#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxq n GLY 72 N 0.00 0.11 3.76 0.00 0.00 -1.26 -5.09 105.19 102.71 1oxq n GLY 72 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1oxq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxq s ALA 73 N -2.22 2.53 -0.03 4.61 0.00 -1.26 -5.03 121.76 120.37 1oxq s ALA 73 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1oxq s ALA 73 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1oxq s ALA 73 CO 0.00 -1.15 -0.21 0.99 0.00 0.00 0.00 175.76 175.39 1oxq s THR 74 N -1.75 1.67 -0.13 0.00 2.01 -1.26 -5.09 115.64 111.09 1oxq s THR 74 Ca 0.75 -0.89 -0.38 0.00 0.31 0.00 0.00 61.69 61.47 1oxq s THR 74 Cb -0.28 -1.40 -0.16 0.00 0.01 0.00 0.00 72.50 70.68 1oxq s THR 74 CO 0.34 0.47 1.62 -0.11 -0.69 0.00 0.00 174.62 176.25 1oxq n LEU 75 N 2.70 2.25 -4.77 4.42 7.94 -1.26 -4.97 117.00 123.31 1oxq n LEU 75 Ca -0.16 1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 55.46 1oxq n LEU 75 Cb 0.53 -1.18 0.01 0.00 0.53 0.00 0.00 43.42 43.30 1oxq n LEU 75 CO 0.24 -0.60 0.83 -0.44 -1.11 0.00 0.00 177.39 176.30 1oxq s SER 76 N 2.47 5.77 0.05 1.96 0.01 -1.26 -4.97 113.70 117.74 1oxq s SER 76 Ca 0.93 2.31 0.23 0.00 1.31 0.00 0.00 55.95 60.73 1oxq s SER 76 Cb -0.99 -2.60 0.11 0.00 0.21 0.00 0.00 66.02 62.75 1oxq s SER 76 CO 0.57 -1.19 1.09 0.54 0.41 0.00 0.00 173.24 174.66 1oxq n ARG 77 N -1.01 0.24 -2.57 12.44 1.74 -1.26 -4.92 116.66 121.32 1oxq n ARG 77 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1oxq n ARG 77 Cb 0.49 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1oxq n ARG 77 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1oxq s GLY 78 N -3.55 2.79 0.54 -0.13 0.00 -1.26 -5.02 107.32 100.69 1oxq s GLY 78 Ca 0.05 0.73 -0.22 0.00 0.00 0.00 0.00 44.72 45.28 1oxq s GLY 78 CO 0.79 1.71 1.34 -4.14 0.00 0.00 0.00 173.10 172.80 1oxq s PRO 79 N 0.26 3.20 0.26 2.90 0.02 -1.26 -4.92 135.00 135.46 1oxq s PRO 79 Ca 0.51 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.70 1oxq s PRO 79 Cb -0.27 -2.28 0.36 0.00 0.02 0.00 0.00 34.50 32.34 1oxq s PRO 79 CO 0.31 -1.13 1.89 0.00 -0.33 0.00 0.00 177.00 177.74 1oxq h ALA 80 N 1.53 1.33 -2.59 -1.55 0.00 -0.54 -3.35 119.26 114.09 1oxq h ALA 80 Ca -0.51 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 1oxq h ALA 80 Cb 1.29 -0.31 -0.39 0.00 0.00 0.00 0.00 17.79 18.38 1oxq h ALA 80 CO 0.58 0.45 -0.86 0.12 0.00 0.00 0.00 179.25 179.54 1oxq s PHE 81 N -6.06 1.72 0.42 0.00 2.19 0.74 -4.99 117.98 112.00 1oxq s PHE 81 Ca -0.13 -2.54 0.13 0.00 0.33 0.00 0.00 56.93 54.73 1oxq s PHE 81 Cb 0.19 -1.41 1.00 0.00 -1.31 0.00 0.00 43.02 41.49 1oxq s PHE 81 CO 0.81 -0.76 1.96 -1.35 1.83 0.00 0.00 175.22 177.72 1oxq h PRO 82 N 5.72 0.44 -0.60 10.12 0.11 -1.80 -0.11 132.00 145.88 1oxq h PRO 82 Ca 0.21 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.43 1oxq h PRO 82 Cb 0.88 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1oxq h PRO 82 CO 0.46 0.29 0.41 0.78 -0.21 0.00 0.00 178.00 179.73 1oxq h GLY 83 N 0.45 0.34 -2.30 -0.55 0.00 -1.95 -1.56 103.07 97.50 1oxq h GLY 83 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1oxq h GLY 83 CO -0.09 0.04 0.00 1.03 0.00 0.00 0.00 176.54 177.52 1oxq n MET 84 N -4.43 2.95 0.19 4.80 2.81 -0.06 -4.25 117.12 119.13 1oxq n MET 