#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1al3 s TRP 89 N 0.00 2.87 -0.51 4.78 0.52 0.74 -5.00 118.94 122.33 1al3 s TRP 89 Ca 0.00 -0.04 0.26 0.00 0.02 0.00 0.00 56.10 56.34 1al3 s TRP 89 Cb 0.00 -1.69 0.89 0.00 -1.15 0.00 0.00 33.47 31.52 1al3 s TRP 89 CO 0.00 0.28 1.76 -1.00 0.02 0.00 0.00 176.95 178.01 1al3 h PRO 90 N 5.30 0.00 -6.18 4.98 0.13 -1.99 -3.38 132.00 130.86 1al3 h PRO 90 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 1al3 h PRO 90 Cb 1.17 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 1al3 h PRO 90 CO 0.52 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 177.92 1al3 n ASP 91 N -2.43 0.09 -4.04 1.44 9.92 -1.26 -4.85 116.55 115.42 1al3 n ASP 91 Ca 0.04 1.15 -0.25 0.00 -0.53 0.00 0.00 54.79 55.20 1al3 n ASP 91 Cb 0.35 -1.08 -0.16 0.00 -0.64 0.00 0.00 41.12 39.58 1al3 n ASP 91 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1al3 s LYS 92 N -0.83 1.70 0.00 -1.24 0.00 -1.26 -3.58 119.74 114.53 1al3 s LYS 92 Ca 0.69 -0.44 0.00 0.00 0.00 0.00 0.00 55.97 56.21 1al3 s LYS 92 Cb -0.91 -1.42 0.00 0.00 0.00 0.00 0.00 37.83 35.50 1al3 s LYS 92 CO 0.56 0.06 0.00 0.41 0.00 0.00 0.00 175.35 176.38 1al3 n GLY 93 N 3.69 -0.38 3.32 0.59 0.00 -0.98 -4.99 105.19 106.44 1al3 n GLY 93 Ca -0.22 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1al3 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1al3 s SER 94 N -4.00 -0.30 -0.07 1.61 0.01 -1.26 -0.50 113.70 109.18 1al3 s SER 94 Ca 0.00 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 1al3 s SER 94 Cb 0.00 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.68 1al3 s SER 94 CO 0.00 -0.60 0.13 -0.22 0.41 0.00 0.00 173.24 172.96 1al3 s LEU 95 N -1.72 0.01 -0.20 2.44 2.96 0.51 -4.91 118.68 117.76 1al3 s LEU 95 Ca -0.08 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1al3 s LEU 95 Cb -0.02 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.87 1al3 s LEU 95 CO 0.01 -0.24 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.31 1al3 s TYR 96 N 2.22 2.92 -0.10 5.38 1.51 -1.26 0.04 117.35 128.07 1al3 s TYR 96 Ca 0.03 -1.85 0.02 0.00 -1.01 0.00 0.00 57.07 54.27 1al3 s TYR 96 Cb -0.12 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1al3 s TYR 96 CO -0.05 -0.83 -0.18 0.08 -1.11 0.00 0.00 175.55 173.46 1al3 s VAL 97 N 1.23 2.60 -0.12 0.71 1.01 -0.15 -0.02 120.40 125.66 1al3 s VAL 97 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1al3 s VAL 97 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1al3 s VAL 97 CO -0.11 0.55 -0.16 0.00 0.00 0.00 0.00 175.10 175.38 1al3 s ALA 98 N 0.15 2.50 0.16 5.51 0.00 0.47 -0.98 121.76 129.58 1al3 s ALA 98 Ca -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1al3 s ALA 98 Cb -0.16 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.89 1al3 s ALA 98 CO 0.06 0.28 0.28 -2.37 0.00 0.00 0.00 175.76 174.01 1al3 n THR 99 N 3.46 0.00 -3.24 0.00 5.66 0.75 -1.38 114.28 119.54 1al3 n THR 99 Ca -0.18 -0.50 -0.19 0.00 -3.05 0.00 0.00 64.05 60.13 1al3 n THR 99 Cb 0.53 0.41 0.01 0.00 -1.55 0.00 0.00 70.33 69.73 1al3 n THR 99 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1al3 s THR 100 N -2.62 2.67 0.17 1.09 -4.23 -1.24 -0.27 115.64 111.20 1al3 s THR 100 Ca 0.08 -1.13 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1al3 s THR 100 Cb -0.02 -2.80 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1al3 s THR 100 CO 0.06 0.00 1.81 -0.74 -0.54 0.00 0.00 174.62 175.21 1al3 h HIS 101 N 0.69 0.54 -0.21 3.99 2.76 -1.91 -1.26 115.15 119.74 1al3 h HIS 101 Ca -0.38 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.85 1al3 h HIS 101 Cb 1.28 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 30.01 1al3 h HIS 101 CO 0.48 0.31 -0.12 1.15 -1.30 0.00 0.00 177.93 178.45 1al3 h THR 102 N 0.57 0.64 -0.24 6.26 2.02 -1.95 0.60 112.91 120.82 1al3 h THR 102 Ca 0.19 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.17 1al3 h THR 102 Cb 0.00 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1al3 h THR 102 CO -0.08 0.00 -0.61 1.56 0.37 0.00 0.00 175.52 176.76 1al3 h GLN 103 N -0.10 0.81 -0.42 6.66 1.08 -1.83 -1.07 115.11 120.23 1al3 h GLN 103 Ca 0.12 -0.55 -0.09 0.00 -1.45 0.00 0.00 58.65 56.67 1al3 h GLN 103 Cb 0.28 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1al3 h GLN 103 CO -0.28 1.18 -0.12 0.00 -0.95 0.00 0.00 178.83 178.66 1al3 h ALA 104 N 0.69 1.00 0.06 3.87 0.00 -0.97 0.20 119.26 124.11 1al3 h ALA 104 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1al3 h ALA 104 Cb 1.22 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1al3 h ALA 104 CO 0.13 0.60 -0.77 0.00 0.00 0.00 0.00 179.25 179.21 1al3 h ARG 105 N 0.68 0.13 0.00 0.00 2.47 -0.89 -3.37 114.38 113.40 1al3 h ARG 105 Ca 0.11 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 1al3 h ARG 105 Cb 0.60 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 1al3 h ARG 105 CO 0.04 1.10 -1.78 0.66 0.56 0.00 0.00 179.97 180.55 1al3 n TYR 106 N -4.30 0.00 -0.05 3.04 4.01 -0.41 -4.76 117.16 114.69 1al3 n TYR 106 Ca -0.19 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.48 1al3 n TYR 106 Cb 0.70 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1al3 n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1al3 n ALA 107 N -2.22 1.76 0.02 -0.72 0.00 -0.38 -4.88 120.51 114.09 1al3 n ALA 107 Ca -0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 1al3 n ALA 107 Cb 0.62 0.18 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 1al3 n ALA 107 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1al3 n LEU 108 N -2.69 0.79 -0.29 0.00 4.77 0.55 -4.61 117.00 115.52 1al3 n LEU 108 Ca -0.19 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1al3 n LEU 108 Cb 0.74 0.09 0.26 0.00 -2.33 0.00 0.00 43.42 42.18 1al3 n LEU 108 CO 0.14 0.16 0.95 -0.65 -1.33 0.00 0.00 177.39 176.66 1al3 h PRO 109 N 0.00 0.24 -0.42 3.23 0.11 -1.81 -0.06 132.00 133.30 1al3 h PRO 109 Ca -0.18 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.76 1al3 h PRO 109 Cb 1.61 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.66 1al3 h PRO 109 CO 0.04 0.16 -0.33 0.78 -0.21 0.00 0.00 178.00 178.45 1al3 h GLY 110 N 0.25 1.04 1.09 -0.55 0.00 -1.97 -0.13 103.07 102.80 1al3 h GLY 110 Ca 0.51 -1.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 1al3 h GLY 110 CO -0.60 0.92 0.10 -2.08 0.00 0.00 0.00 176.54 174.88 1al3 h VAL 111 N 0.79 1.26 -0.02 4.60 2.07 -1.54 -1.07 116.25 122.35 1al3 h VAL 111 Ca 0.08 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1al3 h VAL 111 Cb 0.92 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1al3 h VAL 111 CO 0.09 0.39 -0.04 0.40 0.02 0.00 0.00 177.57 178.43 1al3 h ILE 112 N 1.03 1.44 -0.27 4.57 1.08 -0.92 0.10 117.51 124.55 1al3 h ILE 112 Ca 0.20 -1.36 0.06 0.00 -0.39 0.00 0.00 64.86 63.37 1al3 h ILE 112 Cb 0.45 2.30 -0.07 0.00 -3.07 0.00 0.00 36.82 36.43 1al3 h ILE 112 CO 0.01 0.36 -0.25 0.50 -0.69 0.00 0.00 178.15 178.08 1al3 h LYS 113 N -0.47 -0.24 -0.75 2.37 1.63 -0.98 -0.06 116.57 118.07 1al3 h LYS 113 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1al3 h LYS 113 Cb 0.61 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 1al3 h LYS 113 CO 0.01 -0.16 0.48 0.78 -3.45 0.00 0.00 179.45 177.11 1al3 h GLY 114 N -0.25 1.06 1.05 5.01 0.00 -1.01 -2.32 103.07 106.62 1al3 h GLY 114 Ca 0.14 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1al3 h GLY 114 CO -0.41 0.40 -0.30 -2.75 0.00 0.00 0.00 176.54 173.48 1al3 h PHE 115 N 1.02 1.00 -0.29 5.60 3.57 -0.19 -2.02 116.94 125.64 1al3 h PHE 115 Ca 0.27 -0.29 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1al3 h PHE 115 Cb -0.10 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1al3 h PHE 115 CO 0.00 1.08 -0.28 -0.84 -2.23 0.00 0.00 178.31 176.04 1al3 h ILE 116 N 0.64 1.28 -0.65 1.41 3.07 -0.99 0.16 117.51 122.43 1al3 h ILE 116 Ca 0.06 -1.37 -0.06 0.00 1.55 0.00 0.00 64.86 65.05 1al3 h ILE 116 Cb 0.88 1.36 -0.03 0.00 -0.27 0.00 0.00 36.82 38.77 1al3 h ILE 116 CO 0.08 0.44 0.18 -0.33 -1.05 0.00 0.00 178.15 177.46 1al3 h GLU 117 N 0.51 1.01 -0.03 0.16 5.08 -1.24 -0.17 114.58 119.91 1al3 h GLU 117 Ca 0.07 -0.22 -0.24 0.00 -1.00 0.00 0.00 59.36 57.97 1al3 h GLU 117 Cb 0.75 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1al3 h GLU 117 CO 0.06 0.89 -0.95 -0.09 -1.00 0.00 0.00 179.01 177.92 1al3 h ARG 118 N 0.97 0.58 -2.42 2.33 2.43 -0.92 -3.40 114.38 113.96 1al3 h ARG 118 Ca 0.21 -0.59 -0.60 0.00 -0.81 0.00 0.00 59.98 58.19 1al3 h ARG 118 Cb 0.32 0.16 -0.41 0.00 -0.42 0.00 0.00 29.97 29.62 1al3 h ARG 118 CO -0.00 1.21 -0.75 0.66 -1.51 0.00 0.00 179.97 179.57 1al3 n TYR 119 N -3.82 2.05 0.31 2.20 4.01 0.51 -0.19 117.16 122.23 1al3 n TYR 119 Ca -0.08 -3.95 0.08 0.00 -0.16 0.00 0.00 57.90 53.78 1al3 n TYR 119 Cb 0.83 -0.41 0.35 0.00 -0.31 0.00 0.00 39.34 39.80 1al3 n TYR 119 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1al3 n PRO 120 N 1.55 0.08 -0.24 -0.72 -0.04 -1.08 -1.86 135.00 132.69 1al3 n PRO 120 Ca 0.25 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 64.19 1al3 n PRO 120 Cb 0.43 -1.68 0.17 0.00 -0.04 0.00 0.00 33.50 32.38 1al3 n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1al3 n ARG 121 N -1.84 2.75 -3.56 0.54 1.74 -1.26 -4.88 116.66 110.15 1al3 n ARG 121 Ca 0.02 -2.33 -0.38 0.00 -0.77 0.00 0.00 57.85 54.39 1al3 n ARG 121 Cb 0.13 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1al3 n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1al3 s VAL 122 N -1.86 5.29 -0.43 1.55 1.01 -0.78 -2.32 120.40 122.86 1al3 s VAL 122 Ca 0.28 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1al3 s VAL 122 Cb 0.20 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1al3 s VAL 122 CO 0.10 0.26 1.37 -0.55 0.00 0.00 0.00 175.10 176.28 1al3 s SER 123 N 1.50 6.37 -0.19 3.32 0.15 0.34 -4.93 113.70 120.26 1al3 s SER 123 Ca 0.09 0.75 -0.09 0.00 0.70 0.00 0.00 55.95 57.41 1al3 s SER 123 Cb -0.15 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1al3 s SER 123 CO 0.09 -1.42 0.09 -0.22 1.20 0.00 0.00 173.24 172.98 1al3 s LEU 124 N 5.33 3.99 -0.01 3.45 2.96 -1.26 -0.36 118.68 132.77 1al3 s LEU 124 Ca 0.59 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.71 1al3 s LEU 124 Cb -0.12 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 1al3 s LEU 124 CO 0.32 0.17 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.34 1al3 s HIS 125 N 0.38 1.72 -0.01 5.38 3.76 0.11 -4.96 115.29 121.66 1al3 s HIS 125 Ca 0.05 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1al3 s HIS 125 Cb -0.12 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.47 1al3 s HIS 125 CO -0.01 -0.03 -0.03 -1.64 -0.85 0.00 0.00 174.74 172.19 1al3 s MET 126 N -0.47 0.27 -0.08 1.40 -1.94 -1.26 -0.98 119.30 116.25 1al3 s MET 126 Ca 0.07 -0.09 -0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1al3 s MET 126 Cb -0.07 -0.29 0.02 0.00 2.01 0.00 0.00 34.83 36.50 1al3 s MET 126 CO -0.01 0.04 -0.04 -1.01 -0.01 0.00 0.00 175.02 173.99 1al3 s HIS 127 N 0.09 0.97 -0.15 -0.03 3.76 -0.15 -4.96 115.29 114.83 1al3 s HIS 127 Ca -0.01 -0.36 -0.06 0.00 -0.15 0.00 0.00 55.06 54.48 1al3 s HIS 127 Cb -0.03 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 1al3 s HIS 127 CO -0.00 -0.34 0.05 -1.14 -0.85 0.00 0.00 174.74 172.46 1al3 s GLN 128 N 1.52 3.63 0.00 1.40 -0.44 -1.26 -0.18 119.66 124.34 1al3 s GLN 128 Ca -0.01 -0.34 0.00 0.00 -2.50 0.00 0.00 55.36 52.51 1al3 s GLN 128 Cb -0.13 -3.09 0.00 0.00 -1.64 0.00 0.00 33.01 28.15 1al3 s GLN 128 CO -0.04 0.45 0.00 0.41 0.50 0.00 0.00 175.29 176.61 1al3 n GLY 129 N 2.96 1.11 3.93 2.59 0.00 0.62 -4.96 105.19 111.43 1al3 n GLY 129 Ca -0.18 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 1al3 n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1al3 s SER 130 N 2.00 5.19 0.43 1.61 1.04 -1.26 -4.30 113.70 118.40 1al3 s SER 130 Ca 0.00 0.52 0.17 0.00 0.48 0.00 0.00 55.95 57.12 1al3 s SER 130 Cb 0.00 -1.34 1.08 0.00 0.10 0.00 0.00 66.02 65.86 1al3 s SER 130 CO 0.00 -1.33 1.90 -0.65 0.98 0.00 0.00 173.24 174.14 1al3 h PRO 131 N -0.36 0.39 0.05 4.02 0.11 -1.94 0.46 132.00 134.73 1al3 h PRO 131 Ca -0.45 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1al3 h PRO 131 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1al3 h PRO 131 CO 0.60 0.26 -1.05 0.00 -0.21 0.00 0.00 178.00 177.59 1al3 h THR 132 N 0.40 1.53 -0.49 -1.15 1.03 -1.92 -1.68 112.91 110.63 1al3 h THR 132 Ca 0.40 -2.92 -0.08 0.00 -0.01 0.00 0.00 66.41 63.80 1al3 h THR 132 Cb 0.96 2.72 -0.02 0.00 -1.07 0.00 0.00 68.15 70.74 1al3 h THR 132 CO -0.13 0.85 -0.01 1.56 -0.01 0.00 0.00 175.52 177.79 1al3 h GLN 133 N 0.09 0.86 0.45 0.00 4.20 -1.60 -2.16 115.11 116.95 1al3 h GLN 133 Ca -0.08 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 1al3 h GLN 133 Cb 1.75 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.46 1al3 h GLN 133 CO 0.16 0.90 -0.23 0.82 -0.67 0.00 0.00 178.83 179.82 1al3 h ILE 134 N 0.72 0.00 -0.86 2.54 2.04 -0.85 -1.16 117.51 119.93 1al3 h ILE 134 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1al3 h ILE 134 Cb 0.52 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.48 1al3 h ILE 134 CO 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.75 1al3 n ALA 135 N -2.33 -0.34 -0.09 1.87 0.00 -0.64 -0.94 120.51 118.05 1al3 n ALA 135 Ca -0.08 0.79 0.11 0.00 0.00 0.00 0.00 53.44 54.26 1al3 n ALA 135 Cb 0.25 -0.25 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1al3 n ALA 135 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1al3 h GLU 136 N 0.00 0.45 -0.23 0.00 4.57 -1.26 0.50 114.58 118.61 1al3 h GLU 136 Ca 0.22 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.20 1al3 h GLU 136 Cb 0.43 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1al3 h GLU 136 CO -0.83 0.29 -0.51 0.00 -1.18 0.00 0.00 179.01 176.78 1al3 h ALA 137 N 1.69 0.37 -0.59 2.92 0.00 0.26 -1.60 119.26 122.31 1al3 h ALA 137 Ca 0.27 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1al3 h ALA 137 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1al3 h ALA 137 CO -0.08 0.55 0.10 0.28 0.00 0.00 0.00 179.25 180.10 1al3 h VAL 138 N 0.47 1.26 -0.59 0.00 2.07 -0.83 -0.35 116.25 118.28 1al3 h VAL 138 Ca 0.00 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1al3 h VAL 138 Cb 1.12 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1al3 h VAL 138 CO 0.11 0.36 -0.04 0.28 0.02 0.00 0.00 177.57 178.30 1al3 h SER 139 N 0.87 1.05 0.75 0.57 0.02 -0.66 -2.59 113.55 113.56 1al3 h SER 139 Ca 0.18 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1al3 h SER 139 Cb 0.42 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1al3 h SER 139 CO 0.01 1.12 0.00 0.29 -1.14 0.00 0.00 176.83 177.11 1al3 n LYS 140 N -4.17 0.05 -0.85 3.45 5.02 -0.62 -4.89 118.16 116.14 1al3 n LYS 140 Ca 0.02 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1al3 n LYS 140 Cb 0.37 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1al3 n LYS 140 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1al3 n GLY 141 N 0.52 0.50 0.41 0.72 0.00 -0.98 -4.93 105.19 101.44 1al3 n GLY 141 Ca 0.04 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1al3 n GLY 141 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1al3 n ASN 142 N 1.17 1.42 -3.93 1.61 4.13 -0.24 -4.78 115.26 114.64 1al3 n ASN 142 Ca 0.00 -1.26 -0.18 0.00 1.68 0.00 0.00 54.58 54.82 1al3 n ASN 142 Cb 0.00 0.10 -0.15 0.00 -1.54 0.00 0.00 39.78 38.18 1al3 n ASN 142 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1al3 s ALA 143 N -2.26 0.60 -0.04 5.41 0.00 -0.59 -4.89 121.76 119.98 1al3 s ALA 143 Ca 0.30 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1al3 s ALA 143 Cb 0.20 -0.28 -0.25 0.00 0.00 0.00 0.00 23.12 22.79 1al3 s ALA 143 CO 0.43 0.06 1.01 -0.44 0.00 0.00 0.00 175.76 176.83 1al3 h ASP 144 N 6.59 0.34 -4.12 0.00 3.32 -0.75 -3.42 116.42 118.40 1al3 h ASP 144 Ca -0.34 -0.82 -0.40 0.00 0.02 0.00 0.00 57.03 55.50 1al3 h ASP 144 Cb 1.17 -0.11 -0.28 0.00 0.22 0.00 0.00 39.33 40.33 1al3 h ASP 144 CO 0.49 1.12 -0.78 -0.36 -1.72 0.00 0.00 179.24 177.99 1al3 s PHE 145 N -2.98 0.87 -0.00 4.55 0.08 -0.85 -4.50 117.98 115.15 1al3 s PHE 145 Ca -0.15 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.73 1al3 s PHE 145 Cb 0.01 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1al3 s PHE 145 CO 0.78 -0.01 -0.05 0.00 -0.10 0.00 0.00 175.22 175.84 1al3 s ALA 146 N -0.35 3.08 -0.17 5.36 0.00 0.20 -0.39 121.76 129.49 1al3 s ALA 146 Ca 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1al3 s ALA 146 Cb -0.04 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.94 1al3 s ALA 146 CO -0.00 0.62 -0.00 0.42 0.00 0.00 0.00 175.76 176.80 1al3 s ILE 147 N -1.01 0.75 0.14 0.00 1.01 -0.48 -0.51 121.20 121.09 1al3 s ILE 147 Ca 0.17 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 1al3 s ILE 147 Cb -0.11 -1.09 0.07 0.00 