#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkx h GLN 91 N 0.00 0.68 -0.63 4.33 7.50 -1.98 -3.36 115.11 121.65 2kkx h GLN 91 Ca 0.00 -0.40 0.10 0.00 0.50 0.00 0.00 58.65 58.85 2kkx h GLN 91 Cb 0.00 0.03 -0.07 0.00 0.05 0.00 0.00 27.48 27.49 2kkx h GLN 91 CO 0.00 1.01 0.25 1.05 -1.50 0.00 0.00 178.83 179.64 2kkx h GLU 92 N 0.40 0.42 -0.19 1.46 4.11 -1.98 -0.16 114.58 118.63 2kkx h GLU 92 Ca 0.03 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2kkx h GLU 92 Cb 0.94 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kkx h GLU 92 CO 0.08 0.28 -0.57 1.03 0.07 0.00 0.00 179.01 179.90 2kkx h SER 93 N 0.43 0.67 -0.64 3.06 0.87 -2.01 -1.45 113.55 114.49 2kkx h SER 93 Ca 0.32 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2kkx h SER 93 Cb 0.40 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2kkx h SER 93 CO -0.31 1.10 0.25 0.40 -0.53 0.00 0.00 176.83 177.74 2kkx h ILE 94 N 0.45 1.24 -0.10 2.23 2.04 -1.44 -2.27 117.51 119.66 2kkx h ILE 94 Ca 0.00 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 2kkx h ILE 94 Cb 1.13 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2kkx h ILE 94 CO 0.11 0.29 -0.37 1.56 0.00 0.00 0.00 178.15 179.74 2kkx h GLN 95 N 0.90 0.20 -0.39 2.37 1.08 -0.86 0.11 115.11 118.51 2kkx h GLN 95 Ca 0.21 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2kkx h GLN 95 Cb 0.21 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2kkx h GLN 95 CO -0.02 0.55 0.22 -0.91 -0.95 0.00 0.00 178.83 177.72 2kkx h ASN 96 N 0.17 0.34 -0.53 1.46 2.35 -0.99 -1.42 115.58 116.96 2kkx h ASN 96 Ca 0.02 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 2kkx h ASN 96 Cb 0.74 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2kkx h ASN 96 CO 0.06 0.24 -0.09 0.11 -1.65 0.00 0.00 177.43 176.10 2kkx h LYS 97 N 0.44 0.99 -0.39 0.81 6.56 -0.77 -2.42 116.57 121.79 2kkx h LYS 97 Ca 0.16 -0.36 -0.03 0.00 -1.06 0.00 0.00 60.65 59.36 2kkx h LYS 97 Cb 0.04 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 2kkx h LYS 97 CO -0.09 1.04 0.11 0.82 -2.06 0.00 0.00 179.45 179.27 2kkx h ILE 98 N 0.86 1.22 -0.30 1.86 2.04 -0.72 0.52 117.51 122.99 2kkx h ILE 98 Ca 0.14 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 2kkx h ILE 98 Cb 0.65 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2kkx h ILE 98 CO 0.04 0.25 -0.20 -1.28 0.00 0.00 0.00 178.15 176.97 2kkx h SER 99 N 0.48 0.54 0.00 1.72 0.87 -1.20 -2.26 113.55 113.71 2kkx h SER 99 Ca 0.12 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2kkx h SER 99 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2kkx h SER 99 CO -0.00 0.75 -0.47 1.56 -0.53 0.00 0.00 176.83 178.14 2kkx h GLN 100 N 0.49 0.00 0.00 2.24 1.08 -1.37 -3.38 115.11 114.17 2kkx h GLN 100 Ca 0.08 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2kkx h GLN 100 Cb 0.62 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2kkx h GLN 100 CO 0.04 0.80 -0.03 0.00 -0.95 0.00 0.00 178.83 178.69 2kkx s LYS 102 N -4.02 -0.61 0.14 0.00 -2.85 -0.85 -2.86 119.74 108.68 2kkx s LYS 102 Ca -0.03 0.30 -0.21 0.00 -1.00 0.00 0.00 55.97 55.03 2kkx s LYS 102 Cb 0.12 -1.63 0.06 0.00 -2.06 0.00 0.00 37.83 34.31 2kkx s LYS 102 CO 0.50 -3.38 0.55 -0.59 0.10 0.00 0.00 175.35 172.52 2kkx s PHE 103 N -2.88 -0.45 -0.48 1.78 -0.71 -0.55 -4.87 117.98 109.82 2kkx s PHE 103 Ca 0.68 0.24 -0.29 