#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 1.82 -3.81 6.31 -1.04 -1.26 -5.00 114.28 111.30 2obx n THR 11 Ca 0.00 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.19 2obx n THR 11 Cb 0.00 -1.53 -0.12 0.00 -1.82 0.00 0.00 70.33 66.86 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 -0.91 4.39 -0.11 12.58 1.01 -0.10 -4.96 120.40 132.29 2obx s VAL 12 Ca 0.58 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 2obx s VAL 12 Cb -0.59 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2obx s VAL 12 CO 0.60 0.36 0.35 -0.13 0.00 0.00 0.00 175.10 176.28 2obx s ARG 13 N 1.41 4.13 -0.12 2.72 0.52 -1.26 -0.75 118.95 125.61 2obx s ARG 13 Ca 0.05 0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2obx s ARG 13 Cb -0.15 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 2obx s ARG 13 CO 0.04 0.38 -0.08 0.42 0.02 0.00 0.00 175.30 176.08 2obx s ILE 14 N -0.01 3.57 -0.29 1.52 1.09 0.49 -0.43 121.20 127.14 2obx s ILE 14 Ca 0.20 -0.49 -0.08 0.00 -1.10 0.00 0.00 60.65 59.18 2obx s ILE 14 Cb -0.14 -2.51 -0.01 0.00 -1.06 0.00 0.00 42.46 38.74 2obx s ILE 14 CO 0.08 0.54 0.11 0.00 -0.10 0.00 0.00 174.94 175.57 2obx s ALA 15 N -0.06 3.19 -0.24 9.38 0.00 -0.89 -1.68 121.76 131.46 2obx s ALA 15 Ca -0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 2obx s ALA 15 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 2obx s ALA 15 CO 0.03 -0.78 0.34 0.08 0.00 0.00 0.00 175.76 175.43 2obx s VAL 16 N 1.58 5.22 -0.38 0.00 1.01 0.51 -0.07 120.40 128.27 2obx s VAL 16 Ca 0.05 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 2obx s VAL 16 Cb -0.16 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.64 2obx s VAL 16 CO 0.04 0.22 0.17 -0.69 0.00 0.00 0.00 175.10 174.84 2obx s VAL 17 N 1.63 3.41 -0.10 2.92 1.01 0.22 -0.10 120.40 129.40 2obx s VAL 17 Ca 0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 2obx s VAL 17 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2obx s VAL 17 CO 0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 175.10 174.67 2obx s ARG 18 N 1.23 3.12 0.98 2.72 1.70 -0.80 -1.39 118.95 126.51 2obx s ARG 18 Ca 0.04 -0.42 -0.14 0.00 -0.47 0.00 0.00 55.73 54.74 2obx s ARG 18 Cb -0.22 -2.83 0.18 0.00 -0.57 0.00 0.00 34.95 31.51 2obx s ARG 18 CO -0.02 0.62 1.16 0.00 -1.08 0.00 0.00 175.30 175.98 2obx s ALA 19 N -0.66 1.58 -0.35 7.88 0.00 -0.85 -1.73 121.76 127.64 2obx s ALA 19 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2obx s ALA 19 Cb -0.12 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 2obx s ALA 19 CO 0.02 -2.59 0.40 0.54 0.00 0.00 0.00 175.76 174.14 2obx n ARG 20 N -3.98 2.48 -2.43 0.00 5.12 -0.20 -4.70 116.66 112.95 2obx n ARG 20 Ca 0.09 -0.39 -0.41 0.00 -1.93 0.00 0.00 57.85 55.21 2obx n ARG 20 Cb 0.59 -0.89 -0.04 0.00 -1.16 0.00 0.00 32.46 30.97 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 -0.80 3.49 -1.74 -1.55 0.52 -1.19 -2.52 118.94 115.15 2obx s TRP 21 Ca 0.03 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.64 2obx s TRP 21 Cb 0.03 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 2obx s TRP 21 CO 0.09 -0.98 0.00 0.72 0.02 0.00 0.00 176.95 176.81 2obx n HIS 22 N 2.44 -0.73 -0.54 -1.98 8.25 -1.26 -4.57 115.22 116.83 2obx n HIS 22 Ca 0.04 0.00 0.44 0.00 -0.26 0.00 0.00 57.72 57.94 2obx n HIS 22 Cb 0.45 -3.48 0.72 0.00 1.12 0.00 0.00 29.99 28.81 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 0.70 3.13 -0.10 -1.41 0.00 -1.77 0.39 119.26 120.20 2obx h ALA 23 Ca -0.42 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2obx h ALA 23 Cb 1.28 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 2obx h ALA 23 CO 0.53 -1.79 -0.33 0.22 0.00 0.00 0.00 179.25 177.88 2obx h ASP 24 N 0.00 -1.05 -0.31 0.00 1.82 -1.88 0.19 116.42 115.19 2obx h ASP 24 Ca 0.90 0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 57.62 2obx h ASP 24 Cb 3.11 0.41 -0.01 0.00 0.68 0.00 0.00 39.33 43.52 2obx h ASP 24 CO -0.34 -0.28 -0.01 0.40 -1.61 0.00 0.00 179.24 177.40 2obx h ILE 25 N -0.34 1.26 -0.44 2.25 2.04 -1.31 -3.23 117.51 117.74 2obx h ILE 25 Ca 0.02 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 64.98 2obx h ILE 25 Cb 0.40 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2obx h ILE 25 CO -0.27 0.31 0.13 0.58 0.00 0.00 0.00 178.15 178.90 2obx h VAL 26 N 0.35 0.83 0.00 1.67 2.07 -1.22 -1.20 116.25 118.75 2obx h VAL 26 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2obx h VAL 26 Cb 0.45 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2obx h VAL 26 CO 0.02 0.05 0.05 0.44 0.02 0.00 0.00 177.57 178.14 2obx h ASP 27 N 0.29 0.00 -0.33 0.57 3.45 -0.65 -0.36 116.42 119.38 2obx h ASP 27 Ca 0.21 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.50 2obx h ASP 27 Cb 0.23 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 2obx h ASP 27 CO -0.24 0.00 -0.47 1.56 -1.57 0.00 0.00 179.24 178.52 2obx h GLN 28 N 0.00 0.91 -0.35 3.56 1.08 -1.27 -0.26 115.11 118.77 2obx h GLN 28 