#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vak s ILE 74 N 0.00 4.97 -0.33 -0.61 1.01 -1.26 -4.43 121.20 120.54 1vak s ILE 74 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.68 1vak s ILE 74 Cb 0.00 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.74 1vak s ILE 74 CO 0.00 0.50 0.04 -0.89 0.00 0.00 0.00 174.94 174.59 1vak s THR 75 N -0.60 2.69 -0.01 2.92 2.01 -0.62 -4.96 115.64 117.07 1vak s THR 75 Ca 0.27 -1.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.22 1vak s THR 75 Cb -0.17 -2.75 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1vak s THR 75 CO 0.15 -0.37 0.49 -0.69 -0.69 0.00 0.00 174.62 173.50 1vak s VAL 76 N 1.09 4.98 -0.04 3.82 1.01 -1.26 -1.43 120.40 128.57 1vak s VAL 76 Ca 0.02 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 1vak s VAL 76 Cb -0.20 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1vak s VAL 76 CO -0.05 0.50 0.08 -0.22 0.00 0.00 0.00 175.10 175.41 1vak s LEU 77 N -0.59 1.23 -0.14 3.92 0.20 -0.51 -5.00 118.68 117.80 1vak s LEU 77 Ca 0.26 0.17 0.02 0.00 0.69 0.00 0.00 54.13 55.27 1vak s LEU 77 Cb -0.17 0.20 0.01 0.00 -0.43 0.00 0.00 46.19 45.80 1vak s LEU 77 CO 0.14 -0.09 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.01 1vak s THR 78 N 0.68 1.97 0.02 3.68 2.01 -1.26 -0.75 115.64 121.99 1vak s THR 78 Ca -0.05 -0.92 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 1vak s THR 78 Cb -0.07 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.75 1vak s THR 78 CO -0.03 0.53 0.62 -2.28 -0.69 0.00 0.00 174.62 172.77 1vak s HIS 79 N 0.85 -0.57 0.16 4.92 5.04 -0.30 -5.00 115.29 120.39 1vak s HIS 79 Ca -0.07 0.80 0.08 0.00 -1.54 0.00 0.00 55.06 54.33 1vak s HIS 79 Cb -0.15 0.42 -0.04 0.00 0.04 0.00 0.00 32.58 32.84 1vak s HIS 79 CO -0.02 -0.66 -0.09 -1.12 -2.34 0.00 0.00 174.74 170.51 1vak s SER 80 N -1.68 4.30 0.06 9.88 0.01 -1.26 -1.20 113.70 123.81 1vak s SER 80 Ca -0.07 -0.53 -0.26 0.00 1.31 0.00 0.00 55.95 56.40 1vak s SER 80 Cb -0.01 -0.76 0.08 0.00 0.21 0.00 0.00 66.02 65.55 1vak s SER 80 CO 0.03 0.12 0.72 -0.70 0.41 0.00 0.00 173.24 173.81 1vak s GLU 81 N -2.69 1.08 0.18 12.44 2.12 -0.30 -4.98 118.70 126.55 1vak s GLU 81 Ca 0.24 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 1vak s GLU 81 Cb -0.09 0.50 -0.08 0.00 0.26 0.00 0.00 34.13 34.71 1vak s GLU 81 CO 0.15 -0.45 1.25 -1.17 -0.54 0.00 0.00 175.26 174.50 1vak s LEU 82 N -2.35 4.43 -0.13 2.70 2.96 -1.26 -0.64 118.68 124.39 1vak s LEU 82 Ca 0.00 2.30 -0.01 0.00 -0.22 0.00 0.00 54.13 56.19 1vak s LEU 82 Cb -0.01 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1vak s LEU 82 CO -0.08 -0.45 -0.13 -0.24 -1.32 0.00 0.00 176.35 174.14 1vak n SER 83 N 2.65 2.39 -3.54 3.68 2.88 0.70 -4.62 113.62 117.76 1vak n SER 83 Ca 0.05 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.42 1vak n SER 83 Cb 0.44 -0.25 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 1vak n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vak s ALA 84 N -2.25 -1.71 0.09 -1.46 0.00 -0.71 -4.90 121.76 110.84 1vak s ALA 84 Ca -0.17 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1vak s ALA 84 Cb 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 1vak s ALA 84 CO 0.27 -0.36 0.52 -1.21 0.00 0.00 0.00 175.76 174.98 1vak s GLU 85 N -1.12 4.01 -0.04 0.00 0.41 -1.26 -0.67 118.70 120.03 1vak s GLU 85 Ca -0.11 0.52 0.07 0.00 -0.41 0.00 0.00 54.97 55.04 1vak s GLU 85 Cb -0.01 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 29.26 1vak s GLU 85 CO 0.09 0.57 -0.24 0.42 -0.49 0.00 0.00 175.26 175.61 1vak s ILE 86 N -1.29 1.90 0.08 -1.63 -1.09 0.11 -4.91 121.20 114.37 1vak s ILE 86 Ca 0.32 -1.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1vak s ILE 86 Cb -0.16 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.09 1vak s ILE 86 CO 0.18 0.53 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.51 1vak s GLY 87 N -0.34 0.72 0.06 6.18 0.00 -1.26 -0.58 107.32 112.09 1vak s GLY 87 Ca 0.03 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 43.74 1vak s GLY 87 CO 0.01 -1.16 -0.22 -1.34 0.00 0.00 0.00 173.10 170.39 1vak s VAL 88 N -2.37 1.79 0.40 1.40 -7.23 -0.07 -4.78 120.40 109.53 1vak s VAL 88 Ca 0.02 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1vak s VAL 88 Cb -0.03 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 1vak s VAL 88 CO -0.01 0.20 0.14 0.42 -0.31 0.00 0.00 175.10 175.53 1vak s THR 89 N -0.86 0.56 -1.33 5.32 -4.23 -1.26 -1.36 115.64 112.48 1vak s THR 89 Ca 0.08 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.88 1vak s THR 89 Cb -0.09 -2.37 0.32 0.00 1.34 0.00 0.00 72.50 71.70 1vak s THR 89 CO 0.02 0.00 1.81 -0.90 -0.54 0.00 0.00 174.62 175.01 1vak n ASP 90 N -1.31 0.31 -4.46 3.99 5.68 0.88 -0.66 116.55 120.98 1vak n ASP 90 Ca -0.05 -0.19 -0.31 0.00 -0.50 0.00 0.00 54.79 53.74 1vak n ASP 90 Cb 0.65 -0.14 -0.13 0.00 -1.14 0.00 0.00 41.12 40.36 1vak n ASP 90 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1vak s SER 91 N -2.72 3.86 0.40 -1.12 0.15 -1.26 -4.40 113.70 108.60 1vak s SER 91 Ca 0.21 -0.36 -0.27 0.00 0.70 0.00 0.00 55.95 56.23 1vak s SER 91 Cb 0.19 -0.68 -0.10 0.00 -1.71 0.00 0.00 66.02 63.73 1vak s SER 91 CO 0.53 0.28 1.42 -0.51 1.20 0.00 0.00 173.24 176.16 1vak s ILE 92 N -0.87 2.23 -0.12 6.45 2.07 -1.26 -4.62 121.20 125.07 1vak s ILE 92 Ca 0.14 0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 59.58 1vak s ILE 92 Cb -0.11 -3.13 0.04 0.00 0.13 0.00 0.00 42.46 39.39 1vak s ILE 92 CO 0.04 0.04 0.01 -0.69 -1.91 0.00 0.00 174.94 172.43 1vak s VAL 93 N -1.17 0.46 -0.11 4.00 1.01 -0.56 -4.97 120.40 119.07 1vak s VAL 93 Ca 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1vak s VAL 93 Cb -0.44 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1vak s VAL 93 CO 0.58 0.09 0.03 -0.69 0.00 0.00 0.00 175.10 175.11 1vak s VAL 94 N 1.92 4.53 0.18 2.92 1.01 -1.26 -1.81 120.40 127.89 1vak s VAL 94 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1vak s VAL 94 Cb -0.14 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1vak s VAL 94 CO -0.06 0.59 0.21 -0.94 0.00 0.00 0.00 175.10 174.89 1vak s SER 95 N -0.70 0.12 0.05 3.32 1.04 0.36 -4.99 113.70 112.90 1vak s SER 95 Ca 0.11 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.31 1vak s SER 95 Cb -0.12 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1vak s SER 95 CO 0.02 -0.88 0.21 -0.94 0.98 0.00 0.00 173.24 172.64 1vak s SER 96 N -3.06 0.01 -0.00 7.02 1.04 -1.26 0.34 113.70 117.79 1vak s SER 96 Ca 0.27 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1vak s SER 96 Cb 0.05 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 1vak s SER 96 CO 0.06 -0.59 -0.04 -0.70 0.98 0.00 0.00 173.24 172.95 1vak s GLU 97 N -2.71 0.35 0.46 4.02 2.56 -0.35 -4.94 118.70 118.08 1vak s GLU 97 Ca -0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 54.97 54.56 1vak s GLU 97 Cb -0.00 -0.35 -0.08 0.00 2.00 0.00 0.00 34.13 35.70 1vak s GLU 97 CO -0.05 0.08 1.11 -0.51 -0.56 0.00 0.00 175.26 175.33 1vak s LEU 98 N -0.05 3.98 -1.06 2.70 1.43 -1.26 -0.28 118.68 124.14 1vak s LEU 98 Ca 0.01 2.15 -0.03 0.00 -1.03 0.00 0.00 54.13 55.23 1vak s LEU 98 Cb -0.02 -4.33 0.31 0.00 0.03 0.00 0.00 46.19 42.18 1vak s LEU 98 CO -0.00 -0.82 1.56 0.52 0.23 0.00 0.00 176.35 177.84 1vak n VAL 99 N -0.57 5.50 -4.11 -1.59 0.31 0.47 -4.49 118.33 113.87 1vak n VAL 99 Ca 0.08 -5.95 -0.15 0.00 -0.01 0.00 0.00 64.34 58.31 1vak n VAL 99 Cb 0.50 -1.94 -0.12 0.00 -0.91 0.00 0.00 33.84 31.37 1vak n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vak s MET 100 N -3.19 0.65 0.23 5.55 0.23 -1.26 -4.58 119.30 116.92 1vak s MET 100 Ca 0.33 -0.85 -0.10 0.00 -1.03 0.00 0.00 55.69 54.05 1vak s MET 100 Cb 0.09 -0.50 0.34 0.00 -1.53 0.00 0.00 34.83 33.23 1vak s MET 100 CO 0.05 0.10 1.35 -2.30 -2.03 0.00 0.00 175.02 172.18 1vak n PRO 101 N 1.36 -0.12 -0.28 3.16 -0.02 -1.26 -0.78 135.00 137.06 1vak n PRO 101 Ca -0.22 1.34 0.06 0.00 -2.02 0.00 0.00 63.50 62.66 1vak n PRO 101 Cb 0.55 -2.00 0.28 0.00 -0.02 0.00 0.00 33.50 32.30 1vak n PRO 101 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1vak h TYR 102 N 0.00 0.96 0.00 6.00 3.20 -1.87 -3.16 116.97 122.10 1vak h TYR 102 Ca 0.38 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1vak h TYR 102 Cb 0.59 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1vak h TYR 102 CO -0.70 0.48 -1.26 0.25 -1.64 0.00 0.00 178.16 175.29 1vak n THR 103 N -4.51 0.04 -0.24 1.81 -2.24 0.04 -4.42 114.28 104.76 1vak n THR 103 Ca 0.14 -0.19 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1vak n THR 103 Cb 0.25 0.54 0.07 0.00 -2.10 0.00 0.00 70.33 69.10 1vak n THR 103 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1vak h VAL 104 N 0.00 1.26 -1.99 2.28 -1.51 -1.37 -3.47 116.25 111.44 1vak h VAL 104 Ca 0.00 -0.93 0.20 0.00 -1.23 0.00 0.00 66.70 64.74 1vak h VAL 104 Cb 0.68 0.51 -0.13 0.00 -2.13 0.00 0.00 31.29 30.23 1vak h VAL 104 CO 0.00 0.36 0.61 -0.83 -1.23 0.00 0.00 177.57 176.48 1vak s GLY 105 N -3.47 -0.35 0.23 5.19 0.00 -1.26 -4.33 107.32 103.33 1vak s GLY 105 Ca -0.12 0.74 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1vak s GLY 105 CO 0.84 0.21 1.72 -0.91 0.00 0.00 0.00 173.10 174.96 1vak h THR 106 N 2.00 1.25 0.51 0.90 1.35 -1.88 -2.11 112.91 114.94 1vak h THR 106 Ca -0.22 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.55 1vak h THR 106 Cb 1.22 0.85 0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1vak h THR 106 CO 0.27 0.38 -0.25 -0.25 -0.25 0.00 0.00 175.52 175.42 1vak h TRP 107 N 0.82 -0.64 -0.59 4.73 7.01 -1.96 -2.70 115.95 122.63 1vak h TRP 107 Ca 0.15 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.23 1vak h TRP 107 Cb 0.49 0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.73 1vak h TRP 107 CO 0.03 -0.40 0.40 1.25 -2.79 0.00 0.00 178.44 176.93 1vak h LEU 108 N -0.76 0.37 -0.30 0.65 5.85 -1.87 -1.55 115.31 117.70 1vak h LEU 108 Ca -0.07 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1vak h LEU 108 Cb 0.53 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1vak h LEU 108 CO 0.12 0.22 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.34 1vak h ARG 109 N 0.41 0.08 -0.39 1.25 2.43 -1.30 0.47 114.38 117.33 1vak h ARG 109 Ca 0.27 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1vak h ARG 109 Cb 0.52 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1vak h ARG 109 CO -0.07 0.05 -0.28 0.78 -1.51 0.00 0.00 179.97 178.93 1vak h GLY 110 N 0.08 0.91 0.52 2.80 0.00 -0.97 -3.10 103.07 103.32 1vak h GLY 110 Ca 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1vak h GLY 110 CO -0.25 0.76 -0.25 -2.08 0.00 0.00 0.00 176.54 174.72 1vak h VAL 111 N 0.71 0.00 -0.40 4.60 2.07 -0.96 -3.28 116.25 119.00 1vak h VAL 111 Ca 0.08 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1vak h VAL 111 Cb 0.83 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1vak h VAL 111 CO 0.07 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.08 1vak h ALA 112 N -1.39 2.11 0.00 1.67 0.00 -1.04 -1.57 119.26 119.04 1vak h ALA 112 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vak h ALA 112 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vak h ALA 112 CO 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.74 1vak h ALA 113 N 1.53 1.00 -0.00 0.00 0.00 -1.60 -1.01 119.26 119.19 1vak h ALA 113 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vak h ALA 113 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1vak h ALA 113 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1vak n ASN 114 N -3.03 0.16 -4.25 0.00 3.02 -0.59 -4.29 115.26 106.28 1vak n ASN 114 Ca -0.03 -1.10 -0.23 0.00 -0.03 0.00 0.00 54.58 53.19 1vak n ASN 114 Cb 0.07 -0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.11 1vak n ASN 114 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1vak s TRP 115 N -2.00 1.65 0.00 3.10 0.51 -0.38 -0.87 118.94 120.96 1vak s TRP 115 Ca 0.45 -0.41 -0.23 0.00 -2.12 0.00 0.00 56.10 53.79 1vak s TRP 115 Cb 0.21 -0.93 -0.18 0.00 -0.81 0.00 0.00 33.47 31.76 1vak s TRP 115 CO 0.35 0.14 1.25 0.77 -0.51 0.00 0.00 176.95 178.95 1vak h SER 116 N 4.35 0.24 -4.01 2.95 0.02 0.28 -3.43 113.55 113.96 1vak h SER 116 Ca -0.44 -0.55 -0.41 0.00 -0.84 0.00 0.00 61.79 59.55 1vak h SER 116 Cb 1.18 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 63.51 1vak h SER 116 CO 0.41 0.74 -0.60 -0.54 -1.14 0.00 0.00 176.83 175.70 1vak s LYS 117 N -4.02 1.54 0.29 3.45 1.02 -1.10 -1.27 119.74 119.64 1vak s LYS 117 Ca -0.15 -1.85 -0.13 0.00 0.02 0.00 0.00 55.97 53.86 1vak s LYS 117 Cb 0.03 -0.48 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 1vak s LYS 117 CO 0.73 -0.28 0.56 1.52 -0.92 0.00 0.00 175.35 176.95 1vak s TYR 118 N -3.56 0.36 -0.08 3.18 -0.85 0.22 -1.61 117.35 115.01 1vak s TYR 118 Ca 0.36 -0.75 -0.08 0.00 -0.52 0.00 0.00 57.07 56.08 1vak s TYR 118 Cb 0.08 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.75 1vak s TYR 118 CO 0.15 -1.13 0.22 0.45 -1.52 0.00 0.00 175.55 173.72 1vak s SER 119 N -3.04 -0.22 -0.37 -0.18 0.15 0.04 -0.69 113.70 109.39 1vak s SER 119 Ca 0.21 0.40 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 1vak s SER 119 Cb -0.02 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1vak s SER 119 CO 0.11 -0.11 0.65 0.26 1.20 0.00 0.00 173.24 175.34 1vak s TRP 120 N -0.04 3.13 0.01 3.44 0.23 -1.26 -0.98 118.94 123.46 1vak s TRP 120 Ca -0.02 0.28 0.11 0.00 -2.03 0.00 0.00 56.10 54.45 1vak s TRP 120 Cb -0.02 -3.20 -0.19 0.00 0.03 0.00 0.00 33.47 30.08 1vak s TRP 120 CO 0.01 -0.68 0.99 -0.07 0.96 0.00 0.00 176.95 178.15 1vak h LEU 121 N 9.47 0.00 -7.00 2.99 3.38 -1.17 -3.47 115.31 119.52 1vak h LEU 121 Ca -0.26 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1vak h LEU 121 Cb 1.11 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.61 1vak h LEU 121 CO 0.85 0.92 0.25 -0.55 0.09 0.00 0.00 178.44 180.00 1vak s SER 122 N -6.34 -0.67 -0.05 -0.43 0.15 -0.94 -4.95 113.70 100.48 1vak s SER 122 Ca -0.02 1.