#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obx n THR 11 N 0.00 1.09 -4.07 6.31 -1.04 -1.26 -4.99 114.28 110.31 2obx n THR 11 Ca 0.00 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.05 61.39 2obx n THR 11 Cb 0.00 -1.91 -0.14 0.00 -1.82 0.00 0.00 70.33 66.45 2obx n THR 11 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2obx s VAL 12 N -0.09 3.15 0.17 12.58 1.01 -0.95 -5.00 120.40 131.27 2obx s VAL 12 Ca 0.64 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2obx s VAL 12 Cb -0.51 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2obx s VAL 12 CO 0.50 0.46 0.45 -0.13 0.00 0.00 0.00 175.10 176.38 2obx s ARG 13 N 1.26 3.72 -0.05 2.72 0.52 -1.26 -1.51 118.95 124.35 2obx s ARG 13 Ca 0.03 0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2obx s ARG 13 Cb -0.14 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.54 2obx s ARG 13 CO -0.03 0.42 -0.15 0.42 0.02 0.00 0.00 175.30 175.98 2obx s ILE 14 N -1.68 1.29 -0.14 1.52 1.09 0.02 -0.75 121.20 122.55 2obx s ILE 14 Ca 0.42 -0.61 -0.07 0.00 -1.10 0.00 0.00 60.65 59.29 2obx s ILE 14 Cb -0.12 -1.13 -0.04 0.00 -1.06 0.00 0.00 42.46 40.11 2obx s ILE 14 CO 0.22 0.38 0.12 0.00 -0.10 0.00 0.00 174.94 175.56 2obx s ALA 15 N 0.29 3.74 -0.27 9.38 0.00 -0.02 -1.56 121.76 133.33 2obx s ALA 15 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2obx s ALA 15 Cb -0.13 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.09 2obx s ALA 15 CO 0.03 0.49 -0.07 0.08 0.00 0.00 0.00 175.76 176.29 2obx s VAL 16 N -0.64 2.55 -0.53 0.00 1.01 -0.33 0.38 120.40 122.83 2obx s VAL 16 Ca 0.13 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 2obx s VAL 16 Cb -0.12 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.92 2obx s VAL 16 CO 0.02 0.02 0.60 -0.69 0.00 0.00 0.00 175.10 175.06 2obx s VAL 17 N 1.20 4.95 -0.14 2.92 1.01 0.39 -1.29 120.40 129.44 2obx s VAL 17 Ca -0.05 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2obx s VAL 17 Cb -0.19 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2obx s VAL 17 CO -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 175.10 174.17 2obx s ARG 18 N 2.38 3.56 0.55 2.72 1.70 -0.98 -1.90 118.95 126.97 2obx s ARG 18 Ca 0.11 -0.46 -0.15 0.00 -0.47 0.00 0.00 55.73 54.76 2obx s ARG 18 Cb -0.23 -2.94 -0.06 0.00 -0.57 0.00 0.00 34.95 31.15 2obx s ARG 18 CO 0.08 0.37 1.00 0.00 -1.08 0.00 0.00 175.30 175.67 2obx s ALA 19 N 0.04 3.02 -1.99 7.88 0.00 -0.95 -1.97 121.76 127.79 2obx s ALA 19 Ca 0.02 0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.34 2obx s ALA 19 Cb -0.13 -3.13 0.56 0.00 0.00 0.00 0.00 23.12 20.43 2obx s ALA 19 CO 0.02 -0.42 1.47 0.54 0.00 0.00 0.00 175.76 177.37 2obx n ARG 20 N -1.88 2.49 -3.03 0.00 5.12 -0.26 -4.70 116.66 114.38 2obx n ARG 20 Ca 0.07 -2.30 -0.40 0.00 -1.93 0.00 0.00 57.85 53.29 2obx n ARG 20 Cb 0.54 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.29 2obx n ARG 20 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2obx s TRP 21 N -1.15 3.61 -1.44 -1.55 0.52 -1.24 -3.52 118.94 114.17 2obx s TRP 21 Ca 0.43 1.30 -0.11 0.00 0.02 0.00 0.00 56.10 57.73 2obx s TRP 21 Cb 0.22 -2.81 0.04 0.00 -1.15 0.00 0.00 33.47 29.78 2obx s TRP 21 CO 0.29 0.13 1.09 0.72 0.02 0.00 0.00 176.95 179.20 2obx n HIS 22 N 3.56 -2.63 -0.36 -1.98 8.25 -1.26 -4.53 115.22 116.27 2obx n HIS 22 Ca -0.02 0.96 0.26 0.00 -0.26 0.00 0.00 57.72 58.67 2obx n HIS 22 Cb 0.51 -4.56 0.52 0.00 1.12 0.00 0.00 29.99 27.58 2obx n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2obx h ALA 23 N 1.00 2.24 0.05 -1.41 0.00 -1.84 -0.36 119.26 118.94 2obx h ALA 23 Ca -0.57 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2obx h ALA 23 Cb 1.37 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2obx h ALA 23 CO 0.61 -0.75 -0.53 0.22 0.00 0.00 0.00 179.25 178.80 2obx h ASP 24 N 0.33 -1.61 -0.55 0.00 1.82 -1.91 0.52 116.42 115.02 2obx h ASP 24 Ca 0.69 0.18 -0.09 0.00 -0.39 0.00 0.00 57.03 57.41 2obx h ASP 24 Cb 1.76 0.60 -0.02 0.00 0.68 0.00 0.00 39.33 42.36 2obx h ASP 24 CO -0.42 -0.54 -0.02 0.40 -1.61 0.00 0.00 179.24 177.05 2obx h ILE 25 N -0.71 1.27 -0.44 2.25 2.04 -1.47 -3.24 117.51 117.22 2obx h ILE 25 Ca 0.01 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 2obx h ILE 25 Cb 0.74 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2obx h ILE 25 CO -0.33 0.41 0.18 0.58 0.00 0.00 0.00 178.15 178.99 2obx h VAL 26 N 0.86 1.20 -0.06 1.67 2.07 -1.02 -2.89 116.25 118.09 2obx h VAL 26 Ca 0.15 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2obx h VAL 26 Cb 0.57 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2obx h VAL 26 CO 0.03 0.23 0.03 0.44 0.02 0.00 0.00 177.57 178.32 2obx h ASP 27 N 0.56 0.07 0.31 0.57 3.45 -0.93 0.01 116.42 120.45 2obx h ASP 27 Ca 0.15 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 2obx h ASP 27 Cb 0.19 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 2obx h ASP 27 CO -0.01 0.06 -0.14 1.56 -1.57 0.00 0.00 179.24 179.14 2obx h GLN 28 N 0.08 0.00 0.08 3.56 1.08 -1.53 0.15 115.11 118.53 2obx h GLN 28 Ca 0.02 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.98 