Ca 0.00 -0.53 -0.08 0.00 -1.45 0.00 0.00 58.65 56.59 2obx h GLN 28 Cb 0.09 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2obx h GLN 28 CO 0.00 1.18 -0.09 0.00 -0.95 0.00 0.00 178.83 178.96 2obx h VAL 30 N 0.47 1.21 -0.24 0.00 2.07 -1.30 0.55 116.25 119.03 2obx h VAL 30 Ca 0.09 -0.57 -0.16 0.00 0.82 0.00 0.00 66.70 66.87 2obx h VAL 30 Cb 0.60 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2obx h VAL 30 CO 0.04 0.24 -0.52 0.77 0.02 0.00 0.00 177.57 178.12 2obx h SER 31 N 0.88 0.75 -0.47 0.57 4.64 -0.98 -1.84 113.55 117.10 2obx h SER 31 Ca 0.22 -0.39 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 2obx h SER 31 Cb 0.08 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2obx h SER 31 CO -0.03 1.13 -0.21 0.00 -0.87 0.00 0.00 176.83 176.84 2obx h ALA 32 N 0.89 0.66 -0.40 5.18 0.00 -1.14 -1.54 119.26 122.92 2obx h ALA 32 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2obx h ALA 32 Cb 1.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2obx h ALA 32 CO 0.11 0.65 0.21 0.35 0.00 0.00 0.00 179.25 180.57 2obx h PHE 33 N 0.83 0.40 -0.58 0.00 3.57 -0.78 -0.99 116.94 119.39 2obx h PHE 33 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2obx h PHE 33 Cb 0.79 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2obx h PHE 33 CO 0.05 0.22 0.15 0.93 -2.23 0.00 0.00 178.31 177.43 2obx h GLU 34 N 0.43 0.92 0.81 1.11 5.08 -1.18 -0.23 114.58 121.53 2obx h GLU 34 Ca 0.16 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2obx h GLU 34 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2obx h GLU 34 CO -0.10 0.85 -0.46 0.00 -1.00 0.00 0.00 179.01 178.30 2obx h ALA 35 N 1.03 -1.28 -0.98 3.43 0.00 -0.84 -1.71 119.26 118.91 2obx h ALA 35 Ca 0.18 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2obx h ALA 35 Cb 0.33 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2obx h ALA 35 CO 0.00 -1.23 0.62 0.93 0.00 0.00 0.00 179.25 179.57 2obx h GLU 36 N -1.18 1.04 0.00 0.00 4.39 -1.21 -0.40 114.58 117.22 2obx h GLU 36 Ca -0.11 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2obx h GLU 36 Cb 0.93 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2obx h GLU 36 CO 0.14 0.69 -0.03 1.98 -1.16 0.00 0.00 179.01 180.63 2obx h MET 37 N 1.07 0.00 0.00 2.33 4.05 -0.84 -1.27 114.93 120.27 2obx h MET 37 Ca 0.45 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.82 2obx h MET 37 Cb 0.29 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2obx h MET 37 CO -0.21 0.03 -1.31 0.00 0.23 0.00 0.00 176.91 175.65 2obx n ALA 38 N -2.52 2.39 0.02 0.39 0.00 -0.48 -3.29 120.51 117.02 2obx n ALA 38 Ca -0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 2obx n ALA 38 Cb 0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 2obx n ALA 38 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2obx h ASP 39 N 0.00 -0.10 -0.50 0.00 1.82 -0.03 -2.25 116.42 115.35 2obx h ASP 39 Ca -0.06 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 2obx h ASP 39 Cb 1.18 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2obx h ASP 39 CO 0.01 0.48 0.00 2.30 -1.61 0.00 0.00 179.24 180.43 2obx n ILE 40 N -4.86 0.80 0.00 2.25 -5.35 -0.64 -4.61 119.36 106.95 2obx n ILE 40 Ca -0.08 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2obx n ILE 40 Cb 0.29 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 2obx n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2obx n GLY 41 N 1.24 -0.03 2.04 3.28 0.00 -1.21 -5.07 105.19 105.44 2obx n GLY 41 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 2.47 -2.94 3.66 -0.02 0.00 -0.84 -4.00 105.19 103.51 2obx n GLY 42 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.86 -0.80 -0.08 1.61 5.75 -1.26 -4.66 116.55 118.96 2obx n ASP 43 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 2obx n ASP 43 Cb 0.00 -2.15 -0.11 0.00 -1.03 0.00 0.00 41.12 37.83 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 -1.67 1.29 -4.38 0.11 -4.01 -1.26 -4.77 116.66 101.97 2obx n ARG 44 Ca 0.00 0.02 -0.21 0.00 -1.04 0.00 0.00 57.85 56.62 2obx n ARG 44 Cb 0.06 -1.38 -0.10 0.00 -3.04 0.00 0.00 32.46 28.00 2obx n ARG 44 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 2obx s PHE 45 N -2.36 1.95 0.02 2.89 0.40 -1.26 -0.93 117.98 118.69 2obx s PHE 45 Ca -0.12 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.78 2obx s PHE 45 Cb 0.05 -0.90 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 2obx s PHE 45 CO 0.56 0.47 -0.09 0.00 0.70 0.00 0.00 175.22 176.86 2obx s ALA 46 N -2.52 0.76 -0.12 5.36 0.00 0.07 -4.79 121.76 120.52 2obx s ALA 46 Ca 0.23 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2obx s ALA 46 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2obx s ALA 46 CO 0.09 0.13 -0.18 0.08 0.00 0.00 0.00 175.76 175.88 2obx s VAL 47 N -0.67 2.55 -0.11 0.00 1.01 -1.26 -0.38 120.40 121.54 2obx s VAL 47 Ca -0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2obx s VAL 47 Cb -0.06 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2obx