#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opu s SER 6 N 0.00 2.71 0.85 9.51 1.04 -1.26 -4.93 113.70 121.63 2opu s SER 6 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2opu s SER 6 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2opu s SER 6 CO 0.00 -0.05 0.00 -1.20 0.98 0.00 0.00 173.24 172.97 2opu n SER 7 N 0.18 -0.84 0.00 7.02 7.64 0.71 -4.80 113.62 123.53 2opu n SER 7 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2opu n SER 7 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2opu n SER 7 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2opu n GLN 8 N 0.00 0.00 0.00 1.43 -0.06 -1.08 -2.72 117.38 114.95 2opu n GLN 8 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2opu n GLN 8 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2opu n GLN 8 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2opu n LEU 9 N 0.00 0.00 0.00 1.69 7.99 0.25 -4.56 117.00 122.37 2opu n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2opu n LEU 9 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2opu n LEU 9 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 2opu n GLY 10 N 0.00 0.88 0.08 -0.72 0.00 -1.26 -1.25 105.19 102.92 2opu n GLY 10 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2opu n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2opu n PRO 11 N 0.00 0.13 -3.77 1.61 -0.02 -1.26 -4.77 135.00 126.92 2opu n PRO 11 Ca 0.00 0.33 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 2opu n PRO 11 Cb 0.00 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2opu n PRO 11 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2opu s ILE 12 N -3.18 4.85 -0.14 4.25 -0.00 -1.26 -5.07 121.20 120.66 2opu s ILE 12 Ca 0.06 -0.97 -0.01 0.00 -0.00 0.00 0.00 60.65 59.74 2opu s ILE 12 Cb 0.10 -3.71 -0.24 0.00 -0.00 0.00 0.00 42.46 38.61 2opu s ILE 12 CO 0.38 -0.28 0.29 1.57 -0.00 0.00 0.00 174.94 176.90 2opu n HIS 13 N -1.51 0.93 -0.84 1.37 -0.00 -1.26 -4.63 115.22 109.29 2opu n HIS 13 Ca -0.06 0.22 -0.28 0.00 -0.00 0.00 0.00 57.72 57.61 2opu n HIS 13 Cb 0.57 -1.13 -0.01 0.00 -0.00 0.00 0.00 29.99 29.43 2opu n HIS 13 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2opu n PRO 14 N -3.34 0.00 -1.40 1.57 -0.02 -1.26 -4.75 135.00 125.80 2opu n PRO 14 Ca -0.32 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.69 2opu n PRO 14 Cb 1.04 -0.63 -0.03 0.00 -0.02 0.00 0.00 33.50 33.87 2opu n PRO 14 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2opu n PRO 15 N 0.77 0.08 -0.23 0.52 -0.02 -1.26 -4.22 135.00 130.65 2opu n PRO 15 Ca 0.08 0.03 -0.01 0.00 -2.02 0.00 0.00 63.50 61.58 2opu n PRO 15 Cb 0.22 -1.05 -0.00 0.00 -0.02 0.00 0.00 33.50 32.65 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2opu n PRO 16 N 1.02 0.00 -0.19 0.52 -0.04 -1.26 -4.09 135.00 130.95 2opu n PRO 16 Ca 0.17 -0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2opu n PRO 16 Cb 0.27 -1.60 0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2opu n PRO 16 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2opu n ARG 17 N 4.07 2.57 0.00 0.54 1.85 -1.26 -2.06 116.66 122.37 2opu n ARG 17 Ca 0.01 -2.28 0.00 0.00 -1.00 0.00 0.00 57.85 54.58 2opu n ARG 17 Cb 0.01 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2opu n THR 18 N -0.43 0.00 1.19 8.89 5.66 -1.26 -4.92 114.28 123.41 2opu n THR 18 Ca 0.13 