2obx h GLN 28 Cb 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2obx h GLN 28 CO -0.00 0.14 -1.00 0.00 -0.95 0.00 0.00 178.83 177.02 2obx h VAL 30 N 0.10 1.14 0.00 0.00 2.07 -0.75 -0.65 116.25 118.17 2obx h VAL 30 Ca -0.15 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2obx h VAL 30 Cb 1.70 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2obx h VAL 30 CO 0.19 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 176.36 2obx n SER 31 N -4.97 0.68 0.12 0.57 3.41 0.43 -1.56 113.62 112.31 2obx n SER 31 Ca -0.07 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2obx n SER 31 Cb 0.11 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.32 2obx n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2obx h ALA 32 N 2.44 0.68 0.00 7.33 0.00 -1.32 -2.87 119.26 125.52 2obx h ALA 32 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2obx h ALA 32 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2obx h ALA 32 CO 0.00 0.27 -0.00 0.35 0.00 0.00 0.00 179.25 179.87 2obx h PHE 33 N 0.00 -0.01 -0.26 0.00 3.57 -0.38 -2.71 116.94 117.15 2obx h PHE 33 Ca -0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2obx h PHE 33 Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2obx h PHE 33 CO 0.00 0.86 0.12 0.93 -2.23 0.00 0.00 178.31 177.99 2obx h GLU 34 N -0.90 0.39 -0.35 1.11 5.08 -1.40 0.28 114.58 118.78 2obx h GLU 34 Ca -0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2obx h GLU 34 Cb 0.87 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2obx h GLU 34 CO 0.00 0.40 0.21 0.00 -1.00 0.00 0.00 179.01 178.62 2obx h ALA 35 N 0.97 0.43 -0.55 3.43 0.00 -1.64 0.27 119.26 122.17 2obx h ALA 35 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2obx h ALA 35 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2obx h ALA 35 CO -0.01 -0.14 -0.05 0.93 0.00 0.00 0.00 179.25 179.98 2obx h GLU 36 N 0.42 1.00 -0.41 0.00 4.39 -1.37 -0.05 114.58 118.56 2obx h GLU 36 Ca 0.14 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 2obx h GLU 36 Cb -0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2obx h GLU 36 CO -0.06 1.02 0.24 1.98 -1.16 0.00 0.00 179.01 181.04 2obx h MET 37 N 0.88 0.56 0.00 2.33 4.05 0.01 0.64 114.93 123.39 2obx h MET 37 Ca 0.15 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2obx h MET 37 Cb 0.60 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2obx h MET 37 CO 0.04 0.42 -0.00 0.00 0.23 0.00 0.00 176.91 177.60 2obx h ALA 38 N 1.10 -0.00 -0.64 0.39 0.00 -0.35 0.31 119.26 120.07 2obx h ALA 38 Ca 0.15 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2obx h ALA 38 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2obx h ALA 38 CO -0.03 -0.37 0.34 0.22 0.00 0.00 0.00 179.25 179.42 2obx h ASP 39 N -0.27 0.48 0.99 0.00 1.82 -0.74 0.52 116.42 119.22 2obx h ASP 39 Ca -0.00 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.61 2obx h ASP 39 Cb 0.27 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2obx h ASP 39 CO 0.00 0.31 -1.05 0.16 -1.61 0.00 0.00 179.24 177.05 2obx h ILE 40 N 0.62 0.24 0.00 2.25 3.07 -0.92 -3.44 117.51 119.34 2obx h ILE 40 Ca 0.29 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 65.26 2obx h ILE 40 Cb 0.22 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2obx h ILE 40 CO -0.20 0.13 -0.23 0.61 -1.05 0.00 0.00 178.15 177.42 2obx n GLY 41 N 1.26 -0.07 7.00 0.16 0.00 -0.42 -5.05 105.19 108.07 2obx n GLY 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2obx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obx n GLY 42 N 2.03 0.52 0.22 -0.02 0.00 0.18 -3.20 105.19 104.92 2obx n GLY 42 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 46.02 46.82 2obx n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2obx n ASP 43 N 4.91 -0.28 0.04 1.61 5.75 -1.26 0.08 116.55 127.40 2obx n ASP 43 Ca 0.00 1.02 0.11 0.00 -0.01 0.00 0.00 54.79 55.90 2obx n ASP 43 Cb 0.00 -0.28 0.44 0.00 -1.03 0.00 0.00 41.12 40.25 2obx n ASP 43 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2obx n ARG 44 N -4.92 0.07 -4.31 0.11 0.00 -1.19 -4.85 116.66 101.57 2obx n ARG 44 Ca 0.08 0.21 -0.18 0.00 -0.00 0.00 0.00 57.85 57.97 2obx n ARG 44 Cb 0.27 -1.61 -0.10 0.00 -0.00 0.00 0.00 32.46 31.02 2obx n ARG 44 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2obx s PHE 45 N -3.08 1.58 -0.02 2.89 0.40 0.11 -2.24 117.98 117.64 2obx s PHE 45 Ca 0.09 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2obx s PHE 45 Cb 0.12 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.90 2obx s PHE 45 CO 0.40 0.27 -0.02 0.00 0.70 0.00 0.00 175.22 176.57 2obx s ALA 46 N -2.87 0.34 -0.21 5.36 0.00 -0.57 -4.75 121.76 119.06 2obx s ALA 46 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2obx s ALA 46 Cb -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2obx s ALA 46 CO 0.05 0.02 -0.12 0.08 0.00 0.00 0.00 175.76 175.79 2obx s VAL 47 N 0.39 2.62 -0.10 0.00 1.01 -1.26 -0.80 120.40 122.26 2obx s VAL 47 Ca -0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2obx s VAL 47 Cb -0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2obx s VAL 47 CO -0.01 