#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opu n SER 6 N 0.00 -4.38 0.00 4.38 2.88 -1.26 -4.85 113.62 110.39 2opu n SER 6 Ca 0.00 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 2opu n SER 6 Cb 0.00 -3.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2opu n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2opu n SER 7 N 0.60 -0.56 0.00 -3.46 7.64 0.97 -4.87 113.62 113.94 2opu n SER 7 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2opu n SER 7 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2opu n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opu n GLN 8 N 0.00 0.00 0.00 1.43 6.02 -1.23 -2.76 117.38 120.84 2opu n GLN 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2opu n GLN 8 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2opu n GLN 8 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2opu n LEU 9 N 0.00 0.00 0.00 1.08 7.94 -0.65 -4.98 117.00 120.39 2opu n LEU 9 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2opu n LEU 9 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2opu n LEU 9 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2opu n GLY 10 N 0.00 1.85 0.00 -3.96 0.00 -1.26 -1.37 105.19 100.45 2opu n GLY 10 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 0.08 -4.74 1.61 -0.02 -1.26 -4.68 135.00 125.99 2opu n PRO 11 Ca 0.00 0.19 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 2opu n PRO 11 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.85 2opu n PRO 11 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2opu s ILE 12 N -2.85 3.04 -0.91 4.25 1.01 -1.26 -5.06 121.20 119.42 2opu s ILE 12 Ca 0.11 -0.91 0.24 0.00 0.00 0.00 0.00 60.65 60.08 2opu s ILE 12 Cb 0.11 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 2opu s ILE 12 CO 0.28 0.46 1.24 1.57 0.00 0.00 0.00 174.94 178.50 2opu n HIS 13 N 1.90 0.08 -0.17 3.97 -0.00 -1.26 -4.31 115.22 115.42 2opu n HIS 13 Ca -0.16 0.02 -0.14 0.00 0.46 0.00 0.00 57.72 57.90 2opu n HIS 13 Cb 0.52 -0.26 0.14 0.00 -0.12 0.00 0.00 29.99 30.27 2opu n HIS 13 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2opu n PRO 14 N -1.62 -2.62 -1.20 1.57 -0.04 -1.26 -4.93 135.00 124.91 2opu n PRO 14 Ca 0.04 -0.67 -0.37 0.00 -0.04 0.00 0.00 63.50 62.46 2opu n PRO 14 Cb 0.36 -0.97 0.04 0.00 -0.04 0.00 0.00 33.50 32.89 2opu n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2opu n PRO 15 N -3.10 0.11 -0.05 0.54 -0.04 -1.26 -4.58 135.00 126.62 2opu n PRO 15 Ca 0.06 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2opu n PRO 15 Cb 0.28 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2opu n PRO 16 N 0.89 0.27 -0.06 0.54 -0.04 -1.26 -3.69 135.00 131.65 2opu n PRO 16 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2opu n PRO 16 Cb 0.50 -1.36 0.27 0.00 -0.04 0.00 0.00 33.50 32.86 2opu n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2opu n ARG 17 N 1.24 1.37 0.00 0.54 1.74 -1.21 -2.19 116.66 118.15 2opu n ARG 17 Ca 0.00 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 2opu n ARG 17 Cb 0.14 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2opu n THR 18 N -0.13 0.00 1.25 0.55 5.66 -1.24 -4.86 114.28 115.51 2opu n THR 18 Ca 0.10 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.14 