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.16 2opu n THR 18 Cb 0.57 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.46 2opu n THR 18 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2opu n SER 19 N -0.01 1.35 -1.48 1.09 7.64 -1.26 -3.28 113.62 117.67 2opu n SER 19 Ca 0.00 -2.03 -0.00 0.00 1.01 0.00 0.00 58.87 57.85 2opu n SER 19 Cb 0.00 -0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2opu n SER 19 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2opu n MET 20 N 0.18 0.18 -2.63 1.43 2.81 -0.38 -4.16 117.12 114.54 2opu n MET 20 Ca 0.08 -1.74 -0.43 0.00 -1.81 0.00 0.00 57.70 53.79 2opu n MET 20 Cb 0.23 0.07 -0.02 0.00 -0.71 0.00 0.00 33.22 32.79 2opu n MET 20 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2opu s THR 21 N -0.26 4.47 -0.17 2.03 2.01 -0.47 -4.45 115.64 118.81 2opu s THR 21 Ca 0.21 1.68 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2opu s THR 21 Cb 0.26 -4.43 0.03 0.00 0.01 0.00 0.00 72.50 68.37 2opu s THR 21 CO -0.10 -0.53 -0.13 -0.70 -0.69 0.00 0.00 174.62 172.46 2opu s GLU 22 N 3.75 2.28 -0.46 4.92 2.12 -0.97 -0.58 118.70 129.75 2opu s GLU 22 Ca 0.46 -0.69 -0.22 0.00 0.36 0.00 0.00 54.97 54.87 2opu s GLU 22 Cb -0.12 -2.27 0.03 0.00 0.26 0.00 0.00 34.13 32.03 2opu s GLU 22 CO 0.17 -0.30 0.76 -2.00 -0.54 0.00 0.00 175.26 173.35 2opu s GLU 23 N 1.43 3.35 -0.15 4.30 2.56 -1.10 -0.90 118.70 128.20 2opu s GLU 23 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 54.97 54.59 2opu s GLU 23 Cb -0.14 -3.96 -0.04 0.00 2.00 0.00 0.00 34.13 31.99 2opu s GLU 23 CO -0.10 -1.14 0.48 -0.47 -0.56 0.00 0.00 175.26 173.47 2opu s TYR 24 N 3.22 3.47 -0.62 5.30 6.14 0.65 -0.21 117.35 135.30 2opu s TYR 24 Ca 0.27 0.83 -0.23 0.00 0.64 0.00 0.00 57.07 58.59 2opu s TYR 24 Cb -0.13 -2.57 0.06 0.00 0.42 0.00 0.00 41.96 39.74 2opu s TYR 24 CO 0.21 0.09 0.93 1.03 0.64 0.00 0.00 175.55 178.45 2opu s ARG 25 N 0.92 3.16 -0.17 4.97 0.52 -1.26 -1.30 118.95 125.79 2opu s ARG 25 Ca 0.25 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 2opu s ARG 25 Cb -0.15 -4.18 0.02 0.00 0.52 0.00 0.00 34.95 31.16 2opu s ARG 25 CO 0.10 -1.70 -0.20 0.54 0.02 0.00 0.00 175.30 174.06 2opu s VAL 26 N 3.93 2.02 0.45 3.52 0.11 -0.46 -4.90 120.40 125.07 2opu s VAL 26 Ca 0.23 -0.92 -0.22 0.00 -2.93 0.00 0.00 61.98 58.15 2opu s VAL 26 Cb -0.16 -1.82 -0.11 0.00 -1.53 0.00 0.00 36.38 32.76 2opu s VAL 26 CO 0.12 0.53 0.78 -2.65 -3.33 0.00 0.00 175.10 170.55 2opu n PRO 27 N 4.59 0.91 -0.18 1.54 -0.02 -1.26 -0.33 135.00 140.25 2opu n PRO 27 Ca -0.21 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2opu n PRO 27 Cb 0.50 -1.81 0.26 0.00 -0.02 0.00 0.00 33.50 32.43 2opu n PRO 27 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2opu h ASP 28 N 1.01 0.81 1.34 2.55 2.03 -1.92 0.64 116.42 122.88 2opu h ASP 28 Ca -0.43 -0.04 -0.12 0.00 -0.73 0.00 0.00 57.03 55.71 2opu h ASP 28 Cb 1.37 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 2opu h ASP 28 CO 0.53 0.61 -0.68 1.23 -1.03 0.00 0.00 179.24 179.91 2opu h GLY 29 N 0.97 0.00 2.00 7.15 0.00 -1.99 -2.97 103.07 108.22 2opu h GLY 29 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 2opu h GLY 29 CO -0.05 0.00 -0.65 1.98 0.00 0.00 0.00 176.54 177.82 2opu h MET 30 N 0.00 0.00 -0.00 4.80 -1.53 -1.14 -2.03 114.93 115.03 2opu h MET 30 Ca -0.03 0.00 -0.17 0.00 -3.44 0.00 