s VAL 47 CO 0.00 0.54 -0.18 -1.81 0.00 0.00 0.00 175.10 173.65 2obx s ASP 48 N 0.47 3.63 -0.04 3.32 1.01 -0.68 -4.98 116.67 119.41 2obx s ASP 48 Ca -0.12 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 52.72 2obx s ASP 48 Cb -0.17 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.24 2obx s ASP 48 CO 0.05 0.17 -0.02 -0.69 0.21 0.00 0.00 175.17 174.89 2obx s VAL 49 N 0.30 4.03 -0.05 -1.27 1.01 -1.26 -0.36 120.40 122.80 2obx s VAL 49 Ca -0.13 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2obx s VAL 49 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2obx s VAL 49 CO 0.07 0.51 -0.11 -0.36 0.00 0.00 0.00 175.10 175.21 2obx s PHE 50 N -0.94 1.25 0.01 5.22 0.40 0.86 -4.94 117.98 119.83 2obx s PHE 50 Ca 0.15 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.88 2obx s PHE 50 Cb -0.11 -0.92 -0.06 0.00 0.51 0.00 0.00 43.02 42.44 2obx s PHE 50 CO 0.05 -0.21 0.57 -0.51 0.70 0.00 0.00 175.22 175.82 2obx s ASP 51 N 0.51 6.96 0.00 1.36 1.01 -1.26 -1.90 116.67 123.36 2obx s ASP 51 Ca -0.10 1.15 0.01 0.00 0.71 0.00 0.00 52.55 54.32 2obx s ASP 51 Cb -0.13 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 2obx s ASP 51 CO 0.02 0.15 -0.05 -0.69 0.21 0.00 0.00 175.17 174.81 2obx s VAL 52 N -0.40 0.35 0.04 -1.27 1.01 -0.70 -4.97 120.40 114.46 2obx s VAL 52 Ca 0.30 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 2obx s VAL 52 Cb -0.18 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 2obx s VAL 52 CO 0.17 0.01 1.17 -0.65 0.00 0.00 0.00 175.10 175.79 2obx h PRO 53 N 5.79 -0.08 0.00 2.72 0.11 -1.93 -0.52 132.00 138.09 2obx h PRO 53 Ca -0.28 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.36 2obx h PRO 53 Cb 1.20 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 2obx h PRO 53 CO 0.49 -0.06 -0.45 0.41 -0.21 0.00 0.00 178.00 178.18 2obx n GLY 54 N -1.10 3.00 0.37 -0.55 0.00 -1.26 -1.95 105.19 103.69 2obx n GLY 54 Ca -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 1.98 1.39 -0.43 4.61 0.00 -1.91 -2.72 119.26 122.18 2obx h ALA 55 Ca -0.24 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.75 2obx h ALA 55 Cb 1.15 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2obx h ALA 55 CO 0.35 0.54 0.33 -0.92 0.00 0.00 0.00 179.25 179.56 2obx h TYR 56 N 1.18 0.00 -0.00 0.00 3.20 -1.97 0.14 116.97 119.52 2obx h TYR 56 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2obx h TYR 56 Cb -0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2obx h TYR 56 CO -0.00 0.00 -0.10 0.39 -1.64 0.00 0.00 178.16 176.81 2obx n GLU 57 N -4.25 0.81 -0.07 1.82 4.71 -1.02 -4.28 120.64 118.35 2obx n GLU 57 Ca 0.07 -0.30 -0.12 0.00 -0.01 0.00 0.00 57.16 56.81 2obx n GLU 57 Cb 0.53 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 29.42 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 0.72 1.27 -0.62 -3.67 2.04 -0.82 -3.06 117.51 113.38 2obx h ILE 58 Ca 0.00 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 64.94 2obx h ILE 58 Cb 0.35 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2obx h ILE 58 CO 0.00 0.30 0.33 -0.65 0.00 0.00 0.00 178.15 178.13 2obx h PRO 59 N 0.14 0.59 -0.20 2.37 0.11 -1.75 0.13 132.00 133.39 2obx h PRO 59 Ca 0.06 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 2obx h PRO 59 Cb 0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2obx h PRO 59 CO 0.02 0.39 -0.43 1.25 -0.21 0.00 0.00 178.00 179.02 2obx h LEU 60 N 0.61 0.52 -0.41 2.35 5.85 -1.84 -1.72 115.31 120.67 2obx h LEU 60 Ca 0.28 -0.24 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 2obx h LEU 60 Cb 0.19 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2obx h LEU 60 CO -0.19 0.89 -0.45 -0.74 -0.34 0.00 0.00 178.44 177.61 2obx h HIS 61 N 0.40 1.04 -0.65 1.25 2.76 -1.33 -1.25 115.15 117.37 2obx h HIS 61 Ca 0.03 -0.33 0.01 0.00 -2.20 0.00 0.00 60.37 57.88 2obx h HIS 61 Cb 0.92 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.64 2obx h HIS 61 CO 0.03 1.14 0.43 0.00 -1.30 0.00 0.00 177.93 178.23 2obx h ALA 62 N 0.80 0.82 0.75 5.26 0.00 -0.62 -0.32 119.26 125.96 2obx h ALA 62 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2obx h ALA 62 Cb 1.03 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2obx h ALA 62 CO 0.10 0.24 -0.36 -0.09 0.00 0.00 0.00 179.25 179.14 2obx h ARG 63 N 0.87 -0.97 -0.31 0.00 2.43 -1.15 0.16 114.38 115.41 2obx h ARG 63 Ca 0.24 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.54 2obx h ARG 63 Cb -0.09 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 2obx h ARG 63 CO -0.05 -0.63 -0.29 1.15 -1.51 0.00 0.00 179.97 178.64 2obx h THR 64 N -1.09 0.30 -0.10 0.20 2.02 -1.10 0.21 112.91 113.34 2obx h THR 64 Ca -0.10 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2obx h THR 64 Cb 0.79 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2obx h THR 64 CO 0.17 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.87 2obx h LEU 65 N -0.26 -0.37 -0.19 2.58 3.38 -1.01 -2.82 115.31 