#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 -5.45 0.00 9.51 7.64 -1.26 -4.81 113.62 119.25 2opu n SER 6 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2opu n SER 6 Cb 0.00 -2.80 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 2opu n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2opu n SER 7 N -3.15 0.00 0.00 6.43 2.88 0.74 -4.79 113.62 115.73 2opu n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2opu n SER 7 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2opu n SER 7 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2opu n GLN 8 N 0.00 0.00 0.00 -1.46 -0.06 -1.26 -0.33 117.38 114.26 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 1.47 -0.20 0.00 0.00 177.06 178.33 2opu n LEU 9 N 0.00 0.00 0.00 1.69 -0.00 0.11 -4.78 117.00 114.02 2opu n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2opu n LEU 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2opu n LEU 9 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2opu n GLY 10 N 0.00 3.42 0.09 1.47 0.00 -1.25 -1.20 105.19 107.74 2opu n GLY 10 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2opu n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2opu n PRO 11 N 0.00 0.18 -3.80 1.61 -0.04 -1.26 -4.77 135.00 126.92 2opu n PRO 11 Ca 0.00 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2opu n PRO 11 Cb 0.00 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 31.59 2opu n PRO 11 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2opu s ILE 12 N -3.18 0.06 -0.93 0.52 2.07 -1.26 -5.09 121.20 113.39 2opu s ILE 12 Ca 0.08 -0.49 0.25 0.00 -1.41 0.00 0.00 60.65 59.08 2opu s ILE 12 Cb 0.11 -0.51 -0.00 0.00 0.13 0.00 0.00 42.46 42.18 2opu s ILE 12 CO 0.46 -0.27 1.36 1.41 -1.91 0.00 0.00 174.94 176.00 2opu n HIS 13 N 1.58 0.08 -0.90 3.50 8.25 -1.26 -3.46 115.22 123.00 2opu n HIS 13 Ca -0.21 0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 56.94 2opu n HIS 13 Cb 0.56 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.60 0.00 -0.46 -0.41 -0.02 -1.26 -4.79 135.00 126.46 2opu n PRO 14 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.38 2opu n PRO 14 Cb 0.35 -0.90 -0.00 0.00 -0.02 0.00 0.00 33.50 32.93 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 2.26 0.00 0.00 0.52 -0.02 -1.26 -3.49 135.00 133.01 2opu n PRO 15 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2opu n PRO 15 Cb 0.58 -0.35 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 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 0.45 0.30 0.00 0.52 -0.04 -1.26 -1.87 135.00 133.11 2opu n PRO 16 Ca 0.04 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 2opu n PRO 16 Cb 0.13 -1.04 0.60 0.00 -0.04 0.00 0.00 33.50 33.15 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 -0.25 0.88 0.00 0.54 -4.01 -0.82 -2.66 116.66 110.34 2opu n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2opu n ARG 17 Cb 0.02 -1.36 0.00 0.00 -3.04 0.00 0.00 32.46 28.08 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2opu n THR 18 N -0.86 0.00 1.99 8.89 5.66 -0.78 -4.83 114.28 124.35 2opu n THR 18 Ca 0.15 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.21 2opu n THR 18 Cb 0.07 0.00 0.34 0.00 -1.55 