#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vaf n TYR 78 N 0.00 -0.34 -3.68 3.69 0.18 -1.26 -4.76 117.16 110.98 1vaf n TYR 78 Ca 0.00 -0.28 -0.25 0.00 1.88 0.00 0.00 57.90 59.26 1vaf n TYR 78 Cb 0.00 0.05 -0.17 0.00 -0.38 0.00 0.00 39.34 38.84 1vaf n TYR 78 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1vaf s VAL 79 N -2.33 0.15 0.02 -3.48 1.01 -0.69 -4.94 120.40 110.14 1vaf s VAL 79 Ca 0.04 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1vaf s VAL 79 Cb 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 1vaf s VAL 79 CO 0.03 -0.07 1.60 -0.60 0.00 0.00 0.00 175.10 176.06 1vaf s ARG 80 N 2.04 4.21 -0.12 2.72 3.52 -1.26 -1.10 118.95 128.97 1vaf s ARG 80 Ca 0.02 2.21 0.03 0.00 -0.13 0.00 0.00 55.73 57.87 1vaf s ARG 80 Cb -0.15 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1vaf s ARG 80 CO -0.07 -0.74 -0.23 0.42 -0.81 0.00 0.00 175.30 173.88 1vaf s ILE 81 N 3.05 2.13 0.03 4.11 -1.09 0.11 -4.96 121.20 124.58 1vaf s ILE 81 Ca 0.72 -0.98 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 1vaf s ILE 81 Cb -0.36 -1.83 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1vaf s ILE 81 CO 0.30 0.55 -0.23 -0.75 -1.23 0.00 0.00 174.94 173.59 1vaf s LYS 82 N 0.50 1.98 -0.43 2.79 2.20 -1.26 -0.06 119.74 125.45 1vaf s LYS 82 Ca -0.15 -1.02 -0.05 0.00 -0.36 0.00 0.00 55.97 54.40 1vaf s LYS 82 Cb -0.17 -2.08 0.11 0.00 -1.51 0.00 0.00 37.83 34.19 1vaf s LYS 82 CO 0.05 0.54 0.25 1.21 -0.36 0.00 0.00 175.35 177.04 1vaf s ASN 83 N -1.17 5.39 0.00 1.43 2.47 -0.73 -2.21 114.94 120.11 1vaf s ASN 83 Ca 0.12 -2.02 0.01 0.00 0.42 0.00 0.00 52.86 51.39 1vaf s ASN 83 Cb -0.10 -1.88 0.05 0.00 -1.45 0.00 0.00 41.25 37.87 1vaf s ASN 83 CO 0.02 -0.58 0.30 0.79 -3.72 0.00 0.00 177.10 173.91 1vaf n TRP 84 N 4.65 0.00 -0.09 0.43 7.02 -0.16 0.19 117.44 129.48 1vaf n TRP 84 Ca -0.04 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.33 1vaf n TRP 84 Cb 0.41 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.26 1vaf n TRP 84 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vaf n GLY 85 N -0.33 -0.75 0.01 6.99 0.00 -1.26 -4.52 105.19 105.34 1vaf n GLY 85 Ca 0.01 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1vaf n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vaf n SER 86 N -4.50 0.75 0.00 1.61 3.41 -1.03 -4.95 113.62 108.91 1vaf n SER 86 Ca -0.18 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1vaf n SER 86 Cb 0.48 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1vaf n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vaf n GLY 87 N 1.46 0.55 3.77 5.00 0.00 0.49 -4.98 105.19 111.48 1vaf n GLY 87 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1vaf n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vaf s GLU 88 N -0.44 4.36 0.03 1.61 2.02 -1.22 -4.71 118.70 120.36 1vaf s GLU 88 Ca 0.00 1.71 0.02 0.00 0.02 0.00 0.00 54.97 56.72 1vaf s GLU 88 Cb 0.00 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1vaf s GLU 88 CO 0.00 -0.01 0.03 0.42 0.02 0.00 0.00 175.26 175.72 1vaf s ILE 89 N -1.38 4.33 0.17 -1.63 1.09 -1.26 -1.78 121.20 120.73 1vaf s ILE 89 Ca 0.52 -0.66 0.02 0.00 -1.10 0.00 0.00 60.65 59.43 1vaf s ILE 89 Cb -0.28 -2.99 -0.05 0.00 -1.06 0.00 0.00 42.46 38.08 1vaf s ILE 89 CO 0.36 0.28 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.70 1vaf s LEU 90 N -1.88 2.20 -0.24 2.97 1.43 0.92 -4.96 118.68 119.12 1vaf s LEU 90 Ca 0.23 -1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1vaf s LEU 90 Cb -0.12 -0.12 0.07 0.00 0.03 0.00 0.00 46.19 46.05 1vaf s LEU 90 CO 0.15 -0.53 -0.01 -1.00 0.23 0.00 0.00 176.35 175.19 1vaf s HIS 91 N -3.59 2.02 -0.17 0.29 3.76 -1.26 0.07 115.29 116.41 1vaf s HIS 91 Ca 0.23 -1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 53.28 1vaf s HIS 91 Cb 0.06 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.24 1vaf s HIS 91 CO 0.04 -0.75 1.07 0.34 -0.85 0.00 0.00 174.74 174.59 1vaf s ASP 92 N 1.52 7.12 -0.00 1.40 -1.08 -0.25 -4.64 116.67 120.73 1vaf s ASP 92 Ca -0.02 1.51 0.02 0.00 -0.52 0.00 0.00 52.55 53.53 1vaf s ASP 92 Cb -0.18 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 1vaf s ASP 92 CO -0.09 -0.61 0.04 0.35 0.52 0.00 0.00 175.17 175.39 1vaf n THR 93 N 5.03 0.01 0.16 1.71 -2.24 0.02 -1.70 114.28 117.26 1vaf n THR 93 Ca 0.11 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 1vaf n THR 93 Cb 0.47 0.36 0.53 0.00 -2.10 0.00 0.00 70.33 69.59 1vaf n THR 93 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1vaf h LEU 94 N 0.00 0.17 -0.12 3.22 5.85 -1.63 -2.59 115.31 120.22 1vaf h LEU 94 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1vaf h LEU 94 Cb 0.16 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1vaf h LEU 94 CO 0.00 0.16 0.09 0.00 -0.34 0.00 0.00 178.44 178.35 1vaf n HIS 95 N -4.47 0.06 -0.03 1.25 1.44 -1.26 -0.42 115.22 111.79 1vaf n HIS 95 Ca -0.01 0.03 -0.07 0.00 -2.01 0.00 0.00 57.72 55.66 1vaf n HIS 95 Cb 0.11 -0.47 0.11 0.00 0.12 0.00 0.00 29.99 29.87 1vaf n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1vaf h HIS 96 N 0.00 0.71 0.00 -1.40 3.86 -1.82 -2.48 115.15 114.02 1vaf h HIS 96 Ca 0.00 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1vaf h HIS 96 Cb 0.18 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1vaf h HIS 96 CO 0.00 0.87 0.00 1.63 0.86 0.00 0.00 177.93 181.29 1vaf n LYS 97 N -4.07 0.76 -1.70 2.45 4.01 0.44 -4.86 118.16 115.18 1vaf n LYS 97 Ca -0.01 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.36 1vaf n LYS 97 Cb 0.48 -1.19 -0.03 0.00 -0.51 0.00 0.00 35.03 33.77 1vaf n LYS 97 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1vaf n ALA 98 N -0.69 2.37 -1.00 7.82 0.00 -0.94 -4.89 120.51 123.18 1vaf n ALA 98 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1vaf n ALA 98 Cb 0.03 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1vaf n ALA 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vaf n THR 99 N 3.67 0.00 -1.90 0.00 -2.24 -1.10 -4.95 114.28 107.76 1vaf n THR 99 Ca 0.16 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.64 1vaf n THR 99 Cb 0.33 -0.37 0.20 0.00 -2.10 0.00 0.00 70.33 68.39 1vaf n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vaf s SER 100 N -2.08 2.85 0.42 3.42 0.15 -1.26 -5.02 113.70 112.18 1vaf s SER 100 Ca 0.00 0.22 -0.23 0.00 0.70 0.00 0.00 55.95 56.64 1vaf s SER 100 Cb 0.00 -0.21 -0.09 0.00 -1.71 0.00 0.00 66.02 64.01 1vaf s SER 100 CO 0.00 -2.89 1.05 -1.81 1.20 0.00 0.00 173.24 170.79 1vaf s ASP 101 N -4.89 6.63 0.89 5.45 1.01 -1.26 -4.86 116.67 119.63 1vaf s ASP 101 Ca 0.75 2.03 0.00 0.00 0.71 0.00 0.00 52.55 56.04 1vaf s ASP 101 Cb -0.03 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1vaf s ASP 101 CO 0.54 -0.58 0.00 0.33 0.21 0.00 0.00 175.17 175.67 1vaf n PHE 102 N -0.29 -3.32 -0.24 4.23 7.35 -1.26 -4.89 117.46 119.04 1vaf n PHE 102 Ca 0.06 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.67 1vaf n PHE 102 Cb 0.50 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.37 1vaf n PHE 102 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1vaf h THR 103 N -1.02 1.26 -3.65 -2.13 2.02 -1.94 -3.46 112.91 103.99 1vaf h THR 103 Ca 0.00 -1.01 -0.51 0.00 0.77 0.00 0.00 66.41 65.66 1vaf h THR 103 Cb 0.00 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1vaf h THR 103 CO 0.00 0.38 0.44 0.00 0.37 0.00 0.00 175.52 176.71 1vaf s LYS 105 N -0.68 -0.37 0.04 0.00 -0.14 -0.90 -4.99 119.74 112.70 1vaf s LYS 105 Ca 0.46 -0.06 -0.19 0.00 -1.36 0.00 0.00 55.97 54.82 1vaf s LYS 105 Cb -0.28 -1.70 -0.16 0.00 -1.68 0.00 0.00 37.83 34.01 1vaf s LYS 105 CO 0.35 -3.15 1.28 0.66 -0.76 0.00 0.00 175.35 173.73 1vaf h SER 106 N -2.17 0.50 -0.02 2.83 4.64 -2.01 -3.33 113.55 113.98 1vaf h SER 106 Ca -0.46 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 1vaf h SER 106 Cb 1.29 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1vaf h SER 106 CO 0.40 0.98 -0.29 2.29 -0.87 0.00 0.00 176.83 179.34 1vaf n LYS 107 N -4.39 1.64 -4.15 4.77 2.85 -1.26 -4.98 118.16 112.63 1vaf n LYS 107 Ca -0.07 -1.34 -0.13 0.00 -1.05 0.00 0.00 58.31 55.72 1vaf n LYS 107 Cb 0.48 -1.46 -0.11 0.00 -0.65 0.00 0.00 35.03 33.29 1vaf n LYS 107 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vaf s SER 108 N -2.26 1.25 -0.10 -5.58 0.15 -1.25 -5.15 113.70 100.76 1vaf s SER 108 Ca 0.22 -0.81 0.02 0.00 0.70 0.00 0.00 55.95 56.08 1vaf s SER 108 Cb 0.18 0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1vaf s SER 108 CO 0.46 -0.30 -0.17 0.00 1.20 0.00 0.00 173.24 174.43 1vaf n LEU 110 N 4.04 3.60 0.00 0.00 4.32 -1.26 -4.81 117.00 122.90 1vaf n LEU 110 Ca -0.20 -4.17 0.01 0.00 -0.02 0.00 0.00 56.01 51.63 1vaf n LEU 110 Cb 0.52 -0.49 0.03 0.00 -1.62 0.00 0.00 43.42 41.86 1vaf n LEU 110 CO 0.25 1.62 0.50 0.61 -1.22 0.00 0.00 177.39 179.14 1vaf n GLY 111 N -0.99 -0.49 1.24 -0.72 0.00 -1.26 -1.21 105.19 101.76 1vaf n GLY 111 Ca 0.29 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1vaf n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vaf n SER 112 N -1.44 3.73 -4.66 1.61 3.41 -1.26 -4.92 113.62 110.09 1vaf n SER 112 Ca 0.00 -1.99 -0.43 0.00 -0.26 0.00 0.00 58.87 56.19 1vaf n SER 112 Cb 0.02 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 1vaf n SER 112 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1vaf s ILE 113 N -1.15 4.67 0.02 -1.33 -1.09 -0.35 -4.97 121.20 117.00 1vaf s ILE 113 Ca 0.44 2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 60.79 1vaf s ILE 113 Cb 0.24 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1vaf s ILE 113 CO 0.32 -0.15 1.11 0.24 -1.23 0.00 0.00 174.94 175.23 1vaf h MET 114 N 7.43 -0.17 -2.42 2.79 2.86 -1.91 -3.35 114.93 120.16 1vaf h MET 114 Ca -0.21 0.01 -0.67 0.00 -2.06 0.00 0.00 59.70 56.77 1vaf h MET 114 Cb 1.08 0.04 -0.37 0.00 0.06 0.00 0.00 31.60 32.40 1vaf h MET 114 CO 0.96 -0.11 -0.13 0.09 1.06 0.00 0.00 176.91 178.78 1vaf n ASN 115 N -2.98 4.71 -4.77 1.22 5.03 -1.26 -5.06 115.26 112.15 1vaf n ASN 115 Ca -0.02 -3.45 -0.36 0.00 0.87 0.00 0.00 54.58 51.62 1vaf n ASN 115 Cb 0.09 -0.87 0.01 0.00 -1.02 0.00 0.00 39.78 37.99 1vaf n ASN 115 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1vaf s PRO 116 N -2.66 3.31 0.47 3.52 0.04 -1.26 -4.90 135.00 133.53 1vaf s PRO 116 Ca 0.37 1.72 0.20 0.00 0.04 0.00 0.00 61.00 63.34 1vaf s PRO 116 Cb 0.12 -2.06 1.21 0.00 0.04 0.00 0.00 34.50 33.82 1vaf s PRO 116 CO 0.02 -0.91 1.96 0.87 0.04 0.00 0.00 177.00 178.98 1vaf h LYS 117 N 1.26 0.22 -0.91 4.56 1.57 -1.98 -0.01 116.57 121.28 1vaf h LYS 117 Ca -0.50 -0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.47 1vaf h LYS 117 Cb 1.27 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.42 1vaf h LYS 117 CO 0.57 0.14 0.46 0.77 -0.57 0.00 0.00 179.45 180.82 1vaf h SER 118 N 0.22 0.47 0.46 0.86 0.02 -1.90 -1.44 113.55 112.25 1vaf h SER 118 Ca 0.31 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1vaf h SER 118 Cb 0.92 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1vaf h SER 118 CO -0.06 0.09 -0.48 0.18 -1.14 0.00 0.00 176.83 175.41 1vaf n LEU 119 N -4.96 0.57 -4.94 5.07 4.32 -0.03 -4.94 117.00 112.08 1vaf n LEU 119 Ca 0.22 -0.04 -0.24 0.00 -0.02 0.00 0.00 56.01 55.93 1vaf n LEU 119 Cb 0.62 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1vaf n LEU 119 CO 0.16 0.13 0.26 -0.89 -1.22 0.00 0.00 177.39 175.83 1vaf s THR 120 N -2.94 4.52 -0.35 -5.08 2.01 -0.54 -1.61 115.64 111.65 1vaf s THR 120 Ca 0.12 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1vaf s THR 120 Cb 0.18 -3.67 0.16 0.00 0.01 0.00 0.00 72.50 69.18 1vaf s THR 120 CO 0.68 -0.48 0.41 -0.60 -0.69 0.00 0.00 174.62 173.95 1vaf s ARG 121 N -4.48 0.58 0.00 4.92 6.06 -0.24 -4.80 118.95 120.98 1vaf s ARG 121 Ca 0.45 -0.46 0.00 0.00 -2.50 0.00 0.00 55.73 53.22 1vaf s ARG 121 Cb -0.10 -0.50 0.00 0.00 0.06 0.00 0.00 34.95 34.41 1vaf s ARG 121 CO 0.38 -1.14 0.00 0.41 -2.50 0.00 0.00 175.30 172.45 1vaf n GLY 122 N 4.66 -0.73 3.31 8.12 0.00 -1.26 -4.61 105.19 114.68 1vaf n GLY 122 Ca 0.07 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1vaf n GLY 122 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vaf n PRO 123 N -0.59 -2.14 -3.71 1.61 -0.02 -1.26 -5.02 135.00 123.87 1vaf n PRO 123 Ca 0.00 -0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 60.74 1vaf n PRO 123 Cb 0.00 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1vaf n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1vaf s ARG 124 N -3.79 0.55 -0.05 -0.52 0.52 -1.26 -5.05 118.95 109.34 1vaf s ARG 124 Ca 0.59 0.69 0.02 0.00 -0.52 0.00 0.00 55.73 56.52 1vaf s ARG 124 Cb -0.16 0.24 -0.25 0.00 0.52 0.00 0.00 34.95 35.30 1vaf s ARG 124 CO 0.64 -0.08 0.63 -0.44 0.02 0.00 0.00 175.30 176.07 1vaf h ASP 125 N 5.59 0.24 -4.24 0.23 5.19 -1.88 -3.36 116.42 118.19 1vaf h ASP 125 Ca -0.28 -0.47 -0.48 0.00 -0.62 0.00 0.00 57.03 55.18 1vaf h ASP 125 Cb 1.18 -0.08 -0.14 0.00 0.18 0.00 0.00 39.33 40.47 1vaf h ASP 125 CO 0.21 1.41 -0.53 -1.59 -3.12 0.00 0.00 179.24 175.62 1vaf s LYS 126 N -2.59 1.75 0.88 3.56 -2.85 -1.20 -4.70 119.74 114.58 1vaf s LYS 126 Ca -0.12 -2.03 -0.11 0.00 -1.00 0.00 0.00 55.97 52.71 1vaf s LYS 126 Cb 0.07 -0.26 0.12 0.00 -2.06 0.00 0.00 37.83 35.70 1vaf s LYS 126 CO 0.81 -0.48 1.10 -2.14 0.10 0.00 0.00 175.35 174.74 1vaf s PRO 127 N -3.72 1.36 0.04 1.78 0.02 -1.26 -4.60 135.00 128.62 1vaf s PRO 127 Ca 0.32 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.18 1vaf s PRO 127 Cb 0.04 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1vaf s PRO 127 CO 0.18 -2.26 1.15 0.95 -0.33 0.00 0.00 177.00 176.69 1vaf s THR 128 N -2.81 4.22 -0.18 0.99 -4.23 -1.26 -4.94 115.64 107.42 1vaf s THR 128 Ca 0.64 1.59 -0.40 0.00 -1.18 0.00 0.00 61.69 62.34 1vaf s THR 128 Cb -0.20 -4.02 -0.17 0.00 1.34 0.00 0.00 72.50 69.46 1vaf s THR 128 CO 0.58 0.12 1.58 -2.65 -0.54 0.00 0.00 174.62 173.70 1vaf n PRO 129 N 4.00 0.96 -0.30 3.99 -0.02 -1.26 -4.75 135.00 137.62 1vaf n PRO 129 Ca 0.08 0.35 0.25 0.00 -2.02 0.00 0.00 63.50 62.17 1vaf n PRO 129 Cb 0.47 -1.99 0.58 0.00 -0.02 0.00 0.00 33.50 32.54 1vaf n PRO 129 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1vaf h LEU 130 N 5.98 0.31 -0.95 2.45 6.46 -1.92 0.24 115.31 127.89 1vaf h LEU 130 Ca -0.47 0.06 0.18 0.00 -0.12 0.00 0.00 57.88 57.52 1vaf h LEU 130 Cb 1.34 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 41.17 1vaf h LEU 130 CO 0.89 0.07 0.54 1.05 -0.62 0.00 0.00 178.44 180.37 1vaf h GLU 131 N 0.28 0.68 0.00 1.25 9.09 -2.01 -2.43 114.58 121.44 1vaf h GLU 131 Ca 0.56 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1vaf h GLU 131 Cb 1.64 