#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 3.24 0.00 -2.82 -0.06 -1.26 -4.35 117.38 112.14 2k2i n GLN 95 Ca 0.00 -3.43 0.00 0.00 -2.00 0.00 0.00 57.00 51.57 2k2i n GLN 95 Cb 0.00 -3.34 0.00 0.00 -4.06 0.00 0.00 30.24 22.84 2k2i n GLN 95 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2k2i n LYS 96 N 7.39 0.00 0.00 3.69 3.00 -1.26 -5.13 118.16 125.85 2k2i n LYS 96 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 2k2i n LYS 96 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.48 2k2i n LYS 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2k2i n MET 97 N -0.56 0.00 -0.99 1.64 2.81 -1.26 -4.88 117.12 113.88 2k2i n MET 97 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2k2i n MET 97 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2k2i n MET 97 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2k2i n SER 98 N 6.88 -3.94 -4.75 7.83 3.41 -1.26 -4.99 113.62 116.80 2k2i n SER 98 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2k2i n SER 98 Cb 0.00 -1.66 -0.05 0.00 -0.26 0.00 0.00 64.21 62.25 2k2i n SER 98 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2k2i s GLU 99 N -0.78 4.68 0.00 4.33 -1.05 -1.26 -4.98 118.70 119.65 2k2i s GLU 99 Ca 0.00 1.72 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 2k2i s GLU 99 Cb 0.00 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 2k2i s GLU 99 CO 0.00 0.26 0.00 0.36 0.95 0.00 0.00 175.26 176.83 2k2i n LYS 100 N 1.41 0.00 0.00 -4.83 -0.00 -1.26 -5.06 118.16 108.42 2k2i n LYS 100 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2k2i n LYS 100 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k2i n ASP 101 N 0.00 0.00 0.14 -5.58 8.00 -1.26 -0.94 116.55 116.91 2k2i n ASP 101 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2k2i n ASP 101 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.61 2k2i n ASP 101 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2k2i n THR 102 N 0.00 0.93 -0.02 -3.53 5.66 -1.26 -0.76 114.28 115.29 2k2i n THR 102 Ca 0.00 0.42 -0.03 0.00 -3.05 0.00 0.00 64.05 61.38 2k2i n THR 102 Cb 0.00 -1.37 0.20 0.00 -1.55 0.00 0.00 70.33 67.61 2k2i n THR 102 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2k2i h LYS 103 N 0.00 0.59 -0.16 1.09 3.64 -1.45 0.14 116.57 120.42 2k2i h LYS 103 Ca 0.00 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.05 2k2i h LYS 103 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2k2i h LYS 103 CO 0.00 0.71 -0.51 1.05 -2.27 0.00 0.00 179.45 178.43 2k2i h GLU 104 N 0.53 0.44 -0.50 1.90 -0.00 -1.13 -1.40 114.58 114.43 2k2i h GLU 104 Ca 0.09 -0.26 0.02 0.00 -0.00 0.00 0.00 59.36 59.21 2k2i h GLU 104 Cb 0.56 0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 29.30 2k2i h GLU 104 CO 0.04 0.84 0.31 0.93 -0.00 0.00 0.00 179.01 181.13 2k2i h GLU 105 N 0.34 0.60 -0.40 1.06 5.08 -1.16 0.32 114.58 120.41 2k2i h GLU 105 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k2i h GLU 105 Cb 1.