#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctm s SER 2 N 0.00 5.93 -0.42 1.61 0.01 -1.26 -5.03 113.70 114.54 2ctm s SER 2 Ca 0.00 -2.16 -0.27 0.00 1.31 0.00 0.00 55.95 54.83 2ctm s SER 2 Cb 0.00 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 2ctm s SER 2 CO 0.00 -0.66 2.27 -0.44 0.41 0.00 0.00 173.24 174.82 2ctm s SER 3 N 2.49 4.87 0.00 2.44 0.01 -1.26 -4.75 113.70 117.50 2ctm s SER 3 Ca 0.09 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2ctm s SER 3 Cb -0.23 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2ctm s SER 3 CO -0.02 -2.52 0.00 0.61 0.41 0.00 0.00 173.24 171.72 2ctm n GLY 4 N 5.88 0.99 3.52 3.44 0.00 -1.26 -4.51 105.19 113.24 2ctm n GLY 4 Ca 0.33 0.63 -0.25 0.00 0.00 0.00 0.00 46.02 46.72 2ctm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctm s SER 5 N -3.35 2.79 0.33 1.61 0.15 -1.26 -5.17 113.70 108.80 2ctm s SER 5 Ca 0.00 -1.64 0.09 0.00 0.70 0.00 0.00 55.95 55.09 2ctm s SER 5 Cb 0.00 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2ctm s SER 5 CO 0.00 -0.90 0.09 -0.94 1.20 0.00 0.00 173.24 172.70 2ctm s SER 6 N -3.60 4.54 0.00 5.45 1.04 -1.26 -5.06 113.70 114.81 2ctm s SER 6 Ca 0.24 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2ctm s SER 6 Cb 0.03 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2ctm s SER 6 CO 0.14 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2ctm n GLY 7 N -1.07 2.20 3.97 7.32 0.00 -1.26 -5.14 105.19 111.20 2ctm n GLY 7 Ca -0.04 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 2ctm n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctm s ARG 8 N -2.75 2.28 0.32 1.61 1.81 -1.26 -5.12 118.95 115.83 2ctm s ARG 8 Ca 0.00 -0.75 -0.03 0.00 -1.72 0.00 0.00 55.73 53.23 2ctm s ARG 8 Cb 0.00 -2.39 0.01 0.00 -0.45 0.00 0.00 34.95 32.12 2ctm s ARG 8 CO 0.00 -0.98 0.46 0.44 -0.68 0.00 0.00 175.30 174.54 2ctm n ILE 9 N -2.57 0.00 -0.06 1.52 -6.64 -1.26 -5.07 119.36 105.28 2ctm n ILE 9 Ca 0.10 -1.54 -0.04 0.00 -1.77 0.00 0.00 62.75 59.50 2ctm n ILE 9 Cb 0.60 0.98 -0.13 0.00 -1.44 0.00 0.00 39.64 39.65 2ctm n ILE 9 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 2ctm n VAL 10 N -0.52 0.83 0.00 7.28 0.31 -1.26 -5.11 118.33 119.86 2ctm n VAL 10 Ca -0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2ctm n VAL 10 Cb 0.53 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 2ctm n VAL 10 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ctm n GLY 11 N 1.90 -1.29 3.79 2.92 0.00 -1.26 -4.83 105.19 106.43 2ctm n GLY 11 Ca -0.20 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.37 2ctm n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctm s GLU 12 N -0.12 2.95 0.07 1.61 0.41 -1.26 -5.04 118.70 117.32 2ctm s GLU 12 Ca 0.00 -0.66 -0.32 0.00 -0.41 0.00 0.00 54.97 53.59 2ctm s GLU 12 Cb 0.00 -2.77 -0.15 0.00 -1.78 0.00 0.00 34.13 29.43 2ctm s GLU 12 CO 0.00 0.57 1.49 -0.07 -0.49 0.00 0.00 175.26 176.77 2ctm h LEU 13 N 3.29 -1.22 -0.87 1.80 3.38 -1.96 -1.91 115.31 117.81 2ctm h LEU 13 Ca -0.46 0.09 0.17 0.00 0.09 0.00 0.00 57.88 57.77 2ctm h LEU 13 Cb 1.16 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 2ctm h LEU 13 CO 0.67 -0.60 0.44 -0.33 0.09 0.00 0.00 178.44 178.70 2ctm h GLU 14 