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.59 1vaf h GLU 131 CO -0.20 0.45 -1.82 -0.85 0.05 0.00 0.00 179.01 176.64 1vaf n GLU 132 N -4.82 0.59 0.13 1.06 0.28 -0.01 -4.42 120.64 113.46 1vaf n GLU 132 Ca 0.21 -0.16 -0.10 0.00 -0.16 0.00 0.00 57.16 56.94 1vaf n GLU 132 Cb 0.53 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 1vaf n GLU 132 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1vaf h LEU 133 N 0.00 -0.35 -0.98 -1.84 5.85 -1.06 -3.31 115.31 113.62 1vaf h LEU 133 Ca 0.00 -0.16 0.22 0.00 0.84 0.00 0.00 57.88 58.78 1vaf h LEU 133 Cb 0.88 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 1vaf h LEU 133 CO 0.00 0.12 0.56 0.25 -0.34 0.00 0.00 178.44 179.04 1vaf h LEU 134 N -0.98 0.65 -0.60 2.25 5.85 -1.69 -0.60 115.31 120.20 1vaf h LEU 134 Ca -0.04 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1vaf h LEU 134 Cb 0.49 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1vaf h LEU 134 CO 0.07 0.14 0.07 -0.65 -0.34 0.00 0.00 178.44 177.73 1vaf h PRO 135 N 0.60 1.00 0.17 5.25 0.11 -1.77 -2.06 132.00 135.31 1vaf h PRO 135 Ca 0.61 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 66.43 1vaf h PRO 135 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1vaf h PRO 135 CO -0.46 0.96 -0.08 0.45 -0.21 0.00 0.00 178.00 178.66 1vaf h HIS 136 N 0.90 -0.22 -0.97 0.65 3.86 -1.38 -1.80 115.15 116.20 1vaf h HIS 136 Ca 0.18 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.60 1vaf h HIS 136 Cb 0.46 0.07 -0.12 0.00 1.06 0.00 0.00 27.41 28.88 1vaf h HIS 136 CO 0.03 0.11 0.55 0.00 0.86 0.00 0.00 177.93 179.49 1vaf h ALA 137 N 0.18 1.65 -0.41 2.45 0.00 -0.64 0.14 119.26 122.64 1vaf h ALA 137 Ca -0.02 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1vaf h ALA 137 Cb 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1vaf h ALA 137 CO 0.04 -0.21 -0.30 0.82 0.00 0.00 0.00 179.25 179.60 1vaf h ILE 138 N 0.60 1.27 -0.76 0.00 2.04 -1.25 -1.71 117.51 117.71 1vaf h ILE 138 Ca 0.60 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1vaf h ILE 138 Cb 1.06 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1vaf h ILE 138 CO -0.45 0.49 0.48 -0.08 0.00 0.00 0.00 178.15 178.59 1vaf h GLU 139 N 0.76 1.02 0.15 2.37 4.22 0.08 -1.45 114.58 121.74 1vaf h GLU 139 Ca 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1vaf h GLU 139 Cb 0.88 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1vaf h GLU 139 CO 0.08 0.71 -0.07 0.35 -2.18 0.00 0.00 179.01 177.89 1vaf h PHE 140 N 1.04 -0.19 -0.46 0.92 3.57 -0.87 -0.78 116.94 120.17 1vaf h PHE 140 Ca 0.28 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.86 1vaf h PHE 140 Cb -0.07 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 1vaf h PHE 140 CO -0.01 0.07 -0.09 0.82 -2.23 0.00 0.00 178.31 176.87 1vaf h ILE 141 N -0.45 0.57 0.37 1.41 1.08 -1.14 0.27 117.51 119.62 1vaf h ILE 141 Ca -0.02 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1vaf h ILE 141 Cb 0.35 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1vaf h ILE 141 CO 0.03 0.00 -0.36 0.78 -0.69 0.00 0.00 178.15 177.92 1vaf h ASN 142 N 0.02 -0.98 -0.79 1.72 2.35 -1.21 -2.47 115.58 114.21 1vaf h ASN 142 Ca 0.22 0.08 0.16 0.00 -0.55 0.00 0.00 56.30 56.21 1vaf h ASN 142 Cb 0.34 0.33 -0.15 0.00 0.05 0.00 0.00 38.32 38.89 1vaf h ASN 142 CO -0.45 -0.51 -0.20 -0.61 -1.65 0.00 0.00 177.43 174.01 1vaf h GLN 143 N -0.75 -0.00 0.34 0.81 4.15 0.15 0.02 115.11 119.82 1vaf h GLN 143 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1vaf h GLN 143 Cb 0.68 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1vaf h GLN 143 CO -0.06 -0.00 -0.36 -0.92 -1.93 0.00 0.00 178.83 175.56 1vaf h TYR 144 N -0.00 -1.00 -0.14 3.99 3.20 -0.18 -2.15 116.97 120.69 1vaf h TYR 144 Ca 0.38 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.30 1vaf h TYR 144 Cb 0.58 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1vaf h TYR 144 CO -0.63 -0.47 0.12 1.88 -1.64 0.00 0.00 178.16 177.42 1vaf h TYR 145 N -0.70 0.00 0.00 -3.82 -1.99 -1.01 -0.32 116.97 109.13 1vaf h TYR 145 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1vaf h TYR 145 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 1vaf h TYR 145 CO -0.21 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.36 1vaf n GLY 146 N -1.49 -0.73 0.14 3.88 0.00 -0.05 -2.20 105.19 104.75 1vaf n GLY 146 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1vaf n GLY 146 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vaf h SER 147 N 0.00 0.58 -0.92 1.61 4.64 -0.93 -3.48 113.55 115.05 1vaf h SER 147 Ca 0.00 -0.93 -0.72 0.00 -0.47 0.00 0.00 61.79 59.67 1vaf h SER 147 Cb 0.12 -0.19 0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1vaf h SER 147 CO 0.00 1.77 0.02 0.49 -0.87 0.00 0.00 176.83 178.24 1vaf n PHE 148 N -3.65 0.53 -0.21 4.77 3.01 -0.94 -4.81 117.46 116.17 1vaf n PHE 148 Ca -0.25 0.97 0.01 0.00 1.01 0.00 0.00 57.45 59.19 1vaf n PHE 148 Cb 1.05 -1.92 0.09 0.00 -0.01 0.00 0.00 39.48 38.69 1vaf n PHE 148 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1vaf h LYS 149 N 2.67 0.07 -4.89 -1.08 3.11 -1.92 -3.39 116.57 111.14 1vaf h LYS 149 Ca -0.46 -0.00 -0.42 0.00 -2.81 0.00 0.00 60.65 56.96 1vaf h LYS 149 Cb 1.32 -0.02 -0.29 0.00 -1.00 0.00 0.00 32.23 32.25 1vaf h LYS 149 CO 0.60 0.05 -0.79 -1.83 -2.81 0.00 0.00 179.45 174.66 1vaf s GLU 150 N -6.17 0.85 1.00 1.90 1.03 -1.26 -5.15 118.70 110.89 1vaf s GLU 150 Ca -0.14 -0.38 -0.15 0.00 0.03 0.00 0.00 54.97 54.34 1vaf s GLU 150 Cb 0.19 -0.82 0.12 0.00 -0.80 0.00 0.00 34.13 32.82 1vaf s GLU 150 CO 0.74 0.23 0.11 0.00 -1.33 0.00 0.00 175.26 175.01 1vaf n ALA 151 N 2.82 -1.33 -2.70 -0.84 0.00 -1.26 -5.02 120.51 112.18 1vaf n ALA 151 Ca -0.14 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.19 1vaf n ALA 151 Cb 0.56 -0.92 0.09 0.00 0.00 0.00 0.00 19.45 19.18 1vaf n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vaf n LYS 152 N -1.29 0.81 -0.30 0.00 5.02 -1.26 -5.05 118.16 116.09 1vaf n LYS 152 Ca 0.04 -1.53 0.02 0.00 -2.02 0.00 0.00 58.31 54.83 1vaf n LYS 152 Cb 0.41 -0.47 0.10 0.00 -0.02 0.00 0.00 35.03 35.04 1vaf n LYS 152 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1vaf h ILE 153 N 1.93 0.15 -0.60 -0.18 5.03 -1.97 0.51 117.51 122.37 1vaf h ILE 153 Ca -0.25 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.58 1vaf h ILE 153 Cb 1.19 0.15 -0.07 0.00 -3.03 0.00 0.00 36.82 35.06 1vaf h ILE 153 CO 0.01 0.00 0.21 1.05 -0.68 0.00 0.00 178.15 178.74 1vaf h GLU 154 N -0.01 0.37 -0.01 2.37 9.09 -1.98 0.65 114.58 125.07 1vaf h GLU 154 Ca 0.39 -0.02 -0.19 0.00 0.05 0.00 0.00 59.36 59.59 1vaf h GLU 154 Cb 0.61 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1vaf h GLU 154 CO -0.86 0.25 -0.83 0.93 0.05 0.00 0.00 179.01 178.55 1vaf h GLU 155 N 0.39 0.17 -0.00 1.06 5.08 -1.45 0.81 114.58 120.63 1vaf h GLU 155 Ca 0.30 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1vaf h GLU 155 Cb 0.38 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1vaf h GLU 155 CO -0.31 0.90 0.00 1.25 -1.00 0.00 0.00 179.01 179.85 1vaf h HIS 156 N 0.10 0.00 -0.70 4.33 2.76 0.10 -0.22 115.15 121.52 1vaf h HIS 156 Ca -0.03 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 1vaf h HIS 156 Cb 1.43 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.36 1vaf h HIS 156 CO 0.02 0.20 0.18 -0.07 -1.30 0.00 0.00 177.93 176.97 1vaf h LEU 157 N -0.20 1.04 0.18 0.26 3.38 0.32 -0.82 115.31 119.48 1vaf h LEU 157 Ca 0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1vaf h LEU 157 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1vaf h LEU 157 CO -0.00 0.99 -0.26 0.00 0.09 0.00 0.00 178.44 179.27 1vaf h ALA 158 N 1.14 -0.48 -0.83 1.53 0.00 -0.63 -1.67 119.26 118.33 1vaf h ALA 158 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1vaf h ALA 158 Cb 0.35 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1vaf h ALA 158 CO -0.00 -0.81 0.44 -0.09 0.00 0.00 0.00 179.25 178.79 1vaf h ARG 159 N -0.50 1.17 -0.60 0.00 9.65 -0.88 -1.31 114.38 121.90 1vaf h ARG 159 Ca 0.01 -0.15 0.05 0.00 -1.10 0.00 0.00 59.98 58.80 1vaf h ARG 159 Cb 0.49 -0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 1vaf h ARG 159 CO -0.11 0.87 0.33 -0.07 2.80 0.00 0.00 179.97 183.80 1vaf h LEU 160 N 1.16 0.50 0.45 3.80 3.38 -0.85 -1.74 115.31 122.02 1vaf h LEU 160 Ca 0.29 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1vaf h LEU 160 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1vaf h LEU 160 CO -0.04 0.34 -0.22 -0.08 0.09 0.00 0.00 178.44 178.53 1vaf h GLU 161 N 0.64 -0.58 -0.97 1.13 4.81 -0.89 -2.58 114.58 116.13 1vaf h GLU 161 Ca 0.26 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.71 1vaf h GLU 161 Cb 0.13 0.13 -0.17 0.00 0.63 0.00 0.00 28.75 29.47 1vaf h GLU 161 CO -0.15 -0.39 -0.29 0.00 -0.73 0.00 0.00 179.01 177.44 1vaf n ALA 162 N -2.53 0.10 -0.02 2.92 0.00 -0.53 -0.37 120.51 120.09 1vaf n ALA 162 Ca -0.08 1.03 -0.10 0.00 0.00 0.00 0.00 53.44 54.30 1vaf n ALA 162 Cb 0.24 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 1vaf n ALA 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vaf h VAL 163 N 0.00 0.90 0.63 0.00 2.07 -1.37 0.69 116.25 119.18 1vaf h VAL 163 Ca 0.42 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 1vaf h VAL 163 Cb 0.66 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1vaf h VAL 163 CO -0.99 0.01 -0.49 0.74 0.02 0.00 0.00 177.57 176.86 1vaf h THR 164 N 0.05 0.03 -0.60 2.57 2.02 -0.28 0.20 112.91 116.89 1vaf h THR 164 Ca 0.07 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.37 1vaf h THR 164 Cb 0.08 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 66.41 1vaf h THR 164 CO -0.11 0.00 -0.06 0.11 0.37 0.00 0.00 175.52 175.83 1vaf h LYS 165 N -1.09 0.06 -0.20 6.66 1.79 -0.99 -0.71 116.57 122.09 1vaf h LYS 165 Ca -0.08 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1vaf h LYS 165 Cb 0.91 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 1vaf h LYS 165 CO 0.02 0.04 0.05 1.49 -1.08 0.00 0.00 179.45 179.97 1vaf h GLU 166 N 0.06 0.14 -0.69 3.15 4.81 -0.40 0.32 114.58 121.97 1vaf h GLU 166 Ca 0.30 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1vaf h GLU 166 Cb 0.49 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1vaf h GLU 166 CO -0.56 0.09 0.42 0.82 -0.73 0.00 0.00 179.01 179.05 1vaf h ILE 167 N 0.14 1.20 -0.35 2.32 2.04 0.07 0.48 117.51 123.42 1vaf h ILE 167 Ca 0.09 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 1vaf h ILE 167 Cb 0.07 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1vaf h ILE 167 CO -0.11 0.20 -0.19 -0.33 0.00 0.00 0.00 178.15 177.72 1vaf h GLU 168 N 0.94 0.74 0.04 2.37 5.08 -0.79 0.55 114.58 123.52 1vaf h GLU 168 Ca 0.25 -0.34 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 1vaf h GLU 168 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1vaf h GLU 168 CO -0.05 0.95 -1.02 1.79 -1.00 0.00 0.00 179.01 179.69 1vaf h THR 169 N 0.52 1.52 0.00 1.13 1.35 -0.16 -3.38 112.91 113.89 1vaf h THR 169 Ca 0.07 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1vaf h THR 169 Cb 0.74 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1vaf h THR 169 CO 0.06 0.83 -0.71 0.35 -0.25 0.00 0.00 175.52 175.80 1vaf n THR 170 N -3.58 0.00 0.00 6.82 -2.24 0.17 -5.00 114.28 110.44 1vaf n THR 170 Ca -0.05 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1vaf n THR 170 Cb 0.90 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1vaf n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vaf n GLY 171 N 1.44 1.85 0.00 3.38 0.00 0.19 -4.94 105.19 107.11 1vaf n GLY 171 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vaf n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vaf n THR 172 N -2.00 0.00 -3.55 2.61 5.66 -1.23 -4.86 114.28 110.91 1vaf n THR 172 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1vaf n THR 172 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1vaf n THR 172 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1vaf s TYR 173 N -2.40 -0.25 -0.01 1.09 1.13 -1.26 -2.83 117.35 112.82 1vaf s TYR 173 Ca 0.00 0.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.86 1vaf s TYR 173 Cb 0.00 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1vaf s TYR 173 CO 0.00 -0.39 -0.06 -0.65 -2.51 0.00 0.00 175.55 171.94 1vaf s GLN 174 N -2.70 2.61 0.29 -3.49 -1.52 -1.26 -5.06 119.66 108.52 1vaf s GLN 174 Ca 0.06 -0.68 -0.19 0.00 -1.95 0.00 0.00 55.36 52.61 1vaf s GLN 174 Cb -0.01 -2.53 -0.09 0.00 -0.22 0.00 0.00 33.01 30.16 1vaf s GLN 174 CO -0.07 0.62 0.77 -0.51 -0.25 0.00 0.00 175.29 175.85 1vaf s LEU 175 N -1.29 4.20 0.22 2.90 1.43 -1.26 -5.05 118.68 119.83 1vaf s LEU 175 Ca 0.16 1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 54.42 1vaf s LEU 175 Cb -0.11 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 42.13 1vaf s LEU 175 CO 0.06 -0.10 0.87 0.42 0.23 0.00 0.00 176.35 177.83 1vaf s THR 176 N -1.76 4.20 0.44 5.49 -4.23 -1.26 -4.84 115.64 113.68 1vaf s THR 176 Ca 0.49 1.91 0.31 0.00 -1.18 0.00 0.00 61.69 63.23 1vaf s THR 176 Cb -0.14 -4.23 0.50 0.00 1.34 0.00 0.00 72.50 69.97 1vaf s THR 176 CO 0.19 0.48 1.60 0.25 -0.54 0.00 0.00 174.62 176.60 1vaf h LEU 177 N 4.15 0.22 -0.70 4.79 5.85 -1.99 0.96 115.31 128.58 1vaf h LEU 177 Ca -0.46 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1vaf h LEU 177 Cb 1.20 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1vaf h LEU 177 CO 0.67 -0.23 0.00 0.44 -0.34 0.00 0.00 178.44 178.98 1vaf h ASP 178 N 0.04 0.00 0.16 1.25 5.19 -1.99 -1.32 116.42 119.74 1vaf h ASP 178 Ca 0.86 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 57.06 1vaf h ASP 178 Cb 2.73 0.00 0.02 0.00 0.18 0.00 0.00 39.33 42.26 1vaf h ASP 178 CO -0.45 0.00 -0.90 -0.33 -3.12 0.00 0.00 179.24 174.44 1vaf h GLU 179 N 0.00 0.34 -0.29 3.56 5.08 0.57 -1.97 114.58 121.87 1vaf h GLU 179 Ca 0.00 -0.57 0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1vaf h GLU 179 Cb 0.77 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1vaf h GLU 179 CO 0.00 1.27 0.11 1.25 -1.00 0.00 0.00 179.01 180.64 1vaf h LEU 180 N -0.29 0.12 0.14 1.33 5.85 -1.30 0.48 115.31 121.64 1vaf h LEU 180 Ca -0.16 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1vaf h LEU 180 Cb 1.71 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1vaf h LEU 180 CO 0.17 0.11 -0.14 0.40 -0.34 0.00 0.00 178.44 178.64 1vaf h ILE 181 N 0.24 0.69 -0.72 4.05 2.04 -1.33 -0.88 117.51 121.60 1vaf h ILE 181 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1vaf h ILE 181 Cb 0.09 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 1vaf h ILE 181 CO -0.13 0.00 0.37 0.15 0.00 0.00 0.00 178.15 