3d5m s GLU 455 Ca -0.04 0.92 0.36 0.00 0.02 0.00 0.00 54.97 56.23 3d5m s GLU 455 Cb -0.10 -3.73 1.52 0.00 0.10 0.00 0.00 34.13 31.93 3d5m s GLU 455 CO 0.01 -0.80 1.80 -1.35 0.02 0.00 0.00 175.26 174.94 3d5m h PRO 456 N 8.05 0.03 0.00 0.39 0.11 -1.78 0.65 132.00 139.45 3d5m h PRO 456 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3d5m h PRO 456 Cb 1.07 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d5m h PRO 456 CO 0.97 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 180.06 3d5m n LEU 457 N -4.21 0.64 -0.53 2.35 4.77 -1.25 -2.11 117.00 116.66 3d5m n LEU 457 Ca 0.26 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.96 3d5m n LEU 457 Cb 1.24 -0.47 0.38 0.00 -2.33 0.00 0.00 43.42 42.23 3d5m n LEU 457 CO 0.39 -0.37 0.77 0.47 -1.33 0.00 0.00 177.39 177.33 3d5m n ASP 458 N -2.16 1.58 -0.34 -1.43 10.43 0.22 -4.44 116.55 120.41 3d5m n ASP 458 Ca 0.04 -1.70 -0.03 0.00 2.57 0.00 0.00 54.79 55.66 3d5m n ASP 458 Cb 0.31 -0.10 0.09 0.00 1.84 0.00 0.00 41.12 43.25 3d5m n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3d5m h LEU 459 N 2.08 1.06 -0.68 0.64 3.38 -1.54 -1.20 115.31 119.04 3d5m h LEU 459 Ca 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3d5m h LEU 459 Cb 0.46 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3d5m h LEU 459 CO 0.00 0.78 0.45 -0.65 0.09 0.00 0.00 178.44 179.11 3d5m h PRO 460 N 1.24 0.89 -0.57 1.13 0.11 -1.84 0.41 132.00 133.37 3d5m h PRO 460 Ca 0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 3d5m h PRO 460 Cb -0.12 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.76 3d5m h PRO 460 CO -0.07 0.59 0.31 1.96 -0.21 0.00 0.00 178.00 180.58 3d5m h GLN 461 N 0.92 0.79 -0.01 1.05 7.50 -1.81 -1.51 115.11 122.05 3d5m h GLN 461 Ca 0.25 -0.10 -0.00 0.00 0.50 0.00 0.00 58.65 59.31 3d5m h GLN 461 Cb -0.09 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.28 3d5m h GLN 461 CO -0.06 0.61 0.00 0.82 -1.50 0.00 0.00 178.83 178.71 3d5m h ILE 462 N 0.76 1.07 -0.52 2.54 2.04 -0.81 -2.21 117.51 120.38 3d5m h ILE 462 Ca 0.20 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3d5m h ILE 462 Cb 0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3d5m h ILE 462 CO -0.03 0.05 0.29 0.40 0.00 0.00 0.00 178.15 178.86 3d5m h ILE 463 N -0.07 1.17 -0.36 -0.67 2.04 -0.87 -1.80 117.51 116.96 3d5m h ILE 463 Ca 0.00 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.49 3d5m h ILE 463 Cb 0.08 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3d5m h ILE 463 CO -0.00 0.19 -0.04 -0.08 0.00 0.00 0.00 178.15 178.21 3d5m h GLU 464 N 0.69 0.05 -0.71 2.37 4.81 -1.16 0.15 114.58 120.78 3d5m h GLU 464 Ca 0.18 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3d5m h GLU 464 Cb 0.04 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3d5m h GLU 464 CO -0.03 0.03 0.28 0.00 -0.73 0.00 0.00 179.01 178.56 3d5m h ARG 465 N 0.05 1.04 0.00 1.92 2.47 -1.04 0.25 114.38 119.08 3d5m h ARG 465 Ca 0.17 -0.18 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 3d5m h ARG 465 Cb 0.25 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3d5m h ARG 465 CO -0.33 0.85 -1.21 -0.07 0.56 0.00 0.00 179.97 179.77 3d5m h LEU 466 N 1.02 0.00 0.00 3.04 4.07 -0.85 -3.41 115.31 119.18 3d5m h LEU 466 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3d5m h LEU 466 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 3d5m h LEU 466 CO -0.02 0.52 -0.53 1.41 -1.08 0.00 0.00 178.44 178.74 3d5m n HIS 467 N -2.93 0.00 0.00 1.13 8.25 0.48 -1.84 115.22 120.30 3d5m n HIS 467 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3d5m n HIS 467 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 3d5m n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5m