#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxq s PRO 79 N 0.00 3.16 0.39 1.61 0.02 -1.26 -4.92 135.00 134.00 1oxq s PRO 79 Ca 0.00 1.96 0.09 0.00 0.02 0.00 0.00 61.00 63.07 1oxq s PRO 79 Cb 0.00 -2.13 0.81 0.00 0.02 0.00 0.00 34.50 33.20 1oxq s PRO 79 CO 0.00 -1.09 1.96 0.00 -0.33 0.00 0.00 177.00 177.54 1oxq h ALA 80 N 1.29 1.57 -2.37 -1.55 0.00 -0.42 -3.36 119.26 114.41 1oxq h ALA 80 Ca -0.50 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 1oxq h ALA 80 Cb 1.29 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 18.59 1oxq h ALA 80 CO 0.57 0.32 -0.97 0.34 0.00 0.00 0.00 179.25 179.50 1oxq n PHE 81 N -4.34 -0.75 -0.07 0.00 7.35 0.10 -4.99 117.46 114.76 1oxq n PHE 81 Ca 0.00 -3.35 0.12 0.00 -0.76 0.00 0.00 57.45 53.45 1oxq n PHE 81 Cb 0.20 0.20 0.50 0.00 0.35 0.00 0.00 39.48 40.74 1oxq n PHE 81 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1oxq h PRO 82 N 5.53 0.39 0.00 -7.13 0.11 -1.80 -1.75 132.00 127.34 1oxq h PRO 82 Ca 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1oxq h PRO 82 Cb 0.90 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1oxq h PRO 82 CO 0.39 0.26 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1oxq h GLY 83 N 0.40 0.00 -2.55 -0.55 0.00 -1.94 0.14 103.07 98.56 1oxq h GLY 83 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 1oxq h GLY 83 CO -0.07 0.00 0.06 1.03 0.00 0.00 0.00 176.54 177.56 1oxq n MET 84 N -2.41 3.41 0.27 4.80 2.81 -0.66 -4.56 117.12 120.78 1oxq n MET 84 Ca -0.01 -3.01 0.12 0.00 -1.81 0.00 0.00 57.70 52.98 1oxq n MET 84 Cb 0.06 -2.02 0.74 0.00 -0.71 0.00 0.00 33.22 31.29 1oxq n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1oxq h GLY 85 N 2.37 0.00 -5.00 3.03 0.00 -0.83 -3.43 103.07 99.21 1oxq h GLY 85 Ca 0.09 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.85 1oxq h GLY 85 CO 0.42 0.00 0.56 -0.45 0.00 0.00 0.00 176.54 177.07 1oxq s SER 86 N -6.40 7.12 0.24 0.19 0.15 -1.26 -4.94 113.70 108.80 1oxq s SER 86 Ca -0.04 1.39 -0.07 0.00 0.70 0.00 0.00 55.95 57.93 1oxq s SER 86 Cb 0.15 -2.52 0.25 0.00 -1.71 0.00 0.00 66.02 62.18 1oxq s SER 86 CO 0.60 -0.48 1.92 -0.08 1.20 0.00 0.00 173.24 176.40 1oxq h GLU 87 N 7.24 1.27 -0.21 5.44 4.81 -1.89 -0.91 114.58 130.33 1oxq h GLU 87 Ca -0.28 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1oxq h GLU 87 Cb 1.12 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 1oxq h GLU 87 CO 0.88 0.84 -0.19 1.49 -0.73 0.00 0.00 179.01 181.30 1oxq h GLU 88 N 1.31 -0.19 -0.64 1.92 4.81 -1.95 0.14 114.58 119.98 1oxq h GLU 88 Ca 0.36 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1oxq h GLU 88 Cb -0.14 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1oxq h GLU 88 CO -0.08 -0.13 0.18 1.25 -0.73 0.00 0.00 179.01 179.50 1oxq h LEU 89 N -0.20 0.92 -0.67 1.64 6.46 -1.87 -0.01 115.31 121.59 1oxq h LEU 89 Ca 0.13 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.62 1oxq h LEU 89 Cb 0.39 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1oxq h LEU 89 CO -0.33 0.88 0.05 0.03 -0.62 0.00 0.00 178.44 178.45 1oxq h ARG 90 N 0.95 1.08 -0.40 1.25 3.08 -0.56 -1.84 114.38 117.94 1oxq h ARG 90 Ca 0.21 