#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 1.23 0.00 4.38 0.01 -1.26 -4.79 113.70 113.26 2opu s SER 6 Ca 0.00 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2opu s SER 6 Cb 0.00 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.73 2opu s SER 6 CO 0.00 -0.08 0.00 -1.20 0.41 0.00 0.00 173.24 172.37 2opu n SER 7 N 4.34 0.00 -4.36 2.44 7.64 0.50 -4.91 113.62 119.29 2opu n SER 7 Ca -0.20 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.23 2opu n SER 7 Cb 0.51 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 2opu n SER 7 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2opu s GLN 8 N -0.17 3.25 -0.45 1.43 0.74 -1.26 -2.30 119.66 120.89 2opu s GLN 8 Ca 0.00 -1.76 0.03 0.00 0.05 0.00 0.00 55.36 53.68 2opu s GLN 8 Cb 0.00 -4.40 0.12 0.00 1.10 0.00 0.00 33.01 29.84 2opu s GLN 8 CO 0.00 -1.46 0.20 -0.51 -0.55 0.00 0.00 175.29 172.97 2opu s LEU 9 N 1.79 3.82 -0.62 3.68 1.43 -0.67 -4.91 118.68 123.19 2opu s LEU 9 Ca 0.14 -2.66 0.06 0.00 -1.03 0.00 0.00 54.13 50.64 2opu s LEU 9 Cb -0.19 -1.43 0.22 0.00 0.03 0.00 0.00 46.19 44.82 2opu s LEU 9 CO -0.00 -0.28 0.64 0.61 0.23 0.00 0.00 176.35 177.54 2opu n GLY 10 N 3.56 4.29 0.04 -3.19 0.00 -1.26 -0.95 105.19 107.67 2opu n GLY 10 Ca 0.05 -2.54 -0.01 0.00 0.00 0.00 0.00 46.02 43.52 2opu n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2opu h PRO 11 N 4.56 0.00 -6.08 1.61 0.14 -1.93 -3.48 132.00 126.83 2opu h PRO 11 Ca 0.18 0.00 -0.54 0.00 0.14 0.00 0.00 66.00 65.78 2opu h PRO 11 Cb 0.72 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 31.83 2opu h PRO 11 CO 0.75 0.00 -0.44 -1.50 0.14 0.00 0.00 178.00 176.94 2opu s ILE 12 N -1.55 5.31 -0.19 -3.56 2.07 -1.26 -5.05 121.20 116.97 2opu s ILE 12 Ca -0.04 -0.64 0.22 0.00 -1.41 0.00 0.00 60.65 58.78 2opu s ILE 12 Cb 0.00 -3.74 -0.08 0.00 0.13 0.00 0.00 42.46 38.78 2opu s ILE 12 CO 0.05 -0.11 0.91 1.41 -1.91 0.00 0.00 174.94 175.30 2opu n HIS 13 N -0.57 0.80 -0.95 3.50 8.25 -1.26 -4.51 115.22 120.48 2opu n HIS 13 Ca -0.07 0.24 -0.32 0.00 -0.26 0.00 0.00 57.72 57.31 2opu n HIS 13 Cb 0.54 -0.90 0.02 0.00 1.12 0.00 0.00 29.99 30.77 2opu n HIS 13 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2opu n PRO 14 N -2.63 0.00 -1.06 -0.41 -0.02 -1.26 -4.91 135.00 124.70 2opu n PRO 14 Ca -0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 2opu n PRO 14 Cb 0.59 -1.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.15 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 2.40 0.03 0.00 0.52 -0.02 -1.26 -4.58 135.00 132.10 2opu n PRO 15 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2opu n PRO 15 Cb 0.62 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.38 0.26 0.29 0.52 -0.04 -1.25 -3.17 135.00 131.22 2opu n PRO 16 Ca 0.07 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.68 2opu n PRO 16 Cb 0.52 -1.02 0.87 0.00 -0.04 0.00 0.00 33.50 33.83 2opu n PRO 16 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2opu h ARG 17 N 0.10 0.00 0.00 0.54 0.11 -1.56 0.84 114.38 114.41 2opu h ARG 17 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2opu h ARG 17 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 2opu h ARG 17 CO 0.00 0.05 0.00 -2.37 0.10 0.00 0.00 179.97 177.75 2opu n THR 18 