0.01 0.00 0.00 42.46 41.34 1al3 s ILE 147 CO 0.08 -0.03 0.88 0.00 0.00 0.00 0.00 174.94 175.87 1al3 s ALA 148 N 1.78 -1.62 -0.13 9.38 0.00 -0.84 -3.59 121.76 126.74 1al3 s ALA 148 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 1al3 s ALA 148 Cb -0.16 0.64 -0.26 0.00 0.00 0.00 0.00 23.12 23.35 1al3 s ALA 148 CO -0.07 -0.94 0.36 2.41 0.00 0.00 0.00 175.76 177.51 1al3 n THR 149 N -0.41 1.77 -2.71 0.00 -1.04 -1.26 -0.72 114.28 109.90 1al3 n THR 149 Ca -0.07 -0.60 -0.36 0.00 -2.04 0.00 0.00 64.05 60.97 1al3 n THR 149 Cb 0.61 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.30 1al3 n THR 149 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1al3 s GLU 150 N -2.54 4.35 0.88 -2.82 0.41 -1.26 -4.77 118.70 112.95 1al3 s GLU 150 Ca -0.23 1.33 -0.10 0.00 -0.41 0.00 0.00 54.97 55.56 1al3 s GLU 150 Cb 0.07 -2.55 0.13 0.00 -1.78 0.00 0.00 34.13 29.99 1al3 s GLU 150 CO 0.76 0.06 1.14 0.00 -0.49 0.00 0.00 175.26 176.73 1al3 s ALA 151 N -1.78 1.63 0.11 5.21 0.00 -1.26 -5.03 121.76 120.64 1al3 s ALA 151 Ca 0.56 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1al3 s ALA 151 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1al3 s ALA 151 CO 0.22 -2.56 0.00 1.28 0.00 0.00 0.00 175.76 174.70 1al3 n LEU 152 N -4.04 0.00 -4.76 0.00 4.77 -1.26 -4.88 117.00 106.83 1al3 n LEU 152 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 1al3 n LEU 152 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1al3 n LEU 152 CO 0.50 -0.29 0.82 -1.00 -1.33 0.00 0.00 177.39 176.08 1al3 s HIS 153 N 1.19 3.48 0.07 -1.77 3.76 -1.26 -4.91 115.29 115.85 1al3 s HIS 153 Ca 0.00 1.66 0.20 0.00 -0.15 0.00 0.00 55.06 56.77 1al3 s HIS 153 Cb 0.00 -3.34 0.63 0.00 1.11 0.00 0.00 32.58 30.98 1al3 s HIS 153 CO 0.00 -0.75 1.70 -0.07 -0.85 0.00 0.00 174.74 174.77 1al3 h LEU 154 N 3.68 0.00 0.00 0.89 4.07 -2.00 -3.07 115.31 118.88 1al3 h LEU 154 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1al3 h LEU 154 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1al3 h LEU 154 CO 0.66 0.34 0.00 0.00 -1.08 0.00 0.00 178.44 178.36 1al3 n TYR 155 N -3.40 0.00 -2.79 1.13 0.18 -1.26 -4.92 117.16 106.10 1al3 n TYR 155 Ca 0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 1al3 n TYR 155 Cb 0.53 -0.43 -0.02 0.00 -0.38 0.00 0.00 39.34 39.04 1al3 n TYR 155 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1al3 s ASP 156 N -2.86 6.41 -0.95 9.48 1.01 -1.16 -5.01 116.67 123.59 1al3 s ASP 156 Ca 0.18 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.31 1al3 s ASP 156 Cb 0.19 -2.28 0.17 0.00 1.01 0.00 0.00 42.92 42.01 1al3 s ASP 156 CO 0.50 -0.46 1.05 -0.62 0.21 0.00 0.00 175.17 175.85 1al3 s ASP 157 N -3.54 6.78 0.09 0.27 2.15 -1.26 -5.01 116.67 116.16 1al3 s ASP 157 Ca 0.49 -2.48 0.06 0.00 0.43 0.00 0.00 52.55 51.06 1al3 s ASP 157 Cb -0.10 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1al3 s ASP 157 CO 0.37 -0.82 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.71 1al3 s LEU 158 N 1.49 3.12 -0.23 -1.34 1.43 -1.26 -1.25 118.68 120.64 1al3 s LEU 158 Ca 0.29 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1al3 s LEU 158 Cb -0.06 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1al3 s LEU 158 CO -0.08 0.19 0.13 -0.69 0.23 0.00 0.00 176.35 176.12 1al3 s VAL 159 N -1.21 5.07 -0.16 -1.59 1.01 0.82 -4.85 120.40 119.49 1al3 s VAL 159 Ca 0.22 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1al3 s VAL 159 Cb -0.11 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1al3 s VAL 159 CO 0.14 0.37 -0.20 -0.04 0.00 0.00 0.00 175.10 175.37 1al3 s MET 160 N 1.01 3.03 0.03 2.72 1.00 -1.26 -2.05 119.30 123.77 1al3 s MET 160 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 55.69 54.99 1al3 s MET 160 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 34.83 32.13 1al3 s MET 160 CO 0.04 -0.12 -0.16 -0.51 0.00 0.00 0.00 175.02 174.27 1al3 s LEU 161 N 1.08 2.69 0.08 -0.03 1.43 0.11 -4.93 118.68 119.11 1al3 s LEU 161 Ca -0.00 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1al3 s LEU 161 Cb -0.14 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 1al3 s LEU 161 CO -0.08 0.27 0.98 -2.16 0.23 0.00 0.00 176.35 175.59 1al3 s PRO 162 N -1.35 4.65 -0.16 1.29 0.04 -1.26 -1.11 135.00 137.10 1al3 s PRO 162 Ca 0.15 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 1al3 s PRO 162 Cb -0.11 -3.39 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 1al3 s PRO 162 CO 0.05 0.13 -0.27 0.00 0.04 0.00 0.00 177.00 176.95 1al3 s TYR 164 N -2.58 -0.38 0.12 0.00 -0.85 -1.16 -4.45 117.35 108.06 1al3 s TYR 164 Ca -0.26 0.10 -0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1al3 s TYR 164 Cb 0.07 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.83 1al3 s TYR 164 CO 0.35 -0.85 0.32 -1.01 -1.52 0.00 0.00 175.55 172.84 1al3 s HIS 165 N -3.79 3.49 0.09 -3.49 3.76 -0.40 -0.59 115.29 114.36 1al3 s HIS 165 Ca 0.03 0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 55.15 1al3 s HIS 165 Cb -0.01 -1.89 0.04 0.00 1.11 0.00 0.00 32.58 31.84 1al3 s HIS 165 CO -0.10 0.48 0.47 1.67 -0.85 0.00 0.00 174.74 176.41 1al3 s TRP 166 N -1.64 -0.33 0.25 1.40 1.48 -0.37 -0.29 118.94 119.45 1al3 s TRP 166 Ca 0.38 0.20 0.01 0.00 -1.06 0.00 0.00 56.10 55.64 1al3 s TRP 166 Cb -0.12 0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 32.46 1al3 s TRP 166 CO 0.27 -0.67 0.14 1.21 -4.06 0.00 0.00 176.95 173.83 1al3 s ASN 167 N -2.35 0.88 0.40 -2.66 3.84 -1.25 0.33 114.94 114.14 1al3 s ASN 167 Ca -0.02 -1.46 -0.22 0.00 0.21 0.00 0.00 52.86 51.38 1al3 s ASN 167 Cb 0.00 0.33 -0.11 0.00 -0.55 0.00 0.00 41.25 40.93 1al3 s ASN 167 CO -0.07 -0.84 0.93 -0.13 -2.79 0.00 0.00 177.10 174.21 1al3 s ARG 168 N -3.99 4.28 0.26 0.43 3.00 -1.26 -0.66 118.95 121.02 1al3 s ARG 168 Ca 0.38 1.13 0.09 0.00 0.00 0.00 0.00 55.73 57.34 1al3 s ARG 168 Cb 0.06 -2.32 -0.04 0.00 0.00 0.00 0.00 34.95 32.66 1al3 s ARG 168 CO 0.15 0.04 0.01 -1.12 0.00 0.00 0.00 175.30 174.38 1al3 s SER 169 N -2.07 4.62 -0.21 0.23 0.01 0.22 -4.57 113.70 111.93 1al3 s SER 169 Ca 0.59 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 57.18 1al3 s SER 169 Cb -0.11 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 1al3 s SER 169 CO 0.15 -0.00 0.02 -0.63 0.41 0.00 0.00 173.24 173.19 1al3 s ILE 170 N -2.31 4.03 -0.04 1.44 -1.09 -0.09 -1.53 121.20 121.61 1al3 s ILE 170 Ca 0.32 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1al3 s ILE 170 Cb -0.07 -2.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 1al3 s ILE 170 CO 0.20 0.41 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.39 1al3 s VAL 171 N 1.15 1.95 0.25 2.92 1.01 0.07 0.61 120.40 128.35 1al3 s VAL 171 Ca 0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 1al3 s VAL 171 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1al3 s VAL 171 CO 0.02 0.55 0.30 0.68 0.00 0.00 0.00 175.10 176.65 1al3 s VAL 172 N -0.36 0.00 0.54 2.92 -7.23 -0.85 -0.47 120.40 114.96 1al3 s VAL 172 Ca 0.03 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1al3 s VAL 172 Cb -0.11 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1al3 s VAL 172 CO 0.01 0.00 0.86 0.42 -0.31 0.00 0.00 175.10 176.08 1al3 s THR 173 N -3.88 4.29 0.53 5.32 -4.23 -1.26 0.00 115.64 116.42 1al3 s THR 173 Ca 0.33 0.14 0.25 0.00 -1.18 0.00 0.00 61.69 61.23 1al3 s THR 173 Cb 0.03 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.52 1al3 s THR 173 CO 0.14 -0.68 2.18 -0.65 -0.54 0.00 0.00 174.62 175.07 1al3 h PRO 174 N -0.00 0.00 -0.00 3.99 0.11 -1.94 -1.79 132.00 132.37 1al3 h PRO 174 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1al3 h PRO 174 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1al3 h PRO 174 CO 0.61 0.04 -0.20 -0.85 -0.21 0.00 0.00 178.00 177.39 1al3 n GLU 175 N -4.00 0.07 -2.36 1.05 0.00 -1.26 -4.71 120.64 109.43 1al3 n GLU 175 Ca -0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 57.16 56.75 1al3 n GLU 175 Cb 0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.05 1al3 n GLU 175 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1al3 s HIS 176 N -2.95 2.93 0.47 -1.84 2.46 -0.67 -4.91 115.29 110.79 1al3 s HIS 176 Ca 0.14 1.57 0.20 0.00 0.47 0.00 0.00 55.06 57.44 1al3 s HIS 176 Cb 0.19 -3.27 1.21 0.00 -0.13 0.00 0.00 32.58 30.58 1al3 s HIS 176 CO 0.59 -1.24 1.96 -1.35 -2.47 0.00 0.00 174.74 172.23 1al3 h PRO 177 N 1.91 0.22 0.00 2.88 0.10 -1.90 0.25 132.00 135.46 1al3 h PRO 177 