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.74 1vak s SER 122 Cb 0.09 1.24 0.03 0.00 -1.71 0.00 0.00 66.02 65.67 1vak s SER 122 CO 0.82 -0.18 0.08 -0.69 1.20 0.00 0.00 173.24 174.46 1vak s VAL 123 N 1.14 -0.13 -0.03 4.45 1.01 -1.26 -0.26 120.40 125.33 1vak s VAL 123 Ca -0.06 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1vak s VAL 123 Cb -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1vak s VAL 123 CO -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 175.10 175.11 1vak s ARG 124 N 1.98 0.37 -0.23 2.72 1.70 0.45 -1.56 118.95 124.38 1vak s ARG 124 Ca 0.02 0.01 -0.09 0.00 -0.47 0.00 0.00 55.73 55.19 1vak s ARG 124 Cb -0.12 -0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 33.73 1vak s ARG 124 CO -0.04 -0.08 0.13 0.71 -1.08 0.00 0.00 175.30 174.94 1vak s TYR 125 N 0.77 3.27 -0.05 5.89 1.51 -0.56 -0.54 117.35 127.63 1vak s TYR 125 Ca -0.08 0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.11 1vak s TYR 125 Cb -0.11 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.52 1vak s TYR 125 CO -0.01 0.02 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.26 1vak s THR 126 N 1.00 1.00 -0.08 -0.71 -1.32 -0.06 -1.15 115.64 114.31 1vak s THR 126 Ca 0.06 -0.42 -0.20 0.00 -1.21 0.00 0.00 61.69 59.93 1vak s THR 126 Cb -0.14 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1vak s THR 126 CO 0.04 0.32 0.56 -0.47 -2.21 0.00 0.00 174.62 172.86 1vak s TYR 127 N 0.58 3.56 -0.12 9.09 5.04 -0.22 -0.79 117.35 134.49 1vak s TYR 127 Ca -0.11 1.05 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 1vak s TYR 127 Cb -0.14 -2.63 0.01 0.00 0.35 0.00 0.00 41.96 39.55 1vak s TYR 127 CO 0.02 0.18 -0.18 0.42 -1.34 0.00 0.00 175.55 174.66 1vak s ILE 128 N 0.51 1.72 0.71 3.14 -1.09 0.07 -4.52 121.20 121.74 1vak s ILE 128 Ca 0.30 -0.77 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 1vak s ILE 128 Cb -0.16 -1.55 0.02 0.00 -1.58 0.00 0.00 42.46 39.19 1vak s ILE 128 CO 0.14 0.48 1.07 -2.16 -1.23 0.00 0.00 174.94 173.24 1vak s PRO 129 N 0.95 2.83 0.00 2.79 0.04 -1.26 -1.16 135.00 139.19 1vak s PRO 129 Ca -0.06 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1vak s PRO 129 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1vak s PRO 129 CO -0.02 -1.15 0.57 -1.13 0.04 0.00 0.00 177.00 175.30 1vak n SER 130 N -3.15 0.00 -4.80 6.66 3.41 0.28 -4.87 113.62 111.15 1vak n SER 130 Ca 0.07 -1.31 -0.27 0.00 -0.26 0.00 0.00 58.87 57.10 1vak n SER 130 Cb 0.54 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1vak n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vak s PRO 132 N -4.03 2.99 0.22 0.00 0.02 -1.26 -4.91 135.00 128.03 1vak s PRO 132 Ca 0.32 1.12 0.19 0.00 0.02 0.00 0.00 61.00 62.65 1vak s PRO 132 Cb 0.01 -1.99 0.91 0.00 0.02 0.00 0.00 34.50 33.45 1vak s PRO 132 CO 0.18 -1.07 1.59 -1.13 -0.33 0.00 0.00 177.00 176.25 1vak n SER 133 N -2.69 0.49 -0.31 2.53 3.41 -1.26 -1.55 113.62 114.25 1vak n SER 133 Ca 0.08 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 1vak n SER 133 Cb 0.53 -0.75 0.47 0.00 -0.26 0.00 0.00 64.21 64.20 1vak n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1vak n SER 134 N -2.09 1.10 -4.69 4.04 3.41 -1.26 -4.92 113.62 109.22 1vak n SER 134 Ca 0.01 -1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 1vak n SER 134 Cb 0.13 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1vak n SER 134 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vak s THR 135 N -2.32 3.59 0.33 6.66 2.01 -0.59 -5.01 115.64 120.32 1vak s THR 135 Ca 0.30 0.99 -0.24 0.00 0.31 0.00 0.00 61.69 63.05 1vak s THR 135 Cb 0.20 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1vak s THR 135 CO 0.45 -0.00 0.90 0.00 -0.69 0.00 0.00 174.62 175.28 1vak s ALA 136 N 2.41 3.21 0.00 7.40 0.00 -1.26 -4.66 121.76 128.86 1vak s ALA 136 Ca 0.65 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1vak s ALA 136 Cb -0.33 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1vak s ALA 136 CO 0.27 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.64 1vak n GLY 137 N 0.30 4.01 3.04 0.00 0.00 -0.62 -4.31 105.19 107.60 1vak n GLY 137 Ca 0.02 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 1vak n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vak s SER 138 N 0.00 0.22 0.08 1.61 1.04 -0.11 -0.91 113.70 115.63 1vak s SER 138 Ca 0.00 -0.51 0.09 0.00 0.48 0.00 0.00 55.95 56.01 1vak s SER 138 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1vak s SER 138 CO 0.00 -0.38 -0.22 -0.51 0.98 0.00 0.00 173.24 173.11 1vak s ILE 139 N -1.91 2.54 -0.02 -1.02 -1.16 -0.00 -2.73 121.20 116.89 1vak s ILE 139 Ca -0.11 -1.43 0.01 0.00 -0.51 0.00 0.00 60.65 58.60 1vak s ILE 139 Cb -0.06 -2.09 0.01 0.00 0.61 0.00 0.00 42.46 40.93 1vak s ILE 139 CO -0.02 0.23 -0.02 -1.00 -2.81 0.00 0.00 174.94 171.32 1vak s HIS 140 N -0.98 0.37 0.03 3.50 3.76 0.16 -2.30 115.29 119.83 1vak s HIS 140 Ca 0.15 -0.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1vak s HIS 140 Cb -0.10 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.23 1vak s HIS 140 CO 0.06 -0.07 -0.05 -1.64 -0.85 0.00 0.00 174.74 172.19 1vak s MET 141 N 0.43 0.41 0.16 1.40 -1.94 -0.75 -0.83 119.30 118.17 1vak s MET 141 Ca -0.04 -0.67 -0.25 0.00 -1.71 0.00 0.00 55.69 53.03 1vak s MET 141 Cb -0.07 -0.08 0.06 0.00 2.01 0.00 0.00 34.83 36.75 1vak s MET 141 CO -0.01 -0.00 0.96 0.20 -0.01 0.00 0.00 175.02 176.16 1vak s GLY 142 N -1.48 -0.19 0.12 -0.03 0.00 -0.75 -1.14 107.32 103.84 1vak s GLY 142 Ca -0.13 0.06 0.08 0.00 0.00 0.00 0.00 44.72 44.74 1vak s GLY 142 CO -0.00 0.15 -0.15 -1.36 0.00 0.00 0.00 173.10 171.74 1vak s PHE 143 N -3.20 2.60 0.08 1.90 0.40 -0.77 -0.46 117.98 118.53 1vak s PHE 143 Ca 0.13 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1vak s PHE 143 Cb -0.02 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1vak s PHE 143 CO 0.03 0.42 -0.13 -0.65 0.70 0.00 0.00 175.22 175.58 1vak s GLN 144 N -2.27 0.84 0.00 0.44 -0.21 -0.68 -3.98 119.66 113.79 1vak s GLN 144 Ca 0.20 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.57 1vak s GLN 144 Cb -0.10 -0.77 0.00 0.00 1.00 0.00 0.00 33.01 33.14 1vak s GLN 144 CO 0.12 0.16 0.00 0.66 -2.12 0.00 0.00 175.29 174.11 1vak n TYR 145 N 1.08 0.00 -3.76 0.91 4.02 -1.26 -1.49 117.16 116.66 1vak n TYR 145 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.33 1vak n TYR 145 Cb 0.55 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.76 1vak n TYR 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1vak s ASP 146 N -1.26 5.24 0.56 7.72 2.15 -1.26 -4.74 116.67 125.08 1vak s ASP 146 Ca 0.00 -2.23 0.18 0.00 0.43 0.00 0.00 52.55 50.93 1vak s ASP 146 Cb 0.00 -1.83 1.00 0.00 -0.30 0.00 0.00 42.92 41.79 1vak s ASP 146 CO 0.00 -0.50 1.52 0.24 -0.17 0.00 0.00 175.17 176.26 1vak h MET 147 N 7.80 0.00 0.00 4.34 2.86 -1.90 0.79 114.93 128.81 1vak h MET 147 Ca -0.10 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1vak h MET 147 Cb 1.