178.54 1vaf h PHE 182 N -0.31 0.66 0.15 1.37 3.57 -0.90 -2.50 116.94 118.98 1vaf h PHE 182 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1vaf h PHE 182 Cb 0.29 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1vaf h PHE 182 CO -0.13 0.25 -0.11 0.00 -2.23 0.00 0.00 178.31 176.10 1vaf h ALA 183 N 1.42 -0.24 -0.72 2.41 0.00 0.42 -1.89 119.26 120.65 1vaf h ALA 183 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vaf h ALA 183 Cb 0.35 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1vaf h ALA 183 CO -0.26 -0.65 0.46 1.79 0.00 0.00 0.00 179.25 180.60 1vaf h THR 184 N -0.26 1.19 -0.21 0.00 1.35 -0.80 0.16 112.91 114.34 1vaf h THR 184 Ca -0.01 -0.38 -0.19 0.00 -0.55 0.00 0.00 66.41 65.28 1vaf h THR 184 Cb 0.23 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1vaf h THR 184 CO 0.00 0.19 -0.62 0.11 -0.25 0.00 0.00 175.52 174.96 1vaf h LYS 185 N 0.98 0.80 -0.58 4.72 1.57 -1.40 -3.02 116.57 119.64 1vaf h LYS 185 Ca 0.26 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1vaf h LYS 185 Cb -0.08 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1vaf h LYS 185 CO -0.05 1.19 0.33 0.52 -0.57 0.00 0.00 179.45 180.87 1vaf h MET 186 N 0.54 0.80 0.00 3.15 2.86 -0.77 0.91 114.93 122.41 1vaf h MET 186 Ca -0.02 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1vaf h MET 186 Cb 1.24 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1vaf h MET 186 CO 0.13 0.59 -0.03 0.00 1.06 0.00 0.00 176.91 178.66 1vaf h ALA 187 N 1.16 1.23 0.15 6.32 0.00 -0.71 0.41 119.26 127.81 1vaf h ALA 187 Ca 0.20 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1vaf h ALA 187 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1vaf h ALA 187 CO -0.04 0.04 -1.69 2.35 0.00 0.00 0.00 179.25 179.92 1vaf h TRP 188 N 0.00 0.57 0.00 0.00 7.01 -1.23 -3.06 115.95 119.24 1vaf h TRP 188 Ca -0.00 -0.41 -0.01 0.00 2.11 0.00 0.00 58.89 60.58 1vaf h TRP 188 Cb 0.14 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1vaf h TRP 188 CO 0.00 1.55 -0.03 -0.09 -2.79 0.00 0.00 178.44 177.07 1vaf h ARG 189 N 0.09 0.00 -0.15 2.65 2.43 0.55 -2.87 114.38 117.09 1vaf h ARG 189 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1vaf h ARG 189 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1vaf h ARG 189 CO 0.16 0.03 0.00 0.09 -1.51 0.00 0.00 179.97 178.74 1vaf n ASN 190 N -3.17 2.95 -4.59 -3.80 3.02 -0.00 -4.89 115.26 104.78 1vaf n ASN 190 Ca -0.00 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1vaf n ASN 190 Cb 0.27 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 1vaf n ASN 190 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vaf s ALA 191 N -1.61 2.85 -1.60 5.41 0.00 -1.08 -4.75 121.76 120.98 1vaf s ALA 191 Ca 0.28 -0.27 0.16 0.00 0.00 0.00 0.00 51.96 52.13 1vaf s ALA 191 Cb 0.19 -4.04 0.84 0.00 0.00 0.00 0.00 23.12 20.11 1vaf s ALA 191 CO 0.27 -2.75 1.42 -0.35 0.00 0.00 0.00 175.76 174.35 1vaf n PRO 192 N 8.43 0.31 -0.07 0.00 -0.04 -1.26 -2.98 135.00 139.37 1vaf n PRO 192 Ca 0.17 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 1vaf n PRO 192 Cb 0.48 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1vaf n PRO 192 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vaf n ARG 193 N -1.20 1.57 -3.30 0.54 1.74 -1.26 0.11 116.66 114.86 1vaf n ARG 193 Ca 0.09 -1.62 -0.40 0.00 -0.77 0.00 0.00 57.85 55.15 1vaf n ARG 193 Cb 0.10 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 1vaf n ARG 193 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vaf h ILE 195 N 5.43 0.03 -1.12 0.00 6.09 -1.91 -3.32 117.51 122.70 1vaf h ILE 195 Ca -0.30 -0.76 -0.63 0.00 -1.37 0.00 0.00 64.86 61.80 1vaf h ILE 195 Cb 1.15 1.74 -0.36 0.00 0.47 0.00 0.00 36.82 39.82 1vaf h ILE 195 CO 0.70 0.01 0.05 0.61 -3.07 0.00 0.00 178.15 176.45 1vaf n GLY 196 N 0.52 6.04 0.00 8.18 0.00 -1.26 -4.21 105.19 114.46 1vaf n GLY 196 Ca 0.02 -2.53 0.12 0.00 0.00 0.00 0.00 46.02 43.63 1vaf n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vaf n ARG 197 N -0.73 0.04 0.00 1.61 1.74 -1.25 -3.14 116.66 114.94 1vaf n ARG 197 Ca 0.51 0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.69 1vaf n ARG 197 Cb 0.71 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.73 1vaf n ARG 197 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1vaf n ILE 198 N -1.47 0.63 0.70 0.55 3.06 -1.26 0.61 119.36 122.17 1vaf n ILE 198 Ca 0.07 0.16 0.08 0.00 -2.50 0.00 0.00 62.75 60.55 1vaf n ILE 198 Cb 0.27 -1.11 0.03 0.00 0.54 0.00 0.00 39.64 39.37 1vaf n ILE 198 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vaf n GLN 199 N -1.17 1.54 -0.34 9.51 1.13 -1.19 -4.80 117.38 122.05 1vaf n GLN 199 Ca 0.02 -1.09 0.11 0.00 -1.94 0.00 0.00 57.00 54.09 1vaf n GLN 199 Cb 0.02 -1.29 0.22 0.00 0.11 0.00 0.00 30.24 29.30 1vaf n GLN 199 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95 1vaf n TRP 200 N 0.32 0.50 1.60 1.08 4.27 0.20 -0.19 117.44 125.23 1vaf n TRP 200 Ca 0.08 1.18 0.14 0.00 -3.89 0.00 0.00 57.50 55.00 1vaf n TRP 200 Cb 0.37 -1.15 0.78 0.00 -1.36 0.00 0.00 31.31 29.94 1vaf n TRP 200 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1vaf n SER 201 N -5.51 0.00 -4.19 -0.67 3.41 -1.26 -4.39 113.62 101.01 1vaf n SER 201 Ca 0.20 -0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 57.74 1vaf n SER 201 Cb 0.63 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1vaf n SER 201 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1vaf s ASN 202 N -2.15 5.87 -0.13 4.04 2.47 0.74 -5.03 114.94 120.75 1vaf s ASN 202 Ca 0.37 -2.78 -0.16 0.00 0.42 0.00 0.00 52.86 50.72 1vaf s ASN 202 Cb 0.19 -2.00 0.04 0.00 -1.45 0.00 0.00 41.25 38.02 1vaf s ASN 202 CO 0.34 -0.46 0.42 -0.22 -3.72 0.00 0.00 177.10 173.46 1vaf s LEU 203 N 0.04 0.42 -0.15 3.21 2.96 -1.26 -4.80 118.68 119.10 1vaf s LEU 203 Ca 0.17 0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 54.62 1vaf s LEU 203 Cb -0.16 1.48 -0.04 0.00 0.50 0.00 0.00 46.19 47.96 1vaf s LEU 203 CO -0.06 -0.23 0.38 -1.58 -1.32 0.00 0.00 176.35 173.55 1vaf s GLN 204 N -0.14 4.28 -0.30 1.98 2.00 -0.89 -4.96 119.66 121.62 1vaf s GLN 204 Ca -0.03 0.25 -0.04 0.00 -2.00 0.00 0.00 55.36 53.54 1vaf s GLN 204 Cb -0.03 -3.45 0.04 0.00 0.80 0.00 0.00 33.01 30.37 1vaf s GLN 204 CO 0.02 0.16 0.03 0.08 -0.50 0.00 0.00 175.29 175.08 1vaf s VAL 205 N 0.68 3.34 -0.56 1.34 1.01 -1.26 0.51 120.40 125.45 1vaf s VAL 205 Ca 0.20 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1vaf s VAL 205 Cb -0.14 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1vaf s VAL 205 CO 0.07 -0.05 0.64 -0.36 0.00 0.00 0.00 175.10 175.40 1vaf s PHE 206 N 1.34 3.06 -0.81 5.22 0.08 0.12 -4.98 117.98 122.01 1vaf s PHE 206 Ca -0.02 -0.89 -0.25 0.00 0.12 0.00 0.00 56.93 55.88 1vaf s PHE 206 Cb -0.19 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1vaf s PHE 206 CO -0.00 -1.16 1.65 0.34 -0.10 0.00 0.00 175.22 175.95 1vaf s ASP 207 N 3.31 5.72 -0.48 1.36 2.15 -1.26 -1.49 116.67 125.99 1vaf s ASP 207 Ca 0.11 -0.50 0.03 0.00 0.43 0.00 0.00 52.55 52.61 1vaf s ASP 207 Cb -0.24 -2.55 0.48 0.00 -0.30 0.00 0.00 42.92 40.31 1vaf s ASP 207 CO 0.07 -2.15 1.69 0.00 -0.17 0.00 0.00 175.17 174.62 1vaf n ALA 208 N 11.39 5.59 1.15 3.66 0.00 0.12 -4.67 120.51 137.76 1vaf n ALA 208 Ca 0.24 -3.47 0.11 0.00 0.00 0.00 0.00 53.44 50.32 1vaf n ALA 208 Cb 0.50 -1.16 0.58 0.00 0.00 0.00 0.00 19.45 19.36 1vaf n ALA 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vaf n ARG 209 N -0.91 0.46 0.00 0.00 1.74 -1.05 -2.48 116.66 114.42 1vaf n ARG 209 Ca 0.53 0.05 0.03 0.00 -0.77 0.00 0.00 57.85 57.69 1vaf n ARG 209 Cb 0.91 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.73 1vaf n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1vaf n ASN 210 N -1.17 0.40 -4.46 0.55 0.23 -1.26 -4.32 115.26 105.22 1vaf n ASN 210 Ca 0.13 0.17 -0.56 0.00 -0.53 0.00 0.00 54.58 53.79 1vaf n ASN 210 Cb 0.13 0.99 -0.06 0.00 -2.08 0.00 0.00 39.78 38.75 1vaf n ASN 210 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vaf n SER 212 N 1.65 4.16 -4.17 0.00 7.64 -1.26 -4.81 113.62 116.83 1vaf n SER 212 Ca 0.19 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.97 1vaf n SER 212 Cb 0.13 1.12 -0.10 0.00 -1.01 0.00 0.00 64.21 64.35 1vaf n SER 212 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1vaf s THR 213 N -2.24 0.19 0.21 0.44 -4.23 -1.26 -4.75 115.64 104.00 1vaf s THR 213 Ca -0.01 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 1vaf s THR 213 Cb 0.02 -2.08 0.15 0.00 1.34 0.00 0.00 72.50 71.93 1vaf s THR 213 CO 0.15 -0.44 1.81 0.00 -0.54 0.00 0.00 174.62 175.60 1vaf h ALA 214 N 2.82 0.93 -0.67 3.99 0.00 -1.91 -0.92 119.26 123.51 1vaf h ALA 214 Ca -0.35 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1vaf h ALA 214 Cb 1.20 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1vaf h ALA 214 CO 0.59 0.06 0.28 0.37 0.00 0.00 0.00 179.25 180.56 1vaf h GLN 215 N 0.70 0.47 -0.53 0.00 5.75 -1.96 -1.02 115.11 118.51 1vaf h GLN 215 Ca 0.31 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 1vaf h GLN 215 Cb 0.20 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1vaf h GLN 215 CO -0.19 0.31 0.05 0.93 -2.65 0.00 0.00 178.83 177.28 1vaf h GLU 216 N 0.48 0.91 -0.04 1.69 5.08 -1.61 -1.79 114.58 119.30 1vaf h GLU 216 Ca 0.34 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1vaf h GLU 216 Cb 0.42 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1vaf h GLU 216 CO -0.31 0.90 -0.11 0.52 -1.00 0.00 0.00 179.01 179.02 1vaf h MET 217 N 0.79 -0.16 -0.61 2.33 2.86 -0.60 0.32 114.93 119.86 1vaf h MET 217 Ca 0.16 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 1vaf h MET 217 Cb 0.46 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.07 1vaf h MET 217 CO 0.02 -0.10 0.11 0.35 1.06 0.00 0.00 176.91 178.34 1vaf h PHE 218 N -0.16 0.16 -0.65 -0.22 3.57 -1.05 1.24 116.94 119.83 1vaf h PHE 218 Ca 0.05 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1vaf h PHE 218 Cb 0.23 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1vaf h PHE 218 CO -0.19 -0.06 0.33 1.96 -2.23 0.00 0.00 178.31 178.13 1vaf h GLN 219 N 0.23 0.91 -0.40 1.11 4.20 -0.51 0.18 115.11 120.83 1vaf h GLN 219 Ca 0.32 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1vaf h GLN 219 Cb 0.49 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1vaf h GLN 219 CO -0.43 0.71 0.15 0.45 -0.67 0.00 0.00 178.83 179.04 1vaf h HIS 220 N 0.88 0.62 -0.33 2.96 3.86 0.27 -1.27 115.15 122.14 1vaf h HIS 220 Ca 0.22 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 1vaf h HIS 220 Cb 0.08 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1vaf h HIS 220 CO -0.00 0.56 -0.06 0.82 0.86 0.00 0.00 177.93 180.10 1vaf h ILE 221 N 0.50 1.22 -0.41 2.45 2.04 0.18 -1.26 117.51 122.23 1vaf h ILE 221 Ca 0.13 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1vaf h ILE 221 Cb 0.21 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1vaf h ILE 221 CO -0.01 0.31 0.06 0.00 0.00 0.00 0.00 178.15 178.51 1vaf h ARG 223 N 0.53 0.93 0.18 0.00 9.65 -0.89 0.12 114.38 124.89 1vaf h ARG 223 Ca 0.12 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1vaf h ARG 223 Cb 0.39 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1vaf h ARG 223 CO 0.01 0.77 -0.08 1.25 2.80 0.00 0.00 179.97 184.71 1vaf h HIS 224 N 0.91 -0.22 -0.92 2.20 2.76 -0.95 0.48 115.15 119.42 1vaf h HIS 224 Ca 0.21 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.54 1vaf h HIS 224 Cb 0.19 0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.15 1vaf h HIS 224 CO 0.01 0.20 0.59 0.82 -1.30 0.00 0.00 177.93 178.25 1vaf h ILE 225 N -0.75 0.78 -0.04 6.26 2.04 -0.17 0.05 117.51 125.67 1vaf h ILE 225 Ca -0.02 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1vaf h ILE 225 Cb 0.51 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1vaf h ILE 225 CO 0.04 0.12 -0.09 0.25 0.00 0.00 0.00 178.15 178.47 1vaf h LEU 226 N 0.64 0.14 -0.65 1.44 5.85 -0.88 -2.63 115.31 119.22 1vaf h LEU 226 Ca 0.48 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1vaf h LEU 226 Cb 0.86 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1vaf h LEU 226 CO -0.23 0.70 0.16 0.22 -0.34 0.00 0.00 178.44 178.96 1vaf h TYR 227 N -0.42 1.10 -0.29 1.25 5.03 -0.33 -2.96 116.97 120.35 1vaf h TYR 227 Ca -0.00 -0.13 -0.07 0.00 2.58 0.00 0.00 58.73 61.11 1vaf h TYR 227 Cb 0.69 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1vaf h TYR 227 CO 0.13 0.91 -0.07 0.00 -1.32 0.00 0.00 178.16 177.80 1vaf h ALA 228 N 1.06 0.40 -0.03 1.82 0.00 -1.10 -3.25 119.26 118.17 1vaf h ALA 228 Ca 0.21 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1vaf h ALA 228 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1vaf h ALA 228 CO 0.00 0.23 -0.10 1.15 0.00 0.00 0.00 179.25 180.53 1vaf h THR 229 N 0.33 0.74 -6.17 0.00 2.02 -1.46 0.03 112.91 108.40 1vaf h THR 229 Ca 0.07 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.81 1vaf h THR 229 Cb 0.56 0.74 0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1vaf h THR 229 CO 0.03 0.00 -0.80 -3.20 0.37 0.00 0.00 175.52 171.92 1vaf n ASN 230 N -5.23 -2.52 -3.11 4.18 5.15 -1.12 -1.34 115.26 111.27 1vaf n ASN 230 Ca -0.05 -0.81 -0.21 0.00 -0.60 0.00 0.00 54.58 52.92 1vaf n ASN 230 Cb 0.15 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.42 1vaf n ASN 230 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1vaf n ASN 231 N -2.98 -4.11 0.00 1.20 4.05 -1.26 -1.01 115.26 111.15 1vaf n ASN 231 Ca -0.17 -0.25 0.00 0.00 0.45 0.00 0.00 54.58 54.61 1vaf n ASN 231 Cb 0.62 -3.40 0.00 0.00 1.23 0.00 0.00 39.78 38.23 1vaf n ASN 231 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vaf n GLY 232 N -1.15 2.45 3.24 8.20 0.00 -0.45 -4.96 105.19 112.52 1vaf n GLY 232 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1vaf n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vaf n ASN 233 N 0.00 5.18 -4.54 1.61 2.85 -0.18 -1.48 115.26 118.70 1vaf n ASN 233 Ca 0.00 -3.03 -0.48 0.00 -0.11 0.00 0.00 54.58 50.96 1vaf n ASN 233 Cb 0.00 -1.53 -0.03 0.00 1.24 0.00 0.00 39.78 39.45 1vaf n ASN 233 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1vaf n ILE 234 N 4.11 1.42 -4.25 -1.44 2.08 -1.16 -4.45 119.36 115.67 1vaf n ILE 234 Ca 0.38 -0.36 -0.26 0.00 0.56 0.00 0.00 62.75 63.08 1vaf n ILE 234 Cb 0.40 -0.69 -0.17 0.00 -0.75 0.00 0.00 39.64 38.43 1vaf n ILE 234 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1vaf s ARG 235 N -0.87 1.65 0.33 0.38 0.52 -0.00 -4.97 118.95 115.98 1vaf s ARG 235 Ca 0.67 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.25 1vaf s ARG 235 Cb -0.84 -1.52 -0.11 0.00 0.52 0.00 0.00 34.95 33.01 1vaf s ARG 235 CO 