0.00 0.00 70.33 69.19 2opu n THR 18 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2opu n SER 19 N -0.26 0.00 -2.43 1.09 2.88 -1.05 -3.40 113.62 110.45 2opu n SER 19 Ca 0.00 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 2opu n SER 19 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2opu n SER 19 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2opu n MET 20 N -0.68 1.22 -2.87 -1.46 2.81 -0.61 -4.47 117.12 111.05 2opu n MET 20 Ca 0.09 -2.67 -0.43 0.00 -1.81 0.00 0.00 57.70 52.88 2opu n MET 20 Cb 0.04 -0.82 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.16 4.59 -0.16 2.03 2.01 -0.34 -4.02 115.64 117.59 2opu s THR 21 Ca 0.24 0.84 0.01 0.00 0.31 0.00 0.00 61.69 63.09 2opu s THR 21 Cb 0.34 -4.34 0.02 0.00 0.01 0.00 0.00 72.50 68.53 2opu s THR 21 CO -0.08 -0.65 -0.15 -0.70 -0.69 0.00 0.00 174.62 172.35 2opu s GLU 22 N 3.46 2.41 -0.57 4.92 2.12 0.20 0.05 118.70 131.30 2opu s GLU 22 Ca 0.35 -0.64 -0.20 0.00 0.36 0.00 0.00 54.97 54.84 2opu s GLU 22 Cb -0.12 -2.23 0.08 0.00 0.26 0.00 0.00 34.13 32.12 2opu s GLU 22 CO 0.22 -0.25 0.74 -2.00 -0.54 0.00 0.00 175.26 173.43 2opu s GLU 23 N 1.44 3.10 -0.03 4.30 2.56 0.55 -0.29 118.70 130.33 2opu s GLU 23 Ca 0.04 -1.02 -0.16 0.00 0.00 0.00 0.00 54.97 53.83 2opu s GLU 23 Cb -0.13 -4.19 -0.05 0.00 2.00 0.00 0.00 34.13 31.75 2opu s GLU 23 CO -0.11 -1.49 0.45 -0.47 -0.56 0.00 0.00 175.26 173.08 2opu s TYR 24 N 3.01 3.67 -0.20 5.30 5.04 0.91 -0.18 117.35 134.90 2opu s TYR 24 Ca 0.16 0.99 -0.09 0.00 -2.44 0.00 0.00 57.07 55.69 2opu s TYR 24 Cb -0.20 -2.40 -0.05 0.00 0.35 0.00 0.00 41.96 39.66 2opu s TYR 24 CO 0.10 0.49 0.10 1.03 -1.34 0.00 0.00 175.55 175.92 2opu s ARG 25 N -0.54 4.07 -0.06 4.97 0.52 -1.26 -0.32 118.95 126.33 2opu s ARG 25 Ca 0.25 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 55.17 2opu s ARG 25 Cb -0.17 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.00 2opu s ARG 25 CO 0.13 0.26 -0.02 0.54 0.02 0.00 0.00 175.30 176.23 2opu s VAL 26 N 0.44 0.44 0.37 3.52 0.11 0.11 -4.95 120.40 120.44 2opu s VAL 26 Ca 0.06 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.85 2opu s VAL 26 Cb -0.12 -0.54 -0.11 0.00 -1.53 0.00 0.00 36.38 34.07 2opu s VAL 26 CO -0.00 0.24 1.27 -2.65 -3.33 0.00 0.00 175.10 170.63 2opu n PRO 27 N 4.68 2.02 -0.25 1.54 -0.02 -1.26 -0.04 135.00 141.67 2opu n PRO 27 Ca -0.15 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 2opu n PRO 27 Cb 0.50 -2.32 0.16 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.35 -0.21 0.13 2.55 1.82 -1.90 0.37 116.42 121.52 2opu h ASP 28 Ca -0.46 0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.30 2opu h ASP 28 Cb 1.29 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 2opu h ASP 28 CO 0.61 -0.13 -0.19 1.23 -1.61 0.00 0.00 179.24 179.15 2opu h GLY 29 N 0.16 0.14 2.00 -0.78 0.00 -1.99 -0.93 103.07 101.65 2opu h GLY 29 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2opu h GLY 29 CO -0.60 0.08 0.00 -0.33 0.00 0.00 0.00 176.54 175.69 2opu h MET 30 N 0.12 0.00 -0.22 4.80 2.86 -0.64 -2.32 114.93 119.54 2opu h MET 30 Ca 0.02 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.46 2opu h MET 30 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2opu