#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 4.50 0.03 1.61 0.01 -1.26 -5.07 113.70 113.53 2ctm s SER 2 Ca 0.00 -0.50 -0.33 0.00 1.31 0.00 0.00 55.95 56.43 2ctm s SER 2 Cb 0.00 -0.86 -0.11 0.00 0.21 0.00 0.00 66.02 65.26 2ctm s SER 2 CO 0.00 0.09 1.84 -1.20 0.41 0.00 0.00 173.24 174.38 2ctm n SER 3 N -0.09 3.69 0.00 2.44 7.64 -1.26 -4.74 113.62 121.30 2ctm n SER 3 Ca -0.10 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2ctm n SER 3 Cb 0.56 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2ctm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctm n GLY 4 N 4.23 -0.84 2.86 0.23 0.00 -1.26 -5.09 105.19 105.31 2ctm n GLY 4 Ca 0.20 0.42 -0.52 0.00 0.00 0.00 0.00 46.02 46.12 2ctm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctm n SER 5 N -0.10 0.86 -3.69 1.61 2.88 -1.26 -4.89 113.62 109.02 2ctm n SER 5 Ca 0.00 0.83 -0.30 0.00 -1.33 0.00 0.00 58.87 58.07 2ctm n SER 5 Cb 0.00 -0.70 -0.14 0.00 -0.75 0.00 0.00 64.21 62.62 2ctm n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctm s SER 6 N 3.03 3.76 -0.25 -3.46 0.01 -1.26 -5.09 113.70 110.44 2ctm s SER 6 Ca 0.86 -2.07 -0.32 0.00 1.31 0.00 0.00 55.95 55.74 2ctm s SER 6 Cb -1.19 -0.87 -0.09 0.00 0.21 0.00 0.00 66.02 64.09 2ctm s SER 6 CO 0.61 -0.35 2.15 0.61 0.41 0.00 0.00 173.24 176.68 2ctm n GLY 7 N 4.27 0.88 3.92 3.44 0.00 -1.26 -4.95 105.19 111.49 2ctm n GLY 7 Ca 0.04 0.86 -0.27 0.00 0.00 0.00 0.00 46.02 46.65 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 5.92 2.65 0.29 1.61 1.81 -1.26 -5.11 118.95 124.87 2ctm s ARG 8 Ca 1.03 -0.06 -0.13 0.00 -1.72 0.00 0.00 55.73 54.86 2ctm s ARG 8 Cb -0.61 -2.21 0.01 0.00 -0.45 0.00 0.00 34.95 31.68 2ctm s ARG 8 CO 0.44 -0.92 0.56 0.96 -0.68 0.00 0.00 175.30 175.66 2ctm s ILE 9 N -3.12 0.00 -0.04 1.52 -5.25 -1.26 -5.06 121.20 108.00 2ctm s ILE 9 Ca 0.56 -1.32 0.17 0.00 -0.99 0.00 0.00 60.65 59.08 2ctm s ILE 9 Cb -0.11 -2.35 -0.26 0.00 2.95 0.00 0.00 42.46 42.69 2ctm s ILE 9 CO 0.46 0.00 0.38 0.52 -1.79 0.00 0.00 174.94 174.50 2ctm n VAL 10 N -0.45 0.00 -0.07 8.37 0.31 -1.26 -5.09 118.33 120.14 2ctm n VAL 10 Ca -0.03 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2ctm n VAL 10 Cb 0.61 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 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 1.54 -2.40 3.69 2.92 0.00 -1.26 -4.80 105.19 104.89 2ctm n GLY 11 Ca -0.03 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.27 2.82 0.00 1.61 2.02 -1.26 -5.03 118.70 118.59 2ctm s GLU 12 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2ctm s GLU 12 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2ctm s GLU 12 CO 0.00 0.63 1.00 -0.11 0.02 0.00 0.00 175.26 176.80 2ctm n LEU 13 N 1.40 0.00 -0.31 1.80 0.00 -1.26 -0.89 117.00 117.74 2ctm n LEU 13 Ca -0.15 1.00 0.15 0.00 0.00 0.00 0.00 56.01 57.01 2ctm n LEU 13 Cb 0.53 -0.50 0.32 0.00 0.00 0.00 0.00 43.42 43.77 2ctm n LEU 13 CO 0.34 -0.50 0.98 -0.33 0.00 0.00 0.00 177.39 177.89 2ctm h GLU 14 N 0.00 0.24 -0.89 1.96 5.08 -2.04 0.44 114.58 119.36 2ctm h GLU 14 Ca 0.00 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2ctm h GLU 14 Cb 0.00 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 2ctm h GLU 14 CO 0.00 0.16 0.55 1.96 -1.00 0.00 0.00 179.01 180.68 2ctm h GLN 15 N 0.24 0.93 -6.30 2.33 1.08 -1.75 -3.43 115.11 108.20 2ctm h GLN 15 Ca 0.59 -0.06 -0.56 0.00 -1.45 0.00 0.00 58.65 57.17 2ctm h GLN 15 Cb 1.21 -0.21 0.22 0.00 -0.05 0.00 0.00 27.48 28.64 2ctm h GLN 15 CO -0.64 0.61 -1.18 -1.33 -0.95 0.00 0.00 178.83 175.34 2ctm n MET 16 N -4.64 -0.01 -4.01 1.46 2.81 0.15 -4.80 