0.00 59.70 56.06 2opu h MET 30 Cb 1.43 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.46 2opu h MET 30 CO 0.06 0.65 -0.79 -0.24 0.14 0.00 0.00 176.91 176.73 2opu h VAL 31 N 0.00 1.56 -0.12 -5.77 3.04 0.08 0.71 116.25 115.76 2opu h VAL 31 Ca -0.01 -2.70 0.04 0.00 -1.01 0.00 0.00 66.70 63.02 2opu h VAL 31 Cb 1.48 2.46 -0.00 0.00 -2.01 0.00 0.00 31.29 33.21 2opu h VAL 31 CO 0.08 0.77 0.10 1.23 -1.01 0.00 0.00 177.57 178.75 2opu h GLY 32 N 2.34 0.00 1.11 3.17 0.00 -1.27 -2.10 103.07 106.32 2opu h GLY 32 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 2opu h GLY 32 CO 0.10 0.00 -1.20 1.41 0.00 0.00 0.00 176.54 176.86 2opu h LEU 33 N 0.00 0.00 -1.04 3.11 3.38 -0.68 -3.28 115.31 116.80 2opu h LEU 33 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2opu h LEU 33 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2opu h LEU 33 CO -0.00 0.42 -0.40 -0.29 0.09 0.00 0.00 178.44 178.26 2opu h ILE 34 N 0.00 1.04 0.00 1.22 6.09 -0.20 0.01 117.51 125.67 2opu h ILE 34 Ca -0.11 -1.52 0.00 0.00 -1.37 0.00 0.00 64.86 61.86 2opu h ILE 34 Cb 1.42 1.88 0.00 0.00 0.47 0.00 0.00 36.82 40.59 2opu h ILE 34 CO 0.04 0.40 -0.08 2.30 -3.07 0.00 0.00 178.15 177.73 2opu n ILE 35 N -3.69 0.53 0.00 2.19 -5.35 -1.03 -4.00 119.36 108.01 2opu n ILE 35 Ca -0.01 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2opu n ILE 35 Cb 0.49 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 2opu n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2opu n GLY 36 N 1.32 0.29 0.91 3.28 0.00 -0.01 -2.58 105.19 108.39 2opu n GLY 36 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2opu n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2opu n ARG 37 N 0.00 0.85 0.00 1.61 1.85 -1.26 -4.68 116.66 115.03 2opu n ARG 37 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2opu n ARG 37 Cb 0.00 -1.14 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 2opu n ARG 37 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 38 N 0.48 0.71 0.00 2.89 0.00 -1.19 -4.51 105.19 103.57 2opu n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2opu n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opu n GLY 39 N -2.00 0.51 0.33 -0.02 0.00 -1.07 -4.97 105.19 97.97 2opu n GLY 39 Ca 0.00 0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.27 2opu n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opu h GLU 40 N 0.00 0.00 0.26 1.61 4.39 -1.79 -3.15 114.58 115.90 2opu h GLU 40 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2opu h GLU 40 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2opu h GLU 40 CO 0.00 0.00 -0.13 0.37 -1.16 0.00 0.00 179.01 178.09 2opu h GLN 41 N 0.00 -0.34 -0.56 2.33 -0.00 -1.85 0.28 115.11 114.97 2opu h GLN 41 Ca 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.69 2opu h GLN 41 Cb 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.64 2opu h GLN 41 CO -0.00 -0.09 0.37 0.97 0.00 0.00 0.00 178.83 180.09 2opu h ILE 42 N -0.56 1.14 -0.72 2.39 6.09 -1.68 -0.94 117.51 123.24 2opu h ILE 42 Ca -0.04 -0.26 0.01 0.00 -1.37 0.00 0.00 64.86 63.21 2opu h ILE 42 Cb 0.41 0.31 -0.04 0.00 0.47 0.00 0.00 36.82 37.98 2opu h ILE 42 CO 0.06 0.14 0.47 0.78 -3.07 0.00 0.00 178.15 176.53 2opu h ASN 43 N 0.76 0.80 -0.39 2.19 2.35 -1.61 0.14 115.58 119.83 2opu h ASN 43 Ca 0.21 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2opu