N -0.92 0.55 -1.01 1.13 5.08 -2.04 0.74 114.58 118.12 2ctm h GLU 14 Ca -0.06 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2ctm h GLU 14 Cb 0.79 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 2ctm h GLU 14 CO -0.04 0.37 0.64 1.96 -1.00 0.00 0.00 179.01 180.94 2ctm h GLN 15 N 0.57 1.02 -6.52 2.33 1.08 -1.87 -3.43 115.11 108.30 2ctm h GLN 15 Ca 0.50 -0.06 -0.55 0.00 -1.45 0.00 0.00 58.65 57.08 2ctm h GLN 15 Cb 0.79 -0.23 0.20 0.00 -0.05 0.00 0.00 27.48 28.19 2ctm h GLN 15 CO -0.41 0.68 -0.79 -1.33 -0.95 0.00 0.00 178.83 176.03 2ctm n MET 16 N -4.58 0.04 -3.93 1.46 2.81 0.25 -4.71 117.12 108.46 2ctm n MET 16 Ca 0.18 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.99 2ctm n MET 16 Cb 0.30 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 31.06 2ctm n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ctm s VAL 17 N -2.08 0.10 0.03 2.03 -7.23 0.10 -4.83 120.40 108.51 2ctm s VAL 17 Ca 0.57 -0.04 -0.22 0.00 -1.81 0.00 0.00 61.98 60.48 2ctm s VAL 17 Cb -0.29 -0.09 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 2ctm s VAL 17 CO 0.66 0.03 0.64 -0.94 -0.31 0.00 0.00 175.10 175.19 2ctm s SER 18 N 0.02 7.07 0.01 4.85 1.04 -1.26 -2.79 113.70 122.64 2ctm s SER 18 Ca 0.00 1.27 0.03 0.00 0.48 0.00 0.00 55.95 57.73 2ctm s SER 18 Cb -0.01 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 2ctm s SER 18 CO -0.00 0.11 -0.08 -1.61 0.98 0.00 0.00 173.24 172.64 2ctm s GLU 19 N -0.33 0.61 -0.27 4.02 2.02 -0.40 -4.97 118.70 119.38 2ctm s GLU 19 Ca 0.33 -0.40 -0.14 0.00 0.02 0.00 0.00 54.97 54.78 2ctm s GLU 19 Cb -0.19 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 2ctm s GLU 19 CO 0.19 0.15 0.35 -0.51 0.02 0.00 0.00 175.26 175.46 2ctm s ASP 20 N -0.52 6.23 -0.21 -0.19 1.01 -1.26 -1.04 116.67 120.69 2ctm s ASP 20 Ca 0.00 0.26 -0.03 0.00 0.71 0.00 0.00 52.55 53.50 2ctm s ASP 20 Cb -0.05 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 2ctm s ASP 20 CO 0.00 -0.16 -0.07 -0.69 0.21 0.00 0.00 175.17 174.46 2ctm s VAL 21 N 1.99 3.12 -0.54 -1.27 1.01 -0.19 -4.94 120.40 119.59 2ctm s VAL 21 Ca 0.14 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 2ctm s VAL 21 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2ctm s VAL 21 CO 0.10 0.43 1.82 -2.16 0.00 0.00 0.00 175.10 175.29 2ctm s PRO 22 N 1.44 2.84 -0.08 2.72 0.04 -1.26 -1.57 135.00 139.13 2ctm s PRO 22 Ca 0.05 0.81 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2ctm s PRO 22 Cb -0.14 -4.32 -0.00 0.00 0.04 0.00 0.00 34.50 30.07 2ctm s PRO 22 CO -0.05 -2.46 -0.23 -1.17 0.04 0.00 0.00 177.00 173.12 2ctm s LEU 23 N 8.36 2.04 0.36 -3.56 2.96 0.12 -4.99 118.68 123.97 2ctm s LEU 23 Ca 0.70 -0.52 -0.27 0.00 -0.22 0.00 0.00 54.13 53.82 2ctm s LEU 23 Cb -0.15 -1.