0.56 -0.12 1.44 -1.12 0.02 0.00 0.00 175.30 176.08 1vaf s SER 236 N 1.17 6.53 0.09 0.23 0.01 -1.26 -4.45 113.70 116.02 1vaf s SER 236 Ca -0.05 2.86 -0.25 0.00 1.31 0.00 0.00 55.95 59.82 1vaf s SER 236 Cb -0.14 -2.65 0.08 0.00 0.21 0.00 0.00 66.02 63.52 1vaf s SER 236 CO -0.02 -0.75 0.73 0.00 0.41 0.00 0.00 173.24 173.61 1vaf s ALA 237 N -0.77 -1.69 -0.04 1.44 0.00 -1.01 -2.10 121.76 117.59 1vaf s ALA 237 Ca 0.54 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 1vaf s ALA 237 Cb -0.44 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1vaf s ALA 237 CO 0.54 -0.74 0.16 -1.50 0.00 0.00 0.00 175.76 174.22 1vaf s ILE 238 N -3.48 0.03 -0.28 0.00 2.07 0.18 -1.28 121.20 118.44 1vaf s ILE 238 Ca 0.03 -0.27 -0.01 0.00 -1.41 0.00 0.00 60.65 58.99 1vaf s ILE 238 Cb -0.01 -0.32 0.04 0.00 0.13 0.00 0.00 42.46 42.31 1vaf s ILE 238 CO -0.11 -0.15 -0.02 -0.89 -1.91 0.00 0.00 174.94 171.86 1vaf s THR 239 N -0.49 2.90 -0.37 4.00 2.01 0.12 0.12 115.64 123.93 1vaf s THR 239 Ca -0.06 -1.32 -0.21 0.00 0.31 0.00 0.00 61.69 60.41 1vaf s THR 239 Cb -0.04 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1vaf s THR 239 CO 0.01 -0.03 0.68 -0.69 -0.69 0.00 0.00 174.62 173.90 1vaf s VAL 240 N 1.26 4.83 0.66 3.82 1.01 -0.55 -3.08 120.40 128.35 1vaf s VAL 240 Ca -0.04 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1vaf s VAL 240 Cb -0.19 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1vaf s VAL 240 CO -0.02 -0.41 0.93 -0.36 0.00 0.00 0.00 175.10 175.24 1vaf s PHE 241 N 2.85 2.47 0.09 5.22 0.08 -0.85 -0.70 117.98 127.13 1vaf s PHE 241 Ca 0.26 0.06 -0.36 0.00 0.12 0.00 0.00 56.93 57.01 1vaf s PHE 241 Cb -0.14 -3.01 -0.18 0.00 -0.57 0.00 0.00 43.02 39.12 1vaf s PHE 241 CO 0.16 -1.34 1.09 -2.30 -0.10 0.00 0.00 175.22 172.73 1vaf n PRO 242 N -2.71 0.58 -1.66 0.24 -0.02 -1.24 -4.63 135.00 125.54 1vaf n PRO 242 Ca 0.10 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 1vaf n PRO 242 Cb 0.60 -1.68 0.06 0.00 -0.02 0.00 0.00 33.50 32.46 1vaf n PRO 242 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1vaf s GLN 243 N -0.11 2.68 0.36 -0.52 -2.07 -1.26 -4.66 119.66 114.09 1vaf s GLN 243 Ca 0.81 1.37 -0.27 0.00 -1.82 0.00 0.00 55.36 55.45 1vaf s GLN 243 Cb -1.04 -1.94 -0.09 0.00 -1.09 0.00 0.00 33.01 28.85 1vaf s GLN 243 CO 0.53 -1.34 1.24 0.50 -1.32 0.00 0.00 175.29 174.91 1vaf s ARG 244 N -4.22 4.20 0.00 9.60 3.52 0.14 -4.97 118.95 127.22 1vaf s ARG 244 Ca 0.66 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 1vaf s ARG 244 Cb -0.20 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1vaf s ARG 244 CO 0.44 -0.26 0.00 -1.13 -0.81 0.00 0.00 175.30 173.54 1vaf n SER 245 N 0.46 0.00 -0.98 -2.12 3.41 -1.26 -4.73 113.62 108.39 1vaf n SER 245 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.74 1vaf n SER 245 Cb 0.44 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.65 1vaf n SER 245 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vaf n ASP 246 N -0.09 2.91 0.00 4.04 5.68 -1.26 -4.34 116.55 123.49 1vaf n ASP 246 Ca 0.00 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1vaf n ASP 246 Cb 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1vaf n ASP 246 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vaf n GLY 247 N 1.39 0.65 0.60 6.12 0.00 -1.26 -3.26 105.19 109.44 1vaf n GLY 247 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1vaf n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vaf n LYS 248 N -2.00 1.55 -0.17 1.61 5.02 -1.26 -4.10 118.16 118.81 1vaf n LYS 248 Ca 0.00 -1.21 0.07 0.00 -2.02 0.00 0.00 58.31 55.15 1vaf n LYS 248 Cb 0.00 -1.47 0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1vaf n LYS 248 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1vaf n HIS 249 N 0.33 0.00 -1.61 2.13 8.25 -1.26 -4.28 115.22 118.79 1vaf n HIS 249 Ca 0.12 -0.75 -0.46 0.00 -0.26 0.00 0.00 57.72 56.37 1vaf n HIS 249 Cb 0.48 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 1vaf n HIS 249 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1vaf n ASP 250 N -1.08 1.65 -4.81 0.41 8.00 -1.26 -0.68 116.55 118.78 1vaf n ASP 250 Ca 0.12 1.17 -0.38 0.00 0.71 0.00 0.00 54.79 56.40 1vaf n ASP 250 Cb 0.65 -1.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 1vaf n ASP 250 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1vaf s PHE 251 N -0.66 3.69 -0.13 1.24 0.40 -1.26 -1.53 117.98 119.73 1vaf s PHE 251 Ca 0.64 1.01 -0.09 0.00 -0.60 0.00 0.00 56.93 57.89 1vaf s PHE 251 Cb -0.72 -2.38 0.05 0.00 0.51 0.00 0.00 43.02 40.47 1vaf s PHE 251 CO 0.56 0.53 0.33 1.03 0.70 0.00 0.00 175.22 178.37 1vaf s ARG 252 N -0.69 0.33 -0.43 0.44 1.81 -0.39 -3.50 118.95 116.51 1vaf s ARG 252 Ca 0.25 0.59 -0.20 0.00 -1.72 0.00 0.00 55.73 54.65 1vaf s ARG 252 Cb -0.17 0.02 0.02 0.00 -0.45 0.00 0.00 34.95 34.37 1vaf s ARG 252 CO 0.13 -0.12 0.58 -0.51 -0.68 0.00 0.00 175.30 174.70 1vaf s LEU 253 N 0.93 4.60 0.23 2.53 1.02 -1.26 -2.23 118.68 124.49 1vaf s LEU 253 Ca -0.06 -0.42 0.22 0.00 0.02 0.00 0.00 54.13 53.88 1vaf s LEU 253 Cb -0.07 -2.62 0.93 0.00 0.02 0.00 0.00 46.19 44.45 1vaf s LEU 253 CO -0.07 -0.71 1.66 0.79 0.02 0.00 0.00 176.35 178.04 1vaf n TRP 254 N 6.05 0.68 -1.72 0.29 7.02 -0.73 -4.49 117.44 124.55 1vaf n TRP 254 Ca -0.03 0.28 -0.31 0.00 -1.02 0.00 0.00 57.50 56.42 1vaf n TRP 254 Cb 0.48 -0.95 0.05 0.00 -2.42 0.00 0.00 31.31 28.46 1vaf n TRP 254 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1vaf s ASN 255 N -4.04 5.48 -0.08 -0.99 -0.87 -1.26 -4.94 114.94 108.23 1vaf s ASN 255 Ca 0.04 1.39 0.03 0.00 -1.57 0.00 0.00 52.86 52.75 1vaf s ASN 255 Cb 0.09 -2.28 -0.25 0.00 -0.02 0.00 0.00 41.25 38.80 1vaf s ASN 255 CO 0.35 -1.35 0.51 -1.54 -2.57 0.00 0.00 177.10 172.49 1vaf n SER 256 N -3.05 1.52 -4.07 -1.22 3.41 -1.26 -3.58 113.62 105.38 1vaf n SER 256 Ca 0.07 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.84 1vaf n SER 256 Cb 0.55 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.91 1vaf n SER 256 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1vaf s GLN 257 N -2.58 0.57 0.11 4.33 -0.21 -1.26 -1.00 119.66 119.63 1vaf s GLN 257 Ca -0.14 -0.71 -0.31 0.00 0.02 0.00 0.00 55.36 54.22 1vaf s GLN 257 Cb 0.07 -0.41 -0.11 0.00 1.00 0.00 0.00 33.01 33.57 1vaf s GLN 257 CO 0.80 0.09 1.59 -0.07 -2.12 0.00 0.00 175.29 175.57 1vaf h LEU 258 N 4.70 -1.21 -8.74 2.90 4.07 -1.46 -3.40 115.31 112.17 1vaf h LEU 258 Ca -0.35 0.13 -0.64 0.00 0.08 0.00 0.00 57.88 57.09 1vaf h LEU 258 Cb 1.20 0.45 -0.23 0.00 1.08 0.00 0.00 40.66 43.16 1vaf h LEU 258 CO 0.42 -0.49 -0.68 -0.63 -1.08 0.00 0.00 178.44 175.97 1vaf s ILE 259 N -5.92 3.78 -0.20 1.22 1.01 -1.26 -4.88 121.20 114.94 1vaf s ILE 259 Ca -0.16 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 1vaf s ILE 259 Cb 0.07 -2.67 0.12 0.00 0.01 0.00 0.00 42.46 40.00 1vaf s ILE 259 CO 0.63 0.47 1.00 -0.60 0.00 0.00 0.00 174.94 176.45 1vaf s ARG 260 N 0.62 0.57 0.34 2.79 3.52 -1.26 -4.87 118.95 120.67 1vaf s ARG 260 Ca -0.03 0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 55.62 1vaf s ARG 260 Cb -0.14 0.27 -0.09 0.00 -1.56 0.00 0.00 34.95 33.42 1vaf s ARG 260 CO 0.02 -0.14 1.03 0.71 -0.81 0.00 0.00 175.30 176.11 1vaf s TYR 261 N -0.63 3.49 0.68 5.12 2.02 -1.26 -1.40 117.35 125.37 1vaf s TYR 261 Ca -0.00 1.71 -0.15 0.00 -0.37 0.00 0.00 57.07 58.26 1vaf s TYR 261 Cb -0.02 -3.11 0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1vaf s TYR 261 CO -0.01 -0.34 1.13 0.00 -1.57 0.00 0.00 175.55 174.76 1vaf s ALA 262 N -1.50 2.38 -0.26 3.71 0.00 -0.59 -4.59 121.76 120.91 1vaf s ALA 262 Ca 0.52 0.60 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1vaf s ALA 262 Cb -0.24 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1vaf s ALA 262 CO 0.30 -1.43 -0.01 0.20 0.00 0.00 0.00 175.76 174.82 1vaf s GLY 263 N -2.50 1.32 -0.09 0.00 0.00 -1.23 -2.51 107.32 102.31 1vaf s GLY 263 Ca 0.68 -1.55 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1vaf s GLY 263 CO 0.43 1.08 -0.00 -0.19 0.00 0.00 0.00 173.10 174.42 1vaf s TYR 264 N 1.39 3.14 -0.53 1.90 2.02 -0.87 -3.98 117.35 120.41 1vaf s TYR 264 Ca -0.00 0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.74 1vaf s TYR 264 Cb -0.18 -1.80 0.14 0.00 -0.40 0.00 0.00 41.96 39.71 1vaf s TYR 264 CO -0.10 0.42 0.43 -1.14 -1.57 0.00 0.00 175.55 173.59 1vaf s GLN 265 N -0.76 2.71 1.03 -0.62 0.74 -1.26 0.71 119.66 122.22 1vaf s GLN 265 Ca 0.12 -1.88 -0.17 0.00 0.05 0.00 0.00 55.36 53.48 1vaf s GLN 265 Cb -0.12 -4.05 0.04 0.00 1.10 0.00 0.00 33.01 29.98 1vaf s GLN 265 CO 0.02 -1.24 0.01 -1.33 -0.55 0.00 0.00 175.29 172.20 1vaf n MET 266 N 4.79 -0.84 0.25 1.67 2.81 0.85 -4.84 117.12 121.81 1vaf n MET 266 Ca -0.06 -0.22 -0.17 0.00 -1.81 0.00 0.00 57.70 55.45 1vaf n MET 266 Cb 0.41 -1.67 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1vaf n MET 266 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1vaf h PRO 267 N -1.71 -0.82 -0.32 0.03 0.11 -1.98 -2.34 132.00 124.97 1vaf h PRO 267 Ca -0.48 0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1vaf h PRO 267 Cb 1.33 0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 1vaf h PRO 267 CO 0.34 -0.55 0.37 0.38 -0.21 0.00 0.00 178.00 178.34 1vaf h ASP 268 N -0.85 0.00 0.00 -2.05 3.04 -2.05 -3.45 116.42 111.06 1vaf h ASP 268 Ca -0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1vaf h ASP 268 Cb 0.75 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.04 1vaf h ASP 268 CO -0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.75 1vaf n GLY 269 N -1.44 1.10 3.78 7.15 0.00 -0.88 -5.11 105.19 109.79 1vaf n GLY 269 Ca 0.05 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1vaf n GLY 269 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vaf s THR 270 N -0.56 2.12 -0.05 2.61 -4.23 -1.26 -4.55 115.64 109.71 1vaf s THR 270 Ca 0.00 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.49 1vaf s THR 270 Cb 0.00 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1vaf s THR 270 CO 0.00 0.03 0.37 -0.63 -0.54 0.00 0.00 174.62 173.85 1vaf s ILE 271 N -1.13 5.15 -0.08 2.99 1.09 -1.26 -0.11 121.20 127.85 1vaf s ILE 271 Ca 0.53 0.73 -0.01 0.00 -1.10 0.00 0.00 60.65 60.80 1vaf s ILE 271 Cb -0.46 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.24 1vaf s ILE 271 CO 0.62 0.52 -0.02 -0.60 -0.10 0.00 0.00 174.94 175.36 1vaf s ARG 272 N -0.61 2.94 3.03 2.79 6.06 0.22 -4.92 118.95 128.46 1vaf s ARG 272 Ca 0.22 -0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.00 1vaf s ARG 272 Cb -0.15 -2.74 0.00 0.00 0.06 0.00 0.00 34.95 32.12 1vaf s ARG 272 CO 0.10 0.68 0.00 0.41 -2.50 0.00 0.00 175.30 173.99 1vaf n GLY 273 N 2.21 -0.13 3.59 8.12 0.00 -1.26 -2.05 105.19 115.67 1vaf n GLY 273 Ca -0.18 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1vaf n GLY 273 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vaf s ASP 274 N -4.00 6.28 0.32 1.61 3.68 -1.04 -4.77 116.67 118.75 1vaf s ASP 274 Ca 0.00 0.66 -0.01 0.00 2.13 0.00 0.00 52.55 55.33 1vaf s ASP 274 Cb 0.00 -2.54 0.51 0.00 -1.45 0.00 0.00 42.92 39.43 1vaf s ASP 274 CO 0.00 -1.51 1.98 0.00 0.13 0.00 0.00 175.17 175.77 1vaf h ALA 275 N 10.78 1.46 0.00 3.66 0.00 -1.77 -2.99 119.26 130.40 1vaf h ALA 275 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1vaf h ALA 275 Cb 1.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1vaf h ALA 275 CO 1.11 0.50 0.08 0.00 0.00 0.00 0.00 179.25 180.94 1vaf n ALA 276 N -2.42 0.85 -1.04 0.00 0.00 -1.23 -2.08 120.51 114.59 1vaf n ALA 276 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1vaf n ALA 276 Cb 0.03 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 18.81 1vaf n ALA 276 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vaf n THR 277 N -1.48 2.07 0.12 0.00 -2.24 -1.13 -4.81 114.28 106.81 1vaf n THR 277 Ca -0.00 -2.09 -0.15 0.00 -2.27 0.00 0.00 64.05 59.54 1vaf n THR 277 Cb 0.08 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 1vaf n THR 277 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1vaf h LEU 278 N 0.83 -1.30 0.02 3.22 3.38 -1.55 0.21 115.31 120.12 1vaf h LEU 278 Ca 0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1vaf h LEU 278 Cb 1.21 0.49 -0.05 0.00 0.09 0.00 0.00 40.66 42.39 1vaf h LEU 278 CO 0.10 -0.51 -0.34 -0.08 0.09 0.00 0.00 178.44 177.70 1vaf h GLU 279 N -0.68 -0.49 0.34 1.13 4.81 -1.87 0.20 114.58 118.03 1vaf h GLU 279 Ca 0.02 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1vaf h GLU 279 Cb 0.70 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1vaf h GLU 279 CO -0.25 -0.33 -0.17 0.35 -0.73 0.00 0.00 179.01 177.89 1vaf h PHE 280 N -0.51 -0.43 -0.91 0.92 3.57 -1.90 -1.35 116.94 116.33 1vaf h PHE 280 Ca 0.05 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.77 1vaf h PHE 280 Cb 0.59 0.14 -0.12 0.00 2.79 0.00 0.00 35.95 39.34 1vaf h PHE 280 CO -0.35 -0.25 0.42 1.15 -2.23 0.00 0.00 178.31 177.05 1vaf h THR 281 N -0.49 0.48 0.54 4.41 2.02 -0.37 0.14 112.91 119.64 1vaf h THR 281 Ca -0.05 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1vaf h THR 281 Cb 0.37 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1vaf h THR 281 CO 0.08 0.08 -0.28 -0.61 0.37 0.00 0.00 175.52 175.15 1vaf h GLN 282 N 0.42 -0.73 -0.93 6.66 5.75 -0.00 -2.02 115.11 124.26 1vaf h GLN 282 Ca 0.57 0.05 0.20 0.00 -0.15 0.00 0.00 58.65 59.32 1vaf h GLN 282 Cb 1.09 0.17 -0.11 0.00 1.07 0.00 0.00 27.48 29.70 1vaf h GLN 282 CO -0.52 -0.48 0.51 1.25 -2.65 0.00 0.00 178.83 176.93 1vaf h LEU 283 N -0.75 0.58 -1.22 -2.39 6.46 0.27 0.37 115.31 118.62 1vaf h LEU 283 Ca -0.07 0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1vaf h LEU 283 Cb 0.59 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1vaf h LEU 283 CO 0.10 0.16 0.51 0.00 -0.62 0.00 0.00 178.44 178.59 1vaf h ILE 285 N 1.05 1.23 0.00 0.00 2.04 0.39 -0.20 117.51 122.02 1vaf h ILE 285 Ca 0.28 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1vaf h ILE 285 Cb -0.11 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1vaf h ILE 285 CO -0.06 0.27 0.00 0.47 0.00 0.00 0.00 178.15 178.83 1vaf n ASP 286 N -4.57 0.00 -1.46 1.72 8.00 -0.24 -1.54 116.55 118.46 1vaf n ASP 286 Ca -0.01 0.32 -0.04 0.00 0.71 0.00 0.00 54.79 55.78 1vaf n ASP 286 Cb 0.21 -0.41 0.24 0.00 -0.02 0.00 0.00 41.12 41.15 1vaf n ASP 286 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vaf n LEU 287 N -1.41 4.94 0.00 0.64 4.77 -0.28 -4.92 117.00 120.75 1vaf n LEU 287 Ca 0.05 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.63 1vaf n LEU 287 Cb 0.14 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1vaf n LEU 287 CO 0.12 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1vaf