#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxn s PRO 79 N 0.00 3.27 0.42 1.61 0.02 -1.26 -4.91 135.00 134.15 1oxn s PRO 79 Ca 0.00 2.04 0.08 0.00 0.02 0.00 0.00 61.00 63.14 1oxn s PRO 79 Cb 0.00 -2.24 0.89 0.00 0.02 0.00 0.00 34.50 33.17 1oxn s PRO 79 CO 0.00 -1.02 2.05 0.00 -0.33 0.00 0.00 177.00 177.70 1oxn h ALA 80 N 1.52 1.71 -2.35 -1.55 0.00 -0.41 -3.36 119.26 114.82 1oxn h ALA 80 Ca -0.50 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.78 1oxn h ALA 80 Cb 1.29 -0.14 -0.38 0.00 0.00 0.00 0.00 17.79 18.56 1oxn h ALA 80 CO 0.58 0.25 -0.96 0.12 0.00 0.00 0.00 179.25 179.23 1oxn s PHE 81 N -5.37 1.01 0.48 0.00 5.36 -0.10 -4.98 117.98 114.38 1oxn s PHE 81 Ca -0.08 -2.25 0.19 0.00 -0.96 0.00 0.00 56.93 53.83 1oxn s PHE 81 Cb 0.17 -0.89 1.21 0.00 -0.34 0.00 0.00 43.02 43.17 1oxn s PHE 81 CO 0.73 -0.84 1.98 -1.35 -1.46 0.00 0.00 175.22 174.28 1oxn h PRO 82 N 5.71 0.21 0.00 10.12 0.11 -1.80 -1.90 132.00 144.46 1oxn h PRO 82 Ca 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1oxn h PRO 82 Cb 0.92 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1oxn h PRO 82 CO 0.36 0.14 0.00 0.78 -0.21 0.00 0.00 178.00 179.06 1oxn h GLY 83 N 0.21 0.00 -2.43 -0.55 0.00 -1.94 -0.21 103.07 98.16 1oxn h GLY 83 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 1oxn h GLY 83 CO -0.05 0.00 0.08 1.03 0.00 0.00 0.00 176.54 177.60 1oxn n MET 84 N -2.46 2.94 0.28 4.80 2.81 -0.71 -4.56 117.12 120.21 1oxn n MET 84 Ca -0.01 -3.01 0.17 0.00 -1.81 0.00 0.00 57.70 53.04 1oxn n MET 84 Cb 0.11 -1.97 0.70 0.00 -0.71 0.00 0.00 33.22 31.35 1oxn n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1oxn h GLY 85 N 1.90 0.00 -5.43 3.03 0.00 -1.15 -3.43 103.07 98.00 1oxn h GLY 85 Ca 0.15 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.89 1oxn h GLY 85 CO 0.45 0.00 0.65 -0.45 0.00 0.00 0.00 176.54 177.19 1oxn s SER 86 N -5.68 6.97 0.26 0.19 0.15 -1.26 -4.93 113.70 109.39 1oxn s SER 86 Ca 0.01 1.20 -0.03 0.00 0.70 0.00 0.00 55.95 57.83 1oxn s SER 86 Cb 0.09 -2.49 0.38 0.00 -1.71 0.00 0.00 66.02 62.29 1oxn s SER 86 CO 0.54 -0.61 1.88 -0.08 1.20 0.00 0.00 173.24 176.17 1oxn h GLU 87 N 7.58 1.11 -0.19 5.44 4.81 -1.89 -0.11 114.58 131.33 1oxn h GLU 87 Ca -0.21 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1oxn h GLU 87 Cb 1.07 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1oxn h GLU 87 CO 0.93 0.73 -0.05 1.49 -0.73 0.00 0.00 179.01 181.39 1oxn h GLU 88 N 1.14 0.00 -0.76 1.92 4.81 -1.94 0.15 114.58 119.89 1oxn h GLU 88 Ca 0.42 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.60 1oxn h GLU 88 Cb 0.15 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1oxn h GLU 88 CO -0.17 0.00 0.29 1.25 -0.73 0.00 0.00 179.01 179.65 1oxn h LEU 89 N 0.00 1.07 -0.98 1.64 6.46 -1.80 0.31 115.31 122.01 1oxn h LEU 89 Ca 0.09 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 1oxn h LEU 89 Cb 0.14 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 1oxn h LEU 89 CO -0.19 0.96 0.22 0.03 -0.62 0.00 0.00 178.44 178.84 1oxn h ARG 90 N 1.11 0.96 -0.48 1.25 3.08 -0.45 -1.94 114.38 117.92 1oxn h ARG 90 Ca 0.25 