N -3.61 0.00 0.00 0.08 5.66 -1.21 -4.22 114.28 110.97 2opu n THR 18 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2opu n THR 18 Cb 0.16 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 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 0.00 -3.95 1.09 7.64 -1.19 -4.40 113.62 112.81 2opu n SER 19 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2opu n SER 19 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2opu n SER 19 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2opu n MET 20 N -0.32 2.16 -2.69 1.43 0.00 -1.25 -4.24 117.12 112.21 2opu n MET 20 Ca 0.00 -2.37 -0.42 0.00 0.00 0.00 0.00 57.70 54.91 2opu n MET 20 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 33.22 29.94 2opu n MET 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2opu s THR 21 N 5.34 4.66 -0.31 3.17 2.01 -0.13 -4.79 115.64 125.59 2opu s THR 21 Ca 0.56 2.00 -0.17 0.00 0.31 0.00 0.00 61.69 64.39 2opu s THR 21 Cb 0.10 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2opu s THR 21 CO 0.05 0.21 0.46 -0.70 -0.69 0.00 0.00 174.62 173.96 2opu s GLU 22 N 0.65 3.81 -0.65 4.92 2.56 -0.35 -1.67 118.70 127.97 2opu s GLU 22 Ca 0.51 -0.03 -0.16 0.00 0.00 0.00 0.00 54.97 55.29 2opu s GLU 22 Cb -0.23 -3.73 0.15 0.00 2.00 0.00 0.00 34.13 32.32 2opu s GLU 22 CO 0.29 -0.47 0.63 -2.00 -0.56 0.00 0.00 175.26 173.14 2opu s GLU 23 N 2.25 3.20 -0.33 4.30 2.12 -0.97 -0.90 118.70 128.38 2opu s GLU 23 Ca 0.18 -1.89 -0.18 0.00 0.36 0.00 0.00 54.97 53.44 2opu s GLU 23 Cb -0.16 -4.35 -0.01 0.00 0.26 0.00 0.00 34.13 29.87 2opu s GLU 23 CO 0.11 -1.36 0.52 -0.47 -0.54 0.00 0.00 175.26 173.52 2opu s TYR 24 N 1.35 3.20 -0.65 5.30 6.14 -0.20 -0.37 117.35 132.12 2opu s TYR 24 Ca 0.10 0.31 -0.27 0.00 0.64 0.00 0.00 57.07 57.85 2opu s TYR 24 Cb -0.22 -2.89 0.04 0.00 0.42 0.00 0.00 41.96 39.30 2opu s TYR 24 CO -0.01 -0.48 1.17 1.03 0.64 0.00 0.00 175.55 177.91 2opu s ARG 25 N 2.40 3.32 -0.08 4.97 0.52 -1.26 -1.61 118.95 127.21 2opu s ARG 25 Ca 0.20 -0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.33 2opu s ARG 25 Cb -0.15 -4.11 -0.00 0.00 0.52 0.00 0.00 34.95 31.21 2opu s ARG 25 CO 0.12 -1.86 -0.22 0.54 0.02 0.00 0.00 175.30 173.91 2opu s VAL 26 N 5.05 1.86 0.29 3.52 0.11 -0.88 -5.00 120.40 125.34 2opu s VAL 26 Ca 0.36 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 2opu s VAL 26 Cb -0.09 -1.61 -0.11 0.00 -1.53 0.00 0.00 36.38 33.05 2opu s VAL 26 CO 0.19 0.52 1.50 -2.84 -3.33 0.00 0.00 175.10 171.13 2opu s PRO 27 N 0.23 4.20 0.37 1.54 0.02 -1.26 -1.42 135.00 138.68 2opu s PRO 27 Ca -0.13 2.44 0.13 0.00 0.02 0.00 0.00 61.00 63.46 2opu s PRO 27 Cb -0.16 -3.06 0.94 0.00 0.02 0.00 0.00 34.50 32.25 2opu s PRO 27 CO 0.06 -0.50 1.83 0.22 -0.33 0.00 0.00 177.00 178.28 2opu h ASP 28 N 4.61 0.56 -0.09 2.53 3.58 -1.94 0.25 116.42 125.92 2opu h ASP 28 Ca -0.47 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 56.96 2opu h ASP 28 Cb 1.22 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2opu h ASP 28 CO 0.76 0.22 -0.16 1.23 -2.88 0.00 0.00 179.24 178.41 2opu h GLY 29 N 0.56 0.49 2.00 -0.78 0.00 -1.97 -1.80 103.07 101.56 2opu h GLY 29 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2opu h GLY 29 CO -0.25 0.32 0.00 1.03 0.00 0.00 0.00 