n GLY 468 N 1.41 -0.33 0.23 -1.41 0.00 0.89 -4.58 105.19 101.40 3d5m n GLY 468 Ca 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.34 3d5m n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d5m h LEU 469 N 0.00 0.00 -0.95 0.99 3.38 -1.89 -2.84 115.31 113.99 3d5m h LEU 469 Ca 0.00 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.34 3d5m h LEU 469 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 3d5m h LEU 469 CO 0.00 0.14 0.42 -1.20 0.09 0.00 0.00 178.44 177.89 3d5m n SER 470 N -4.31 0.25 0.10 -0.43 7.64 -1.26 -0.16 113.62 115.44 3d5m n SER 470 Ca -0.03 1.59 0.16 0.00 1.01 0.00 0.00 58.87 61.61 3d5m n SER 470 Cb 0.21 -0.74 0.68 0.00 -1.01 0.00 0.00 64.21 63.36 3d5m n SER 470 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d5m h ALA 471 N 1.91 2.30 -0.00 -0.43 0.00 -1.75 0.20 119.26 121.49 3d5m h ALA 471 Ca 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.67 3d5m h ALA 471 Cb 1.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3d5m h ALA 471 CO -0.77 -0.42 -0.32 1.19 0.00 0.00 0.00 179.25 178.93 3d5m n PHE 472 N -4.39 0.00 -0.16 0.00 3.72 0.77 -4.20 117.46 113.20 3d5m n PHE 472 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3d5m n PHE 472 Cb 0.43 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3d5m n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d5m n SER 473 N -1.36 1.39 -4.75 4.37 7.64 0.63 -4.52 113.62 117.02 3d5m n SER 473 Ca 0.07 -1.55 -0.41 0.00 1.01 0.00 0.00 58.87 58.00 3d5m n SER 473 Cb 0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 3d5m n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d5m s LEU 474 N -0.55 4.44 0.32 -3.43 1.02 -0.71 -3.93 118.68 115.86 3d5m s LEU 474 Ca 0.00 2.48 -0.07 0.00 0.02 0.00 0.00 54.13 56.55 3d5m s LEU 474 Cb 0.00 -3.63 0.01 0.00 0.02 0.00 0.00 46.19 42.59 3d5m s LEU 474 CO 0.00 -0.46 0.52 -1.38 0.02 0.00 0.00 176.35 175.05 3d5m s HIS 475 N -0.54 0.72 -1.29 0.29 -3.43 0.11 -4.95 115.29 106.20 3d5m s HIS 475 Ca 0.52 -1.06 -0.04 0.00 -0.80 0.00 0.00 55.06 53.67 3d5m s HIS 475 Cb -0.37 0.14 0.01 0.00 -1.43 0.00 0.00 32.58 30.93 3d5m s HIS 475 CO 0.44 -1.17 1.03 0.43 -2.00 0.00 0.00 174.74 173.47 3d5m n SER 476 N -1.12 -3.66 -4.57 7.38 7.64 -1.26 -0.46 113.62 117.56 3d5m n SER 476 Ca -0.01 -0.63 -0.31 0.00 1.01 0.00 0.00 58.87 58.93 3d5m n SER 476 Cb 0.61 -4.89 0.17 0.00 -1.01 0.00 0.00 64.21 59.09 3d5m n SER 476 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3d5m n TYR 477 N -4.49 -0.02 -2.88 1.43 4.01 -1.26 -4.43 117.16 109.52 3d5m n TYR 477 Ca -0.16 0.27 -0.36 0.00 -0.16 0.00 0.00 57.90 57.49 3d5m n TYR 477 Cb 0.62 -1.89 -0.06 0.00 -0.31 0.00 0.00 39.34 37.70 3d5m n TYR 477 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3d5m s SER 478 N -2.45 7.17 0.31 7.72 1.04 -1.25 -4.86 113.70 121.39 3d5m s SER 478 Ca 0.65 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.84 3d5m s SER 478 Cb -0.23 -2.53 0.77 0.00 0.10 0.00 0.00 66.02 64.13 3d5m s SER 478 CO 0.61 -0.11 1.78 1.55 0.98 0.00 0.00 173.24 178.05 3d5m h PRO 479 N 2.94 0.72 -0.42 4.02 0.13 -1.97 0.19 132.00 137.61 3d5m h PRO 479 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3d5m h PRO 479 Cb 1.19 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3d5m h PRO 479 CO 0.64 0.47 0.24 0.78 -0.23 0.00 0.00 178.00 179.91 3d5m h GLY 480 N 0.74 0.62 0.59 1.56 0.00 -1.99 0.11 103.07 104.70 3d5m h GLY 480 Ca 0.58 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 3d5m h GLY 480 CO -0.38 0.26 -0.01 -2.09 0.00 0.00 0.00 176.54 174.33 3d5m h GLU 481 N 0.55 0.03 -0.85 4.80 4.57 -1.72 -1.97 114.58 119.99 3d5m h GLU 481 Ca 0.15 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.40 3d5m h GLU 481 Cb 