0.40 0.08 -1.81 0.00 0.00 0.00 175.10 173.77 2obx s ASP 48 N 1.34 5.91 -0.09 3.32 1.01 -0.60 -4.98 116.67 122.58 2obx s ASP 48 Ca 0.03 0.33 0.04 0.00 0.71 0.00 0.00 52.55 53.66 2obx s ASP 48 Cb -0.15 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.97 2obx s ASP 48 CO -0.08 0.39 -0.22 -0.69 0.21 0.00 0.00 175.17 174.78 2obx s VAL 49 N -0.99 1.89 0.02 -1.27 1.01 -1.26 -1.19 120.40 118.61 2obx s VAL 49 Ca 0.15 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2obx s VAL 49 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2obx s VAL 49 CO 0.04 0.52 -0.26 -0.36 0.00 0.00 0.00 175.10 175.05 2obx s PHE 50 N 0.40 2.28 -0.03 5.22 0.40 -0.41 -4.96 117.98 120.88 2obx s PHE 50 Ca -0.18 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 55.60 2obx s PHE 50 Cb -0.18 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 2obx s PHE 50 CO 0.08 0.06 0.36 -0.51 0.70 0.00 0.00 175.22 175.90 2obx s ASP 51 N -0.97 6.73 -0.01 1.36 1.11 -1.26 -2.32 116.67 121.30 2obx s ASP 51 Ca 0.11 0.86 0.02 0.00 0.18 0.00 0.00 52.55 53.72 2obx s ASP 51 Cb -0.10 -2.22 -0.00 0.00 1.07 0.00 0.00 42.92 41.67 2obx s ASP 51 CO 0.01 0.33 -0.05 0.54 1.18 0.00 0.00 175.17 177.18 2obx s VAL 52 N -1.03 0.44 0.16 -1.27 0.11 -0.83 -4.96 120.40 113.01 2obx s VAL 52 Ca 0.22 -0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 58.77 2obx s VAL 52 Cb -0.16 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2obx s VAL 52 CO 0.11 0.13 1.57 -0.65 -3.33 0.00 0.00 175.10 172.93 2obx h PRO 53 N 6.08 -0.29 0.00 1.54 0.11 -1.94 -0.69 132.00 136.80 2obx h PRO 53 Ca -0.29 0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.52 2obx h PRO 53 Cb 1.19 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 2obx h PRO 53 CO 0.50 -0.19 -0.22 0.41 -0.21 0.00 0.00 178.00 178.29 2obx n GLY 54 N -1.41 2.28 0.35 -0.55 0.00 -1.26 -2.14 105.19 102.46 2obx n GLY 54 Ca -0.00 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.40 2obx n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obx h ALA 55 N 2.04 1.67 -0.05 4.61 0.00 -1.94 -2.35 119.26 123.25 2obx h ALA 55 Ca -0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2obx h ALA 55 Cb 1.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2obx h ALA 55 CO 0.36 0.24 0.04 -0.92 0.00 0.00 0.00 179.25 178.97 2obx h TYR 56 N 0.77 0.00 -0.02 0.00 3.20 -1.97 -1.21 116.97 117.74 2obx h TYR 56 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2obx h TYR 56 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2obx h TYR 56 CO -0.00 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.91 2obx n GLU 57 N -4.32 1.28 0.16 1.82 4.71 -0.88 -4.39 120.64 119.03 2obx n GLU 57 Ca -0.02 -0.41 -0.10 0.00 -0.01 0.00 0.00 57.16 56.62 2obx n GLU 57 Cb 0.14 -1.46 -0.06 0.00 -1.01 0.00 0.00 31.44 29.05 2obx n GLU 57 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2obx h ILE 58 N 0.97 0.32 -0.92 -3.67 2.04 -1.31 -3.21 117.51 111.73 2obx h ILE 58 Ca 0.00 -0.72 0.14 0.00 1.00 0.00 0.00 64.86 65.27 2obx h ILE 58 Cb 0.21 0.52 -0.15 0.00 -0.74 0.00 0.00 36.82 36.66 2obx h ILE 58 CO 0.00 0.08 -0.40 -0.65 0.00 0.00 0.00 178.15 177.18 2obx h PRO 59 N -1.03 -0.03 -0.35 2.37 0.11 -1.77 0.34 132.00 131.64 2obx h PRO 59 Ca -0.05 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.07 2obx h PRO 59 Cb 0.49 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2obx h PRO 59 CO 0.08 -0.02 0.22 1.25 -0.21 0.00 0.00 178.00 179.32 2obx h LEU 60 N -0.03 0.39 -0.57 2.35 5.85 -1.86 -0.37 115.31 121.06 2obx h LEU 60 Ca 0.31 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2obx h LEU 60 Cb 0.58 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2obx h LEU 60 CO -0.93 0.28 0.34 -0.74 -0.34 0.00 0.00 178.44 177.06 2obx h HIS 61 N 0.46 0.75 -0.87 1.25 2.76 -1.16 -0.04 115.15 118.30 2obx h HIS 61 Ca 0.13 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2obx h HIS 61 Cb -0.05 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.62 2obx h HIS 61 CO -0.06 0.51 0.56 0.00 -1.30 0.00 0.00 177.93 177.65 2obx h ALA 62 N 1.17 1.13 -0.44 5.26 0.00 0.01 -0.03 119.26 126.36 2obx h ALA 62 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2obx h ALA 62 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2obx h ALA 62 CO -0.04 0.43 0.06 -0.09 0.00 0.00 0.00 179.25 179.61 2obx h ARG 63 N 1.11 0.74 -0.17 0.00 2.43 -0.38 0.99 114.38 119.09 2obx h ARG 63 Ca 0.34 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2obx h ARG 63 Cb -0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2obx h ARG 63 CO -0.10 0.77 0.04 1.15 -1.51 0.00 0.00 179.97 180.32 2obx h THR 64 N 0.60 1.20 -0.70 0.20 2.02 -0.47 0.17 112.91 115.93 2obx h THR 64 Ca 0.13 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2obx h THR 64 Cb 0.40 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2obx h THR 64 CO 0.01 0.20 0.31 -0.07 0.37 0.00 0.00 175.52 176.34 2obx h LEU 65 N 0.08 0.92 -0.31 2.58 3.38 -0.99 -2.64 115.31 118.34 2obx h LEU 65 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2obx h LEU 65 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2obx