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1oxq h ARG 90 Cb 0.31 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1oxq h ARG 90 CO -0.00 1.03 0.13 1.25 -1.07 0.00 0.00 179.97 181.31 1oxq h LEU 91 N 1.00 0.58 -1.83 3.04 6.46 -0.26 -2.55 115.31 121.75 1oxq h LEU 91 Ca 0.19 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.81 1oxq h LEU 91 Cb 0.51 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1oxq h LEU 91 CO 0.02 0.62 0.24 0.00 -0.62 0.00 0.00 178.44 178.71 1oxq h ALA 92 N 0.98 2.06 0.00 1.25 0.00 -0.70 -0.98 119.26 121.88 1oxq h ALA 92 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1oxq h ALA 92 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1oxq h ALA 92 CO -0.01 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.98 1oxq n SER 93 N -4.47 0.55 -1.28 0.00 3.41 -0.72 -2.21 113.62 108.90 1oxq n SER 93 Ca 0.04 0.71 0.06 0.00 -0.26 0.00 0.00 58.87 59.42 1oxq n SER 93 Cb 0.28 -0.80 0.26 0.00 -0.26 0.00 0.00 64.21 63.68 1oxq n SER 93 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1oxq n PHE 94 N -2.19 1.18 0.14 7.33 3.72 -0.37 -4.39 117.46 122.87 1oxq n PHE 94 Ca -0.00 -0.44 0.16 0.00 -0.05 0.00 0.00 57.45 57.12 1oxq n PHE 94 Cb 0.10 -0.27 0.73 0.00 -0.94 0.00 0.00 39.48 39.10 1oxq n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1oxq h TYR 95 N 2.73 0.00 -0.27 1.38 -0.00 -1.63 -0.28 116.97 118.90 1oxq h TYR 95 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.55 1oxq h TYR 95 Cb 1.24 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 37.84 1oxq h TYR 95 CO 0.61 0.00 -0.48 -0.25 -0.00 0.00 0.00 178.16 178.04 1oxq n ASP 96 N -4.20 2.78 -4.71 0.10 8.00 -1.26 -5.04 116.55 112.22 1oxq n ASP 96 Ca 0.04 -3.85 -0.42 0.00 0.71 0.00 0.00 54.79 51.27 1oxq n ASP 96 Cb 0.39 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 1oxq n ASP 96 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1oxq s TRP 97 N -3.35 2.65 0.26 1.24 -0.00 -0.12 -4.93 118.94 114.69 1oxq s TRP 97 Ca 0.43 0.31 -0.30 0.00 -0.00 0.00 0.00 56.10 56.54 1oxq s TRP 97 Cb 0.39 -4.07 -0.10 0.00 -0.00 0.00 0.00 33.47 29.69 1oxq s TRP 97 CO -0.03 -4.16 1.41 -1.25 -0.00 0.00 0.00 176.95 172.92 1oxq s PRO 98 N 1.86 4.29 0.50 5.86 0.04 -1.26 -4.91 135.00 141.37 1oxq s PRO 98 Ca 0.75 2.28 0.23 0.00 0.04 0.00 0.00 61.00 64.30 1oxq s PRO 98 Cb -0.45 -3.11 1.31 0.00 0.04 0.00 0.00 34.50 32.28 1oxq s PRO 98 CO 0.33 -0.38 2.05 -0.07 0.04 0.00 0.00 177.00 178.97 1oxq h LEU 99 N 4.78 0.00 -1.74 -3.56 -0.00 -2.00 -2.37 115.31 110.41 1oxq h LEU 99 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1oxq h LEU 99 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1oxq h LEU 99 CO 0.76 0.14 0.00 0.71 -0.00 0.00 0.00 178.44 180.05 1oxq h THR 100 N 0.00 0.00 -0.54 0.22 1.35 -2.01 -3.10 112.91 108.84 1oxq h THR 100 Ca -0.00 -0.23 -0.09 0.00 -0.55 0.00 0.00 66.41 65.54 1oxq h THR 100 Cb 0.32 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1oxq h THR 100 CO 0.02 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.28 1oxq h ALA 101 N 2.05 0.73 -1.52 6.62 0.00 -1.72 -3.47 119.26 121.95 1oxq h ALA 101 