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1vak h MET 147 CO 0.70 0.00 -0.40 0.00 1.06 0.00 0.00 176.91 178.27 1vak h ALA 148 N 0.98 0.87 -2.98 6.32 0.00 -1.92 -3.45 119.26 119.08 1vak h ALA 148 Ca 0.00 -0.37 -0.54 0.00 0.00 0.00 0.00 54.91 54.00 1vak h ALA 148 Cb 0.94 -0.06 0.12 0.00 0.00 0.00 0.00 17.79 18.79 1vak h ALA 148 CO 0.00 0.50 0.62 -0.51 0.00 0.00 0.00 179.25 179.86 1vak s ASP 149 N -6.40 5.55 0.36 0.00 -0.00 0.27 -4.96 116.67 111.49 1vak s ASP 149 Ca 0.02 2.76 -0.25 0.00 -0.00 0.00 0.00 52.55 55.08 1vak s ASP 149 Cb 0.09 -2.64 -0.10 0.00 -0.00 0.00 0.00 42.92 40.28 1vak s ASP 149 CO 0.70 -1.38 0.98 0.28 -0.00 0.00 0.00 175.17 175.75 1vak s THR 150 N -1.30 4.05 0.27 -1.27 -1.32 -1.26 -5.01 115.64 109.81 1vak s THR 150 Ca 0.68 1.60 -0.29 0.00 -1.21 0.00 0.00 61.69 62.46 1vak s THR 150 Cb -0.40 -3.84 -0.09 0.00 -1.51 0.00 0.00 72.50 66.66 1vak s THR 150 CO 0.49 0.03 1.18 -0.69 -2.21 0.00 0.00 174.62 173.42 1vak s VAL 151 N -1.70 3.28 0.63 5.08 1.01 -1.26 -4.99 120.40 122.45 1vak s VAL 151 Ca 0.54 1.23 -0.17 0.00 0.00 0.00 0.00 61.98 63.58 1vak s VAL 151 Cb -0.19 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1vak s VAL 151 CO 0.24 0.27 0.73 -2.65 0.00 0.00 0.00 175.10 173.69 1vak n PRO 152 N 1.43 0.59 0.00 2.72 -0.02 -1.26 -4.93 135.00 133.53 1vak n PRO 152 Ca 0.01 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1vak n PRO 152 Cb 0.44 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1vak n PRO 152 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1vak n VAL 153 N -1.97 0.00 -3.93 -1.45 0.24 -1.26 -4.94 118.33 105.02 1vak n VAL 153 Ca 0.12 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 1vak n VAL 153 Cb 0.48 1.08 -0.09 0.00 -1.47 0.00 0.00 33.84 33.84 1vak n VAL 153 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1vak s SER 154 N -0.32 0.18 0.24 -1.34 1.04 -1.26 -5.00 113.70 107.25 1vak s SER 154 Ca 0.00 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.83 1vak s SER 154 Cb 0.00 0.23 0.37 0.00 0.10 0.00 0.00 66.02 66.73 1vak s SER 154 CO 0.00 -0.53 1.83 0.58 0.98 0.00 0.00 173.24 176.10 1vak h VAL 155 N 3.58 0.97 0.08 5.02 2.07 -1.98 -0.49 116.25 125.50 1vak h VAL 155 Ca -0.33 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1vak h VAL 155 Cb 1.18 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1vak h VAL 155 CO 0.51 0.16 -0.46 -1.13 0.02 0.00 0.00 177.57 176.67 1vak h ASN 156 N 0.88 -1.38 -0.55 0.57 -0.00 -1.99 0.28 115.58 113.38 1vak h ASN 156 Ca 0.39 0.16 0.03 0.00 -0.00 0.00 0.00 56.30 56.88 1vak h ASN 156 Cb 0.28 0.52 -0.04 0.00 -0.00 0.00 0.00 38.32 39.08 1vak h ASN 156 CO -0.21 -0.51 0.32 1.56 -0.00 0.00 0.00 177.43 178.59 1vak h GLN 157 N -0.67 0.61 -0.57 6.67 4.20 -1.84 -2.37 115.11 121.14 1vak h GLN 157 Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1vak h GLN 157 Cb 0.70 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1vak h GLN 157 CO -0.29 0.40 0.37 1.25 -0.67 0.00 0.00 178.83 179.89 1vak h LEU 158 N 0.63 0.67 -1.99 1.46 6.46 -0.41 -2.09 115.31 120.04 1vak h LEU 158 Ca 0.23 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1vak h LEU 158 Cb 0.06 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1vak h LEU 158 CO -0.12 0.50 0.00 0.77 -0.62 0.00 0.00 178.44 178.97 1vak h SER 159 N 0.78 0.00 1.59 1.25 4.64 0.09 -1.90 113.55 120.00 1vak h SER 159 Ca 0.21 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1vak h SER 159 Cb -0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1vak h SER 159 CO -0.04 0.00 -0.35 0.78 -0.87 0.00 0.00 176.83 176.34 1vak h ASN 160 N 0.00 0.00 -4.25 4.97 -0.26 -1.41 -3.46 115.58 111.18 1vak h ASN 160 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 1vak h ASN 160 Cb 0.11 0.00 0.19 0.00 -1.06 0.00 0.00 38.32 37.56 1vak h ASN 160 CO 0.00 0.35 0.27 -0.76 -1.06 0.00 0.00 177.43 176.23 1vak s LEU 161 N -6.41 2.95 0.17 1.61 1.43 -0.72 -4.96 118.68 112.75 1vak s LEU 161 Ca 0.05 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 1vak s LEU 161 Cb 0.07 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.63 1vak s LEU 161 CO 0.72 -2.95 1.30 -0.60 0.23 0.00 0.00 176.35 175.05 1vak s ARG 162 N -4.48 4.39 -0.75 1.70 3.00 -1.26 -2.92 118.95 118.64 1vak s ARG 162 Ca 0.69 2.02 0.00 0.00 -1.00 0.00 0.00 55.73 57.43 1vak s ARG 162 Cb -0.25 -3.22 0.00 0.00 0.00 0.00 0.00 34.95 31.48 1vak s ARG 162 CO 0.55 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.99 1vak n GLY 163 N 2.63 0.84 3.74 8.12 0.00 -1.26 -1.85 105.19 117.41 1vak n GLY 163 Ca 0.07 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1vak n GLY 163 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vak s TYR 164 N -2.28 2.86 0.03 1.61 5.04 -1.15 -4.45 117.35 119.02 1vak s TYR 164 Ca 0.00 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 55.35 1vak s TYR 164 Cb 0.00 -4.03 -0.02 0.00 0.35 0.00 0.00 41.96 38.26 1vak s TYR 164 CO 0.00 -3.58 -0.05 0.14 -1.34 0.00 0.00 175.55 170.72 1vak s VAL 165 N 0.37 0.33 -0.03 3.14 -7.23 -0.30 -4.99 120.40 111.69 1vak s VAL 165 Ca 0.66 -0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1vak s VAL 165 Cb -0.47 -0.44 0.01 0.00 0.56 0.00 0.00 36.38 36.05 1vak s VAL 165 CO 0.42 -0.44 0.20 -0.55 -0.31 0.00 0.00 175.10 174.42 1vak s SER 166 N -1.52 -0.11 -0.08 4.85 0.15 -1.26 -1.82 113.70 113.91 1vak s SER 166 Ca -0.13 0.11 -0.32 0.00 0.70 0.00 0.00 55.95 56.31 1vak s SER 166 Cb -0.10 0.32 0.12 0.00 -1.71 0.00 0.00 66.02 64.65 1vak s SER 166 CO -0.00 -0.26 1.15 -0.83 1.20 0.00 0.00 173.24 174.50 1vak s GLY 167 N -0.74 -0.35 0.37 9.45 0.00 -0.97 -4.98 107.32 110.10 1vak s GLY 167 Ca -0.08 1.12 -0.28 0.00 0.00 0.00 0.00 44.72 45.48 1vak s GLY 167 CO 0.01 0.34 1.36 1.20 0.00 0.00 0.00 173.10 176.02 1vak s GLN 168 N -2.63 4.13 0.45 2.90 -0.21 -1.26 -0.82 119.66 122.22 1vak s GLN 168 Ca 0.10 2.32 0.25 0.00 0.02 0.00 0.00 55.36 58.04 1vak s GLN 168 Cb 0.00 -2.93 1.34 0.00 1.00 0.00 0.00 33.01 32.43 1vak s GLN 168 CO -0.05 -0.41 1.73 -0.24 -2.12 0.00 0.00 175.29 174.20 1vak h VAL 169 N 2.81 0.00 -0.22 1.09 3.04 -1.32 0.04 116.25 121.69 1vak h VAL 169 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1vak h VAL 169 Cb 1.24 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1vak h VAL 169 CO 