116.62 2obx h LEU 65 Ca 0.15 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2obx h LEU 65 Cb 0.51 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 2obx h LEU 65 CO -0.46 -0.16 -0.25 0.00 0.09 0.00 0.00 178.44 177.66 2obx h ALA 66 N 0.91 -0.19 0.00 1.53 0.00 0.40 -2.00 119.26 119.91 2obx h ALA 66 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2obx h ALA 66 Cb 0.27 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2obx h ALA 66 CO -0.19 -0.69 0.02 0.39 0.00 0.00 0.00 179.25 178.77 2obx n GLU 67 N -5.38 0.00 0.03 0.00 1.02 0.62 -0.39 120.64 116.55 2obx n GLU 67 Ca -0.02 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 2obx n GLU 67 Cb 0.29 -1.52 0.29 0.00 -0.02 0.00 0.00 31.44 30.48 2obx n GLU 67 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2obx n THR 68 N -1.17 0.15 -1.26 2.62 -2.24 -0.75 -4.93 114.28 106.69 2obx n THR 68 Ca 0.00 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2obx n THR 68 Cb 0.02 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 2obx n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2obx n GLY 69 N 1.43 0.97 0.15 3.38 0.00 0.48 -4.85 105.19 106.75 2obx n GLY 69 Ca 0.05 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.49 0.40 -4.95 1.61 1.74 -1.26 -4.91 116.66 107.79 2obx n ARG 70 Ca -0.09 -0.31 -0.32 0.00 -0.77 0.00 0.00 57.85 56.36 2obx n ARG 70 Cb 0.45 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.81 2.66 -0.14 -1.55 1.51 -1.26 -4.33 117.35 111.42 2obx s TYR 71 Ca 0.13 -0.40 0.22 0.00 -1.01 0.00 0.00 57.07 56.01 2obx s TYR 71 Cb 0.17 -1.67 0.54 0.00 -0.11 0.00 0.00 41.96 40.89 2obx s TYR 71 CO 0.72 -0.00 1.66 0.78 -1.11 0.00 0.00 175.55 177.61 2obx h GLY 72 N 5.83 0.00 -1.77 0.71 0.00 -1.10 -3.47 103.07 103.27 2obx h GLY 72 Ca -0.38 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.05 2obx h GLY 72 CO 0.51 0.00 0.39 0.00 0.00 0.00 0.00 176.54 177.44 2obx s ALA 73 N -3.31 -1.31 -0.01 3.60 0.00 -1.25 -4.42 121.76 115.07 2obx s ALA 73 Ca 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2obx s ALA 73 Cb 0.08 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2obx s ALA 73 CO 0.67 -1.03 0.02 0.08 0.00 0.00 0.00 175.76 175.50 2obx s VAL 74 N -2.95 -0.02 -0.29 0.00 1.01 -0.59 -2.09 120.40 115.47 2obx s VAL 74 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2obx s VAL 74 Cb -0.04 -0.05 0.06 0.00 0.00 0.00 0.00 36.38 36.35 2obx s VAL 74 CO 0.06 0.03 -0.02 -0.22 0.00 0.00 0.00 175.10 174.95 2obx s LEU 75 N 0.36 3.86 -0.30 3.92 2.96 0.90 -0.46 118.68 129.92 2obx s LEU 75 Ca -0.03 -1.41 -0.12 0.00 -0.22 0.00 0.00 54.13 52.35 2obx s LEU 75 Cb -0.04 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2obx s LEU 75 CO -0.01 -0.26 0.23 -0.83 -1.32 0.00 0.00 176.35 174.16 2obx s GLY 76 N 1.21 1.94 -0.03 7.98 0.00 -0.94 0.71 107.32 118.19 2obx s GLY 76 Ca -0.05 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.54 2obx s GLY 76 CO -0.03 0.74 -0.13 -1.08 0.00 0.00 0.00 173.10 172.60 2obx s THR 77 N 1.79 1.08 0.17 0.90 -1.32 -0.49 -0.99 115.64 116.78 2obx s THR 77 Ca 0.08 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 59.79 2obx s THR 77 Cb -0.16 -0.94 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 2obx s THR 77 CO 0.11 0.32 0.78 0.00 -2.21 0.00 0.00 174.62 173.62 2obx s ALA 78 N 0.10 -1.53 -0.19 11.08 0.00 -0.53 -2.02 121.76 128.68 2obx s ALA 78 Ca -0.03 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 2obx s ALA 78 Cb -0.10 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2obx s ALA 78 CO 0.01 -0.91 -0.09 0.12 0.00 0.00 0.00 175.76 174.89 2obx s PHE 79 N -3.58 2.89 -0.37 0.00 5.99 -1.26 -1.36 117.98 120.29 2obx s PHE 79 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 56.93 56.05 2obx s PHE 79 Cb -0.03 -2.01 0.11 0.00 0.00 0.00 0.00 43.02 41.09 2obx s PHE 79 CO -0.02 -0.50 0.13 0.08 -0.00 0.00 0.00 175.22 174.90 2obx s VAL 80 N 1.16 1.60 0.17 3.12 1.01 -0.49 -4.88 120.40 122.09 2obx s VAL 80 Ca 0.02 -2.13 0.07 0.00 0.00 0.00 0.00 61.98 59.94 2obx s VAL 80 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2obx s VAL 80 CO -0.03 -0.71 0.00 0.68 0.00 0.00 0.00 175.10 175.05 2obx s VAL 81 N 0.94 3.75 -0.62 2.92 -7.23 -1.26 -4.27 120.40 114.63 2obx s VAL 81 Ca 0.12 -1.38 -0.28 0.00 -1.81 0.00 0.00 61.98 58.63 2obx s VAL 81 Cb -0.20 -2.88 0.03 0.00 0.56 0.00 0.00 36.38 33.89 2obx s VAL 81 CO -0.12 -0.09 1.24 0.21 -0.31 0.00 0.00 175.10 176.03 2obx s ASN 82 N -2.89 6.34 0.00 4.85 2.47 -1.26 -4.81 114.94 119.64 2obx s ASN 82 Ca 0.27 -0.02 0.15 0.00 0.42 0.00 0.00 52.86 53.68 2obx s ASN 82 Cb -0.09 -2.55 0.91 0.00 -1.45 0.00 0.00 41.25 38.06 2obx s ASN 82 CO 0.19 -1.60 1.50 0.61 -3.72 0.00 0.00 177.10 174.07 2obx n GLY 83 N 5.16 -0.88 1.87 1.21 0.00 -1.26 -4.75 105.19 106.53 2obx n GLY 83 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.59 1.93 0.48 -0.02 0.00 -1.26 -4.86 105.19 102.05 2obx n GLY 84 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 