176.54 177.64 2opu n MET 30 N -4.19 0.18 -0.01 4.80 2.81 0.83 -2.27 117.12 119.27 2opu n MET 30 Ca 0.00 0.19 -0.18 0.00 -1.81 0.00 0.00 57.70 55.91 2opu n MET 30 Cb 0.34 -1.73 -0.08 0.00 -0.71 0.00 0.00 33.22 31.04 2opu n MET 30 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2opu h VAL 31 N 0.00 1.30 0.00 2.03 2.07 -0.88 0.16 116.25 120.93 2opu h VAL 31 Ca 0.00 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.48 2opu h VAL 31 Cb 0.61 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2opu h VAL 31 CO 0.00 0.63 -0.14 1.23 0.02 0.00 0.00 177.57 179.31 2opu h GLY 32 N 0.40 0.00 1.37 2.17 0.00 -1.14 -2.34 103.07 103.53 2opu h GLY 32 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 2opu h GLY 32 CO 0.16 0.00 -1.01 1.41 0.00 0.00 0.00 176.54 177.09 2opu h LEU 33 N 0.00 0.00 -0.71 3.11 3.38 -1.29 -2.30 115.31 117.50 2opu h LEU 33 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2opu h LEU 33 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2opu h LEU 33 CO 0.02 0.48 -0.38 -0.29 0.09 0.00 0.00 178.44 178.36 2opu h ILE 34 N 0.00 0.80 0.00 1.22 6.09 -0.17 -1.41 117.51 124.04 2opu h ILE 34 Ca -0.09 -1.63 0.00 0.00 -1.37 0.00 0.00 64.86 61.78 2opu h ILE 34 Cb 1.44 2.03 0.00 0.00 0.47 0.00 0.00 36.82 40.76 2opu h ILE 34 CO 0.05 0.37 -0.74 0.16 -3.07 0.00 0.00 178.15 174.92 2opu h ILE 35 N 0.00 0.00 0.00 2.19 3.07 -1.54 -3.35 117.51 117.88 2opu h ILE 35 Ca -0.00 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2opu h ILE 35 Cb 1.00 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2opu h ILE 35 CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 2opu n GLY 36 N 1.31 0.72 0.00 0.16 0.00 -0.53 -2.54 105.19 104.30 2opu n GLY 36 Ca 0.02 0.57 0.15 0.00 0.00 0.00 0.00 46.02 46.77 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 -4.75 116.66 114.96 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 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 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 1.02 0.99 0.00 2.89 0.00 -1.05 -4.85 105.19 104.19 2opu n GLY 38 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.95 0.32 -0.02 0.00 -1.12 -4.99 105.19 100.32 2opu n GLY 39 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.23 -0.38 1.61 4.81 -1.89 -2.81 114.58 116.14 2opu h GLU 40 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2opu h GLU 40 Cb 0.00 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2opu h GLU 40 CO 0.00 0.15 0.21 0.37 -0.73 0.00 0.00 179.01 179.01 2opu h GLN 41 N 0.23 0.42 0.32 1.92 -0.00 -1.85 0.15 115.11 116.30 2opu h GLN 41 Ca 0.63 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 59.24 2opu h GLN 41 Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.75 2opu h GLN 41 CO -0.66 0.28 -0.15 0.97 0.00 0.00 0.00 178.83 179.27 2opu h ILE 42 N 0.43 0.69 -0.83 2.39 6.09 -1.64 -2.35 117.51 122.30 2opu h ILE 42 Ca 0.16 -0.48 0.08 0.00 -1.37 0.00 0.00 64.86 63.24 2opu h ILE 42 Cb 0.03 0.94 -0.07 0.00 0.47 0.00 0.00 36.82 38.20 2opu h ILE 42 CO -0.09 0.09 0.50 0.78 -3.07 0.00 0.00 178.15 176.36 2opu h ASN 43 N -0.70 0.75 -0.31 2.19 2.35 -1.53 0.19 115.58 118.51 2opu h ASN 43 Ca -0.04 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2opu h ASN 43 Cb 0.48 