#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i n GLN 95 N 0.00 0.00 -1.94 -0.78 1.13 -1.26 -5.13 117.38 109.40 2k2i n GLN 95 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 2k2i n GLN 95 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 2k2i n GLN 95 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2k2i s LYS 96 N 3.25 3.57 0.05 -1.09 -2.85 -1.26 -5.09 119.74 116.33 2k2i s LYS 96 Ca 0.00 0.84 0.01 0.00 -1.00 0.00 0.00 55.97 55.81 2k2i s LYS 96 Cb 0.00 -2.08 -0.04 0.00 -2.06 0.00 0.00 37.83 33.65 2k2i s LYS 96 CO 0.00 -0.59 0.15 -1.64 0.10 0.00 0.00 175.35 173.37 2k2i s MET 97 N -4.90 3.20 -0.21 1.78 -1.94 -1.26 -5.12 119.30 110.85 2k2i s MET 97 Ca 0.57 -0.52 -0.27 0.00 -1.71 0.00 0.00 55.69 53.75 2k2i s MET 97 Cb -0.11 -2.91 0.09 0.00 2.01 0.00 0.00 34.83 33.91 2k2i s MET 97 CO 0.49 0.60 0.85 -1.12 -0.01 0.00 0.00 175.02 175.83 2k2i s SER 98 N -2.33 -0.58 0.00 3.03 0.01 -1.26 -5.13 113.70 107.44 2k2i s SER 98 Ca 0.31 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.53 2k2i s SER 98 Cb -0.13 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.02 2k2i s SER 98 CO 0.24 -0.31 0.00 1.21 0.41 0.00 0.00 173.24 174.78 2k2i n GLU 99 N 1.86 0.00 0.10 12.44 0.00 -1.26 -4.99 120.64 128.79 2k2i n GLU 99 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.14 2k2i n GLU 99 Cb 0.56 0.00 0.45 0.00 0.00 0.00 0.00 31.44 32.46 2k2i n GLU 99 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2k2i n LYS 100 N 0.00 0.19 0.04 5.31 2.85 -1.26 -3.19 118.16 122.10 2k2i n LYS 100 Ca 0.00 0.30 0.05 0.00 -1.05 0.00 0.00 58.31 57.61 2k2i n LYS 100 Cb 0.00 -1.79 0.46 0.00 -0.65 0.00 0.00 35.03 33.06 2k2i n LYS 100 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2k2i h ASP 101 N 0.00 0.39 0.60 -5.58 2.03 -1.98 -2.83 116.42 109.05 2k2i h ASP 101 Ca 0.00 -0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 2k2i h ASP 101 Cb 0.50 -0.10 0.01 0.00 -0.83 0.00 0.00 39.33 38.91 2k2i h ASP 101 CO 0.00 0.28 -0.29 0.71 -1.03 0.00 0.00 179.24 178.91 2k2i h THR 102 N 0.46 0.00 -0.14 1.15 1.35 -1.95 0.27 112.91 114.06 2k2i h THR 102 Ca 0.13 -0.08 -0.05 0.00 -0.55 0.00 0.00 66.41 65.85 2k2i h THR 102 Cb -0.04 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.37 2k2i h THR 102 CO -0.03 0.00 -0.16 0.50 -0.25 0.00 0.00 175.52 175.58 2k2i h LYS 103 N -0.89 0.22 0.13 4.72 3.64 -1.81 -0.69 116.57 121.89 2k2i h LYS 103 Ca -0.08 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2k2i h LYS 103 Cb 0.62 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2k2i h LYS 103 CO 0.14 0.39 -0.10 1.05 -2.27 0.00 0.00 179.45 178.66 2k2i h GLU 104 N 0.21 -0.23 -0.35 1.90 -0.00 -1.37 0.31 114.58 115.05 2k2i h GLU 104 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.41 2k2i h GLU 104 Cb 0.42 0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.20 2k2i h GLU 104 CO 0.03 -0.15 0.21 1.49 -0.00 0.00 0.00 179.01 180.58 2k2i h GLU 105 N -0.24 0.48 -0.36 1.06 4.57 -0.28 -0.78 114.58 119.04 2k2i h GLU 105 Ca -0.01 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.01 2k2i h GLU 105 Cb 0.21 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2k2i h