0.03 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.55 3d5m h GLU 481 CO -0.03 0.45 0.50 0.82 -1.18 0.00 0.00 179.01 179.57 3d5m h ILE 482 N -0.39 0.94 -0.63 2.32 2.04 -0.64 -0.39 117.51 120.77 3d5m h ILE 482 Ca 0.00 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3d5m h ILE 482 Cb 0.44 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3d5m h ILE 482 CO 0.00 0.16 0.08 0.78 0.00 0.00 0.00 178.15 179.17 3d5m h ASN 483 N 0.85 0.99 -0.39 1.72 2.35 -0.74 -0.60 115.58 119.76 3d5m h ASN 483 Ca 0.40 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3d5m h ASN 483 Cb 0.33 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3d5m h ASN 483 CO -0.23 1.00 -0.13 -0.09 -1.65 0.00 0.00 177.43 176.33 3d5m h ARG 484 N 0.97 0.78 0.78 0.81 2.43 -0.68 0.02 114.38 119.48 3d5m h ARG 484 Ca 0.19 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3d5m h ARG 484 Cb 0.44 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3d5m h ARG 484 CO 0.01 0.93 -0.37 0.28 -1.51 0.00 0.00 179.97 179.31 3d5m h VAL 485 N 0.59 0.24 -0.75 0.20 2.07 -1.03 -2.01 116.25 115.55 3d5m h VAL 485 Ca 0.10 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.71 3d5m h VAL 485 Cb 0.66 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 3d5m h VAL 485 CO 0.05 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.03 3d5m h ALA 486 N -0.81 1.06 -0.69 1.67 0.00 -1.06 0.20 119.26 119.63 3d5m h ALA 486 Ca -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3d5m h ALA 486 Cb 0.80 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3d5m h ALA 486 CO 0.17 -0.01 0.40 1.03 0.00 0.00 0.00 179.25 180.84 3d5m h SER 487 N 0.65 0.83 -0.14 0.00 0.87 -1.00 -1.51 113.55 113.25 3d5m h SER 487 Ca 0.37 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3d5m h SER 487 Cb 0.40 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3d5m h SER 487 CO -0.27 0.65 0.03 0.00 -0.53 0.00 0.00 176.83 176.71 3d5m h LEU 489 N 0.03 0.89 0.05 0.00 3.38 -1.00 -0.24 115.31 118.42 3d5m h LEU 489 Ca 0.04 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3d5m h LEU 489 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3d5m h LEU 489 CO 0.00 0.66 -0.17 0.03 0.09 0.00 0.00 178.44 179.04 3d5m h ARG 490 N 1.04 -0.30 -0.55 1.13 3.08 -1.24 0.20 114.38 117.74 3d5m h ARG 490 Ca 0.28 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.42 3d5m h ARG 490 Cb -0.10 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 3d5m h ARG 490 CO -0.06 -0.20 0.24 -0.22 -1.07 0.00 0.00 179.97 178.67 3d5m h LYS 491 N -0.31 0.44 0.00 0.04 3.64 -0.96 -3.10 116.57 116.32 3d5m h LYS 491 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3d5m h LYS 491 Cb 0.35 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3d5m h LYS 491 CO -0.13 0.29 -0.57 1.28 -2.27 0.00 0.00 179.45 178.05 3d5m n LEU 492 N -4.94 0.68 -2.00 5.20 4.32 -0.14 -4.86 117.00 115.27 3d5m n LEU 492 Ca 0.06 0.24 -0.10 0.00 -0.02 0.00 0.00 56.01 56.19 3d5m n LEU 492 Cb 0.20 -0.20 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 3d5m n LEU 492 CO 0.26 -0.05 0.09 0.61 -1.22 0.00 0.00 177.39 177.08 3d5m n GLY 493 N 1.35 0.19 3.81 -0.72 0.00 0.58 -1.57 105.19 108.83 3d5m n GLY 493 Ca 0.04 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3d5m n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5m s VAL 494 N -3.15 4.96 0.55 1.61 1.01 -0.40 -0.65 120.40 124.31 3d5m s VAL 494 Ca 0.16 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.92 3d5m s VAL 494 Cb -0.07 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3d5m s VAL 494 CO 0.34 0.53 1.16 -2.65 0.00 0.00 0.00 175.10 174.48 3d5m n PRO 495 N 2.10 1.35 -0.73 2.72 -0.02 -1.26 -4.71 135.00 134.45 3d5m n PRO 495 Ca -0.12 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 3d5m n PRO 495 Cb 0.52 -2.34 0.15 0.00 -0.02 0.00 0.00 33.50 31.80 3d5m n PRO 495 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3d5m n PRO 496 N -0.83 -0.38 0.28 0.52 -0.04 -1.26 -4.81 135.00 128.48 3d5m n PRO 496 Ca 0.11 -0.05 0.18 0.00 -0.04 0.00 0.00 63.50 63.70 3d5m n PRO 496 Cb 0.45 -2.18 0.79 0.00 -0.04 0.00 0.00 33.50 32.52 3d5m n PRO 496 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3d5m h LEU 497 N -1.75 0.00 -0.96 1.53 3.38 -2.00 -1.17 115.31 114.35 3d5m h LEU 497 Ca -0.43 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3d5m h LEU 497 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3d5m h LEU 497 CO 0.39 0.00 -0.27 0.08 0.09 0.00 0.00 178.44 178.72 3d5m h ARG 498 N 0.00 0.43 -0.47 1.13 0.11 -1.99 -0.20 114.38 113.40 3d5m h ARG 498 Ca 0.00 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 59.85 3d5m h ARG 498 Cb 0.38 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.42 3d5m h ARG 498 CO 0.00 0.67 0.02 0.28 0.10 0.00 0.00 179.97 181.04 3d5m h VAL 499 N 0.38 1.26 -0.45 0.08 2.07 -1.55 -1.33 116.25 116.71 3d5m h VAL 499 Ca 0.05 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 3d5m h VAL 499 Cb 0.68 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3d5m h VAL 499 CO 0.05 0.35 -0.15 -0.50 0.02 0.00 0.00 177.57 177.35 3d5m h TRP 500 N 0.67 0.94 -0.65 1.57 4.06 -1.42 -0.51 115.95 120.61 3d5m h TRP 500 Ca 0.14 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 3d5m h TRP 500 Cb 0.47 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 3d5m h TRP 500 CO 0.04 0.93 0.36 -0.09 -3.56 0.00 0.00 178.44 176.12 3d5m h ARG 501 N 0.75 0.90 0.05 0.49 2.43 -0.92 0.17 114.38 118.25 3d5m h ARG 501 Ca 0.12 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3d5m h ARG 501 Cb 0.66 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3d5m h ARG 501 CO 0.05 0.67 -0.02 1.25 -1.51 0.00 0.00 179.97 180.40 3d5m h HIS 502 N 0.88 -0.06 -0.55 2.20 2.76 -0.90 -2.37 115.15 117.10 3d5m h HIS 502 Ca 0.23 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3d5m h HIS 502 Cb 0.02 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 3d5m h HIS 502 CO -0.01 0.04 0.34 0.00 -1.30 0.00 0.00 177.93 177.00 3d5m h ARG 503 N -0.15 0.74 -0.73 5.26 3.08 -0.92 -3.00 114.38 118.67 3d5m h ARG 503 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3d5m h ARG 503 Cb 0.13 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3d5m h ARG 503 CO 0.01 0.53 0.41 0.00 -1.07 0.00 0.00 179.97 179.85 3d5m h ALA 504 N 1.17 1.35 -0.52 0.04 0.00 -0.57 -0.30 119.26 120.43 3d5m h ALA 504 Ca 0.20 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3d5m h ALA 504 Cb -0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 3d5m h ALA 504 CO -0.04 0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.96 3d5m h ARG 505 N 1.01 0.40 0.34 0.00 3.08 -1.29 0.27 114.38 118.18 3d5m h ARG 505 Ca 0.26 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3d5m h ARG 505 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3d5m h ARG 505 CO -0.04 0.26 -0.16 1.03 -1.07 0.00 0.00 179.97 179.98 3d5m h SER 506 N 0.41 -0.39 -0.30 7.04 0.87 -1.18 -1.44 113.55 118.56 3d5m h SER 506 Ca 0.25 -0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.81 3d5m h SER 506 Cb 0.24 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 3d5m h SER 506 CO -0.23 -0.17 -0.25 0.58 -0.53 0.00 0.00 176.83 176.23 3d5m h VAL 507 N -0.59 0.36 -0.20 2.23 2.07 -0.88 -0.62 116.25 118.62 3d5m h VAL 507 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3d5m h VAL 507 Cb 0.43 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3d5m h VAL 507 CO 0.08 0.00 -0.13 -0.09 0.02 0.00 0.00 177.57 177.45 3d5m h ARG 508 N -0.23 -0.11 -0.43 1.57 2.43 -0.44 -0.16 114.38 117.00 3d5m h ARG 508 Ca 0.15 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3d5m h ARG 508 Cb 0.47 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3d5m h ARG 508 CO -0.43 -0.08 0.24 0.00 -1.51 0.00 0.00 179.97 178.19 3d5m h ALA 509 N 1.03 0.55 -0.72 2.80 0.00 -0.91 0.15 119.26 122.16 3d5m h ALA 509 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d5m h ALA 509 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3d5m h ALA 509 CO -0.27 -0.10 0.43 0.00 0.00 0.00 0.00 179.25 179.31 3d5m h ARG 510 N 0.48 0.97 -0.08 0.00 3.08 -0.81 0.04 114.38 118.06 3d5m h ARG 510 Ca 0.18 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3d5m h ARG 510 Cb 0.05 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3d5m h ARG 510 CO -0.10 0.69 0.02 -0.07 -1.07 0.00 0.00 179.97 179.44 3d5m h LEU 511 N 0.98 0.12 -0.50 3.04 3.38 -0.64 -2.84 115.31 118.85 3d5m h LEU 511 Ca 0.26 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3d5m h LEU 511 Cb -0.03 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3d5m h LEU 511 CO -0.05 0.32 0.04 -0.07 0.09 0.00 0.00 178.44 178.77 3d5m h LEU 512 N -0.07 -0.13 -1.75 1.67 4.07 -0.42 -0.29 115.31 118.39 3d5m h LEU 512 Ca 0.03 0.11 0.18 0.00 0.08 0.00 0.00 57.88 58.27 3d5m h LEU 512 Cb 0.24 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 3d5m h LEU 512 CO 0.00 -0.04 0.51 0.28 -1.08 0.00 0.00 178.44 178.11 3d5m h SER 513 N 0.16 0.23 -0.11 -0.43 0.02 -0.95 -2.20 113.55 110.27 3d5m h SER 513 Ca 0.26 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 3d5m h SER 513 Cb 0.38 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3d5m h SER 513 CO -0.39 0.11 -0.29 -0.61 -1.14 0.00 0.00 176.83 174.51 3d5m h GLN 514 N 0.24 0.58 0.00 3.45 5.75 -0.79 -3.50 115.11 120.83 3d5m h GLN 514 Ca 0.36 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3d5m h GLN 514 Cb 1.08 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3d5m h GLN 514 CO -0.08 0.81 0.00 0.41 -2.65 0.00 0.00 178.83 177.32 3d5m n GLY 515 N -0.23 -2.64 7.00 2.39 0.00 -0.83 -4.90 105.19 105.99 3d5m n GLY 515 Ca -0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3d5m n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5m n GLY 516 N -0.81 2.33 0.32 -0.02 0.00 -1.26 -2.01 105.19 103.74 3d5m n GLY 516 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.75 3d5m n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d5m h ARG 517 N 0.00 0.31 -0.60 1.61 3.08 -1.95 -1.78 114.38 115.05 3d5m h ARG 517 Ca 0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3d5m h ARG 517 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3d5m h ARG 517 CO 0.00 0.20 0.01 0.00 -1.07 0.00 0.00 179.97 179.11 3d5m h ALA 518 N 1.80 0.81 -0.22 0.04 0.00 -1.79 -0.24 119.26 119.65 3d5m h ALA 518 Ca 0.16 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3d5m h ALA 518 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3d5m h ALA 518 CO -0.03 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.56 3d5m h ALA 519 N 0.98 1.07 -0.79 0.00 0.00 -0.72 -0.19 119.26 119.61 3d5m h ALA 519 Ca 0.17 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3d5m h ALA 519 Cb 0.55 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3d5m h ALA 519 CO 0.03 0.57 0.39 1.15 0.00 0.00 0.00 179.25 181.39 3d5m h THR 520 N 0.39 1.24 -0.45 0.00 2.02 -0.93 0.18 112.91 115.36 3d5m h THR 520 Ca 0.05 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 3d5m h THR 520 Cb 0.73 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3d5m h THR 520 CO 0.06 0.29 0.06 0.00 0.37 0.00 0.00 175.52 176.29 3d5m h GLY 522 