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 2opu h ASN 43 CO 0.07 0.45 0.15 0.50 -1.65 0.00 0.00 177.43 176.96 2opu h LYS 44 N 0.87 0.31 -0.00 0.81 3.64 -0.66 0.49 116.57 122.02 2opu h LYS 44 Ca 0.38 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 2opu h LYS 44 Cb 0.26 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2opu h LYS 44 CO -0.21 0.20 -0.49 0.82 -2.27 0.00 0.00 179.45 177.51 2opu h ILE 45 N 0.32 1.46 -0.29 2.00 5.03 -0.73 -2.49 117.51 122.80 2opu h ILE 45 Ca 0.13 -2.03 -0.10 0.00 -0.12 0.00 0.00 64.86 62.74 2opu h ILE 45 Cb 0.05 2.63 -0.01 0.00 -3.03 0.00 0.00 36.82 36.47 2opu h ILE 45 CO -0.09 0.58 -0.22 0.06 -0.68 0.00 0.00 178.15 177.80 2opu h GLN 46 N -0.22 0.66 -0.25 2.37 3.07 -0.64 -2.14 115.11 117.98 2opu h GLN 46 Ca -0.06 -0.32 -0.14 0.00 0.09 0.00 0.00 58.65 58.21 2opu h GLN 46 Cb 1.21 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 2opu h GLN 46 CO 0.10 0.92 -0.44 0.37 0.09 0.00 0.00 178.83 179.87 2opu h GLN 47 N 0.41 0.62 0.01 0.06 5.75 -1.02 0.15 115.11 121.09 2opu h GLN 47 Ca 0.06 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2opu h GLN 47 Cb 0.76 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2opu h GLN 47 CO 0.06 0.94 -0.00 0.22 -2.65 0.00 0.00 178.83 177.39 2opu h ASP 48 N 0.50 -0.01 0.38 -0.69 1.82 -1.39 -3.08 116.42 113.95 2opu h ASP 48 Ca 0.04 -0.05 -0.16 0.00 -0.39 0.00 0.00 57.03 56.46 2opu h ASP 48 Cb 0.96 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 2opu h ASP 48 CO 0.09 0.05 -0.66 0.77 -1.61 0.00 0.00 179.24 177.87 2opu h SER 49 N -0.06 0.30 0.00 2.28 4.64 -1.32 -3.47 113.55 115.92 2opu h SER 49 Ca -0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2opu h SER 49 Cb 0.06 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2opu h SER 49 CO 0.00 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 2opu n GLY 50 N 0.40 1.17 3.83 -0.77 0.00 -0.13 -4.57 105.19 105.12 2opu n GLY 50 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2opu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu s LYS 52 N -3.65 3.08 -0.36 0.00 -0.14 0.36 -4.25 119.74 114.77 2opu s LYS 52 Ca 0.61 -2.80 -0.11 0.00 -1.36 0.00 0.00 55.97 52.31 2opu s LYS 52 Cb -0.10 -3.98 0.02 0.00 -1.68 0.00 0.00 37.83 32.09 2opu s LYS 52 CO 0.23 -1.23 0.20 0.08 -0.76 0.00 0.00 175.35 173.87 2opu s VAL 53 N -0.50 4.66 -0.29 3.17 1.01 -1.26 -2.87 120.40 124.32 2opu s VAL 53 Ca 0.21 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2opu s VAL 53 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2opu s VAL 53 CO -0.07 -0.15 0.08 -1.58 0.00 0.00 0.00 175.10 173.37 2opu s GLN 54 N 1.59 3.16 -0.88 2.72 2.00 -0.91 -4.97 119.66 122.38 2opu s GLN 54 Ca 0.03 -0.81 -0.24 0.00 -2.00 0.00 0.00 55.36 52.35 2opu s GLN 54 Cb -0.18 -3.35 0.05 0.00 0.80 0.00 0.00 33.01 30.32 2opu s GLN 54 CO 0.07 -0.41 1.31 0.42 -0.50 0.00 0.00 175.29 176.18 2opu s ILE 55 N 1.51 3.98 -0.35 -2.34 -1.09 -1.26 -1.33 121.20 120.32 2opu s ILE 55 Ca 0.03 -0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 2opu s ILE 55 Cb -0.17 -4.94 0.02 0.00 -1.58 0.00 0.00 42.46 35.79 2opu s ILE 55 CO 0.02 -1.82 1.13 -0.44 -1.23 0.00 0.00 174.94 172.61 2opu s SER 56 N 4.27 6.82 0.08 3.58 0.01 -0.35 -4.91 113.70 