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2k2i h GLU 105 CO 0.09 0.39 0.24 0.82 -1.00 0.00 0.00 179.01 179.56 2k2i h ILE 106 N 0.61 1.13 -0.49 3.13 2.04 -0.53 0.64 117.51 124.05 2k2i h ILE 106 Ca 0.20 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2k2i h ILE 106 Cb -0.01 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2k2i h ILE 106 CO -0.08 0.13 0.29 0.25 0.00 0.00 0.00 178.15 178.74 2k2i h LEU 107 N 0.53 0.48 -0.26 1.44 6.46 -1.00 -0.42 115.31 122.53 2k2i h LEU 107 Ca 0.14 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2k2i h LEU 107 Cb -0.01 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2k2i h LEU 107 CO -0.03 0.34 0.14 0.50 -0.62 0.00 0.00 178.44 178.78 2k2i h LYS 108 N 0.59 0.37 -0.80 1.25 3.64 -0.13 -2.82 116.57 118.67 2k2i h LYS 108 Ca 0.19 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2k2i h LYS 108 Cb 0.01 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 2k2i h LYS 108 CO -0.08 0.33 0.45 0.00 -2.27 0.00 0.00 179.45 177.87 2k2i h ALA 109 N 1.02 1.14 -0.52 5.00 0.00 0.56 0.34 119.26 126.80 2k2i h ALA 109 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2k2i h ALA 109 Cb 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2k2i h ALA 109 CO -0.01 0.08 0.18 0.35 0.00 0.00 0.00 179.25 179.84 2k2i h PHE 110 N 0.76 0.31 -0.11 0.00 3.57 -0.97 0.26 116.94 120.76 2k2i h PHE 110 Ca 0.39 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.77 2k2i h PHE 110 Cb 0.36 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k2i h PHE 110 CO -0.07 0.09 -0.56 0.87 -2.23 0.00 0.00 178.31 176.41 2k2i h LYS 111 N 0.35 0.34 -0.36 1.11 1.57 -1.01 0.17 116.57 118.73 2k2i h LYS 111 Ca 0.25 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2k2i h LYS 111 Cb 0.28 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2k2i h LYS 111 CO -0.26 0.81 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.25 2k2i h LEU 112 N 0.26 0.60 0.68 2.94 3.38 0.12 -3.04 115.31 120.25 2k2i h LEU 112 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2k2i h LEU 112 Cb 1.06 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2k2i h LEU 112 CO 0.09 0.74 -0.33 -0.26 0.09 0.00 0.00 178.44 178.77 2k2i h PHE 113 N 0.57 -0.85 -0.57 1.13 0.04 -0.41 -3.40 116.94 113.45 2k2i h PHE 113 Ca 0.10 -0.02 -0.38 0.00 2.80 0.00 0.00 57.97 60.47 2k2i h PHE 113 Cb 0.51 0.28 -0.05 0.00 2.20 0.00 0.00 35.95 38.90 2k2i h PHE 113 CO 0.02 -0.50 1.20 0.34 -0.60 0.00 0.00 178.31 178.77 2k2i s ASP 114 N -4.49 5.33 0.32 2.17 -1.08 0.58 -4.64 116.67 114.87 2k2i s ASP 114 Ca -0.15 -1.65 0.11 0.00 -0.52 0.00 0.00 52.55 50.33 2k2i s ASP 114 Cb 0.02 -2.58 0.94 0.00 -1.46 0.00 0.00 42.92 39.83 2k2i s ASP 114 CO 0.48 -2.73 1.70 -0.78 0.52 0.00 0.00 175.17 174.36 2k2i h ASP 115 N 9.61 0.58 0.37 -0.34 3.58 -1.79 -2.63 116.42 125.80 2k2i h ASP 115 Ca 0.23 0.16 -0.32 0.00 0.42 0.00 0.00 57.03 57.52 2k2i h ASP 115 Cb 0.94 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2k2i h ASP 115 CO 1.26 0.01 -1.63 0.44 -2.88 0.00 0.00 179.24 176.44 2k2i h ASP 116 N 0.47 0.42 -2.88 2.28 3.32 -1.92 -3.49 116.42 114.63 2k2i h ASP 116 Ca 0.67 -0.63 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2k2i h ASP 116 Cb 1.36 -0.14 0.05 0.00 0.22 0.00 0.00 39.33 40.82 2k2i h ASP 116 CO -0.53 1.53 -0.22 -0.62 -1.72 0.00 0.00 179.24 177.69 2k2i n GLU 117 N -3.46 -2.04 0.07 3.56 1.02 -0.99 -4.98 120.64 113.81 2k2i n GLU 117 Ca -0.20 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 2k2i n GLU 117 Cb 1.05 -3.48 0.12 0.00 -0.02 0.00 0.00 31.44 29.11 2k2i n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k2i h THR 118 N -0.62 0.00 0.00 2.62 1.03 -1.94 -3.47 112.91 110.52 2k2i h THR 118 Ca -0.17 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.60 2k2i h THR 118 Cb 1.10 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 2k2i h THR 118 CO 0.15 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 2k2i n GLY 119 N 1.29 1.31 3.36 2.99 0.00 -1.26 -5.09 105.19 107.79 2k2i n GLY 119 Ca 0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 0.64 -1.00 1.61 1.02 -1.26 -4.51 119.74 115.50 2k2i s LYS 120 Ca 0.00 0.43 -0.21 0.00 0.02 0.00 0.00 55.97 56.21 2k2i s LYS 120 Cb 0.00 0.30 0.09 0.00 -0.52 0.00 0.00 37.83 37.70 2k2i s LYS 120 CO 0.00 -0.12 1.33 0.42 -0.92 0.00 0.00 175.35 176.06 2k2i s ILE 121 N -0.26 4.30 0.99 2.17 1.01 0.17 -4.65 121.20 124.93 2k2i s ILE 121 Ca -0.04 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 2k2i s ILE 121 Cb -0.03 -4.95 0.18 0.00 0.01 0.00 0.00 42.46 37.67 2k2i s ILE 121 CO 0.03 -1.76 1.08 -0.55 0.00 0.00 0.00 174.94 173.74 2k2i s SER 122 N 4.32 2.62 0.22 3.58 0.15 -1.26 0.01 113.70 123.34 2k2i s SER 122 Ca 0.41 1.34 -0.09 0.00 0.70 0.00 0.00 55.95 58.31 2k2i s SER 122 Cb -0.02 -2.02 0.18 0.00 -1.71 0.00 0.00 66.02 62.45 2k2i s SER 122 CO -0.09 -3.15 1.86 0.15 1.20 0.00 0.00 173.24 173.22 2k2i h PHE 123 N -1.90 1.07 -0.56 3.44 3.57 -1.95 0.12 116.94 120.72 2k2i h PHE 123 Ca -0.54 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.02 2k2i h PHE 123 Cb 1.32 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 2k2i h PHE 123 CO 0.33 0.71 0.27 -0.22 -2.23 0.00 0.00 178.31 177.17 2k2i h LYS 124 N 1.12 0.49 -0.00 1.11 3.64 -1.95 -1.05 116.57 119.92 2k2i h LYS 124 Ca 0.29 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.43 2k2i h LYS 124 Cb -0.05 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2k2i h LYS 124 CO -0.06 0.32 -0.90 -0.91 -2.27 0.00 0.00 179.45 175.64 2k2i h ASN 125 N 0.50 0.39 0.53 4.20 2.35 -1.52 0.35 115.58 122.38 2k2i h ASN 125 Ca 0.26 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2k2i h ASN 125 Cb 0.21 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2k2i h ASN 125 CO -0.20 1.11 -0.39 0.25 -1.65 0.00 0.00 177.43 176.54 2k2i h LEU 126 N 0.17 -1.03 -1.18 1.61 7.12 -0.79 -2.82 115.31 118.38 2k2i h LEU 126 Ca -0.06 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 2k2i h LEU 126 Cb 1.53 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 41.98 2k2i h LEU 126 CO 0.15 -0.58 -0.18 0.07 -0.13 0.00 0.00 178.44 177.76 2k2i h LYS 127 N -0.90 0.00 0.55 1.25 2.10 -0.85 -2.71 116.57 116.01 2k2i h LYS 127 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 2k2i h LYS 127 Cb 0.76 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2k2i h LYS 127 CO 0.02 0.18 -0.42 -0.09 -2.00 0.00 0.00 179.45 177.14 2k2i h ARG 128 N 0.00 -0.91 -0.97 0.07 9.65 -0.35 -2.91 114.38 118.97 2k2i h ARG 128 Ca -0.00 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.03 2k2i h ARG 128 Cb 0.70 0.21 -0.07 0.00 -1.39 0.00 0.00 29.97 29.41 2k2i h ARG 128 CO 0.02 -0.60 0.61 0.28 2.80 0.00 0.00 179.97 183.08 2k2i h VAL 129 N -0.94 0.99 -0.50 0.20 2.07 -1.22 0.15 116.25 117.01 2k2i h VAL 129 Ca -0.06 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.20 2k2i h VAL 129 Cb 0.79 -0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 2k2i h VAL 129 CO 0.01 0.19 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 2k2i h ALA 130 N 1.48 0.34 -0.16 1.67 0.00 -1.51 0.14 119.26 121.23 2k2i h ALA 130 Ca 0.45 0.19 -0.18 0.00 0.00 0.00 0.00 54.91 55.36 2k2i h ALA 130 Cb 0.32 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k2i h ALA 130 CO -0.22 -0.44 -0.64 0.87 0.00 0.00 0.00 179.25 178.82 2k2i h LYS 131 N 0.01 0.61 -0.74 0.00 1.79 -0.88 0.11 116.57 117.47 2k2i h LYS 131 Ca 0.24 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2k2i h LYS 131 Cb 0.37 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 2k2i h LYS 131 CO -0.50 1.05 0.47 0.93 -1.08 0.00 0.00 179.45 180.32 2k2i h GLU 132 N 0.44 0.99 -0.07 3.15 4.39 -0.34 -3.02 114.58 120.12 2k2i h GLU 132 Ca -0.01 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 2k2i h GLU 132 Cb 1.22 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2k2i h GLU 132 CO 0.12 0.68 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.15 2k2i h LEU 133 N 1.01 0.49 0.00 1.33 3.38 -0.75 -3.48 115.31 117.28 2k2i h LEU 133 Ca 0.27 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k2i h LEU 133 Cb -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k2i h LEU 133 CO -0.05 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.17 2k2i n GLY 134 N 0.77 0.94 3.55 0.83 0.00 0.22 -5.07 105.19 106.44 2k2i n GLY 134 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 2.76 -1.22 1.61 0.41 -0.29 -4.92 118.70 116.82 2k2i s GLU 135 Ca 0.00 0.19 -0.11 0.00 -0.41 0.00 0.00 54.97 54.64 2k2i s GLU 135 Cb 0.00 -4.54 0.19 0.00 -1.78 0.00 0.00 34.13 28.00 2k2i s GLU 135 CO 0.00 -2.73 1.59 0.09 -0.49 0.00 0.00 175.26 173.72 2k2i n ASN 136 N 12.18 5.30 -4.88 -0.19 3.02 -1.26 -4.34 115.26 125.09 2k2i n ASN 136 Ca 0.22 -3.07 -0.30 0.00 -0.03 0.00 0.00 54.58 51.39 2k2i n ASN 136 Cb 0.50 -1.49 0.01 0.00 -0.61 0.00 0.00 39.78 38.19 2k2i n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k2i s LEU 137 N 0.29 3.29 0.61 3.41 1.02 -1.26 -5.09 118.68 120.95 2k2i s LEU 137 Ca 0.40 1.30 -0.08 0.00 0.02 0.00 0.00 54.13 55.77 2k2i s LEU 137 Cb 0.02 -4.32 -0.01 0.00 0.02 0.00 0.00 46.19 41.90 2k2i s LEU 137 CO 0.01 -0.84 0.96 -0.89 0.02 0.00 0.00 176.35 175.61 2k2i s THR 138 N -3.10 4.02 0.27 5.49 2.01 -1.26 -4.89 115.64 118.18 2k2i s THR 138 Ca 0.54 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.90 2k2i s THR 138 Cb -0.11 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.84 2k2i s THR 138 CO 0.52 -0.71 1.69 0.44 -0.69 0.00 0.00 174.62 175.87 2k2i h ASP 139 N -0.27 0.45 -0.40 3.53 5.19 -1.98 -1.25 116.42 121.69 2k2i h ASP 139 Ca -0.45 -0.17 0.08 0.00 -0.62 0.00 0.00 57.03 55.87 2k2i h ASP 139 Cb 1.23 -0.12 -0.09 0.00 0.18 0.00 0.00 39.33 40.53 2k2i h ASP 139 CO 0.62 0.75 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.90 2k2i h GLU 140 N 0.38 -0.19 -0.46 3.56 3.07 -1.98 0.24 114.58 119.21 2k2i h GLU 140 Ca 0.05 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 2k2i h GLU 140 Cb 0.76 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 2k2i h GLU 140 CO 0.06 -0.12 -0.05 0.93 -1.40 0.00 0.00 179.01 178.43 2k2i h GLU 141 N -0.19 0.84 -0.91 2.33 5.08 -1.75 0.24 114.58 120.22 2k2i h GLU 141 Ca 0.19 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2k2i h GLU 141 Cb 0.49 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2k2i h GLU 141 CO -0.51 0.92 0.60 -0.07 -1.00 0.00 0.00 179.01 178.95 2k2i h LEU 142 N 0.68 1.03 -0.45 1.33 3.38 -1.11 -0.43 115.31 119.74 2k2i h LEU 142 Ca 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2k2i h LEU 142 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2k2i h LEU 142 CO 0.03 0.73 -0.02 -0.61 0.09 0.00 0.00 178.44 178.66 2k2i h GLN 143 N 1.21 0.81 -0.98 1.13 -0.00 -0.09 -2.53 115.11 114.66 2k2i h GLN 143 Ca 0.34 -0.27 0.06 0.00 -0.00 0.00 0.00 58.65 58.78 2k2i h GLN 143 Cb -0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 27.48 27.24 2k2i h GLN 143 CO -0.09 0.88 0.63 0.93 0.00 0.00 0.00 178.83 181.19 2k2i h GLU 144 N 0.65 1.12 -0.30 1.69 5.08 -0.13 0.31 114.58 123.00 2k2i h GLU 144 Ca 0.12 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2k2i h GLU 144 Cb 0.53 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2k2i h GLU 144 CO 0.03 0.74 0.06 0.52 -1.00 0.00 0.00 179.01 179.35 2k2i h MET 145 N 1.15 0.16 -0.47 2.33 2.86 -1.00 0.15 114.93 120.11 2k2i h MET 145 Ca 0.42 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.11 2k2i h MET 145 Cb 0.16 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2k2i h MET 145 CO -0.17 0.11 0.18 0.82 1.06 0.00 0.00 176.91 178.90 2k2i h ILE 146 N 0.17 0.86 -0.61 -1.22 1.08 -0.82 -2.55 117.51 114.42 2k2i h ILE 146 Ca 0.14 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2k2i h ILE 146 Cb 0.15 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 2k2i h ILE 146 CO -0.18 0.06 0.40 -0.78 -0.69 0.00 0.00 178.15 176.96 2k2i h ASP 147 N 0.35 0.68 -0.76 1.72 3.58 -0.06 0.56 116.42 122.49 2k2i h ASP 147 Ca 0.22 -0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.77 2k2i h ASP 147 Cb 0.21 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.02 2k2i h ASP 147 CO -0.22 0.49 0.38 -0.08 -2.88 0.00 0.00 179.24 176.93 2k2i h GLU 148 N 0.80 0.59 0.00 0.28 4.57 -0.57 -3.31 114.58 116.95 2k2i h GLU 148 Ca 0.23 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 2k2i h GLU 148 Cb -0.07 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 2k2i h GLU 148 CO -0.06 0.39 -0.83 0.00 -1.18 0.00 0.00 179.01 177.33 2k2i h ALA 149 N 1.47 0.17 -0.39 2.92 0.00 -1.02 -3.41 119.26 118.99 2k2i h ALA 149 Ca 0.39 -0.93 -0.72 0.00 0.00 0.00 0.00 54.91 53.64 2k2i h ALA 149 Cb 0.45 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2k2i h ALA 149 CO -0.30 