0.64 0.00 0.00 -2.67 -1.01 0.00 0.00 177.57 174.53 1vak n TRP 170 N -2.46 0.28 -3.20 3.17 4.27 -1.26 -4.67 117.44 113.56 1vak n TRP 170 Ca -0.02 -0.21 -0.19 0.00 -3.89 0.00 0.00 57.50 53.19 1vak n TRP 170 Cb 0.19 -0.01 0.01 0.00 -1.36 0.00 0.00 31.31 30.15 1vak n TRP 170 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1vak s SER 171 N -1.19 5.30 0.00 -0.67 0.15 0.00 -4.79 113.70 112.49 1vak s SER 171 Ca 0.25 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1vak s SER 171 Cb 0.15 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1vak s SER 171 CO 0.21 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1vak n GLY 172 N -1.89 0.74 0.37 9.45 0.00 -1.26 -4.24 105.19 108.36 1vak n GLY 172 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1vak n GLY 172 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vak h SER 173 N 0.00 0.62 0.00 1.61 0.02 -1.87 -0.46 113.55 113.48 1vak h SER 173 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1vak h SER 173 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1vak h SER 173 CO 0.00 0.33 0.11 0.00 -1.14 0.00 0.00 176.83 176.13 1vak h ALA 174 N 1.60 1.11 0.00 3.77 0.00 -1.88 -1.20 119.26 122.66 1vak h ALA 174 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1vak h ALA 174 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vak h ALA 174 CO -0.18 -0.11 0.00 0.78 0.00 0.00 0.00 179.25 179.75 1vak h GLY 175 N 0.00 0.00 0.42 0.00 0.00 -1.37 -2.95 103.07 99.16 1vak h GLY 175 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1vak h GLY 175 CO 0.00 0.00 0.60 -2.00 0.00 0.00 0.00 176.54 175.14 1vak h LEU 176 N 0.00 0.70 -0.88 3.11 5.85 -1.40 -1.82 115.31 120.87 1vak h LEU 176 Ca 0.00 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.92 1vak h LEU 176 Cb 0.32 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.12 1vak h LEU 176 CO 0.00 0.33 -0.35 0.00 -0.34 0.00 0.00 178.44 178.09 1vak h PHE 178 N -0.04 1.03 0.18 0.00 -1.00 -1.57 -2.76 116.94 112.77 1vak h PHE 178 Ca 0.33 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 1vak h PHE 178 Cb 0.60 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1vak h PHE 178 CO -0.78 0.74 -0.08 0.82 -1.61 0.00 0.00 178.31 177.39 1vak h ILE 179 N 1.02 0.93 0.00 -0.55 2.04 -1.16 -2.88 117.51 116.91 1vak h ILE 179 Ca 0.26 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1vak h ILE 179 Cb 0.07 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1vak h ILE 179 CO -0.04 0.13 0.08 -1.13 0.00 0.00 0.00 178.15 177.19 1vak h ASN 180 N -0.51 0.00 0.00 1.72 -1.24 -1.11 -3.44 115.58 111.00 1vak h ASN 180 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1vak h ASN 180 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1vak h ASN 180 CO 0.04 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 1vak n GLY 181 N -1.14 2.97 3.69 1.57 0.00 -1.05 -5.01 105.19 106.23 1vak n GLY 181 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1vak n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vak s THR 182 N -1.69 2.28 -0.09 2.61 -4.23 -1.20 -4.98 115.64 108.35 1vak s THR 182 Ca 0.00 0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.42 1vak s THR 182 Cb 0.00 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 1vak s THR 182 CO 0.00 -0.12 0.48 0.00 -0.54 0.00 0.00 174.62 174.44 1vak s ARG 183 N -4.69 4.28 0.08 3.99 1.70 -1.26 -4.58 118.95 118.47 1vak s ARG 183 Ca 0.66 0.47 -0.06 0.00 -0.47 0.00 0.00 55.73 56.33 1vak s ARG 183 Cb -0.22 -3.39 -0.02 0.00 -0.57 0.00 0.00 34.95 30.75 1vak s ARG 183 CO 0.57 0.26 0.12 0.00 -1.08 0.00 0.00 175.30 175.17 1vak n SER 185 N -0.02 1.80 -3.28 0.00 7.64 -1.26 -4.78 113.62 113.71 1vak n SER 185 Ca -0.13 0.31 -0.25 0.00 1.01 0.00 0.00 58.87 59.80 1vak n SER 185 Cb 0.62 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 1vak n SER 185 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1vak n ASP 186 N -4.23 2.72 0.02 6.43 5.75 -1.26 -4.51 116.55 121.48 1vak n ASP 186 Ca -0.32 -2.36 0.11 0.00 -0.01 0.00 0.00 54.79 52.21 1vak n ASP 186 Cb 0.67 -0.89 0.06 0.00 -1.03 0.00 0.00 41.12 39.92 1vak n ASP 186 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1vak n THR 187 N 5.17 0.12 -0.31 2.12 -1.04 -1.26 -4.54 114.28 114.54 1vak n THR 187 Ca 0.36 -0.16 0.12 0.00 -2.04 0.00 0.00 64.05 62.33 1vak n THR 187 Cb 0.20 0.31 0.24 0.00 -1.82 0.00 0.00 70.33 69.27 1vak n THR 187 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1vak n SER 188 N -1.81 -0.14 0.06 8.00 7.64 -1.26 -0.29 113.62 125.83 1vak n SER 188 Ca 0.03 1.52 0.13 0.00 1.01 0.00 0.00 58.87 61.56 1vak n SER 188 Cb 0.40 -0.54 0.49 0.00 -1.01 0.00 0.00 64.21 63.55 1vak n SER 188 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vak n THR 189 N -5.33 0.40 -1.68 0.44 -2.24 -1.26 -4.91 114.28 99.70 1vak n THR 189 Ca 0.20 -0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.42 1vak n THR 189 Cb 0.65 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 1vak n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vak n ALA 190 N -1.66 1.63 -2.48 6.98 0.00 0.61 -4.09 120.51 121.50 1vak n ALA 190 Ca 0.06 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1vak n ALA 190 Cb 0.37 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1vak n ALA 190 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1vak n ILE 191 N 4.34 4.46 -4.20 0.00 2.08 -1.26 -4.92 119.36 119.85 1vak n ILE 191 Ca 0.19 -4.62 -0.17 0.00 0.56 0.00 0.00 62.75 58.71 1vak n ILE 191 Cb 0.32 -2.34 -0.13 0.00 -0.75 0.00 0.00 39.64 36.75 1vak n ILE 191 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1vak s SER 192 N 0.73 1.24 -0.00 4.38 0.15 -1.26 -1.06 113.70 117.87 1vak s SER 192 Ca 0.39 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1vak s SER 192 Cb 0.08 -0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1vak s SER 192 CO 0.02 -0.06 0.05 0.28 1.20 0.00 0.00 173.24 174.73 1vak s THR 193 N -0.98 0.06 0.13 6.45 -1.32 -0.30 -4.96 115.64 114.72 1vak s THR 193 Ca -0.03 -0.52 0.10 0.00 -1.21 0.00 0.00 61.69 60.04 1vak s THR 193 Cb -0.08 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.62 1vak s THR 193 CO 0.01 -0.28 -0.24 -0.89 -2.21 0.00 0.00 174.62 171.01 1vak s THR 194 N -0.89 2.48 0.31 5.08 2.01 -1.26 -1.50 115.64 121.86 1vak s THR 194 Ca -0.10 -1.68 -0.24 0.00 0.31 0.00 0.00 61.69 59.98 1vak s THR 194 Cb -0.06 -2.11 -0.10 0.00 0.01 0.00 0.00 72.50 70.24 1vak s THR 194 CO 0.00 0.09 0.90 -0.22 -0.69 0.00 0.00 174.62 174.70 1vak s LEU 195 N -2.11 4.32 0.19 4.42 2.96 -0.60 -4.86 118.68 122.99 1vak s LEU 195 Ca 0.16 1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 55.65 1vak s LEU 195 Cb -0.10 -3.96 0.16 0.00 0.50 0.00 0.00 46.19 42.79 1vak s LEU 195 CO 0.08 -0.06 1.63 0.44 -1.32 0.00 0.00 176.35 177.11 1vak h ASP 196 N 3.15 -0.62 0.00 