2opu n THR 18 Cb 0.17 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.07 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 0.00 1.27 -1.52 1.09 7.64 -1.25 -3.44 113.62 117.42 2opu n SER 19 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2opu n SER 19 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.19 0.20 -2.57 1.43 2.81 -0.59 -4.34 117.12 114.25 2opu n MET 20 Ca 0.08 -1.81 -0.43 0.00 -1.81 0.00 0.00 57.70 53.73 2opu n MET 20 Cb 0.20 0.02 -0.02 0.00 -0.71 0.00 0.00 33.22 32.72 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 -0.31 4.34 -0.18 2.03 2.01 -0.47 -4.49 115.64 118.57 2opu s THR 21 Ca 0.23 1.50 0.01 0.00 0.31 0.00 0.00 61.69 63.74 2opu s THR 21 Cb 0.28 -4.40 0.03 0.00 0.01 0.00 0.00 72.50 68.42 2opu s THR 21 CO -0.11 -0.61 -0.17 -0.70 -0.69 0.00 0.00 174.62 172.35 2opu s GLU 22 N 3.98 2.66 -0.44 4.92 2.12 -1.05 -1.63 118.70 129.26 2opu s GLU 22 Ca 0.49 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 54.79 2opu s GLU 22 Cb -0.12 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.85 2opu s GLU 22 CO 0.21 -0.26 0.81 -2.00 -0.54 0.00 0.00 175.26 173.48 2opu s GLU 23 N 1.34 3.48 -0.19 4.30 2.56 -1.11 -1.85 118.70 127.23 2opu s GLU 23 Ca 0.04 0.01 -0.21 0.00 0.00 0.00 0.00 54.97 54.81 2opu s GLU 23 Cb -0.14 -3.92 -0.03 0.00 2.00 0.00 0.00 34.13 32.05 2opu s GLU 23 CO -0.11 -1.10 0.62 -0.47 -0.56 0.00 0.00 175.26 173.63 2opu s TYR 24 N 3.36 3.39 -0.63 5.30 6.14 0.92 -0.02 117.35 135.81 2opu s TYR 24 Ca 0.31 0.93 -0.27 0.00 0.64 0.00 0.00 57.07 58.69 2opu s TYR 24 Cb -0.12 -2.78 0.04 0.00 0.42 0.00 0.00 41.96 39.52 2opu s TYR 24 CO 0.23 -0.15 1.15 1.03 0.64 0.00 0.00 175.55 178.45 2opu s ARG 25 N 1.80 3.35 -0.13 4.97 0.52 -1.26 -1.90 118.95 126.30 2opu s ARG 25 Ca 0.29 -0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.43 2opu s ARG 25 Cb -0.16 -4.09 0.01 0.00 0.52 0.00 0.00 34.95 31.24 2opu s ARG 25 CO 0.11 -1.80 -0.19 0.54 0.02 0.00 0.00 175.30 173.98 2opu s VAL 26 N 4.93 1.81 0.58 3.52 0.11 -0.81 -4.94 120.40 125.60 2opu s VAL 26 Ca 0.36 -0.83 -0.20 0.00 -2.93 0.00 0.00 61.98 58.39 2opu s VAL 26 Cb -0.09 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 2opu s VAL 26 CO 0.20 0.50 1.20 -2.65 -3.33 0.00 0.00 175.10 171.03 2opu n PRO 27 N 4.19 1.28 -0.02 1.54 -0.02 -1.26 -1.06 135.00 139.65 2opu n PRO 27 Ca -0.19 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 2opu n PRO 27 Cb 0.51 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2opu n PRO 27 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2opu h ASP 28 N 0.91 -0.43 0.38 2.55 3.58 -1.91 0.26 116.42 121.77 2opu h ASP 28 Ca -0.50 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 2opu h ASP 28 Cb 1.33 0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.60 2opu h ASP 28 CO 0.54 -0.17 -0.11 1.23 -2.88 0.00 0.00 179.24 177.85 2opu h GLY 29 N -0.14 0.00 2.00 -0.78 0.00 -2.00 -2.64 103.07 99.51 2opu h GLY 29 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 2opu h GLY 29 CO -0.26 0.00 -0.93 1.98 0.00 0.00 0.00 176.54 177.33 2opu h MET 30 N 0.00 0.00 0.00 4.80 1.85 -0.92 -2.23 114.93 118.44 2opu h MET 30 Ca -0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 2opu h MET 30 Cb 0.33 