h MET 30 CO 0.03 0.00 -0.66 0.28 1.06 0.00 0.00 176.91 177.61 2opu h VAL 31 N 0.00 1.27 -0.01 -2.22 2.07 -0.16 0.21 116.25 117.42 2opu h VAL 31 Ca 0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2opu h VAL 31 Cb 0.68 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2opu h VAL 31 CO 0.00 0.60 0.00 1.23 0.02 0.00 0.00 177.57 179.42 2opu h GLY 32 N 0.60 0.00 1.23 2.17 0.00 -1.13 -1.68 103.07 104.27 2opu h GLY 32 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 2opu h GLY 32 CO 0.14 0.00 -1.13 1.41 0.00 0.00 0.00 176.54 176.97 2opu h LEU 33 N 0.00 0.00 -0.65 3.11 3.38 -1.21 -2.42 115.31 117.51 2opu h LEU 33 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2opu h LEU 33 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2opu h LEU 33 CO -0.00 0.47 -0.46 -0.29 0.09 0.00 0.00 178.44 178.25 2opu h ILE 34 N 0.00 0.96 0.00 1.22 6.09 0.11 -1.63 117.51 124.27 2opu h ILE 34 Ca -0.10 -1.84 0.00 0.00 -1.37 0.00 0.00 64.86 61.55 2opu h ILE 34 Cb 1.44 2.11 0.00 0.00 0.47 0.00 0.00 36.82 40.85 2opu h ILE 34 CO 0.04 0.45 -0.62 0.16 -3.07 0.00 0.00 178.15 175.12 2opu h ILE 35 N 0.00 0.00 0.00 2.19 3.07 -1.44 -3.30 117.51 118.03 2opu h ILE 35 Ca -0.00 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.88 2opu h ILE 35 Cb 1.08 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 2opu h ILE 35 CO 0.06 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.77 2opu n GLY 36 N 1.33 0.28 0.27 0.16 0.00 -0.62 -2.16 105.19 104.45 2opu n GLY 36 Ca 0.03 0.74 0.01 0.00 0.00 0.00 0.00 46.02 46.79 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 1.13 0.00 1.61 1.85 -1.26 -4.77 116.66 115.23 2opu n ARG 37 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 2opu n ARG 37 Cb 0.00 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 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 0.35 1.02 0.00 2.89 0.00 -1.02 -4.68 105.19 103.74 2opu n GLY 38 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.95 2.77 0.42 -0.02 0.00 -0.92 -5.00 105.19 100.49 2opu n GLY 39 Ca 0.00 -0.36 0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 0.27 0.08 1.61 4.81 -1.84 -2.78 114.58 116.73 2opu h GLU 40 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2opu h GLU 40 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2opu h GLU 40 CO 0.00 0.18 -0.04 0.37 -0.73 0.00 0.00 179.01 178.79 2opu h GLN 41 N 0.28 -0.10 -0.50 1.92 4.15 -1.82 0.16 115.11 119.19 2opu h GLN 41 Ca 0.47 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.86 2opu h GLN 41 Cb 1.37 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 2opu h GLN 41 CO -0.14 -0.04 0.17 0.97 -1.93 0.00 0.00 178.83 177.87 2opu h ILE 42 N -0.13 1.22 -0.56 2.39 6.09 -1.58 0.22 117.51 125.17 2opu h ILE 42 Ca -0.01 -0.72 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 2opu h ILE 42 Cb 0.11 0.76 -0.03 0.00 0.47 0.00 0.00 36.82 38.13 2opu h ILE 42 CO 0.02 0.27 0.25 0.78 -3.07 0.00 0.00 178.15 176.39 2opu h ASN 43 N 0.67 0.72 0.20 2.19 2.35 -1.52 0.11 115.58 120.30 2opu h ASN 43 Ca 0.16 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2opu h ASN 43 Cb 0.24 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2opu