GLU 105 CO -0.00 0.37 -0.25 0.82 -1.18 0.00 0.00 179.01 178.77 2k2i h ILE 106 N 0.46 1.29 -0.46 2.32 1.08 -1.01 0.19 117.51 121.37 2k2i h ILE 106 Ca 0.13 -1.40 -0.10 0.00 -0.39 0.00 0.00 64.86 63.09 2k2i h ILE 106 Cb 0.02 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2k2i h ILE 106 CO -0.02 0.46 -0.11 0.25 -0.69 0.00 0.00 178.15 178.04 2k2i h LEU 107 N 0.59 0.89 -0.17 1.44 6.46 -0.32 0.26 115.31 124.46 2k2i h LEU 107 Ca 0.07 -0.36 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2k2i h LEU 107 Cb 0.82 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 2k2i h LEU 107 CO 0.07 1.05 0.07 0.50 -0.62 0.00 0.00 178.44 179.50 2k2i h LYS 108 N 0.73 0.15 -0.57 1.25 3.64 -1.10 -1.12 116.57 119.55 2k2i h LYS 108 Ca 0.12 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2k2i h LYS 108 Cb 0.65 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2k2i h LYS 108 CO 0.04 0.10 0.33 0.00 -2.27 0.00 0.00 179.45 177.65 2k2i h ALA 109 N 1.10 0.74 -0.47 5.00 0.00 -0.49 -0.18 119.26 124.97 2k2i h ALA 109 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2k2i h ALA 109 Cb 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2k2i h ALA 109 CO -0.07 0.02 0.09 0.35 0.00 0.00 0.00 179.25 179.65 2k2i h PHE 110 N 0.63 0.14 0.00 0.00 3.57 -0.20 -0.84 116.94 120.24 2k2i h PHE 110 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2k2i h PHE 110 Cb 0.09 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2k2i h PHE 110 CO -0.07 -0.01 0.00 0.87 -2.23 0.00 0.00 178.31 176.87 2k2i h LYS 111 N 0.22 0.00 -0.29 1.11 1.57 -0.96 0.13 116.57 118.35 2k2i h LYS 111 Ca 0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2k2i h LYS 111 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2k2i h LYS 111 CO -0.31 0.00 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.33 2k2i h LEU 112 N 0.00 0.51 0.30 2.94 3.38 -0.36 -3.15 115.31 118.93 2k2i h LEU 112 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2k2i h LEU 112 Cb 0.85 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k2i h LEU 112 CO 0.00 0.70 -0.14 -0.26 0.09 0.00 0.00 178.44 178.82 2k2i h PHE 113 N 0.47 -0.37 -0.02 1.13 0.04 -0.77 -3.41 116.94 114.02 2k2i h PHE 113 Ca 0.08 -0.01 -0.63 0.00 2.80 0.00 0.00 57.97 60.22 2k2i h PHE 113 Cb 0.56 0.12 0.06 0.00 2.20 0.00 0.00 35.95 38.89 2k2i h PHE 113 CO 0.02 -0.02 2.11 -3.47 -0.60 0.00 0.00 178.31 176.34 2k2i n ASP 114 N -5.10 2.32 -0.20 2.17 2.03 0.41 -4.74 116.55 113.44 2k2i n ASP 114 Ca -0.09 -2.65 -0.01 0.00 0.52 0.00 0.00 54.79 52.55 2k2i n ASP 114 Cb 0.26 -1.06 0.09 0.00 -0.72 0.00 0.00 41.12 39.70 2k2i n ASP 114 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k2i h ASP 115 N 8.29 0.31 0.61 1.67 3.32 -1.79 -3.16 116.42 125.65 2k2i h ASP 115 Ca 0.39 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2k2i h ASP 115 Cb 0.69 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2k2i h ASP 115 CO 1.94 0.20 -0.14 0.47 -1.72 0.00 0.00 179.24 179.99 2k2i n ASP 116 N -4.94 0.28 -2.89 6.45 9.92 -1.26 -4.94 116.55 119.18 2k2i n ASP 116 Ca 0.07 -0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 54.08 2k2i n ASP 116 Cb 0.22 -0.17 0.05 0.00 -0.64 0.00 0.00 41.12 40.59 2k2i n ASP 116 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k2i n GLU 117 N -1.26 -1.78 -0.01 -1.24 -0.58 -1.20 -4.99 120.64 109.58 2k2i n GLU 117 Ca 0.10 0.70 0.02 0.00 -0.42 0.00 0.00 57.16 57.57 2k2i n GLU 117 Cb 0.30 -4.95 -0.07 0.00 -0.57 0.00 0.00 31.44 26.16 2k2i n GLU 117 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2k2i n THR 118 N -2.85 0.13 -1.82 2.62 5.66 -1.26 -5.02 114.28 111.74 2k2i n THR 118 Ca -0.05 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2k2i n THR 118 Cb 0.59 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 2k2i n THR 118 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k2i n GLY 119 N 2.11 0.43 3.18 1.09 0.00 -1.26 -5.05 105.19 105.68 2k2i n GLY 119 Ca -0.04 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2k2i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2i s LYS 120 N -3.68 0.52 -0.52 1.61 1.02 -1.26 -4.49 119.74 112.93 2k2i s LYS 120 Ca 0.00 -0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.71 2k2i s LYS 120 Cb 0.00 0.23 0.08 0.00 -0.52 0.00 0.00 37.83 37.62 2k2i s LYS 120 CO 0.00 -0.12 0.57 0.42 -0.92 0.00 0.00 175.35 175.30 2k2i s ILE 121 N -0.94 5.00 0.78 2.17 1.01 0.97 -4.58 121.20 125.61 2k2i s ILE 121 Ca -0.10 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 2k2i s ILE 121 Cb -0.05 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.17 2k2i s ILE 121 CO 0.02 -0.84 1.13 -0.94 0.00 0.00 0.00 174.94 174.32 2k2i s SER 122 N 3.03 4.72 0.25 3.58 1.04 -1.26 -0.39 113.70 124.68 2k2i s SER 122 Ca 0.10 1.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.49 2k2i s SER 122 Cb -0.23 -1.65 0.36 0.00 0.10 0.00 0.00 66.02 64.60 2k2i s SER 122 CO 0.08 -1.79 1.87 0.15 0.98 0.00 0.00 173.24 174.53 2k2i h PHE 123 N -0.97 1.10 -0.27 5.02 3.57 -1.96 0.78 116.94 124.22 2k2i h PHE 123 Ca -0.46 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.08 2k2i h PHE 123 Cb 1.29 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2k2i h PHE 123 CO 0.40 0.57 0.14 -0.22 -2.23 0.00 0.00 178.31 176.97 2k2i h LYS 124 N 1.08 0.29 -0.34 1.11 3.64 -1.98 -0.60 116.57 119.78 2k2i h LYS 124 Ca 0.40 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2k2i h LYS 124 Cb 0.16 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2k2i h LYS 124 CO -0.17 0.19 0.21 -0.91 -2.27 0.00 0.00 179.45 176.50 2k2i h ASN 125 N 0.30 0.35 -0.44 4.20 4.21 -1.67 -0.87 115.58 121.67 2k2i h ASN 125 Ca 0.11 -0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.70 2k2i h ASN 125 Cb 0.02 -0.08 -0.09 0.00 -1.12 0.00 0.00 38.32 37.05 2k2i h ASN 125 CO -0.06 0.25 -0.14 0.25 -1.29 0.00 0.00 177.43 176.44 2k2i h LEU 126 N 0.43 -0.49 -0.48 1.61 7.12 -0.69 -1.09 115.31 121.71 2k2i h LEU 126 Ca 0.13 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.28 2k2i h LEU 126 Cb -0.02 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2k2i h LEU 126 CO -0.05 -0.17 0.00 0.07 -0.13 0.00 0.00 178.44 178.16 2k2i h LYS 127 N -0.04 0.00 0.18 1.25 2.10 -0.89 -0.14 116.57 119.03 2k2i h LYS 127 Ca 0.21 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.85 2k2i h LYS 127 