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 1oxq h ALA 101 Cb 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1oxq h ALA 101 CO 0.00 0.56 -0.33 0.39 0.00 0.00 0.00 179.25 179.87 1oxq n GLU 102 N -4.26 -1.10 -4.58 0.00 1.02 -1.17 -3.85 120.64 106.70 1oxq n GLU 102 Ca 0.02 0.82 -0.29 0.00 -0.02 0.00 0.00 57.16 57.68 1oxq n GLU 102 Cb 0.34 -5.05 -0.17 0.00 -0.02 0.00 0.00 31.44 26.54 1oxq n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1oxq s VAL 103 N -2.65 1.64 0.08 2.62 1.01 -1.26 -4.16 120.40 117.68 1oxq s VAL 103 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1oxq s VAL 103 Cb 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1oxq s VAL 103 CO 0.00 0.47 1.91 -2.84 0.00 0.00 0.00 175.10 174.64 1oxq s PRO 104 N 0.87 4.14 0.31 2.72 0.02 -1.26 -4.90 135.00 136.90 1oxq s PRO 104 Ca -0.08 2.61 0.08 0.00 0.02 0.00 0.00 61.00 63.63 1oxq s PRO 104 Cb -0.15 -3.90 0.83 0.00 0.02 0.00 0.00 34.50 31.29 1oxq s PRO 104 CO -0.00 -0.91 1.74 -1.35 -0.33 0.00 0.00 177.00 176.15 1oxq h PRO 105 N 9.70 0.60 -0.95 5.54 0.11 -1.98 -1.50 132.00 143.52 1oxq h PRO 105 Ca -0.48 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1oxq h PRO 105 Cb 1.23 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 1oxq h PRO 105 CO 0.94 0.40 0.62 0.93 -0.21 0.00 0.00 178.00 180.68 1oxq h GLU 106 N 0.62 1.08 -0.27 1.05 5.08 -1.94 0.26 114.58 120.46 1oxq h GLU 106 Ca 0.62 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.73 1oxq h GLU 106 Cb 1.12 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1oxq h GLU 106 CO -0.45 0.71 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.62 1oxq h LEU 107 N 1.11 0.94 -0.49 1.33 4.07 -1.69 -2.11 115.31 118.47 1oxq h LEU 107 Ca 0.41 -0.52 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 1oxq h LEU 107 Cb 0.17 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 1oxq h LEU 107 CO -0.16 1.31 0.16 -0.07 -1.08 0.00 0.00 178.44 178.61 1oxq h LEU 108 N 0.64 0.71 -0.37 1.67 3.38 -0.51 -2.06 115.31 118.77 1oxq h LEU 108 Ca 0.01 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1oxq h LEU 108 Cb 1.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1oxq h LEU 108 CO 0.13 0.72 -0.18 0.00 0.09 0.00 0.00 178.44 179.20 1oxq h ALA 109 N 1.02 0.52 -0.33 1.53 0.00 -0.56 -0.96 119.26 120.48 1oxq h ALA 109 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1oxq h ALA 109 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1oxq h ALA 109 CO -0.01 0.46 0.21 0.00 0.00 0.00 0.00 179.25 179.92 1oxq h ALA 110 N 0.80 1.75 -0.13 0.00 0.00 -1.34 -2.10 119.26 118.23 1oxq h ALA 110 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oxq h ALA 110 Cb 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1oxq h ALA 110 CO 0.05 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1oxq n ALA 111 N -2.49 2.50 -0.05 0.00 0.00 -0.78 -4.86 120.51 114.84 1oxq n ALA 111 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1oxq n ALA 111 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1oxq n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oxq n GLY 112 N 0.80 0.65 3.85 0.00 0.00 -0.79 -4.87 105.19 104.83 1oxq n GLY 112 