84 Ca 0.11 -1.95 0.14 0.00 -1.81 0.00 0.00 57.70 54.19 1oxq n MET 84 Cb 0.52 -1.73 0.64 0.00 -0.71 0.00 0.00 33.22 31.93 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 4.61 0.00 -5.62 3.03 0.00 -1.35 -3.42 103.07 100.32 1oxq h GLY 85 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1oxq h GLY 85 CO 0.18 0.00 -0.24 -0.45 0.00 0.00 0.00 176.54 176.04 1oxq s SER 86 N -4.51 6.59 0.22 0.19 0.15 -1.26 -4.99 113.70 110.08 1oxq s SER 86 Ca 0.01 0.69 -0.08 0.00 0.70 0.00 0.00 55.95 57.27 1oxq s SER 86 Cb 0.09 -2.23 0.24 0.00 -1.71 0.00 0.00 66.02 62.41 1oxq s SER 86 CO 0.36 0.10 1.85 -0.08 1.20 0.00 0.00 173.24 176.67 1oxq h GLU 87 N 6.37 0.89 -0.58 5.44 4.81 -1.88 -1.64 114.58 127.99 1oxq h GLU 87 Ca -0.43 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 1oxq h GLU 87 Cb 1.18 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1oxq h GLU 87 CO 0.73 0.59 0.20 1.49 -0.73 0.00 0.00 179.01 181.28 1oxq h GLU 88 N 0.91 0.85 -0.45 1.92 4.22 -1.94 0.42 114.58 120.51 1oxq h GLU 88 Ca 0.32 -0.15 -0.13 0.00 0.08 0.00 0.00 59.36 59.48 1oxq h GLU 88 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1oxq h GLU 88 CO -0.13 0.73 -0.24 -0.07 -2.18 0.00 0.00 179.01 177.11 1oxq h LEU 89 N 0.84 0.96 -0.54 1.64 3.38 -1.83 0.15 115.31 119.90 1oxq h LEU 89 Ca 0.19 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1oxq h LEU 89 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1oxq h LEU 89 CO -0.01 1.15 0.11 0.03 0.09 0.00 0.00 178.44 179.81 1oxq h ARG 90 N 0.80 0.88 -0.45 1.13 3.08 -0.48 -2.87 114.38 116.48 1oxq h ARG 90 Ca 0.10 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1oxq h ARG 90 Cb 0.80 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1oxq h ARG 90 CO 0.07 0.84 0.26 1.25 -1.07 0.00 0.00 179.97 181.32 1oxq h LEU 91 N 0.78 0.43 -1.97 3.04 6.46 0.19 -1.70 115.31 122.53 1oxq h LEU 91 Ca 0.17 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 58.08 1oxq h LEU 91 Cb 0.37 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1oxq h LEU 91 CO 0.01 0.31 0.38 0.00 -0.62 0.00 0.00 178.44 178.52 1oxq h ALA 92 N 1.20 2.46 0.00 1.25 0.00 -0.76 -0.87 119.26 122.53 1oxq h ALA 92 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1oxq h ALA 92 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oxq h ALA 92 CO -0.08 -0.61 0.00 0.66 0.00 0.00 0.00 179.25 179.22 1oxq h SER 93 N 0.03 0.00 -0.32 0.00 4.64 -1.10 -2.21 113.55 114.59 1oxq h SER 93 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1oxq h SER 93 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1oxq h SER 93 CO -0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.44 1oxq n PHE 94 N -2.73 0.59 -0.19 4.77 3.72 -0.33 -4.36 117.46 118.94 1oxq n PHE 94 Ca 0.00 -0.26 0.21 0.00 -0.05 0.00 0.00 57.45 57.36 1oxq n PHE 94 Cb 0.21 -0.08 0.59 0.00 -0.94 0.00 0.00 39.48 39.27 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 1.97 0.32 -0.31 1.38 -0.00 -1.55 -0.47 116.97 118.32 1oxq h TYR 95 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 58.63 1oxq h TYR 95 Cb 0.65 -0.10 -0.07 0.00 -0.00 0.00 0.00 36.73 37.22 1oxq h TYR 95 CO 0.30 0.09 -0.03 -0.40 -0.00 0.00 0.00 178.16 178.12 1oxq n ASP 96 N -4.43 3.01 -4.69 0.10 5.75 -1.26 -5.02 116.55 110.01 1oxq n ASP 96 Ca 0.17 -3.46 -0.42 0.00 -0.01 0.00 0.00 54.79 51.07 1oxq n ASP 96 Cb 0.74 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1oxq n ASP 96 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1oxq s TRP 97 N -3.08 2.30 0.30 2.11 -0.11 -0.19 -4.91 118.94 115.37 1oxq s TRP 97 Ca 0.43 0.11 -0.30 0.00 1.22 0.00 0.00 56.10 57.57 1oxq s TRP 97 Cb 0.38 -4.12 -0.12 0.00 -1.50 0.00 0.00 33.47 28.11 1oxq s TRP 97 CO 0.03 -4.53 1.46 -2.30 -4.62 0.00 0.00 176.95 166.99 1oxq n PRO 98 N 5.46 2.38 -0.30 5.86 -0.02 -1.26 -4.91 135.00 142.21 1oxq n PRO 98 Ca 0.17 0.84 0.05 0.00 -2.02 0.00 0.00 63.50 62.54 1oxq n PRO 98 Cb 0.38 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.53 1oxq n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1oxq h LEU 99 N 3.81 0.66 -1.56 2.45 4.07 -2.00 -2.86 115.31 119.88 1oxq h LEU 99 Ca -0.47 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.51 1oxq h LEU 99 Cb 1.25 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1oxq h LEU 99 CO 0.72 0.34 -0.20 0.71 -1.08 0.00 0.00 178.44 178.93 1oxq h THR 100 N 0.76 0.67 -3.21 0.22 1.35 -2.01 -3.39 112.91 107.29 1oxq h THR 100 Ca 0.44 -0.84 -0.57 0.00 -0.55 0.00 0.00 66.41 64.88 1oxq h THR 100 Cb 0.49 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 68.39 1oxq h THR 100 CO -0.29 0.19 0.98 0.00 -0.25 0.00 0.00 175.52 176.15 1oxq s ALA 101 N -4.01 3.30 -0.56 6.62 0.00 -1.08 -4.92 121.76 121.10 1oxq s ALA 101 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1oxq s ALA 101 Cb 0.12 -3.81 0.36 0.00 0.00 0.00 0.00 23.12 19.79 1oxq s ALA 101 CO 0.62 -1.89 2.06 0.39 0.00 0.00 0.00 175.76 176.94 1oxq n GLU 102 N 7.45 2.41 -4.13 0.00 -0.58 -1.26 -4.81 120.64 119.72 1oxq n GLU 102 Ca 0.15 -2.74 -0.31 0.00 -0.42 0.00 0.00 57.16 53.84 1oxq n GLU 102 Cb 0.47 -2.08 -0.16 0.00 -0.57 0.00 0.00 31.44 29.10 1oxq n GLU 102 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1oxq s VAL 103 N -3.97 1.68 0.18 2.62 1.01 -1.26 -4.15 120.40 116.51 1oxq s VAL 103 Ca 0.53 -0.71 -0.32 0.00 0.00 0.00 0.00 61.98 61.49 1oxq s VAL 103 Cb 0.42 -1.55 -0.11 0.00 0.00 0.00 0.00 36.38 35.13 1oxq s VAL 103 CO -0.04 0.48 1.68 -2.84 0.00 0.00 0.00 175.10 174.37 1oxq s PRO 104 N 1.35 4.16 0.44 2.72 0.02 -1.26 -4.87 135.00 137.56 1oxq s PRO 104 Ca 0.03 2.51 0.23 0.00 0.02 0.00 0.00 61.00 63.79 1oxq s PRO 104 Cb -0.13 -3.17 1.23 0.00 0.02 0.00 0.00 34.50 32.45 1oxq s PRO 104 CO -0.10 -0.71 1.80 -1.35 -0.33 0.00 0.00 177.00 176.31 1oxq h PRO 105 N 7.01 0.27 -0.76 5.54 0.11 -1.96 -0.79 132.00 141.43 1oxq h PRO 105 Ca -0.43 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1oxq h PRO 105 Cb 1.20 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1oxq h PRO 105 CO 0.94 0.18 0.44 0.93 -0.21 0.00 0.00 178.00 180.28 1oxq h GLU 106 N 0.28 0.76 -0.16 1.05 3.07 -1.95 0.26 114.58 117.88 1oxq h GLU 106 Ca 0.56 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.24 1oxq h GLU 106 Cb 1.63 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1oxq h GLU 106 CO -0.20 0.50 -0.39 -0.07 -1.40 0.00 0.00 179.01 177.45 1oxq h LEU 107 N 0.78 0.63 -0.28 1.33 3.38 -1.52 -2.35 115.31 117.27 1oxq h LEU 107 Ca 0.35 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1oxq h LEU 107 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1oxq h LEU 107 CO -0.20 1.09 