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2k2i h LYS 127 CO -0.47 0.00 -0.09 0.00 -2.00 0.00 0.00 179.45 176.89 2k2i h ARG 128 N 0.00 -0.23 -0.58 0.07 -0.00 -0.34 -2.57 114.38 110.73 2k2i h ARG 128 Ca 0.00 0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.55 2k2i h ARG 128 Cb 0.66 0.05 -0.05 0.00 0.00 0.00 0.00 29.97 30.63 2k2i h ARG 128 CO 0.00 0.04 0.30 0.28 0.00 0.00 0.00 179.97 180.60 2k2i h VAL 129 N -0.51 0.96 -0.57 2.04 2.07 -0.97 -0.56 116.25 118.72 2k2i h VAL 129 Ca -0.02 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.40 2k2i h VAL 129 Cb 0.39 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 2k2i h VAL 129 CO 0.04 0.11 0.08 0.00 0.02 0.00 0.00 177.57 177.82 2k2i h ALA 130 N 1.30 0.63 0.00 1.67 0.00 -1.08 -1.28 119.26 120.50 2k2i h ALA 130 Ca 0.25 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2k2i h ALA 130 Cb 0.15 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k2i h ALA 130 CO -0.17 -0.34 -0.30 1.57 0.00 0.00 0.00 179.25 180.02 2k2i h LYS 131 N 0.21 0.00 -0.29 0.00 5.09 -0.97 0.27 116.57 120.88 2k2i h LYS 131 Ca 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.96 2k2i h LYS 131 Cb 0.44 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.76 2k2i h LYS 131 CO -0.41 0.30 -0.12 0.93 -2.09 0.00 0.00 179.45 178.06 2k2i h GLU 132 N 0.00 0.60 -0.13 0.07 4.39 -0.48 -3.19 114.58 115.84 2k2i h GLU 132 Ca -0.00 -0.25 -0.23 0.00 0.34 0.00 0.00 59.36 59.22 2k2i h GLU 132 Cb 0.97 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2k2i h GLU 132 CO 0.04 0.82 -0.82 -0.07 -1.16 0.00 0.00 179.01 177.82 2k2i h LEU 133 N 0.35 0.93 0.00 1.33 -0.00 -1.24 -3.48 115.31 113.20 2k2i h LEU 133 Ca 0.07 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 2k2i h LEU 133 Cb 0.63 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2k2i h LEU 133 CO 0.04 1.43 0.00 0.61 -0.00 0.00 0.00 178.44 180.52 2k2i n GLY 134 N 0.76 0.93 3.65 0.83 0.00 0.63 -5.08 105.19 106.91 2k2i n GLY 134 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2k2i n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 135 N 0.15 4.22 -1.32 1.61 0.41 0.59 -4.95 118.70 119.42 2k2i s GLU 135 Ca 0.00 1.13 -0.07 0.00 -0.41 0.00 0.00 54.97 55.62 2k2i s GLU 135 Cb 0.00 -3.64 0.01 0.00 -1.78 0.00 0.00 34.13 28.72 2k2i s GLU 135 CO 0.00 -0.56 2.70 -1.71 -0.49 0.00 0.00 175.26 175.20 2k2i n ASN 136 N 6.13 8.09 -4.81 -0.19 5.15 -1.26 -4.80 115.26 123.56 2k2i n ASN 136 Ca 0.08 -2.89 -0.22 0.00 -0.60 0.00 0.00 54.58 50.96 2k2i n ASN 136 Cb 0.47 -1.43 -0.04 0.00 -0.53 0.00 0.00 39.78 38.24 2k2i n ASN 136 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2k2i s LEU 137 N -1.13 3.52 0.51 1.20 2.34 -1.26 -5.13 118.68 118.72 2k2i s LEU 137 Ca 0.61 -0.55 -0.02 0.00 0.06 0.00 0.00 54.13 54.23 2k2i s LEU 137 Cb 0.20 -2.09 0.00 0.00 -0.56 0.00 0.00 46.19 43.74 2k2i s LEU 137 CO -0.08 -0.30 0.77 0.42 -1.06 0.00 0.00 176.35 176.09 2k2i s THR 138 N -2.32 3.88 0.15 5.48 -4.23 -1.26 -5.01 115.64 112.33 2k2i s THR 138 Ca 0.39 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 2k2i s THR 138 Cb -0.05 -3.48 -0.07 0.00 1.34 0.00 0.00 72.50 70.24 2k2i s THR 138 CO 0.25 -0.40 