3.68 5.19 -1.97 -3.45 116.42 122.40 1vak h ASP 196 Ca -0.47 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1vak h ASP 196 Cb 1.19 0.37 0.00 0.00 0.18 0.00 0.00 39.33 41.07 1vak h ASP 196 CO 0.65 -0.21 0.00 0.52 -3.12 0.00 0.00 179.24 177.08 1vak n VAL 197 N -5.39 0.00 0.77 -1.35 0.31 -1.26 -4.04 118.33 107.36 1vak n VAL 197 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1vak n VAL 197 Cb 0.30 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.67 1vak n VAL 197 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vak n SER 198 N 1.32 0.51 -0.87 4.52 3.41 -1.26 -3.41 113.62 117.84 1vak n SER 198 Ca 0.00 0.45 0.07 0.00 -0.26 0.00 0.00 58.87 59.13 1vak n SER 198 Cb 0.00 -0.53 0.22 0.00 -0.26 0.00 0.00 64.21 63.65 1vak n SER 198 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vak n LYS 199 N -1.94 3.02 -1.55 4.33 4.01 -1.26 -5.01 118.16 119.77 1vak n LYS 199 Ca 0.06 -2.46 -0.31 0.00 -0.51 0.00 0.00 58.31 55.09 1vak n LYS 199 Cb 0.40 -1.57 0.06 0.00 -0.51 0.00 0.00 35.03 33.40 1vak n LYS 199 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1vak s LEU 200 N -1.78 3.10 0.22 -0.35 1.43 -1.22 -4.94 118.68 115.13 1vak s LEU 200 Ca 0.34 1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 54.92 1vak s LEU 200 Cb 0.23 -4.47 0.26 0.00 0.03 0.00 0.00 46.19 42.24 1vak s LEU 200 CO 0.15 -1.51 1.61 1.23 0.23 0.00 0.00 176.35 178.05 1vak h GLY 201 N -0.77 0.42 -1.82 -3.19 0.00 -1.92 -3.44 103.07 92.34 1vak h GLY 201 Ca -0.44 0.26 -0.42 0.00 0.00 0.00 0.00 47.33 46.73 1vak h GLY 201 CO 0.56 -0.26 -0.38 -1.59 0.00 0.00 0.00 176.54 174.88 1vak s LYS 202 N -6.21 1.85 -0.24 4.80 -2.85 -1.26 -5.10 119.74 110.73 1vak s LYS 202 Ca -0.14 -1.96 -0.16 0.00 -1.00 0.00 0.00 55.97 52.71 1vak s LYS 202 Cb 0.20 0.37 -0.16 0.00 -2.06 0.00 0.00 37.83 36.18 1vak s LYS 202 CO 0.74 -0.72 -0.06 1.17 0.10 0.00 0.00 175.35 176.58 1vak n LYS 203 N -0.62 0.59 -3.44 1.78 4.81 -1.26 -4.89 118.16 115.13 1vak n LYS 203 Ca 0.06 0.39 -0.40 0.00 -0.87 0.00 0.00 58.31 57.48 1vak n LYS 203 Cb 0.62 -1.62 -0.10 0.00 0.02 0.00 0.00 35.03 33.95 1vak n LYS 203 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1vak s TRP 204 N -2.45 3.22 0.14 5.64 0.52 -1.26 -4.27 118.94 120.48 1vak s TRP 204 Ca -0.33 0.00 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1vak s TRP 204 Cb 0.10 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1vak s TRP 204 CO 0.56 -0.37 0.05 0.71 0.02 0.00 0.00 176.95 177.92 1vak s TYR 205 N 1.94 3.01 0.25 -1.98 1.51 0.14 -4.90 117.35 117.32 1vak s TYR 205 Ca 0.11 -0.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.88 1vak s TYR 205 Cb -0.17 -1.48 -0.09 0.00 -0.11 0.00 0.00 41.96 40.11 1vak s TYR 205 CO 0.11 0.51 0.82 -1.25 -1.11 0.00 0.00 175.55 174.63 1vak s PRO 206 N -2.79 4.46 0.01 -1.71 0.04 -1.26 -0.61 135.00 133.13 1vak s PRO 206 Ca 0.28 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1vak s PRO 206 Cb -0.10 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1vak s PRO 206 CO 0.20 0.39 1.39 -0.47 0.04 0.00 0.00 177.00 178.56 1vak s TYR 207 N -1.47 2.88 0.25 0.56 6.14 -0.40 -4.89 117.35 120.43 1vak s TYR 207 Ca 0.44 0.84 0.11 0.00 0.64 0.00 0.00 57.07 59.10 1vak s TYR 207 Cb -0.19 -3.66 -0.05 0.00 0.42 0.00 0.00 41.96 38.49 1vak s TYR 207 CO 0.23 -2.41 -0.20 0.15 0.64 0.00 0.00 175.55 173.97 1vak s LYS 208 N 2.32 1.60 0.16 4.97 -0.14 -1.26 -4.63 119.74 122.75 1vak s LYS 208 Ca 0.64 -1.69 0.07 0.00 -1.36 0.00 0.00 55.97 53.62 1vak s LYS 208 Cb -0.31 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1vak s LYS 208 CO 0.27 0.33 -0.00 0.95 -0.76 0.00 0.00 175.35 176.13 1vak s THR 209 N -2.38 3.77 0.15 2.17 -4.23 -1.26 -4.44 115.64 109.42 1vak s THR 209 Ca 0.27 -1.33 -0.25 0.00 -1.18 0.00 0.00 61.69 59.20 1vak s THR 209 Cb -0.05 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1vak s THR 209 CO 0.13 -0.06 1.60 0.28 -0.54 0.00 0.00 174.62 176.03 1vak h SER 210 N 2.87 -1.13 -0.35 3.99 0.02 -1.99 -0.64 113.55 116.33 1vak h SER 210 Ca -0.47 0.18 0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1vak h SER 210 Cb 1.19 0.50 -0.09 0.00 0.14 0.00 0.00 62.40 64.15 1vak h SER 210 CO 0.58 -0.35 -0.30 0.00 -1.14 0.00 0.00 176.83 175.62 1vak h ALA 211 N 0.53 -0.16 0.05 3.77 0.00 -1.98 0.60 119.26 122.06 1vak h ALA 211 Ca 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1vak h ALA 211 Cb 0.56 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1vak h ALA 211 CO -0.47 -0.71 -0.02 0.22 0.00 0.00 0.00 179.25 178.27 1vak h ASP 212 N -0.26 -0.06 -0.43 0.00 3.58 -1.87 -1.61 116.42 115.77 1vak h ASP 212 Ca 0.16 -0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.64 1vak h ASP 212 Cb 0.52 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 1vak h ASP 212 CO -0.50 -0.01 0.14 0.22 -2.88 0.00 0.00 179.24 176.21 1vak h TYR 213 N -0.10 0.25 -0.41 0.28 3.20 -0.57 -1.70 116.97 117.93 1vak h TYR 213 Ca -0.01 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.96 1vak h TYR 213 Cb 0.08 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 1vak h TYR 213 CO -0.07 0.09 0.01 0.00 -1.64 0.00 0.00 178.16 176.55 1vak h ALA 214 N 1.29 0.38 -0.73 1.82 0.00 0.49 -1.10 119.26 121.41 1vak h ALA 214 Ca 0.20 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vak h ALA 214 Cb 0.20 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1vak h ALA 214 CO -0.22 -0.38 0.45 1.15 0.00 0.00 0.00 179.25 180.25 1vak h THR 215 N 0.12 1.21 0.58 0.00 2.02 -0.81 -0.86 112.91 115.17 1vak h THR 215 Ca 0.20 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1vak h THR 215 Cb 0.28 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1vak h THR 215 CO -0.33 0.21 -0.30 0.00 0.37 0.00 0.00 175.52 175.48 1vak h ALA 216 N 1.24 -0.81 0.00 6.16 0.00 -0.47 -1.81 119.26 123.57 1vak h ALA 216 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vak h ALA 216 Cb -0.05 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vak h ALA 216 CO -0.05 -0.96 0.00 -0.39 0.00 0.00 0.00 179.25 177.85 1vak h VAL 217 N -0.81 0.00 -0.25 0.00 -1.51 -1.16 -0.73 116.25 111.79 1vak h VAL 217 Ca -0.08 -0.17 -0.13 0.00 -1.23 0.00 0.00 66.70 65.10 1vak h VAL 217 Cb 0.63 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1vak h VAL 217 CO 0.12 0.00 -0.37 1.23 -1.23 0.00 0.00 177.57 177.32 1vak h GLY 218 N 1.24 0.62 0.51 5.19 0.00 -0.29 -3.06 103.07 107.28 1vak h GLY 218 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1vak h GLY 218 CO 0.00 0.54 -0.11 -2.08 0.00 0.00 0.00 176.54 174.90 1vak h VAL 219 N 0.48 1.45 -1.61 4.60 2.07 -0.80 -3.46 116.25 118.98 1vak h VAL 219 Ca 0.05 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.16 1vak h VAL 219 Cb 0.86 2.36 -0.26 0.00 -1.52 0.00 0.00 31.29 32.73 1vak h VAL 219 CO 0.07 0.41 0.33 -0.62 0.02 0.00 0.00 177.57 