0.11 -0.07 0.09 0.00 0.00 178.44 179.45 1oxq h LEU 108 N 0.20 0.13 -0.83 1.67 3.38 -1.16 -1.57 115.31 117.13 1oxq h LEU 108 Ca -0.00 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1oxq h LEU 108 Cb 1.00 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1oxq h LEU 108 CO 0.09 0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.70 1oxq h ALA 109 N 1.17 1.02 -0.22 1.53 0.00 -0.53 -1.48 119.26 120.77 1oxq h ALA 109 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1oxq h ALA 109 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1oxq h ALA 109 CO -0.12 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.55 1oxq h ALA 110 N 1.19 1.28 -0.09 0.00 0.00 -1.19 -1.81 119.26 118.63 1oxq h ALA 110 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oxq h ALA 110 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1oxq h ALA 110 CO 0.03 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1oxq n ALA 111 N -2.48 2.50 -0.16 0.00 0.00 -0.61 -4.86 120.51 114.90 1oxq n ALA 111 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1oxq n ALA 111 Cb 0.34 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.68 0.58 3.85 0.00 0.00 -0.68 -4.89 105.19 104.73 1oxq n GLY 112 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.32 3.67 0.13 1.61 0.08 -0.64 -0.95 117.98 119.56 1oxq s PHE 113 Ca 0.00 0.94 0.08 0.00 0.12 0.00 0.00 56.93 58.07 1oxq s PHE 113 Cb 0.00 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 1oxq s PHE 113 CO 0.00 0.58 -0.19 -0.59 -0.10 0.00 0.00 175.22 174.92 1oxq s PHE 114 N -1.22 1.75 0.11 0.36 -0.71 0.19 -3.74 117.98 114.72 1oxq s PHE 114 Ca 0.28 -0.45 -0.30 0.00 -1.04 0.00 0.00 56.93 55.42 1oxq s PHE 114 Cb -0.16 -0.92 -0.06 0.00 -1.21 0.00 0.00 43.02 40.67 1oxq s PHE 114 CO 0.15 0.25 1.16 -1.58 -1.34 0.00 0.00 175.22 173.86 1oxq s HIS 115 N -1.63 3.49 0.03 3.49 5.65 -1.26 -1.50 115.29 123.56 1oxq s HIS 115 Ca 0.10 1.43 0.09 0.00 0.25 0.00 0.00 55.06 56.93 1oxq s HIS 115 Cb -0.08 -3.36 -0.03 0.00 -1.18 0.00 0.00 32.58 27.93 1oxq s HIS 115 CO 0.05 -1.00 -0.25 0.95 -0.65 0.00 0.00 174.74 173.84 1oxq s THR 116 N 0.49 2.04 0.00 0.89 -4.23 -0.67 -4.91 115.64 109.25 1oxq s THR 116 Ca 0.55 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1oxq s THR 116 Cb -0.29 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1oxq s THR 116 CO 0.32 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 1oxq n GLY 117 N 1.97 -0.94 0.00 3.99 0.00 -1.26 -4.12 105.19 104.83 1oxq n GLY 117 Ca -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1oxq n GLY 117 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oxq n HIS 118 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.98 115.22 118.84 1oxq n HIS 118 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1oxq n HIS 118 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1oxq n HIS 118 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1oxq n GLN 119 N -0.20 2.71 -1.15 -0.41 3.00 -1.26 -4.83 117.38 115.24 1oxq n GLN 119 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1oxq n GLN 119 Cb 0.17 0.00 0.15 0.00 0.00 0.00 0.00 30.24 30.55 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 0.00 3.73 -4.77 1.08 5.75 -1.26 -4.52 116.55 116.57 1oxq n ASP 120 Ca 0.00 -3.78 -0.39 0.00 -0.01 0.00 