0.48 2.69 -3.47 0.00 0.00 0.00 179.25 178.65 2k2i n ASP 150 N -4.50 4.35 0.00 0.00 -0.08 0.19 -4.69 116.55 111.81 2k2i n ASP 150 Ca -0.23 -2.92 0.14 0.00 -1.51 0.00 0.00 54.79 50.27 2k2i n ASP 150 Cb 0.57 -1.62 0.66 0.00 2.34 0.00 0.00 41.12 43.07 2k2i n ASP 150 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k2i n ARG 151 N 5.82 0.16 -0.01 -0.67 1.74 -1.26 -2.80 116.66 119.64 2k2i n ARG 151 Ca 0.48 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 57.36 2k2i n ARG 151 Cb 0.39 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.20 2k2i n ARG 151 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2k2i h ASP 152 N 0.00 0.33 0.00 0.55 3.58 -1.93 -3.50 116.42 115.45 2k2i h ASP 152 Ca 0.00 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.62 2k2i h ASP 152 Cb 0.41 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2k2i h ASP 152 CO 0.00 1.59 0.00 0.61 -2.88 0.00 0.00 179.24 178.56 2k2i n GLY 153 N 1.72 0.81 0.08 -0.78 0.00 -1.12 -5.06 105.19 100.84 2k2i n GLY 153 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2k2i n GLY 153 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k2i h ASP 154 N 0.00 0.00 0.00 1.61 3.58 -1.97 -3.49 116.42 116.15 2k2i h ASP 154 Ca 0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k2i h ASP 154 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k2i h ASP 154 CO 0.00 1.08 0.00 0.61 -2.88 0.00 0.00 179.24 178.05 2k2i n GLY 155 N 1.55 1.54 3.46 -0.78 0.00 -1.26 -5.10 105.19 104.60 2k2i n GLY 155 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2k2i n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 156 N -0.04 0.51 -0.18 1.61 2.02 -1.26 -4.20 118.70 117.17 2k2i s GLU 156 Ca 0.00 1.12 -0.16 0.00 0.02 0.00 0.00 54.97 55.95 2k2i s GLU 156 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 2k2i s GLU 156 CO 0.00 -0.19 0.39 0.08 0.02 0.00 0.00 175.26 175.57 2k2i s VAL 157 N 2.07 5.22 1.03 2.63 1.01 0.10 -4.78 120.40 127.68 2k2i s VAL 157 Ca -0.07 0.72 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 2k2i s VAL 157 Cb -0.09 -3.73 0.20 0.00 0.00 0.00 0.00 36.38 32.77 2k2i s VAL 157 CO -0.16 0.29 1.14 -0.94 0.00 0.00 0.00 175.10 175.43 2k2i s SER 158 N 0.86 2.44 0.07 3.32 1.04 -1.26 0.43 113.70 120.60 2k2i s SER 158 Ca 0.20 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.26 2k2i s SER 158 Cb -0.14 -1.27 -0.10 0.00 0.10 0.00 0.00 66.02 64.61 2k2i s SER 158 CO 0.08 -3.20 1.50 1.05 0.98 0.00 0.00 173.24 173.65 2k2i h GLU 159 N -1.95 0.38 -0.03 4.02 -0.00 -1.97 -0.89 114.58 114.14 2k2i h GLU 159 Ca -0.49 -0.12 -0.16 0.00 -0.00 0.00 0.00 59.36 58.58 2k2i h GLU 159 Cb 1.31 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.01 2k2i h GLU 159 CO 0.50 0.57 -0.70 -0.56 -0.00 0.00 0.00 179.01 178.82 2k2i h GLN 160 N 0.13 0.17 -0.27 1.06 3.07 -1.98 -0.22 115.11 117.09 2k2i h GLN 160 Ca 0.06 -0.14 -0.14 0.00 0.09 0.00 0.00 58.65 58.51 2k2i h GLN 160 Cb 0.41 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 2k2i h GLN 160 CO 0.01 0.81 -0.42 0.93 0.09 0.00 0.00 178.83 180.25 2k2i h GLU 161 N 0.12 0.66 0.11 0.06 3.07 -1.89 0.47 114.58 117.19 