1.39 -3.85 -0.61 5.41 -1.26 -5.07 119.36 113.37 2obx n ILE 85 Ca 0.00 0.24 -0.21 0.00 1.00 0.00 0.00 62.75 63.78 2obx n ILE 85 Cb 0.00 -2.04 -0.04 0.00 -0.71 0.00 0.00 39.64 36.86 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 -2.54 2.93 0.04 1.39 1.51 -1.26 -5.10 117.35 114.31 2obx s TYR 86 Ca -0.17 -0.28 -0.22 0.00 -1.01 0.00 0.00 57.07 55.38 2obx s TYR 86 Cb 0.02 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 40.07 2obx s TYR 86 CO 0.26 0.23 0.67 1.03 -1.11 0.00 0.00 175.55 176.63 2obx s ARG 87 N -3.98 4.40 0.00 -0.62 0.52 -1.26 -4.50 118.95 113.51 2obx s ARG 87 Ca 0.40 0.90 0.19 0.00 -0.52 0.00 0.00 55.73 56.69 2obx s ARG 87 Cb -0.06 -3.33 0.12 0.00 0.52 0.00 0.00 34.95 32.20 2obx s ARG 87 CO 0.26 0.38 1.06 -2.39 0.02 0.00 0.00 175.30 174.64 2obx n HIS 88 N 2.55 0.00 -0.11 -0.53 1.44 -1.26 -4.59 115.22 112.71 2obx n HIS 88 Ca -0.05 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.54 2obx n HIS 88 Cb 0.50 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.58 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 3.36 0.64 -0.86 -1.40 3.07 -1.97 -2.55 114.58 114.87 2obx h GLU 89 Ca 0.00 -0.26 0.05 0.00 -0.50 0.00 0.00 59.36 58.65 2obx h GLU 89 Cb 0.75 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.57 2obx h GLU 89 CO 0.00 0.84 0.54 0.74 -1.40 0.00 0.00 179.01 179.73 2obx h PHE 90 N 0.41 1.01 -0.14 4.33 -1.00 -1.99 0.11 116.94 119.66 2obx h PHE 90 Ca 0.08 0.03 -0.19 0.00 2.81 0.00 0.00 57.97 60.70 2obx h PHE 90 Cb 0.62 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.86 2obx h PHE 90 CO 0.06 0.55 -0.64 0.28 -1.61 0.00 0.00 178.31 176.94 2obx h VAL 91 N 1.02 1.31 0.65 -0.55 2.07 -1.85 -1.43 116.25 117.47 2obx h VAL 91 Ca 0.36 -1.89 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 2obx h VAL 91 Cb 0.09 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2obx h VAL 91 CO -0.14 0.59 -0.38 0.00 0.02 0.00 0.00 177.57 177.65 2obx h ALA 92 N 0.53 -0.98 -0.70 1.67 0.00 -1.18 -0.64 119.26 117.96 2obx h ALA 92 Ca -0.04 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.82 2obx h ALA 92 Cb 1.28 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 19.40 2obx h ALA 92 CO 0.13 -1.06 -0.03 1.03 0.00 0.00 0.00 179.25 179.32 2obx h SER 93 N -0.96 -0.38 0.96 0.00 0.87 -0.84 0.29 113.55 113.50 2obx h SER 93 Ca -0.08 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2obx h SER 93 Cb 0.77 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2obx h SER 93 CO 0.09 -0.17 -0.05 0.00 -0.53 0.00 0.00 176.83 176.18 2obx h ALA 94 N 1.66 1.02 0.03 6.23 0.00 -0.99 -0.53 119.26 126.68 2obx h ALA 94 Ca 0.37 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 2obx h ALA 94 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2obx h ALA 94 CO -0.63 0.06 -1.04 0.28 0.00 0.00 0.00 179.25 177.91 2obx h VAL 95 N 0.00 1.13 -0.70 0.00 2.07 0.10 -2.30 116.25 116.55 2obx h VAL 95 Ca -0.00 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 2obx h VAL 95 Cb 0.54 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2obx h VAL 95 CO 0.01 0.49 0.38 0.40 0.02 0.00 0.00 177.57 178.86 2obx h ILE 96 N -0.80 1.21 -0.08 4.57 5.03 -0.76 -1.64 117.51 125.04 2obx h ILE 96 Ca -0.26 -0.53 -0.13 0.00 -0.12 0.00 0.00 64.86 63.81 2obx h ILE 96 Cb 1.37 0.27 0.01 0.00 -3.03 0.00 0.00 36.82 35.44 2obx h ILE 96 CO -0.09 0.23 -0.47 0.44 -0.68 0.00 0.00 178.15 177.58 2obx h ASP 97 N 0.97 0.55 -0.80 1.72 3.32 -1.23 -3.18 116.42 117.77 2obx h ASP 97 Ca 0.25 -0.66 0.06 0.00 0.02 0.00 0.00 57.03 56.70 2obx h ASP 97 Cb 0.03 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2obx h ASP 97 CO -0.04 1.13 0.52 1.23 -1.72 0.00 0.00 179.24 180.36 2obx h GLY 98 N 0.02 1.10 1.28 2.75 0.00 -1.08 -0.14 103.07 107.00 2obx h GLY 98 Ca -0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 2obx h GLY 98 CO 0.10 0.26 -0.11 -0.33 0.00 0.00 0.00 176.54 176.46 2obx h MET 99 N 0.87 0.85 -0.75 4.80 2.86 -1.37 0.07 114.93 122.25 2obx h MET 99 Ca 0.34 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2obx h MET 99 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2obx h MET 99 CO -0.12 0.91 0.34 1.98 1.06 0.00 0.00 176.91 181.08 2obx h MET 100 N 0.76 1.10 -0.16 1.72 -1.53 -1.19 -1.00 114.93 114.63 2obx h MET 100 Ca 0.13 -0.18 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2obx h MET 100 Cb 0.61 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 2obx h MET 100 CO 0.04 0.87 0.10 -0.97 0.14 0.00 0.00 176.91 177.09 2obx h ASN 101 N 1.07 0.19 -0.07 1.39 -0.73 -0.59 -2.03 115.58 114.81 2obx h ASN 101 Ca 0.25 -0.05 0.01 0.00 1.87 0.00 0.00 56.30 58.39 2obx h ASN 101 Cb 0.15 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 2obx h ASN 101 CO -0.03 0.18 0.01 0.58 -0.37 0.00 0.00 177.43 177.80 2obx h VAL 102 N 0.18 0.97 -0.25 2.57 2.07 -0.43 -1.73 116.25 119.64 2obx h VAL 102 Ca 0.06 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 2obx h VAL 102 Cb 