0.00 54.79 50.61 1oxq n ASP 120 Cb 0.00 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 39.39 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 -3.41 4.47 0.17 0.11 1.02 -1.26 -4.31 119.74 116.53 1oxq s LYS 121 Ca 0.50 1.03 0.06 0.00 0.02 0.00 0.00 55.97 57.57 1oxq s LYS 121 Cb 0.43 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1oxq s LYS 121 CO 0.01 0.45 -0.12 0.14 -0.92 0.00 0.00 175.35 174.91 1oxq s VAL 122 N -0.64 1.39 0.05 3.17 -7.23 0.31 -1.67 120.40 115.77 1oxq s VAL 122 Ca 0.35 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1oxq s VAL 122 Cb -0.21 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1oxq s VAL 122 CO 0.23 -0.68 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.09 1oxq s ARG 123 N -3.67 0.83 0.10 4.82 1.81 -0.56 -1.18 118.95 121.10 1oxq s ARG 123 Ca 0.19 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 53.12 1oxq s ARG 123 Cb 0.01 -0.81 -0.06 0.00 -0.45 0.00 0.00 34.95 33.64 1oxq s ARG 123 CO 0.03 0.19 0.97 0.00 -0.68 0.00 0.00 175.30 175.81 1oxq h PHE 125 N 5.71 0.00 0.00 0.00 -0.00 -1.35 0.14 116.94 121.44 1oxq h PHE 125 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.54 1oxq h PHE 125 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1oxq h PHE 125 CO 0.65 0.13 -0.41 0.35 -0.00 0.00 0.00 178.31 179.03 1oxq h PHE 126 N 0.00 0.00 0.00 6.09 3.04 -1.86 0.22 116.94 124.43 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 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1oxq h PHE 126 CO 0.00 0.06 -0.57 0.00 -2.02 0.00 0.00 178.31 175.78 1oxq n TYR 128 N -1.52 0.00 -1.70 0.00 9.36 0.50 -4.94 117.16 118.87 1oxq n TYR 128 Ca 0.05 0.00 -0.44 0.00 3.32 0.00 0.00 57.90 60.83 1oxq n TYR 128 Cb 0.34 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 1oxq n TYR 128 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oxq n GLY 129 N -0.43 1.10 3.40 2.98 0.00 -1.26 -4.51 105.19 106.46 1oxq n GLY 129 Ca -0.11 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 1oxq n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oxq s GLY 130 N 0.57 1.58 0.02 -0.02 0.00 -1.26 -0.92 107.32 107.29 1oxq s GLY 130 Ca 0.70 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1oxq s GLY 130 CO 0.45 -0.16 -0.05 1.08 0.00 0.00 0.00 173.10 174.43 1oxq s LEU 131 N 0.36 2.18 0.00 0.66 1.43 -0.32 -4.98 118.68 118.02 1oxq s LEU 131 Ca -0.09 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1oxq s LEU 131 Cb -0.16 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.01 1oxq s LEU 131 CO 0.05 -0.18 0.04 0.00 0.23 0.00 0.00 176.35 176.49 1oxq n GLN 132 N 1.93 0.06 -3.58 1.70 10.64 -1.26 -0.53 117.38 126.33 1oxq n GLN 132 Ca -0.20 -0.27 -0.22 0.00 -1.83 0.00 0.00 57.00 54.47 1oxq n GLN 132 Cb 0.56 0.25 0.08 0.00 -0.86 0.00 0.00 30.24 30.26 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 -2.32 -4.81 -4.72 2.61 7.64 -1.26 -4.95 113.62 105.81 1oxq n SER 133 Ca 0.00 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.87 1oxq n SER 133 Cb 0.05 -4.93 -0.03 0.00 -1.01 0.00 0.00 64.21 58.29 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 -3.34 3.08 0.16 1.43 0.52 -1.26 -5.02 118.94 114.50 1oxq s TRP 134 Ca 0.40 0.69 0.09 0.00 0.02 0.00 0.00 56.10 57.31 1oxq s TRP 134 Cb -0.18 -3.89 -0.04 0.00 -1.15 0.00 