n GLY 288 N -0.68 1.71 3.75 -0.72 0.00 -0.59 -4.81 105.19 103.85 1vaf n GLY 288 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1vaf n GLY 288 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1vaf s TRP 289 N -2.61 2.85 -0.50 1.61 -0.00 -0.15 -4.94 118.94 115.19 1vaf s TRP 289 Ca 0.00 0.90 -0.24 0.00 -0.00 0.00 0.00 56.10 56.77 1vaf s TRP 289 Cb 0.00 -3.96 0.04 0.00 -0.00 0.00 0.00 33.47 29.54 1vaf s TRP 289 CO 0.00 -3.18 0.87 0.15 -0.00 0.00 0.00 176.95 174.79 1vaf s LYS 290 N -0.54 3.37 -0.31 5.86 -0.14 -1.26 -4.36 119.74 122.35 1vaf s LYS 290 Ca 0.61 -0.20 -0.27 0.00 -1.36 0.00 0.00 55.97 54.75 1vaf s LYS 290 Cb -0.45 -4.00 -0.05 0.00 -1.68 0.00 0.00 37.83 31.64 1vaf s LYS 290 CO 0.47 -1.32 2.26 -1.25 -0.76 0.00 0.00 175.35 174.75 1vaf s PRO 291 N 3.63 2.81 0.18 -1.68 0.04 -1.26 -4.84 135.00 133.87 1vaf s PRO 291 Ca 0.30 1.80 0.19 0.00 0.04 0.00 0.00 61.00 63.33 1vaf s PRO 291 Cb -0.13 -4.43 0.84 0.00 0.04 0.00 0.00 34.50 30.82 1vaf s PRO 291 CO 0.21 -2.48 1.59 0.54 0.04 0.00 0.00 177.00 176.90 1vaf n ARG 292 N 8.84 0.12 -2.06 4.56 3.00 -1.26 -4.88 116.66 124.98 1vaf n ARG 292 Ca 0.32 0.42 -0.13 0.00 -0.01 0.00 0.00 57.85 58.44 1vaf n ARG 292 Cb 0.48 -1.76 -0.02 0.00 0.00 0.00 0.00 32.46 31.16 1vaf n ARG 292 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1vaf n TYR 293 N -2.00 -1.04 -0.47 -1.55 4.01 -1.26 -4.96 117.16 109.89 1vaf n TYR 293 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1vaf n TYR 293 Cb 0.17 -2.71 0.00 0.00 -0.31 0.00 0.00 39.34 36.49 1vaf n TYR 293 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vaf n GLY 294 N -0.61 0.77 0.00 2.72 0.00 -1.26 -5.03 105.19 101.77 1vaf n GLY 294 Ca -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1vaf n GLY 294 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vaf n ARG 295 N 0.00 0.62 -2.12 1.61 0.63 -1.26 -4.24 116.66 111.91 1vaf n ARG 295 Ca 0.00 -0.28 -0.00 0.00 -0.92 0.00 0.00 57.85 56.65 1vaf n ARG 295 Cb 0.00 -0.75 0.04 0.00 0.45 0.00 0.00 32.46 32.20 1vaf n ARG 295 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1vaf n PHE 296 N -0.17 0.03 -2.42 -0.14 3.72 -1.26 -4.36 117.46 112.86 1vaf n PHE 296 Ca 0.00 -1.32 -0.42 0.00 -0.05 0.00 0.00 57.45 55.66 1vaf n PHE 296 Cb 0.05 0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 1vaf n PHE 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1vaf s ASP 297 N -2.30 6.24 0.09 4.37 1.01 -1.26 -4.88 116.67 119.93 1vaf s ASP 297 Ca 0.21 0.39 -0.34 0.00 0.71 0.00 0.00 52.55 53.53 1vaf s ASP 297 Cb 0.31 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.57 1vaf s ASP 297 CO -0.09 -1.60 1.70 0.52 0.21 0.00 0.00 175.17 175.91 1vaf n VAL 298 N 6.89 0.21 -1.34 -1.27 0.31 -1.26 -1.54 118.33 120.33 1vaf n VAL 298 Ca 0.13 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 64.10 1vaf n VAL 298 Cb 0.49 -1.71 0.09 0.00 -0.91 0.00 0.00 33.84 31.80 1vaf n VAL 298 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1vaf s LEU 299 N 2.02 3.13 0.38 7.52 1.43 -0.49 -4.87 118.68 127.81 1vaf s LEU 299 Ca 0.83 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.72 1vaf s LEU 299 Cb -0.66 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 40.93 1vaf s LEU 299 CO 0.42 -2.08 0.83 -2.16 0.23 0.00 0.00 176.35 173.58 1vaf s PRO 300 N -4.57 4.06 -0.29 1.29 0.04 -1.26 -4.68 135.00 129.59 1vaf s PRO 300 Ca 0.65 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1vaf s PRO 300 Cb -0.20 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1vaf s PRO 300 CO 0.51 0.05 1.26 -1.17 0.04 0.00 0.00 177.00 177.69 1vaf s LEU 301 N -3.18 3.92 -0.58 -3.56 2.96 0.33 -4.78 118.68 113.79 1vaf s LEU 301 Ca 0.57 1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 55.56 1vaf s LEU 301 Cb -0.10 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.20 1vaf s LEU 301 CO 0.18 -1.02 0.51 -0.69 -1.32 0.00 0.00 176.35 174.01 1vaf s VAL 302 N 4.16 5.01 -0.09 1.68 1.01 -1.26 0.94 120.40 131.86 1vaf s VAL 302 Ca 0.54 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 1vaf s VAL 302 Cb -0.16 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1vaf s VAL 302 CO 0.21 -0.88 0.03 -0.76 0.00 0.00 0.00 175.10 173.70 1vaf s LEU 303 N 1.24 3.72 -0.12 3.92 1.43 -0.68 -1.77 118.68 126.43 1vaf s LEU 303 Ca 0.07 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1vaf s LEU 303 Cb -0.25 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1vaf s LEU 303 CO -0.00 0.38 -0.08 -1.58 0.23 0.00 0.00 176.35 175.30 1vaf s GLN 304 N -0.95 1.59 -0.04 1.70 0.74 -0.95 -0.64 119.66 121.12 1vaf s GLN 304 Ca 0.14 -0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.32 1vaf s GLN 304 Cb -0.11 -1.63 -0.02 0.00 1.10 0.00 0.00 33.01 32.34 1vaf s GLN 304 CO 0.03 -0.27 -0.18 0.00 -0.55 0.00 0.00 175.29 174.32 1vaf s ALA 305 N 1.69 2.50 -1.24 1.58 0.00 -1.26 -1.27 121.76 123.76 1vaf s ALA 305 Ca 0.05 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 1vaf s ALA 305 Cb -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1vaf s ALA 305 CO -0.08 0.54 0.65 -3.47 0.00 0.00 0.00 175.76 173.39 1vaf n ASP 306 N 2.39 -3.46 0.00 0.00 2.03 -1.23 -1.28 116.55 115.01 1vaf n ASP 306 Ca -0.17 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1vaf n ASP 306 Cb 0.52 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.90 1vaf n ASP 306 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vaf n GLY 307 N -1.85 0.00 0.00 0.27 0.00 0.14 -4.68 105.19 99.08 1vaf n GLY 307 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1vaf n GLY 307 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vaf n GLN 308 N -1.35 -0.73 -3.19 1.61 -0.06 -0.40 -4.86 117.38 108.40 1vaf n GLN 308 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 1vaf n GLN 308 Cb 0.11 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.27 1vaf n GLN 308 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1vaf s ASP 309 N -1.61 6.32 0.47 1.69 1.11 -1.26 -4.71 116.67 118.68 1vaf s ASP 309 Ca 0.00 0.62 -0.20 0.00 0.18 0.00 0.00 52.55 53.15 1vaf s ASP 309 Cb 0.00 -2.11 -0.09 0.00 1.07 0.00 0.00 42.92 41.79 1vaf s ASP 309 CO 0.00 -0.34 1.00 -2.16 1.18 0.00 0.00 175.17 174.85 1vaf s PRO 310 N -4.26 3.96 -0.07 8.23 0.04 -1.26 -4.58 135.00 137.06 1vaf s PRO 310 Ca 0.43 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1vaf s PRO 310 Cb -0.10 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1vaf s PRO 310 CO 0.37 -0.28 -0.12 -1.21 0.04 0.00 0.00 177.00 175.80 1vaf s GLU 311 N -3.24 1.68 0.36 4.56 2.02 0.19 -4.92 118.70 119.36 1vaf s GLU 311 Ca 0.65 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.99 1vaf s GLU 311 Cb -0.13 -1.43 -0.09 0.00 0.10 0.00 0.00 34.13 32.58 1vaf s GLU 311 CO 0.18 -0.01 1.10 0.08 0.02 0.00 0.00 175.26 176.63 1vaf s VAL 312 N 0.80 3.46 -0.12 2.63 1.01 -1.26 -1.68 120.40 125.23 1vaf s VAL 312 Ca -0.12 1.25 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 1vaf s VAL 312 Cb -0.15 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1vaf s VAL 312 CO 0.02 0.14 0.18 -0.36 0.00 0.00 0.00 175.10 175.07 1vaf s PHE 313 N -1.43 -0.19 0.15 5.22 0.40 0.27 -4.94 117.98 117.46 1vaf s PHE 313 Ca 0.54 0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 57.02 1vaf s PHE 313 Cb -0.28 -0.31 -0.07 0.00 0.51 0.00 0.00 43.02 42.87 1vaf s PHE 313 CO 0.35 -0.38 1.21 -2.00 0.70 0.00 0.00 175.22 175.10 1vaf s GLU 314 N 2.30 4.47 -0.14 0.44 2.56 -1.26 0.12 118.70 127.18 1vaf s GLU 314 Ca 0.04 1.86 -0.29 0.00 0.00 0.00 0.00 54.97 56.57 1vaf s GLU 314 Cb -0.13 -3.27 -0.01 0.00 2.00 0.00 0.00 34.13 32.71 1vaf s GLU 314 CO -0.08 -0.15 1.18 0.42 -0.56 0.00 0.00 175.26 176.07 1vaf s ILE 315 N 0.30 4.40 -0.44 -3.70 1.01 -1.26 -4.89 121.20 116.62 1vaf s ILE 315 Ca 0.55 1.70 -0.37 0.00 0.00 0.00 0.00 60.65 62.52 1vaf s ILE 315 Cb -0.32 -4.09 -0.14 0.00 0.01 0.00 0.00 42.46 37.91 1vaf s ILE 315 CO 0.34 -0.10 2.21 -2.65 0.00 0.00 0.00 174.94 174.75 1vaf n PRO 316 N 6.02 0.67 -0.27 2.79 -0.02 -1.26 -4.79 135.00 138.14 1vaf n PRO 316 Ca 0.12 0.17 0.24 0.00 -2.02 0.00 0.00 63.50 62.01 1vaf n PRO 316 Cb 0.46 -2.13 0.44 0.00 -0.02 0.00 0.00 33.50 32.24 1vaf n PRO 316 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1vaf n PRO 317 N 8.02 -0.05 0.18 0.52 -0.02 -1.26 0.87 135.00 143.25 1vaf n PRO 317 Ca 0.47 1.18 0.13 0.00 -2.02 0.00 0.00 63.50 63.26 1vaf n PRO 317 Cb 0.14 -2.05 0.60 0.00 -0.02 0.00 0.00 33.50 32.17 1vaf n PRO 317 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vaf h ASP 318 N 0.00 0.00 -0.03 2.55 3.32 -2.04 -2.28 116.42 117.94 1vaf h ASP 318 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1vaf h ASP 318 Cb 1.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.24 1vaf h ASP 318 CO -0.68 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.02 1vaf n LEU 319 N -2.42 2.20 -4.20 1.55 4.77 0.25 -4.81 117.00 114.35 1vaf n LEU 319 Ca 0.00 -0.74 -0.37 0.00 -0.03 0.00 0.00 56.01 54.87 1vaf n LEU 319 Cb 0.17 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1vaf n LEU 319 CO 0.17 0.37 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.66 1vaf s VAL 320 N -1.98 3.40 -0.24 4.08 1.01 -0.86 -4.74 120.40 121.07 1vaf s VAL 320 Ca 0.34 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 1vaf s VAL 320 Cb 0.21 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1vaf s VAL 320 CO 0.32 -0.32 0.54 -0.22 0.00 0.00 0.00 175.10 175.42 1vaf s LEU 321 N 1.28 4.09 0.26 3.92 2.96 -1.26 -5.03 118.68 124.90 1vaf s LEU 321 Ca 0.00 0.61 0.11 0.00 -0.22 0.00 0.00 54.13 54.63 1vaf s LEU 321 Cb -0.21 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 1vaf s LEU 321 CO -0.01 -0.26 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.00 1vaf s GLU 322 N 2.11 1.85 -0.11 1.98 2.02 -1.26 -0.64 118.70 124.64 1vaf s GLU 322 Ca 0.23 -1.62 0.04 0.00 0.02 0.00 0.00 54.97 53.64 1vaf s GLU 322 Cb -0.16 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1vaf s GLU 322 CO 0.09 0.35 -0.23 0.08 0.02 0.00 0.00 175.26 175.58 1vaf s VAL 323 N -2.31 2.12 -0.24 2.63 1.01 -0.28 -4.90 120.40 118.43 1vaf s VAL 323 Ca 0.29 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1vaf s VAL 323 Cb -0.06 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1vaf s VAL 323 CO 0.16 0.56 0.62 0.42 0.00 0.00 0.00 175.10 176.85 1vaf s THR 324 N 0.41 5.00 0.34 3.92 -4.23 -1.26 -1.32 115.64 118.49 1vaf s THR 324 Ca -0.17 1.11 -0.28 0.00 -1.18 0.00 0.00 61.69 61.18 1vaf s THR 324 Cb -0.18 -3.92 -0.10 0.00 1.34 0.00 0.00 72.50 69.65 1vaf s THR 324 CO 0.07 0.05 1.21 -0.04 -0.54 0.00 0.00 174.62 175.38 1vaf s MET 325 N 2.36 4.35 -0.27 3.99 -1.94 0.22 -4.90 119.30 123.10 1vaf s MET 325 Ca 0.26 2.01 -0.25 0.00 -1.71 0.00 0.00 55.69 56.00 1vaf s MET 325 Cb -0.16 -3.00 0.10 0.00 2.01 0.00 0.00 34.83 33.79 1vaf s MET 325 CO 0.09 -0.11 0.91 -1.83 -0.01 0.00 0.00 175.02 174.06 1vaf s GLU 326 N -1.83 0.64 -0.02 2.03 -1.05 -1.26 -4.47 118.70 112.75 1vaf s GLU 326 Ca 0.50 0.75 -0.18 0.00 -0.15 0.00 0.00 54.97 55.88 1vaf s GLU 326 Cb -0.35 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.60 1vaf s GLU 326 CO 0.46 -0.08 0.52 -1.58 0.95 0.00 0.00 175.26 175.53 1vaf s HIS 327 N 0.26 3.68 -2.00 4.83 5.65 -1.26 -4.21 115.29 122.23 1vaf s HIS 327 Ca 0.02 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.42 1vaf s HIS 327 Cb -0.05 -2.50 0.00 0.00 -1.18 0.00 0.00 32.58 28.85 1vaf s HIS 327 CO -0.03 0.42 0.33 -0.35 -0.65 0.00 0.00 174.74 174.46 1vaf n PRO 328 N 2.56 0.33 0.00 2.88 -0.04 -1.26 -4.10 135.00 135.37 1vaf n PRO 328 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1vaf n PRO 328 Cb 0.51 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1vaf n PRO 328 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vaf n LYS 329 N -0.50 0.00 -1.53 0.54 4.76 -1.26 -5.02 118.16 115.14 1vaf n LYS 329 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1vaf n LYS 329 Cb 0.00 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.05 1vaf n LYS 329 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1vaf n TYR 330 N -0.84 0.67 0.10 2.13 4.02 -1.26 -4.73 117.16 117.25 1vaf n TYR 330 Ca 0.00 -0.01 0.18 0.00 -0.01 0.00 0.00 57.90 58.06 1vaf n TYR 330 Cb 0.00 -1.72 0.72 0.00 -0.02 0.00 0.00 39.34 38.32 1vaf n TYR 330 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1vaf h GLU 331 N 12.01 0.00 0.00 -0.72 4.81 -1.96 0.17 114.58 128.88 1vaf h GLU 331 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vaf h GLU 331 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1vaf h GLU 331 CO 1.27 0.00 0.00 0.11 -0.73 0.00 0.00 179.01 179.66 1vaf h TRP 332 N 0.00 0.00 0.11 0.92 5.08 -1.95 -3.22 115.95 116.89 1vaf h TRP 332 Ca 0.17 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.14 1vaf h TRP 332 Cb 0.73 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.88 1vaf h TRP 332 CO 0.00 0.00 -0.08 0.35 -1.28 0.00 0.00 178.44 177.43 1vaf h PHE 333 N 0.00 -0.21 -0.48 0.12 3.57 -1.03 -2.23 116.94 116.69 1vaf h PHE 333 Ca 0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1vaf h PHE 333 Cb 0.45 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1vaf h PHE 333 CO 0.00 -0.13 0.44 0.37 -2.23 0.00 0.00 178.31 176.76 1vaf h GLN 334 N -0.19 0.00 0.00 1.11 4.15 -1.72 0.23 115.11 118.68 1vaf h GLN 334 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1vaf h GLN 334 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1vaf h GLN 334 CO -0.01 0.00 0.00 0.93 -1.93 0.00 0.00 178.83 177.82 1vaf h GLU 335 N 0.00 0.00 0.00 1.69 5.08 -1.58 -2.12 114.58 117.65 1vaf h GLU 335 Ca 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1vaf h GLU 335 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1vaf h GLU 335 CO -0.00 0.00 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.73 1vaf h LEU 336 N 0.00 0.00 -2.08 1.33 3.38 -0.63 -3.47 115.31 113.85 1vaf h LEU 336 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1vaf h LEU 336 Cb 0.14 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.00 1vaf h LEU 336 CO 0.00 0.20 -0.48 0.61 0.09 0.00 0.00 178.44 178.86 1vaf n GLY 337 N -0.52 -0.14 3.54 0.83 0.00 -0.80 -5.03 105.19 103.07 1vaf n GLY 337 Ca -0.02 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1vaf n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vaf s LEU 338 N -4.56 3.29 0.14 0.99 1.43 -1.26 -5.05 118.68 113.67 1vaf s LEU 338 Ca 0.09 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1vaf s LEU 338 Cb -0.01 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1vaf s LEU 338 CO 0.44 0.23 0.05 -1.59 0.23 0.00 0.00 176.35 175.71 1vaf s LYS 339 N 