0.00 -1.04 0.00 0.00 56.93 56.53 2kkx s PHE 103 Cb -0.16 0.47 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2kkx s PHE 103 CO 0.58 -0.80 1.30 0.45 -1.34 0.00 0.00 175.22 175.41 2kkx s SER 104 N -2.69 6.40 0.18 1.98 0.15 -1.26 -1.47 113.70 116.99 2kkx s SER 104 Ca 0.01 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 2kkx s SER 104 Cb -0.00 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 2kkx s SER 104 CO -0.12 -1.44 1.23 -0.69 1.20 0.00 0.00 173.24 173.43 2kkx s VAL 105 N 5.19 3.47 -0.34 4.45 1.01 -0.09 -4.95 120.40 129.15 2kkx s VAL 105 Ca 0.53 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 2kkx s VAL 105 Cb -0.10 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.62 2kkx s VAL 105 CO 0.30 0.19 0.17 0.00 0.00 0.00 0.00 175.10 175.76 2kkx h PRO 107 N 7.56 0.64 0.04 0.00 0.13 -1.94 -0.96 132.00 137.46 2kkx h PRO 107 Ca -0.07 -0.04 -0.24 0.00 -0.87 0.00 0.00 66.00 64.78 2kkx h PRO 107 Cb 0.98 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2kkx h PRO 107 CO 0.40 0.43 -1.18 1.05 -0.23 0.00 0.00 178.00 178.46 2kkx h GLU 108 N 0.66 0.08 -0.02 0.86 -0.00 -1.94 -1.38 114.58 112.85 2kkx h GLU 108 Ca 0.26 -0.14 -0.25 0.00 -0.00 0.00 0.00 59.36 59.22 2kkx h GLU 108 Cb 0.19 0.05 0.02 0.00 -0.00 0.00 0.00 28.75 29.02 2kkx h GLU 108 CO -0.08 1.00 -0.98 0.00 -0.00 0.00 0.00 179.01 178.96 2kkx h ARG 109 N 0.02 0.69 0.00 1.06 3.08 -1.89 -3.19 114.38 114.15 2kkx h ARG 109 Ca -0.09 -0.72 0.00 0.00 0.07 0.00 0.00 59.98 59.24 2kkx h ARG 109 Cb 1.87 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.12 2kkx h ARG 109 CO 0.14 1.30 0.00 1.28 -1.07 0.00 0.00 179.97 181.63 2kkx n LEU 110 N -3.90 0.73 -0.07 3.04 4.77 -0.39 -4.90 117.00 116.29 2kkx n LEU 110 Ca -0.11 0.66 -0.01 0.00 -0.03 0.00 0.00 56.01 56.52 2kkx n LEU 110 Cb 0.85 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2kkx n LEU 110 CO 0.55 -0.51 -0.01 0.00 -1.33 0.00 0.00 177.39 176.09 2kkx n GLN 111 N -2.28 -1.55 -3.46 3.23 1.13 -0.85 -4.99 117.38 108.61 2kkx n GLN 111 Ca 0.03 0.43 -0.37 0.00 -1.94 0.00 0.00 57.00 55.15 2kkx n GLN 111 Cb 0.27 -4.61 -0.07 0.00 0.11 0.00 0.00 30.24 25.94 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx s PRO 113 N 0.41 2.44 0.16 0.00 0.04 -1.26 -4.57 135.00 132.21 2kkx s PRO 113 Ca 0.20 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 2kkx s PRO 113 Cb -0.14 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.60 2kkx s PRO 113 CO 0.07 -1.56 1.68 -0.07 0.04 0.00 0.00 177.00 177.15 2kkx h LEU 114 N -0.22 -0.32 -0.92 -3.56 3.38 -1.96 -1.65 115.31 110.07 2kkx h LEU 114 Ca -0.47 0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.71 2kkx h LEU 114 Cb 1.27 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 42.16 2kkx h LEU 114 CO 0.52 -0.11 0.56 1.05 0.09 0.00 0.00 178.44 180.54 2kkx h GLU 115 N 0.02 0.89 0.00 1.13 4.11 -1.96 0.25 114.58 119.03 2kkx h GLU 115 Ca 0.19 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.54 2kkx h GLU 115 Cb 0.28 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kkx h GLU 115 CO -0.38 0.59 -0.10 0.00 0.07 0.00 0.00 179.01 179.19 2kkx h ALA 116 N 1.49 1.05 0.00 1.06 0.00 -1.67 -2.81 119.26 118.37 2kkx h ALA 116 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kkx h ALA 116 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kkx h ALA 116 CO -0.24 0.12 -0.13 0.44 0.00 0.00 0.00 179.25 179.44 2kkx n ILE 117 N -3.27 1.13 -2.25 0.00 -5.35 -0.96 -4.78 119.36 103.88 2kkx n ILE 117 Ca -0.00 -1.33 -0.41 0.00 -0.27 0.00 0.00 62.75 60.74 2kkx n ILE 117 Cb 0.32 0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.34 2kkx n ILE 117 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kkx s GLN 118 N -1.65 4.44 -0.34 6.28 0.74 0.85 -4.29 119.66 125.68 2kkx s GLN 118 Ca 0.17 2.05 -0.29 0.00 0.05 0.00 0.00 55.36 57.34 2kkx s GLN 118 Cb 0.15 -3.15 -0.00 0.00 1.10 0.00 0.00 33.01 31.10 2kkx s GLN 118 CO 0.02 -0.12 1.45 0.00 -0.55 0.00 0.00 175.29 176.09 2kkx n PRO 120 N 7.85 0.37 -0.07 0.00 -0.04 -1.26 -1.36 135.00 140.48 2kkx n PRO 120 Ca 0.17 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2kkx n PRO 120 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2kkx n PRO 120 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kkx h ILE 121 N 0.00 0.78 0.00 0.52 2.04 -1.93 -3.39 117.51 115.53 2kkx h ILE 121 Ca 0.00 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2kkx h ILE 121 Cb 0.14 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2kkx h ILE 121 CO 0.00 0.26 -0.54 0.35 0.00 0.00 0.00 178.15 178.23 2kkx n THR 122 N -4.64 0.17 -3.11 -0.27 -2.24 -1.18 -4.96 114.28 98.05 2kkx n THR 122 Ca -0.10 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 2kkx n THR 122 Cb 0.33 0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.62 2kkx n THR 122 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkx n LEU 123 N -1.79 -2.81 -3.79 3.22 7.99 -0.46 -5.01 117.00 114.34 2kkx n LEU 123 Ca 0.04 -0.33 -0.12 0.00 -0.01 0.00 0.00 56.01 55.59 2kkx n LEU 123 Cb 0.39 -2.87 -0.09 0.00 -0.11 0.00 0.00 43.42 40.74 2kkx n LEU 123 CO 0.35 0.32 -0.02 -1.83 -1.51 0.00 0.00 177.39 174.70 2kkx s GLU 124 N -5.79 0.67 -0.19 3.23 -1.05 -1.20 -5.01 118.70 109.36 2kkx s GLU 124 Ca 0.35 -0.34 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 2kkx s GLU 124 Cb -0.16 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2kkx s GLU 124 CO 0.44 -0.19 1.65 -1.14 0.95 0.00 0.00 175.26 176.97 2kkx s GLN 125 N -1.74 3.82 0.75 -4.83 -0.44 -1.26 -1.17 119.66 114.79 2kkx s GLN 125 Ca -0.11 1.76 -0.11 0.00 -2.50 0.00 0.00 55.36 54.41 2kkx s GLN 125 Cb -0.04 -4.05 0.04 0.00 -1.64 0.00 0.00 33.01 27.32 2kkx s GLN 125 CO 0.01 -1.26 1.08 -1.25 0.50 0.00 0.00 175.29 174.37 2kkx s PRO 126 N 4.66 2.50 0.05 1.67 0.04 -1.26 -4.90 135.00 137.76 2kkx s PRO 126 Ca 0.73 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2kkx s PRO 126 Cb -0.27 -1.93 -0.23 0.00 0.04 0.00 0.00 34.50 32.11 2kkx s PRO 126 CO 0.30 -1.44 1.01 1.05 0.04 0.00 0.00 177.00 177.96 2kkx h GLU 127 N -0.98 0.05 -3.38 4.56 4.11 -1.93 -3.42 114.58 113.58 2kkx h GLU 127 Ca -0.44 -0.08 -0.16 0.00 0.07 0.00 0.00 59.36 58.76 2kkx h GLU 127 Cb 1.22 0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 2kkx h GLU 127 CO 0.53 0.86 -0.48 -1.59 0.07 0.00 0.00 179.01 178.41 2kkx s LYS 128 N -2.66 0.37 0.16 1.06 0.00 -1.26 -0.91 119.74 116.51 2kkx s LYS 128 Ca -0.02 -0.09 -0.25 0.00 0.00 0.00 0.00 55.97 55.61 2kkx s LYS 128 Cb 0.09 0.16 0.06 0.00 0.00 0.00 0.00 37.83 38.14 2kkx s LYS 128 CO 0.83 -0.08 0.94 0.20 0.00 0.00 0.00 175.35 177.24 2kkx s GLY 129 N -0.71 -0.22 0.17 0.59 0.00 -0.54 -2.03 107.32 104.57 2kkx s GLY 129 Ca -0.08 0.10 