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1oxn h ARG 90 Cb 0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1oxn h ARG 90 CO -0.02 0.81 0.07 1.25 -1.07 0.00 0.00 179.97 181.01 1oxn h LEU 91 N 0.94 0.77 -1.74 3.04 6.46 -0.10 -2.72 115.31 121.95 1oxn h LEU 91 Ca 0.21 -0.26 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1oxn h LEU 91 Cb 0.23 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1oxn h LEU 91 CO -0.01 0.84 0.29 0.00 -0.62 0.00 0.00 178.44 178.93 1oxn h ALA 92 N 0.96 1.99 0.00 1.25 0.00 -0.45 -0.57 119.26 122.44 1oxn h ALA 92 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1oxn h ALA 92 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1oxn h ALA 92 CO 0.01 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.85 1oxn h SER 93 N 0.32 0.00 -0.40 0.00 4.64 -1.03 -2.29 113.55 114.79 1oxn h SER 93 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1oxn h SER 93 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1oxn h SER 93 CO -0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.41 1oxn n PHE 94 N -2.37 0.89 0.13 4.77 3.72 -0.22 -4.40 117.46 119.98 1oxn n PHE 94 Ca -0.00 -0.36 0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1oxn n PHE 94 Cb 0.12 -0.16 0.76 0.00 -0.94 0.00 0.00 39.48 39.27 1oxn n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1oxn h TYR 95 N 2.51 0.00 -0.12 1.38 -0.00 -1.58 -0.29 116.97 118.87 1oxn h TYR 95 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 1oxn h TYR 95 Cb 0.95 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.65 1oxn h TYR 95 CO 0.46 0.00 -0.22 -0.25 -0.00 0.00 0.00 178.16 178.15 1oxn n ASP 96 N -3.98 2.28 -4.69 0.10 8.00 -1.26 -5.04 116.55 111.96 1oxn n ASP 96 Ca 0.05 -3.59 -0.44 0.00 0.71 0.00 0.00 54.79 51.51 1oxn n ASP 96 Cb 0.45 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 1oxn n ASP 96 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1oxn n TRP 97 N -1.13 2.49 -2.01 1.24 -0.00 -0.12 -4.91 117.44 113.00 1oxn n TRP 97 Ca 0.22 0.07 -0.42 0.00 -0.00 0.00 0.00 57.50 57.38 1oxn n TRP 97 Cb 0.79 -2.64 -0.03 0.00 -0.00 0.00 0.00 31.31 29.44 1oxn n TRP 97 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1oxn s PRO 98 N 1.79 4.26 0.52 5.87 0.04 -1.26 -4.89 135.00 141.32 1oxn s PRO 98 Ca 0.80 2.30 0.20 0.00 0.04 0.00 0.00 61.00 64.34 1oxn s PRO 98 Cb -0.59 -3.13 1.35 0.00 0.04 0.00 0.00 34.50 32.17 1oxn s PRO 98 CO 0.38 -0.46 2.13 -0.07 0.04 0.00 0.00 177.00 179.01 1oxn h LEU 99 N 5.56 0.00 -1.77 -3.56 -0.00 -2.00 -2.31 115.31 111.23 1oxn h LEU 99 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1oxn h LEU 99 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1oxn h LEU 99 CO 0.81 0.06 0.00 0.71 -0.00 0.00 0.00 178.44 180.03 1oxn h THR 100 N 0.00 0.00 -0.55 0.22 1.35 -2.00 -3.09 112.91 108.85 1oxn h THR 100 Ca -0.00 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.53 1oxn h THR 100 Cb 0.12 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 1oxn h THR 100 CO 0.01 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 175.47 1oxn h ALA 101 N 2.04 0.71 -1.56 6.62 0.00 -1.69 -3.47 119.26 121.91 1oxn h ALA 101 