0.03 0.98 -0.27 1.70 -2.85 -1.26 0.70 119.74 118.76 1vaf s LYS 339 Ca 0.01 -1.47 -0.24 0.00 -1.00 0.00 0.00 55.97 53.26 1vaf s LYS 339 Cb -0.13 0.15 0.09 0.00 -2.06 0.00 0.00 37.83 35.88 1vaf s LYS 339 CO 0.03 -0.25 0.82 -0.46 0.10 0.00 0.00 175.35 175.58 1vaf s TRP 340 N -3.99 -0.71 0.76 1.78 -0.11 -0.44 -4.91 118.94 111.32 1vaf s TRP 340 Ca 0.25 1.70 -0.14 0.00 1.22 0.00 0.00 56.10 59.13 1vaf s TRP 340 Cb 0.07 0.32 0.06 0.00 -1.50 0.00 0.00 33.47 32.42 1vaf s TRP 340 CO 0.03 -0.34 1.18 1.52 -4.62 0.00 0.00 176.95 174.72 1vaf s TYR 341 N 0.44 2.04 -1.80 5.86 1.13 -1.26 -1.13 117.35 122.64 1vaf s TYR 341 Ca 0.00 1.63 0.24 0.00 -1.41 0.00 0.00 57.07 57.52 1vaf s TYR 341 Cb -0.05 -3.41 0.21 0.00 -1.10 0.00 0.00 41.96 37.61 1vaf s TYR 341 CO -0.03 -2.54 1.22 0.00 -2.51 0.00 0.00 175.55 171.69 1vaf n ALA 342 N -3.00 3.56 -3.64 9.51 0.00 0.18 -4.81 120.51 122.31 1vaf n ALA 342 Ca 0.13 -0.56 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 1vaf n ALA 342 Cb 0.51 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 1vaf n ALA 342 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1vaf s LEU 343 N -2.57 5.54 -0.68 0.00 2.96 -1.26 -4.70 118.68 117.97 1vaf s LEU 343 Ca 0.19 -2.21 -0.26 0.00 -0.22 0.00 0.00 54.13 51.62 1vaf s LEU 343 Cb 0.18 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.97 1vaf s LEU 343 CO 0.60 -0.57 1.20 -2.16 -1.32 0.00 0.00 176.35 174.09 1vaf s PRO 344 N 0.89 3.26 -0.13 0.98 0.04 -1.26 -4.67 135.00 134.11 1vaf s PRO 344 Ca 0.10 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 60.91 1vaf s PRO 344 Cb -0.23 -4.14 0.04 0.00 0.04 0.00 0.00 34.50 30.20 1vaf s PRO 344 CO -0.03 -1.96 -0.03 0.00 0.04 0.00 0.00 177.00 175.02 1vaf s ALA 345 N 5.23 1.11 0.02 8.56 0.00 -1.26 -3.16 121.76 132.26 1vaf s ALA 345 Ca 0.35 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1vaf s ALA 345 Cb -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1vaf s ALA 345 CO 0.17 -0.64 1.09 0.08 0.00 0.00 0.00 175.76 176.45 1vaf s VAL 346 N 1.80 4.46 -0.40 0.00 1.01 -0.18 -1.18 120.40 125.91 1vaf s VAL 346 Ca 0.03 1.77 0.06 0.00 0.00 0.00 0.00 61.98 63.84 1vaf s VAL 346 Cb -0.14 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1vaf s VAL 346 CO -0.07 0.13 0.35 0.00 0.00 0.00 0.00 175.10 175.51 1vaf n ALA 347 N 4.02 2.72 -1.48 5.51 0.00 -0.17 -2.05 120.51 129.06 1vaf n ALA 347 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1vaf n ALA 347 Cb 0.49 -0.22 0.18 0.00 0.00 0.00 0.00 19.45 19.90 1vaf n ALA 347 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1vaf n ASN 348 N -0.82 2.84 -4.72 0.00 2.04 -1.23 -4.33 115.26 109.04 1vaf n ASN 348 Ca 0.02 -3.79 -0.24 0.00 -0.44 0.00 0.00 54.58 50.13 1vaf n ASN 348 Cb 0.11 -0.65 -0.07 0.00 -2.53 0.00 0.00 39.78 36.64 1vaf n ASN 348 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1vaf s MET 349 N -3.30 2.25 -0.11 -3.83 -1.94 -1.26 -4.27 119.30 106.83 1vaf s MET 349 Ca 0.47 -1.75 0.01 0.00 -1.71 0.00 0.00 55.69 52.71 1vaf s MET 349 Cb 0.42 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 35.21 1vaf s MET 349 CO 0.00 -0.02 -0.16 -1.17 -0.01 0.00 0.00 175.02 173.66 1vaf s LEU 350 N -3.87 2.55 -0.30 -0.03 0.20 0.12 -4.36 118.68 112.99 1vaf s LEU 350 Ca 0.39 -0.38 -0.12 0.00 0.69 0.00 0.00 54.13 54.71 1vaf s LEU 350 Cb 0.01 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 1vaf s LEU 350 CO 0.22 0.18 0.24 -0.22 -0.29 0.00 0.00 176.35 176.49 1vaf s LEU 351 N 0.23 4.18 -0.28 -0.68 2.96 -0.79 0.54 118.68 124.84 1vaf s LEU 351 Ca -0.11 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1vaf s LEU 351 Cb -0.16 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1vaf s LEU 351 CO 0.06 -0.14 0.04 -0.70 -1.32 0.00 0.00 176.35 174.29 1vaf s GLU 352 N 1.82 3.02 -0.07 1.98 -6.30 0.12 -1.05 118.70 118.22 1vaf s GLU 352 Ca 0.08 -0.89 0.00 0.00 -2.50 0.00 0.00 54.97 51.66 1vaf s GLU 352 Cb -0.16 -3.26 0.02 0.00 0.00 0.00 0.00 34.13 30.73 1vaf s GLU 352 CO 0.11 -0.43 -0.05 0.54 0.02 0.00 0.00 175.26 175.45 1vaf s VAL 353 N 1.45 0.67 -1.34 3.70 0.11 -0.50 -1.25 120.40 123.24 1vaf s VAL 353 Ca 0.02 -0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 58.86 1vaf s VAL 353 Cb -0.17 -0.73 0.06 0.00 -1.53 0.00 0.00 36.38 34.01 1vaf s VAL 353 CO 0.01 0.29 0.51 0.61 -3.33 0.00 0.00 175.10 173.18 1vaf n GLY 354 N 4.59 -0.49 0.17 6.54 0.00 -1.26 -1.19 105.19 113.55 1vaf n GLY 354 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vaf n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vaf n GLY 355 N -1.25 3.07 3.87 -0.02 0.00 -1.26 -2.17 105.19 107.44 1vaf n GLY 355 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1vaf n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vaf s LEU 356 N 0.00 3.25 -0.03 0.99 1.43 -0.33 -4.99 118.68 119.00 1vaf s LEU 356 Ca 0.00 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1vaf s LEU 356 Cb 0.00 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.81 1vaf s LEU 356 CO 0.00 -0.86 -0.00 -1.61 0.23 0.00 0.00 176.35 174.11 1vaf s GLU 357 N -5.16 0.29 -0.35 1.70 2.02 -1.26 -1.41 118.70 114.54 1vaf s GLU 357 Ca 0.55 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.60 1vaf s GLU 357 Cb -0.11 -0.46 0.09 0.00 0.10 0.00 0.00 34.13 33.75 1vaf s GLU 357 CO 0.53 -0.12 0.08 -0.06 0.02 0.00 0.00 175.26 175.72 1vaf s PHE 358 N 0.93 3.55 -2.00 1.61 0.40 -0.22 0.26 117.98 122.50 1vaf s PHE 358 Ca -0.09 -2.48 0.30 0.00 -0.60 0.00 0.00 56.93 54.06 1vaf s PHE 358 Cb -0.13 -2.77 1.80 0.00 0.51 0.00 0.00 43.02 42.44 1vaf s PHE 358 CO -0.02 -0.92 2.14 -0.35 0.70 0.00 0.00 175.22 176.78 1vaf n PRO 359 N 4.47 0.97 -3.83 0.24 -0.04 -1.26 -1.88 135.00 133.68 1vaf n PRO 359 Ca -0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 1vaf n PRO 359 Cb 0.42 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 1vaf n PRO 359 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vaf s ALA 360 N -2.00 1.42 -0.44 0.55 0.00 -1.23 -4.56 121.76 115.50 1vaf s ALA 360 Ca 0.45 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1vaf s ALA 360 Cb 0.21 -1.28 0.22 0.00 0.00 0.00 0.00 23.12 22.27 1vaf s ALA 360 CO 0.35 -1.16 0.93 0.00 0.00 0.00 0.00 175.76 175.88 1vaf n PRO 362 N 2.44 2.78 -4.06 0.00 -0.02 -1.18 -4.68 135.00 130.28 1vaf n PRO 362 Ca 0.13 0.99 -0.13 0.00 -2.02 0.00 0.00 63.50 62.47 1vaf n PRO 362 Cb 0.62 -2.82 -0.13 0.00 -0.02 0.00 0.00 33.50 31.15 1vaf n PRO 362 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1vaf s PHE 363 N 0.60 0.45 0.16 6.00 -0.12 -0.87 -0.71 117.98 123.49 1vaf s PHE 363 Ca 0.69 -0.28 -0.03 0.00 -0.05 0.00 0.00 56.93 57.26 1vaf s PHE 363 Cb -0.49 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.58 1vaf s PHE 363 CO 0.40 -0.06 0.15 0.54 -0.05 0.00 0.00 175.22 176.20 1vaf s ASN 364 N -0.81 0.19 0.00 1.98 4.22 -0.41 -1.01 114.94 119.10 1vaf s ASN 364 Ca -0.05 -1.16 0.00 0.00 -2.14 0.00 0.00 52.86 49.51 1vaf s ASN 364 Cb -0.06 0.36 0.00 0.00 1.28 0.00 0.00 41.25 42.84 1vaf s ASN 364 CO -0.00 -0.81 0.00 0.61 -2.04 0.00 0.00 177.10 174.86 1vaf n GLY 365 N -0.18 4.52 3.49 0.45 0.00 -1.19 -2.39 105.19 109.90 1vaf n GLY 365 Ca -0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1vaf n GLY 365 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1vaf s TRP 366 N 0.78 2.12 0.63 1.61 -2.14 -1.26 -4.36 118.94 116.32 1vaf s TRP 366 Ca 0.00 -0.83 -0.14 0.00 2.66 0.00 0.00 56.10 57.80 1vaf s TRP 366 Cb 0.00 -1.39 -0.02 0.00 -3.10 0.00 0.00 33.47 28.96 1vaf s TRP 366 CO 0.00 0.18 1.05 0.71 -2.66 0.00 0.00 176.95 176.24 1vaf s TYR 367 N -3.08 3.09 -0.20 1.66 2.02 -1.26 -4.92 117.35 114.66 1vaf s TYR 367 Ca 0.35 1.47 -0.01 0.00 -0.37 0.00 0.00 57.07 58.50 1vaf s TYR 367 Cb 0.08 -2.93 0.01 0.00 -0.40 0.00 0.00 41.96 38.72 1vaf s TYR 367 CO 0.16 -1.11 -0.13 1.41 -1.57 0.00 0.00 175.55 174.31 1vaf s MET 368 N -4.51 3.16 0.05 -0.62 1.75 -1.26 -2.09 119.30 115.79 1vaf s MET 368 Ca 0.61 -0.74 -0.10 0.00 -1.25 0.00 0.00 55.69 54.21 1vaf s MET 368 Cb -0.15 -2.76 -0.02 0.00 2.84 0.00 0.00 34.83 34.74 1vaf s MET 368 CO 0.45 -0.20 0.63 0.41 -0.65 0.00 0.00 175.02 175.66 1vaf n GLY 369 N 4.67 -1.23 0.39 2.11 0.00 0.29 0.16 105.19 111.59 1vaf n GLY 369 Ca -0.20 0.46 0.19 0.00 0.00 0.00 0.00 46.02 46.47 1vaf n GLY 369 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1vaf h THR 370 N 0.00 0.19 0.51 2.61 1.35 -1.94 0.07 112.91 115.71 1vaf h THR 370 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 1vaf h THR 370 Cb 0.14 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1vaf h THR 370 CO -0.31 0.00 -0.44 -0.33 -0.25 0.00 0.00 175.52 174.19 1vaf h GLU 371 N 0.00 -0.91 0.16 4.72 5.08 0.12 -1.19 114.58 122.55 1vaf h GLU 371 Ca 0.18 0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 1vaf h GLU 371 Cb 1.33 0.21 0.02 0.00 0.50 0.00 0.00 28.75 30.80 1vaf h GLU 371 CO -0.00 -0.61 -1.01 0.82 -1.00 0.00 0.00 179.01 177.21 1vaf h ILE 372 N -0.95 1.41 0.90 3.13 2.04 -1.48 -2.15 117.51 120.40 1vaf h ILE 372 Ca -0.06 -2.55 -0.04 0.00 1.00 0.00 0.00 64.86 63.21 1vaf h ILE 372 Cb 0.81 3.11 0.01 0.00 -0.74 0.00 0.00 36.82 40.01 1vaf h ILE 372 CO -0.02 0.73 -0.43 1.23 0.00 0.00 0.00 178.15 179.66 1vaf h GLY 373 N -0.22 -1.26 0.29 5.37 0.00 -1.05 -2.21 103.07 103.99 1vaf h GLY 373 Ca -0.18 0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 1vaf h GLY 373 CO 0.16 -0.46 -0.49 -2.08 0.00 0.00 0.00 176.54 173.67 1vaf h VAL 374 N -1.31 1.58 0.00 4.60 2.07 -1.43 -3.31 116.25 118.44 1vaf h VAL 374 Ca -0.12 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1vaf h VAL 374 Cb 0.92 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1vaf h VAL 374 CO 0.20 0.63 0.00 0.54 0.02 0.00 0.00 177.57 178.97 1vaf n ARG 375 N -4.37 0.00 -0.34 1.57 5.12 -1.03 -2.83 116.66 114.79 1vaf n ARG 375 Ca -0.14 0.25 0.10 0.00 -1.93 0.00 0.00 57.85 56.13 1vaf n ARG 375 Cb 0.65 -0.72 0.22 0.00 -1.16 0.00 0.00 32.46 31.44 1vaf n ARG 375 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1vaf h ASP 376 N 0.00 -0.63 0.00 0.55 3.32 -1.46 -0.52 116.42 117.68 1vaf h ASP 376 Ca 0.00 0.28 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1vaf h ASP 376 Cb 0.00 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1vaf h ASP 376 CO 0.00 -0.33 -0.44 -0.26 -1.72 0.00 0.00 179.24 176.50 1vaf h PHE 377 N 0.01 0.00 0.00 4.55 0.04 -1.56 -2.45 116.94 117.53 1vaf h PHE 377 Ca 0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 1vaf h PHE 377 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1vaf h PHE 377 CO -0.59 0.54 0.00 0.00 -0.60 0.00 0.00 178.31 177.66 1vaf n ASP 379 N -2.73 3.75 0.26 0.00 9.92 -0.21 -4.51 116.55 123.03 1vaf n ASP 379 Ca 0.02 1.22 0.15 0.00 -0.53 0.00 0.00 54.79 55.65 1vaf n ASP 379 Cb 0.35 -1.61 0.65 0.00 -0.64 0.00 0.00 41.12 39.86 1vaf n ASP 379 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1vaf h THR 380 N 2.96 0.26 -0.42 -3.53 1.35 -1.89 -1.63 112.91 110.00 1vaf h THR 380 Ca -0.50 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1vaf h THR 380 Cb 1.24 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1vaf h THR 380 CO 0.65 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 1vaf n GLN 381 N -3.27 2.02 0.00 4.72 0.00 -1.26 -4.62 117.38 114.97 1vaf n GLN 381 Ca -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 57.00 55.42 1vaf n GLN 381 Cb 0.32 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1vaf n GLN 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1vaf n ARG 382 N 0.78 0.00 -0.13 2.61 5.12 -0.79 -3.58 116.66 120.68 1vaf n ARG 382 Ca 0.15 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.19 1vaf n ARG 382 Cb 0.38 0.00 0.28 0.00 -1.16 0.00 0.00 32.46 31.96 1vaf n ARG 382 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1vaf n TYR 383 N 0.00 0.34 -0.51 -1.55 4.02 -0.92 -4.08 117.16 114.45 1vaf n TYR 383 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1vaf n TYR 383 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1vaf n TYR 383 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1vaf n ASN 384 N 0.97 0.00 0.07 7.72 2.85 -0.08 -4.73 115.26 122.06 1vaf n ASN 384 Ca 0.18 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.68 1vaf n ASN 384 Cb 0.49 -0.35 0.20 0.00 1.24 0.00 0.00 39.78 41.36 1vaf n ASN 384 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1vaf n ILE 385 N -0.51 1.33 -0.03 -1.44 -5.35 -0.98 -3.74 119.36 108.63 1vaf n ILE 385 Ca 0.00 0.60 -0.09 0.00 -0.27 0.00 0.00 62.75 62.99 1vaf n ILE 385 Cb 0.00 -1.60 -0.03 0.00 -1.74 0.00 0.00 39.64 36.27 1vaf n ILE 385 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1vaf h LEU 386 N 0.00 -0.27 -1.67 7.28 7.12 -1.81 -1.37 115.31 124.59 1vaf h LEU 386 Ca 0.00 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 1vaf h LEU 386 Cb 0.20 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1vaf h LEU 386 CO 0.00 -0.11 -0.19 -0.08 -0.13 0.00 0.00 178.44 177.93 1vaf h GLU 387 N -0.06 0.00 0.20 1.25 4.22 -1.94 -2.65 114.58 115.60 1vaf h GLU 387 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 1vaf h GLU 387 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1vaf h GLU 387 CO -0.22 0.19 -0.10 1.49 -2.18 0.00 0.00 179.01 178.20 1vaf h GLU 388 N 0.00 -0.26 -0.29 1.92 4.57 -1.64 -3.11 114.58 115.77 1vaf h GLU 388 Ca -0.00 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.28 1vaf h GLU 388 Cb 0.37 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1vaf h GLU 388 CO 0.02 0.14 0.25 0.28 -1.18 0.00 0.00 179.01 178.52 1vaf h VAL 389 N -0.85 0.65 0.52 0.32 2.07 -1.19 -1.98 116.25 115.78 1vaf h VAL 389 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1vaf h VAL 389 Cb 0.52 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1vaf h VAL 389 CO 0.04 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 178.62 1vaf h GLY 390 N 0.00 -0.73 0.06 2.17 0.00 -1.44 -3.10 103.07 100.03 1vaf h GLY 390 Ca 0.14 0.27 0.12 0.00 0.00 0.00 0.00 47.33 47.86 1vaf h GLY 390 CO -0.00 -0.26 0.03 3.21 0.00 0.00 0.00 176.54 179.52 1vaf h ARG 391 N -0.77 0.15 -0.50 4.80 3.08 -1.30 0.98 114.38 120.81 1vaf h ARG 391 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1vaf h ARG 391 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1vaf h ARG 391 CO 0.12 0.10 0.00 0.54 -1.07 0.00 0.00 179.97 179.65 1vaf n ARG 392 N -5.23 0.60 0.00 0.04 1.74 -1.11 0.99 116.66 113.69 1vaf n ARG 392 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1vaf n ARG 392 Cb 0.33 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1vaf n ARG 392 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1vaf n MET 393 N 0.09 -0.05 -3.33 