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 2opu h MET 30 CO 0.01 0.93 -0.35 -0.24 -0.40 0.00 0.00 176.91 176.87 2opu h VAL 31 N 0.00 0.88 -0.01 -5.77 3.04 -0.63 0.22 116.25 113.98 2opu h VAL 31 Ca -0.01 -1.39 -0.03 0.00 -1.01 0.00 0.00 66.70 64.26 2opu h VAL 31 Cb 1.68 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 32.80 2opu h VAL 31 CO 0.12 0.34 -0.12 1.23 -1.01 0.00 0.00 177.57 178.13 2opu h GLY 32 N 1.85 0.02 1.53 3.17 0.00 -1.19 -2.55 103.07 105.89 2opu h GLY 32 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 47.33 47.06 2opu h GLY 32 CO 0.05 0.01 -1.33 -2.00 0.00 0.00 0.00 176.54 173.26 2opu h LEU 33 N 0.01 0.07 -1.13 3.11 5.85 -0.78 -3.21 115.31 119.22 2opu h LEU 33 Ca 0.00 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 2opu h LEU 33 Cb 0.23 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2opu h LEU 33 CO 0.02 1.08 -0.33 -0.29 -0.34 0.00 0.00 178.44 178.57 2opu h ILE 34 N 0.01 0.88 0.00 4.05 6.09 -0.75 -0.11 117.51 127.68 2opu h ILE 34 Ca -0.14 -1.33 0.00 0.00 -1.37 0.00 0.00 64.86 62.02 2opu h ILE 34 Cb 1.89 1.80 0.00 0.00 0.47 0.00 0.00 36.82 40.99 2opu h ILE 34 CO 0.12 0.33 -0.10 2.30 -3.07 0.00 0.00 178.15 177.72 2opu n ILE 35 N -3.62 0.51 0.00 2.19 -5.35 -0.98 -3.75 119.36 108.35 2opu n ILE 35 Ca -0.01 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2opu n ILE 35 Cb 0.45 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 1.33 0.57 0.54 3.28 0.00 -0.06 -1.70 105.19 109.15 2opu n GLY 36 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.87 -0.18 1.61 1.85 -1.26 -4.70 116.66 114.85 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 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 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 0.11 0.78 0.00 2.89 0.00 -1.12 -4.56 105.19 103.29 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 -2.11 2.30 0.34 -0.02 0.00 -0.69 -4.99 105.19 100.02 2opu n GLY 39 Ca 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 46.02 45.94 2opu n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2opu h GLU 40 N 0.00 0.00 0.29 1.61 4.81 -1.80 -2.96 114.58 116.53 2opu h GLU 40 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2opu h GLU 40 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2opu h GLU 40 CO 0.00 0.00 -0.14 0.37 -0.73 0.00 0.00 179.01 178.51 2opu h GLN 41 N 0.00 -0.38 -0.72 1.92 4.15 -1.78 0.20 115.11 118.51 2opu h GLN 41 Ca 0.15 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2opu h GLN 41 Cb 0.62 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2opu h GLN 41 CO -0.00 -0.17 0.29 0.97 -1.93 0.00 0.00 178.83 177.99 2opu h ILE 42 N -0.51 1.24 -0.62 2.39 6.09 -1.61 0.42 117.51 124.91 2opu h ILE 42 Ca -0.04 -0.76 -0.02 0.00 -1.37 0.00 0.00 64.86 62.67 2opu h ILE 42 Cb 0.38 0.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.03 2opu h ILE 42 CO 0.07 0.31 0.32 -1.13 -3.07 0.00 0.00 178.15 174.64 2opu h ASN 43 N 1.04 0.79 -0.71 2.19 -1.24 -1.49 0.20 115.58 116.36 2opu h ASN 43 Ca 0.24 -0.11 0.03 0.00 0.71 0.00 0.00 56.30 57.17 2opu h ASN 43 Cb 0.19 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 2opu h ASN 43 CO -0.02 0.68 0.44 0.50 -1.29 0.00 0.00 177.43 177.74 2opu h LYS 44 N 0.85 0.84 0.05 6.67 1.63 0.24 -0.49 116.57 126.35 2opu h LYS 44 Ca 0.22 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2opu h LYS 44 Cb 0.08 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2opu h LYS 44 CO -0.03 0.55 -0.02 0.82 -3.45 0.00 0.00 179.45 177.32 2opu h ILE 45 N 0.86 1.27 -0.06 2.00 1.08 -0.16 -1.65 117.51 120.86 2opu h ILE 45 Ca 0.29 -1.11 -0.13 0.00 -0.39 0.00 0.00 64.86 63.52 2opu h ILE 45 Cb 0.03 1.