123.21 2opu s SER 56 Ca 0.38 0.95 -0.14 0.00 1.31 0.00 0.00 55.95 58.45 2opu s SER 56 Cb -0.05 -2.54 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 2opu s SER 56 CO 0.01 -1.00 1.25 -0.65 0.41 0.00 0.00 173.24 173.26 2opu h PRO 57 N 8.56 0.72 -3.76 12.44 0.11 -1.94 -2.95 132.00 145.19 2opu h PRO 57 Ca -0.22 -0.66 -0.79 0.00 0.11 0.00 0.00 66.00 64.45 2opu h PRO 57 Cb 1.07 0.16 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 2opu h PRO 57 CO 1.05 1.26 0.74 -3.47 -0.21 0.00 0.00 178.00 177.36 2opu n ASP 58 N -3.96 5.54 0.26 -2.05 2.03 -1.26 -4.84 116.55 112.27 2opu n ASP 58 Ca -0.09 -3.06 0.10 0.00 0.52 0.00 0.00 54.79 52.26 2opu n ASP 58 Cb 0.77 -1.41 0.70 0.00 -0.72 0.00 0.00 41.12 40.46 2opu n ASP 58 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2opu h SER 59 N 6.60 0.00 0.00 1.67 4.64 -1.73 -3.46 113.55 121.28 2opu h SER 59 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2opu h SER 59 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2opu h SER 59 CO 1.12 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 2opu n GLY 60 N -1.21 1.76 0.11 -0.77 0.00 -1.26 -3.85 105.19 99.98 2opu n GLY 60 Ca -0.03 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.31 3.21 -0.02 0.00 -1.26 -4.66 105.19 101.15 2opu n GLY 61 Ca 0.00 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.28 2.02 0.00 0.99 2.01 -1.25 -5.01 118.68 113.16 2opu s LEU 62 Ca 0.06 -0.39 0.28 0.00 0.01 0.00 0.00 54.13 54.09 2opu s LEU 62 Cb 0.10 -1.09 1.04 0.00 0.01 0.00 0.00 46.19 46.25 2opu s LEU 62 CO 0.41 0.24 1.78 -0.81 1.01 0.00 0.00 176.35 178.98 2opu n PRO 63 N 2.69 0.06 0.00 1.29 -0.04 -1.26 -4.17 135.00 133.56 2opu n PRO 63 Ca -0.16 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2opu n PRO 63 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.46 0.00 -3.75 0.54 0.28 -1.26 -4.98 120.64 110.02 2opu n GLU 64 Ca 0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 2opu n GLU 64 Cb 0.33 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.11 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 0.47 0.64 -0.23 3.44 6.06 -0.51 -4.63 118.95 124.20 2opu s ARG 65 Ca 0.00 -0.06 0.02 0.00 -2.50 0.00 0.00 55.73 53.19 2opu s ARG 65 Cb 0.00 0.29 0.05 0.00 0.06 0.00 0.00 34.95 35.35 2opu s ARG 65 CO 0.00 -0.17 -0.10 -1.54 -2.50 0.00 0.00 175.30 170.99 2opu s SER 66 N -1.06 3.83 -0.33 -2.12 1.04 -1.11 -2.07 113.70 111.87 2opu s SER 66 Ca -0.11 -1.10 -0.14 0.00 0.48 0.00 0.00 55.95 55.08 2opu s SER 66 Cb -0.05 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 2opu s SER 66 CO 0.04 -0.17 0.30 -0.69 0.98 0.00 0.00 173.24 173.70 2opu s VAL 67 N 1.29 5.23 -0.03 5.02 1.01 -0.63 -1.20 120.40 131.08 2opu s VAL 67 Ca -0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 2opu s VAL 67 Cb -0.18 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2opu s VAL 67 CO -0.07 -0.02 0.72 -0.44 0.00 0.00 0.00 175.10 175.28 2opu s SER 68 N 1.73 7.05 -0.20 3.32 0.01 -0.44 -1.03 113.70 124.13 2opu s SER 68 Ca 0.09 1.26 0.02 0.00 1.31 0.00 0.00 55.95 58.63 2opu s SER 68 Cb -0.17 -2.43 0.03 0.00 0.21 0.00 0.00 66.02 63.67 2opu s SER 68 CO 0.11 -0.07 -0.17 -0.76 0.41 0.00 0.00 173.24 172.76 2opu s LEU 69 N 0.52 2.50 0.07 2.44 1.43 -0.08 -2.13 