h ASN 43 CO -0.01 0.63 -0.10 0.50 -1.65 0.00 0.00 177.43 176.80 2opu h LYS 44 N 0.79 -0.26 -0.12 0.81 1.63 -0.08 -2.17 116.57 117.17 2opu h LYS 44 Ca 0.19 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2opu h LYS 44 Cb 0.12 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2opu h LYS 44 CO -0.02 0.01 0.08 0.82 -3.45 0.00 0.00 179.45 176.89 2opu h ILE 45 N -0.52 1.03 -0.07 2.00 5.03 0.07 0.19 117.51 125.25 2opu h ILE 45 Ca -0.03 -0.07 -0.18 0.00 -0.12 0.00 0.00 64.86 64.47 2opu h ILE 45 Cb 0.39 0.86 -0.01 0.00 -3.03 0.00 0.00 36.82 35.03 2opu h ILE 45 CO 0.05 0.03 -0.73 0.06 -0.68 0.00 0.00 178.15 176.88 2opu h GLN 46 N 0.16 0.36 0.06 2.37 -0.00 -0.89 -2.45 115.11 114.72 2opu h GLN 46 Ca 0.05 -0.29 -0.28 0.00 -0.00 0.00 0.00 58.65 58.13 2opu h GLN 46 Cb -0.02 0.06 0.02 0.00 -0.00 0.00 0.00 27.48 27.55 2opu h GLN 46 CO -0.01 0.94 -1.13 0.37 -0.00 0.00 0.00 178.83 179.00 2opu h GLN 47 N 0.24 0.63 -0.69 0.06 5.75 -1.23 0.22 115.11 120.09 2opu h GLN 47 Ca -0.03 -0.75 -0.04 0.00 -0.15 0.00 0.00 58.65 57.68 2opu h GLN 47 Cb 1.29 0.23 -0.03 0.00 1.07 0.00 0.00 27.48 30.04 2opu h GLN 47 CO 0.12 1.33 0.29 0.22 -2.65 0.00 0.00 178.83 178.14 2opu h ASP 48 N 0.32 0.92 0.15 -0.69 3.58 -0.62 -3.08 116.42 116.99 2opu h ASP 48 Ca -0.15 -0.12 -0.22 0.00 0.42 0.00 0.00 57.03 56.96 2opu h ASP 48 Cb 1.79 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 42.62 2opu h ASP 48 CO 0.22 0.81 -0.99 0.77 -2.88 0.00 0.00 179.24 177.17 2opu h SER 49 N 0.99 0.49 0.00 2.28 4.64 -1.43 -3.48 113.55 117.04 2opu h SER 49 Ca 0.23 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2opu h SER 49 Cb 0.17 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2opu h SER 49 CO -0.02 1.47 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 2opu n GLY 50 N 1.69 1.14 3.75 -0.77 0.00 0.66 -4.47 105.19 107.18 2opu n GLY 50 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 3.18 3.15 -2.90 0.00 5.02 0.47 -4.49 118.16 122.59 2opu n LYS 52 Ca -0.07 -3.21 -0.43 0.00 -2.02 0.00 0.00 58.31 52.58 2opu n LYS 52 Cb 0.51 -3.49 -0.05 0.00 -0.02 0.00 0.00 35.03 31.99 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 4.27 4.52 -0.42 -0.18 1.01 -1.26 -3.62 120.40 124.73 2opu s VAL 53 Ca 0.54 0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 2opu s VAL 53 Cb 0.05 -4.43 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2opu s VAL 53 CO 0.07 -0.91 0.39 -1.10 0.00 0.00 0.00 175.10 173.54 2opu s GLN 54 N 3.61 3.05 -0.41 2.72 -1.52 -0.29 -4.93 119.66 121.90 2opu s GLN 54 Ca 0.30 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.57 2opu s GLN 54 Cb -0.12 -3.97 0.02 0.00 -0.22 0.00 0.00 33.01 28.72 2opu s GLN 54 CO 0.21 -0.81 1.10 0.42 -0.25 0.00 0.00 175.29 175.96 2opu s ILE 55 N 1.97 4.35 -0.51 1.08 -1.09 -1.26 -0.92 121.20 124.81 2opu s ILE 55 Ca 0.10 1.44 -0.12 0.00 -2.23 0.00 0.00 60.65 59.83 2opu s ILE 55 Cb -0.18 -4.52 0.13 0.00 -1.58 0.00 0.00 42.46 36.32 2opu s ILE 55 CO 0.12 -0.77 0.42 -0.44 -1.23 0.00 0.00 174.94 173.05 2opu s SER 56 N 2.10 5.92 0.33 3.58 0.01 0.42 -4.90 113.70 121.15 2opu s SER 56 Ca 0.46 -1.92 0.11 0.00 1.31 0.00 0.00 55.95 55.91 2opu s SER 56 Cb -0.09 -2.09 0.58 