0.02 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2obx h VAL 102 CO -0.01 0.01 -0.25 0.06 0.02 0.00 0.00 177.57 177.39 2obx h GLN 103 N 0.04 0.48 -0.39 1.57 3.07 -1.17 -0.45 115.11 118.25 2obx h GLN 103 Ca 0.03 -0.18 -0.11 0.00 0.09 0.00 0.00 58.65 58.48 2obx h GLN 103 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2obx h GLN 103 CO -0.04 0.70 -0.20 -0.07 0.09 0.00 0.00 178.83 179.31 2obx h LEU 104 N 0.42 0.86 -0.30 0.06 3.38 -1.18 0.78 115.31 119.33 2obx h LEU 104 Ca 0.06 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.43 2obx h LEU 104 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2obx h LEU 104 CO 0.05 1.07 -0.87 0.77 0.09 0.00 0.00 178.44 179.56 2obx h SER 105 N 0.64 0.17 0.31 -0.43 4.64 -1.23 -3.33 113.55 114.31 2obx h SER 105 Ca 0.09 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 2obx h SER 105 Cb 0.75 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2obx h SER 105 CO 0.06 0.95 -1.81 0.35 -0.87 0.00 0.00 176.83 175.51 2obx n THR 106 N -3.62 0.70 -0.55 2.95 -2.24 -0.19 -4.98 114.28 106.36 2obx n THR 106 Ca -0.03 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2obx n THR 106 Cb 0.81 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.40 1.61 3.65 3.38 0.00 0.27 -5.00 105.19 110.49 2obx n GLY 107 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.44 4.99 0.34 1.61 1.01 -1.23 -5.01 120.40 118.67 2obx s VAL 108 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 2obx s VAL 108 Cb 0.00 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 2obx s VAL 108 CO 0.00 0.06 1.43 -2.65 0.00 0.00 0.00 175.10 173.94 2obx n PRO 109 N 5.35 2.42 -3.94 2.72 -0.02 -1.26 -4.26 135.00 136.00 2obx n PRO 109 Ca -0.00 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 62.02 2obx n PRO 109 Cb 0.49 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 2obx n PRO 109 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2obx s VAL 110 N -0.80 1.63 0.19 -1.45 1.01 -1.26 -1.54 120.40 118.17 2obx s VAL 110 Ca 0.57 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2obx s VAL 110 Cb -0.53 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 2obx s VAL 110 CO 0.59 -0.21 0.65 -0.76 0.00 0.00 0.00 175.10 175.36 2obx s LEU 111 N 1.32 4.34 -0.17 3.92 1.02 0.39 -4.94 118.68 124.56 2obx s LEU 111 Ca -0.02 1.27 -0.04 0.00 0.02 0.00 0.00 54.13 55.35 2obx s LEU 111 Cb -0.19 -3.45 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 2obx s LEU 111 CO -0.08 0.06 -0.03 -0.55 0.02 0.00 0.00 176.35 175.77 2obx s SER 112 N -1.69 4.75 -0.16 2.29 0.15 -1.26 -2.21 113.70 115.58 2obx s SER 112 Ca 0.41 -0.17 0.17 0.00 0.70 0.00 0.00 55.95 57.06 2obx s SER 112 Cb -0.16 -1.79 0.44 0.00 -1.71 0.00 0.00 66.02 62.81 2obx s SER 112 CO 0.20 0.13 1.18 0.00 1.20 0.00 0.00 173.24 175.95 2obx n ALA 113 N 3.78 3.26 -3.23 5.45 0.00 -0.16 -4.95 120.51 124.66 2obx n ALA 113 Ca -0.17 -2.97 -0.46 0.00 0.00 0.00 0.00 53.44 49.84 2obx n ALA 113 Cb 0.52 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.44 5.41 0.18 0.00 1.01 -1.21 -1.45 120.40 121.89 2obx s VAL 114 Ca 0.37 -2.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.01 2obx s VAL 114 Cb 0.38 -4.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 2obx s VAL 114 CO -0.08 -1.15 0.43 -0.76 0.00 0.00 0.00 175.10 173.53 2obx s LEU 115 N 0.74 4.22 -0.16 3.92 2.01 -0.47 -4.88 118.68 124.06 2obx s LEU 115 Ca 0.22 0.65 -0.02 0.00 0.01 0.00 0.00 54.13 54.99 2obx s LEU 115 Cb -0.09 -3.40 0.05 0.00 0.01 0.00 0.00 46.19 42.77 2obx s LEU 115 CO -0.09 -0.00 -0.00 -0.89 1.01 0.00 0.00 176.35 176.37 2obx s THR 116 N -1.75 0.75 0.47 5.49 2.01 -1.26 -1.40 115.64 119.95 2obx s THR 116 Ca 0.42 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 2obx s THR 116 Cb -0.12 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.25 2obx s THR 116 CO 0.25 -0.00 0.90 -2.16 -0.69 0.00 0.00 174.62 172.91 2obx s PRO 117 N 1.78 3.86 0.13 4.92 0.04 -1.26 -4.99 135.00 139.48 2obx s PRO 117 Ca 0.00 0.74 -0.15 0.00 0.04 0.00 0.00 61.00 61.63 2obx s PRO 117 Cb -0.16 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 2obx s PRO 117 CO -0.07 -0.18 1.65 0.45 0.04 0.00 0.00 177.00 178.89 2obx h HIS 118 N 1.00 0.69 -3.51 0.56 3.86 -2.01 -3.44 115.15 112.30 2obx h HIS 118 Ca -0.47 -0.07 -0.33 0.00 -1.16 0.00 0.00 60.37 58.34 2obx h HIS 118 Cb 1.19 -0.20 -0.34 0.00 1.06 0.00 0.00 27.41 29.12 2obx h HIS 118 CO 0.63 0.63 -0.74 -0.80 0.86 0.00 0.00 177.93 178.51 2obx s ASN 119 N -5.98 0.29 -0.20 2.45 -0.87 -1.26 -4.96 114.94 104.41 2obx s ASN 119 Ca -0.13 -0.00 -0.06 0.00 -1.57 0.00 0.00 52.86 51.10 2obx s ASN 119 Cb 0.10 -0.17 0.10 0.00 -0.02 0.00 0.00 41.25 41.27 2obx s ASN 119 CO 0.77 -0.11 0.39 -0.47 -2.57 0.00 0.00 177.10 175.11 2obx s TYR 120 N 1.00 -0.76 -0.26 2.20 5.04 -1.26 -5.03 117.35 118.27 2obx s TYR 120 Ca -0.09 1.