h ASN 43 Cb -0.08 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2opu h ASN 43 CO -0.05 0.58 0.11 0.50 -1.65 0.00 0.00 177.43 176.92 2opu h LYS 44 N 0.95 0.69 0.00 0.81 3.64 0.29 0.57 116.57 123.52 2opu h LYS 44 Ca 0.27 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2opu h LYS 44 Cb -0.08 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2opu h LYS 44 CO -0.07 0.63 -0.00 0.82 -2.27 0.00 0.00 179.45 178.56 2opu h ILE 45 N 0.67 1.68 -0.56 2.00 1.08 -0.57 -2.33 117.51 119.49 2opu h ILE 45 Ca 0.15 -2.26 -0.04 0.00 -0.39 0.00 0.00 64.86 62.32 2opu h ILE 45 Cb 0.25 3.17 -0.03 0.00 -3.07 0.00 0.00 36.82 37.14 2opu h ILE 45 CO -0.00 0.57 0.19 0.06 -0.69 0.00 0.00 178.15 178.27 2opu h GLN 46 N -1.00 0.82 -0.09 2.37 -0.00 -0.68 0.15 115.11 116.68 2opu h GLN 46 Ca -0.00 -0.14 -0.21 0.00 -0.00 0.00 0.00 58.65 58.30 2opu h GLN 46 Cb 0.93 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.28 2opu h GLN 46 CO -0.00 0.70 -0.80 0.37 -0.00 0.00 0.00 178.83 179.10 2opu h GLN 47 N 0.81 0.59 -0.38 0.06 -0.00 -1.02 0.32 115.11 115.49 2opu h GLN 47 Ca 0.19 -0.51 -0.03 0.00 -0.00 0.00 0.00 58.65 58.30 2opu h GLN 47 Cb 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.79 2opu h GLN 47 CO -0.01 1.13 0.13 0.22 0.00 0.00 0.00 178.83 180.30 2opu h ASP 48 N 0.39 0.55 -0.06 -0.69 3.58 -0.81 -3.16 116.42 116.22 2opu h ASP 48 Ca -0.05 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.13 2opu h ASP 48 Cb 1.41 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2opu h ASP 48 CO 0.15 0.59 -0.26 0.77 -2.88 0.00 0.00 179.24 177.61 2opu h SER 49 N 0.47 0.33 0.00 2.28 4.64 -0.74 -3.48 113.55 117.06 2opu h SER 49 Ca 0.12 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2opu h SER 49 Cb 0.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2opu h SER 49 CO -0.01 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 2opu n GLY 50 N 0.68 1.40 3.77 -0.77 0.00 0.76 -4.67 105.19 106.37 2opu n GLY 50 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2opu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu n LYS 52 N 1.69 3.93 -2.79 0.00 4.76 0.24 -4.24 118.16 121.75 2opu n LYS 52 Ca -0.05 -4.03 -0.42 0.00 -2.87 0.00 0.00 58.31 50.93 2opu n LYS 52 Cb 0.49 -2.75 -0.03 0.00 -1.84 0.00 0.00 35.03 30.90 2opu n LYS 52 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2opu s VAL 53 N -0.87 4.78 -0.20 -0.18 1.01 -1.25 -3.73 120.40 119.95 2opu s VAL 53 Ca 0.36 1.79 -0.01 0.00 0.00 0.00 0.00 61.98 64.12 2opu s VAL 53 Cb 0.05 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2opu s VAL 53 CO 0.04 -0.09 -0.14 -1.10 0.00 0.00 0.00 175.10 173.81 2opu s GLN 54 N 2.81 3.10 -0.48 2.72 -1.52 -0.91 -4.99 119.66 120.39 2opu s GLN 54 Ca 0.40 -0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 52.77 2opu s GLN 54 Cb -0.16 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 29.92 2opu s GLN 54 CO 0.08 -0.22 0.94 0.42 -0.25 0.00 0.00 175.29 176.26 2opu s ILE 55 N 1.35 4.44 -0.45 1.08 -1.09 -1.26 -0.68 121.20 124.60 2opu s ILE 55 Ca 0.05 0.66 -0.21 0.00 -2.23 0.00 0.00 60.65 58.91 2opu s ILE 55 Cb -0.14 -4.47 0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2opu s ILE 55 CO -0.09 -0.91 0.68 -0.44 -1.23 0.00 0.00 174.94 172.95 2opu s SER 56 N 2.40 6.34 0.03 3.58 0.01 0.52 -4.95 113.70 121.63 2opu s SER 56 Ca 0.36 