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1oxq n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oxq s PHE 113 N -2.07 3.67 0.25 1.61 0.08 -0.40 -0.99 117.98 120.14 1oxq s PHE 113 Ca 0.00 0.81 0.11 0.00 0.12 0.00 0.00 56.93 57.97 1oxq s PHE 113 Cb 0.00 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1oxq s PHE 113 CO 0.00 0.66 -0.14 -0.59 -0.10 0.00 0.00 175.22 175.05 1oxq s PHE 114 N -0.99 2.44 -0.00 0.36 -0.71 0.20 -3.63 117.98 115.64 1oxq s PHE 114 Ca 0.20 -0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.50 1oxq s PHE 114 Cb -0.15 -1.10 -0.03 0.00 -1.21 0.00 0.00 43.02 40.53 1oxq s PHE 114 CO 0.09 0.63 1.02 -1.58 -1.34 0.00 0.00 175.22 174.05 1oxq s HIS 115 N -2.22 3.60 0.06 3.49 5.65 -1.26 -1.00 115.29 123.61 1oxq s HIS 115 Ca 0.28 1.61 0.29 0.00 0.25 0.00 0.00 55.06 57.50 1oxq s HIS 115 Cb -0.06 -3.18 1.10 0.00 -1.18 0.00 0.00 32.58 29.26 1oxq s HIS 115 CO 0.15 -0.27 1.89 1.79 -0.65 0.00 0.00 174.74 177.66 1oxq h THR 116 N 4.78 0.20 0.00 0.89 1.35 -1.45 -3.47 112.91 115.21 1oxq h THR 116 Ca -0.40 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1oxq h THR 116 Cb 1.21 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1oxq h THR 116 CO 0.77 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1oxq n GLY 117 N 0.19 3.06 3.61 5.82 0.00 -1.26 -5.05 105.19 111.56 1oxq n GLY 117 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1oxq n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oxq s HIS 118 N -2.72 3.25 0.00 1.61 3.76 -1.26 -4.99 115.29 114.94 1oxq s HIS 118 Ca 0.00 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1oxq s HIS 118 Cb 0.00 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.17 1oxq s HIS 118 CO 0.00 -0.19 0.00 1.04 -0.85 0.00 0.00 174.74 174.74 1oxq n GLN 119 N 5.18 0.00 -1.23 1.40 3.00 -1.26 -1.73 117.38 122.74 1oxq n GLN 119 Ca -0.10 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.72 1oxq n GLN 119 Cb 0.51 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.88 1oxq n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1oxq n ASP 120 N 2.58 4.24 -4.70 1.08 5.75 -1.26 -4.62 116.55 119.62 1oxq n ASP 120 Ca 0.00 -3.76 -0.41 0.00 -0.01 0.00 0.00 54.79 50.61 1oxq n ASP 120 Cb 0.00 -0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 39.37 1oxq n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1oxq s LYS 121 N -3.46 4.43 0.31 0.11 1.02 -0.71 -4.34 119.74 117.11 1oxq s LYS 121 Ca 0.52 1.05 0.07 0.00 0.02 0.00 0.00 55.97 57.63 1oxq s LYS 121 Cb 0.44 -3.48 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 1oxq s LYS 121 CO 0.02 -0.06 -0.05 0.14 -0.92 0.00 0.00 175.35 174.48 1oxq s VAL 122 N 1.18 1.77 -0.10 3.17 -7.23 0.46 -1.11 120.40 118.53 1oxq s VAL 122 Ca 0.41 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.36 1oxq s VAL 122 Cb -0.18 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1oxq s VAL 122 CO 0.19 -0.23 0.28 -0.60 -0.31 0.00 0.00 175.10 174.43 1oxq s ARG 123 N -3.71 0.32 0.09 4.82 3.52 -0.17 -1.26 118.95 122.57 1oxq s ARG 123 Ca 0.31 0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 56.00 1oxq s ARG 123 Cb 0.04 