0.00 33.47 28.20 1oxq s TRP 134 CO 0.74 -3.25 -0.20 0.15 0.02 0.00 0.00 176.95 174.40 1oxq s LYS 135 N 1.02 1.31 0.13 4.98 1.02 -1.26 -4.20 119.74 122.74 1oxq s LYS 135 Ca 0.69 -1.39 -0.35 0.00 0.02 0.00 0.00 55.97 54.93 1oxq s LYS 135 Cb -0.43 -1.49 -0.16 0.00 -0.52 0.00 0.00 37.83 35.23 1oxq s LYS 135 CO 0.32 0.32 1.26 -2.13 -0.92 0.00 0.00 175.35 174.20 1oxq n ARG 136 N 0.44 1.16 -0.13 1.68 0.63 -1.26 -1.42 116.66 117.76 1oxq n ARG 136 Ca -0.14 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1oxq n ARG 136 Cb 0.56 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.48 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 2.29 1.93 3.70 5.14 0.00 -1.26 -5.02 105.19 111.98 1oxq n GLY 137 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1oxq n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oxq s ASP 138 N -3.36 6.58 -0.36 1.61 1.01 -0.51 -4.98 116.67 116.67 1oxq s ASP 138 Ca 0.00 2.57 -0.14 0.00 0.71 0.00 0.00 52.55 55.69 1oxq s ASP 138 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1oxq s ASP 138 CO 0.00 -0.87 0.30 -0.62 0.21 0.00 0.00 175.17 174.19 1oxq s ASP 139 N 1.86 6.12 0.24 0.27 2.15 -1.26 -4.95 116.67 121.09 1oxq s ASP 139 Ca 0.73 -0.43 -0.05 0.00 0.43 0.00 0.00 52.55 53.22 1oxq s ASP 139 Cb -0.42 -2.17 0.43 0.00 -0.30 0.00 0.00 42.92 40.46 1oxq s ASP 139 CO 0.32 -0.32 1.71 -0.65 -0.17 0.00 0.00 175.17 176.06 1oxq h PRO 140 N 8.52 0.34 -0.46 4.34 0.11 -1.93 -0.29 132.00 142.62 1oxq h PRO 140 Ca -0.30 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1oxq h PRO 140 Cb 1.14 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1oxq h PRO 140 CO 0.68 0.23 0.28 -1.49 -0.21 0.00 0.00 178.00 177.48 1oxq h TRP 141 N 0.35 0.61 -0.41 0.65 -0.00 -1.90 0.16 115.95 115.41 1oxq h TRP 141 Ca 0.40 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.30 1oxq h TRP 141 Cb 0.63 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 1oxq h TRP 141 CO -0.21 0.43 0.26 1.15 -0.00 0.00 0.00 178.44 180.07 1oxq h THR 142 N 0.61 1.07 -0.48 1.49 2.02 -1.71 -0.47 112.91 115.44 1oxq h THR 142 Ca 0.17 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1oxq h THR 142 Cb 0.00 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1oxq h THR 142 CO -0.03 0.09 0.26 -0.33 0.37 0.00 0.00 175.52 175.88 1oxq h GLU 143 N 0.52 0.68 -0.28 6.66 4.39 -0.83 0.18 114.58 125.90 1oxq h GLU 143 Ca 0.16 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.84 1oxq h GLU 143 Cb -0.02 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 1oxq h GLU 143 CO -0.06 0.54 -0.15 1.25 -1.16 0.00 0.00 179.01 179.43 1oxq h HIS 144 N 0.64 -0.38 -0.08 4.33 2.76 -0.24 -0.49 115.15 121.68 1oxq h HIS 144 Ca 0.17 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.26 1oxq h HIS 144 Cb 0.07 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1oxq h HIS 144 CO -0.02 -0.23 -0.43 0.00 -1.30 0.00 0.00 177.93 175.95 1oxq h ALA 145 N 1.08 1.12 -0.25 5.26 0.00 -0.64 0.14 119.26 125.96 1oxq h ALA 145 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1oxq h ALA 145 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1oxq h ALA 145 CO -0.36 0.60 0.01 -0.22 0.00 0.00 0.00 179.25 179.28 1oxq h LYS 146 N 0.16 0.44 0.00 0.00 3.64 0.16 -3.31 116.57 117.66 1oxq h LYS 146 Ca 0.01 -0.14 -0.34 