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 2opu h ILE 45 CO -0.11 0.28 -0.56 0.06 -0.69 0.00 0.00 178.15 177.12 2opu h GLN 46 N -0.56 0.17 0.01 2.37 -0.00 -0.60 -1.58 115.11 114.91 2opu h GLN 46 Ca -0.01 -0.11 -0.25 0.00 -0.00 0.00 0.00 58.65 58.28 2opu h GLN 46 Cb 0.50 0.01 0.01 0.00 -0.00 0.00 0.00 27.48 28.01 2opu h GLN 46 CO 0.01 0.68 -1.02 0.37 -0.00 0.00 0.00 178.83 178.88 2opu h GLN 47 N 0.13 0.59 0.05 0.06 5.75 -1.15 -0.56 115.11 119.98 2opu h GLN 47 Ca -0.00 -0.64 -0.00 0.00 -0.15 0.00 0.00 58.65 57.85 2opu h GLN 47 Cb 1.03 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2opu h GLN 47 CO 0.08 1.25 -0.02 0.22 -2.65 0.00 0.00 178.83 177.71 2opu h ASP 48 N 0.33 -0.06 -0.14 -0.69 3.58 -1.15 -3.25 116.42 115.04 2opu h ASP 48 Ca -0.11 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.12 2opu h ASP 48 Cb 1.67 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 2opu h ASP 48 CO 0.19 0.10 -0.22 0.77 -2.88 0.00 0.00 179.24 177.19 2opu h SER 49 N -0.21 0.45 0.00 2.28 4.64 -1.35 -3.47 113.55 115.88 2opu h SER 49 Ca -0.01 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2opu h SER 49 Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2opu h SER 49 CO 0.01 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 2opu n GLY 50 N 0.34 0.88 3.73 -0.77 0.00 -0.25 -4.63 105.19 104.49 2opu n GLY 50 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 2.63 3.27 -2.74 0.00 5.02 0.16 -4.48 118.16 122.03 2opu n LYS 52 Ca 0.02 -3.31 -0.43 0.00 -2.02 0.00 0.00 58.31 52.58 2opu n LYS 52 Cb 0.48 -3.17 -0.03 0.00 -0.02 0.00 0.00 35.03 32.29 2opu n LYS 52 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2opu s VAL 53 N 2.21 4.57 -0.10 -0.18 1.01 -1.26 -4.05 120.40 122.59 2opu s VAL 53 Ca 0.45 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.91 2opu s VAL 53 Cb 0.07 -4.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 2opu s VAL 53 CO -0.00 -0.49 -0.23 -1.10 0.00 0.00 0.00 175.10 173.28 2opu s GLN 54 N 3.51 3.08 -0.49 2.72 -1.52 -0.99 -4.96 119.66 121.02 2opu s GLN 54 Ca 0.41 -0.86 -0.26 0.00 -1.95 0.00 0.00 55.36 52.69 2opu s GLN 54 Cb -0.12 -2.33 0.03 0.00 -0.22 0.00 0.00 33.01 30.37 2opu s GLN 54 CO 0.17 0.18 0.99 0.42 -0.25 0.00 0.00 175.29 176.80 2opu s ILE 55 N 0.34 4.37 -0.44 1.08 -1.09 -1.26 -0.67 121.20 123.54 2opu s ILE 55 Ca -0.18 0.78 -0.27 0.00 -2.23 0.00 0.00 60.65 58.74 2opu s ILE 55 Cb -0.18 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.22 2opu s ILE 55 CO 0.09 -0.95 1.03 -0.44 -1.23 0.00 0.00 174.94 173.43 2opu s SER 56 N 2.44 6.62 0.32 3.58 0.01 0.89 -4.90 113.70 122.67 2opu s SER 56 Ca 0.39 0.42 0.15 0.00 1.31 0.00 0.00 55.95 58.21 2opu s SER 56 Cb -0.10 -2.50 0.48 0.00 0.21 0.00 0.00 66.02 64.11 2opu s SER 56 CO 0.26 -1.09 1.65 1.55 0.41 0.00 0.00 173.24 