177.78 1vak s ASP 220 N -6.02 -0.58 0.27 0.57 -1.08 -0.96 -5.06 116.67 103.81 1vak s ASP 220 Ca -0.16 0.93 -0.01 0.00 -0.52 0.00 0.00 52.55 52.79 1vak s ASP 220 Cb 0.02 1.22 0.52 0.00 -1.46 0.00 0.00 42.92 43.22 1vak s ASP 220 CO 0.71 -0.15 1.79 0.58 0.52 0.00 0.00 175.17 178.63 1vak h VAL 221 N 4.93 0.82 -0.03 1.11 2.07 -1.82 -1.87 116.25 121.47 1vak h VAL 221 Ca -0.28 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1vak h VAL 221 Cb 1.20 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1vak h VAL 221 CO 0.19 0.14 0.11 0.78 0.02 0.00 0.00 177.57 178.81 1vak h ASN 222 N 0.78 0.00 0.17 0.57 4.21 -1.94 0.10 115.58 119.47 1vak h ASN 222 Ca 0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.98 1vak h ASN 222 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1vak h ASN 222 CO -0.31 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.45 1vak n ILE 223 N -3.20 1.54 0.10 2.81 5.41 -0.70 -2.30 119.36 123.03 1vak n ILE 223 Ca -0.02 0.45 -0.16 0.00 1.00 0.00 0.00 62.75 64.02 1vak n ILE 223 Cb 0.18 -1.39 -0.14 0.00 -0.71 0.00 0.00 39.64 37.59 1vak n ILE 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vak h ALA 224 N 2.14 0.10 -0.70 -1.39 0.00 -0.97 -3.35 119.26 115.08 1vak h ALA 224 Ca 0.00 -0.89 0.17 0.00 0.00 0.00 0.00 54.91 54.19 1vak h ALA 224 Cb 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1vak h ALA 224 CO 0.00 0.98 0.48 1.79 0.00 0.00 0.00 179.25 182.50 1vak h THR 225 N 0.07 0.74 -0.08 0.00 1.35 -1.65 0.45 112.91 113.79 1vak h THR 225 Ca -0.13 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1vak h THR 225 Cb 1.97 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1vak h THR 225 CO 0.20 0.04 0.00 -0.81 -0.25 0.00 0.00 175.52 174.70 1vak n PRO 226 N -4.42 1.56 -0.04 4.72 -0.04 -1.26 -3.94 135.00 131.60 1vak n PRO 226 Ca 0.14 -0.84 -0.01 0.00 -0.04 0.00 0.00 63.50 62.75 1vak n PRO 226 Cb 0.62 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 1vak n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1vak n LEU 227 N 0.04 0.00 -3.80 1.53 4.77 0.15 -4.70 117.00 114.98 1vak n LEU 227 Ca 0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1vak n LEU 227 Cb 0.29 0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1vak n LEU 227 CO 0.14 0.16 -0.23 0.54 -1.33 0.00 0.00 177.39 176.68 1vak s VAL 228 N -2.54 -0.01 0.18 4.08 0.11 -0.50 -4.64 120.40 117.07 1vak s VAL 228 Ca -0.05 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1vak s VAL 228 Cb 0.05 -0.20 -0.06 0.00 -1.53 0.00 0.00 36.38 34.65 1vak s VAL 228 CO 0.50 0.02 1.49 1.55 -3.33 0.00 0.00 175.10 175.33 1vak h PRO 229 N 6.34 0.65 -2.01 1.54 0.13 -1.83 -3.42 132.00 133.40 1vak h PRO 229 Ca -0.30 -0.40 0.25 0.00 -0.87 0.00 0.00 66.00 64.68 1vak h PRO 229 Cb 1.18 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 1vak h PRO 229 CO 0.43 1.01 0.68 0.00 -0.23 0.00 0.00 178.00 179.89 1vak s ALA 230 N -4.06 -1.95 0.06 -0.56 0.00 -1.26 -4.75 121.76 109.24 1vak s ALA 230 Ca -0.08 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1vak s ALA 230 Cb 0.11 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1vak s ALA 230 CO 0.85 -1.06 -0.16 -0.98 0.00 0.00 0.00 175.76 174.41 1vak s ARG 231 N -2.62 0.96 -0.29 0.00 1.70 -0.55 -0.39 118.95 117.74 1vak s ARG 231 Ca 0.16 -0.89 -0.10 0.00 -0.47 0.00 0.00 55.73 54.44 1vak s ARG 231 Cb 0.01 -1.00 -0.02 0.00 -0.57 0.00 0.00 34.95 33.36 1vak s ARG 231 CO 0.00 0.24 0.16 -1.17 -1.08 0.00 0.00 175.30 173.45 1vak s LEU 232 N -1.44 4.00 -0.03 -1.89 2.96 0.61 -1.69 118.68 121.21 1vak s LEU 232 Ca 0.01 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1vak s LEU 232 Cb -0.09 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1vak s LEU 232 CO 0.02 -0.13 0.26 0.68 -1.32 0.00 0.00 176.35 175.86 1vak s VAL 233 N 1.67 5.30 0.03 1.68 -7.23 0.39 -1.22 120.40 121.02 1vak s VAL 233 Ca 0.06 0.31 0.05 0.00 -1.81 0.00 0.00 61.98 60.59 1vak s VAL 233 Cb -0.16 -3.55 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 1vak s VAL 233 CO 0.07 0.47 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.54 1vak s ILE 234 N -1.19 1.28 -0.01 -0.62 1.01 0.15 -1.82 121.20 120.01 1vak s ILE 234 Ca 0.24 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1vak s ILE 234 Cb -0.14 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1vak s ILE 234 CO 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 174.94 175.17 1vak s ALA 235 N -0.75 0.25 -0.06 9.38 0.00 -0.01 -0.49 121.76 130.08 1vak s ALA 235 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1vak s ALA 235 Cb -0.08 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1vak s ALA 235 CO 0.01 0.00 -0.09 -0.51 0.00 0.00 0.00 175.76 175.17 1vak s LEU 236 N 0.39 1.51 0.00 0.00 1.43 -0.75 -0.67 118.68 120.60 1vak s LEU 236 Ca -0.04 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1vak s LEU 236 Cb -0.06 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.47 1vak s LEU 236 CO -0.01 -0.00 0.10 0.00 0.23 0.00 0.00 176.35 176.67 1vak n LEU 237 N 3.94 0.00 -0.50 1.79 -0.00 -1.10 -1.49 117.00 119.63 1vak n LEU 237 Ca -0.23 -0.34 -0.07 0.00 -0.00 0.00 0.00 56.01 55.38 1vak n LEU 237 Cb 0.51 0.49 -0.03 0.00 -0.00 0.00 0.00 43.42 44.39 1vak n LEU 237 CO 0.24 -0.11 -0.06 0.47 -0.00 0.00 0.00 177.39 177.93 1vak n ASP 238 N -1.12 -4.51 -4.78 1.45 8.00 -1.24 -0.94 116.55 113.40 1vak n ASP 238 Ca -0.01 0.16 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1vak n ASP 238 Cb 0.08 -2.59 0.12 0.00 -0.02 0.00 0.00 41.12 38.71 1vak n ASP 238 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1vak s GLY 239 N -2.50 1.59 0.00 0.44 0.00 0.17 -1.60 107.32 105.43 1vak s GLY 239 Ca 0.00 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 44.54 1vak s GLY 239 CO 0.00 0.12 0.97 -1.14 0.00 0.00 0.00 173.10 173.04 1vak n SER 240 N -3.69 0.96 -4.39 1.64 3.41 -1.26 -3.81 113.62 106.49 1vak n SER 240 Ca 0.07 -0.92 -0.24 0.00 -0.26 0.00 0.00 58.87 57.52 1vak n SER 240 Cb 0.58 0.90 -0.11 0.00 -0.26 0.00 0.00 64.21 65.32 1vak n SER 240 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vak s SER 241 N -2.99 3.10 0.03 4.04 0.15 -1.26 -4.87 113.70 111.89 1vak s SER 241 Ca 0.09 -0.89 0.26 0.00 0.70 0.00 0.00 55.95 56.11 1vak s SER 241 Cb 0.16 -0.21 0.75 0.00 -1.71 0.00 0.00 66.02 65.01 1vak s SER 241 CO 0.84 0.03 1.60 -1.54 1.20 0.00 0.00 173.24 175.37 1vak n SER 242 N 0.14 0.37 -4.48 5.45 3.41 -1.26 -0.09 113.62 117.17 1vak n SER 242 Ca -0.12 0.09 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 1vak n SER 242 Cb 0.57 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1vak n SER 242 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vak s THR 243 N -3.03 4.37 0.15 6.66 2.01 -1.26 -4.80 115.64 119.74 1vak s THR 243 Ca 0.11 -0.16 -0.32 0.00 0.31 0.00 0.00 61.69 61.64 