0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.52 1oxq s ARG 123 CO 0.14 -0.04 1.05 0.00 -0.81 0.00 0.00 175.30 175.63 1oxq h PHE 125 N 5.97 0.00 0.00 0.00 -0.00 -1.36 -0.37 116.94 121.18 1oxq h PHE 125 Ca -0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.47 1oxq h PHE 125 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 1oxq h PHE 125 CO 0.65 0.19 -0.54 0.35 -0.00 0.00 0.00 178.31 178.96 1oxq h PHE 126 N 0.00 0.00 0.00 6.09 3.04 -1.85 0.36 116.94 124.58 1oxq h PHE 126 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1oxq h PHE 126 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1oxq h PHE 126 CO 0.00 0.77 -1.01 0.00 -2.02 0.00 0.00 178.31 176.04 1oxq n TYR 128 N -1.63 0.00 -2.00 0.00 9.36 -0.15 -4.94 117.16 117.80 1oxq n TYR 128 Ca 0.03 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.84 1oxq n TYR 128 Cb 0.37 -1.60 -0.02 0.00 -0.63 0.00 0.00 39.34 37.46 1oxq n TYR 128 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1oxq s GLY 129 N -2.21 2.45 -0.10 2.98 0.00 -1.26 -4.65 107.32 104.53 1oxq s GLY 129 Ca 0.00 1.34 -0.02 0.00 0.00 0.00 0.00 44.72 46.04 1oxq s GLY 129 CO 0.00 2.24 -0.01 -0.32 0.00 0.00 0.00 173.10 175.01 1oxq s GLY 130 N 0.21 1.81 0.03 0.20 0.00 -1.26 -1.30 107.32 107.00 1oxq s GLY 130 Ca 0.58 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 44.50 1oxq s GLY 130 CO 0.46 -0.44 -0.08 1.08 0.00 0.00 0.00 173.10 174.12 1oxq s LEU 131 N -0.53 2.16 0.00 0.66 1.43 -0.38 -4.99 118.68 117.03 1oxq s LEU 131 Ca 0.09 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1oxq s LEU 131 Cb -0.12 -0.28 -0.00 0.00 0.03 0.00 0.00 46.19 45.82 1oxq s LEU 131 CO 0.02 -0.07 0.40 0.00 0.23 0.00 0.00 176.35 176.92 1oxq n GLN 132 N 2.01 0.57 -3.55 1.70 10.64 -1.26 -0.40 117.38 127.09 1oxq n GLN 132 Ca -0.19 -2.80 -0.19 0.00 -1.83 0.00 0.00 57.00 51.99 1oxq n GLN 132 Cb 0.56 2.55 0.06 0.00 -0.86 0.00 0.00 30.24 32.55 1oxq n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1oxq n SER 133 N -1.69 -2.06 -4.75 2.61 7.64 -1.26 -4.95 113.62 109.15 1oxq n SER 133 Ca 0.03 -0.74 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 1oxq n SER 133 Cb 0.56 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 59.17 1oxq n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1oxq s TRP 134 N -3.52 3.33 0.09 1.43 0.52 -1.26 -5.04 118.94 114.50 1oxq s TRP 134 Ca 0.05 1.46 0.08 0.00 0.02 0.00 0.00 56.10 57.71 1oxq s TRP 134 Cb -0.01 -3.49 -0.03 0.00 -1.15 0.00 0.00 33.47 28.78 1oxq s TRP 134 CO 0.77 -1.34 -0.21 0.15 0.02 0.00 0.00 176.95 176.35 1oxq s LYS 135 N -0.97 1.18 -0.07 4.98 1.02 -1.26 -4.76 119.74 119.86 1oxq s LYS 135 Ca 0.50 -1.13 -0.39 0.00 0.02 0.00 0.00 55.97 54.97 1oxq s LYS 135 Cb -0.35 -1.42 -0.18 0.00 -0.52 0.00 0.00 37.83 35.36 1oxq s LYS 135 CO 0.43 0.34 1.37 -2.13 -0.92 0.00 0.00 175.35 174.43 1oxq n ARG 136 N 1.22 0.70 0.00 1.68 0.63 -1.25 -0.89 116.66 118.76 1oxq n ARG 136 Ca -0.19 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1oxq n ARG 136 Cb 0.53 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1oxq n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oxq n GLY 137 N 