Ca -0.49 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.59 1al3 h PRO 177 Cb 1.24 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1al3 h PRO 177 CO 0.60 0.15 0.00 -0.07 0.10 0.00 0.00 178.00 178.77 1al3 h LEU 178 N 0.23 0.00 -1.86 2.35 3.38 -1.92 -3.37 115.31 114.12 1al3 h LEU 178 Ca 0.31 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.43 1al3 h LEU 178 Cb 0.90 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1al3 h LEU 178 CO -0.06 0.00 0.42 0.00 0.09 0.00 0.00 178.44 178.89 1al3 h ALA 179 N 2.21 2.37 -0.17 1.53 0.00 -0.74 0.11 119.26 124.57 1al3 h ALA 179 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1al3 h ALA 179 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1al3 h ALA 179 CO 0.00 -0.54 0.00 0.25 0.00 0.00 0.00 179.25 178.96 1al3 n THR 180 N -4.41 0.20 0.20 0.00 -2.24 -1.26 -4.35 114.28 102.42 1al3 n THR 180 Ca 0.11 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1al3 n THR 180 Cb 0.58 1.29 0.14 0.00 -2.10 0.00 0.00 70.33 70.24 1al3 n THR 180 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1al3 h LYS 181 N 4.52 0.00 0.00 -0.78 3.64 -0.98 -3.46 116.57 119.51 1al3 h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1al3 h LYS 181 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1al3 h LYS 181 CO 0.00 0.07 0.00 0.41 -2.27 0.00 0.00 179.45 177.66 1al3 n GLY 182 N 1.12 0.51 2.97 5.01 0.00 -1.25 -4.81 105.19 108.75 1al3 n GLY 182 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1al3 n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1al3 s SER 183 N 0.00 0.22 0.21 1.61 0.01 -1.26 -3.92 113.70 110.56 1al3 s SER 183 Ca 0.00 -0.45 0.09 0.00 1.31 0.00 0.00 55.95 56.90 1al3 s SER 183 Cb 0.00 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 1al3 s SER 183 CO 0.00 -0.28 -0.18 0.68 0.41 0.00 0.00 173.24 173.87 1al3 s VAL 184 N -1.34 2.00 0.36 3.43 -7.23 -1.26 -5.08 120.40 111.29 1al3 s VAL 184 Ca -0.15 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 57.95 1al3 s VAL 184 Cb -0.09 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1al3 s VAL 184 CO -0.01 -0.41 0.38 -0.94 -0.31 0.00 0.00 175.10 173.82 1al3 s SER 185 N -3.09 5.43 0.40 4.85 1.04 -1.26 -4.79 113.70 116.29 1al3 s SER 185 Ca 0.22 -0.47 0.12 0.00 0.48 0.00 0.00 55.95 56.29 1al3 s SER 185 Cb -0.04 -0.90 0.84 0.00 0.10 0.00 0.00 66.02 66.02 1al3 s SER 185 CO 0.09 -0.49 1.92 -0.29 0.98 0.00 0.00 173.24 175.46 1al3 h ILE 186 N 1.05 1.18 -0.27 -1.02 2.10 -1.98 0.28 117.51 118.84 1al3 h ILE 186 Ca -0.44 -0.82 -0.13 0.00 1.08 0.00 0.00 64.86 64.55 1al3 h ILE 186 Cb 1.26 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 38.32 1al3 h ILE 186 CO 0.55 0.24 -0.38 -0.33 -1.08 0.00 0.00 178.15 177.16 1al3 h GLU 187 N 0.11 0.63 -0.11 2.19 3.07 -1.99 -0.86 114.58 117.61 1al3 h GLU 187 Ca 0.02 -0.31 -0.06 0.00 -0.50 0.00 0.00 59.36 58.51 1al3 h GLU 187 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1al3 h GLU 187 CO 0.03 0.91 -0.17 0.93 -1.40 0.00 0.00 179.01 179.30 1al3 h GLU 188 N 0.52 0.32 -0.97 2.33 5.08 -1.72 -2.99 114.58 117.16 1al3 h GLU 188 Ca 0.05 -0.19 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1al3 h GLU 188 Cb 0.89 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 1al3 h GLU 188 CO 0.08 0.77 0.62 1.25 -1.00 0.00 0.00 179.01 180.72 1al3 h LEU 189 N -0.10 0.92 -2.45 1.33 5.85 -0.22 -1.15 115.31 119.49 1al3 h LEU 189 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1al3 h LEU 189 Cb 0.74 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1al3 h LEU 189 CO 0.04 0.54 0.07 0.00 -0.34 0.00 0.00 178.44 178.75 1al3 h ALA 190 N 1.52 1.07 -0.47 1.25 0.00 -1.00 -2.59 119.26 119.03 1al3 h ALA 190 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1al3 h ALA 190 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1al3 h ALA 190 CO -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1al3 n GLN 191 N -2.85 2.37 -4.44 0.00 10.64 -0.43 -4.44 117.38 118.22 1al3 n GLN 191 Ca -0.02 -1.81 -0.25 0.00 -1.83 0.00 0.00 57.00 53.08 1al3 n GLN 191 Cb 0.13 -1.48 -0.11 0.00 -0.86 0.00 0.00 30.24 27.92 1al3 n GLN 191 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1al3 s TYR 192 N -1.48 2.31 0.25 2.61 2.02 -0.98 -5.11 117.35 116.98 1al3 s TYR 192 Ca 0.33 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 1al3 s TYR 192 Cb 0.19 -1.06 -0.10 0.00 -0.40 0.00 0.00 41.96 40.59 1al3 s TYR 192 CO 0.20 0.62 1.33 -1.25 -1.57 0.00 0.00 175.55 174.89 1al3 s PRO 193 N -3.15 4.36 0.05 -1.71 0.04 -1.26 -4.37 135.00 128.96 1al3 s PRO 193 Ca 0.26 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.49 1al3 s PRO 193 Cb -0.06 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1al3 s PRO 193 CO 0.13 -0.26 -0.04 -0.51 0.04 0.00 0.00 177.00 176.37 1al3 s LEU 194 N -0.68 3.32 -0.12 -3.56 1.43 0.93 -0.31 118.68 119.69 1al3 s LEU 194 Ca 0.55 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1al3 s LEU 194 Cb -0.39 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 43.86 1al3 s LEU 194 CO 0.43 0.22 -0.12 -0.69 0.23 0.00 0.00 176.35 176.43 1al3 s VAL 195 N -1.17 1.30 0.15 -1.59 1.01 0.26 -0.54 120.40 119.83 1al3 s VAL 195 Ca 0.22 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1al3 s VAL 195 Cb -0.11 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1al3 s VAL 195 CO 0.13 0.41 0.44 1.07 0.00 0.00 0.00 175.10 177.16 1al3 n THR 196 N 4.64 0.00 -2.22 3.92 5.66 -0.45 -0.70 114.28 125.12 1al3 n THR 196 Ca -0.16 -0.40 -0.37 0.00 -3.05 0.00 0.00 64.05 60.07 1al3 n THR 196 Cb 0.50 0.44 -0.01 0.00 -1.55 0.00 0.00 70.33 69.72 1al3 n THR 196 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1al3 s TYR 197 N -4.94 2.86 0.88 1.09 2.02 -1.26 -0.84 117.35 117.15 1al3 s TYR 197 Ca 0.09 1.52 -0.13 0.00 -0.37 0.00 0.00 57.07 58.19 1al3 s TYR 197 Cb -0.02 -3.42 0.12 0.00 -0.40 0.00 0.00 41.96 38.24 1al3 s TYR 197 CO 0.04 -1.60 1.17 -0.08 -1.57 0.00 0.00 175.55 173.51 1al3 s THR 198 N -1.49 1.99 0.19 -0.71 -1.32 0.54 -4.60 115.64 110.24 1al3 s THR 198 Ca 0.63 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.78 1al3 s THR 198 Cb -0.30 -2.87 -0.14 0.00 -1.51 0.00 0.00 72.50 67.68 1al3 s THR 198 CO 0.37 0.00 1.37 0.49 -2.21 0.00 0.00 174.62 174.64 1al3 n PHE 199 N -3.60 1.91 -0.62 9.09 3.72 -1.26 -2.52 117.46 124.19 1al3 n PHE 199 Ca 0.08 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 1al3 n PHE 199 Cb 0.60 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.72 1al3 n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1al3 n GLY 200 N 2.39 0.77 3.38 1.37 0.00 -1.26 -5.01 105.19 106.83 1al3 n GLY 200 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1al3 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1al3 s PHE 201 N -2.78 2.65 -0.88 1.61 0.40 -1.05 -4.78 117.98 113.16 1al3 s PHE 201 Ca 0.00 -0.47 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1al3 s PHE 201 Cb 0.00 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.88 1al3 s PHE 201 CO 0.00 -0.05 0.50 2.41 0.70 0.00 0.00 175.22 178.78 1al3 n THR 202 N 2.85 -1.96 -1.54 0.64 -1.04 -1.26 -1.33 114.28 110.64 1al3 n THR 202 Ca -0.17 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.05 61.29 1al3 n THR 202 Cb 0.52 -1.67 -0.05 0.00 -1.82 0.00 0.00 70.33 67.31 1al3 n THR 202 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1al3 n GLY 203 N -1.78 1.13 0.37 3.41 0.00 -1.26 -4.89 105.19 102.18 1al3 n GLY 203 Ca -0.09 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.66 1al3 n GLY 203 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1al3 h ARG 204 N 0.00 0.64 0.00 1.61 9.65 -1.49 -1.92 114.38 122.87 1al3 h ARG 204 Ca -0.28 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.55 1al3 h ARG 204 Cb 0.94 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1al3 h ARG 204 CO 0.40 0.43 -0.06 0.66 2.80 0.00 0.00 179.97 184.19 1al3 h SER 205 N 0.66 0.00 0.52 -3.80 4.64 -1.90 0.39 113.55 114.06 1al3 h SER 205 Ca 0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.66 1al3 h SER 205 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1al3 h SER 205 CO -0.19 0.06 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.08 1al3 h GLU 206 N 0.00 0.00 -0.04 4.77 4.39 -1.73 0.12 114.58 122.08 1al3 h GLU 206 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1al3 h GLU 206 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1al3 h GLU 206 CO 0.01 0.42 -0.08 1.25 -1.16 0.00 0.00 179.01 179.44 1al3 h LEU 207 N 0.00 0.15 -1.04 1.33 6.46 -0.33 -2.50 115.31 119.38 1al3 h LEU 207 Ca -0.00 -0.56 -0.05 0.00 -0.12 0.00 0.00 57.88 57.15 1al3 h LEU 207 Cb 0.79 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1al3 h LEU 207 CO 0.05 0.68 0.16 0.44 -0.62 0.00 0.00 178.44 179.16 1al3 h ASP 208 N -0.38 0.79 -0.01 1.25 3.32 -1.27 -1.84 116.42 118.29 1al3 h ASP 208 Ca 0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1al3 h ASP 208 Cb 0.65 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1al3 h ASP 208 CO 0.02 0.76 0.01 0.74 -1.72 0.00 0.00 179.24 179.04 1al3 h THR 209 N 0.83 1.09 -0.81 0.35 2.02 -0.80 0.12 112.91 115.71 1al3 h THR 209 Ca 0.19 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1al3 h THR 209 Cb 0.26 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1al3 h THR 209 CO -0.01 0.07 0.52 0.00 0.37 0.00 0.00 175.52 176.48 1al3 h ALA 210 N 0.90 1.05 0.05 6.16 0.00 -0.97 0.10 119.26 126.55 1al3 h ALA 210 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1al3 h ALA 210 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1al3 h ALA 210 CO -0.00 0.37 -0.02 0.74 0.00 0.00 0.00 179.25 180.34 1al3 h PHE 211 N 1.04 -0.06 -0.53 0.00 0.04 -1.17 -1.92 116.94 114.34 1al3 h PHE 211 Ca 0.31 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.16 1al3 h PHE 211 Cb -0.04 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 1al3 h PHE 211 CO -0.02 0.28 0.20 -0.91 -0.60 0.00 0.00 178.31 177.25 1al3 h ASN 212 N -0.39 0.21 -0.88 2.17 -0.26 -0.49 -0.29 115.58 115.65 1al3 h ASN 212 Ca -0.01 0.06 0.08 0.00 -0.56 0.00 0.00 56.30 55.88 1al3 h ASN 212 Cb 0.36 0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.60 1al3 h ASN 212 CO 0.01 0.14 0.57 0.03 -1.06 0.00 0.00 177.43 177.12 1al3 h ARG 213 N 0.38 0.90 -0.00 0.81 3.08 -0.64 -1.83 114.38 117.08 1al3 h ARG 213 Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1al3 h ARG 213 Cb 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1al3 h ARG 213 CO -0.25 0.59 -0.06 0.00 -1.07 0.00 0.00 179.97 179.17 1al3 n ALA 214 N -2.41 2.61 -1.82 0.04 0.00 -0.24 -4.92 120.51 113.78 1al3 n ALA 214 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1al3 n ALA 214 Cb 0.26 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 1al3 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al3 n GLY 215 N 1.33 0.43 3.58 0.00 0.00 -0.69 -5.02 105.19 104.83 1al3 n GLY 215 Ca 0.13 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1al3 n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1al3 s LEU 216 N -2.49 3.02 -0.22 0.99 1.43 -0.51 -5.03 118.68 115.87 1al3 s LEU 216 Ca 0.00 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1al3 s LEU 216 Cb 0.00 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1al3 s LEU 216 CO 0.00 0.11 -0.03 0.42 0.23 0.00 0.00 176.35 177.08 1al3 s THR 217 N -1.66 3.54 0.27 5.49 -4.23 -1.26 -4.12 115.64 113.67 1al3 s THR 217 Ca 0.25 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 60.03 1al3 s THR 217 Cb -0.09 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 1al3 s THR 217 CO 0.15 0.42 1.20 -2.16 -0.54 0.00 0.00 174.62 173.69 1al3 s PRO 218 N 1.38 4.51 -1.17 3.99 0.04 -1.26 -4.92 135.00 137.57 1al3 s PRO 218 Ca 0.05 1.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1al3 s PRO 218 Cb -0.14 -3.16 0.23 0.00 0.04 0.00 0.00 34.50 31.47 1al3 s PRO 218 CO -0.01 0.00 1.47 -2.13 0.04 0.00 0.00 177.00 176.37 1al3 n ARG 219 N 1.43 3.76 -2.74 4.56 0.63 -1.26 -4.98 116.66 118.06 1al3 n ARG 219 Ca 0.01 -4.12 -0.43 0.00 -0.92 0.00 0.00 57.85 52.39 1al3 n ARG 219 Cb 0.44 -2.75 -0.03 0.00 0.45 0.00 0.00 32.46 30.57 1al3 n ARG 219 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1al3 s ILE 220 N -0.58 4.40 -0.27 5.15 1.01 -1.26 -0.05 121.20 129.60 1al3 s ILE 220 Ca 0.36 1.03 0.22 0.00 0.00 0.00 0.00 60.65 62.26 1al3 s ILE 220 Cb 0.00 -4.47 -0.18 0.00 0.01 0.00 0.00 42.46 37.82 1al3 s ILE 220 CO 0.01 -0.82 0.79 1.33 0.00 0.00 0.00 174.94 176.25 1al3 n VAL 221 N 6.46 0.23 -3.64 2.92 0.24 0.30 -4.88 118.33 119.96 1al3 n VAL 221 Ca 0.09 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1al3 n VAL 221 Cb 0.48 -0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.73 1al3 n VAL 221 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1al3 s PHE 222 N -3.38 -0.59 0.18 6.34 2.19 -1.15 -5.05 117.98 116.53 1al3 s PHE 222 Ca -0.02 1.17 0.09 0.00 0.33 0.00 0.00 56.93 58.50 1al3 s PHE 222 Cb 0.13 0.09 -0.04 0.00 -1.31 0.00 0.00 43.02 41.89 1al3 s PHE 222 CO 0.85 -0.43 -0.13 0.95 1.83 0.00 0.00 175.22 178.28 1al3 s THR 223 N 2.50 3.00 0.11 0.12 -4.23 -1.25 -1.34 115.64 114.54 1al3 s THR 223 Ca 0.01 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1al3 s THR 223 Cb -0.12 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1al3 s THR 223 CO -0.11 -0.11 0.28 0.00 -0.54 0.00 0.00 174.62 174.14 1al3 s ALA 224 N -1.70 -0.47 -2.75 3.99 0.00 -0.02 -4.79 121.76 116.03 1al3 s ALA 224 Ca 0.24 -0.43 0.26 0.00 0.00 0.00 0.00 51.96 52.02 1al3 s ALA 224 Cb -0.09 0.59 0.56 0.00 0.00 0.00 0.00 23.12 24.19 1al3 s ALA 224 CO 0.14 -0.57 1.47 0.25 0.00 0.00 0.00 175.76 177.05 1al3 n THR 225 N -0.13 0.00 -3.72 0.00 -2.24 -1.26 -0.34 114.28 106.58 1al3 n THR 225 Ca -0.15 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1al3 n THR 225 Cb 0.63 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 1al3 n THR 225 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1al3 s ASP 226 N -2.01 -0.14 0.41 3.42 1.47 -1.26 -4.90 116.67 113.65 1al3 s ASP 226 Ca 0.32 -0.27 0.19 0.00 1.18 0.00 0.00 52.55 53.97 1al3 s ASP 226 Cb 0.20 0.40 0.90 0.00 -0.34 0.00 0.00 42.92 44.08 1al3 s ASP 226 CO 0.32 -0.71 1.85 0.00 0.68 0.00 0.00 175.17 177.32 1al3 h ALA 227 N 2.85 1.20 -0.60 2.11 0.00 -1.97 -2.76 119.26 120.10 1al3 h ALA 227 Ca -0.33 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1al3 h ALA 227 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1al3 h ALA 227 CO 0.48 0.38 0.04 -0.44 0.00 0.00 0.00 179.25 179.71 1al3 h ASP 228 N 0.00 0.99 -0.46 0.00 3.32 -1.96 0.25 116.42 118.56 1al3 h ASP 228 Ca -0.00 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1al3 h ASP 228 Cb 0.67 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1al3 h ASP 228 CO 0.04 1.02 -0.04 0.58 -1.72 0.00 0.00 179.24 179.12 1al3 h VAL 229 N 0.94 1.27 -0.25 -1.35 2.07 -1.96 -1.83 116.25 115.14 1al3 h VAL 229 Ca 0.18 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1al3 h VAL 229 Cb 0.49 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1al3 h VAL 229 CO 0.02 0.38 0.16 0.40 0.02 0.00 0.00 177.57 178.56 1al3 h ILE 230 N 0.68 1.05 -0.15 4.57 2.04 -1.21 -1.94 117.51 122.56 1al3 h ILE 230 Ca 0.13 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 1al3 h ILE 230 Cb 0.55 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1al3 h ILE 230 CO 0.03 0.06 -0.37 0.11 0.00 0.00 0.00 178.15 177.98 1al3 h LYS 231 N 0.33 0.32 -0.59 2.37 1.57 -0.85 0.12 116.57 119.84 1al3 h LYS 231 Ca 0.09 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1al3 h LYS 231 Cb -0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1al3 h LYS 231 CO -0.03 0.65 0.29 1.15 -0.57 0.00 0.00 179.45 180.94 1al3 h THR 232 N 0.27 0.91 0.00 -0.16 2.02 -0.59 -0.55 112.91 114.81 1al3 h THR 232 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1al3 h THR 232 Cb 0.78 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1al3 h THR 232 CO 0.06 0.10 -0.60 -1.22 0.37 0.00 0.00 175.52 174.23 1al3 n TYR 233 N -4.88 0.19 -0.19 3.16 4.02 -0.87 -2.10 117.16 116.50 1al3 n TYR 233 Ca 0.07 0.06 -0.09 0.00 -0.01 0.00 0.00 57.90 57.93 1al3 n TYR 233 Cb 0.19 -0.39 0.04 0.00 -0.02 0.00 0.00 39.34 39.16 1al3 n TYR 233 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1al3 h VAL 234 N 0.00 1.27 -0.51 -0.72 2.07 -0.65 -1.95 116.25 115.76 1al3 h VAL 234 Ca 0.00 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1al3 h VAL 234 Cb 0.60 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1al3 h VAL 234 CO 0.00 0.43 0.21 0.03 0.02 0.00 0.00 177.57 178.26 1al3 h ARG 235 N 0.93 0.72 0.00 1.57 3.08 -0.97 -1.67 114.38 118.04 1al3 h ARG 235 Ca 0.15 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1al3 h ARG 235 Cb 0.61 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1al3 h ARG 235 CO 0.04 0.59 0.00 1.28 -1.07 0.00 0.00 179.97 180.81 1al3 n LEU 236 N -4.35 