1.48 -0.90 -0.54 0.00 0.00 174.62 174.50 2k2i n ASP 139 N -2.29 -1.02 -0.30 3.99 5.68 -1.26 -2.07 116.55 119.29 2k2i n ASP 139 Ca 0.03 1.71 0.21 0.00 -0.50 0.00 0.00 54.79 56.23 2k2i n ASP 139 Cb 0.58 -0.22 0.50 0.00 -1.14 0.00 0.00 41.12 40.83 2k2i n ASP 139 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2k2i h GLU 140 N 0.00 0.41 -0.65 0.11 4.57 -1.97 -1.02 114.58 116.02 2k2i h GLU 140 Ca 0.15 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2k2i h GLU 140 Cb 0.39 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2k2i h GLU 140 CO -0.90 0.27 0.09 0.93 -1.18 0.00 0.00 179.01 178.23 2k2i h GLU 141 N 0.43 1.09 -0.44 1.92 4.39 -1.81 0.36 114.58 120.51 2k2i h GLU 141 Ca 0.55 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 2k2i h GLU 141 Cb 1.34 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2k2i h GLU 141 CO -0.25 1.01 0.03 -0.07 -1.16 0.00 0.00 179.01 178.57 2k2i h LEU 142 N 1.01 0.74 -0.13 1.33 -0.00 -1.33 -3.12 115.31 113.81 2k2i h LEU 142 Ca 0.20 -0.29 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2k2i h LEU 142 Cb 0.45 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2k2i h LEU 142 CO 0.01 0.84 0.07 -0.61 -0.00 0.00 0.00 178.44 178.75 2k2i h GLN 143 N 0.61 0.19 -0.37 1.13 -0.00 -0.78 -2.94 115.11 112.95 2k2i h GLN 143 Ca 0.13 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.83 2k2i h GLN 143 Cb 0.44 -0.03 -0.09 0.00 0.00 0.00 0.00 27.48 27.80 2k2i h GLN 143 CO 0.02 0.23 -0.26 1.49 0.00 0.00 0.00 178.83 180.30 2k2i h GLU 144 N 0.10 -0.20 -0.84 1.69 4.57 -0.37 -1.01 114.58 118.51 2k2i h GLU 144 Ca 0.05 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2k2i h GLU 144 Cb 0.10 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2k2i h GLU 144 CO -0.01 -0.14 0.55 0.52 -1.18 0.00 0.00 179.01 178.76 2k2i h MET 145 N -0.21 0.91 0.09 1.92 2.86 -1.47 0.16 114.93 119.19 2k2i h MET 145 Ca 0.18 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k2i h MET 145 Cb 0.49 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2k2i h MET 145 CO -0.49 0.60 -0.05 0.82 1.06 0.00 0.00 176.91 178.86 2k2i h ILE 146 N 0.94 1.10 -0.33 -1.22 1.08 -1.18 -2.64 117.51 115.26 2k2i h ILE 146 Ca 0.36 -0.75 -0.12 0.00 -0.39 0.00 0.00 64.86 63.97 2k2i h ILE 146 Cb 0.22 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2k2i h ILE 146 CO -0.13 0.18 -0.29 -0.78 -0.69 0.00 0.00 178.15 176.44 2k2i h ASP 147 N -0.47 0.71 0.24 1.72 3.58 -0.86 -2.83 116.42 118.51 2k2i h ASP 147 Ca -0.01 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.17 2k2i h ASP 147 Cb 0.39 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2k2i h ASP 147 CO 0.02 0.96 -0.30 -0.08 -2.88 0.00 0.00 179.24 176.96 2k2i h GLU 148 N 0.59 -0.58 0.03 0.28 4.22 -0.79 -3.38 114.58 114.95 2k2i h GLU 148 Ca 0.07 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 2k2i h GLU 148 Cb 0.79 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2k2i h GLU 148 CO 0.07 -0.38 -0.01 0.00 -2.18 0.00 0.00 179.01 176.50 2k2i h ALA 149 N 0.00 -0.03 -0.00 2.92 0.00 -1.29 -3.41 119.26 117.44 2k2i h ALA 149 Ca 0.00 -0.36 -0.64 0.00 0.00 0.00 0.00 54.91 53.91 2k2i h ALA 149 Cb 0.57 