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 57.05 2opu s SER 56 Cb -0.10 -2.33 -0.17 0.00 0.21 0.00 0.00 66.02 63.62 2opu s SER 56 CO 0.25 -0.82 1.48 1.55 0.41 0.00 0.00 173.24 176.10 2opu h PRO 57 N 8.91 -0.10 -5.88 12.44 0.13 -1.95 -2.91 132.00 142.65 2opu h PRO 57 Ca -0.25 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.28 2opu h PRO 57 Cb 1.09 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.13 2opu h PRO 57 CO 0.91 0.15 1.12 -0.51 -0.23 0.00 0.00 178.00 179.45 2opu s ASP 58 N -5.33 6.39 0.24 1.44 1.11 -1.26 -4.76 116.67 114.48 2opu s ASP 58 Ca -0.15 -1.23 0.10 0.00 0.18 0.00 0.00 52.55 51.45 2opu s ASP 58 Cb 0.04 -2.51 0.21 0.00 1.07 0.00 0.00 42.92 41.72 2opu s ASP 58 CO 0.65 -1.50 1.52 0.77 1.18 0.00 0.00 175.17 177.79 2opu h SER 59 N 9.65 0.00 0.00 0.27 4.64 -1.81 -3.48 113.55 122.82 2opu h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2opu h SER 59 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2opu h SER 59 CO 1.30 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 178.58 2opu n GLY 60 N 0.57 2.28 0.05 -0.77 0.00 -1.26 -3.63 105.19 102.43 2opu n GLY 60 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2opu n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opu n GLY 61 N 0.00 -1.40 3.62 -0.02 0.00 -1.26 -4.80 105.19 101.33 2opu n GLY 61 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2opu n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2opu s LEU 62 N -3.65 3.27 0.05 0.99 1.02 -1.24 -5.03 118.68 114.10 2opu s LEU 62 Ca 0.10 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 54.04 2opu s LEU 62 Cb 0.13 -1.88 -0.31 0.00 0.02 0.00 0.00 46.19 44.15 2opu s LEU 62 CO 0.46 0.28 1.08 1.55 0.02 0.00 0.00 176.35 179.74 2opu h PRO 63 N 4.45 0.43 0.00 1.29 0.13 -1.94 -3.42 132.00 132.94 2opu h PRO 63 Ca -0.49 -0.71 0.00 0.00 -0.87 0.00 0.00 66.00 63.93 2opu h PRO 63 Cb 1.17 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2opu h PRO 63 CO 0.55 1.34 0.00 -0.85 -0.23 0.00 0.00 178.00 178.80 2opu n GLU 64 N -3.64 2.98 -2.81 0.86 0.00 -1.26 -4.95 120.64 111.81 2opu n GLU 64 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.73 2opu n GLU 64 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.47 2opu n GLU 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2opu s ARG 65 N 2.09 3.78 -0.20 3.44 6.06 0.55 -4.58 118.95 130.09 2opu s ARG 65 Ca 0.00 0.49 0.01 0.00 -2.50 0.00 0.00 55.73 53.74 2opu s ARG 65 Cb 0.00 -2.37 0.03 0.00 0.06 0.00 0.00 34.95 32.67 2opu s ARG 65 CO 0.00 -0.06 -0.17 -1.54 -2.50 0.00 0.00 175.30 171.03 2opu s SER 66 N -3.19 3.40 -0.25 -2.12 1.04 -1.10 -1.36 113.70 110.13 2opu s SER 66 Ca 0.52 -0.82 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 2opu s SER 66 Cb -0.10 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 2opu s SER 66 CO 0.32 -0.06 0.10 -0.69 0.98 0.00 0.00 173.24 173.89 2opu s VAL 67 N 1.27 4.58 -0.10 5.02 1.01 -0.42 -0.36 120.40 131.42 2opu s VAL 67 Ca 0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 2opu s VAL 67 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2opu s VAL 67 CO -0.11 0.33 0.69 -0.44 0.00 0.00 0.00 175.10 175.58 2opu s SER 68 N 1.53 6.93 -0.35 3.32 0.01 0.15 -0.25 113.70 125.04 2opu s SER 68 Ca 0.06 1.12 -0.10 0.00 1.31 0.00 0.00 55.95 58.34 2opu s SER 68 Cb -0.15 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.69 