117.12 108.09 2ctm n MET 16 Ca 0.14 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.91 2ctm n MET 16 Cb 0.24 -1.35 -0.14 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.07 0.20 -0.13 2.03 -7.23 0.66 -4.87 120.40 108.99 2ctm s VAL 17 Ca 0.51 -0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.42 2ctm s VAL 17 Cb -0.27 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2ctm s VAL 17 CO 0.72 0.01 0.17 -0.94 -0.31 0.00 0.00 175.10 174.76 2ctm s SER 18 N -0.18 6.40 0.09 4.85 1.04 -1.26 -2.29 113.70 122.34 2ctm s SER 18 Ca -0.00 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.91 2ctm s SER 18 Cb -0.02 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2ctm s SER 18 CO -0.00 0.33 -0.05 -1.61 0.98 0.00 0.00 173.24 172.89 2ctm s GLU 19 N -0.65 0.78 -0.22 4.02 0.41 -0.19 -4.98 118.70 117.86 2ctm s GLU 19 Ca 0.15 -1.31 -0.07 0.00 -0.41 0.00 0.00 54.97 53.33 2ctm s GLU 19 Cb -0.12 -0.07 -0.03 0.00 -1.78 0.00 0.00 34.13 32.12 2ctm s GLU 19 CO 0.04 -0.05 0.05 0.16 -0.49 0.00 0.00 175.26 174.96 2ctm s ASP 20 N -3.01 5.19 -0.19 -0.19 -4.77 -1.26 -1.02 116.67 111.42 2ctm s ASP 20 Ca 0.11 -0.13 -0.01 0.00 -3.30 0.00 0.00 52.55 49.22 2ctm s ASP 20 Cb 0.06 -1.91 0.00 0.00 -1.09 0.00 0.00 42.92 39.99 2ctm s ASP 20 CO -0.06 0.04 -0.13 -0.69 0.70 0.00 0.00 175.17 175.03 2ctm s VAL 21 N 1.14 2.70 -0.62 2.11 1.01 0.04 -4.94 120.40 121.84 2ctm s VAL 21 Ca 0.04 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2ctm s VAL 21 Cb -0.14 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2ctm s VAL 21 CO 0.03 0.49 1.87 -2.16 0.00 0.00 0.00 175.10 175.33 2ctm s PRO 22 N 1.24 2.62 -0.18 2.72 0.04 -1.26 -0.91 135.00 139.27 2ctm s PRO 22 Ca 0.03 0.58 0.01 0.00 0.04 0.00 0.00 61.00 61.66 2ctm s PRO 22 Cb -0.14 -4.41 0.02 0.00 0.04 0.00 0.00 34.50 30.01 2ctm s PRO 22 CO -0.06 -2.76 -0.18 -1.17 0.04 0.00 0.00 177.00 172.86 2ctm s LEU 23 N 9.13 2.12 0.44 -3.56 2.96 0.39 -4.98 118.68 125.19 2ctm s LEU 23 Ca 0.67 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.68 2ctm s LEU 23 Cb -0.12 -1.43 -0.09 0.00 0.50 0.00 0.00 46.19 45.05 2ctm s LEU 23 CO 0.20 -0.02 1.20 -0.67 -1.32 0.00 0.00 176.35 175.73 2ctm n ASP 24 N 4.64 2.13 0.16 3.68 -0.08 -1.26 -4.06 116.55 121.76 2ctm n ASP 24 Ca -0.20 1.06 0.13 0.00 -1.51 0.00 0.00 54.79 54.27 2ctm n ASP 24 Cb 0.50 -1.46 0.50 0.00 2.34 0.00 0.00 41.12 42.99 2ctm n ASP 24 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2ctm h HIS 25 N 1.79 0.00 0.00 -0.67 2.07 -1.87 -2.53 115.15 113.94 2ctm h HIS 25 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2ctm h HIS 25 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 2ctm h HIS 25 CO 0.46 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.86 2ctm n ARG 26 N -2.43 0.14 0.00 5.12 1.74 -1.26 -2.92 116.66 117.05 2ctm n ARG 26 Ca 0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2ctm n ARG 26 Cb 0.29 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2ctm n ARG 26 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2ctm n VAL 27 N -1.41 0.00 0.08 1.55 0.24 -0.98 -4.69 118.33 113.12 2ctm n VAL 27 Ca 0.07 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 2ctm n VAL 27 Cb 0.21 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 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 -1.19 -0.43 6.34 3.86 -1.36 0.19 115.15 122.56 2ctm h HIS 28 Ca 0.00 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2ctm h HIS 28 Cb 0.02 0.52 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 2ctm h HIS 28 CO 0.00 -0.50 0.07 0.00 0.86 0.00 0.00 177.93 178.36 2ctm