N 0.62 0.96 0.52 0.00 0.00 -0.58 -1.86 103.07 102.72 3d5m h GLY 522 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3d5m h GLY 522 CO 0.01 0.28 -0.05 1.70 0.00 0.00 0.00 176.54 178.48 3d5m h LYS 523 N 0.83 -0.14 0.02 4.80 3.64 -0.54 -3.09 116.57 122.08 3d5m h LYS 523 Ca 0.27 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3d5m h LYS 523 Cb 0.00 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3d5m h LYS 523 CO -0.10 0.29 -0.31 1.88 -2.27 0.00 0.00 179.45 178.94 3d5m h TYR 524 N -0.63 0.06 0.00 1.91 -1.99 -1.49 -2.95 116.97 111.88 3d5m h TYR 524 Ca -0.02 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.59 3d5m h TYR 524 Cb 0.50 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3d5m h TYR 524 CO 0.07 1.12 -0.38 -0.07 -0.00 0.00 0.00 178.16 178.90 3d5m h LEU 525 N -0.93 0.00 -2.97 3.88 3.38 -1.51 -3.29 115.31 113.87 3d5m h LEU 525 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3d5m h LEU 525 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3d5m h LEU 525 CO -0.02 0.38 -0.01 0.49 0.09 0.00 0.00 178.44 179.38 3d5m n PHE 526 N -4.01 0.00 0.23 1.13 3.72 -1.17 -4.63 117.46 112.74 3d5m n PHE 526 Ca -0.02 -0.77 0.15 0.00 -0.05 0.00 0.00 57.45 56.77 3d5m n PHE 526 Cb 0.42 -0.10 0.82 0.00 -0.94 0.00 0.00 39.48 39.68 3d5m n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3d5m h ASN 527 N 0.00 0.00 0.40 4.37 -1.24 -1.59 -1.69 115.58 115.83 3d5m h ASN 527 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 3d5m h ASN 527 Cb 0.79 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 3d5m h ASN 527 CO 0.00 0.00 -0.23 4.11 -1.29 0.00 0.00 177.43 180.02 3d5m h TRP 528 N 0.00 0.00 0.04 0.67 5.08 -1.82 -3.18 115.95 116.74 3d5m h TRP 528 Ca 0.06 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.81 3d5m h TRP 528 Cb 0.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 3d5m h TRP 528 CO 0.00 0.23 -1.01 0.00 -1.28 0.00 0.00 178.44 176.38 3d5m h ALA 529 N 1.77 0.36 -2.61 0.11 0.00 -1.66 -3.45 119.26 113.77 3d5m h ALA 529 Ca -0.00 -0.82 -0.53 0.00 0.00 0.00 0.00 54.91 53.56 3d5m h ALA 529 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3d5m h ALA 529 CO 0.03 1.01 0.25 0.54 0.00 0.00 0.00 179.25 181.09 3d5m s VAL 530 N -2.93 4.64 0.15 0.00 0.11 -1.20 -4.89 120.40 116.28 3d5m s VAL 530 Ca -0.02 1.84 -0.08 0.00 -2.93 0.00 0.00 61.98 60.78 3d5m s VAL 530 Cb 0.09 -4.21 -0.08 0.00 -1.53 0.00 0.00 36.38 30.65 3d5m s VAL 530 CO 0.84 0.34 1.44 0.50 -3.33 0.00 0.00 175.10 174.89 3d5m h LYS 531 N 5.67 0.75 -4.37 1.54 3.64 -1.87 -3.37 116.57 118.56 3d5m h LYS 531 Ca -0.43 -0.48 -0.74 0.00 -1.27 0.00 0.00 60.65 57.72 3d5m h LYS 531 Cb 1.21 0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.87 3d5m h LYS 531 CO 0.71 1.11 0.35 0.95 -2.27 0.00 0.00 179.45 180.30 3d5m s THR 532 N -4.06 5.19 0.31 1.00 -4.23 -1.26 -5.04 115.64 107.56 3d5m s THR 532 Ca -0.09 -1.94 -0.28 0.00 -1.18 0.00 0.00 61.69 58.20 3d5m s THR 532 Cb 0.10 -4.58 -0.09 0.00 1.34 0.00 0.00 72.50 69.27 3d5m s THR 532 CO 0.87 -1.21 1.13 -0.54 -0.54 0.00 0.00 174.62 174.34 3d5m s LYS 533 N 1.42 4.49 0.36 3.99 1.02 -1.26 -5.05 119.74 124.71 3d5m s LYS 533 Ca 0.22 1.84 -0.09 0.00 0.02 0.00 0.00 55.97 57.96 3d5m s LYS 533 Cb -0.11 -3.05 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 3d5m s LYS 533 CO -0.07 0.07 0.69 -0.51 -0.92 0.00 0.00 175.35 174.61 3d5m s LEU 534 N -1.72 3.92 -0.11 3.17 1.02 -1.26 -5.05 118.68 118.64 3d5m s LEU 534 Ca 0.48 0.99 -0.30 0.00 0.02 0.00 0.00 54.13 55.32 3d5m s LEU 534 Cb -0.32 -3.84 -0.02 0.00 0.02 0.00 0.00 46.19 42.03 3d5m s LEU 534 CO 0.41 -0.32 1.17 -0.75 0.02 0.00 0.00 176.35 176.88 3d5m s LYS 535 N -3.70 4.32 -0.48 1.70 2.47 -1.26 -5.00 119.74 117.78 3d5m s LYS 535 Ca 0.49 1.59 -0.15 0.00 -1.56 0.00 0.00 55.97 56.34 3d5m s LYS 535 Cb -0.10 -3.62 0.09 0.00 -1.46 0.00 0.00 37.83 32.73 3d5m s LYS 535 CO 0.30 -0.52 0.41 -0.51 0.16 0.00 0.00 175.35 175.19 3d5m s LEU 536 N 2.65 5.71 0.45 5.43 1.43 -1.26 -5.07 118.68 128.02 3d5m s LEU 536 Ca 0.53 -1.