2k2i h GLU 161 Ca -0.02 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.48 2k2i h GLU 161 Cb 1.25 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2k2i h GLU 161 CO 0.10 0.96 -0.06 0.35 -1.40 0.00 0.00 179.01 178.97 2k2i h PHE 162 N 0.54 -0.15 -0.80 4.33 3.57 -1.05 -0.02 116.94 123.37 2k2i h PHE 162 Ca 0.04 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2k2i h PHE 162 Cb 0.95 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 2k2i h PHE 162 CO 0.04 -0.09 0.48 -0.07 -2.23 0.00 0.00 178.31 176.45 2k2i h LEU 163 N -0.16 0.75 -0.02 0.59 3.38 -0.84 0.11 115.31 119.13 2k2i h LEU 163 Ca -0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2k2i h LEU 163 Cb 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2k2i h LEU 163 CO 0.02 0.48 -0.22 0.03 0.09 0.00 0.00 178.44 178.85 2k2i h ARG 164 N 0.89 -0.33 -0.31 1.13 -0.00 0.13 0.12 114.38 116.01 2k2i h ARG 164 Ca 0.35 0.02 -0.11 0.00 -0.50 0.00 0.00 59.98 59.74 2k2i h ARG 164 Cb 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 2k2i h ARG 164 CO -0.17 -0.22 -0.28 -0.84 0.00 0.00 0.00 179.97 178.46 2k2i h ILE 165 N -0.34 1.28 -0.21 2.04 -0.00 -0.65 0.18 117.51 119.80 2k2i h ILE 165 Ca 0.07 -1.38 -0.10 0.00 -0.00 0.00 0.00 64.86 63.44 2k2i h ILE 165 Cb 0.43 1.34 -0.01 0.00 -0.00 0.00 0.00 36.82 38.58 2k2i h ILE 165 CO -0.21 0.45 -0.31 0.24 -0.00 0.00 0.00 178.15 178.31 2k2i h MET 166 N 0.55 0.43 -0.16 0.16 2.86 -0.68 0.11 114.93 118.20 2k2i h MET 166 Ca 0.07 -0.18 -0.20 0.00 -2.06 0.00 0.00 59.70 57.33 2k2i h MET 166 Cb 0.76 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.41 2k2i h MET 166 CO 0.06 0.70 -0.69 -0.22 1.06 0.00 0.00 176.91 177.83 2k2i h LYS 167 N 0.38 0.74 0.31 1.72 3.64 -0.61 -3.35 116.57 119.40 2k2i h LYS 167 Ca 0.05 -0.59 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 2k2i h LYS 167 Cb 0.73 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2k2i h LYS 167 CO 0.06 1.20 -0.15 -0.22 -2.27 0.00 0.00 179.45 178.07 2k2i h LYS 168 N 0.46 -0.41 -5.17 1.90 3.11 -0.36 -3.33 116.57 112.76 2k2i h LYS 168 Ca -0.04 0.03 -0.69 0.00 -2.81 0.00 0.00 60.65 57.13 2k2i h LYS 168 Cb 1.32 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 32.57 2k2i h LYS 168 CO 0.14 -0.25 2.47 2.41 -2.81 0.00 0.00 179.45 181.42 2k2i n THR 169 N -5.26 3.81 -1.40 1.00 -1.04 0.35 -4.52 114.28 107.22 2k2i n THR 169 Ca -0.10 -3.79 -0.27 0.00 -2.04 0.00 0.00 64.05 57.85 2k2i n THR 169 Cb 0.20 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.25 2k2i n THR 169 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2k2i n SER 170 N 7.45 6.67 -3.03 8.00 3.41 -1.25 -4.65 113.62 130.23 2k2i n SER 170 Ca 0.49 -3.29 -0.10 0.00 -0.26 0.00 0.00 58.87 55.71 2k2i n SER 170 Cb 0.43 -1.16 0.05 0.00 -0.26 0.00 0.00 64.21 63.27 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k2i n LEU 171 N 0.48 -5.54 0.00 1.04 7.94 -1.26 -5.22 117.00 114.44 2k2i n LEU 171 Ca 0.46 -0.50 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2k2i n LEU 171 Cb 0.53 -2.98 0.00 0.00 0.53 0.00 0.00 43.42 41.50 2k2i n LEU 171 CO 0.39 -0.18 0.00 0.00 -1.11 0.00 0.00 177.39 176.50