5.56 2.81 0.30 -5.01 117.12 117.48 1vaf n MET 393 Ca 0.00 -0.25 -0.17 0.00 -1.81 0.00 0.00 57.70 55.47 1vaf n MET 393 Cb 0.13 -0.72 0.07 0.00 -0.71 0.00 0.00 33.22 31.98 1vaf n MET 393 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vaf n GLY 394 N 0.06 -1.03 3.70 3.03 0.00 0.28 -5.02 105.19 106.21 1vaf n GLY 394 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 1vaf n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vaf s LEU 395 N -5.66 3.47 -0.30 0.99 1.43 -1.10 -4.99 118.68 112.52 1vaf s LEU 395 Ca 0.39 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1vaf s LEU 395 Cb -0.06 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1vaf s LEU 395 CO 0.75 0.13 1.37 -0.62 0.23 0.00 0.00 176.35 178.22 1vaf n GLU 396 N 0.23 0.72 -0.30 1.70 1.02 -1.26 -4.64 120.64 118.11 1vaf n GLU 396 Ca -0.10 -0.79 0.33 0.00 -0.02 0.00 0.00 57.16 56.57 1vaf n GLU 396 Cb 0.53 -2.12 0.53 0.00 -0.02 0.00 0.00 31.44 30.36 1vaf n GLU 396 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1vaf h THR 397 N 3.72 0.02 -0.54 2.62 2.02 -1.94 1.42 112.91 120.24 1vaf h THR 397 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1vaf h THR 397 Cb 0.07 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1vaf h THR 397 CO 1.10 0.00 0.00 1.41 0.37 0.00 0.00 175.52 178.40 1vaf n HIS 398 N -3.41 1.66 -3.67 3.16 8.25 -1.26 -4.65 115.22 115.30 1vaf n HIS 398 Ca 0.27 -0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 56.73 1vaf n HIS 398 Cb 1.59 -0.38 -0.12 0.00 1.12 0.00 0.00 29.99 32.19 1vaf n HIS 398 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1vaf s THR 399 N -2.43 1.29 0.18 1.59 2.01 0.49 -4.99 115.64 113.78 1vaf s THR 399 Ca 0.51 -2.65 -0.19 0.00 0.31 0.00 0.00 61.69 59.67 1vaf s THR 399 Cb 0.37 -1.90 0.12 0.00 0.01 0.00 0.00 72.50 71.10 1vaf s THR 399 CO 0.18 -0.96 1.62 0.25 -0.69 0.00 0.00 174.62 175.02 1vaf h LEU 400 N 6.50 -0.76 0.00 4.42 5.85 -1.83 -0.92 115.31 128.58 1vaf h LEU 400 Ca 0.05 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1vaf h LEU 400 Cb 0.91 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1vaf h LEU 400 CO 0.47 -0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.32 1vaf n ALA 401 N -2.94 1.45 1.30 1.25 0.00 -1.26 -1.99 120.51 118.32 1vaf n ALA 401 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1vaf n ALA 401 Cb 0.31 -0.97 0.35 0.00 0.00 0.00 0.00 19.45 19.14 1vaf n ALA 401 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vaf n SER 402 N -0.79 1.96 -1.68 0.00 3.41 -0.35 -4.94 113.62 111.24 1vaf n SER 402 Ca 0.00 -1.61 -0.20 0.00 -0.26 0.00 0.00 58.87 56.80 1vaf n SER 402 Cb 0.00 0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 1vaf n SER 402 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vaf n LEU 403 N 0.47 -1.51 -0.01 1.04 4.77 -0.84 -4.86 117.00 116.06 1vaf n LEU 403 Ca 0.16 0.44 0.10 0.00 -0.03 0.00 0.00 56.01 56.68 1vaf n LEU 403 Cb 0.44 -2.78 0.52 0.00 -2.33 0.00 0.00 43.42 39.27 1vaf n LEU 403 CO 0.17 -0.95 1.17 4.11 -1.33 0.00 0.00 177.39 180.56 1vaf h TRP 404 N 0.00 0.35 -0.76 -1.77 5.08 -1.82 -0.72 115.95 116.31 1vaf h TRP 404 Ca -0.42 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.53 1vaf h TRP 404 Cb 1.31 -0.12 -0.03 0.00 -3.00 0.00 0.00 29.16 27.32 1vaf h TRP 404 CO 0.56 0.19 0.34 0.87 -1.28 0.00 0.00 178.44 179.12 1vaf h LYS 405 N 0.35 1.12 -0.91 0.12 1.57 -1.89 -0.46 116.57 116.47 1vaf h LYS 405 Ca 0.21 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1vaf h LYS 405 Cb 0.37 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1vaf h LYS 405 CO -0.05 0.89 0.54 -0.44 -0.57 0.00 0.00 179.45 179.82 1vaf h ASP 406 N 1.09 1.10 -0.21 0.86 5.19 -1.54 -0.89 116.42 122.01 1vaf h ASP 406 Ca 0.26 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1vaf h ASP 406 Cb 0.16 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1vaf h ASP 406 CO -0.03 0.85 0.10 0.03 -3.12 0.00 0.00 179.24 177.08 1vaf h ARG 407 N 1.26 0.31 0.48 3.56 2.47 -0.70 -3.10 114.38 118.65 1vaf h ARG 407 Ca 0.33 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 1vaf h ARG 407 Cb -0.04 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1vaf h ARG 407 CO -0.06 0.33 -0.23 0.00 0.56 0.00 0.00 179.97 180.57 1vaf h ALA 408 N 0.96 -0.65 -1.02 0.04 0.00 -0.85 -3.21 119.26 114.54 1vaf h ALA 408 Ca 0.07 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.08 1vaf h ALA 408 Cb 0.12 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1vaf h ALA 408 CO -0.01 -0.69 0.72 -0.24 0.00 0.00 0.00 179.25 179.04 1vaf h VAL 409 N -1.00 0.50 -0.06 0.00 3.04 -1.26 -0.52 116.25 116.94 1vaf h VAL 409 Ca -0.07 -0.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.57 1vaf h VAL 409 Cb 0.59 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1vaf h VAL 409 CO 0.11 0.01 -0.07 0.74 -1.01 0.00 0.00 177.57 177.35 1vaf h THR 410 N 0.07 1.38 -0.96 3.17 2.02 -1.55 -2.11 112.91 114.92 1vaf h THR 410 Ca 0.50 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1vaf h THR 410 Cb 1.86 2.06 -0.05 0.00 -1.74 0.00 0.00 68.15 70.29 1vaf h THR 410 CO -0.05 0.34 0.64 -0.33 0.37 0.00 0.00 175.52 176.49 1vaf h GLU 411 N -0.29 1.22 -0.62 6.66 4.39 -1.14 0.14 114.58 124.95 1vaf h GLU 411 Ca 0.01 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1vaf h GLU 411 Cb 0.58 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1vaf h GLU 411 CO 0.02 0.81 0.36 0.82 -1.16 0.00 0.00 179.01 179.86 1vaf h ILE 412 N 1.26 1.19 -0.41 3.13 2.04 -1.25 0.18 117.51 123.66 1vaf h ILE 412 Ca 0.37 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1vaf h ILE 412 Cb -0.07 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1vaf h ILE 412 CO -0.10 0.20 0.08 0.78 0.00 0.00 0.00 178.15 179.11 1vaf h ASN 413 N 0.85 0.56 0.41 1.72 -0.26 -0.54 -0.84 115.58 117.48 1vaf h ASN 413 Ca 0.22 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 1vaf h ASN 413 Cb 0.01 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1vaf h ASN 413 CO -0.04 0.58 -0.20 0.58 -1.06 0.00 0.00 177.43 177.30 1vaf h VAL 414 N 0.59 0.58 -0.17 2.81 2.07 0.69 -2.12 116.25 120.70 1vaf h VAL 414 Ca 0.13 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1vaf h VAL 414 Cb 0.26 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1vaf h VAL 414 CO 0.00 0.06 -0.39 0.00 0.02 0.00 0.00 177.57 177.26 1vaf h ALA 415 N -0.25 -0.50 -0.47 1.67 0.00 -0.39 0.25 119.26 119.56 1vaf h ALA 415 Ca -0.06 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1vaf h ALA 415 Cb 0.52 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1vaf h ALA 415 CO 0.09 -0.88 -0.24 0.28 0.00 0.00 0.00 179.25 178.50 1vaf h VAL 416 N -0.44 0.32 -0.37 0.00 2.07 -1.15 0.28 116.25 116.96 1vaf h VAL 416 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1vaf h VAL 416 Cb 0.60 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1vaf h VAL 416 CO -0.41 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.21 1vaf h LEU 417 N -0.14 0.55 0.22 2.57 3.38 -0.71 -2.63 115.31 118.54 1vaf h LEU 417 Ca 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1vaf h LEU 417 Cb 0.48 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1vaf h LEU 417 CO -0.55 0.62 -0.11 -0.74 0.09 0.00 0.00 178.44 177.75 1vaf h HIS 418 N 0.44 -0.28 -0.42 1.13 2.76 0.12 -2.00 115.15 116.92 1vaf h HIS 418 Ca 0.12 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1vaf h HIS 418 Cb 0.28 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.26 1vaf h HIS 418 CO 0.01 -0.13 0.02 0.77 -1.30 0.00 0.00 177.93 177.30 1vaf h SER 419 N -0.35 -0.14 -0.49 3.26 0.02 -0.48 0.88 113.55 116.25 1vaf h SER 419 Ca -0.03 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1vaf h SER 419 Cb 0.27 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1vaf h SER 419 CO 0.05 -0.03 0.28 -0.26 -1.14 0.00 0.00 176.83 175.73 1vaf h PHE 420 N 0.13 0.66 -0.56 3.45 -1.00 -1.42 -1.83 116.94 116.36 1vaf h PHE 420 Ca 0.21 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.94 1vaf h PHE 420 Cb 0.29 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 1vaf h PHE 420 CO -0.26 0.47 0.20 1.96 -1.61 0.00 0.00 178.31 179.07 1vaf h GLN 421 N 0.65 0.86 -0.31 1.51 4.20 -0.84 0.57 115.11 121.75 1vaf h GLN 421 Ca 0.17 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1vaf h GLN 421 Cb 0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1vaf h GLN 421 CO -0.03 0.76 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.64 1vaf h LYS 422 N 0.78 0.48 -0.52 1.46 3.64 -0.67 -2.18 116.57 119.56 1vaf h LYS 422 Ca 0.18 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1vaf h LYS 422 Cb 0.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1vaf h LYS 422 CO -0.01 0.54 0.00 1.04 -2.27 0.00 0.00 179.45 178.74 1vaf n GLN 423 N -4.27 2.25 -3.52 1.90 6.02 -0.70 -4.96 117.38 114.09 1vaf n GLN 423 Ca 0.01 -1.93 -0.26 0.00 -0.01 0.00 0.00 57.00 54.81 1vaf n GLN 423 Cb 0.26 -1.42 0.04 0.00 1.02 0.00 0.00 30.24 30.13 1vaf n GLN 423 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1vaf n ASN 424 N 1.08 -5.48 -4.51 1.08 3.02 -0.67 -4.99 115.26 104.78 1vaf n ASN 424 Ca 0.18 -0.53 -0.37 0.00 -0.03 0.00 0.00 54.58 53.83 1vaf n ASN 424 Cb 0.46 -4.38 -0.12 0.00 -0.61 0.00 0.00 39.78 35.13 1vaf n ASN 424 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1vaf s VAL 425 N -3.22 4.69 -0.12 2.41 1.01 0.10 -4.31 120.40 120.96 1vaf s VAL 425 Ca 0.52 -0.05 -0.40 0.00 0.00 0.00 0.00 61.98 62.05 1vaf s VAL 425 Cb -0.25 -3.20 -0.18 0.00 0.00 0.00 0.00 36.38 32.75 1vaf s VAL 425 CO 0.64 0.32 1.39 0.41 0.00 0.00 0.00 175.10 177.86 1vaf n THR 426 N 4.84 0.06 -3.62 3.92 -1.04 -0.55 -4.37 114.28 113.53 1vaf n THR 426 Ca -0.15 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.74 1vaf n THR 426 Cb 0.52 -0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 68.38 1vaf n THR 426 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1vaf s ILE 427 N 1.41 0.05 -0.02 12.58 2.07 -1.26 -4.38 121.20 131.65 1vaf s ILE 427 Ca 0.93 -0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 59.63 1vaf s ILE 427 Cb -1.16 -1.22 0.02 0.00 0.13 0.00 0.00 42.46 40.22 1vaf s ILE 427 CO 0.60 -0.23 0.04 -0.32 -1.91 0.00 0.00 174.94 173.12 1vaf s MET 428 N -3.81 0.01 0.64 3.50 -2.45 -0.89 -5.02 119.30 111.28 1vaf s MET 428 Ca 0.04 0.12 -0.11 0.00 -1.25 0.00 0.00 55.69 54.49 1vaf s MET 428 Cb 0.01 -0.10 -0.03 0.00 1.25 0.00 0.00 34.83 35.96 1vaf s MET 428 CO -0.10 -0.08 1.04 0.16 1.05 0.00 0.00 175.02 177.09 1vaf s ASP 429 N 0.50 6.05 0.41 1.11 1.47 -1.26 -0.55 116.67 124.40 1vaf s ASP 429 Ca -0.04 1.39 0.19 0.00 1.18 0.00 0.00 52.55 55.27 1vaf s ASP 429 Cb -0.06 -2.39 0.89 0.00 -0.34 0.00 0.00 42.92 41.02 1vaf s ASP 429 CO -0.02 -0.98 1.85 1.12 0.68 0.00 0.00 175.17 177.82 1vaf h HIS 430 N -0.40 0.00 -0.12 2.11 -0.00 -1.97 0.92 115.15 115.69 1vaf h HIS 430 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 59.85 1vaf h HIS 430 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 1vaf h HIS 430 CO 0.63 0.31 -0.25 0.45 -0.00 0.00 0.00 177.93 179.08 1vaf h HIS 431 N 0.00 0.48 -0.17 6.12 3.86 -1.97 0.10 115.15 123.56 1vaf h HIS 431 Ca -0.00 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1vaf h HIS 431 Cb 0.67 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1vaf h HIS 431 CO 0.00 0.86 -0.01 1.15 0.86 0.00 0.00 177.93 180.79 1vaf h THR 432 N -0.05 1.26 -0.19 2.45 2.02 -1.93 -0.16 112.91 116.31 1vaf h THR 432 Ca 0.00 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.34 1vaf h THR 432 Cb 0.84 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 1vaf h THR 432 CO 0.05 0.27 -0.09 0.00 0.37 0.00 0.00 175.52 176.12 1vaf h ALA 433 N 0.76 0.08 -0.63 6.16 0.00 -0.83 -0.29 119.26 124.51 1vaf h ALA 433 Ca 0.05 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1vaf h ALA 433 Cb 0.40 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1vaf h ALA 433 CO 0.01 -0.51 0.31 1.03 0.00 0.00 0.00 179.25 180.09 1vaf h SER 434 N -0.06 0.42 -0.33 0.00 0.87 -0.64 -1.94 113.55 111.86 1vaf h SER 434 Ca 0.10 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1vaf h SER 434 Cb 0.22 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1vaf h SER 434 CO -0.23 0.26 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.11 1vaf h GLU 435 N 0.56 0.78 0.02 2.24 4.81 -0.38 -3.01 114.58 119.60 1vaf h GLU 435 Ca 0.30 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vaf h GLU 435 Cb 0.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1vaf h GLU 435 CO -0.22 0.88 -0.01 0.77 -0.73 0.00 0.00 179.01 179.69 1vaf h SER 436 N 0.70 -0.03 -0.45 1.04 0.02 -0.38 -2.75 113.55 111.71 1vaf h SER 436 Ca 0.11 -0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1vaf h SER 436 Cb 0.63 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.08 1vaf h SER 436 CO 0.04 0.06 -0.27 0.15 -1.14 0.00 0.00 176.83 175.67 1vaf h PHE 437 N -0.11 -0.72 -0.60 3.45 3.57 -1.29 0.98 116.94 122.22 1vaf h PHE 437 Ca -0.00 0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.67 1vaf h PHE 437 Cb 0.10 0.38 -0.12 0.00 2.79 0.00 0.00 35.95 39.11 1vaf h PHE 437 CO -0.05 -0.34 -0.21 0.52 -2.23 0.00 0.00 178.31 175.99 1vaf h MET 438 N -0.18 -0.06 -0.37 1.11 2.86 -1.40 0.92 114.93 117.81 1vaf h MET 438 Ca 0.20 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1vaf h MET 438 Cb 0.50 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1vaf h MET 438 CO -0.55 -0.04 0.01 -0.22 1.06 0.00 0.00 176.91 177.16 1vaf h LYS 439 N -0.06 0.10 0.47 1.72 1.63 -0.70 0.18 116.57 119.91 1vaf h LYS 439 Ca 0.28 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1vaf h LYS 439 Cb 0.50 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1vaf h LYS 439 CO -0.65 0.07 -0.41 1.25 -3.45 0.00 0.00 179.45 176.25 1vaf h HIS 440 N 0.11 -1.14 -1.14 1.91 2.76 0.17 -2.12 115.15 115.70 1vaf h HIS 440 Ca 0.18 0.00 0.34 0.00 -2.20 0.00 0.00 60.37 58.69 1vaf h HIS 440 Cb 0.25 0.44 -0.11 0.00 1.55 0.00 0.00 27.41 29.53 1vaf h HIS 440 CO -0.25 -0.56 0.72 1.98 -1.30 0.00 0.00 177.93 178.52 1vaf h MET 441 N -0.87 0.26 -0.10 5.26 1.85 0.12 0.36 114.93 121.82 1vaf h MET 441 Ca -0.06 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 1vaf h MET 441 Cb 0.74 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.70 1vaf h MET 441 CO -0.02 0.17 0.01 1.96 -0.40 0.00 0.00 176.91 178.63 1vaf h GLN 442 N 0.27 0.17 -0.84 0.39 7.50 -0.54 -2.11 115.11 119.96 1vaf h GLN 442 Ca 0.70 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.80 1vaf h GLN 442 Cb 1.92 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 29.40 1vaf h GLN 442 CO -0.38 0.41 0.55 -0.91 -1.50 