0.00 -1.27 0.00 0.00 60.65 58.91 1oxq h LYS 146 Cb 0.84 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 1oxq h LYS 146 CO 0.07 0.60 -2.16 0.91 -2.27 0.00 0.00 179.45 176.59 1oxq n TRP 147 N -4.64 0.33 -3.06 1.91 7.02 -0.27 -4.67 117.44 114.06 1oxq n TRP 147 Ca -0.03 0.12 -0.23 0.00 -1.02 0.00 0.00 57.50 56.33 1oxq n TRP 147 Cb 0.23 -1.06 -0.04 0.00 -2.42 0.00 0.00 31.31 28.03 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 -2.84 2.40 0.31 -5.99 3.72 0.49 -4.95 117.46 110.59 1oxq n PHE 148 Ca -0.28 -3.92 0.20 0.00 -0.05 0.00 0.00 57.45 53.40 1oxq n PHE 148 Cb 1.12 -0.46 0.99 0.00 -0.94 0.00 0.00 39.48 40.19 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 3.06 0.00 -0.10 -1.08 0.13 -1.72 -1.72 132.00 130.58 1oxq h PRO 149 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1oxq h PRO 149 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1oxq h PRO 149 CO 0.68 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.33 1oxq n SER 150 N -3.12 2.29 -4.68 1.44 3.41 -1.26 -4.84 113.62 106.86 1oxq n SER 150 Ca -0.02 -1.77 -0.45 0.00 -0.26 0.00 0.00 58.87 56.37 1oxq n SER 150 Cb 0.17 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 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 9.10 0.00 -0.24 0.00 4.20 -1.91 -0.20 115.11 126.06 1oxq h GLN 152 Ca -0.48 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.17 1oxq h GLN 152 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1oxq h GLN 152 CO 0.94 0.52 -0.06 0.35 -0.67 0.00 0.00 178.83 179.91 1oxq h PHE 153 N 0.00 0.52 -0.17 2.96 3.57 -1.96 -0.03 116.94 121.83 1oxq h PHE 153 Ca -0.01 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.40 1oxq h PHE 153 Cb 0.97 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1oxq h PHE 153 CO 0.00 0.70 0.03 1.25 -2.23 0.00 0.00 178.31 178.06 1oxq h LEU 154 N 0.20 0.01 -0.91 0.59 5.85 -1.84 -0.14 115.31 119.07 1oxq h LEU 154 Ca 0.06 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1oxq h LEU 154 Cb 0.53 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1oxq h LEU 154 CO 0.02 0.03 0.14 -0.07 -0.34 0.00 0.00 178.44 178.23 1oxq h LEU 155 N 0.10 0.89 -0.64 2.25 3.38 -0.95 0.27 115.31 120.61 1oxq h LEU 155 Ca 0.07 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1oxq h LEU 155 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1oxq h LEU 155 CO -0.10 0.87 -0.38 -0.09 0.09 0.00 0.00 178.44 178.83 1oxq h ARG 156 N 0.90 0.65 0.22 1.13 2.43 -0.86 0.31 114.38 119.17 1oxq h ARG 156 Ca 0.19 -0.32 -0.31 0.00 -0.81 0.00 0.00 59.98 58.74 1oxq h ARG 156 Cb 0.33 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1oxq h ARG 156 CO 0.00 0.92 -1.38 0.77 -1.51 0.00 0.00 179.97 178.77 1oxq h SER 157 N 0.54 0.73 0.00 -3.80 0.02 -0.31 -3.39 113.55 107.34 1oxq h SER 157 Ca 0.05 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1oxq h SER 157 Cb 0.89 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1oxq h SER 157 CO 0.08 1.66 -1.24 0.29 -1.14 0.00 0.00 176.83 176.47 1oxq n LYS 158 N -3.80 1.21 0.00 3.45 4.76 0.88 -5.09 118.16 119.57 1oxq n LYS 158 Ca -0.18 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 1oxq n LYS 158 Cb 1.04 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 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 1.66 -1.36 0.30 0.72 0.00 0.10 -4.23 105.19 102.38 1oxq n GLY 159 Ca -0.01 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 0.95 -0.08 1.61 3.08 -1.94 -3.07 114.38 114.92 1oxq h ARG 160 Ca 0.00 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.77 1oxq h ARG 160 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1oxq h ARG 160 CO 0.00 0.95 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.40 1oxq h ASP 161 N 0.87 -0.04 -0.45 7.04 3.32 -1.96 0.17 116.42 125.36 1oxq h ASP 161 Ca 0.16 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1oxq h ASP 161 Cb 0.54 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1oxq h ASP 161 CO 0.03 -0.01 0.16 0.15 -1.72 0.00 0.00 179.24 177.85 1oxq h PHE 162 N 0.02 0.28 -0.15 4.55 3.57 -1.73 0.23 116.94 123.71 1oxq h PHE 162 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1oxq h PHE 162 Cb 0.05 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1oxq h PHE 162 CO -0.12 0.09 -0.02 0.28 -2.23 0.00 0.00 178.31 176.31 1oxq h VAL 163 N 0.33 1.27 -0.73 1.41 2.07 -1.34 -0.32 116.25 118.94 1oxq h VAL 163 Ca 0.22 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1oxq h VAL 163 Cb 0.22 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1oxq h VAL 163 CO -0.22 0.27 0.40 -0.74 0.02 0.00 0.00 177.57 177.30 1oxq h HIS 164 N 0.00 0.72 -0.41 1.57 -0.00 -0.46 0.08 115.15 116.65 1oxq h HIS 164 Ca 0.04 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 1oxq h HIS 164 Cb 0.42 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1oxq h HIS 164 CO 0.04 0.30 0.04 0.77 -0.00 0.00 0.00 177.93 179.09 1oxq h SER 165 N 0.70 0.68 -0.81 3.26 0.02 -0.21 -1.92 113.55 115.26 1oxq h SER 165 Ca 0.35 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1oxq h SER 165 Cb 0.30 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1oxq h SER 165 CO -0.23 0.78 0.39 0.58 -1.14 0.00 0.00 176.83 177.22 1oxq h VAL 166 N 0.54 1.25 -0.70 2.27 2.07 -0.80 -2.07 116.25 118.82 1oxq h VAL 166 Ca 0.12 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1oxq h VAL 166 Cb 0.41 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1oxq h VAL 166 CO 0.01 0.30 0.43 1.56 0.02 0.00 0.00 177.57 179.89 1oxq h GLN 167 N 1.15 0.94 -0.02 1.57 1.08 -0.67 -0.06 115.11 119.09 1oxq h GLN 167 Ca 0.28 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 57.25 1oxq h GLN 167 Cb 0.11 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1oxq h GLN 167 CO -0.04 0.65 -0.68 0.93 -0.95 0.00 0.00 178.83 178.75 1oxq h GLU 168 N 0.95 0.12 0.00 1.46 5.08 -1.20 -3.29 114.58 117.69 1oxq h GLU 168 Ca 0.25 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1oxq h GLU 168 Cb -0.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1oxq h GLU 168 CO -0.05 0.75 -1.00 0.25 -1.00 0.00 0.00 179.01 177.96 1oxq n THR 169 N -3.78 0.55 -2.73 1.13 -2.24 -0.79 -4.28 114.28 102.13 1oxq n THR 169 Ca -0.02 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.96 1oxq n THR 169 Cb 0.67 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.56 3.66 0.00 4.78 8.25 -0.05 -5.08 115.22 124.21 1oxq n HIS 170 Ca 0.00 -3.48 0.00 0.00 -0.26 0.00 0.00 57.72 53.98 1oxq n HIS 170 Cb 0.53 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1oxq n HIS 170 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41