2opu s SER 68 CO 0.05 -0.16 0.18 -0.76 0.41 0.00 0.00 173.24 172.96 2opu s LEU 69 N 1.07 4.47 0.05 2.44 2.01 -0.07 -2.13 118.68 126.52 2opu s LEU 69 Ca 0.36 -0.83 -0.16 0.00 0.01 0.00 0.00 54.13 53.51 2opu s LEU 69 Cb -0.17 -2.01 0.03 0.00 0.01 0.00 0.00 46.19 44.05 2opu s LEU 69 CO 0.16 -0.31 0.37 -0.89 1.01 0.00 0.00 176.35 176.68 2opu s THR 70 N 1.57 0.07 0.00 5.49 2.01 -1.24 -2.30 115.64 121.23 2opu s THR 70 Ca 0.03 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2opu s THR 70 Cb -0.18 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.37 2opu s THR 70 CO 0.06 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2opu n GLY 71 N 0.50 -1.35 3.22 4.40 0.00 -0.87 0.82 105.19 111.90 2opu n GLY 71 Ca -0.18 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 2opu n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu s ALA 72 N -1.00 0.36 0.17 4.61 0.00 -1.25 -4.21 121.76 120.43 2opu s ALA 72 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 2opu s ALA 72 Cb 0.00 0.75 0.08 0.00 0.00 0.00 0.00 23.12 23.95 2opu s ALA 72 CO 0.00 -0.54 1.61 -1.00 0.00 0.00 0.00 175.76 175.84 2opu h PRO 73 N 2.76 -0.19 0.00 0.00 0.13 -1.97 0.74 132.00 133.47 2opu h PRO 73 Ca -0.34 0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 64.56 2opu h PRO 73 Cb 1.20 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2opu h PRO 73 CO 0.55 -0.13 -1.32 1.05 -0.23 0.00 0.00 178.00 177.93 2opu h GLU 74 N -0.20 0.00 -0.13 0.86 9.09 -1.98 -3.28 114.58 118.95 2opu h GLU 74 Ca 0.19 -0.01 -0.15 0.00 0.05 0.00 0.00 59.36 59.44 2opu h GLU 74 Cb 0.49 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.60 2opu h GLU 74 CO -0.52 0.78 -0.50 0.77 0.05 0.00 0.00 179.01 179.60 2opu h SER 75 N 0.00 0.66 0.59 3.06 0.02 -1.66 -2.52 113.55 113.70 2opu h SER 75 Ca -0.13 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.16 2opu h SER 75 Cb 1.88 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 2opu h SER 75 CO 0.11 1.17 -0.19 1.62 -1.14 0.00 0.00 176.83 178.40 2opu h VAL 76 N 0.19 0.61 -0.05 2.27 3.04 0.33 -1.61 116.25 121.03 2opu h VAL 76 Ca -0.03 -0.84 -0.18 0.00 -1.01 0.00 0.00 66.70 64.64 2opu h VAL 76 Cb 1.13 1.55 0.01 0.00 -2.01 0.00 0.00 31.29 31.97 2opu h VAL 76 CO 0.10 0.18 -0.69 -0.61 -1.01 0.00 0.00 177.57 175.55 2opu h GLN 77 N 0.00 0.56 -0.50 4.17 4.15 -1.60 -2.50 115.11 119.38 2opu h GLN 77 Ca -0.00 -0.53 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 2opu h GLN 77 Cb 0.53 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 2opu h GLN 77 CO 0.02 1.15 0.29 -0.22 -1.93 0.00 0.00 178.83 178.15 2opu h LYS 78 N 0.15 0.69 -0.21 1.69 1.63 -0.93 0.20 116.57 119.80 2opu h LYS 78 Ca -0.07 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2opu h LYS 78 Cb 1.35 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2opu h LYS 78 CO 0.14 0.51 0.11 0.00 -3.45 0.00 0.00 179.45 176.77 2opu h ALA 79 N 1.14 0.25 0.00 5.00 0.00 -1.38 -1.83 119.26 122.43 2opu h ALA 79 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2opu h ALA 79 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2opu h ALA 79 CO -0.03 -0.30 -0.03 0.87 0.00 0.00 0.00 179.25 179.76 2opu h LYS 80 N 0.24 0.00 -0.37 0.00 1.57 -1.04 -1.81 116.57 115.15 2opu h LYS 80 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2opu h LYS 80 