0.10 0.00 0.00 0.00 0.00 44.72 44.85 2kkx s GLY 129 CO 0.01 0.00 -0.23 -0.26 0.00 0.00 0.00 173.10 172.63 2kkx s ILE 130 N -3.34 2.14 -0.32 0.90 -4.36 0.20 -1.49 121.20 114.94 2kkx s ILE 130 Ca 0.12 -1.92 -0.14 0.00 -0.26 0.00 0.00 60.65 58.45 2kkx s ILE 130 Cb -0.02 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 2kkx s ILE 130 CO 0.02 -0.13 0.31 -0.36 0.24 0.00 0.00 174.94 175.02 2kkx s PHE 131 N -1.63 3.22 -0.20 1.37 0.08 -1.26 -1.39 117.98 118.18 2kkx s PHE 131 Ca 0.17 0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.24 2kkx s PHE 131 Cb -0.08 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 2kkx s PHE 131 CO 0.08 -0.33 -0.04 0.08 -0.10 0.00 0.00 175.22 174.91 2kkx s VAL 132 N 1.92 3.55 -0.41 -0.44 1.01 -0.86 -2.20 120.40 122.97 2kkx s VAL 132 Ca 0.10 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2kkx s VAL 132 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2kkx s VAL 132 CO 0.11 0.44 1.66 -1.59 0.00 0.00 0.00 175.10 175.72 2kkx s LYS 133 N 1.12 3.32 -1.22 2.72 -2.85 0.32 -2.15 119.74 121.01 2kkx s LYS 133 Ca 0.02 1.10 -0.19 0.00 -1.00 0.00 0.00 55.97 55.90 2kkx s LYS 133 Cb -0.15 -4.16 -0.01 0.00 -2.06 0.00 0.00 37.83 31.45 2kkx s LYS 133 CO -0.00 -1.88 1.93 -1.71 0.10 0.00 0.00 175.35 173.79 2kkx n ASN 134 N 10.07 3.84 0.09 0.03 4.05 -0.07 -4.73 115.26 128.54 2kkx n ASN 134 Ca 0.20 -2.81 -0.03 0.00 0.45 0.00 0.00 54.58 52.39 2kkx n ASN 134 Cb 0.48 -1.62 0.20 0.00 1.23 0.00 0.00 39.78 40.07 2kkx n ASN 134 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 177.26 172.93 2kkx h SER 135 N 7.78 0.26 -0.56 1.20 0.87 -1.87 0.09 113.55 121.31 2kkx h SER 135 Ca 0.42 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2kkx h SER 135 Cb 0.80 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2kkx h SER 135 CO 1.59 0.67 0.35 -0.78 -0.53 0.00 0.00 176.83 178.13 2kkx h ASP 136 N 0.20 0.58 0.13 6.23 3.58 -1.98 -3.29 116.42 121.87 2kkx h ASP 136 Ca 0.01 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2kkx h ASP 136 Cb 0.87 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2kkx h ASP 136 CO 0.07 0.41 -0.06 1.23 -2.88 0.00 0.00 179.24 178.01 2kkx h GLY 137 N 0.70 -0.19 -2.21 -0.78 0.00 -1.92 -3.46 103.07 95.22 2kkx h GLY 137 Ca 0.22 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2kkx h GLY 137 CO -0.08 -0.07 -0.13 1.44 0.00 0.00 0.00 176.54 177.70 2kkx n SER 138 N -2.86 -0.53 -1.42 0.19 7.64 -1.05 -4.98 113.62 110.62 2kkx n SER 138 Ca -0.02 -1.12 -0.16 0.00 1.01 0.00 0.00 58.87 58.58 2kkx n SER 138 Cb 0.07 0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 2kkx n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kkx n ASP 139 N -0.22 -4.82 -4.68 6.43 2.03 -0.02 -4.96 116.55 110.31 2kkx n ASP 139 Ca -0.12 0.24 -0.42 0.00 0.52 0.00 0.00 54.79 55.01 2kkx n ASP 139 Cb 0.52 -3.79 -0.03 0.00 -0.72 0.00 0.00 41.12 37.11 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kkx s VAL 140 N -2.66 4.50 -0.27 5.18 1.01 -0.98 -4.01 120.40 123.18 2kkx s VAL 140 Ca 0.00 1.80 -0.26 0.00 0.00 0.00 0.00 61.98 63.52 2kkx s VAL 140 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2kkx s VAL 140 CO 0.00 -0.02 0.91 0.00 0.00 0.00 0.00 175.10 175.99 2kkx s THR 142 N 3.08 3.44 -0.57 0.00 2.01 -0.91 -4.70 115.64 117.98 2kkx s THR 142 Ca 0.38 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 