h LEU 65 CO 0.00 0.80 0.16 0.00 0.09 0.00 0.00 178.44 179.49 2obx h ALA 66 N 1.34 0.39 0.00 1.53 0.00 -0.39 -2.99 119.26 119.15 2obx h ALA 66 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2obx h ALA 66 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2obx h ALA 66 CO -0.03 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.54 2obx n GLU 67 N -4.80 0.36 0.15 0.00 1.02 0.56 -2.40 120.64 115.52 2obx n GLU 67 Ca -0.02 0.08 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 2obx n GLU 67 Cb 0.08 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.35 2obx n GLU 67 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2obx h THR 68 N 0.00 0.00 0.00 2.62 1.35 -1.39 -3.47 112.91 112.02 2obx h THR 68 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2obx h THR 68 Cb 0.11 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2obx h THR 68 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2obx n GLY 69 N 1.11 2.60 0.00 5.82 0.00 -1.01 -4.86 105.19 108.86 2obx n GLY 69 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2obx n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2obx n ARG 70 N -2.00 0.14 -4.82 1.61 1.74 -1.26 -4.84 116.66 107.23 2obx n ARG 70 Ca 0.00 0.09 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 2obx n ARG 70 Cb 0.00 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 2obx n ARG 70 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2obx s TYR 71 N -2.82 2.02 -0.48 -1.55 1.51 -1.26 -4.42 117.35 110.34 2obx s TYR 71 Ca 0.16 -0.39 0.24 0.00 -1.01 0.00 0.00 57.07 56.07 2obx s TYR 71 Cb 0.15 -1.22 0.33 0.00 -0.11 0.00 0.00 41.96 41.11 2obx s TYR 71 CO 0.39 0.08 1.41 0.78 -1.11 0.00 0.00 175.55 177.10 2obx h GLY 72 N 4.98 0.00 -3.86 0.71 0.00 -1.26 -3.48 103.07 100.16 2obx h GLY 72 Ca -0.43 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.15 2obx h GLY 72 CO 0.44 0.00 0.82 0.00 0.00 0.00 0.00 176.54 177.81 2obx s ALA 73 N -3.22 -2.08 0.09 3.60 0.00 -1.23 -4.23 121.76 114.68 2obx s ALA 73 Ca 0.05 1.64 0.08 0.00 0.00 0.00 0.00 51.96 53.73 2obx s ALA 73 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2obx s ALA 73 CO 0.70 -0.57 -0.20 0.08 0.00 0.00 0.00 175.76 175.77 2obx s VAL 74 N -2.28 1.66 -0.18 0.00 1.01 -0.24 -0.84 120.40 119.53 2obx s VAL 74 Ca 0.09 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 2obx s VAL 74 Cb -0.01 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2obx s VAL 74 CO -0.04 -0.02 -0.13 -0.22 0.00 0.00 0.00 175.10 174.69 2obx s LEU 75 N -1.74 2.55 -0.19 3.92 2.96 0.16 -0.58 118.68 125.75 2obx s LEU 75 Ca 0.06 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 2obx s LEU 75 Cb -0.10 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 2obx s LEU 75 CO 0.04 0.05 0.11 -0.83 -1.32 0.00 0.00 176.35 174.39 2obx s GLY 76 N 1.05 2.01 -0.10 7.98 0.00 0.78 -0.46 107.32 118.58 2obx s GLY 76 Ca -0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 2obx s GLY 76 CO -0.03 0.11 0.24 -1.08 0.00 0.00 0.00 173.10 172.34 2obx s THR 77 N 0.35 -0.04 0.30 0.90 -1.32 -0.80 0.13 115.64 115.15 2obx s THR 77 Ca 0.07 0.15 -0.20 0.00 -1.21 0.00 0.00 61.69 60.50 2obx s THR 77 Cb -0.11 -0.37 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 2obx s THR 77 CO -0.01 0.06 0.75 0.00 -2.21 0.00 0.00 174.62 173.21 2obx s ALA 78 N 1.25 -1.14 -0.35 11.08 0.00 -1.01 -2.23 121.76 129.37 2obx s ALA 78 Ca -0.09 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2obx s ALA 78 Cb -0.10 0.80 0.10 0.00 0.00 0.00 0.00 23.12 23.92 2obx s ALA 78 CO -0.08 -1.03 0.09 0.12 0.00 0.00 0.00 175.76 174.86 2obx s PHE 79 N -3.51 2.96 -0.51 0.00 5.99 -1.26 -1.29 117.98 120.37 2obx s PHE 79 Ca 0.12 -2.57 -0.14 0.00 0.00 0.00 0.00 56.93 54.34 2obx s PHE 79 Cb -0.06 -2.47 0.11 0.00 0.00 0.00 0.00 43.02 40.61 2obx s PHE 79 CO 0.08 -0.91 0.44 0.08 -0.00 0.00 0.00 175.22 174.91 2obx s VAL 80 N 1.04 4.98 0.49 3.12 1.01 -0.10 -4.87 120.40 126.06 2obx s VAL 80 Ca 0.11 -1.44 0.05 0.00 0.00 0.00 0.00 61.98 60.70 2obx s VAL 80 Cb -0.19 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 2obx s VAL 80 CO -0.13 -0.77 0.26 0.68 0.00 0.00 0.00 175.10 175.14 2obx s VAL 81 N 1.56 1.85 -0.42 2.92 -7.23 -1.26 -4.09 120.40 113.72 2obx s VAL 81 Ca 0.04 -1.64 -0.13 0.00 -1.81 0.00 0.00 61.98 58.44 2obx s VAL 81 Cb -0.28 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.22 2obx s VAL 81 CO 0.03 0.00 0.30 0.21 -0.31 0.00 0.00 175.10 175.33 2obx s ASN 82 N -4.07 5.92 -0.04 4.85 2.47 -1.26 -4.65 114.94 118.16 2obx s ASN 82 Ca 0.32 -1.18 0.04 0.00 0.42 0.00 0.00 52.86 52.47 2obx s ASN 82 Cb 0.00 -2.10 0.20 0.00 -1.45 0.00 0.00 41.25 37.91 2obx s ASN 82 CO 0.19 -0.51 0.91 0.61 -3.72 0.00 0.00 177.10 174.58 2obx n GLY 83 N 5.08 1.32 2.51 1.21 0.00 -1.26 -4.75 105.19 109.30 2obx n GLY 83 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2obx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obx n GLY 84 N 0.34 0.36 1.16 -0.02 0.00 -1.26 -4.81 105.19 100.96 2obx n GLY 84 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2obx n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2obx