0.00 0.00 3.04 4.77 -0.89 -4.92 117.00 114.64 1al3 n LEU 236 Ca 0.04 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1al3 n LEU 236 Cb 0.15 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1al3 n LEU 236 CO 0.38 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1al3 n GLY 237 N 0.76 0.80 0.19 -0.72 0.00 -0.63 -4.96 105.19 100.64 1al3 n GLY 237 Ca 0.14 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1al3 n GLY 237 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1al3 h LEU 238 N 0.00 0.00 0.00 0.99 4.07 -1.54 -3.48 115.31 115.35 1al3 h LEU 238 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1al3 h LEU 238 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1al3 h LEU 238 CO 0.00 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 1al3 n GLY 239 N 1.12 -1.73 3.74 0.83 0.00 -1.26 -4.81 105.19 103.09 1al3 n GLY 239 Ca 0.03 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1al3 n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1al3 s VAL 240 N -2.59 4.83 -0.03 1.61 1.01 0.58 -4.60 120.40 121.21 1al3 s VAL 240 Ca 0.00 1.53 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 1al3 s VAL 240 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1al3 s VAL 240 CO 0.00 0.35 0.44 -0.83 0.00 0.00 0.00 175.10 175.06 1al3 s GLY 241 N 0.12 2.47 -0.24 4.51 0.00 0.38 -0.57 107.32 113.98 1al3 s GLY 241 Ca 0.37 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1al3 s GLY 241 CO 0.21 0.37 -0.10 0.14 0.00 0.00 0.00 173.10 173.72 1al3 s VAL 242 N -0.54 1.92 0.09 1.40 1.01 0.12 -0.75 120.40 123.64 1al3 s VAL 242 Ca 0.25 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1al3 s VAL 242 Cb -0.16 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1al3 s VAL 242 CO 0.13 -0.01 0.14 0.27 0.00 0.00 0.00 175.10 175.63 1al3 s ILE 243 N 1.23 0.15 0.24 2.22 -4.36 -0.58 -4.34 121.20 115.75 1al3 s ILE 243 Ca -0.07 -1.40 -0.31 0.00 -0.26 0.00 0.00 60.65 58.61 1al3 s ILE 243 Cb -0.19 -1.50 -0.12 0.00 1.25 0.00 0.00 42.46 41.90 1al3 s ILE 243 CO -0.06 -0.67 1.59 0.00 0.24 0.00 0.00 174.94 176.04 1al3 n ALA 244 N -0.05 2.12 -0.00 2.27 0.00 -1.26 0.72 120.51 124.31 1al3 n ALA 244 Ca -0.13 0.40 0.20 0.00 0.00 0.00 0.00 53.44 53.91 1al3 n ALA 244 Cb 0.62 -2.42 0.68 0.00 0.00 0.00 0.00 19.45 18.33 1al3 n ALA 244 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1al3 h SER 245 N 5.35 0.02 0.66 0.00 0.02 -1.16 -1.60 113.55 116.84 1al3 h SER 245 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1al3 h SER 245 Cb 1.23 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1al3 h SER 245 CO 0.84 0.01 0.00 1.15 -1.14 0.00 0.00 176.83 177.69 1al3 n MET 246 N -4.39 0.29 -0.00 3.45 -0.00 -1.26 -2.19 117.12 113.01 1al3 n MET 246 Ca 0.10 0.02 0.15 0.00 -0.00 0.00 0.00 57.70 57.96 1al3 n MET 246 Cb 0.59 -1.50 0.69 0.00 -0.00 0.00 0.00 33.22 33.00 1al3 n MET 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1al3 n ALA 247 N -1.35 2.62 -2.77 3.17 0.00 -0.60 -4.74 120.51 116.84 1al3 n ALA 247 Ca 0.11 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 53.05 1al3 n ALA 247 Cb 0.25 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 1al3 n ALA 247 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1al3 s VAL 248 N -1.99 0.70 0.20 0.00 -7.23 -0.93 -5.00 120.40 106.15 1al3 s VAL 248 Ca 0.42 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.50 1al3 s VAL 248 Cb 0.21 -0.68 0.05 0.00 0.56 0.00 0.00 36.38 36.52 1al3 s VAL 248 CO 0.34 -0.14 0.76 1.51 -0.31 0.00 0.00 175.10 177.27 1al3 s ASP 249 N -1.10 -0.32 0.00 4.85 1.47 -1.26 -4.97 116.67 115.35 1al3 s ASP 249 Ca -0.03 -0.37 0.26 0.00 1.18 0.00 0.00 52.55 53.58 1al3 s ASP 249 Cb -0.07 0.62 1.34 0.00 -0.34 0.00 0.00 42.92 44.46 1al3 s ASP 249 CO 0.01 -1.10 1.87 -2.65 0.68 0.00 0.00 175.17 173.98 1al3 n PRO 250 N -0.43 0.45 -0.07 2.11 -0.02 -1.26 -0.81 135.00 134.97 1al3 n PRO 250 Ca -0.08 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1al3 n PRO 250 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1al3 n PRO 250 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1al3 n VAL 251 N -1.23 0.88 0.06 -1.45 0.31 -1.26 -3.72 118.33 111.92 1al3 n VAL 251 Ca 0.14 -0.41 -0.07 0.00 -0.01 0.00 0.00 64.34 63.99 1al3 n VAL 251 Cb 0.18 -0.92 -0.12 0.00 -0.91 0.00 0.00 33.84 32.07 1al3 n VAL 251 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1al3 h SER 252 N 0.00 0.00 -1.89 4.52 0.02 -1.97 -3.37 113.55 110.85 1al3 h SER 252 Ca -0.35 -0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.08 1al3 h SER 252 Cb 1.62 -0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.75 1al3 h SER 252 CO -0.03 1.00 -0.90 0.47 -1.14 0.00 0.00 176.83 176.23 1al3 n ASP 253 N -3.34 3.02 0.17 3.07 8.00 0.01 -4.88 116.55 122.60 1al3 n ASP 253 Ca -0.00 -3.36 0.15 0.00 0.71 0.00 0.00 54.79 52.29 1al3 n ASP 253 Cb 0.94 -0.56 0.73 0.00 -0.02 0.00 0.00 41.12 42.22 1al3 n ASP 253 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1al3 h PRO 254 N 2.92 0.00 -0.17 -0.24 0.13 -1.70 -2.67 132.00 130.26 1al3 h PRO 254 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1al3 h PRO 254 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1al3 h PRO 254 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1al3 n ASP 255 N -4.22 1.07 -4.32 1.44 5.75 -1.26 -4.82 116.55 110.19 1al3 n ASP 255 Ca 0.02 -1.87 -0.29 0.00 -0.01 0.00 0.00 54.79 52.64 1al3 n ASP 255 Cb 0.32 -0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 40.15 1al3 n ASP 255 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1al3 s LEU 256 N -1.18 2.17 -0.17 -2.12 1.43 -1.01 -4.36 118.68 113.43 1al3 s LEU 256 Ca 0.19 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1al3 s LEU 256 Cb 0.10 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1al3 s LEU 256 CO 0.14 0.24 0.12 -0.69 0.23 0.00 0.00 176.35 176.39 1al3 s VAL 257 N -0.80 5.33 -0.31 -1.59 1.01 0.10 -4.95 120.40 119.19 1al3 s VAL 257 Ca 0.11 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1al3 s VAL 257 Cb -0.10 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1al3 s VAL 257 CO 0.02 0.49 0.15 -0.75 0.00 0.00 0.00 175.10 175.01 1al3 s LYS 258 N -0.03 3.26 -0.05 2.72 2.20 -1.26 -2.00 119.74 124.57 1al3 s LYS 258 Ca 0.09 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 1al3 s LYS 258 Cb -0.11 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1al3 s LYS 258 CO -0.00 -0.45 0.12 -0.51 -0.36 0.00 0.00 175.35 174.16 1al3 s LEU 259 N 1.59 4.17 0.26 5.43 1.43 0.20 -4.96 118.68 126.80 1al3 s LEU 259 Ca 0.04 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1al3 s LEU 259 Cb -0.17 -2.28 0.33 0.00 0.03 0.00 0.00 46.19 44.10 1al3 s LEU 259 CO 0.06 0.32 1.61 -0.78 0.23 0.00 0.00 176.35 177.79 1al3 h ASP 260 N 4.38 0.22 -6.67 2.29 3.58 -1.85 -0.22 116.42 118.16 1al3 h ASP 260 Ca -0.51 -0.12 -0.54 0.00 0.42 0.00 0.00 57.03 56.29 1al3 h ASP 260 Cb 1.20 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.10 1al3 h ASP 260 CO 0.62 0.73 -0.93 0.00 -2.88 0.00 0.00 179.24 176.79 1al3 n ALA 261 N -2.46 -2.11 -0.24 -0.78 0.00 -1.26 -4.68 120.51 108.98 1al3 n ALA 261 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1al3 n ALA 261 Cb 0.58 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1al3 n ALA 261 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1al3 n ASN 262 N -2.87 0.00 0.17 0.00 2.04 -1.26 -4.00 115.26 109.34 1al3 n ASN 262 Ca -0.28 0.84 0.05 0.00 -0.44 0.00 0.00 54.58 54.75 1al3 n ASN 262 Cb 0.67 -0.38 0.11 0.00 -2.53 0.00 0.00 39.78 37.65 1al3 n ASN 262 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1al3 h GLY 263 N 0.00 0.00 0.76 4.83 0.00 -1.94 -3.37 103.07 103.34 1al3 h GLY 263 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1al3 h GLY 263 CO 0.00 0.00 0.02 -2.22 0.00 0.00 0.00 176.54 174.34 1al3 h ILE 264 N 0.00 0.90 -3.95 2.60 2.04 -1.93 -3.40 117.51 113.77 1al3 h ILE 264 Ca -0.00 -0.03 -0.69 0.00 1.00 0.00 0.00 64.86 65.14 1al3 h ILE 264 Cb 1.23 0.79 -0.22 0.00 -0.74 0.00 0.00 36.82 37.89 1al3 h ILE 264 CO 0.05 0.02 -0.83 -0.36 0.00 0.00 0.00 178.15 177.03 1al3 s PHE 265 N -6.19 2.47 0.77 1.37 0.08 -1.26 -4.81 117.98 110.41 1al3 s PHE 265 Ca -0.13 -0.31 -0.11 0.00 0.12 0.00 0.00 56.93 56.50 1al3 s PHE 265 Cb 0.09 -1.38 0.05 0.00 -0.57 0.00 0.00 43.02 41.22 1al3 s PHE 265 CO 0.69 0.28 1.10 -1.12 -0.10 0.00 0.00 175.22 176.06 1al3 s SER 266 N -1.70 4.49 0.64 1.36 