0.00 0.21 0.00 0.00 66.02 64.62 2opu s SER 56 CO 0.24 -0.74 1.75 1.55 0.41 0.00 0.00 173.24 176.45 2opu h PRO 57 N 8.56 0.05 -4.28 12.44 0.13 -1.95 -2.97 132.00 143.98 2opu h PRO 57 Ca -0.23 -0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 64.12 2opu h PRO 57 Cb 1.08 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 2opu h PRO 57 CO 0.92 0.48 1.06 -3.47 -0.23 0.00 0.00 178.00 176.76 2opu n ASP 58 N -4.01 5.35 0.01 1.44 2.03 -1.26 -4.81 116.55 115.30 2opu n ASP 58 Ca -0.02 -3.01 -0.12 0.00 0.52 0.00 0.00 54.79 52.17 2opu n ASP 58 Cb 0.47 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.39 2opu n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2opu h SER 59 N 6.90 0.66 0.00 1.67 0.02 -1.82 -3.47 113.55 117.50 2opu h SER 59 Ca 0.27 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2opu h SER 59 Cb 0.86 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2opu h SER 59 CO 1.18 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 178.63 2opu n GLY 60 N 0.48 2.19 0.06 -3.77 0.00 -1.26 -4.12 105.19 98.77 2opu n GLY 60 Ca -0.05 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.07 3.20 -0.02 0.00 -1.26 -4.81 105.19 101.23 2opu n GLY 61 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.44 2.15 0.42 0.99 1.43 -1.26 -5.00 118.68 114.97 2opu s LEU 62 Ca 0.32 -0.47 0.24 0.00 -1.03 0.00 0.00 54.13 53.18 2opu s LEU 62 Cb 0.20 -0.85 0.41 0.00 0.03 0.00 0.00 46.19 45.99 2opu s LEU 62 CO 0.45 0.13 1.63 1.55 0.23 0.00 0.00 176.35 180.35 2opu h PRO 63 N 5.03 0.00 0.00 1.29 0.13 -1.97 -3.43 132.00 133.05 2opu h PRO 63 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2opu h PRO 63 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2opu h PRO 63 CO 0.45 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.37 2opu n GLU 64 N -3.03 2.09 -3.88 0.86 0.28 -1.26 -4.83 120.64 110.87 2opu n GLU 64 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 2opu n GLU 64 Cb 0.52 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.34 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 1.29 3.46 -0.07 3.44 6.06 0.95 -4.63 118.95 129.45 2opu s ARG 65 Ca 0.00 -0.29 0.05 0.00 -2.50 0.00 0.00 55.73 52.98 2opu s ARG 65 Cb 0.00 -3.09 -0.01 0.00 0.06 0.00 0.00 34.95 31.91 2opu s ARG 65 CO 0.00 0.66 -0.22 -1.54 -2.50 0.00 0.00 175.30 171.71 2opu s SER 66 N -1.95 3.33 -0.10 -2.12 1.04 -1.12 -0.71 113.70 112.05 2opu s SER 66 Ca 0.28 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2opu s SER 66 Cb -0.13 -1.05 0.02 0.00 0.10 0.00 0.00 66.02 64.97 2opu s SER 66 CO 0.19 0.23 -0.10 -0.69 0.98 0.00 0.00 173.24 173.86 2opu s VAL 67 N -0.07 1.12 -0.17 5.02 1.01 0.56 -0.44 120.40 127.42 2opu s VAL 67 Ca -0.05 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 2opu s VAL 67 Cb -0.14 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2opu s VAL 67 CO 0.04 0.38 0.76 -0.44 0.00 0.00 0.00 175.10 175.84 2opu s SER 68 N 1.40 6.87 -0.31 3.32 0.01 -0.10 -0.06 113.70 124.82 2opu s SER 68 Ca -0.00 1.06 -0.09 0.00 1.31 0.00 0.00 55.95 58.23 2opu s SER 68 Cb -0.13 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2opu s SER 68 CO -0.05 -0.35 0.14 -0.76 0.41 0.00 0.00 173.24 172.63 2opu s