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.12 2ctm s LEU 23 CO 0.24 0.18 1.20 -0.62 -1.32 0.00 0.00 176.35 176.03 2ctm s ASP 24 N 0.20 6.73 0.18 3.68 -1.08 -1.26 -4.00 116.67 121.12 2ctm s ASP 24 Ca -0.13 2.45 0.20 0.00 -0.52 0.00 0.00 52.55 54.55 2ctm s ASP 24 Cb -0.16 -2.63 0.87 0.00 -1.46 0.00 0.00 42.92 39.54 2ctm s ASP 24 CO 0.07 -0.54 1.63 0.00 0.52 0.00 0.00 175.17 176.84 2ctm n HIS 25 N 0.50 0.56 0.48 -5.34 1.44 -1.26 -2.02 115.22 109.59 2ctm n HIS 25 Ca 0.02 0.23 0.13 0.00 -2.01 0.00 0.00 57.72 56.08 2ctm n HIS 25 Cb 0.45 -0.86 0.45 0.00 0.12 0.00 0.00 29.99 30.14 2ctm n HIS 25 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ctm h ARG 26 N 0.00 0.00 0.00 -1.40 2.47 -1.95 -3.19 114.38 110.31 2ctm h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ctm h ARG 26 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2ctm h ARG 26 CO 0.00 0.00 -0.49 1.33 0.56 0.00 0.00 179.97 181.37 2ctm n VAL 27 N -2.36 0.00 -0.02 2.04 0.24 -0.86 -4.69 118.33 112.68 2ctm n VAL 27 Ca 0.04 -0.30 -0.01 0.00 -2.04 0.00 0.00 64.34 62.03 2ctm n VAL 27 Cb 0.35 0.79 -0.01 0.00 -1.47 0.00 0.00 33.84 33.50 2ctm n VAL 27 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2ctm h HIS 28 N 0.00 -0.12 -0.80 6.34 3.86 -1.40 0.13 115.15 123.16 2ctm h HIS 28 Ca 0.00 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 2ctm h HIS 28 Cb 0.08 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 2ctm h HIS 28 CO 0.00 -0.03 0.45 0.00 0.86 0.00 0.00 177.93 179.21 2ctm h ALA 29 N -1.02 1.15 -0.73 2.45 0.00 -1.87 0.13 119.26 119.37 2ctm h ALA 29 Ca 0.01 0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.15 2ctm h ALA 29 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2ctm h ALA 29 CO -0.05 0.05 0.51 0.00 0.00 0.00 0.00 179.25 179.76 2ctm h ARG 30 N 0.74 0.12 0.10 0.00 2.47 -1.40 0.15 114.38 116.57 2ctm h ARG 30 Ca 0.39 -0.01 -0.35 0.00 -1.26 0.00 0.00 59.98 58.75 2ctm h ARG 30 Cb 0.39 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2ctm h ARG 30 CO -0.26 0.08 -1.95 -0.89 0.56 0.00 0.00 179.97 177.51 2ctm n ILE 31 N -4.38 1.75 -0.25 2.04 5.41 0.30 -4.18 119.36 120.04 2ctm n ILE 31 Ca 0.14 -0.68 -0.02 0.00 1.00 0.00 0.00 62.75 63.19 2ctm n ILE 31 Cb 0.71 -1.60 0.16 0.00 -0.71 0.00 0.00 39.64 38.20 2ctm n ILE 31 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2ctm h ILE 32 N 0.06 1.23 0.00 1.39 2.04 0.26 -2.99 117.51 119.50 2ctm h ILE 32 Ca -0.40 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2ctm h ILE 32 Cb 2.03 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2ctm h ILE 32 CO 0.09 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.11 2ctm n GLY 33 N -1.16 -0.72 0.00 5.37 0.00 0.41 -3.50 105.19 105.60 2ctm n GLY 33 Ca 0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2ctm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm n ALA 34 N 2.15 0.00 0.21 4.61 0.00 -1.26 -4.55 120.51 121.67 2ctm n ALA 34 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2ctm n ALA 34 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 2ctm n ALA 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2ctm n ARG 35 N -1.86 2.72 -2.07 0.00 0.63 -1.26 -4.87 116.66 109.96 2ctm n ARG 35 Ca 0.00 -1.74 0.00 0.00 -0.92 0.00 0.00 57.85 55.19 2ctm n ARG 35 Cb 0.00 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.24 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctm n GLY 36 N 0.76 0.67 0.12 5.14 0.00 -1.23 -4.99 105.19 105.66 2ctm n GLY 36 Ca 0.16 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2ctm n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ctm n LYS 37 N -0.78 0.58 -0.30 1.61 4.81 -1.23 -3.25 118.16 119.59 2ctm n