n ILE 85 N -2.54 1.00 -3.85 -0.61 5.41 -1.26 -5.09 119.36 112.41 2obx n ILE 85 Ca 0.00 0.33 -0.21 0.00 1.00 0.00 0.00 62.75 63.87 2obx n ILE 85 Cb 0.16 -1.45 -0.04 0.00 -0.71 0.00 0.00 39.64 37.60 2obx n ILE 85 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2obx s TYR 86 N -2.00 2.93 0.08 1.39 1.51 -1.26 -5.10 117.35 114.90 2obx s TYR 86 Ca 0.00 -0.27 -0.19 0.00 -1.01 0.00 0.00 57.07 55.60 2obx s TYR 86 Cb 0.00 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.04 2obx s TYR 86 CO 0.00 0.23 0.56 1.03 -1.11 0.00 0.00 175.55 176.26 2obx s ARG 87 N -3.98 4.16 -0.02 -0.62 0.52 -1.26 -4.48 118.95 113.28 2obx s ARG 87 Ca 0.40 0.70 0.17 0.00 -0.52 0.00 0.00 55.73 56.48 2obx s ARG 87 Cb -0.06 -3.20 -0.26 0.00 0.52 0.00 0.00 34.95 31.95 2obx s ARG 87 CO 0.26 0.62 0.44 -2.39 0.02 0.00 0.00 175.30 174.26 2obx n HIS 88 N 1.61 0.00 -0.21 -0.53 1.44 -1.26 -4.60 115.22 111.67 2obx n HIS 88 Ca -0.10 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.77 2obx n HIS 88 Cb 0.51 -0.33 0.49 0.00 0.12 0.00 0.00 29.99 30.78 2obx n HIS 88 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2obx h GLU 89 N 0.00 0.44 -0.44 -1.40 3.07 -1.93 -1.99 114.58 112.33 2obx h GLU 89 Ca 0.00 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 2obx h GLU 89 Cb 0.73 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2obx h GLU 89 CO 0.00 0.29 -0.24 0.74 -1.40 0.00 0.00 179.01 178.41 2obx h PHE 90 N 0.46 1.08 0.28 4.33 -1.00 -1.99 -1.62 116.94 118.47 2obx h PHE 90 Ca 0.42 -0.28 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 2obx h PHE 90 Cb 0.96 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.28 2obx h PHE 90 CO -0.00 1.08 -0.13 0.28 -1.61 0.00 0.00 178.31 177.93 2obx h VAL 91 N 0.77 0.60 -0.89 -0.55 2.07 -1.74 -2.28 116.25 114.22 2obx h VAL 91 Ca 0.09 -0.83 0.21 0.00 0.82 0.00 0.00 66.70 67.00 2obx h VAL 91 Cb 0.81 0.95 -0.12 0.00 -1.52 0.00 0.00 31.29 31.41 2obx h VAL 91 CO 0.07 0.14 0.41 0.00 0.02 0.00 0.00 177.57 178.21 2obx h ALA 92 N -0.48 1.42 -0.71 1.67 0.00 -1.45 0.22 119.26 119.93 2obx h ALA 92 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2obx h ALA 92 Cb 0.51 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2obx h ALA 92 CO 0.06 -0.29 0.35 1.03 0.00 0.00 0.00 179.25 180.40 2obx h SER 93 N 0.45 0.91 0.26 0.00 0.87 -1.28 -2.05 113.55 112.71 2obx h SER 93 Ca 0.55 -0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.85 2obx h SER 93 Cb 1.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2obx h SER 93 CO -0.50 0.78 -0.51 0.00 -0.53 0.00 0.00 176.83 176.08 2obx h ALA 94 N 1.17 0.94 -0.34 6.23 0.00 -0.05 -1.59 119.26 125.62 2obx h ALA 94 Ca 0.24 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2obx h ALA 94 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2obx h ALA 94 CO -0.03 0.66 -0.38 0.28 0.00 0.00 0.00 179.25 179.78 2obx h VAL 95 N 0.23 1.28 -0.21 0.00 2.07 -0.75 0.42 116.25 119.29 2obx h VAL 95 Ca 0.01 -1.56 -0.12 0.00 0.82 0.00 0.00 66.70 65.86 2obx h VAL 95 Cb 0.97 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2obx h VAL 95 CO 0.08 0.51 -0.32 0.40 0.02 0.00 0.00 177.57 178.26 2obx h ILE 96 N 0.65 1.33 -0.09 4.57 5.03 -1.31 -0.42 117.51 127.27 2obx h ILE 96 Ca 0.05 -1.53 -0.13 0.00 -0.12 0.00 0.00 64.86 63.12 2obx h ILE 96 Cb 0.97 1.82 -0.01 0.00 -3.03 0.00 0.00 36.82 36.57 2obx h ILE 96 CO 0.09 0.47 -0.53 0.44 -0.68 0.00 0.00 178.15 177.95 2obx h ASP 97 N 0.26 0.26 0.12 1.72 3.32 -1.31 -2.70 116.42 118.10 2obx h ASP 97 Ca 0.02 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2obx h ASP 97 Cb 0.90 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2obx h ASP 97 CO 0.07 0.74 -0.07 1.23 -1.72 0.00 0.00 179.24 179.50 2obx h GLY 98 N 1.38 -0.18 2.00 2.75 0.00 0.01 0.21 103.07 109.23 2obx h GLY 98 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2obx h GLY 98 CO 0.08 -0.07 -0.13 -0.33 0.00 0.00 0.00 176.54 176.09 2obx h MET 99 N -0.18 0.00 -0.03 4.80 2.86 -1.00 0.33 114.93 121.70 2obx h MET 99 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.41 2obx h MET 99 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2obx h MET 99 CO 0.02 0.13 -0.87 1.98 1.06 0.00 0.00 176.91 179.24 2obx h MET 100 N 0.00 0.43 -0.41 1.72 -1.53 -1.09 -1.90 114.93 112.15 2obx h MET 100 Ca -0.00 -0.42 -0.08 0.00 -3.44 0.00 0.00 59.70 55.76 2obx h MET 100 Cb 0.26 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 2obx h MET 100 CO 0.02 1.07 -0.07 -0.97 0.14 0.00 0.00 176.91 177.10 2obx h ASN 101 N 0.26 0.77 -0.09 1.39 -0.73 0.90 -2.12 115.58 115.97 2obx h ASN 101 Ca -0.06 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 57.75 2obx h ASN 101 Cb 1.48 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.86 2obx h ASN 101 CO 0.15 0.94 0.01 0.58 -0.37 0.00 0.00 177.43 178.74 2obx h VAL 102 N 0.60 1.23 0.00 2.57 2.07 -0.38 -2.98 116.25 119.36 2obx h VAL 102 Ca 0.11 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2obx h VAL 102 Cb 0.58 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2obx h VAL 102 CO 0.03 0.20 -0.28 0.06 0.02 0.00 0.00 177.57 