2kkx s THR 142 Cb -0.14 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 69.99 2kkx s THR 142 CO 0.09 0.55 0.82 -0.22 -0.69 0.00 0.00 174.62 175.17 2kkx s LEU 143 N -0.13 4.63 -0.10 4.42 2.96 -1.26 -2.04 118.68 127.16 2kkx s LEU 143 Ca 0.00 -0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 52.95 2kkx s LEU 143 Cb -0.13 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 2kkx s LEU 143 CO 0.03 -1.17 0.26 -0.36 -1.32 0.00 0.00 176.35 173.79 2kkx s PHE 144 N 3.40 3.59 0.20 5.38 0.08 -0.48 -3.16 117.98 126.99 2kkx s PHE 144 Ca 0.21 0.67 -0.33 0.00 0.12 0.00 0.00 56.93 57.60 2kkx s PHE 144 Cb -0.17 -2.16 -0.13 0.00 -0.57 0.00 0.00 43.02 39.99 2kkx s PHE 144 CO 0.13 0.56 1.64 -3.47 -0.10 0.00 0.00 175.22 173.98 2kkx n ASP 145 N 2.42 3.57 -0.26 1.36 -0.08 -1.26 -0.63 116.55 121.67 2kkx n ASP 145 Ca -0.16 1.08 0.01 0.00 -1.51 0.00 0.00 54.79 54.21 2kkx n ASP 145 Cb 0.53 -1.51 0.14 0.00 2.34 0.00 0.00 41.12 42.62 2kkx n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kkx h ALA 146 N 6.21 1.04 0.00 -1.67 0.00 -1.70 -0.32 119.26 122.82 2kkx h ALA 146 Ca -0.44 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2kkx h ALA 146 Cb 1.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2kkx h ALA 146 CO 0.91 0.03 -0.84 0.00 0.00 0.00 0.00 179.25 179.36 2kkx h ALA 147 N 1.42 0.49 -0.10 0.00 0.00 -1.90 -1.93 119.26 117.24 2kkx h ALA 147 Ca 0.36 -0.76 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 2kkx h ALA 147 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kkx h ALA 147 CO -0.24 1.05 -0.76 0.00 0.00 0.00 0.00 179.25 179.30 2kkx h ALA 148 N 1.16 0.49 0.07 0.00 0.00 -1.72 -0.43 119.26 118.82 2kkx h ALA 148 Ca -0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 54.91 54.01 2kkx h ALA 148 Cb 1.61 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.38 2kkx h ALA 148 CO 0.11 0.74 -1.16 0.35 0.00 0.00 0.00 179.25 179.29 2kkx h PHE 149 N 0.37 1.00 -0.72 0.00 3.57 -1.15 -2.73 116.94 117.27 2kkx h PHE 149 Ca -0.04 -0.59 0.13 0.00 3.53 0.00 0.00 57.97 60.99 2kkx h PHE 149 Cb 1.35 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 2kkx h PHE 149 CO 0.06 1.43 0.48 1.03 -2.23 0.00 0.00 178.31 179.08 2kkx h SER 150 N 0.32 0.44 0.37 0.41 0.87 -1.35 -1.17 113.55 113.44 2kkx h SER 150 Ca -0.16 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2kkx h SER 150 Cb 1.82 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2kkx h SER 150 CO 0.22 0.24 -0.18 -0.09 -0.53 0.00 0.00 176.83 176.50 2kkx h ARG 151 N 0.48 -0.48 -0.67 2.24 9.65 -0.95 -1.28 114.38 123.37 2kkx h ARG 151 Ca 0.35 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.34 2kkx h ARG 151 Cb 0.69 0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 29.32 2kkx h ARG 151 CO -0.11 -0.23 0.33 -0.07 2.80 0.00 0.00 179.97 182.68 2kkx h LEU 152 N -0.66 0.44 -0.18 3.80 3.38 -1.08 0.23 115.31 121.24 2kkx h LEU 152 Ca -0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kkx h LEU 152 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2kkx h LEU 152 CO 0.08 0.27 0.04 0.58 0.09 0.00 0.00 178.44 179.50 2kkx h VAL 153 N 0.59 1.21 -0.18 1.22 2.07 -1.26 0.16 116.25 120.05 2kkx h VAL 153 Ca 0.32 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2kkx h VAL 153 Cb 0.30 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2kkx