LYS 37 Ca 0.00 0.47 0.35 0.00 -0.87 0.00 0.00 58.31 58.26 2ctm n LYS 37 Cb 0.47 -1.67 0.73 0.00 0.02 0.00 0.00 35.03 34.59 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ctm h ALA 38 N -0.64 3.08 0.00 3.14 0.00 -1.79 1.04 119.26 124.09 2ctm h ALA 38 Ca -0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2ctm h ALA 38 Cb 1.42 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2ctm h ALA 38 CO -0.27 -1.49 -1.40 1.51 0.00 0.00 0.00 179.25 177.60 2ctm n ILE 39 N -4.03 0.58 -0.04 0.00 0.13 -1.13 -4.11 119.36 110.76 2ctm n ILE 39 Ca 0.25 -0.57 -0.12 0.00 -1.10 0.00 0.00 62.75 61.21 2ctm n ILE 39 Cb 1.27 -0.32 -0.07 0.00 -0.84 0.00 0.00 39.64 39.69 2ctm n ILE 39 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 2ctm h ARG 40 N 0.00 0.21 -0.76 9.51 9.65 0.11 -2.31 114.38 130.79 2ctm h ARG 40 Ca -0.05 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2ctm h ARG 40 Cb 1.15 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.66 2ctm h ARG 40 CO 0.01 0.44 0.50 1.57 2.80 0.00 0.00 179.97 185.29 2ctm h LYS 41 N -0.05 0.90 -0.38 0.20 2.10 -1.59 -1.63 116.57 116.12 2ctm h LYS 41 Ca 0.04 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.59 2ctm h LYS 41 Cb 0.34 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 2ctm h LYS 41 CO 0.01 0.60 0.08 0.82 -2.00 0.00 0.00 179.45 178.95 2ctm h ILE 42 N 0.93 1.23 0.51 0.07 2.04 -1.68 0.59 117.51 121.21 2ctm h ILE 42 Ca 0.30 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2ctm h ILE 42 Cb 0.05 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2ctm h ILE 42 CO -0.09 0.28 -0.25 0.24 0.00 0.00 0.00 178.15 178.34 2ctm h MET 43 N 0.47 -0.66 -0.60 2.37 2.86 -0.84 -2.86 114.93 115.67 2ctm h MET 43 Ca 0.12 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2ctm h MET 43 Cb 0.34 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2ctm h MET 43 CO 0.00 -0.41 0.39 -0.44 1.06 0.00 0.00 176.91 177.52 2ctm h ASP 44 N -0.76 0.69 -0.28 1.22 5.19 -1.33 0.77 116.42 121.92 2ctm h ASP 44 Ca -0.07 -0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.38 2ctm h ASP 44 Cb 0.56 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 39.82 2ctm h ASP 44 CO 0.12 0.51 -0.24 -0.08 -3.12 0.00 0.00 179.24 176.42 2ctm h GLU 45 N 0.81 -0.22 -0.61 3.56 4.57 -0.66 -1.80 114.58 120.23 2ctm h GLU 45 Ca 0.22 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2ctm h GLU 45 Cb -0.08 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2ctm h GLU 45 CO -0.05 -0.15 0.00 1.19 -1.18 0.00 0.00 179.01 178.83 2ctm n PHE 46 N -5.38 1.04 -3.87 0.92 3.01 -1.05 -4.96 117.46 107.16 2ctm n PHE 46 Ca -0.00 -0.55 -0.24 0.00 1.01 0.00 0.00 57.45 57.66 2ctm n PHE 46 Cb 0.30 -0.10 -0.00 0.00 -0.01 0.00 0.00 39.48 39.66 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ctm n LYS 47 N 1.15 -3.89 -4.65 -1.08 4.76 0.23 -4.83 118.16 109.85 2ctm n LYS 47 Ca 0.22 0.48 -0.30 0.00 -2.87 0.00 0.00 58.31 55.85 2ctm n LYS 47 Cb 0.68 -4.78 -0.08 0.00 -1.84 0.00 0.00 35.03 29.01 2ctm n LYS 47 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ctm s VAL 48 N -3.83 1.07 -0.31 -0.18 -7.23 0.90 -4.84 120.40 105.99 2ctm s VAL 48 Ca 0.04 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2ctm