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 1oxn h ALA 101 Cb 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1oxn h ALA 101 CO 0.00 0.35 -0.35 0.39 0.00 0.00 0.00 179.25 179.65 1oxn n GLU 102 N -4.48 -1.15 -4.81 0.00 1.02 -1.17 -3.62 120.64 106.43 1oxn n GLU 102 Ca 0.02 0.87 -0.32 0.00 -0.02 0.00 0.00 57.16 57.72 1oxn n GLU 102 Cb 0.18 -5.13 -0.17 0.00 -0.02 0.00 0.00 31.44 26.31 1oxn n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1oxn s VAL 103 N -2.68 1.96 0.10 2.62 1.01 -1.26 -4.07 120.40 118.08 1oxn s VAL 103 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 1oxn s VAL 103 Cb 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 1oxn s VAL 103 CO 0.00 0.53 1.89 -2.84 0.00 0.00 0.00 175.10 174.68 1oxn s PRO 104 N 0.68 4.13 0.27 2.72 0.02 -1.26 -4.90 135.00 136.67 1oxn s PRO 104 Ca -0.11 2.63 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1oxn s PRO 104 Cb -0.16 -3.76 0.62 0.00 0.02 0.00 0.00 34.50 31.22 1oxn s PRO 104 CO 0.02 -0.88 1.72 -1.35 -0.33 0.00 0.00 177.00 176.17 1oxn h PRO 105 N 9.20 0.46 -0.96 5.54 0.11 -1.98 -1.69 132.00 142.68 1oxn h PRO 105 Ca -0.47 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1oxn h PRO 105 Cb 1.22 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1oxn h PRO 105 CO 0.95 0.30 0.60 0.93 -0.21 0.00 0.00 178.00 180.58 1oxn h GLU 106 N 0.47 1.02 -0.33 1.05 5.08 -1.94 0.26 114.58 120.19 1oxn h GLU 106 Ca 0.50 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.67 1oxn h GLU 106 Cb 0.86 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1oxn h GLU 106 CO -0.46 0.68 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.86 1oxn h LEU 107 N 1.05 0.84 -0.42 1.33 4.07 -1.78 -1.78 115.31 118.63 1oxn h LEU 107 Ca 0.43 -0.46 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1oxn h LEU 107 Cb 0.27 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 1oxn h LEU 107 CO -0.20 1.12 0.16 -0.07 -1.08 0.00 0.00 178.44 178.37 1oxn h LEU 108 N 0.57 0.58 -0.37 1.67 3.38 -0.42 -1.46 115.31 119.26 1oxn h LEU 108 Ca 0.06 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1oxn h LEU 108 Cb 0.87 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1oxn h LEU 108 CO 0.08 0.60 -0.13 0.00 0.09 0.00 0.00 178.44 179.07 1oxn h ALA 109 N 1.00 0.51 -0.60 1.53 0.00 -0.52 -0.18 119.26 121.00 1oxn h ALA 109 Ca 0.14 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1oxn h ALA 109 Cb 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1oxn h ALA 109 CO -0.01 0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.04 1oxn h ALA 110 N 0.81 1.82 -0.11 0.00 0.00 -1.26 -1.80 119.26 118.72 1oxn h ALA 110 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1oxn h ALA 110 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1oxn h ALA 110 CO 0.04 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1oxn n ALA 111 N -2.48 2.49 -0.01 0.00 0.00 -0.56 -4.85 120.51 115.10 1oxn n ALA 111 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1oxn n ALA 111 Cb 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1oxn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oxn n GLY 112 N 0.70 0.46 3.83 