118.68 123.42 2opu s LEU 69 Ca 0.38 -0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 2opu s LEU 69 Cb -0.18 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2opu s LEU 69 CO 0.19 -0.06 0.35 0.42 0.23 0.00 0.00 176.35 177.49 2opu s THR 70 N 1.25 0.08 -5.00 5.49 -4.23 -1.14 -1.22 115.64 110.87 2opu s THR 70 Ca 0.01 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2opu s THR 70 Cb -0.15 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.66 2opu s THR 70 CO -0.10 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2opu n GLY 71 N 0.31 0.04 3.83 3.99 0.00 0.29 0.13 105.19 113.78 2opu n GLY 71 Ca -0.18 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 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 3.01 0.24 4.61 0.00 -1.26 -1.47 121.76 125.89 2opu s ALA 72 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 2opu s ALA 72 Cb 0.00 -3.15 0.33 0.00 0.00 0.00 0.00 23.12 20.30 2opu s ALA 72 CO 0.00 -0.13 1.60 -1.35 0.00 0.00 0.00 175.76 175.88 2opu h PRO 73 N 1.35 0.00 0.05 0.00 0.11 -1.98 0.71 132.00 132.23 2opu h PRO 73 Ca -0.48 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 2opu h PRO 73 Cb 1.19 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2opu h PRO 73 CO 0.61 0.00 -1.03 1.49 -0.21 0.00 0.00 178.00 178.86 2opu h GLU 74 N 0.00 0.21 -0.32 1.05 4.81 -1.97 -3.05 114.58 115.31 2opu h GLU 74 Ca 0.38 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 2opu h GLU 74 Cb 0.57 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 2opu h GLU 74 CO -0.80 1.07 -0.36 0.77 -0.73 0.00 0.00 179.01 178.96 2opu h SER 75 N 0.09 0.88 0.18 1.04 0.02 -1.28 -2.47 113.55 112.01 2opu h SER 75 Ca -0.07 -0.48 -0.10 0.00 -0.84 0.00 0.00 61.79 60.29 2opu h SER 75 Cb 1.72 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2opu h SER 75 CO 0.16 1.18 -0.37 1.62 -1.14 0.00 0.00 176.83 178.28 2opu h VAL 76 N 0.60 1.29 -0.39 2.27 3.04 0.26 -2.54 116.25 120.78 2opu h VAL 76 Ca 0.05 -1.44 -0.10 0.00 -1.01 0.00 0.00 66.70 64.20 2opu h VAL 76 Cb 0.95 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 2opu h VAL 76 CO 0.09 0.43 -0.13 -0.61 -1.01 0.00 0.00 177.57 176.34 2opu h GLN 77 N 0.23 0.78 -0.57 4.17 -0.00 -1.42 -1.72 115.11 116.59 2opu h GLN 77 Ca 0.03 -0.32 0.06 0.00 -0.00 0.00 0.00 58.65 58.42 2opu h GLN 77 Cb 0.77 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 28.16 2opu h GLN 77 CO 0.06 0.93 0.27 -0.22 0.00 0.00 0.00 178.83 179.87 2opu h LYS 78 N 0.59 0.48 -0.39 1.69 1.63 -1.13 0.35 116.57 119.80 2opu h LYS 78 Ca 0.09 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 2opu h LYS 78 Cb 0.67 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2opu h LYS 78 CO 0.05 0.32 -0.16 0.00 -3.45 0.00 0.00 179.45 176.21 2opu h ALA 79 N 1.34 1.00 0.00 5.00 0.00 -1.33 -2.83 119.26 122.44 2opu h ALA 79 Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2opu h ALA 79 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2opu h ALA 79 CO -0.22 0.60 -0.43 0.87 0.00 0.00 0.00 179.25 180.07 2opu h LYS 80 N 0.64 0.00 -0.04 0.00 1.57 -0.56 -1.17 116.57 117.02 2opu h LYS 80 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2opu h LYS 80 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2opu h LYS 80 CO 