176.03 2opu h PRO 57 N 8.95 0.00 -3.59 12.44 0.13 -1.95 -2.97 132.00 145.01 2opu h PRO 57 Ca -0.23 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.17 2opu h PRO 57 Cb 1.07 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.87 2opu h PRO 57 CO 1.06 0.50 -0.17 -0.51 -0.23 0.00 0.00 178.00 178.65 2opu s ASP 58 N -6.61 5.82 0.21 1.44 1.01 -1.26 -4.92 116.67 112.36 2opu s ASP 58 Ca -0.00 -2.98 -0.07 0.00 0.71 0.00 0.00 52.55 50.21 2opu s ASP 58 Cb 0.11 -1.97 0.15 0.00 1.01 0.00 0.00 42.92 42.22 2opu s ASP 58 CO 0.72 -0.39 1.69 0.77 0.21 0.00 0.00 175.17 178.17 2opu h SER 59 N 7.05 0.99 0.00 0.27 4.64 -1.79 -3.47 113.55 121.24 2opu h SER 59 Ca 0.05 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2opu h SER 59 Cb 0.95 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2opu h SER 59 CO 0.75 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 178.34 2opu n GLY 60 N -0.53 1.82 0.81 -0.77 0.00 -1.26 -4.19 105.19 101.06 2opu n GLY 60 Ca 0.03 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.89 3.24 -0.02 0.00 -1.26 -4.93 105.19 103.12 2opu n GLY 61 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.51 2.33 0.00 0.99 1.02 -1.26 -4.94 118.68 115.30 2opu s LEU 62 Ca 0.34 -0.70 0.26 0.00 0.02 0.00 0.00 54.13 54.05 2opu s LEU 62 Cb 0.19 -0.70 0.74 0.00 0.02 0.00 0.00 46.19 46.45 2opu s LEU 62 CO 0.28 -0.03 1.56 -0.81 0.02 0.00 0.00 176.35 177.36 2opu n PRO 63 N 0.97 0.97 0.00 1.29 -0.04 -1.26 -4.74 135.00 132.18 2opu n PRO 63 Ca -0.19 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2opu n PRO 63 Cb 0.55 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2opu n PRO 63 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2opu n GLU 64 N -0.50 3.99 -3.20 0.54 0.28 -1.26 -4.94 120.64 115.54 2opu n GLU 64 Ca 0.13 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.86 2opu n GLU 64 Cb 0.36 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.21 2opu n GLU 64 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2opu s ARG 65 N 1.72 3.56 0.09 3.44 6.06 -0.23 -4.50 118.95 129.09 2opu s ARG 65 Ca 0.00 -0.08 0.04 0.00 -2.50 0.00 0.00 55.73 53.19 2opu s ARG 65 Cb 0.00 -2.59 -0.03 0.00 0.06 0.00 0.00 34.95 32.38 2opu s ARG 65 CO 0.00 0.10 -0.12 -1.54 -2.50 0.00 0.00 175.30 171.24 2opu s SER 66 N -3.70 1.57 -0.03 -2.12 1.04 -1.12 -1.93 113.70 107.40 2opu s SER 66 Ca 0.43 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.13 2opu s SER 66 Cb -0.10 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.02 2opu s SER 66 CO 0.35 -0.19 -0.04 -0.69 0.98 0.00 0.00 173.24 173.66 2opu s VAL 67 N -2.00 0.46 -0.14 5.02 1.01 -0.80 -0.07 120.40 123.88 2opu s VAL 67 Ca 0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2opu s VAL 67 Cb -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2opu s VAL 67 CO 0.01 0.19 0.57 -0.44 0.00 0.00 0.00 175.10 175.44 2opu s SER 68 N 0.72 6.74 -0.36 3.32 0.01 0.16 -0.05 113.70 124.24 2opu s SER 68 Ca -0.09 0.89 -0.05 0.00 1.31 0.00 0.00 55.95 58.01 2opu s SER 68 Cb -0.12 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.84 2opu s SER 68 CO -0.00 -0.12 0.13 -0.76 0.41 0.00 0.00 173.24 172.90 2opu s LEU 69 N 1.11 4.54 -0.18 2.44 2.01 -0.77 -2.34 118.68 125.49 2opu s LEU 