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2opu h LYS 80 CO -0.04 0.03 0.19 0.52 -0.57 0.00 0.00 179.45 179.58 2opu h MET 81 N 0.00 0.39 -0.00 3.15 2.86 0.26 0.36 114.93 121.95 2opu h MET 81 Ca -0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2opu h MET 81 Cb 0.49 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2opu h MET 81 CO 0.00 0.25 0.00 0.52 1.06 0.00 0.00 176.91 178.75 2opu h MET 82 N 0.40 0.00 0.07 1.72 2.86 -1.17 -2.59 114.93 116.23 2opu h MET 82 Ca 0.16 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2opu h MET 82 Cb 0.05 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2opu h MET 82 CO -0.10 0.19 -0.05 -0.07 1.06 0.00 0.00 176.91 177.94 2opu h LEU 83 N -0.18 -0.12 -0.81 1.22 -0.00 -1.13 -0.77 115.31 113.51 2opu h LEU 83 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2opu h LEU 83 Cb 0.18 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 40.84 2opu h LEU 83 CO -0.00 -0.08 0.51 -0.78 -0.00 0.00 0.00 178.44 178.09 2opu h ASP 84 N -0.12 0.96 0.67 -0.43 3.58 -0.35 0.25 116.42 120.98 2opu h ASP 84 Ca -0.00 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2opu h ASP 84 Cb 0.10 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 40.92 2opu h ASP 84 CO 0.00 0.73 -0.32 -0.78 -2.88 0.00 0.00 179.24 175.99 2opu h ASP 85 N 1.11 -0.77 0.32 2.28 1.82 -1.12 -1.47 116.42 118.59 2opu h ASP 85 Ca 0.29 0.02 -0.21 0.00 -0.39 0.00 0.00 57.03 56.75 2opu h ASP 85 Cb -0.07 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 2opu h ASP 85 CO -0.06 -0.54 -0.84 0.40 -1.61 0.00 0.00 179.24 176.59 2opu h ILE 86 N -0.92 1.40 0.00 2.25 5.03 -0.99 -2.72 117.51 121.55 2opu h ILE 86 Ca -0.09 -2.33 -0.10 0.00 -0.12 0.00 0.00 64.86 62.22 2opu h ILE 86 Cb 0.70 2.29 -0.01 0.00 -3.03 0.00 0.00 36.82 36.76 2opu h ILE 86 CO 0.15 0.70 -0.50 0.58 -0.68 0.00 0.00 178.15 178.40 2opu h VAL 87 N 0.24 1.19 -0.40 1.67 2.07 -0.55 -0.55 116.25 119.92 2opu h VAL 87 Ca -0.06 -1.82 -0.15 0.00 0.82 0.00 0.00 66.70 65.50 2opu h VAL 87 Cb 1.45 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2opu h VAL 87 CO 0.14 0.49 -0.33 0.28 0.02 0.00 0.00 177.57 178.18 2opu h SER 88 N 0.00 0.98 1.29 0.57 0.02 -1.16 0.33 113.55 115.57 2opu h SER 88 Ca -0.00 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2opu h SER 88 Cb 0.99 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2opu h SER 88 CO 0.06 1.22 -0.11 0.08 -1.14 0.00 0.00 176.83 176.95 2opu h ARG 89 N 0.75 0.00 0.00 3.45 0.11 -1.19 -1.24 114.38 116.25 2opu h ARG 89 Ca 0.07 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.12 2opu h ARG 89 Cb 0.92 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.99 2opu h ARG 89 CO 0.09 0.11 -0.82 0.41 0.10 0.00 0.00 179.97 179.85 2opu n GLY 90 N 0.44 -0.78 0.24 0.08 0.00 -0.24 -4.47 105.19 100.45 2opu n GLY 90 Ca 0.01 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2opu n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2opu h ARG 91 N -1.00 0.00 0.00 1.61 2.47 -0.49 -3.48 114.38 113.49 2opu h ARG 91 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2opu h ARG 91 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2opu h ARG 91 CO -0.03 0.05 0.00 0.41 0.56 0.00 0.00 179.97 180.96 2opu n GLY 92 N 0.62 2.06 0.00 0.04 0.00 -0.47 -5.03 105.19 102.40 2opu n GLY 92 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93