0.00 0.00 178.83 177.00 1vaf h ASN 443 N -0.08 0.96 -0.82 1.46 2.35 0.24 -2.04 115.58 117.65 1vaf h ASN 443 Ca 0.03 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1vaf h ASN 443 Cb 0.32 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1vaf h ASN 443 CO 0.00 0.70 0.36 -0.33 -1.65 0.00 0.00 177.43 176.51 1vaf h GLU 444 N 1.13 1.21 -0.33 0.81 4.39 -0.73 1.42 114.58 122.48 1vaf h GLU 444 Ca 0.31 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 1vaf h GLU 444 Cb -0.13 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.30 1vaf h GLU 444 CO -0.07 0.95 -0.35 1.88 -1.16 0.00 0.00 179.01 180.27 1vaf h TYR 445 N 1.19 0.89 0.12 4.33 -1.99 -1.06 0.17 116.97 120.62 1vaf h TYR 445 Ca 0.28 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1vaf h TYR 445 Cb 0.17 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1vaf h TYR 445 CO 0.02 1.00 -0.06 -0.09 -0.00 0.00 0.00 178.16 179.03 1vaf h ARG 446 N 0.63 -0.15 0.39 4.88 2.43 -0.92 0.44 114.38 122.07 1vaf h ARG 446 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1vaf h ARG 446 Cb 0.89 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1vaf h ARG 446 CO 0.08 0.28 -0.34 0.00 -1.51 0.00 0.00 179.97 178.48 1vaf h ALA 447 N 0.12 -1.05 -0.76 2.80 0.00 0.20 -3.36 119.26 117.21 1vaf h ALA 447 Ca -0.02 -0.14 -0.44 0.00 0.00 0.00 0.00 54.91 54.31 1vaf h ALA 447 Cb 0.50 0.54 -0.42 0.00 0.00 0.00 0.00 17.79 18.41 1vaf h ALA 447 CO 0.03 -1.06 -0.93 2.89 0.00 0.00 0.00 179.25 180.17 1vaf n ARG 448 N -4.43 2.82 -4.33 0.00 1.85 0.58 -5.02 116.66 108.15 1vaf n ARG 448 Ca -0.08 -3.93 -0.32 0.00 -1.00 0.00 0.00 57.85 52.51 1vaf n ARG 448 Cb 0.31 -1.99 -0.10 0.00 -1.05 0.00 0.00 32.46 29.64 1vaf n ARG 448 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vaf n GLY 449 N -0.60 -0.15 0.00 2.89 0.00 0.15 -4.52 105.19 102.97 1vaf n GLY 449 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1vaf n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vaf n GLY 450 N -2.45 3.56 3.16 -0.02 0.00 -1.21 -0.80 105.19 107.43 1vaf n GLY 450 Ca -0.29 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.70 1vaf n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vaf s PRO 452 N 2.80 4.21 -0.24 0.00 0.04 -1.26 -4.54 135.00 136.01 1vaf s PRO 452 Ca 0.16 2.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.49 1vaf s PRO 452 Cb -0.15 -3.03 0.08 0.00 0.04 0.00 0.00 34.50 31.44 1vaf s PRO 452 CO -0.20 -0.43 0.58 0.00 0.04 0.00 0.00 177.00 176.99 1vaf s ALA 453 N -0.75 -1.57 -0.85 8.56 0.00 -0.41 -4.44 121.76 122.30 1vaf s ALA 453 Ca 0.54 2.08 -0.15 0.00 0.00 0.00 0.00 51.96 54.42 1vaf s ALA 453 Cb -0.44 -1.26 0.19 0.00 0.00 0.00 0.00 23.12 21.61 1vaf s ALA 453 CO 0.54 -0.38 0.87 0.34 0.00 0.00 0.00 175.76 177.14 1vaf s ASP 454 N 1.65 6.71 0.40 0.00 -1.08 0.30 -3.70 116.67 120.95 1vaf s ASP 454 Ca -0.09 -2.48 0.25 0.00 -0.52 0.00 0.00 52.55 49.70 1vaf s ASP 454 Cb -0.07 -2.27 1.34 0.00 -1.46 0.00 0.00 42.92 40.47 1vaf s ASP 454 CO -0.17 -0.72 1.62 -0.25 0.52 0.00 0.00 175.17 176.16 1vaf h TRP 455 N 8.11 0.69 -0.44 -5.34 7.01 -1.91 0.28 115.95 124.35 1vaf h TRP 455 Ca 0.11 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.08 1vaf h TRP 455 Cb 1.04 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 1vaf h TRP 455 CO 1.07 -0.28 0.00 0.82 -2.79 0.00 0.00 178.44 177.26 1vaf h ILE 456 N 0.10 1.23 0.11 2.65 2.04 -1.91 -2.92 117.51 118.82 1vaf h ILE 456 Ca 0.82 -0.94 -0.33 0.00 1.00 0.00 0.00 64.86 65.41 1vaf h ILE 456 Cb 2.33 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1vaf h ILE 456 CO -0.55 0.33 -1.74 -0.50 0.00 0.00 0.00 178.15 175.69 1vaf h TRP 457 N 0.67 0.43 0.00 1.37 4.06 -0.85 -3.38 115.95 118.25 1vaf h TRP 457 Ca 0.13 -0.31 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 1vaf h TRP 457 Cb 0.41 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 1vaf h TRP 457 CO 0.02 1.49 -0.28 -0.07 -3.56 0.00 0.00 178.44 176.04 1vaf h LEU 458 N 0.06 0.00 -9.42 -4.49 3.38 -1.23 -3.43 115.31 100.19 1vaf h LEU 458 Ca -0.32 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.10 1vaf h LEU 458 Cb 2.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 1vaf h LEU 458 CO 0.13 0.28 0.26 -0.69 0.09 0.00 0.00 178.44 178.51 1vaf s VAL 459 N -4.29 4.89 0.43 1.22 1.01 -1.10 -4.91 120.40 117.66 1vaf s VAL 459 Ca -0.03 1.83 -0.25 0.00 0.00 0.00 0.00 61.98 63.53 1vaf s VAL 459 Cb 0.14 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1vaf s VAL 459 CO 0.69 0.22 1.20 -2.65 0.00 0.00 0.00 175.10 174.56 1vaf n PRO 460 N 3.69 1.73 0.00 2.72 -0.02 -1.26 -4.88 135.00 136.98 1vaf n PRO 460 Ca 0.03 0.62 0.02 0.00 -2.02 0.00 0.00 63.50 62.14 1vaf n PRO 460 Cb 0.51 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 1vaf n PRO 460 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1vaf n PRO 461 N -0.03 0.07 -3.75 0.52 -0.04 -1.26 -4.11 135.00 126.40 1vaf n PRO 461 Ca 0.08 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1vaf n PRO 461 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1vaf n PRO 461 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1vaf s VAL 462 N -2.31 0.03 -1.00 0.52 -7.23 -1.26 -4.92 120.40 104.23 1vaf s VAL 462 Ca 0.04 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1vaf s VAL 462 Cb 0.02 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.41 1vaf s VAL 462 CO 0.04 -0.12 0.00 -1.20 -0.31 0.00 0.00 175.10 173.51 1vaf n SER 463 N 2.13 -3.77 -0.00 4.85 7.64 -1.26 -4.96 113.62 118.24 1vaf n SER 463 Ca -0.17 0.05 -0.00 0.00 1.01 0.00 0.00 58.87 59.76 1vaf n SER 463 Cb 0.57 -2.84 -0.00 0.00 -1.01 0.00 0.00 64.21 60.92 1vaf n SER 463 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vaf h GLY 464 N 0.00 -2.57 0.96 0.23 0.00 -1.92 -1.43 103.07 98.35 1vaf h GLY 464 Ca -0.26 1.11 0.14 0.00 0.00 0.00 0.00 47.33 48.32 1vaf h GLY 464 CO 0.32 -0.98 0.38 0.23 0.00 0.00 0.00 176.54 176.49 1vaf h SER 465 N -0.00 0.08 0.71 0.19 0.87 -1.94 -1.96 113.55 111.49 1vaf h SER 465 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1vaf h SER 465 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1vaf h SER 465 CO -0.01 0.05 0.00 -0.38 -0.53 0.00 0.00 176.83 175.96 1vaf n ILE 466 N -4.41 0.53 -4.03 2.23 2.08 -0.57 -4.74 119.36 110.45 1vaf n ILE 466 Ca 0.10 0.13 -0.28 0.00 0.56 0.00 0.00 62.75 63.26 1vaf n ILE 466 Cb 0.55 -0.77 -0.05 0.00 -0.75 0.00 0.00 39.64 38.62 1vaf n ILE 466 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1vaf s THR 467 N -2.97 4.72 0.19 1.39 -4.23 -0.74 -5.04 115.64 108.97 1vaf s THR 467 Ca 0.11 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 59.66 1vaf s THR 467 Cb 0.14 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.70 1vaf s THR 467 CO 0.38 -0.02 1.67 1.55 -0.54 0.00 0.00 174.62 177.66 1vaf h PRO 468 N 2.66 1.11 -1.05 3.99 0.13 -1.85 -3.22 132.00 133.78 1vaf h PRO 468 Ca -0.47 -0.32 0.28 0.00 -0.87 0.00 0.00 66.00 64.62 1vaf h PRO 468 Cb 1.19 -0.12 -0.11 0.00 0.13 0.00 0.00 31.00 32.08 1vaf h PRO 468 CO 0.66 1.03 0.65 -0.39 -0.23 0.00 0.00 178.00 179.72 1vaf h VAL 469 N 1.03 0.47 -0.73 1.56 -1.51 -1.89 -1.24 116.25 113.95 1vaf h VAL 469 Ca 0.20 -0.15 0.16 0.00 -1.23 0.00 0.00 66.70 65.68 1vaf h VAL 469 Cb 0.48 0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.61 1vaf h VAL 469 CO 0.02 0.08 0.49 0.15 -1.23 0.00 0.00 177.57 177.08 1vaf h PHE 470 N 0.42 0.34 -0.47 5.19 3.04 -1.75 -0.77 116.94 122.94 1vaf h PHE 470 Ca 0.64 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.60 1vaf h PHE 470 Cb 1.52 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.92 1vaf h PHE 470 CO -0.00 0.12 0.00 0.72 -2.02 0.00 0.00 178.31 177.13 1vaf n HIS 471 N -4.44 0.62 -3.84 0.41 8.25 -0.47 -4.85 115.22 110.90 1vaf n HIS 471 Ca 0.14 -0.31 -0.36 0.00 -0.26 0.00 0.00 57.72 56.93 1vaf n HIS 471 Cb 0.59 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.59 1vaf n HIS 471 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1vaf s GLN 472 N -1.38 3.72 0.50 -0.41 2.00 -0.30 -0.99 119.66 122.81 1vaf s GLN 472 Ca 0.34 -0.45 -0.17 0.00 -2.00 0.00 0.00 55.36 53.08 1vaf s GLN 472 Cb 0.18 -3.29 -0.08 0.00 0.80 0.00 0.00 33.01 30.62 1vaf s GLN 472 CO 0.24 -0.07 0.98 -1.21 -0.50 0.00 0.00 175.29 174.73 1vaf s GLU 473 N 1.31 3.96 0.12 1.67 2.02 -0.94 -5.01 118.70 121.83 1vaf s GLU 473 Ca 0.05 1.01 -0.15 0.00 0.02 0.00 0.00 54.97 55.90 1vaf s GLU 473 Cb -0.15 -2.14 0.03 0.00 0.10 0.00 0.00 34.13 31.98 1vaf s GLU 473 CO 0.03 -0.26 0.37 0.00 0.02 0.00 0.00 175.26 175.42 1vaf s MET 474 N -3.88 1.03 -0.16 1.61 0.23 -1.26 -4.69 119.30 112.18 1vaf s MET 474 Ca 0.60 -0.75 -0.04 0.00 -1.03 0.00 0.00 55.69 54.46 1vaf s MET 474 Cb -0.10 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 1vaf s MET 474 CO 0.28 -0.39 -0.01 -0.51 -2.03 0.00 0.00 175.02 172.35 1vaf s LEU 475 N -2.81 3.39 -0.28 0.18 1.02 -1.26 -4.93 118.68 113.99 1vaf s LEU 475 Ca 0.03 -0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1vaf s LEU 475 Cb 0.02 -1.82 0.03 0.00 0.02 0.00 0.00 46.19 44.44 1vaf s LEU 475 CO -0.12 0.18 0.00 0.21 0.02 0.00 0.00 176.35 176.65 1vaf s ASN 476 N 0.30 4.76 0.05 2.29 2.47 -1.24 -1.29 114.94 122.28 1vaf s ASN 476 Ca -0.02 -0.97 -0.04 0.00 0.42 0.00 0.00 52.86 52.24 1vaf s ASN 476 Cb -0.14 -1.75 -0.02 0.00 -1.45 0.00 0.00 41.25 37.90 1vaf s ASN 476 CO 0.02 -0.20 0.06 -0.72 -3.72 0.00 0.00 177.10 172.55 1vaf s TYR 477 N 1.35 0.31 -0.37 0.43 1.13 -1.26 -4.96 117.35 113.98 1vaf s TYR 477 Ca -0.01 -0.72 -0.14 0.00 -1.41 0.00 0.00 57.07 54.78 1vaf s TYR 477 Cb -0.18 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.46 1vaf s TYR 477 CO -0.01 -0.40 0.30 0.08 -2.51 0.00 0.00 175.55 173.01 1vaf s VAL 478 N -3.26 5.24 0.00 -3.49 1.01 -1.26 -4.81 120.40 113.83 1vaf s VAL 478 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1vaf s VAL 478 Cb 0.03 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1vaf s VAL 478 CO -0.08 -0.17 0.00 0.18 0.00 0.00 0.00 175.10 175.03 1vaf n LEU 479 N 5.22 0.00 -3.62 3.92 4.77 -1.26 -2.72 117.00 123.31 1vaf n LEU 479 Ca -0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 1vaf n LEU 479 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1vaf n LEU 479 CO 0.40 0.00 0.38 -0.55 -1.33 0.00 0.00 177.39 176.29 1vaf s SER 480 N -1.00 -0.68 1.10 -1.43 0.15 -1.26 -4.46 113.70 106.12 1vaf s SER 480 Ca 0.00 1.18 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1vaf s SER 480 Cb 0.00 1.15 0.14 0.00 -1.71 0.00 0.00 66.02 65.61 1vaf s SER 480 CO 0.00 -0.33 0.37 -2.65 1.20 0.00 0.00 173.24 171.82 1vaf n PRO 481 N 2.23 -1.59 -3.61 5.44 -0.02 -1.26 -4.99 135.00 131.20 1vaf n PRO 481 Ca -0.15 -0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 60.78 1vaf n PRO 481 Cb 0.56 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1vaf n PRO 481 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vaf s PHE 482 N -2.32 -0.26 -0.52 6.00 5.36 -0.38 -4.35 117.98 121.50 1vaf s PHE 482 Ca 0.60 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1vaf s PHE 482 Cb -0.17 0.29 0.14 0.00 -0.34 0.00 0.00 43.02 42.94 1vaf s PHE 482 CO 0.66 -0.70 0.34 0.71 -1.46 0.00 0.00 175.22 174.77 1vaf s TYR 483 N -3.55 3.50 0.41 10.12 2.02 -1.25 -0.70 117.35 127.90 1vaf s TYR 483 Ca 0.01 -2.47 -0.06 0.00 -0.37 0.00 0.00 57.07 54.19 1vaf s TYR 483 Cb 0.01 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.26 1vaf s TYR 483 CO -0.10 -0.92 0.71 0.71 -1.57 0.00 0.00 175.55 174.38 1vaf s TYR 484 N 0.63 3.52 0.80 2.71 2.02 0.19 -4.80 117.35 122.41 1vaf s TYR 484 Ca 0.12 0.78 -0.10 0.00 -0.37 0.00 0.00 57.07 57.50 1vaf s TYR 484 Cb -0.22 -2.25 0.10 0.00 -0.40 0.00 0.00 41.96 39.20 1vaf s TYR 484 CO -0.04 -0.11 1.14 0.71 -1.57 0.00 0.00 175.55 175.68 1vaf s TYR 485 N -2.49 2.52 0.32 2.71 2.02 -0.63 0.14 117.35 121.94 1vaf s TYR 485 Ca 0.47 0.45 0.05 0.00 -0.37 0.00 0.00 57.07 57.67 1vaf s TYR 485 Cb -0.10 -3.49 -0.03 0.00 -0.40 0.00 0.00 41.96 37.94 1vaf s TYR 485 CO 0.38 -1.83 0.22 -0.65 -1.57 0.00 0.00 175.55 172.10 1vaf s GLN 486 N -5.49 1.69 -0.08 -0.62 -0.21 -1.26 -1.08 119.66 112.61 1vaf s GLN 486 Ca 0.64 -1.98 -0.20 0.00 0.02 0.00 0.00 55.36 53.84 1vaf s GLN 486 Cb -0.09 0.12 -0.04 0.00 1.00 0.00 0.00 33.01 34.00 1vaf s GLN 486 CO 0.48 -0.56 0.56 0.42 -2.12 0.00 0.00 175.29 174.06 1vaf s ILE 487 N -3.52 5.09 -0.36 1.08 1.09 -1.26 -4.93 121.20 118.38 1vaf s ILE 487 Ca 0.37 1.14 -0.44 0.00 -1.10 0.00 0.00 60.65 60.62 1vaf s ILE 487 Cb 0.03 -3.90 -0.19 0.00 -1.06 0.00 0.00 42.46 37.34 1vaf s ILE 487 CO 0.22 0.33 1.54 -0.62 -0.10 0.00 0.00 174.94 176.31 1vaf n GLU 488 N 3.47 0.28 -0.27 2.79 1.02 -1.26 -4.79 120.64 121.88 1vaf n GLU 488 Ca -0.06 0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1vaf n GLU 488 Cb 0.51 -1.64 0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1vaf n GLU 488 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1vaf h PRO 489 N 5.13 -0.06 0.00 3.49 0.13 -1.93 1.00 132.00 139.77 1vaf h PRO 489 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1vaf h PRO 489 Cb 1.37 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1vaf h PRO 489 CO 0.92 -0.04 0.07 -2.67 -0.23 0.00 0.00 178.00 176.05 1vaf n TRP 490 N -5.48 0.43 1.35 1.56 2.14 -1.26 -0.09 117.44 116.08 1vaf n TRP 490 Ca 0.09 0.22 0.13 0.00 2.07 0.00 0.00 57.50 60.01 1vaf n TRP 490 Cb 0.39 -0.80 0.41 0.00 -0.81 0.00 0.00 31.31 30.49 1vaf n TRP 490 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1vaf n LYS 491 N -1.94 1.57 0.00 -2.67 5.02 0.34 -4.33 118.16 116.16 1vaf n LYS 491 Ca -0.01 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 1vaf n LYS 491 Cb 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1vaf n LYS 491 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vaf n THR 492 N 0.17 0.00 -1.84 -0.18 -2.24 0.55 -5.04 114.28 105.69 1vaf n THR 492 Ca 0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 1vaf n THR 492 Cb 0.39 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1vaf n THR 492 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vaf s HIS 493 N 0.00 2.02 -0.65 4.78 5.04 0.87 -4.95 115.29 122.40 1vaf s HIS 493 Ca 0.00 0.05 -0.22 0.00 -1.54 0.00 0.00 55.06 53.35 1vaf s HIS 493 Cb 0.00 -4.06 0.08 0.00 0.04 0.00 0.00 32.58 28.64 1vaf s HIS 493 CO 0.00 -4.45 0.90 0.42 -2.34 0.00 0.00 174.74 169.27 1vaf s ILE 494 N 3.36 4.46 -1.66 0.89 1.01 -1.26 -4.98 121.20 123.02 1vaf s ILE 494 Ca 0.78 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1vaf s ILE 494 Cb -0.40 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.43 1vaf s ILE 494 CO 0.35 -1.37 0.42 0.79 0.00 0.00 0.00 174.94 175.12