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.14 3d5m s LEU 536 Cb -0.22 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3d5m s LEU 536 CO 0.17 -0.68 0.73 0.42 0.23 0.00 0.00 176.35 177.22 3d5m s THR 537 N 1.61 4.90 0.21 5.49 -4.23 -1.26 -5.04 115.64 117.32 3d5m s THR 537 Ca 0.04 0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.26 3d5m s THR 537 Cb -0.25 -3.85 -0.15 0.00 1.34 0.00 0.00 72.50 69.59 3d5m s THR 537 CO 0.05 -0.76 1.15 -2.65 -0.54 0.00 0.00 174.62 171.87 3d5m n PRO 538 N -2.16 1.32 -2.50 3.99 -0.02 -1.26 -4.91 135.00 129.45 3d5m n PRO 538 Ca -0.01 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3d5m n PRO 538 Cb 0.55 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 3d5m n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d5m s ILE 539 N -0.42 4.41 0.58 4.25 1.01 -1.26 -5.02 121.20 124.75 3d5m s ILE 539 Ca 0.68 1.70 -0.18 0.00 0.00 0.00 0.00 60.65 62.86 3d5m s ILE 539 Cb -0.78 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 37.55 3d5m s ILE 539 CO 0.54 -0.12 1.12 -2.16 0.00 0.00 0.00 174.94 174.32 3d5m s PRO 540 N 3.14 3.16 -0.15 2.79 0.04 -1.26 -3.38 135.00 139.35 3d5m s PRO 540 Ca 0.52 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3d5m s PRO 540 Cb -0.20 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3d5m s PRO 540 CO 0.14 -0.98 0.00 0.00 0.04 0.00 0.00 177.00 176.20 3d5m n ALA 541 N -1.71 -0.02 0.06 8.56 0.00 -1.26 -4.81 120.51 121.33 3d5m n ALA 541 Ca 0.11 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 3d5m n ALA 541 Cb 0.51 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 3d5m n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5m h ALA 542 N 0.00 0.50 -0.06 0.00 0.00 -1.96 -3.25 119.26 114.49 3d5m h ALA 542 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3d5m h ALA 542 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3d5m h ALA 542 CO 0.04 0.81 0.00 0.43 0.00 0.00 0.00 179.25 180.53 3d5m n SER 543 N -3.77 1.03 -0.11 0.00 7.64 -1.26 -3.01 113.62 114.14 3d5m n SER 543 Ca -0.05 -2.05 -0.23 0.00 1.01 0.00 0.00 58.87 57.55 3d5m n SER 543 Cb 0.77 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 3d5m n SER 543 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3d5m n GLN 544 N -0.08 0.63 -2.06 1.43 0.00 -1.23 -4.94 117.38 111.14 3d5m n GLN 544 Ca 0.02 0.26 -0.42 0.00 -0.00 0.00 0.00 57.00 56.86 3d5m n GLN 544 Cb 0.23 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 28.88 3d5m n GLN 544 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3d5m s LEU 545 N -7.12 4.34 -0.18 1.69 2.96 -1.16 -4.98 118.68 114.22 3d5m s LEU 545 Ca -0.34 2.30 -0.18 0.00 -0.22 0.00 0.00 54.13 55.69 3d5m s LEU 545 Cb 0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3d5m s LEU 545 CO 0.58 -0.81 0.50 1.51 -1.32 0.00 0.00 176.35 176.81 3d5m s ASP 546 N 2.22 6.59 -0.66 3.68 -4.77 -1.26 -4.95 116.67 117.52 3d5m s ASP 546 Ca 0.69 0.70 -0.02 0.00 -3.30 0.00 0.00 52.55 50.62 3d5m s ASP 546 Cb -0.36 -2.29 0.45 0.00 -1.09 0.00 0.00 42.92 39.64 3d5m s ASP 546 CO 0.29 -0.12 2.04 0.18 0.70 0.00 0.00 175.17 178.26 3d5m n LEU 547 N 4.46 7.69 -4.79 2.11 4.77 -1.26 -4.94 117.00 125.04 3d5m n LEU 547 Ca -0.06 -4.26 -0.35 0.00 -0.03 0.00 0.00 56.01 51.31 3d5m n LEU 547 Cb 0.51 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 3d5m n LEU 547 CO 0.42 1.46 0.74 -0.44 -1.33 0.00 0.00 177.39 