69 Ca 0.29 -1.37 -0.13 0.00 0.01 0.00 0.00 54.13 52.93 2opu s LEU 69 Cb -0.16 -1.85 0.05 0.00 0.01 0.00 0.00 46.19 44.24 2opu s LEU 69 CO 0.12 -0.39 0.45 -0.89 1.01 0.00 0.00 176.35 176.65 2opu s THR 70 N 1.34 -0.01 -0.26 5.49 2.01 -1.26 -2.53 115.64 120.42 2opu s THR 70 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2opu s THR 70 Cb -0.21 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2opu s THR 70 CO 0.01 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2opu n GLY 71 N 3.60 -0.86 3.87 4.40 0.00 -0.93 0.39 105.19 115.65 2opu n GLY 71 Ca -0.18 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 3.06 0.17 4.61 0.00 -1.26 -3.35 121.76 123.98 2opu s ALA 72 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 2opu s ALA 72 Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 20.07 2opu s ALA 72 CO 0.00 -0.75 1.57 -1.35 0.00 0.00 0.00 175.76 175.23 2opu h PRO 73 N -0.37 -0.22 0.02 0.00 0.11 -1.98 0.69 132.00 130.25 2opu h PRO 73 Ca -0.44 0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 2opu h PRO 73 Cb 1.19 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2opu h PRO 73 CO 0.62 -0.14 -1.33 1.49 -0.21 0.00 0.00 178.00 178.42 2opu h GLU 74 N -0.23 0.04 -0.57 1.05 4.81 -1.98 -3.20 114.58 114.51 2opu h GLU 74 Ca 0.18 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2opu h GLU 74 Cb 0.56 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2opu h GLU 74 CO -0.69 0.85 0.28 0.77 -0.73 0.00 0.00 179.01 179.49 2opu h SER 75 N 0.01 0.75 0.42 1.04 0.02 -1.63 0.65 113.55 114.81 2opu h SER 75 Ca -0.14 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2opu h SER 75 Cb 1.89 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 2opu h SER 75 CO 0.12 0.67 -0.27 1.62 -1.14 0.00 0.00 176.83 177.83 2opu h VAL 76 N 0.78 0.97 0.01 2.27 3.04 0.26 -1.73 116.25 121.85 2opu h VAL 76 Ca 0.20 -0.99 -0.00 0.00 -1.01 0.00 0.00 66.70 64.90 2opu h VAL 76 Cb 0.12 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2opu h VAL 76 CO -0.02 0.26 -0.00 -0.61 -1.01 0.00 0.00 177.57 176.18 2opu h GLN 77 N 0.00 -0.01 -0.73 4.17 5.75 -1.31 -2.01 115.11 120.97 2opu h GLN 77 Ca -0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2opu h GLN 77 Cb 0.55 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.03 2opu h GLN 77 CO 0.03 0.65 0.36 -0.22 -2.65 0.00 0.00 178.83 177.00 2opu h LYS 78 N -0.69 0.58 0.26 1.69 1.63 -0.71 0.27 116.57 119.60 2opu h LYS 78 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2opu h LYS 78 Cb 0.67 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2opu h LYS 78 CO 0.00 0.38 -0.26 0.00 -3.45 0.00 0.00 179.45 176.13 2opu h ALA 79 N 1.45 -0.54 0.00 5.00 0.00 -1.36 -2.50 119.26 121.32 2opu h ALA 79 Ca 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2opu h ALA 79 Cb 0.41 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2opu h ALA 79 CO -0.29 -0.83 -0.04 0.87 0.00 0.00 0.00 179.25 178.96 2opu h LYS 80 N -0.55 0.00 -0.34 0.00 1.57 -0.51 -2.43 116.57 114.31 2opu h LYS 80 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2opu h LYS 80 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2opu h LYS 80 CO -0.06 0.04 -0.11 0.52 -0.57 0.00 0.00 179.45 179.28 2opu h MET 81 N 0.00 0.68 -0.27 3.15 2.86 -0.06 0.43 114.93 121.72 2opu h MET 81 Ca -0.00 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 2opu h MET 81 Cb 0.34 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2opu h MET 81 CO 0.00 0.86 -0.21 0.52 1.06 0.00 0.00 176.91 179.14 2opu h MET 82 N 0.46 0.49 -0.05 1.72 2.86 -1.25 -2.24 114.93 116.92 2opu h MET 82 Ca 0.08 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2opu h MET 82 Cb 0.62 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2opu h MET 82 CO 0.04 0.67 -0.01 -0.07 1.06 0.00 0.00 176.91 178.60 2opu h LEU 83 N 0.44 0.10 -0.74 1.22 -0.00 -1.23 -2.22 115.31 112.87 2opu h LEU 83 Ca 0.07 -0.37 0.14 0.00 -0.00 0.00 0.00 57.88 57.72 2opu h LEU 83 Cb 0.61 -0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 41.15 2opu h LEU 83 CO 0.04 0.44 0.28 -0.78 -0.00 0.00 0.00 178.44 178.43 2opu h ASP 84 N -0.25 0.24 0.73 -0.43 3.58 -0.06 0.22 116.42 120.45 2opu h ASP 84 Ca 0.01 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2opu h ASP 84 Cb 0.40 0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.55 2opu h ASP 84 CO 0.00 0.09 -0.35 -0.78 -2.88 0.00 0.00 179.24 175.32 2opu h ASP 85 N 0.42 -0.83 -0.56 2.28 1.82 -1.30 -1.46 116.42 116.80 2opu h ASP 85 Ca 0.41 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.98 2opu h ASP 85 Cb 0.63 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 2opu h ASP 85 CO -0.41 -0.50 -0.05 0.40 -1.61 0.00 0.00 179.24 177.07 2opu h ILE 86 N -1.16 1.27 0.00 2.25 5.03 -1.20 -2.10 117.51 121.60 2opu h ILE 86 Ca -0.10 -1.19 -0.06 0.00 -0.12 0.00 0.00 64.86 63.39 2opu h ILE 86 Cb 0.75 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 35.44 2opu h ILE 86 CO 0.16 0.43 -0.27 0.58 -0.68 0.00 0.00 178.15 178.37 2opu h VAL 87 N 0.90 0.88 0.00 1.67 2.07 -0.65 -0.66 116.25 120.45 2opu h VAL 87 Ca 0.15 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 2opu h VAL 87 Cb 0.61 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2opu h VAL 87 CO 0.04 0.26 -0.40 -1.28 0.02 0.00 0.00 177.57 176.21 2opu h SER 88 N 0.00 0.00 -0.63 0.57 0.87 -0.62 0.52 113.55 114.25 2opu h SER 88 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2opu h SER 88 Cb 0.60 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 2opu h SER 88 CO 0.03 0.40 0.23 0.03 -0.53 0.00 0.00 176.83 176.99 2opu h ARG 89 N 0.00 0.96 0.00 2.24 2.47 -0.51 -2.21 114.38 117.34 2opu h ARG 89 Ca -0.00 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2opu h ARG 89 Cb 0.95 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2opu h ARG 89 CO 0.05 0.83 -0.40 0.78 0.56 0.00 0.00 179.97 181.79 2opu h GLY 90 N 0.90 0.00 -5.29 0.04 0.00 -1.33 -3.40 103.07 93.99 2opu h GLY 90 Ca 0.21 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.87 2opu h GLY 90 CO -0.01 0.00 2.16 0.54 0.00 0.00 0.00 176.54 179.23 2opu n ARG 91 N -4.65 3.98 0.00 4.80 5.12 0.18 -4.76 116.66 121.33 2opu n ARG 91 Ca -0.06 -2.98 0.00 0.00 -1.93 0.00 0.00 57.85 52.88 2opu n ARG 91 Cb 0.22 -2.54 0.00 0.00 -1.16 0.00 0.00 32.46 28.97 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2opu n GLY 92 N 1.88 -0.40 0.00 -0.13 0.00 -1.03 -4.59 105.19 100.92 2opu n GLY 92 Ca 0.62 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93