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.86 2obx s TYR 120 Cb -0.13 0.20 0.08 0.00 0.35 0.00 0.00 41.96 42.46 2obx s TYR 120 CO -0.02 -0.53 1.05 0.72 -1.34 0.00 0.00 175.55 175.43 2obx n HIS 121 N 5.38 0.12 -2.95 4.97 8.25 -1.26 -4.79 115.22 124.94 2obx n HIS 121 Ca -0.07 -0.48 -0.20 0.00 -0.26 0.00 0.00 57.72 56.71 2obx n HIS 121 Cb 0.50 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.20 -4.69 -4.67 0.41 -0.08 -1.26 -4.96 116.55 101.10 2obx n ASP 122 Ca 0.03 -0.19 -0.25 0.00 -1.51 0.00 0.00 54.79 52.87 2obx n ASP 122 Cb 0.29 -3.87 0.11 0.00 2.34 0.00 0.00 41.12 39.99 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 -2.49 4.32 0.11 1.67 1.04 -1.26 -4.87 113.70 112.22 2obx s SER 123 Ca 0.24 0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.51 2obx s SER 123 Cb -0.12 -0.52 -0.08 0.00 0.10 0.00 0.00 66.02 65.41 2obx s SER 123 CO 0.30 -1.90 1.68 0.00 0.98 0.00 0.00 173.24 174.30 2obx h ALA 124 N -0.74 -0.15 -0.37 5.32 0.00 -2.00 -2.62 119.26 118.69 2obx h ALA 124 Ca -0.41 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2obx h ALA 124 Cb 1.28 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2obx h ALA 124 CO 0.47 -0.62 0.18 0.93 0.00 0.00 0.00 179.25 180.21 2obx h GLU 125 N -0.22 0.54 0.16 0.00 3.07 -2.00 -2.86 114.58 113.26 2obx h GLU 125 Ca 0.05 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2obx h GLU 125 Cb 0.28 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2obx h GLU 125 CO -0.13 0.49 -0.08 0.45 -1.40 0.00 0.00 179.01 178.34 2obx h HIS 126 N 0.46 -0.19 -0.53 4.33 3.86 -1.94 -1.95 115.15 119.19 2obx h HIS 126 Ca 0.13 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.44 2obx h HIS 126 Cb 0.13 0.06 -0.10 0.00 1.06 0.00 0.00 27.41 28.56 2obx h HIS 126 CO -0.01 -0.07 -0.13 1.25 0.86 0.00 0.00 177.93 179.83 2obx h HIS 127 N -0.27 -0.27 -0.72 2.45 -0.00 -1.48 -0.13 115.15 114.73 2obx h HIS 127 Ca -0.02 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 2obx h HIS 127 Cb 0.21 0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 2obx h HIS 127 CO -0.05 -0.22 0.34 -0.09 -0.00 0.00 0.00 177.93 177.91 2obx h ARG 128 N 0.00 1.02 -0.39 5.26 2.43 -1.41 0.57 114.38 121.86 2obx h ARG 128 Ca 0.25 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2obx h ARG 128 Cb 0.39 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2obx h ARG 128 CO -0.54 0.79 0.19 0.35 -1.51 0.00 0.00 179.97 179.25 2obx h PHE 129 N 1.02 0.57 0.00 2.20 3.57 -0.24 -2.37 116.94 121.69 2obx h PHE 129 Ca 0.25 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2obx h PHE 129 Cb 0.10 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2obx h PHE 129 CO 0.01 0.47 -0.69 0.74 -2.23 0.00 0.00 178.31 176.62 2obx h PHE 130 N 0.50 0.00 -0.63 0.41 -1.00 -1.28 -1.73 116.94 113.20 2obx h PHE 130 Ca 0.14 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 2obx h PHE 130 Cb 0.12 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 2obx h PHE 130 CO -0.01 0.21 0.19 0.35 -1.61 0.00 0.00 178.31 177.44 2obx h PHE 131 N 0.00 0.99 0.00 -0.55 3.57 -0.78 -0.84 116.94 119.34 2obx h PHE 131 Ca -0.03 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2obx h PHE 131 Cb 1.18 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 2obx h PHE 131 CO 0.00 0.80 -0.07 0.93 -2.23 0.00 0.00 178.31 177.73 2obx h GLU 132 N 0.93 0.01 -0.96 1.11 5.08 -1.44 -3.36 114.58 115.95 2obx h GLU 132 Ca 0.21 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 2obx h GLU 132 Cb 0.27 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 2obx h GLU 132 CO -0.01 1.01 0.60 1.25 -1.00 0.00 0.00 179.01 180.86 2obx h HIS 133 N -0.98 1.09 0.00 4.33 2.76 -1.24 -0.10 115.15 121.02 2obx h HIS 133 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2obx h HIS 133 Cb 1.03 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2obx h HIS 133 CO 0.27 0.47 0.10 0.74 -1.30 0.00 0.00 177.93 178.21 2obx h PHE 134 N 0.99 0.00 -0.08 5.26 -1.00 -1.30 0.41 116.94 121.23 2obx h PHE 134 Ca 0.46 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 61.13 2obx h PHE 134 Cb 0.38 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.94 2obx h PHE 134 CO -0.02 0.00 -0.38 1.15 -1.61 0.00 0.00 178.31 177.45 2obx h THR 135 N 0.00 1.41 -0.30 -1.55 2.02 -1.18 0.35 112.91 113.66 2obx h THR 135 Ca 0.00 -1.77 0.03 0.00 0.77 0.00 0.00 66.41 65.44 2obx h THR 135 Cb 0.20 2.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 2obx h THR 135 CO 0.00 0.51 0.11 0.58 0.37 0.00 0.00 175.52 177.10 2obx h VAL 136 N -0.08 0.93 -0.82 3.16 2.07 -0.29 -1.96 116.25 119.26 2obx h VAL 136 Ca -0.03 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2obx h VAL 136 Cb 1.