0.00 0.00 -0.68 -4.87 105.19 104.63 1oxn n GLY 112 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1oxn n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oxn s PHE 113 N -2.03 3.68 0.25 1.61 0.08 -0.12 -1.06 117.98 120.39 1oxn s PHE 113 Ca 0.00 0.87 0.11 0.00 0.12 0.00 0.00 56.93 58.03 1oxn s PHE 113 Cb 0.00 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 1oxn s PHE 113 CO 0.00 0.62 -0.14 -0.59 -0.10 0.00 0.00 175.22 175.01 1oxn s PHE 114 N -0.89 2.45 -0.03 0.36 -0.12 0.33 -3.48 117.98 116.60 1oxn s PHE 114 Ca 0.22 -0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 56.51 1oxn s PHE 114 Cb -0.15 -1.11 -0.03 0.00 -0.63 0.00 0.00 43.02 41.10 1oxn s PHE 114 CO 0.11 0.63 0.97 -1.58 -0.05 0.00 0.00 175.22 175.30 1oxn s HIS 115 N -2.22 3.62 0.16 3.49 5.65 -1.26 -0.60 115.29 124.14 1oxn s HIS 115 Ca 0.28 1.65 0.23 0.00 0.25 0.00 0.00 55.06 57.47 1oxn s HIS 115 Cb -0.06 -3.12 0.92 0.00 -1.18 0.00 0.00 32.58 29.14 1oxn s HIS 115 CO 0.16 -0.05 1.83 1.79 -0.65 0.00 0.00 174.74 177.81 1oxn h THR 116 N 4.87 0.61 0.00 0.89 1.35 -1.38 -3.47 112.91 115.78 1oxn h THR 116 Ca -0.39 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1oxn h THR 116 Cb 1.20 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1oxn h THR 116 CO 0.77 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1oxn n GLY 117 N 0.09 2.75 3.61 5.82 0.00 -1.26 -5.04 105.19 111.16 1oxn n GLY 117 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1oxn n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oxn s HIS 118 N -2.67 3.25 0.00 1.61 3.76 -1.26 -4.94 115.29 115.03 1oxn s HIS 118 Ca 0.00 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1oxn s HIS 118 Cb 0.00 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.80 1oxn s HIS 118 CO 0.00 -0.38 0.00 1.04 -0.85 0.00 0.00 174.74 174.55 1oxn n GLN 119 N 5.76 0.00 -0.78 1.40 3.00 -1.26 -1.63 117.38 123.88 1oxn n GLN 119 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.95 1oxn n GLN 119 Cb 0.49 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.93 1oxn n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1oxn n ASP 120 N 3.75 2.52 -4.69 1.08 5.75 -1.26 -4.61 116.55 119.10 1oxn n ASP 120 Ca 0.00 -3.74 -0.42 0.00 -0.01 0.00 0.00 54.79 50.62 1oxn n ASP 120 Cb 0.00 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.44 1oxn n ASP 120 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1oxn s LYS 121 N -3.22 4.37 0.35 0.11 2.20 -0.64 -4.40 119.74 118.51 1oxn s LYS 121 Ca 0.44 1.57 0.09 0.00 -0.36 0.00 0.00 55.97 57.71 1oxn s LYS 121 Cb 0.40 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 33.09 1oxn s LYS 121 CO -0.00 -0.41 -0.08 0.14 -0.36 0.00 0.00 175.35 174.64 1oxn s VAL 122 N 2.21 2.17 -0.08 4.02 -7.23 0.12 -0.94 120.40 120.66 1oxn s VAL 122 Ca 0.53 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 58.46 1oxn s VAL 122 Cb -0.22 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.05 1oxn s VAL 122 CO 0.20 -0.17 0.21 -0.60 -0.31 0.00 0.00 175.10 174.43 1oxn s ARG 123 N -3.63 0.23 0.06 4.82 3.52 0.23 -0.82 118.95 123.36 1oxn s ARG 123 Ca 0.33 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.96 