h VAL 153 CO -0.24 0.21 -0.01 1.23 0.02 0.00 0.00 177.57 178.78 2kkx h GLY 154 N 0.10 0.28 1.70 2.17 0.00 -0.51 -2.52 103.07 104.31 2kkx h GLY 154 Ca 0.06 -0.14 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 2kkx h GLY 154 CO 0.00 0.14 -1.11 0.83 0.00 0.00 0.00 176.54 176.40 2kkx h GLU 155 N 0.26 0.00 0.00 4.80 4.39 -0.86 -3.48 114.58 119.70 2kkx h GLU 155 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kkx h GLU 155 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kkx h GLU 155 CO 0.00 0.76 0.00 0.41 -1.16 0.00 0.00 179.01 179.03 2kkx n GLY 156 N 1.38 0.92 3.73 -3.84 0.00 -0.50 -5.09 105.19 101.78 2kkx n GLY 156 Ca -0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2kkx n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkx s LEU 157 N 0.00 4.50 0.00 0.99 1.43 0.45 -5.01 118.68 121.04 2kkx s LEU 157 Ca 0.00 1.82 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2kkx s LEU 157 Cb 0.00 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.66 2kkx s LEU 157 CO 0.00 -0.09 0.15 -0.81 0.23 0.00 0.00 176.35 175.84 2kkx n PRO 158 N 2.77 -0.78 -1.75 1.29 -0.04 -1.26 -4.22 135.00 131.02 2kkx n PRO 158 Ca 0.02 -0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 2kkx n PRO 158 Cb 0.49 -0.19 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 2kkx n PRO 158 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kkx s HIS 159 N -1.31 2.00 -0.87 0.54 5.65 -0.39 -4.88 115.29 116.03 2kkx s HIS 159 Ca 0.09 -0.06 0.18 0.00 0.25 0.00 0.00 55.06 55.52 2kkx s HIS 159 Cb -0.01 -4.15 0.75 0.00 -1.18 0.00 0.00 32.58 27.99 2kkx s HIS 159 CO 0.07 -4.84 1.56 -0.35 -0.65 0.00 0.00 174.74 170.53 2kkx n PRO 160 N 6.10 0.05 -0.03 2.88 -0.04 -1.26 -0.73 135.00 141.97 2kkx n PRO 160 Ca 0.18 0.27 -0.03 0.00 -0.04 0.00 0.00 63.50 63.88 2kkx n PRO 160 Cb 0.39 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 2kkx n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkx n LEU 161 N -1.69 0.77 -0.61 1.53 4.77 -1.26 -4.77 117.00 115.73 2kkx n LEU 161 Ca 0.03 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 2kkx n LEU 161 Cb 0.20 -0.62 0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2kkx n LEU 161 CO 0.16 -0.44 0.46 1.07 -1.33 0.00 0.00 177.39 177.31 2kkx n THR 162 N -3.27 0.00 -1.24 -5.08 5.66 -1.23 -4.96 114.28 104.17 2kkx n THR 162 Ca -0.05 -0.32 -0.08 0.00 -3.05 0.00 0.00 64.05 60.55 2kkx n THR 162 Cb 0.17 1.22 -0.03 0.00 -1.55 0.00 0.00 70.33 70.14 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkx n ARG 163 N 0.35 -1.19 -2.57 1.09 5.12 0.09 -4.98 116.66 114.57 2kkx n ARG 163 Ca 0.11 0.72 -0.34 0.00 -1.93 0.00 0.00 57.85 56.42 2kkx n ARG 163 Cb 0.49 -4.81 -0.04 0.00 -1.16 0.00 0.00 32.46 26.94 2kkx n ARG 163 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkx s GLU 164 N -2.42 3.88 -0.18 5.56 0.41 -1.26 -4.49 118.70 120.20 2kkx s GLU 164 Ca 0.00 1.27 -0.29 0.00 -0.41 0.00 0.00 54.97 55.54 2kkx s GLU 164 Cb 0.00 -2.11 -0.05 0.00 -1.78 0.00 0.00 34.13 30.19 2kkx s GLU 164 CO 0.00 -0.35 1.91 -1.25 -0.49 0.00 0.00 175.26 175.09 2kkx s PRO 165 N -3.32 3.58 0.13 0.39 0.04 -1.26 -1.26 135.00 133.30 2kkx s PRO 165 Ca 0.65 1.94 -0.33 0.00 0.04 0.00 0.00 61.00 63.30 2kkx s PRO 165 Cb -0.14 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.07 2kkx s PRO 165 CO 0.20 -1.58 1.66 -0.89 0.04 0.00 