2.70 2.65 3.70 5.14 0.00 -1.26 -5.04 105.19 113.07 1oxq n GLY 137 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1oxq n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oxq n ASP 138 N 0.00 3.76 -4.51 1.61 8.00 -0.07 -4.96 116.55 120.38 1oxq n ASP 138 Ca 0.00 1.06 -0.41 0.00 0.71 0.00 0.00 54.79 56.14 1oxq n ASP 138 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.47 1oxq n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oxq s ASP 139 N 1.37 6.12 0.21 -2.24 2.15 -1.26 -4.96 116.67 118.06 1oxq s ASP 139 Ca 0.77 -0.54 -0.13 0.00 0.43 0.00 0.00 52.55 53.09 1oxq s ASP 139 Cb -0.55 -2.17 0.26 0.00 -0.30 0.00 0.00 42.92 40.15 1oxq s ASP 139 CO 0.35 -0.36 1.63 -0.65 -0.17 0.00 0.00 175.17 175.97 1oxq h PRO 140 N 8.55 0.02 -0.85 4.34 0.11 -1.93 0.12 132.00 142.37 1oxq h PRO 140 Ca -0.29 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.87 1oxq h PRO 140 Cb 1.14 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1oxq h PRO 140 CO 0.70 0.02 0.53 -1.49 -0.21 0.00 0.00 178.00 177.55 1oxq h TRP 141 N 0.03 0.99 -0.25 0.65 -0.00 -1.89 0.35 115.95 115.83 1oxq h TRP 141 Ca 0.31 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.18 1oxq h TRP 141 Cb 0.49 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1oxq h TRP 141 CO -0.48 0.53 -0.02 1.15 -0.00 0.00 0.00 178.44 179.63 1oxq h THR 142 N 1.00 1.26 -0.41 1.49 2.02 -1.56 0.08 112.91 116.80 1oxq h THR 142 Ca 0.36 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1oxq h THR 142 Cb 0.10 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1oxq h THR 142 CO -0.15 0.30 0.23 -0.33 0.37 0.00 0.00 175.52 175.95 1oxq h GLU 143 N 0.22 0.57 -0.67 6.66 4.39 -0.48 0.44 114.58 125.71 1oxq h GLU 143 Ca 0.07 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1oxq h GLU 143 Cb 0.45 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.90 1oxq h GLU 143 CO 0.02 0.45 0.22 1.25 -1.16 0.00 0.00 179.01 179.79 1oxq h HIS 144 N 0.54 0.37 -0.32 4.33 2.76 -0.15 -1.30 115.15 121.38 1oxq h HIS 144 Ca 0.15 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.21 1oxq h HIS 144 Cb 0.04 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1oxq h HIS 144 CO -0.03 0.03 -0.38 0.00 -1.30 0.00 0.00 177.93 176.25 1oxq h ALA 145 N 1.50 0.72 -0.63 5.26 0.00 -0.00 -0.09 119.26 126.03 1oxq h ALA 145 Ca 0.36 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1oxq h ALA 145 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1oxq h ALA 145 CO -0.39 0.66 0.33 0.87 0.00 0.00 0.00 179.25 180.72 1oxq h LYS 146 N 0.62 0.89 0.00 0.00 1.57 0.31 -3.27 116.57 116.69 1oxq h LYS 146 Ca 0.05 -0.11 -0.33 0.00 -1.87 0.00 0.00 60.65 58.39 1oxq h LYS 146 Cb 0.93 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 1oxq h LYS 146 CO 0.09 0.69 -2.23 0.91 -0.57 0.00 0.00 179.45 178.33 1oxq n TRP 147 N -4.53 0.00 -3.14 -1.35 7.02 -0.53 -4.66 117.44 110.25 1oxq n TRP 147 Ca 0.04 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.32 1oxq n TRP 147 Cb 0.10 -0.88 -0.04 0.00 -2.42 0.00 0.00 31.31 28.08 1oxq n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1oxq n PHE 148 N -2.71 1.14 0.30 -5.99 3.72 -0.05 -4.97 117.46 108.90 1oxq n PHE 148 Ca -0.30 -3.85 0.19 0.00 -0.05 0.00 0.00 57.45 53.43 1oxq n PHE 148 Cb 1.06 -0.43 0.96 0.00 -0.94 0.00 0.00 39.48 40.12 1oxq n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oxq h PRO 149 N 3.10 0.00 -0.33 -1.08 0.13 -1.67 -1.96 132.00 130.18 1oxq h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1oxq h PRO 149 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1oxq h PRO 149 CO 0.58 0.03 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1oxq n SER 150 N -3.27 1.86 -4.68 1.44 3.41 -1.26 -4.80 113.62 106.33 1oxq n SER 150 Ca -0.02 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 1oxq n SER 150 Cb 0.17 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1oxq n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oxq h GLN 152 N 8.15 0.00 -0.20 0.00 4.20 -1.91 0.51 115.11 125.87 1oxq h GLN 152 Ca -0.36 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.25 1oxq h GLN 152 Cb 1.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 1oxq h GLN 152 CO 0.92 0.27 -0.28 0.35 -0.67 0.00 0.00 178.83 179.41 1oxq h PHE 153 N 0.00 0.67 -0.45 2.96 3.57 -1.95 0.10 116.94 121.84 1oxq h PHE 153 Ca -0.00 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1oxq h PHE 153 Cb 0.88 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1oxq h PHE 153 CO 0.00 0.93 0.28 1.25 -2.23 0.00 0.00 178.31 178.54 1oxq h LEU 154 N 0.21 0.53 -0.57 0.59 5.85 -1.83 -0.86 115.31 119.24 1oxq h LEU 154 Ca 0.02 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1oxq h LEU 154 Cb 0.86 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1oxq h LEU 154 CO 0.07 0.41 0.23 -0.07 -0.34 0.00 0.00 178.44 178.74 1oxq h LEU 155 N 0.60 0.78 -0.97 2.25 3.38 -0.73 0.22 115.31 120.84 1oxq h LEU 155 Ca 0.16 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1oxq h LEU 155 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1oxq h LEU 155 CO -0.03 0.74 -0.32 0.03 0.09 0.00 0.00 178.44 178.95 1oxq h ARG 156 N 0.78 0.35 0.17 1.13 3.08 -0.71 0.21 114.38 119.39 1oxq h ARG 156 Ca 0.19 -0.14 -0.32 0.00 0.07 0.00 0.00 59.98 59.78 1oxq h ARG 156 Cb 0.20 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1oxq h ARG 156 CO -0.02 0.64 -1.51 0.77 -1.07 0.00 0.00 179.97 178.78 1oxq h SER 157 N 0.31 0.57 0.00 7.04 0.02 -0.63 -3.38 113.55 117.48 1oxq h SER 157 Ca 0.04 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1oxq h SER 157 Cb 0.72 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1oxq h SER 157 CO 0.05 1.57 -0.65 0.29 -1.14 0.00 0.00 176.83 176.96 1oxq n LYS 158 N -3.57 3.15 -0.21 3.45 4.76 0.73 -5.09 118.16 121.40 1oxq n LYS 158 Ca -0.17 -0.02 0.02 0.00 -2.87 0.00 0.00 58.31 55.27 1oxq n LYS 158 Cb 1.06 -1.