177.61 2obx h GLN 103 N -0.10 0.00 -0.03 1.57 3.07 -1.36 -2.29 115.11 115.96 2obx h GLN 103 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.55 2obx h GLN 103 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2obx h GLN 103 CO 0.00 0.28 -0.89 -0.07 0.09 0.00 0.00 178.83 178.25 2obx h LEU 104 N 0.00 0.60 0.00 0.06 3.38 -1.34 -1.63 115.31 116.38 2obx h LEU 104 Ca -0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2obx h LEU 104 Cb 0.62 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2obx h LEU 104 CO 0.04 1.23 -0.72 0.77 0.09 0.00 0.00 178.44 179.85 2obx h SER 105 N 0.29 0.00 0.24 -0.43 4.64 -1.45 -3.35 113.55 113.48 2obx h SER 105 Ca -0.07 -0.03 -0.31 0.00 -0.47 0.00 0.00 61.79 60.91 2obx h SER 105 Cb 1.51 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.54 2obx h SER 105 CO 0.16 0.01 -2.05 0.35 -0.87 0.00 0.00 176.83 174.44 2obx n THR 106 N -2.69 1.41 -0.19 2.95 -2.24 -0.87 -4.96 114.28 107.68 2obx n THR 106 Ca 0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2obx n THR 106 Cb 0.53 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2obx n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2obx n GLY 107 N 1.63 1.57 3.69 3.38 0.00 -0.61 -5.01 105.19 109.84 2obx n GLY 107 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2obx n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2obx s VAL 108 N -2.83 5.05 0.28 1.61 1.01 -1.24 -5.02 120.40 119.26 2obx s VAL 108 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 2obx s VAL 108 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2obx s VAL 108 CO 0.00 0.19 1.57 -2.84 0.00 0.00 0.00 175.10 174.02 2obx s PRO 109 N 1.33 4.15 -0.26 2.72 0.02 -1.26 -4.37 135.00 137.34 2obx s PRO 109 Ca 0.32 2.52 0.01 0.00 0.02 0.00 0.00 61.00 63.86 2obx s PRO 109 Cb -0.16 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.38 2obx s PRO 109 CO 0.13 -0.59 -0.00 0.08 -0.33 0.00 0.00 177.00 176.29 2obx s VAL 110 N 0.07 1.44 0.23 3.83 1.01 -1.26 -1.08 120.40 124.65 2obx s VAL 110 Ca 0.63 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 2obx s VAL 110 Cb -0.47 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 2obx s VAL 110 CO 0.46 -0.30 0.76 -0.76 0.00 0.00 0.00 175.10 175.25 2obx s LEU 111 N 1.40 4.37 -0.22 3.92 1.02 0.26 -4.91 118.68 124.52 2obx s LEU 111 Ca 0.00 1.49 -0.06 0.00 0.02 0.00 0.00 54.13 55.59 2obx s LEU 111 Cb -0.18 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.39 2obx s LEU 111 CO -0.10 0.04 0.03 -0.55 0.02 0.00 0.00 176.35 175.78 2obx s SER 112 N -1.60 5.01 -0.15 2.29 0.15 -1.26 -0.16 113.70 117.99 2obx s SER 112 Ca 0.43 -0.18 0.16 0.00 0.70 0.00 0.00 55.95 57.06 2obx s SER 112 Cb -0.17 -1.87 0.42 0.00 -1.71 0.00 0.00 66.02 62.68 2obx s SER 112 CO 0.22 0.04 1.20 0.00 1.20 0.00 0.00 173.24 175.90 2obx n ALA 113 N 4.43 3.25 -2.76 5.45 0.00 0.34 -4.95 120.51 126.28 2obx n ALA 113 Ca -0.17 -3.00 -0.43 0.00 0.00 0.00 0.00 53.44 49.84 2obx n ALA 113 Cb 0.52 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 2obx n ALA 113 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2obx s VAL 114 N -2.25 4.58 -0.02 0.00 1.01 -1.21 -2.39 120.40 120.12 2obx s VAL 114 Ca 0.37 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2obx s VAL 114 Cb 0.37 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2obx s VAL 114 CO -0.10 -1.06 -0.09 -0.76 0.00 0.00 0.00 175.10 173.09 2obx s LEU 115 N 3.41 3.06 -0.17 3.92 1.02 -0.41 -4.90 118.68 124.61 2obx s LEU 115 Ca 0.22 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.23 2obx s LEU 115 Cb -0.16 -1.72 0.03 0.00 0.02 0.00 0.00 46.19 44.36 2obx s LEU 115 CO 0.14 0.31 -0.10 -0.89 0.02 0.00 0.00 176.35 175.83 2obx s THR 116 N -0.90 1.41 0.31 5.49 2.01 -1.26 -0.93 115.64 121.77 2obx s THR 116 Ca 0.15 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 2obx s THR 116 Cb -0.11 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.85 2obx s THR 116 CO 0.05 0.26 0.86 -2.16 -0.69 0.00 0.00 174.62 172.93 2obx s PRO 117 N 1.52 4.37 0.28 4.92 0.04 -1.26 -4.95 135.00 139.92 2obx s PRO 117 Ca 0.02 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.16 2obx s PRO 117 Cb -0.15 -2.69 0.58 0.00 0.04 0.00 0.00 34.50 32.28 2obx s PRO 117 CO -0.09 0.25 1.82 0.45 0.04 0.00 0.00 177.00 179.47 2obx h HIS 118 N 2.96 1.08 -3.05 0.56 3.86 -2.00 -3.42 115.15 115.14 2obx h HIS 118 Ca -0.48 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 58.59 2obx h HIS 118 Cb 1.19 -0.34 -0.28 0.00 1.06 0.00 0.00 27.41 29.04 2obx h HIS 118 CO 0.62 0.38 -0.45 -0.80 0.86 0.00 0.00 177.93 178.54 2obx s ASN 119 N -5.61 -0.28 -0.28 2.45 -0.87 -1.26 -5.01 114.94 104.09 2obx s ASN 119 Ca -0.12 0.53 -0.01 0.00 -1.57 0.00 0.00 52.86 51.70 2obx s ASN 119 Cb 0.23 0.47 0.17 0.00 -0.02 0.00 0.00 41.25 42.10 2obx s ASN 119 CO 0.80 -0.13 0.51 -0.47 -2.57 0.00 0.00 177.10 175.24 2obx s TYR 120 N 0.77 -1.33 -0.23 2.20 5.04 -1.26 -5.03 117.35 117.51 2obx s TYR 120 Ca -0.05 1.28 0.14 0.00 -2.44 0.00 0.00 57.07 55.99 2obx s TYR 120 Cb -0.06 0.32 0.62 0.00 0.35 0.00 0.00 41.96 43.18 2obx s TYR 120 CO -0.05 -0.85 1.56 