LEU 69 N 2.02 4.10 -0.15 2.44 2.01 0.60 -1.14 118.68 128.57 2opu s LEU 69 Ca 0.35 -0.63 -0.17 0.00 0.01 0.00 0.00 54.13 53.69 2opu s LEU 69 Cb -0.16 -1.97 0.04 0.00 0.01 0.00 0.00 46.19 44.11 2opu s LEU 69 CO 0.12 -0.22 0.46 -0.89 1.01 0.00 0.00 176.35 176.83 2opu s THR 70 N 1.57 0.01 0.00 5.49 2.01 -1.24 -0.62 115.64 122.86 2opu s THR 70 Ca 0.04 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2opu s THR 70 Cb -0.17 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2opu s THR 70 CO 0.05 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2opu n GLY 71 N 2.55 0.67 3.68 4.40 0.00 -1.09 -0.39 105.19 115.01 2opu n GLY 71 Ca -0.15 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 3.36 0.29 4.61 0.00 -1.26 -1.94 121.76 125.82 2opu s ALA 72 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 51.96 50.02 2opu s ALA 72 Cb 0.00 -0.44 0.68 0.00 0.00 0.00 0.00 23.12 23.36 2opu s ALA 72 CO 0.00 -0.00 1.74 -1.00 0.00 0.00 0.00 175.76 176.49 2opu h PRO 73 N 1.65 0.54 0.10 0.00 0.13 -1.99 0.35 132.00 132.79 2opu h PRO 73 Ca -0.43 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.44 2opu h PRO 73 Cb 1.25 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2opu h PRO 73 CO 0.67 0.36 -1.13 1.49 -0.23 0.00 0.00 178.00 179.16 2opu h GLU 74 N 0.56 0.22 -0.18 0.86 4.57 -1.96 -3.32 114.58 115.33 2opu h GLU 74 Ca 0.54 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2opu h GLU 74 Cb 0.91 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2opu h GLU 74 CO -0.44 1.18 -0.01 0.66 -1.18 0.00 0.00 179.01 179.22 2opu h SER 75 N -0.44 0.33 0.15 1.04 4.64 -1.58 -1.42 113.55 116.27 2opu h SER 75 Ca -0.24 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.67 2opu h SER 75 Cb 1.63 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 2opu h SER 75 CO 0.06 0.57 -0.32 1.62 -0.87 0.00 0.00 176.83 177.89 2opu h VAL 76 N 0.08 1.27 -0.07 0.95 3.04 -0.53 0.11 116.25 121.10 2opu h VAL 76 Ca 0.05 -1.29 -0.19 0.00 -1.01 0.00 0.00 66.70 64.26 2opu h VAL 76 Cb 0.41 1.52 0.01 0.00 -2.01 0.00 0.00 31.29 31.22 2opu h VAL 76 CO 0.01 0.39 -0.70 -0.61 -1.01 0.00 0.00 177.57 175.65 2opu h GLN 77 N 0.23 0.59 0.08 4.17 4.15 -1.63 -2.11 115.11 120.58 2opu h GLN 77 Ca 0.03 -0.55 0.01 0.00 0.77 0.00 0.00 58.65 58.91 2opu h GLN 77 Cb 0.68 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2opu h GLN 77 CO 0.05 1.17 -0.10 -0.22 -1.93 0.00 0.00 178.83 177.80 2opu h LYS 78 N 0.21 -0.20 -0.43 1.69 1.63 -0.82 0.39 116.57 119.03 2opu h LYS 78 Ca -0.07 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 2opu h LYS 78 Cb 1.36 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.98 2opu h LYS 78 CO 0.14 -0.13 0.08 0.00 -3.45 0.00 0.00 179.45 176.09 2opu h ALA 79 N 0.70 0.47 0.00 5.00 0.00 -0.83 -0.19 119.26 124.41 2opu h ALA 79 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2opu h ALA 79 Cb 0.21 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2opu h ALA 79 CO -0.05 -0.32 -0.09 0.87 0.00 0.00 0.00 179.25 179.66 2opu h LYS 80 N 0.21 0.00 -0.19 0.00 1.57 -1.06 -1.87 116.57 115.24 2opu h LYS 80 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2opu h LYS 80 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2opu