1oxn s ARG 123 Cb 0.04 0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.44 1oxn s ARG 123 CO 0.17 -0.06 1.14 0.00 -0.81 0.00 0.00 175.30 175.73 1oxn h PHE 125 N 6.60 0.00 0.00 0.00 -0.00 -1.39 0.41 116.94 122.55 1oxn h PHE 125 Ca -0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.46 1oxn h PHE 125 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 1oxn h PHE 125 CO 0.67 0.13 -0.65 0.35 -0.00 0.00 0.00 178.31 178.81 1oxn h PHE 126 N 0.00 0.00 -0.00 6.09 3.04 -1.85 -0.21 116.94 124.00 1oxn h PHE 126 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1oxn h PHE 126 Cb 0.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1oxn h PHE 126 CO 0.00 0.71 -0.76 0.00 -2.02 0.00 0.00 178.31 176.24 1oxn n TYR 128 N -1.36 0.00 -2.01 0.00 9.36 0.13 -4.94 117.16 118.34 1oxn n TYR 128 Ca 0.05 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.85 1oxn n TYR 128 Cb 0.34 -1.88 -0.03 0.00 -0.63 0.00 0.00 39.34 37.14 1oxn n TYR 128 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1oxn s GLY 129 N -2.30 1.80 -0.12 2.98 0.00 -1.26 -4.64 107.32 103.79 1oxn s GLY 129 Ca 0.00 1.30 -0.06 0.00 0.00 0.00 0.00 44.72 45.96 1oxn s GLY 129 CO 0.00 2.49 0.09 -0.32 0.00 0.00 0.00 173.10 175.37 1oxn s GLY 130 N 0.98 2.05 0.01 0.20 0.00 -1.26 -0.87 107.32 108.43 1oxn s GLY 130 Ca 0.67 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1oxn s GLY 130 CO 0.33 -0.38 -0.03 1.08 0.00 0.00 0.00 173.10 174.10 1oxn s LEU 131 N -0.83 2.09 0.00 0.66 1.43 -0.00 -4.98 118.68 117.04 1oxn s LEU 131 Ca 0.13 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1oxn s LEU 131 Cb -0.12 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.05 1oxn s LEU 131 CO 0.03 -0.08 0.46 0.00 0.23 0.00 0.00 176.35 176.99 1oxn n GLN 132 N 2.51 0.67 -3.42 1.70 10.64 -1.26 0.13 117.38 128.34 1oxn n GLN 132 Ca -0.16 -2.96 -0.17 0.00 -1.83 0.00 0.00 57.00 51.87 1oxn n GLN 132 Cb 0.58 2.77 0.09 0.00 -0.86 0.00 0.00 30.24 32.81 1oxn n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1oxn n SER 133 N -1.62 -2.47 -4.75 2.61 7.64 -1.26 -4.96 113.62 108.80 1oxn n SER 133 Ca 0.02 -0.64 -0.40 0.00 1.01 0.00 0.00 58.87 58.86 1oxn n SER 133 Cb 0.60 -5.10 -0.04 0.00 -1.01 0.00 0.00 64.21 58.66 1oxn n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1oxn s TRP 134 N -3.37 3.60 0.09 1.43 0.52 -1.26 -5.05 118.94 114.90 1oxn s TRP 134 Ca 0.05 1.68 0.08 0.00 0.02 0.00 0.00 56.10 57.92 1oxn s TRP 134 Cb -0.01 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.01 1oxn s TRP 134 CO 0.73 -0.52 -0.20 0.15 0.02 0.00 0.00 176.95 177.13 1oxn s LYS 135 N -1.15 1.10 0.05 4.98 1.02 -1.25 -4.71 119.74 119.77 1oxn s LYS 135 Ca 0.46 -1.11 -0.38 0.00 0.02 0.00 0.00 55.97 54.96 1oxn s LYS 135 Cb -0.31 -1.32 -0.18 0.00 -0.52 0.00 0.00 37.83 35.51 1oxn s LYS 135 CO 0.39 0.31 1.29 -2.13 -0.92 0.00 0.00 175.35 174.29 1oxn n ARG 136 N 1.19 0.85 0.00 1.68 0.63 -1.24 -0.91 116.66 118.86 1oxn n ARG 136 Ca -0.19 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1oxn n ARG 136 Cb 0.54 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1oxn