0.72 -1.34 0.00 0.00 175.55 175.59 2obx n HIS 121 N 5.40 1.44 -3.93 4.97 8.25 -1.26 -4.71 115.22 125.38 2obx n HIS 121 Ca -0.01 -1.01 -0.26 0.00 -0.26 0.00 0.00 57.72 56.18 2obx n HIS 121 Cb 0.51 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 2obx n HIS 121 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2obx n ASP 122 N -0.35 -0.76 -4.72 0.41 -0.08 -1.26 -4.98 116.55 104.81 2obx n ASP 122 Ca 0.28 -1.01 -0.25 0.00 -1.51 0.00 0.00 54.79 52.29 2obx n ASP 122 Cb 1.06 -3.08 -0.07 0.00 2.34 0.00 0.00 41.12 41.37 2obx n ASP 122 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2obx s SER 123 N -4.29 5.06 0.18 1.67 1.04 -1.26 -4.87 113.70 111.22 2obx s SER 123 Ca 0.05 -0.33 -0.26 0.00 0.48 0.00 0.00 55.95 55.89 2obx s SER 123 Cb -0.02 -1.17 0.04 0.00 0.10 0.00 0.00 66.02 64.97 2obx s SER 123 CO 0.89 0.06 1.56 0.00 0.98 0.00 0.00 173.24 176.72 2obx h ALA 124 N 2.38 -0.32 -0.72 5.32 0.00 -1.97 1.17 119.26 125.11 2obx h ALA 124 Ca -0.47 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2obx h ALA 124 Cb 1.21 1.08 -0.04 0.00 0.00 0.00 0.00 17.79 20.04 2obx h ALA 124 CO 0.60 -0.84 0.47 0.93 0.00 0.00 0.00 179.25 180.41 2obx h GLU 125 N -0.15 0.90 0.24 0.00 3.07 -1.97 0.52 114.58 117.20 2obx h GLU 125 Ca 0.20 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 2obx h GLU 125 Cb 0.54 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2obx h GLU 125 CO -0.80 0.60 -0.12 0.45 -1.40 0.00 0.00 179.01 177.75 2obx h HIS 126 N 0.93 -0.30 -0.31 4.33 3.86 -1.44 0.21 115.15 122.42 2obx h HIS 126 Ca 0.28 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.53 2obx h HIS 126 Cb -0.05 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 2obx h HIS 126 CO -0.03 0.02 0.01 1.25 0.86 0.00 0.00 177.93 180.04 2obx h HIS 127 N -0.65 0.00 -0.95 2.45 6.17 0.15 -0.85 115.15 121.47 2obx h HIS 127 Ca -0.03 0.02 0.08 0.00 0.71 0.00 0.00 60.37 61.15 2obx h HIS 127 Cb 0.46 0.05 -0.07 0.00 2.52 0.00 0.00 27.41 30.36 2obx h HIS 127 CO 0.02 -0.04 0.60 -0.09 0.71 0.00 0.00 177.93 179.13 2obx h ARG 128 N 0.10 1.01 -0.06 5.26 2.43 0.11 -0.51 114.38 122.73 2obx h ARG 128 Ca 0.15 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2obx h ARG 128 Cb 0.19 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2obx h ARG 128 CO -0.24 0.67 0.02 0.35 -1.51 0.00 0.00 179.97 179.26 2obx h PHE 129 N 1.04 0.09 0.00 2.20 3.57 0.41 -2.91 116.94 121.34 2obx h PHE 129 Ca 0.43 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.83 2obx h PHE 129 Cb 0.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2obx h PHE 129 CO -0.02 0.22 -0.44 0.74 -2.23 0.00 0.00 178.31 176.58 2obx h PHE 130 N -0.07 0.00 -0.93 0.41 -1.00 -1.01 -1.40 116.94 112.94 2obx h PHE 130 Ca 0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2obx h PHE 130 Cb 0.17 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 2obx h PHE 130 CO -0.02 0.44 0.55 0.35 -1.61 0.00 0.00 178.31 178.01 2obx h PHE 131 N 0.00 1.24 0.00 -0.55 3.57 -1.08 -0.52 116.94 119.61 2obx h PHE 131 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2obx h PHE 131 Cb 1.15 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2obx h PHE 131 CO 0.00 0.83 -0.22 0.93 -2.23 0.00 0.00 178.31 177.63 2obx h GLU 132 N 1.29 0.15 0.00 1.11 5.08 -1.37 -3.33 114.58 117.50 2obx h GLU 132 Ca 0.33 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2obx h GLU 132 Cb -0.03 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2obx h GLU 132 CO -0.06 0.91 -0.14 1.25 -1.00 0.00 0.00 179.01 179.96 2obx h HIS 133 N -0.55 0.00 -0.04 4.33 2.76 -1.04 -2.62 115.15 117.98 2obx h HIS 133 Ca -0.03 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.07 2obx h HIS 133 Cb 0.98 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 2obx h HIS 133 CO 0.19 0.14 -0.29 0.74 -1.30 0.00 0.00 177.93 177.41 2obx h PHE 134 N 0.00 0.08 -0.30 5.26 -1.00 -1.21 -1.21 116.94 118.57 2obx h PHE 134 Ca -0.00 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 2obx h PHE 134 Cb 0.31 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 2obx h PHE 134 CO 0.00 0.36 -0.11 1.79 -1.61 0.00 0.00 178.31 178.74 2obx h THR 135 N 0.07 1.23 -0.38 -1.55 1.35 -1.53 0.48 112.91 112.58 2obx h THR 135 Ca 0.01 -1.00 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 2obx h THR 135 Cb 0.56 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2obx h THR 135 CO 0.04 0.33 0.11 0.58 -0.25 0.00 0.00 175.52 176.33 2obx h VAL 136 N 0.46 1.22 -0.53 6.82 2.07 -1.33 -0.77 116.25 124.20 2obx h VAL 136 Ca 0.09 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 2obx h VAL 136 Cb 0.48 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2obx h VAL 136 CO 0.03 0.25 -0.12 0.11 0.02 0.00 0.00 177.57 177.86 2obx h LYS 137 N 0.47 1.00 -0.94 1.57 1.79 -0.86 -1.89 116.57 117.71 2obx h LYS 137 Ca 0.12 -0.37 0.08 0.00 -2.18 0.00 0.00 60.65 58.30 2obx h LYS 137 Cb 0.27 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 2obx h LYS 137 CO -0.00 1.06 0.59 0.78 -1.08 0.00 0.00 179.45 180.79 2obx h GLY 138 N 0.93 1.46 1.79 3.86 0.00 0.31 0.25 103.07 111.68 2obx h GLY 138 