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.24 1oxq n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oxq n GLY 159 N 1.37 -2.79 0.37 0.72 0.00 0.72 -4.15 105.19 101.44 1oxq n GLY 159 Ca 0.01 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.71 1oxq n GLY 159 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oxq h ARG 160 N -0.14 1.10 -0.06 1.61 3.08 -1.93 -3.05 114.38 114.99 1oxq h ARG 160 Ca -0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1oxq h ARG 160 Cb 0.18 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1oxq h ARG 160 CO 0.01 0.73 0.03 -0.44 -1.07 0.00 0.00 179.97 179.23 1oxq h ASP 161 N 1.13 0.08 -0.23 7.04 5.19 -1.96 0.11 116.42 127.78 1oxq h ASP 161 Ca 0.45 -0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.80 1oxq h ASP 161 Cb 0.24 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 1oxq h ASP 161 CO -0.20 0.17 -0.12 0.15 -3.12 0.00 0.00 179.24 176.13 1oxq h PHE 162 N -0.01 -0.28 -0.22 4.55 3.57 -1.71 0.27 116.94 123.10 1oxq h PHE 162 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1oxq h PHE 162 Cb 0.11 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1oxq h PHE 162 CO -0.04 -0.18 0.04 0.28 -2.23 0.00 0.00 178.31 176.18 1oxq h VAL 163 N -0.09 1.22 -0.64 1.41 2.07 -1.38 -0.98 116.25 117.86 1oxq h VAL 163 Ca 0.13 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.00 1oxq h VAL 163 Cb 0.28 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1oxq h VAL 163 CO -0.29 0.23 0.30 -0.74 0.02 0.00 0.00 177.57 177.08 1oxq h HIS 164 N 0.17 0.53 -0.53 1.57 -0.00 -0.57 0.18 115.15 116.50 1oxq h HIS 164 Ca 0.07 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1oxq h HIS 164 Cb 0.31 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1oxq h HIS 164 CO 0.02 0.19 0.18 1.03 -0.00 0.00 0.00 177.93 179.34 1oxq h SER 165 N 0.52 0.76 -0.48 3.26 0.87 0.04 -2.06 113.55 116.47 1oxq h SER 165 Ca 0.31 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1oxq h SER 165 Cb 0.33 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1oxq h SER 165 CO -0.26 0.75 -0.13 0.58 -0.53 0.00 0.00 176.83 177.24 1oxq h VAL 166 N 0.72 1.27 0.00 2.23 2.07 -0.69 -2.83 116.25 119.01 1oxq h VAL 166 Ca 0.17 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1oxq h VAL 166 Cb 0.26 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1oxq h VAL 166 CO -0.01 0.44 -0.01 1.56 0.02 0.00 0.00 177.57 179.56 1oxq h GLN 167 N 0.77 0.00 0.25 1.57 1.08 -0.32 -3.18 115.11 115.28 1oxq h GLN 167 Ca 0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1oxq h GLN 167 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1oxq h GLN 167 CO 0.05 0.01 -0.12 0.93 -0.95 0.00 0.00 178.83 178.76 1oxq h GLU 168 N 0.00 -0.32 -2.11 1.46 5.08 -1.12 -3.36 114.58 114.22 1oxq h GLU 168 Ca -0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1oxq h GLU 168 Cb 0.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1oxq h GLU 168 CO 0.00 -0.12 -0.00 0.25 -1.00 0.00 0.00 179.01 178.14 1oxq n THR 169 N -4.99 1.27 -1.39 1.13 -2.24 -1.20 -4.80 114.28 102.06 1oxq n THR 169 Ca -0.05 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1oxq n THR 169 Cb 0.17 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1oxq n THR 169 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oxq n HIS 170 N 1.96 -3.83 0.44 4.78 8.25 -1.26 -5.10 115.22 120.46 1oxq n HIS 170 Ca 0.06 2.05 0.05 0.00 -0.26 0.00 0.00 57.72 59.62 1oxq n HIS 170 Cb 0.34 -3.21 0.04 0.00 1.12 0.00 0.00 29.99 28.28 1oxq n HIS 170 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85