n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oxn n GLY 137 N 2.34 2.20 3.72 5.14 0.00 -1.26 -5.04 105.19 112.28 1oxn n GLY 137 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1oxn n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oxn n ASP 138 N 0.00 3.96 -4.50 1.61 8.00 -0.09 -4.96 116.55 120.56 1oxn n ASP 138 Ca 0.00 1.07 -0.41 0.00 0.71 0.00 0.00 54.79 56.15 1oxn n ASP 138 Cb 0.00 -1.57 -0.10 0.00 -0.02 0.00 0.00 41.12 39.43 1oxn n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oxn s ASP 139 N 1.11 6.09 0.22 -2.24 2.15 -1.26 -4.95 116.67 117.78 1oxn s ASP 139 Ca 0.74 -0.59 -0.11 0.00 0.43 0.00 0.00 52.55 53.03 1oxn s ASP 139 Cb -0.51 -2.15 0.31 0.00 -0.30 0.00 0.00 42.92 40.27 1oxn s ASP 139 CO 0.34 -0.32 1.65 -0.65 -0.17 0.00 0.00 175.17 176.01 1oxn h PRO 140 N 8.54 0.07 -0.49 4.34 0.11 -1.93 0.15 132.00 142.80 1oxn h PRO 140 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1oxn h PRO 140 Cb 1.14 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1oxn h PRO 140 CO 0.67 0.05 0.32 -1.49 -0.21 0.00 0.00 178.00 177.34 1oxn h TRP 141 N 0.08 0.62 -0.30 0.65 -0.00 -1.89 0.31 115.95 115.42 1oxn h TRP 141 Ca 0.33 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.23 1oxn h TRP 141 Cb 0.55 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 1oxn h TRP 141 CO -0.42 0.40 0.15 1.15 -0.00 0.00 0.00 178.44 179.71 1oxn h THR 142 N 0.66 1.15 -0.72 1.49 2.02 -1.72 0.16 112.91 115.96 1oxn h THR 142 Ca 0.18 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1oxn h THR 142 Cb -0.07 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1oxn h THR 142 CO -0.04 0.15 0.48 -0.33 0.37 0.00 0.00 175.52 176.15 1oxn h GLU 143 N 0.35 0.94 -0.65 6.66 4.39 -0.52 0.36 114.58 126.11 1oxn h GLU 143 Ca 0.10 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1oxn h GLU 143 Cb 0.11 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 1oxn h GLU 143 CO -0.01 0.62 0.35 1.25 -1.16 0.00 0.00 179.01 180.06 1oxn h HIS 144 N 0.97 0.64 -0.24 4.33 2.76 0.15 -1.43 115.15 122.33 1oxn h HIS 144 Ca 0.26 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.30 1oxn h HIS 144 Cb -0.11 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1oxn h HIS 144 CO -0.02 0.30 -0.49 0.00 -1.30 0.00 0.00 177.93 176.42 1oxn h ALA 145 N 1.34 0.68 -0.11 5.26 0.00 0.10 0.58 119.26 127.12 1oxn h ALA 145 Ca 0.29 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1oxn h ALA 145 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1oxn h ALA 145 CO -0.19 0.68 0.07 0.87 0.00 0.00 0.00 179.25 180.68 1oxn h LYS 146 N 0.52 0.14 0.03 0.00 1.57 0.07 -3.22 116.57 115.68 1oxn h LYS 146 Ca 0.02 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.43 1oxn h LYS 146 Cb 1.04 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 1oxn h LYS 146 CO 0.10 0.09 -2.22 0.91 -0.57 0.00 0.00 179.45 177.77 1oxn n TRP 147 N -5.02 0.44 -3.09 -1.35 7.02 -0.57 -4.59 117.44 110.28 1oxn n TRP 147 Ca -0.05 0.12 -0.22 0.00 -1.02 0.00 0.00 57.50 56.33 1oxn n TRP 147 Cb 0.03 -1.07 -0.04 0.00 -2.42 0.00 0.00 31.31 27.82 1oxn n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1oxn n PHE 148 N -3.12 