s VAL 48 Cb -0.02 -2.34 0.10 0.00 0.56 0.00 0.00 36.38 34.68 2ctm s VAL 48 CO 0.86 0.00 0.09 -0.62 -0.31 0.00 0.00 175.10 175.12 2ctm s ASP 49 N -3.75 4.03 0.15 4.85 -1.08 -0.86 -4.47 116.67 115.54 2ctm s ASP 49 Ca 0.16 -1.63 -0.27 0.00 -0.52 0.00 0.00 52.55 50.30 2ctm s ASP 49 Cb 0.03 -0.90 -0.07 0.00 -1.46 0.00 0.00 42.92 40.51 2ctm s ASP 49 CO 0.09 -0.41 0.83 -0.63 0.52 0.00 0.00 175.17 175.57 2ctm s ILE 50 N 1.58 4.40 -0.15 4.11 1.01 -1.26 -0.38 121.20 130.51 2ctm s ILE 50 Ca 0.09 1.82 0.01 0.00 0.00 0.00 0.00 60.65 62.56 2ctm s ILE 50 Cb -0.17 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.12 2ctm s ILE 50 CO -0.23 0.46 -0.15 -0.60 0.00 0.00 0.00 174.94 174.41 2ctm s ARG 51 N -0.77 2.41 0.23 2.79 3.00 0.13 -4.95 118.95 121.78 2ctm s ARG 51 Ca 0.39 -0.60 -0.10 0.00 -1.00 0.00 0.00 55.73 54.41 2ctm s ARG 51 Cb -0.23 -2.17 -0.07 0.00 0.00 0.00 0.00 34.95 32.48 2ctm s ARG 51 CO 0.27 -0.22 0.56 -0.06 0.00 0.00 0.00 175.30 175.85 2ctm s PHE 52 N 1.41 3.43 0.04 5.12 0.08 -1.26 0.02 117.98 126.83 2ctm s PHE 52 Ca 0.04 0.90 -0.31 0.00 0.12 0.00 0.00 56.93 57.68 2ctm s PHE 52 Cb -0.13 -2.28 -0.06 0.00 -0.57 0.00 0.00 43.02 39.98 2ctm s PHE 52 CO -0.10 0.27 1.42 -1.25 -0.10 0.00 0.00 175.22 175.46 2ctm s PRO 53 N -2.77 4.29 0.93 0.24 0.04 -1.25 -4.94 135.00 131.54 2ctm s PRO 53 Ca 0.47 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 2ctm s PRO 53 Cb -0.11 -3.49 0.15 0.00 0.04 0.00 0.00 34.50 31.09 2ctm s PRO 53 CO 0.21 -0.55 1.11 1.14 0.04 0.00 0.00 177.00 178.95 2ctm s GLN 54 N 2.06 0.99 0.17 4.56 -2.07 -1.26 -4.83 119.66 119.28 2ctm s GLN 54 Ca 0.65 0.50 -0.18 0.00 -1.82 0.00 0.00 55.36 54.51 2ctm s GLN 54 Cb -0.34 -1.80 0.11 0.00 -1.09 0.00 0.00 33.01 29.89 2ctm s GLN 54 CO 0.28 -2.35 1.64 0.77 -1.32 0.00 0.00 175.29 174.32 2ctm h SER 55 N -1.61 -0.59 0.00 12.60 0.02 -2.01 0.42 113.55 122.37 2ctm h SER 55 Ca -0.52 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2ctm h SER 55 Cb 1.32 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2ctm h SER 55 CO 0.59 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 2ctm n GLY 56 N -1.36 -0.90 3.76 -3.77 0.00 -1.26 -4.87 105.19 96.79 2ctm n GLY 56 Ca 0.03 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2ctm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm s ALA 57 N -2.00 2.83 0.09 4.61 0.00 0.15 -4.96 121.76 122.49 2ctm s ALA 57 Ca 0.19 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 2ctm s ALA 57 Cb 0.09 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2ctm s ALA 57 CO 0.15 -1.03 1.41 -1.00 0.00 0.00 0.00 175.76 175.29 2ctm h PRO 58 N 1.60 0.67 -3.46 0.00 0.13 -1.89 -3.38 132.00 125.67 2ctm h PRO 58 Ca -0.50 -0.36 -0.67 0.00 -0.87 0.00 0.00 66.00 63.60 2ctm h PRO 58 Cb 1.28 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 32.04 2ctm h PRO 58 CO 0.58 0.96 -0.46 -0.51 -0.23 0.00 0.00 178.00 178.35 2ctm s ASP 59 N -6.51 4.89 0.00 1.44 1.11 -1.26 -4.92 116.67 111.42 2ctm s ASP 59 Ca -0.12 -3.02 0.16 0.00 0.18 0.00 0.00 52.55 49.75 2ctm s ASP 59 Cb 0.08 -1.77 0.94 0.00 1.07 0.00 0.00 42.92 43.24 2ctm s ASP 59 CO 0.82 -0.29 1.35 -0.81 1.18 0.00 0.00 175.17 177.42 2ctm n PRO 60 N 3.20 0.49 -0.08 8.23 -0.04 -1.26 -1.86 135.00 143.67 2ctm n PRO 60 Ca 0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2ctm n PRO 60 Cb 0.35 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2ctm n PRO 60 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ctm n ASN 61 N -1.00 2.40 -4.12 3.54 0.23 -1.26 -4.44 115.26 110.60 2ctm n ASN 61 Ca 0.12 -2.33 -0.24 0.00 -0.53 0.00 0.00 54.58 51.60 2ctm n ASN 61 Cb 0.05 -0.18 -0.15 0.00 -2.08 0.00 0.00 39.78 37.42 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ctm s VAL 63 N -0.22 2.21 -0.36 0.00 -7.23 -0.61 -3.76 120.40 110.43 2ctm s VAL 63 Ca 0.03 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2ctm s VAL 63 Cb -0.08 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 34.92 2ctm s VAL 63 CO 0.00 -0.05 0.14 -0.89 -0.31 0.00 0.00 175.10 173.99 2ctm s THR 64 N -1.43 3.78 -0.24 5.32 2.01 0.10 -1.02 115.64 124.17 2ctm s THR 64 Ca 0.16 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.76 2ctm s THR 64 Cb -0.09 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 2ctm s THR 64 CO 0.08 -0.29 0.22 -0.69 -0.69 0.00 0.00 174.62 173.25 2ctm s VAL 65 N 1.37 5.31 0.22 3.82 1.01 -0.21 0.21 120.40 132.13 2ctm s VAL 65 Ca -0.00 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.33 2ctm s VAL 65 Cb -0.21 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2ctm s VAL 65 CO 0.02 0.31 0.35 -0.89 0.00 0.00 0.00 175.10 174.89 2ctm s THR 66 N 1.21 5.27 0.00 3.92 2.01 0.48 -1.28 115.64 127.25 2ctm s THR 66 Ca 0.10 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2ctm s THR 66 Cb -0.14 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2ctm s THR 66 CO 0.06 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 2ctm n GLY 67 N -1.16 3.09 3.24 4.40 0.00 -1.12 -2.02 105.19 111.62 2ctm n GLY 67 Ca -0.08 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2ctm n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ctm n LEU 68 N 0.00 -3.20 0.23 0.99 7.99 -1.26 -0.73 117.00 121.02 2ctm n LEU 68 Ca 0.00 0.52 0.11 0.00 -0.01 0.00 0.00 56.01 56.63 2ctm n LEU 68 Cb 0.00 -0.91 0.54 0.00 -0.11 0.00 0.00 43.42 42.93 2ctm n LEU 68 CO 0.00 -4.71 0.85 1.55 -1.51 0.00 0.00 177.39 173.57 2ctm h PRO 69 N -0.34 0.00 0.00 3.23 0.13 -1.86 -0.63 132.00 132.53 2ctm h PRO 69 Ca -0.43 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 2ctm h PRO 69 Cb 1.39 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.48 2ctm h PRO 69 CO 0.37 0.19 -1.36 1.05 -0.23 0.00 0.00 178.00 178.03 2ctm h GLU 70 N 0.00 0.00 0.19 0.86 -0.00 -2.00 -3.18 114.58 110.45 2ctm h GLU 70 Ca -0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.03 2ctm h GLU 70 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.40 2ctm h GLU 70 CO 0.03 0.70 -1.53 -0.91 -0.00 0.00 0.00 179.01 177.29 2ctm h ASN 71 N 0.00 0.61 -0.18 3.06 2.35 -1.85 -3.30 115.58 116.28 2ctm h ASN 71 Ca -0.16 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 54.82 2ctm h ASN 71 Cb 1.87 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 2ctm h ASN 71 CO 0.10 1.62 0.07 0.58 -1.65 0.00 0.00 177.43 178.15 2ctm h VAL 72 N 0.11 1.16 -0.95 2.81 2.07 -1.26 -1.86 116.25 118.32 2ctm h VAL 72 Ca -0.26 -0.47 0.17 0.00 0.82 0.00 0.00 66.70 