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 2obx h GLY 138 CO 0.05 0.25 -0.49 0.07 0.00 0.00 0.00 176.54 176.42 2obx h LYS 139 N 1.03 0.22 -0.30 4.80 5.09 -0.88 -2.46 116.57 124.08 2obx h LYS 139 Ca 0.43 -0.12 -0.12 0.00 0.09 0.00 0.00 60.65 60.92 2obx h LYS 139 Cb 0.27 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.60 2obx h LYS 139 CO -0.21 0.67 -0.32 0.93 -2.09 0.00 0.00 179.45 178.43 2obx h GLU 140 N 0.18 0.64 -0.53 0.07 5.08 -0.19 -2.96 114.58 116.87 2obx h GLU 140 Ca 0.01 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2obx h GLU 140 Cb 0.93 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2obx h GLU 140 CO 0.08 0.88 0.09 0.00 -1.00 0.00 0.00 179.01 179.05 2obx h ALA 141 N 1.10 0.70 -0.16 3.43 0.00 -0.38 -1.68 119.26 122.27 2obx h ALA 141 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2obx h ALA 141 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2obx h ALA 141 CO 0.07 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 2obx h ALA 142 N 0.99 0.13 -0.69 0.00 0.00 -1.31 0.17 119.26 118.55 2obx h ALA 142 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2obx h ALA 142 Cb 0.40 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2obx h ALA 142 CO 0.01 -0.45 0.30 0.00 0.00 0.00 0.00 179.25 179.11 2obx h ARG 143 N 0.04 1.01 -0.28 0.00 3.08 -1.45 -1.43 114.38 115.34 2obx h ARG 143 Ca 0.08 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2obx h ARG 143 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2obx h ARG 143 CO -0.14 0.82 0.14 0.00 -1.07 0.00 0.00 179.97 179.72 2obx h ALA 144 N 1.14 0.34 0.12 0.04 0.00 -0.87 0.11 119.26 120.13 2obx h ALA 144 Ca 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2obx h ALA 144 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2obx h ALA 144 CO -0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 179.25 178.89 2obx h VAL 146 N -0.21 1.00 -0.08 0.00 2.07 -1.09 -2.42 116.25 115.51 2obx h VAL 146 Ca -0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2obx h VAL 146 Cb 0.19 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2obx h VAL 146 CO -0.00 0.05 -0.00 -0.33 0.02 0.00 0.00 177.57 177.31 2obx h GLU 147 N 0.29 0.03 -0.57 1.57 5.08 -0.75 0.11 114.58 120.33 2obx h GLU 147 Ca 0.11 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2obx h GLU 147 Cb 0.03 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2obx h GLU 147 CO -0.07 0.02 0.19 0.97 -1.00 0.00 0.00 179.01 179.12 2obx h ILE 148 N 0.03 1.22 -0.46 3.13 6.09 -1.02 0.91 117.51 127.40 2obx h ILE 148 Ca 0.04 -0.72 -0.10 0.00 -1.37 0.00 0.00 64.86 62.71 2obx h ILE 148 Cb 0.04 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 2obx h ILE 148 CO -0.06 0.28 -0.09 -0.07 -3.07 0.00 0.00 178.15 175.14 2obx h LEU 149 N 0.83 0.88 -0.83 2.19 3.38 -1.16 0.40 115.31 121.00 2obx h LEU 149 Ca 0.19 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2obx h LEU 149 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2obx h LEU 149 CO -0.01 1.03 -0.52 0.00 0.09 0.00 0.00 178.44 179.03 2obx h ALA 150 N 0.88 0.99 -0.24 1.53 0.00 -0.08 -2.51 119.26 119.84 2obx h ALA 150 Ca 0.12 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2obx h ALA 150 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2obx h ALA 150 CO 0.04 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.54 2obx h ALA 151 N 1.48 0.37 -0.35 0.00 0.00 0.12 -2.96 119.26 117.92 2obx h ALA 151 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2obx h ALA 151 Cb 1.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2obx h ALA 151 CO 0.07 0.48 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 2obx h ARG 152 N 0.41 0.54 -0.21 0.00 3.08 -0.85 -1.34 114.38 116.02 2obx h ARG 152 Ca 0.02 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.01 2obx h ARG 152 Cb 1.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2obx h ARG 152 CO 0.09 0.57 0.24 1.49 -1.07 0.00 0.00 179.97 181.29 2obx h GLU 153 N 0.52 0.00 0.00 0.04 4.57 -1.28 -0.99 114.58 117.44 2obx h GLU 153 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2obx h GLU 153 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2obx h GLU 153 CO 0.01 0.00 -0.51 0.87 -1.18 0.00 0.00 179.01 178.20 2obx h LYS 154 N 0.00 0.00 -6.37 1.92 1.57 -1.21 -3.46 116.57 109.02 2obx h LYS 154 Ca 0.10 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.33 2obx h LYS 154 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2obx h LYS 154 CO -0.00 0.00 0.73 0.42 -0.57 0.00 0.00 179.45 180.03 2obx s ILE 155 N -3.23 3.99 -0.46 1.86 1.01 -0.38 -4.88 121.20 119.11 2obx s ILE 155 Ca 0.05 1.37 -0.06 0.00 0.00 0.00 0.00 60.65 62.00 2obx s ILE 155 Cb 0.10 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.52 2obx s ILE 155 CO 0.71 0.02 2.90 0.00 0.00 0.00 0.00 174.94 178.57 2obx n ALA 156 N 5.03 5.73 0.00 9.38 0.00 -1.26 -5.05 120.51 134.34 2obx n ALA 156 Ca 0.11 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2obx n ALA 156 Cb 0.45 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2obx n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50