1.86 0.31 -5.99 3.72 0.19 -4.95 117.46 109.49 1oxn n PHE 148 Ca -0.34 -3.90 0.19 0.00 -0.05 0.00 0.00 57.45 53.36 1oxn n PHE 148 Cb 1.06 -0.45 1.04 0.00 -0.94 0.00 0.00 39.48 40.20 1oxn n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oxn h PRO 149 N 3.04 0.00 -0.13 -1.08 0.13 -1.65 -1.02 132.00 131.29 1oxn h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1oxn h PRO 149 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1oxn h PRO 149 CO 0.64 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1oxn n SER 150 N -3.32 1.73 -4.68 1.44 3.41 -1.26 -4.79 113.62 106.14 1oxn n SER 150 Ca -0.02 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.50 1oxn n SER 150 Cb 0.12 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1oxn n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oxn h GLN 152 N 8.93 0.00 -0.38 0.00 4.20 -1.90 -0.04 115.11 125.93 1oxn h GLN 152 Ca -0.44 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.22 1oxn h GLN 152 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1oxn h GLN 152 CO 0.94 0.64 0.05 0.35 -0.67 0.00 0.00 178.83 180.13 1oxn h PHE 153 N 0.00 0.68 -0.58 2.96 3.57 -1.95 0.17 116.94 121.79 1oxn h PHE 153 Ca -0.01 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1oxn h PHE 153 Cb 1.19 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1oxn h PHE 153 CO 0.00 0.69 0.38 1.25 -2.23 0.00 0.00 178.31 178.40 1oxn h LEU 154 N 0.48 0.64 -0.54 0.59 5.85 -1.84 -0.52 115.31 119.97 1oxn h LEU 154 Ca 0.11 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1oxn h LEU 154 Cb 0.39 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1oxn h LEU 154 CO 0.01 0.46 0.06 -0.07 -0.34 0.00 0.00 178.44 178.56 1oxn h LEU 155 N 0.76 0.89 -0.70 2.25 3.38 -0.63 0.24 115.31 121.50 1oxn h LEU 155 Ca 0.22 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1oxn h LEU 155 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1oxn h LEU 155 CO -0.06 0.95 -0.16 0.03 0.09 0.00 0.00 178.44 179.28 1oxn h ARG 156 N 0.81 0.83 0.19 1.13 3.08 -0.56 0.25 114.38 120.10 1oxn h ARG 156 Ca 0.16 -0.31 -0.31 0.00 0.07 0.00 0.00 59.98 59.59 1oxn h ARG 156 Cb 0.45 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.49 1oxn h ARG 156 CO 0.02 0.93 -1.33 0.77 -1.07 0.00 0.00 179.97 179.29 1oxn h SER 157 N 0.73 0.84 0.00 7.04 0.02 -0.69 -3.37 113.55 118.12 1oxn h SER 157 Ca 0.11 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1oxn h SER 157 Cb 0.68 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1oxn h SER 157 CO 0.05 1.65 -1.04 0.29 -1.14 0.00 0.00 176.83 176.64 1oxn n LYS 158 N -3.79 1.80 0.00 3.45 4.76 0.82 -5.08 118.16 120.12 1oxn n LYS 158 Ca -0.15 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1oxn n LYS 158 Cb 1.03 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 1oxn n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oxn n GLY 159 N 1.54 -1.94 0.33 0.72 0.00 0.88 -4.23 105.19 102.50 1oxn n GLY 159 Ca 0.00 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.63 1oxn n GLY 159 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oxn h ARG 160 N 0.00 0.80 -0.12 1.61 3.08 -1.92 -2.97 114.38 