66.96 2ctm h VAL 72 Cb 2.09 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.92 2ctm h VAL 72 CO 0.21 0.15 0.60 1.05 0.02 0.00 0.00 177.57 179.61 2ctm h GLU 73 N 0.13 0.69 -0.23 1.57 4.11 -1.69 0.03 114.58 119.19 2ctm h GLU 73 Ca 0.06 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.26 2ctm h GLU 73 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ctm h GLU 73 CO -0.00 0.45 -0.61 0.93 0.07 0.00 0.00 179.01 179.85 2ctm h GLU 74 N 0.71 0.79 0.10 1.06 5.08 -1.56 -3.20 114.58 117.55 2ctm h GLU 74 Ca 0.51 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ctm h GLU 74 Cb 0.84 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2ctm h GLU 74 CO -0.27 1.16 -0.05 0.00 -1.00 0.00 0.00 179.01 178.85 2ctm h ALA 75 N 0.72 -0.13 -0.55 3.43 0.00 -0.23 -3.12 119.26 119.38 2ctm h ALA 75 Ca -0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2ctm h ALA 75 Cb 1.21 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 2ctm h ALA 75 CO 0.13 -0.52 -0.33 0.82 0.00 0.00 0.00 179.25 179.34 2ctm h ILE 76 N -0.24 0.18 -1.00 0.00 2.04 -1.19 0.22 117.51 117.51 2ctm h ILE 76 Ca -0.01 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.20 2ctm h ILE 76 Cb 0.20 0.18 -0.16 0.00 -0.74 0.00 0.00 36.82 36.30 2ctm h ILE 76 CO 0.02 0.00 0.54 -0.78 0.00 0.00 0.00 178.15 177.94 2ctm h ASP 77 N -0.18 0.42 -0.13 1.72 1.82 -1.54 0.46 116.42 119.00 2ctm h ASP 77 Ca 0.22 0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.98 2ctm h ASP 77 Cb 0.55 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2ctm h ASP 77 CO -0.65 -0.25 -0.31 -0.74 -1.61 0.00 0.00 179.24 175.68 2ctm h HIS 78 N 0.20 0.56 0.07 0.28 2.76 -0.63 -1.89 115.15 116.49 2ctm h HIS 78 Ca 0.77 -0.21 0.02 0.00 -2.20 0.00 0.00 60.37 58.75 2ctm h HIS 78 Cb 1.87 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.70 2ctm h HIS 78 CO -0.02 0.93 -0.17 0.82 -1.30 0.00 0.00 177.93 178.18 2ctm h ILE 79 N 0.02 0.60 -0.46 6.26 2.04 0.72 -2.21 117.51 124.47 2ctm h ILE 79 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2ctm h ILE 79 Cb 0.92 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2ctm h ILE 79 CO 0.07 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.26 2ctm h LEU 80 N -0.32 0.64 -0.38 1.44 3.38 -1.06 -2.36 115.31 116.65 2ctm h LEU 80 Ca 0.03 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2ctm h LEU 80 Cb 0.35 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2ctm h LEU 80 CO -0.12 0.64 -0.02 -1.13 0.09 0.00 0.00 178.44 177.91 2ctm h ASN 81 N 0.68 -0.19 0.58 -0.43 -1.24 -0.75 -0.84 115.58 113.39 2ctm h ASN 81 Ca 0.15 0.09 -0.10 0.00 0.71 0.00 0.00 56.30 57.16 2ctm h ASN 81 Cb 0.25 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2ctm h ASN 81 CO -0.00 -0.06 -0.47 -0.07 -1.29 0.00 0.00 177.43 175.54 2ctm h LEU 82 N 0.09 0.00 -0.71 0.34 3.38 -1.21 -3.03 115.31 114.16 2ctm h LEU 82 Ca 0.19 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2ctm h LEU 82 Cb 0.27 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 2ctm h LEU 82 CO -0.33 0.47 0.32 -0.08 0.09 0.00 0.00 178.44 178.92 2ctm h GLU 83 N 0.00 0.51 -0.05 1.13 4.81 -0.62 0.15 114.58 120.51 2ctm h GLU 83 Ca -0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2ctm