178.24 3d5m s SER 548 N -1.79 6.40 0.00 -1.43 0.01 -1.26 -2.65 113.70 112.98 3d5m s SER 548 Ca 0.64 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.92 3d5m s SER 548 Cb 0.51 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 64.16 3d5m s SER 548 CO -0.01 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.51 3d5m n GLY 549 N 0.02 3.13 3.76 3.44 0.00 -1.26 -5.02 105.19 109.26 3d5m n GLY 549 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3d5m n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d5m s TRP 550 N -1.78 3.69 -1.35 1.61 0.52 -1.09 -4.41 118.94 116.13 3d5m s TRP 550 Ca 0.00 1.23 -0.01 0.00 0.02 0.00 0.00 56.10 57.34 3d5m s TRP 550 Cb 0.00 -2.64 0.01 0.00 -1.15 0.00 0.00 33.47 29.69 3d5m s TRP 550 CO 0.00 0.34 0.66 1.19 0.02 0.00 0.00 176.95 179.16 3d5m n PHE 551 N 2.77 -1.88 -0.07 -1.98 3.72 -1.26 -4.89 117.46 113.86 3d5m n PHE 551 Ca -0.06 0.83 -0.14 0.00 -0.05 0.00 0.00 57.45 58.02 3d5m n PHE 551 Cb 0.51 -4.22 -0.05 0.00 -0.94 0.00 0.00 39.48 34.78 3d5m n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3d5m n VAL 552 N -4.33 1.14 -4.01 -4.37 0.31 -1.24 -4.33 118.33 101.50 3d5m n VAL 552 Ca -0.28 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 3d5m n VAL 552 Cb 0.67 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 3d5m n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5m s ALA 553 N -2.42 -0.01 0.05 3.52 0.00 -1.25 -4.14 121.76 117.51 3d5m s ALA 553 Ca -0.23 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3d5m s ALA 553 Cb 0.07 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.21 3d5m s ALA 553 CO 0.30 -0.84 0.18 0.20 0.00 0.00 0.00 175.76 175.60 3d5m s GLY 554 N -3.08 2.15 0.00 0.00 0.00 -1.26 -4.92 107.32 100.22 3d5m s GLY 554 Ca 0.24 -0.86 0.16 0.00 0.00 0.00 0.00 44.72 44.26 3d5m s GLY 554 CO 0.12 -0.83 1.09 -1.72 0.00 0.00 0.00 173.10 171.76 3d5m n TYR 555 N 0.42 0.00 -1.68 1.90 4.01 0.56 -4.51 117.16 117.85 3d5m n TYR 555 Ca -0.07 -0.36 -0.45 0.00 -0.16 0.00 0.00 57.90 56.86 3d5m n TYR 555 Cb 0.51 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 3d5m n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d5m n SER 556 N 0.32 3.52 0.00 7.72 2.88 -1.24 0.42 113.62 127.24 3d5m n SER 556 Ca 0.01 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3d5m n SER 556 Cb 0.98 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 3d5m n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d5m n GLY 557 N 3.90 0.85 0.59 0.46 0.00 -1.26 -4.07 105.19 105.65 3d5m n GLY 557 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3d5m n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5m n GLY 558 N -2.00 0.44 3.56 -0.02 0.00 0.17 -3.10 105.19 104.24 3d5m n GLY 558 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 3d5m n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d5m n ASP 559 N 0.40 -2.20 -4.49 1.61 2.03 -1.26 -4.56 116.55 108.09 3d5m n ASP 559 Ca 0.14 -0.69 -0.33 0.00 0.52 0.00 0.00 54.79 54.42 3d5m n ASP 559 Cb 0.30 -4.71 -0.13 0.00 -0.72 0.00 0.00 41.12 35.87 3d5m n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3d5m s ILE 560 N -3.46 3.48 -0.03 5.18 -1.09 -1.26 -4.39 121.20 119.63 3d5m s ILE 560 Ca 0.07 -0.54 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 3d5m s ILE 560 Cb -0.03 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3d5m s ILE 560 CO 0.76 0.55 -0.09 -0.47 -1.23 0.00 0.00 174.94 174.46 3d5m s TYR 561 N -0.20 1.01 0.00 3.97 5.04 0.74 -1.18 117.35 126.73 3d5m s TYR 561 Ca 0.02 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 3d5m s TYR 561 Cb -0.13 -0.72 0.00 0.00 0.35 0.00 0.00 41.96 41.46 3d5m s TYR 561 CO 0.03 -0.12 0.40 0.72 -1.34 0.00 0.00 175.55 175.24