0.01 -1.26 -4.93 113.70 112.31 1al3 s SER 266 Ca 0.15 1.86 -0.12 0.00 1.31 0.00 0.00 55.95 59.15 1al3 s SER 266 Cb -0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1al3 s SER 266 CO 0.06 -2.05 1.04 -1.38 0.41 0.00 0.00 173.24 171.33 1al3 s HIS 267 N -2.83 3.24 0.40 2.43 -3.43 -1.26 -4.87 115.29 108.97 1al3 s HIS 267 Ca 0.62 1.41 0.08 0.00 -0.80 0.00 0.00 55.06 56.37 1al3 s HIS 267 Cb -0.18 -2.86 -0.02 0.00 -1.43 0.00 0.00 32.58 28.09 1al3 s HIS 267 CO 0.55 -1.00 0.38 -1.12 -2.00 0.00 0.00 174.74 171.54 1al3 s SER 268 N -3.61 5.13 -0.06 7.38 0.01 0.15 -4.93 113.70 117.77 1al3 s SER 268 Ca 0.58 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1al3 s SER 268 Cb -0.13 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.48 1al3 s SER 268 CO 0.49 -0.61 0.01 -0.89 0.41 0.00 0.00 173.24 172.64 1al3 s THR 269 N -2.44 0.32 -0.05 1.44 2.01 -1.26 -1.23 115.64 114.43 1al3 s THR 269 Ca 0.47 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 1al3 s THR 269 Cb -0.04 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1al3 s THR 269 CO 0.28 0.24 0.79 -0.89 -0.69 0.00 0.00 174.62 174.35 1al3 s THR 270 N 1.89 4.99 0.26 -0.82 2.01 0.25 -4.47 115.64 119.75 1al3 s THR 270 Ca 0.03 1.63 0.12 0.00 0.31 0.00 0.00 61.69 63.79 1al3 s THR 270 Cb -0.12 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1al3 s THR 270 CO -0.05 0.22 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.36 1al3 s LYS 271 N 0.87 1.65 -0.08 4.92 1.02 0.10 -0.59 119.74 127.62 1al3 s LYS 271 Ca 0.42 -1.71 0.04 0.00 0.02 0.00 0.00 55.97 54.74 1al3 s LYS 271 Cb -0.19 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1al3 s LYS 271 CO 0.21 0.35 -0.22 -1.50 -0.92 0.00 0.00 175.35 173.27 1al3 s ILE 272 N -2.32 2.31 0.04 2.17 2.07 -0.27 -1.98 121.20 123.22 1al3 s ILE 272 Ca 0.28 -0.95 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 1al3 s ILE 272 Cb -0.06 -1.88 -0.02 0.00 0.13 0.00 0.00 42.46 40.63 1al3 s ILE 272 CO 0.14 0.56 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.77 1al3 s GLY 273 N 0.06 0.74 -0.01 1.50 0.00 0.33 0.09 107.32 110.02 1al3 s GLY 273 Ca -0.09 -0.80 -0.24 0.00 0.00 0.00 0.00 44.72 43.59 1al3 s GLY 273 CO 0.06 -0.79 0.53 -0.11 0.00 0.00 0.00 173.10 172.78 1al3 s PHE 274 N -0.92 -0.46 0.13 1.90 -0.71 -0.87 -0.63 117.98 116.42 1al3 s PHE 274 Ca -0.00 0.70 -0.31 0.00 -1.04 0.00 0.00 56.93 56.28 1al3 s PHE 274 Cb -0.08 0.30 -0.08 0.00 -1.21 0.00 0.00 43.02 41.95 1al3 s PHE 274 CO 0.01 -0.55 1.33 1.03 -1.34 0.00 0.00 175.22 175.70 1al3 s ARG 275 N -1.55 4.36 0.39 1.99 0.52 -1.26 -0.13 118.95 123.27 1al3 s ARG 275 Ca -0.10 2.01 0.21 0.00 -0.52 0.00 0.00 55.73 57.33 1al3 s ARG 275 Cb -0.02 -3.25 1.23 0.00 0.52 0.00 0.00 34.95 33.43 1al3 s ARG 275 CO 0.05 -0.35 1.67 -0.09 0.02 0.00 0.00 175.30 176.60 1al3 h ARG 276 N 6.43 0.23 0.00 3.54 2.43 -1.50 -0.40 114.38 125.11 1al3 h ARG 276 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1al3 h ARG 276 Cb 1.21 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1al3 h ARG 276 CO 0.83 0.15 0.00 -1.13 -1.51 0.00 0.00 179.97 178.31 1al3 n SER 277 N -4.84 0.00 -4.73 -3.80 3.41 -1.26 -4.86 113.62 97.54 1al3 n SER 277 Ca 0.33 -0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 57.99 1al3 n SER 277 Cb 1.14 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1al3 n SER 277 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1al3 s THR 278 N -2.26 2.83 -0.18 6.66 2.01 -0.16 -4.96 115.64 119.57 1al3 s THR 278 Ca 0.35 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 1al3 s THR 278 Cb 0.19 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1al3 s THR 278 CO 0.37 0.08 1.01 -0.36 -0.69 0.00 0.00 174.62 175.03 1al3 s PHE 279 N 0.43 3.41 -0.12 4.92 0.08 -1.26 -5.01 117.98 120.43 1al3 s PHE 279 Ca 0.62 1.50 -0.23 0.00 0.12 0.00 0.00 56.93 58.94 1al3 s PHE 279 Cb -0.41 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1al3 s PHE 279 CO 0.38 -0.37 0.68 -0.51 -0.10 0.00 0.00 175.22 175.30 1al3 s LEU 280 N 2.69 4.24 0.30 -0.37 1.43 -1.26 -5.04 118.68 120.68 1al3 s LEU 280 Ca 0.45 1.06 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 1al3 s LEU 280 Cb -0.16 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1al3 s LEU 280 CO 0.11 -0.20 0.13 -0.13 0.23 0.00 0.00 176.35 176.49 1al3 s ARG 281 N 1.32 2.48 0.11 1.70 0.52 -1.26 -4.97 118.95 118.85 1al3 s ARG 281 Ca 0.34 -1.40 -0.21 0.00 -0.52 0.00 0.00 55.73 53.94 1al3 s ARG 281 Cb -0.17 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 1al3 s ARG 281 CO 0.14 0.23 1.11 -1.13 0.02 0.00 0.00 175.30 175.67 1al3 n SER 282 N -1.11 -0.72 0.28 0.23 3.41 -1.26 -1.01 113.62 113.44 1al3 n SER 282 Ca -0.05 1.27 0.16 0.00 -0.26 0.00 0.00 58.87 59.99 1al3 n SER 282 Cb 0.60 -0.19 0.79 0.00 -0.26 0.00 0.00 64.21 65.15 1al3 n SER 282 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1al3 h TYR 283 N 0.00 0.00 -0.11 7.33 -0.00 -1.99 -2.07 116.97 120.14 1al3 h TYR 283 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.69 1al3 h TYR 283 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.01 1al3 h TYR 283 CO -0.76 0.07 -0.52 0.52 -0.00 0.00 0.00 178.16 177.48 1al3 h MET 284 N 0.00 0.54 -0.67 0.10 2.86 -1.47 -0.18 114.93 116.12 1al3 h MET 284 Ca -0.00 -0.44 0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1al3 h MET 284 Cb 0.35 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1al3 h MET 284 CO 0.01 1.06 0.44 1.88 1.06 0.00 0.00 176.91 181.36 1al3 h TYR 285 N 0.14 0.79 0.23 -0.22 0.05 -0.94 -0.88 116.97 116.13 1al3 h TYR 285 Ca -0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1al3 h TYR 285 Cb 1.16 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1al3 h TYR 285 CO 0.11 0.47 -0.11 0.22 -1.05 0.00 0.00 178.16 177.80 1al3 h ASP 286 N 0.82 -0.26 -0.39 3.88 1.82 -1.23 -1.29 116.42 119.78 1al3 h ASP 286 Ca 0.26 -0.13 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 1al3 h ASP 286 Cb 0.02 0.07 -0.07 0.00 0.68 0.00 0.00 39.33 40.03 1al3 h ASP 286 CO -0.07 -0.02 -0.09 0.15 -1.61 0.00 0.00 179.24 177.61 1al3 h PHE 287 N -0.50 -0.19 -0.49 0.28 3.57 -0.55 0.11 116.94 119.17 1al3 h PHE 287 Ca -0.03 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1al3 h PHE 287 Cb 0.37 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1al3 h PHE 287 CO -0.01 -0.16 0.15 0.82 -2.23 0.00 0.00 178.31 176.88 1al3 h ILE 288 N 0.01 0.79 -0.27 1.41 2.04 -1.04 -2.06 117.51 118.38 1al3 h ILE 288 Ca 0.19 -0.11 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 1al3 h ILE 288 Cb 0.29 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1al3 h ILE 288 CO -0.39 0.06 -0.39 -0.61 0.00 0.00 0.00 178.15 176.81 1al3 h GLN 289 N 0.31 0.65 -0.94 2.37 4.15 -0.85 0.04 115.11 120.84 1al3 h GLN 289 Ca 0.24 -0.33 0.03 0.00 0.77 0.00 0.00 58.65 59.36 1al3 h GLN 289 Cb 0.28 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 1al3 h GLN 289 CO -0.27 0.93 0.62 -0.09 -1.93 0.00 0.00 178.83 178.09 1al3 h ARG 290 N 0.53 1.18 0.07 1.69 2.43 -0.57 -2.48 114.38 117.23 1al3 h ARG 290 Ca 0.05 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 1al3 h ARG 290 Cb 0.92 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1al3 h ARG 290 CO 0.08 0.78 -1.11 0.35 -1.51 0.00 0.00 179.97 178.57 1al3 h PHE 291 N 1.22 0.55 -2.29 2.20 3.57 -0.95 -3.38 116.94 117.85 1al3 h PHE 291 Ca 0.36 -0.35 -0.50 0.00 3.53 0.00 0.00 57.97 61.01 1al3 h PHE 291 Cb -0.05 -0.04 -0.36 0.00 2.79 0.00 0.00 35.95 38.29 1al3 h PHE 291 CO -0.01 1.22 -0.81 0.00 -2.23 0.00 0.00 178.31 176.48 1al3 s ALA 292 N -2.94 0.48 0.59 2.41 0.00 -0.04 -5.01 121.76 117.26 1al3 s ALA 292 Ca -0.05 -1.65 0.29 0.00 0.00 0.00 0.00 51.96 50.55 1al3 s ALA 292 Cb 0.08 -1.78 1.41 0.00 0.00 0.00 0.00 23.12 22.83 1al3 s ALA 292 CO 0.88 -2.10 1.81 -1.35 0.00 0.00 0.00 175.76 174.99 1al3 h PRO 293 N 6.70 0.00 0.00 0.00 0.11 -1.64 0.28 132.00 137.46 1al3 h PRO 293 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1al3 h PRO 293 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1al3 h PRO 293 CO 0.25 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.65 1al3 n HIS 294 N -3.64 0.75 -2.49 0.65 1.44 -1.26 -4.13 115.22 106.53 1al3 n HIS 294 Ca 0.11 0.26 -0.42 0.00 -2.01 0.00 0.00 57.72 55.66 1al3 n HIS 294 Cb 0.81 -0.93 0.01 0.00 0.12 0.00 0.00 29.99 30.00 1al3 n HIS 294 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1al3 n LEU 295 N -2.15 6.93 -4.74 2.39 4.77 0.99 -4.84 117.00 120.35 1al3 n LEU 295 Ca 0.04 -4.93 -0.29 0.00 -0.03 0.00 0.00 56.01 50.80 1al3 n LEU 295 Cb 0.30 -1.37 0.15 0.00 -2.33 0.00 0.00 43.42 40.17 1al3 n LEU 295 CO 0.23 1.66 0.68 0.42 -1.33 0.00 0.00 177.39 179.06 1al3 s THR 296 N -1.29 2.00 0.25 -5.08 -4.23 -1.26 -4.44 115.64 101.59 1al3 s THR 296 Ca 0.40 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1al3 s THR 296 Cb 0.11 -2.65 0.23 0.00 1.34 0.00 0.00 72.50 71.53 1al3 s THR 296 CO 0.00 0.00 1.77 0.03 -0.54 0.00 0.00 174.62 175.88 1al3 h ARG 297 N -1.68 0.62 -0.26 3.99 3.08 -1.93 -0.84 114.38 117.37 1al3 h ARG 297 Ca -0.52 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.40 1al3 h ARG 297 Cb 1.33 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1al3 h ARG 297 CO 0.60 0.41 -0.21 0.38 -1.07 0.00 0.00 179.97 180.08 1al3 h ASP 298 N 0.64 0.63 -0.41 7.04 2.03 -1.98 0.63 116.42 125.01 1al3 h ASP 298 Ca 0.44 -0.45 0.06 0.00 -0.73 0.00 0.00 57.03 56.34 1al3 h ASP 298 Cb 0.56 -0.18 -0.05 0.00 -0.83 0.00 0.00 39.33 38.83 1al3 h ASP 298 CO -0.33 0.95 0.09 0.58 -1.03 0.00 0.00 179.24 179.50 1al3 h VAL 299 N 0.32 0.80 0.31 4.15 2.07 -1.63 -1.37 116.25 120.91 1al3 h VAL 299 Ca 0.05 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1al3 h VAL 299 Cb 0.75 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1al3 h VAL 299 CO 0.05 0.04 -0.15 0.58 0.02 0.00 0.00 177.57 178.11 1al3 h VAL 300 N 0.22 0.70 -0.68 2.57 2.07 -0.84 -1.21 116.25 119.07 1al3 h VAL 300 Ca 0.20 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1al3 h VAL 300 Cb 0.23 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1al3 h VAL 300 CO -0.25 0.02 0.45 0.44 0.02 0.00 0.00 177.57 178.24 1al3 h ASP 301 N -0.46 0.70 0.18 0.57 3.32 -0.59 0.11 116.42 120.24 1al3 h ASP 301 Ca -0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1al3 h ASP 301 Cb 0.35 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1al3 h ASP 301 CO 0.07 0.48 -0.10 0.74 -1.72 0.00 0.00 179.24 178.71 1al3 h THR 302 N 0.81 0.79 -1.00 0.35 2.02 -1.13 -2.33 112.91 112.42 1al3 h THR 302 Ca 0.27 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.51 1al3 h THR 302 Cb 0.08 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 1al3 h THR 302 CO -0.08 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.46 1al3 h ALA 303 N 0.56 1.38 -0.23 6.16 0.00 -0.50 0.17 119.26 126.80 1al3 h ALA 303 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1al3 h ALA 303 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1al3 h ALA 303 CO 0.03 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.11 1al3 h VAL 304 N 1.21 1.11 -0.11 0.00 2.07 -0.56 -2.84 116.25 117.13 1al3 h VAL 304 Ca 0.41 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1al3 h VAL 304 Cb 0.09 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1al3 h VAL 304 CO -0.15 0.14 -0.21 0.00 0.02 0.00 0.00 177.57 177.37 1al3 h ALA 305 N 1.75 0.17 -2.08 1.67 0.00 -0.20 -3.45 119.26 117.11 1al3 h ALA 305 Ca 0.08 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 54.09 1al3 h ALA 305 Cb 0.12 -0.03 0.22 0.00 0.00 0.00 0.00 17.79 18.10 1al3 h ALA 305 CO -0.00 0.12 -0.79 1.28 0.00 0.00 0.00 179.25 179.85 1al3 n LEU 306 N -4.52 -1.08 -0.01 0.00 4.77 -0.24 -4.99 117.00 110.93 1al3 n LEU 306 Ca -0.07 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1al3 n LEU 306 Cb 0.42 -1.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 1al3 n LEU 306 CO 0.40 -3.80 -0.43 -1.14 -1.33 0.00 0.00 177.39 171.08 1al3 n ARG 307 N -1.28 0.18 -2.50 3.23 0.63 -1.26 -4.97 116.66 110.68 1al3 n ARG 307 Ca 0.05 0.07 -0.43 0.00 -0.92 0.00 0.00 57.85 56.62 1al3 n ARG 307 Cb 0.55 -0.80 -0.02 0.00 0.45 0.00 0.00 32.46 32.64 1al3 n ARG 307 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1al3 s SER 308 N -5.91 6.76 0.00 6.15 1.04 -1.26 -4.81 113.70 115.67 1al3 s SER 308 Ca -0.10 1.12 0.11 0.00 0.48 0.00 0.00 55.95 57.56 1al3 s SER 308 Cb 0.03 -2.54 0.51 0.00 0.10 0.00 0.00 66.02 64.11 1al3 s SER 308 CO 0.14 -1.02 1.28 -3.20 0.98 0.00 0.00 173.24 171.42 1al3 n ASN 309 N 7.38 0.00 0.25 7.02 2.85 -1.26 0.37 115.26 131.87 1al3 n ASN 309 Ca 0.14 0.28 0.11 0.00 -0.11 0.00 0.00 54.58 55.00 1al3 n ASN 309 Cb 0.47 -0.37 0.63 0.00 1.24 0.00 0.00 39.78 41.75 1al3 n ASN 309 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1al3 h GLU 310 N 0.00 0.00 0.00 1.20 4.39 -2.01 -2.69 114.58 115.47 1al3 h GLU 310 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1al3 h GLU 310 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1al3 h GLU 310 CO 0.00 0.17 -1.34 -0.25 -1.16 0.00 0.00 179.01 176.42 1al3 n ASP 311 N -3.59 0.62 0.01 1.42 8.00 1.18 -3.15 116.55 121.03 1al3 n ASP 311 Ca -0.01 0.25 -0.19 0.00 0.71 0.00 0.00 54.79 55.55 1al3 n ASP 311 Cb 0.30 0.81 -0.09 0.00 -0.02 0.00 0.00 41.12 42.12 1al3 n ASP 311 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1al3 h ILE 312 N 0.00 1.28 -0.36 0.53 2.04 -1.24 -3.14 117.51 116.62 1al3 h ILE 312 Ca -0.04 -2.09 -0.03 0.00 1.00 0.00 0.00 64.86 63.70 1al3 h ILE 312 Cb 1.11 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1al3 h ILE 312 CO 0.01 0.65 0.09 -0.33 0.00 0.00 0.00 178.15 178.57 1al3 h GLU 313 N 0.47 0.53 -0.62 2.37 5.08 -1.59 -1.73 114.58 119.08 1al3 h GLU 313 Ca -0.09 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1al3 h GLU 313 Cb 1.53 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.63 1al3 h GLU 313 CO 0.18 0.49 0.32 0.00 -1.00 0.00 0.00 179.01 178.99 1al3 h ALA 314 N 1.58 0.83 0.00 3.43 0.00 -1.50 -0.21 119.26 123.39 1al3 h ALA 314 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1al3 h ALA 314 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1al3 h ALA 314 CO -0.00 -0.04 -0.07 1.98 0.00 0.00 0.00 179.25 181.12 1al3 h MET 315 N 0.59 0.00 0.00 0.00 1.85 -1.28 -2.75 114.93 113.34 1al3 h MET 315 Ca 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.38 1al3 h MET 315 Cb 0.23 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1al3 h MET 315 CO -0.21 0.07 -1.08 1.19 -0.40 0.00 0.00 176.91 176.49 1al3 n PHE 316 N -3.38 0.23 -0.13 1.39 3.72 -0.17 -4.22 117.46 114.91 1al3 n PHE 316 Ca -0.01 0.07 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 1al3 n PHE 316 Cb 0.22 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1al3 n PHE 316 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1al3 h LYS 317 N 0.00 -0.17 -0.61 -1.08 1.79 -1.03 -1.07 116.57 114.41 1al3 h LYS 317 Ca 0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1al3 h LYS 317 Cb 0.73 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1al3 h LYS 317 CO 0.00 -0.11 0.25 0.38 -1.08 0.00 0.00 179.45 178.89 1al3 h ASP 318 N -0.17 0.83 -3.32 0.86 2.03 -1.75 -3.44 116.42 111.46 1al3 h ASP 318 Ca 0.20 -0.17 -0.55 0.00 -0.73 0.00 0.00 57.03 55.78 1al3 h ASP 318 Cb 0.49 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 38.74 1al3 h ASP 318 CO -0.53 0.77 0.49 -0.51 -1.03 0.00 0.00 179.24 178.43 1al3 s ILE 319 N -5.57 4.81 -0.33 4.15 -1.16 -0.41 -4.99 121.20 117.70 1al3 s ILE 319 Ca -0.13 2.04 -0.29 0.00 -0.51 0.00 0.00 60.65 61.76 1al3 s ILE 319 Cb 0.13 -4.31 0.01 0.00 0.61 0.00 0.00 42.46 38.90 1al3 s ILE 319 CO 0.80 0.07 1.27 -0.75 -2.81 0.00 0.00 174.94 173.52 1al3 s LYS 320 N 1.61 3.88 0.29 3.50 2.20 -1.26 -4.95 119.74 125.02 1al3 s LYS 320 Ca 0.50 1.14 -0.23 0.00 -0.36 0.00 0.00 55.97 57.02 1al3 s LYS 320 Cb -0.19 -3.88 -0.09 0.00 -1.51 0.00 0.00 37.83 32.15 1al3 s LYS 320 CO 0.22 -1.16 0.85 -0.51 -0.36 0.00 0.00 175.35 174.39 1al3 s LEU 321 N 4.41 4.30 0.82 5.43 1.43 -1.26 -5.05 118.68 128.76 1al3 s LEU 321 Ca 0.55 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.16 1al3 s LEU 321 Cb -0.15 -3.88 0.09 0.00 0.03 0.00 0.00 46.19 42.28 1al3 s LEU 321 CO 0.24 -0.05 1.18 -2.84 0.23 0.00 0.00 176.35 175.10 1al3 s PRO 322 N -2.13 1.60 -0.03 1.29 0.02 -1.26 -4.74 135.00 129.74 1al3 s PRO 322 Ca 0.48 1.64 0.07 0.00 0.02 0.00 0.00 61.00 63.21 1al3 s PRO 322 Cb -0.17 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1al3 s PRO 322 CO 0.22 -2.22 -0.24 -1.21 -0.33 0.00 0.00 177.00 173.22 1al3 s GLU 323 N -4.32 2.05 0.00 5.54 2.02 -1.26 -1.28 118.70 121.46 1al3 s GLU 323 Ca 0.70 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1al3 s GLU 323 Cb -0.26 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1al3 s GLU 323 CO 0.52 0.46 0.28 1.63 0.02 0.00 0.00 175.26 178.17