0.04 0.18 0.02 1.98 -0.57 0.00 0.00 179.45 181.11 2opu h MET 81 N 0.00 0.05 -0.46 3.15 4.05 -0.13 0.36 114.93 121.95 2opu h MET 81 Ca -0.02 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 2opu h MET 81 Cb 1.17 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 2opu h MET 81 CO 0.02 0.08 -0.24 0.52 0.23 0.00 0.00 176.91 177.52 2opu h MET 82 N 0.01 0.96 0.87 0.39 2.86 -1.32 -2.58 114.93 116.13 2opu h MET 82 Ca 0.01 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.19 2opu h MET 82 Cb 0.04 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2opu h MET 82 CO -0.00 1.09 -0.42 -0.07 1.06 0.00 0.00 176.91 178.57 2opu h LEU 83 N 0.83 -0.99 -0.97 1.22 -0.00 -1.04 -2.43 115.31 111.93 2opu h LEU 83 Ca 0.10 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.16 2opu h LEU 83 Cb 0.82 0.26 -0.09 0.00 -0.00 0.00 0.00 40.66 41.64 2opu h LEU 83 CO 0.07 -0.65 0.58 -0.78 -0.00 0.00 0.00 178.44 177.66 2opu h ASP 84 N -1.28 0.80 0.41 -0.43 1.82 -0.38 0.19 116.42 117.55 2opu h ASP 84 Ca -0.12 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2opu h ASP 84 Cb 0.90 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 2opu h ASP 84 CO 0.20 0.36 -0.29 -0.78 -1.61 0.00 0.00 179.24 177.12 2opu h ASP 85 N 0.84 -0.73 0.33 2.28 3.58 -1.32 0.27 116.42 121.66 2opu h ASP 85 Ca 0.52 0.05 -0.33 0.00 0.42 0.00 0.00 57.03 57.69 2opu h ASP 85 Cb 0.66 0.23 0.03 0.00 1.72 0.00 0.00 39.33 41.96 2opu h ASP 85 CO -0.32 -0.44 -1.47 0.40 -2.88 0.00 0.00 179.24 174.53 2opu h ILE 86 N -0.68 1.29 0.03 2.25 5.03 -0.99 -2.72 117.51 121.71 2opu h ILE 86 Ca -0.04 -2.76 -0.00 0.00 -0.12 0.00 0.00 64.86 61.94 2opu h ILE 86 Cb 0.58 3.00 0.00 0.00 -3.03 0.00 0.00 36.82 37.36 2opu h ILE 86 CO 0.02 0.83 -0.02 0.58 -0.68 0.00 0.00 178.15 178.88 2opu h VAL 87 N 0.13 0.97 -0.23 1.67 2.07 -0.68 -2.33 116.25 117.85 2opu h VAL 87 Ca -0.24 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2opu h VAL 87 Cb 2.13 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 2opu h VAL 87 CO 0.25 0.00 0.07 -1.28 0.02 0.00 0.00 177.57 176.63 2opu h SER 88 N -0.04 0.06 0.13 0.57 0.87 -1.02 0.27 113.55 114.39 2opu h SER 88 Ca -0.00 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2opu h SER 88 Cb 0.03 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2opu h SER 88 CO 0.01 0.07 -0.02 0.08 -0.53 0.00 0.00 176.83 176.44 2opu h ARG 89 N 0.17 0.00 -0.08 2.24 0.11 -1.29 0.40 114.38 115.93 2opu h ARG 89 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2opu h ARG 89 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2opu h ARG 89 CO -0.12 0.02 0.00 0.41 0.10 0.00 0.00 179.97 180.38 2opu n GLY 90 N -1.01 3.42 1.05 0.08 0.00 -0.69 -4.72 105.19 103.33 2opu n GLY 90 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2opu n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2opu n ARG 91 N -0.52 0.00 0.00 1.61 3.00 0.88 -4.82 116.66 116.81 2opu n ARG 91 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2opu n ARG 91 Cb 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 32.46 32.45 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2opu n GLY 92 N 2.40 0.00 0.00 5.14 0.00 -0.04 -5.04 105.19 107.65 2opu n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93