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k2i h ALA 149 CO -0.10 -0.11 3.62 -3.47 0.00 0.00 0.00 179.25 179.18 2k2i n ASP 150 N -4.73 8.58 -0.01 0.00 2.03 -1.08 -4.72 116.55 116.61 2k2i n ASP 150 Ca -0.09 -2.57 -0.12 0.00 0.52 0.00 0.00 54.79 52.53 2k2i n ASP 150 Cb 0.36 -1.55 -0.08 0.00 -0.72 0.00 0.00 41.12 39.12 2k2i n ASP 150 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2k2i h ARG 151 N 4.88 0.09 -0.22 -0.67 1.12 -1.88 -3.14 114.38 114.57 2k2i h ARG 151 Ca 0.84 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.60 2k2i h ARG 151 Cb 0.35 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 2k2i h ARG 151 CO 1.70 0.39 -0.12 -0.25 -3.11 0.00 0.00 179.97 178.58 2k2i n ASP 152 N -4.87 2.65 0.00 -3.80 8.00 -1.26 -4.96 116.55 112.30 2k2i n ASP 152 Ca -0.07 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 51.91 2k2i n ASP 152 Cb 0.19 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2k2i n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k2i n GLY 153 N -1.04 0.35 0.29 0.44 0.00 -1.19 -5.08 105.19 98.97 2k2i n GLY 153 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2k2i n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2i n ASP 154 N 0.00 0.05 0.00 1.61 2.03 -1.26 -5.05 116.55 113.93 2k2i n ASP 154 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k2i n ASP 154 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k2i n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2i n GLY 155 N 1.53 1.75 3.15 0.27 0.00 -1.26 -5.10 105.19 105.52 2k2i n GLY 155 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2k2i n GLY 155 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2i s GLU 156 N 0.00 0.77 -0.37 1.61 -1.05 -1.26 -4.90 118.70 113.50 2k2i s GLU 156 Ca 0.00 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.46 2k2i s GLU 156 Cb 0.00 -0.47 0.02 0.00 -0.44 0.00 0.00 34.13 33.23 2k2i s GLU 156 CO 0.00 0.07 1.20 0.08 0.95 0.00 0.00 175.26 177.56 2k2i s VAL 157 N -2.23 4.24 0.64 1.83 1.01 0.48 -4.62 120.40 121.76 2k2i s VAL 157 Ca 0.02 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 2k2i s VAL 157 Cb -0.04 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2k2i s VAL 157 CO -0.00 -0.66 1.01 -0.94 0.00 0.00 0.00 175.10 174.51 2k2i s SER 158 N 2.48 5.72 0.43 3.32 1.04 -1.26 -0.02 113.70 125.41 2k2i s SER 158 Ca 0.51 1.09 0.19 0.00 0.48 0.00 0.00 55.95 58.23 2k2i s SER 158 Cb -0.12 -2.03 1.00 0.00 0.10 0.00 0.00 66.02 64.97 2k2i s SER 158 CO 0.24 -1.11 1.91 1.05 0.98 0.00 0.00 173.24 176.31 2k2i h GLU 159 N -0.40 0.00 -0.91 4.02 4.11 -1.95 -1.79 114.58 117.66 2k2i h GLU 159 Ca -0.45 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.02 2k2i h GLU 159 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2k2i h GLU 159 CO 0.63 0.26 0.59 -0.56 0.07 0.00 0.00 179.01 180.00 2k2i h GLN 160 N 0.00 1.11 0.19 1.06 3.07 -1.97 0.14 115.11 118.71 2k2i h GLN 160 Ca -0.00 -0.07 -0.26 0.00 0.09 0.00 0.00 58.65 58.41 2k2i h GLN 160 Cb 0.56 -0.25 0.03 0.00 0.08 0.00 0.00 27.48 27.90 2k2i h GLN 160 CO 0.03 0.74 -1.12 0.93 0.09 0.00 0.00 178.83 179.50 2k2i h GLU 161 N 1.14 0.42 -0.23 0.06 4.39 -1.68 