0.00 177.00 176.43 2kkx n ILE 166 N 6.83 0.12 -3.95 0.56 5.41 -1.26 -4.93 119.36 122.14 2kkx n ILE 166 Ca 0.23 -0.02 -0.09 0.00 1.00 0.00 0.00 62.75 63.88 2kkx n ILE 166 Cb 0.45 -1.69 -0.09 0.00 -0.71 0.00 0.00 39.64 37.60 2kkx n ILE 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kkx s THR 167 N 1.55 0.16 -0.31 1.39 -1.32 -1.26 -4.91 115.64 110.94 2kkx s THR 167 Ca 0.81 -1.31 0.25 0.00 -1.21 0.00 0.00 61.69 60.22 2kkx s THR 167 Cb -0.64 -1.21 0.26 0.00 -1.51 0.00 0.00 72.50 69.40 2kkx s THR 167 CO 0.39 -0.73 1.75 0.00 -2.21 0.00 0.00 174.62 173.82 2kkx h ALA 168 N 3.22 1.00 -0.10 11.08 0.00 -1.92 -2.94 119.26 129.60 2kkx h ALA 168 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2kkx h ALA 168 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kkx h ALA 168 CO 0.57 0.00 -0.03 0.77 0.00 0.00 0.00 179.25 180.56 2kkx h SER 169 N 0.00 0.19 0.44 0.00 0.02 -1.98 -3.30 113.55 108.93 2kkx h SER 169 Ca 0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2kkx h SER 169 Cb 0.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2kkx h SER 169 CO 0.00 0.52 -0.09 2.30 -1.14 0.00 0.00 176.83 178.42 2kkx n ILE 170 N -4.77 0.00 -3.94 3.27 -5.35 -1.11 -4.77 119.36 102.70 2kkx n ILE 170 Ca -0.06 -0.04 -0.37 0.00 -0.27 0.00 0.00 62.75 62.01 2kkx n ILE 170 Cb 0.24 -0.20 -0.07 0.00 -1.74 0.00 0.00 39.64 37.87 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -2.54 5.35 0.36 7.28 2.07 -1.23 -0.52 121.20 131.97 2kkx s ILE 171 Ca 0.28 0.15 0.05 0.00 -1.41 0.00 0.00 60.65 59.71 2kkx s ILE 171 Cb 0.20 -3.33 -0.07 0.00 0.13 0.00 0.00 42.46 39.40 2kkx s ILE 171 CO 0.48 0.61 0.04 0.68 -1.91 0.00 0.00 174.94 174.84 2kkx s VAL 172 N -0.93 1.44 0.41 4.00 -7.23 -0.94 -4.91 120.40 112.24 2kkx s VAL 172 Ca 0.14 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 2kkx s VAL 172 Cb -0.12 -2.84 -0.10 0.00 0.56 0.00 0.00 36.38 33.87 2kkx s VAL 172 CO 0.03 0.00 0.90 -0.54 -0.31 0.00 0.00 175.10 175.18 2kkx s LYS 173 N -3.83 4.17 0.55 4.82 1.02 -1.26 -4.31 119.74 120.90 2kkx s LYS 173 Ca 0.35 1.01 0.36 0.00 0.02 0.00 0.00 55.97 57.72 2kkx s LYS 173 Cb 0.09 -2.24 1.82 0.00 -0.52 0.00 0.00 37.83 36.98 2kkx s LYS 173 CO 0.16 0.01 2.10 1.12 -0.92 0.00 0.00 175.35 177.82 2kkx h HIS 174 N 1.98 0.00 0.00 3.18 2.07 -1.85 -1.44 115.15 119.09 2kkx h HIS 174 Ca -0.49 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 56.92 2kkx h HIS 174 Cb 1.18 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.14 2kkx h HIS 174 CO 0.62 0.00 -1.08 1.49 -3.07 0.00 0.00 177.93 175.89 2kkx h GLU 175 N 0.00 0.00 -0.16 5.12 4.81 -1.93 -3.32 114.58 119.10 2kkx h GLU 175 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kkx h GLU 175 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kkx h GLU 175 CO 0.00 0.26 0.00 0.39 -0.73 0.00 0.00 179.01 178.93 2kkx n GLU 176 N -2.92 1.61 -4.57 1.92 4.71 -0.55 -4.68 120.64 116.16 2kkx n GLU 176 Ca -0.05 -0.93 -0.24 0.00 -0.01 0.00 0.00 57.16 55.94 2kkx n GLU 176 Cb 0.75 -1.35 -0.16 0.00 -1.01 0.00 0.00 31.44 29.66 2kkx n GLU 176 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kkx s ILE 178 N 0.60 0.95 -0.08 0.00 -0.00 -0.36 -4.88 121.20 117.42 2kkx s ILE 178 Ca -0.13 -1.83 -0.30 0.00 -0.00 0.00 0.00 60.65 58.40 2kkx s ILE 178 Cb -0.15 -1.57 -0.05 0.00 -0.00 0.00 0.00 42.46 40.69 2kkx s ILE 178 CO 0.03 -0.69 1.65 -0.72 -0.00 0.00 0.00 174.94 175.22 2kkx s TYR 179 N -2.97 1.99 -0.15 1.37 1.13 -1.26 -1.44 117.35 116.02 2kkx s TYR 179 Ca 0.10 0.27 -0.09 0.00 -1.41 0.00 0.00 57.07 55.94 2kkx s TYR 179 Cb 0.01 -3.92 -0.05 0.00 -1.10 0.00 0.00 41.96 36.90 2kkx s TYR 179 CO -0.01 -3.68 0.15 0.34 -2.51 0.00 0.00 175.55 169.84 2kkx s ASP 180 N 3.56 6.32 0.06 -0.18 -1.08 -0.57 -4.91 116.67 119.86 2kkx s ASP 180 Ca 0.73 0.38 -0.04 0.00 -0.52 0.00 0.00 52.55 53.10 2kkx s ASP 180 Cb -0.32 -2.09 -0.28 0.00 -1.46 0.00 0.00 42.92 38.77 2kkx s ASP 180 CO 0.29 0.29 1.08 -0.78 0.52 0.00 0.00 175.17 176.57 2kkx h ASP 181 N 5.83 0.41 1.04 -0.34 3.58 -1.95 0.93 116.42 125.92 2kkx h ASP 181 Ca -0.48 -0.46 -0.20 0.00 0.42 0.00 0.00 57.03 56.31 2kkx h ASP 181 Cb 1.19 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 2kkx h ASP 181 CO 0.67 1.37 -0.97 0.00 -2.88 0.00 0.00 179.24 177.43 2kkx h THR 182 N 0.07 1.54 0.00 2.25 1.03 -1.95 -3.19 112.91 112.67 2kkx h THR 182 Ca -0.15 -3.21 -0.13 0.00 -0.01 0.00 0.00 66.41 62.91 2kkx h THR 182 Cb 1.98 2.76 -0.02 0.00 -1.07 0.00 0.00 68.15 71.80 2kkx h THR 182 CO 0.19 0.88 -0.74 0.03 -0.01 0.00 0.00 175.52 175.88 2kkx h ARG 183 N 0.00 0.00 -0.18 0.00 2.47 -2.00 -3.48 114.38 111.20 2kkx h ARG 183 Ca -0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2kkx h ARG 183 Cb 1.73 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.02 2kkx h ARG 183 CO 0.12 0.49 -0.07 0.41 0.56 0.00 0.00 179.97 181.48 2kkx n GLY 184 N 1.27 0.67 3.61 0.04 0.00 0.26 -4.98 105.19 106.06 2kkx n GLY 184 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 2kkx n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kkx s ASN 185 N -2.78 -0.29 0.05 1.61 3.84 -0.85 -4.95 114.94 111.57 2kkx s ASN 185 Ca 0.00 -0.18 -0.30 0.00 0.21 0.00 0.00 52.86 52.59 2kkx s ASN 185 Cb 0.00 0.44 -0.09 0.00 -0.55 0.00 0.00 41.25 41.04 2kkx s ASN 185 CO 0.00 -0.76 1.95 0.49 -2.79 0.00 0.00 177.10 175.99 2kkx n PHE 186 N -0.35 2.53 -4.45 0.43 3.01 -1.26 -1.52 117.46 115.86 2kkx n PHE 186 Ca -0.08 -0.33 -0.23 0.00 1.01 0.00 0.00 57.45 57.82 2kkx n PHE 186 Cb 0.61 -2.79 -0.08 0.00 -0.01 0.00 0.00 39.48 37.21 2kkx n PHE 186 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2kkx s ILE 187 N 4.15 0.48 0.54 4.37 -4.36 -0.52 -1.16 121.20 124.69 2kkx s ILE 187 Ca 0.88 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 59.10 2kkx s ILE 187 Cb -0.45 -2.41 -0.06 0.00 1.25 0.00 0.00 42.46 40.79 2kkx s ILE 187 CO 0.42 0.00 1.03 -0.63 0.24 0.00 0.00 174.94 176.00 2kkx s ILE 188 N -3.32 4.01 0.86 8.37 -1.09 -1.26 -1.22 121.20 127.56 2kkx s ILE 188 Ca 0.29 1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 59.62 2kkx s ILE 188 Cb 0.03 -3.49 0.11 0.00 -1.58 0.00 0.00 42.46 37.53 2kkx s ILE 188 CO 0.17 -0.49 1.09 -0.54 -1.23 0.00 0.00 174.94 173.94 2kkx s LYS 189 N -3.86 1.55 0.08 2.79 1.02 -0.44 -4.83 119.74 116.04 2kkx s LYS 189 Ca 0.63 0.95 -0.16 0.00 0.02 0.00 0.00 55.97 57.41 2kkx s LYS 189 Cb -0.14 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 2kkx s LYS 189 CO 0.31 -2.08 1.39 0.78 -0.92 0.00 0.00 175.35 174.83 2kkx h GLY 190 N -1.44 0.66 0.00 -3.33 0.00 -1.97 -3.50 103.07 93.49 2kkx h GLY 190 Ca -0.47 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.16 2kkx h GLY 190 CO 0.53 0.63 0.00 -2.01 0.00 0.00 0.00 176.54 175.69