114.86 1oxn h ARG 160 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1oxn h ARG 160 Cb 0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1oxn h ARG 160 CO 0.00 0.53 0.03 -0.44 -1.07 0.00 0.00 179.97 179.02 1oxn h ASP 161 N 0.82 0.17 -0.40 7.04 3.32 -1.96 0.20 116.42 125.62 1oxn h ASP 161 Ca 0.46 -0.21 0.08 0.00 0.02 0.00 0.00 57.03 57.37 1oxn h ASP 161 Cb 0.50 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 1oxn h ASP 161 CO -0.28 0.34 -0.13 0.15 -1.72 0.00 0.00 179.24 177.59 1oxn h PHE 162 N -0.00 -0.31 -0.15 4.55 3.57 -1.72 0.36 116.94 123.24 1oxn h PHE 162 Ca 0.04 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1oxn h PHE 162 Cb 0.23 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1oxn h PHE 162 CO 0.00 -0.21 -0.02 0.28 -2.23 0.00 0.00 178.31 176.13 1oxn h VAL 163 N -0.04 1.27 -0.43 1.41 2.07 -1.30 -0.57 116.25 118.64 1oxn h VAL 163 Ca 0.20 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.89 1oxn h VAL 163 Cb 0.34 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1oxn h VAL 163 CO -0.44 0.27 -0.01 -0.74 0.02 0.00 0.00 177.57 176.67 1oxn h HIS 164 N -0.00 -0.05 -0.36 1.57 -0.00 -0.33 0.15 115.15 116.12 1oxn h HIS 164 Ca 0.04 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1oxn h HIS 164 Cb 0.42 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 1oxn h HIS 164 CO 0.04 -0.10 0.18 1.03 -0.00 0.00 0.00 177.93 179.08 1oxn h SER 165 N 0.10 0.26 -0.55 3.26 0.87 0.06 -0.67 113.55 116.88 1oxn h SER 165 Ca 0.22 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1oxn h SER 165 Cb 0.32 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1oxn h SER 165 CO -0.37 0.19 0.01 0.58 -0.53 0.00 0.00 176.83 176.71 1oxn h VAL 166 N 0.37 1.26 0.00 2.23 2.07 -0.74 -2.62 116.25 118.82 1oxn h VAL 166 Ca 0.15 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1oxn h VAL 166 Cb 0.06 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1oxn h VAL 166 CO -0.11 0.40 -0.03 1.56 0.02 0.00 0.00 177.57 179.40 1oxn h GLN 167 N 0.85 0.00 0.08 1.57 1.08 -0.15 -3.14 115.11 115.41 1oxn h GLN 167 Ca 0.16 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1oxn h GLN 167 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1oxn h GLN 167 CO 0.03 0.03 -0.04 1.49 -0.95 0.00 0.00 178.83 179.39 1oxn h GLU 168 N 0.00 -0.11 -1.26 1.46 4.81 -0.75 -3.20 114.58 115.53 1oxn h GLU 168 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1oxn h GLU 168 Cb 0.26 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1oxn h GLU 168 CO 0.00 0.44 0.00 0.25 -0.73 0.00 0.00 179.01 178.97 1oxn n THR 169 N -4.84 0.69 -1.25 0.32 -2.24 -1.19 -4.90 114.28 100.87 1oxn n THR 169 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1oxn n THR 169 Cb 0.29 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1oxn n THR 169 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oxn n HIS 170 N 0.62 -3.43 1.82 4.78 8.25 -1.21 -5.09 115.22 120.96 1oxn n HIS 170 Ca 0.00 1.84 0.15 0.00 -0.26 0.00 0.00 57.72 59.46 1oxn n HIS 170 Cb 0.35 -2.97 0.80 0.00 1.12 0.00 0.00 29.99 29.29 1oxn n HIS 170 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85