h GLU 83 Cb 0.89 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2ctm h GLU 83 CO 0.06 0.33 -0.20 0.93 -0.73 0.00 0.00 179.01 179.41 2ctm h GLU 84 N 0.52 0.22 0.36 1.92 5.08 -1.43 -2.24 114.58 119.02 2ctm h GLU 84 Ca 0.37 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2ctm h GLU 84 Cb 0.46 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2ctm h GLU 84 CO -0.32 0.82 -0.47 1.49 -1.00 0.00 0.00 179.01 179.53 2ctm h GLU 85 N -0.33 -0.84 -0.04 2.33 4.81 -1.33 0.63 114.58 119.80 2ctm h GLU 85 Ca -0.01 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2ctm h GLU 85 Cb 0.85 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2ctm h GLU 85 CO 0.04 -0.56 -0.13 1.88 -0.73 0.00 0.00 179.01 179.51 2ctm h TYR 86 N -0.87 -0.34 -0.89 0.92 0.05 -0.83 -2.14 116.97 112.87 2ctm h TYR 86 Ca -0.03 0.01 0.17 0.00 0.05 0.00 0.00 58.73 58.93 2ctm h TYR 86 Cb 0.80 0.16 -0.10 0.00 1.01 0.00 0.00 36.73 38.59 2ctm h TYR 86 CO -0.29 -0.20 0.47 -0.07 -1.05 0.00 0.00 178.16 177.02 2ctm h LEU 87 N -0.20 0.57 -1.59 3.88 3.38 -1.20 0.20 115.31 120.34 2ctm h LEU 87 Ca 0.06 0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.32 2ctm h LEU 87 Cb 0.28 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2ctm h LEU 87 CO -0.16 0.21 0.76 0.00 0.09 0.00 0.00 178.44 179.33 2ctm h ALA 88 N 1.60 2.42 -0.89 1.53 0.00 -0.17 -1.49 119.26 122.26 2ctm h ALA 88 Ca 0.50 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.67 2ctm h ALA 88 Cb 0.77 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.39 2ctm h ALA 88 CO -0.39 -1.09 1.32 -3.47 0.00 0.00 0.00 179.25 175.63 2ctm n ASP 89 N -3.47 7.44 -0.01 0.00 -0.08 0.68 -4.57 116.55 116.54 2ctm n ASP 89 Ca 0.13 -3.47 -0.21 0.00 -1.51 0.00 0.00 54.79 49.73 2ctm n ASP 89 Cb 0.98 -1.22 -0.13 0.00 2.34 0.00 0.00 41.12 43.09 2ctm n ASP 89 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2ctm h SER 90 N 3.86 0.30 -0.99 1.67 0.87 -1.47 -3.49 113.55 114.31 2ctm h SER 90 Ca 0.57 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2ctm h SER 90 Cb 0.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2ctm h SER 90 CO 1.26 1.58 0.00 0.61 -0.53 0.00 0.00 176.83 179.75 2ctm n GLY 91 N 1.70 7.07 3.60 5.77 0.00 -1.26 -5.08 105.19 116.99 2ctm n GLY 91 Ca -0.26 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 2ctm n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctm s PRO 92 N 0.73 3.42 -0.16 1.61 0.04 -1.26 -4.88 135.00 134.49 2ctm s PRO 92 Ca 0.00 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 2ctm s PRO 92 Cb 0.00 -4.15 -0.13 0.00 0.04 0.00 0.00 34.50 30.27 2ctm s PRO 92 CO 0.00 -1.76 0.17 0.66 0.04 0.00 0.00 177.00 176.11 2ctm h SER 93 N 12.23 0.00 -2.76 6.66 4.64 -1.98 -3.47 113.55 128.87 2ctm h SER 93 Ca -0.32 -0.37 -0.56 0.00 -0.47 0.00 0.00 61.79 60.07 2ctm h SER 93 Cb 1.15 0.00 0.20 0.00 -0.31 0.00 0.00 62.40 63.44 2ctm h SER 93 CO 1.04 1.02 -0.87 -1.20 -0.87 0.00 0.00 176.83 175.95 2ctm n SER 94 N -4.58 -2.80 -0.38 4.97 7.64 -1.26 -5.25 113.62 111.96 2ctm n SER 94 Ca -0.15 0.48 0.05 0.00 1.01 0.00 0.00 58.87 60.25 2ctm n SER 94 Cb 0.41 -1.05 0.04 0.00 -1.01 0.00 0.00 64.21 62.60 2ctm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64