h LYS 80 CO -0.28 0.09 0.08 0.52 -0.57 0.00 0.00 179.45 179.29 2opu h MET 81 N 0.00 0.27 -0.56 3.15 2.86 0.96 0.24 114.93 121.85 2opu h MET 81 Ca -0.00 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2opu h MET 81 Cb 0.44 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2opu h MET 81 CO 0.01 0.33 0.09 0.52 1.06 0.00 0.00 176.91 178.92 2opu h MET 82 N 0.15 0.94 0.71 1.72 2.86 -1.21 -1.51 114.93 118.59 2opu h MET 82 Ca 0.06 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2opu h MET 82 Cb 0.16 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.72 2opu h MET 82 CO -0.01 0.90 -0.34 -0.07 1.06 0.00 0.00 176.91 178.45 2opu h LEU 83 N 0.83 -0.81 -1.13 1.22 -0.00 -1.16 -2.30 115.31 111.96 2opu h LEU 83 Ca 0.17 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.16 2opu h LEU 83 Cb 0.42 0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 41.23 2opu h LEU 83 CO 0.01 -0.57 0.60 -0.78 -0.00 0.00 0.00 178.44 177.70 2opu h ASP 84 N -0.98 0.89 0.00 -0.43 1.82 -0.56 0.50 116.42 117.66 2opu h ASP 84 Ca -0.10 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.58 2opu h ASP 84 Cb 0.74 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 2opu h ASP 84 CO 0.16 0.54 -0.11 -0.78 -1.61 0.00 0.00 179.24 177.44 2opu h ASP 85 N 1.00 -0.33 0.23 2.28 3.58 -1.02 0.10 116.42 122.26 2opu h ASP 85 Ca 0.42 0.05 -0.31 0.00 0.42 0.00 0.00 57.03 57.60 2opu h ASP 85 Cb 0.30 0.14 0.03 0.00 1.72 0.00 0.00 39.33 41.53 2opu h ASP 85 CO -0.17 -0.16 -1.38 0.40 -2.88 0.00 0.00 179.24 175.04 2opu h ILE 86 N -0.20 1.30 -0.74 2.25 5.03 -1.06 -2.61 117.51 121.49 2opu h ILE 86 Ca 0.04 -2.66 -0.01 0.00 -0.12 0.00 0.00 64.86 62.11 2opu h ILE 86 Cb 0.25 3.06 -0.03 0.00 -3.03 0.00 0.00 36.82 37.06 2opu h ILE 86 CO -0.11 0.79 0.41 0.58 -0.68 0.00 0.00 178.15 179.15 2opu h VAL 87 N 0.05 1.22 -0.48 1.67 2.07 -0.88 -1.47 116.25 118.43 2opu h VAL 87 Ca -0.24 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 2opu h VAL 87 Cb 2.07 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2opu h VAL 87 CO 0.25 0.24 -0.19 -1.28 0.02 0.00 0.00 177.57 176.61 2opu h SER 88 N 1.02 1.01 0.59 0.57 0.87 -0.87 0.25 113.55 116.98 2opu h SER 88 Ca 0.26 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.35 2opu h SER 88 Cb 0.02 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2opu h SER 88 CO -0.04 1.17 -0.40 0.08 -0.53 0.00 0.00 176.83 177.11 2opu h ARG 89 N 0.84 0.00 -0.07 2.24 0.11 -1.07 -2.10 114.38 114.33 2opu h ARG 89 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2opu h ARG 89 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2opu h ARG 89 CO 0.06 0.40 0.00 0.41 0.10 0.00 0.00 179.97 180.94 2opu n GLY 90 N -0.09 3.06 2.13 0.08 0.00 -0.59 -4.85 105.19 104.93 2opu n GLY 90 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.35 0.00 0.00 1.61 0.00 0.57 -4.87 116.66 113.63 2opu n ARG 91 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2opu n ARG 91 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 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 -0.93 -0.06 0.00 5.14 0.00 0.47 -4.94 105.19 104.87 2opu n GLY 92 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93