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2obx h VAL 136 CO 0.08 0.05 0.48 0.11 0.02 0.00 0.00 177.57 178.30 2obx h LYS 137 N 0.25 1.12 -0.64 1.57 1.79 -1.22 -1.69 116.57 117.75 2obx h LYS 137 Ca 0.13 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2obx h LYS 137 Cb 0.09 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 2obx h LYS 137 CO -0.13 0.81 0.37 0.78 -1.08 0.00 0.00 179.45 180.20 2obx h GLY 138 N 1.13 0.92 2.00 3.86 0.00 -0.32 0.04 103.07 110.70 2obx h GLY 138 Ca 0.29 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 2obx h GLY 138 CO -0.05 0.37 -0.75 0.50 0.00 0.00 0.00 176.54 176.60 2obx h LYS 139 N 0.88 0.00 -0.18 4.80 1.57 -0.86 -2.38 116.57 120.40 2obx h LYS 139 Ca 0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2obx h LYS 139 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2obx h LYS 139 CO -0.04 0.75 -0.13 0.93 -0.57 0.00 0.00 179.45 180.39 2obx h GLU 140 N 0.00 0.41 -0.22 3.15 5.08 -0.59 -2.20 114.58 120.21 2obx h GLU 140 Ca -0.01 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2obx h GLU 140 Cb 1.35 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2obx h GLU 140 CO 0.10 0.74 0.07 0.00 -1.00 0.00 0.00 179.01 178.92 2obx h ALA 141 N 0.66 1.71 -0.16 3.43 0.00 -1.00 0.74 119.26 124.64 2obx h ALA 141 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2obx h ALA 141 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2obx h ALA 141 CO 0.04 0.23 0.05 0.00 0.00 0.00 0.00 179.25 179.57 2obx h ALA 142 N 1.77 0.21 -0.20 0.00 0.00 -1.13 -0.53 119.26 119.39 2obx h ALA 142 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2obx h ALA 142 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2obx h ALA 142 CO -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 2obx h ARG 143 N 0.08 0.36 -0.98 0.00 3.08 -0.78 -2.65 114.38 113.49 2obx h ARG 143 Ca 0.05 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.08 2obx h ARG 143 Cb 0.23 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 2obx h ARG 143 CO -0.00 0.59 0.62 0.00 -1.07 0.00 0.00 179.97 180.11 2obx h ALA 144 N 0.76 1.53 -0.19 0.04 0.00 -0.83 -0.75 119.26 119.81 2obx h ALA 144 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2obx h ALA 144 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2obx h ALA 144 CO 0.01 0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.61 2obx h VAL 146 N 0.16 1.26 -0.31 0.00 2.07 -1.09 -3.02 116.25 115.33 2obx h VAL 146 Ca 0.06 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2obx h VAL 146 Cb 0.17 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2obx h VAL 146 CO -0.01 0.32 0.18 -0.33 0.02 0.00 0.00 177.57 177.75 2obx h GLU 147 N 0.37 0.42 -0.46 1.57 5.08 -1.11 -2.43 114.58 118.02 2obx h GLU 147 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2obx h GLU 147 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2obx h GLU 147 CO 0.02 0.34 0.27 0.97 -1.00 0.00 0.00 179.01 179.61 2obx h ILE 148 N 0.38 1.15 -0.10 3.13 6.09 -1.38 0.21 117.51 126.98 2obx h ILE 148 Ca 0.11 -0.35 -0.02 0.00 -1.37 0.00 0.00 64.86 63.23 2obx h ILE 148 Cb 0.04 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 37.87 2obx h ILE 148 CO -0.02 0.15 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.10 2obx h LEU 149 N 0.61 0.13 0.10 2.19 3.38 -1.43 -0.35 115.31 119.94 2obx h LEU 149 Ca 0.16 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.83 2obx h LEU 149 Cb 0.01 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.75 2obx h LEU 149 CO -0.03 0.20 -1.24 0.00 0.09 0.00 0.00 178.44 177.46 2obx h ALA 150 N 1.82 0.03 -0.55 1.53 0.00 -0.86 -1.85 119.26 119.38 2obx h ALA 150 Ca 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2obx h ALA 150 Cb 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2obx h ALA 150 CO 0.01 0.75 0.19 0.00 0.00 0.00 0.00 179.25 180.19 2obx h ALA 151 N 0.37 1.30 0.00 0.00 0.00 0.06 -1.07 119.26 119.92 2obx h ALA 151 Ca -0.18 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2obx h ALA 151 Cb 1.92 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2obx h ALA 151 CO 0.23 0.51 -0.50 0.00 0.00 0.00 0.00 179.25 179.49 2obx h ARG 152 N 0.79 0.00 0.00 0.00 3.08 -1.10 -2.89 114.38 114.27 2obx h ARG 152 Ca 0.18 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2obx h ARG 152 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2obx h ARG 152 CO -0.01 0.50 -0.20 1.49 -1.07 0.00 0.00 179.97 180.68 2obx h GLU 153 N 0.00 0.00 -1.03 0.04 4.57 -0.33 -2.72 114.58 115.11 2obx h GLU 153 Ca -0.01 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.71 2obx h GLU 153 Cb 1.24 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.57 2obx h GLU 153 CO 0.07 0.20 0.59 1.63 -1.18 0.00 0.00 179.01 180.31 2obx n LYS 154 N -3.65 2.12 -4.56 1.92 4.01 -0.86 -4.88 118.16 112.27 2obx n LYS 154 Ca -0.01 -2.56 -0.23 0.00 -0.51 0.00 0.00 58.31 54.99 2obx n LYS 154 Cb 0.33 -2.01 -0.16 0.00 -0.51 0.00 0.00 35.03 32.68 2obx n LYS 154 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2obx s ILE 155 N -3.01 1.06 -1.08 -0.18 1.01 -1.03 -5.06 121.20 112.90 2obx s ILE 155 Ca 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2obx s ILE 155 Cb 0.41 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2obx s ILE 155 CO 0.07 0.32 0.27 0.00 0.00 0.00 0.00 174.94 175.61