0.91 114.58 119.60 2k2i h GLU 161 Ca 0.37 -0.71 0.01 0.00 0.34 0.00 0.00 59.36 59.37 2k2i h GLU 161 Cb 0.01 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2k2i h GLU 161 CO -0.12 1.34 0.12 0.35 -1.16 0.00 0.00 179.01 179.53 2k2i h PHE 162 N -0.12 0.22 0.00 4.33 3.57 -1.26 -0.83 116.94 122.85 2k2i h PHE 162 Ca -0.19 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.21 2k2i h PHE 162 Cb 1.88 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.54 2k2i h PHE 162 CO 0.16 0.13 -0.52 1.37 -2.23 0.00 0.00 178.31 177.22 2k2i h LEU 163 N 0.25 0.00 0.20 0.59 8.10 -0.75 -2.45 115.31 121.25 2k2i h LEU 163 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.08 2k2i h LEU 163 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.23 2k2i h LEU 163 CO -0.06 0.52 -0.15 -0.09 -4.11 0.00 0.00 178.44 174.55 2k2i h ARG 164 N 0.00 -0.35 -0.19 0.17 2.43 -0.49 0.51 114.38 116.46 2k2i h ARG 164 Ca -0.01 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2k2i h ARG 164 Cb 1.05 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2k2i h ARG 164 CO 0.07 -0.23 -0.18 -0.84 -1.51 0.00 0.00 179.97 177.28 2k2i h ILE 165 N -0.36 1.22 -0.15 1.20 -0.00 -1.14 -2.70 117.51 115.57 2k2i h ILE 165 Ca -0.01 -0.99 -0.13 0.00 -0.00 0.00 0.00 64.86 63.72 2k2i h ILE 165 Cb 0.32 1.28 0.00 0.00 -0.00 0.00 0.00 36.82 38.42 2k2i h ILE 165 CO -0.01 0.31 -0.43 0.24 -0.00 0.00 0.00 178.15 178.26 2k2i h MET 166 N 0.30 0.55 -0.32 0.16 2.86 -1.32 -3.27 114.93 113.89 2k2i h MET 166 Ca 0.05 -0.40 0.09 0.00 -2.06 0.00 0.00 59.70 57.39 2k2i h MET 166 Cb 0.49 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2k2i h MET 166 CO 0.03 1.02 0.29 -0.22 1.06 0.00 0.00 176.91 179.09 2k2i h LYS 167 N 0.19 0.00 -0.30 1.72 3.64 0.33 0.17 116.57 122.32 2k2i h LYS 167 Ca -0.01 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 2k2i h LYS 167 Cb 1.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2k2i h LYS 167 CO 0.09 0.00 0.36 -0.22 -2.27 0.00 0.00 179.45 177.41 2k2i h LYS 168 N 0.00 0.00 -1.27 1.90 1.63 -1.55 -2.83 116.57 114.45 2k2i h LYS 168 Ca 0.15 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.54 2k2i h LYS 168 Cb 0.74 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 32.06 2k2i h LYS 168 CO -0.00 0.00 -0.91 2.41 -3.45 0.00 0.00 179.45 177.50 2k2i n THR 169 N -3.66 -0.27 0.03 1.00 -1.04 0.52 -4.67 114.28 106.19 2k2i n THR 169 Ca 0.05 -3.29 -0.20 0.00 -2.04 0.00 0.00 64.05 58.56 2k2i n THR 169 Cb 0.50 -0.12 -0.14 0.00 -1.82 0.00 0.00 70.33 68.75 2k2i n THR 169 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2k2i h SER 170 N 3.47 0.40 -1.78 8.00 4.64 -1.07 -3.44 113.55 123.77 2k2i h SER 170 Ca 0.01 -0.93 -0.16 0.00 -0.47 0.00 0.00 61.79 60.24 2k2i h SER 170 Cb 0.98 -0.13 -0.29 0.00 -0.31 0.00 0.00 62.40 62.65 2k2i h SER 170 CO 0.39 1.41 -0.50 -0.22 -0.87 0.00 0.00 176.83 177.04 2k2i s LEU 171 N -7.84 -0.72 0.00 5.97 0.20 -1.26 -5.00 118.68 110.03 2k2i s LEU 171 Ca -0.16 -0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.65 2k2i s LEU 171 Cb 0.01 1.14 0.00 0.00 -0.43 0.00 0.00 46.19 46.92 2k2i s LEU 171 CO 0.80 -0.32 0.00 0.00 -0.29 0.00 0.00 176.35 176.54