1vak s THR 243 Cb 0.17 -3.03 -0.17 0.00 0.01 0.00 0.00 72.50 69.48 1vak s THR 243 CO 0.64 0.36 0.78 0.00 -0.69 0.00 0.00 174.62 175.72 1vak n ALA 244 N 4.64 -2.62 -3.76 7.40 0.00 -1.26 -4.79 120.51 120.12 1vak n ALA 244 Ca -0.16 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 1vak n ALA 244 Cb 0.52 -1.73 -0.16 0.00 0.00 0.00 0.00 19.45 18.07 1vak n ALA 244 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vak s VAL 245 N -0.64 2.16 -0.01 0.00 1.01 -0.46 -4.83 120.40 117.63 1vak s VAL 245 Ca 0.72 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1vak s VAL 245 Cb -0.99 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 1vak s VAL 245 CO 0.56 0.54 1.97 0.00 0.00 0.00 0.00 175.10 178.17 1vak n ALA 246 N 4.23 1.39 -0.11 5.51 0.00 -1.26 -0.90 120.51 129.38 1vak n ALA 246 Ca -0.20 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1vak n ALA 246 Cb 0.51 -2.64 -0.09 0.00 0.00 0.00 0.00 19.45 17.23 1vak n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vak n ALA 247 N 7.52 1.53 0.00 0.00 0.00 0.25 -4.71 120.51 125.11 1vak n ALA 247 Ca 0.21 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1vak n ALA 247 Cb 0.38 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1vak n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vak n GLY 248 N 2.02 -0.72 3.27 0.00 0.00 -1.14 -0.56 105.19 108.07 1vak n GLY 248 Ca -0.41 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1vak n GLY 248 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vak s ARG 249 N -0.30 0.95 -0.22 1.61 1.70 -0.30 0.10 118.95 122.48 1vak s ARG 249 Ca 0.00 -0.75 -0.09 0.00 -0.47 0.00 0.00 55.73 54.43 1vak s ARG 249 Cb 0.00 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1vak s ARG 249 CO 0.00 -0.34 0.11 0.42 -1.08 0.00 0.00 175.30 174.41 1vak s ILE 250 N -3.58 4.95 0.08 4.99 1.01 0.15 -0.75 121.20 128.05 1vak s ILE 250 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1vak s ILE 250 Cb 0.02 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1vak s ILE 250 CO -0.10 0.39 -0.03 -0.31 0.00 0.00 0.00 174.94 174.89 1vak s TYR 251 N 0.88 2.94 -0.16 3.97 1.51 0.03 -0.21 117.35 126.30 1vak s TYR 251 Ca 0.05 -0.04 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1vak s TYR 251 Cb -0.13 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1vak s TYR 251 CO 0.03 0.46 -0.08 0.00 -1.11 0.00 0.00 175.55 174.84 1vak s THR 253 N 0.60 2.79 0.05 0.00 2.01 0.30 -1.15 115.64 120.24 1vak s THR 253 Ca -0.05 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1vak s THR 253 Cb -0.15 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1vak s THR 253 CO 0.03 0.51 0.06 -0.72 -0.69 0.00 0.00 174.62 173.80 1vak s TYR 254 N 0.85 0.33 -0.25 4.92 -0.85 -0.34 -0.41 117.35 121.61 1vak s TYR 254 Ca -0.04 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 55.74 1vak s TYR 254 Cb -0.15 -0.23 0.07 0.00 0.38 0.00 0.00 41.96 42.03 1vak s TYR 254 CO -0.00 -0.41 -0.00 0.99 -1.52 0.00 0.00 175.55 174.61 1vak s THR 255 N -3.43 1.29 0.02 -3.49 2.01 0.65 -1.14 115.64 111.54 1vak s THR 255 Ca 0.02 -1.23 0.07 0.00 0.31 0.00 0.00 61.69 60.86 1vak s THR 255 Cb 0.04 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1vak s THR 255 CO -0.08 -0.27 -0.19 -0.51 -0.69 0.00 0.00 174.62 172.87 1vak s ILE 256 N 1.48 2.68 -0.22 1.82 2.07 0.07 -0.52 121.20 128.58 1vak s ILE 256 Ca -0.01 -1.13 -0.06 0.00 -1.41 0.00 0.00 60.65 58.04 1vak s ILE 256 Cb -0.18 -2.09 -0.03 0.00 0.13 0.00 0.00 42.46 40.29 1vak s ILE 256 CO -0.10 0.41 0.03 -1.10 -1.91 0.00 0.00 174.94 172.27 1vak s GLN 257 N -1.21 3.67 -0.11 3.50 -0.21 -0.15 -1.42 119.66 123.72 1vak s GLN 257 Ca 0.13 -0.49 -0.00 0.00 0.02 0.00 0.00 55.36 55.02 1vak s GLN 257 Cb -0.10 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 1vak s GLN 257 CO 0.03 -0.03 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.43 1vak s MET 258 N 1.15 3.22 0.22 2.91 -1.94 -0.51 -0.78 119.30 123.57 1vak s MET 258 Ca 0.03 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 1vak s MET 258 Cb -0.14 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.99 1vak s MET 258 CO 0.02 0.36 0.02 0.96 -0.01 0.00 0.00 175.02 176.36 1vak s ILE 259 N -0.00 0.86 -0.68 2.53 -4.36 -0.63 -1.60 121.20 117.31 1vak s ILE 259 Ca -0.02 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.28 1vak s ILE 259 Cb -0.14 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1vak s ILE 259 CO 0.04 -0.31 0.65 -0.62 0.24 0.00 0.00 174.94 174.94 1vak n GLU 260 N -0.38 -1.64 -1.09 0.37 1.02 -1.26 -2.17 120.64 115.49 1vak n GLU 260 Ca -0.05 1.36 -0.34 0.00 -0.02 0.00 0.00 57.16 58.11 1vak n GLU 260 Cb 0.64 -4.19 0.10 0.00 -0.02 0.00 0.00 31.44 27.97 1vak n GLU 260 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1vak n PRO 261 N -1.61 0.11 -3.60 3.49 -0.04 -1.26 0.22 135.00 132.31 1vak n PRO 261 Ca -0.09 0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1vak n PRO 261 Cb 0.58 -2.05 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 1vak n PRO 261 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1vak s THR 262 N -2.11 0.05 0.06 0.52 -1.32 -0.05 -4.65 115.64 108.14 1vak s THR 262 Ca 0.66 -0.38 -0.31 0.00 -1.21 0.00 0.00 61.69 60.45 1vak s THR 262 Cb -0.29 -1.03 -0.07 0.00 -1.51 0.00 0.00 72.50 69.60 1vak s THR 262 CO 0.58 -0.21 1.50 0.00 -2.21 0.00 0.00 174.62 174.28 1vak s ALA 263 N -2.97 3.64 0.37 11.08 0.00 -1.26 -4.44 121.76 128.18 1vak s ALA 263 Ca -0.02 1.09 0.12 0.00 0.00 0.00 0.00 51.96 53.14 1vak s ALA 263 Cb 0.00 -3.62 0.90 0.00 0.00 0.00 0.00 23.12 20.40 1vak s ALA 263 CO -0.06 -0.91 1.85 0.66 0.00 0.00 0.00 175.76 177.30 1vak h SER 264 N 7.71 0.58 -0.06 0.00 4.64 -1.87 -1.02 113.55 123.52 1vak h SER 264 Ca -0.41 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1vak h SER 264 Cb 1.19 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1vak h SER 264 CO 0.91 0.26 0.18 0.00 -0.87 0.00 0.00 176.83 177.31 1vak h ALA 265 N 1.61 1.37 0.00 5.18 0.00 -1.89 -1.47 119.26 124.07 1vak h ALA 265 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1vak h ALA 265 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1vak h ALA 265 CO -0.22 -0.21 -0.81 1.28 0.00 0.00 0.00 179.25 179.28 1vak n LEU 266 N -3.24 0.73 -4.60 0.00 4.77 -0.39 -4.90 117.00 109.36 1vak n LEU 266 Ca -0.01 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.32 1vak n LEU 266 Cb 0.26 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1vak n LEU 266 CO 0.20 0.16 1.05 0.21 -1.33 0.00 0.00 177.39 177.68 1vak s ASN 267 N -3.16 6.61 0.00 -1.43 3.84 -0.55 -5.07 114.94 115.18 1vak s ASN 267 Ca 0.08 0.52 0.12 0.00 0.21 0.00 0.00 52.86 53.79 1vak s ASN 267 Cb 0.16 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.41 1vak s ASN 267 CO 0.79 -1.26 0.88 0.59 -2.79 0.00 0.00 177.10 175.30