h ALA 29 N -0.09 0.57 -0.80 2.45 0.00 -1.87 0.20 119.26 119.72 2ctm h ALA 29 Ca 0.04 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.90 2ctm h ALA 29 Cb 0.66 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2ctm h ALA 29 CO -0.29 0.29 0.54 0.00 0.00 0.00 0.00 179.25 179.78 2ctm h ARG 30 N 0.57 0.35 0.07 0.00 2.47 -1.74 -0.04 114.38 116.06 2ctm h ARG 30 Ca 0.13 -0.02 -0.27 0.00 -1.26 0.00 0.00 59.98 58.56 2ctm h ARG 30 Cb 0.38 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2ctm h ARG 30 CO 0.01 0.23 -1.43 0.82 0.56 0.00 0.00 179.97 180.16 2ctm h ILE 31 N 0.36 0.93 -1.00 2.04 2.04 -0.64 -3.36 117.51 117.86 2ctm h ILE 31 Ca 0.40 -2.30 0.17 0.00 1.00 0.00 0.00 64.86 64.13 2ctm h ILE 31 Cb 1.03 2.51 -0.10 0.00 -0.74 0.00 0.00 36.82 39.52 2ctm h ILE 31 CO -0.12 0.60 0.62 0.40 0.00 0.00 0.00 178.15 179.64 2ctm h ILE 32 N -0.51 0.77 0.00 -0.67 2.04 -0.08 -2.84 117.51 116.21 2ctm h ILE 32 Ca -0.34 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2ctm h ILE 32 Cb 1.62 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2ctm h ILE 32 CO -0.04 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.87 2ctm n GLY 33 N -1.33 -1.98 0.04 5.37 0.00 -0.07 -3.24 105.19 103.97 2ctm n GLY 33 Ca 0.22 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 2ctm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm h ALA 34 N 0.00 -0.20 -0.58 4.61 0.00 -1.93 -3.37 119.26 117.79 2ctm h ALA 34 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ctm h ALA 34 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ctm h ALA 34 CO 0.00 -0.19 0.02 -2.13 0.00 0.00 0.00 179.25 176.95 2ctm n ARG 35 N -2.84 4.75 -1.84 0.00 3.00 -1.26 -4.88 116.66 113.58 2ctm n ARG 35 Ca -0.01 -3.16 0.00 0.00 -0.00 0.00 0.00 57.85 54.68 2ctm n ARG 35 Cb 0.03 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.23 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctm n GLY 36 N 0.51 0.40 0.07 5.14 0.00 -1.23 -4.99 105.19 105.10 2ctm n GLY 36 Ca 0.29 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 2ctm n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ctm h LYS 37 N 0.00 0.00 -1.17 1.61 3.64 -1.88 -3.01 116.57 115.76 2ctm h LYS 37 Ca 0.00 0.00 0.43 0.00 -1.27 0.00 0.00 60.65 59.81 2ctm h LYS 37 Cb 0.86 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.53 2ctm h LYS 37 CO 0.00 0.29 0.70 0.00 -2.27 0.00 0.00 179.45 178.17 2ctm h ALA 38 N -0.81 2.44 0.06 5.00 0.00 -1.78 1.41 119.26 125.59 2ctm h ALA 38 Ca -0.07 0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 2ctm h ALA 38 Cb 0.59 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2ctm h ALA 38 CO -0.04 -1.16 -1.22 0.97 0.00 0.00 0.00 179.25 177.79 2ctm h ILE 39 N 0.04 1.49 0.21 0.00 6.09 -1.47 -3.35 117.51 120.52 2ctm h ILE 39 Ca 0.85 -3.15 0.01 0.00 -1.37 0.00 0.00 64.86 61.20 2ctm h ILE 39 Cb 2.43 2.83 -0.03 0.00 0.47 0.00 0.00 36.82 42.53 2ctm h ILE 39 CO -0.61 0.89 -0.30 -0.09 -3.07 0.00 0.00 178.15 174.97 2ctm h ARG 40 N 0.04 -0.55 -0.87 2.19 9.65 0.20 -0.40 114.38 124.64 2ctm h ARG 40 Ca -0.11 0.04 0.25 0.00 -1.10 0.00 0.00 59.98 59.06 2ctm h ARG 40 Cb 1.90 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 30.57 2ctm h ARG 40 CO 0.16 -0.36 0.65 1.57 2.80 0.00 0.00 179.97 184.78 2ctm h LYS 41 N -0.57 0.00 0.03 0.20 2.10 -1.51 0.21 116.57 117.04 2ctm h LYS 41 Ca 0.01 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.54 2ctm h LYS 41 Cb 0.56 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2ctm h LYS 41 CO -0.12 0.00 -0.47 0.82 -2.00 0.00 0.00 179.45 177.68 2ctm h ILE 42 N 0.00 1.52 -0.20 0.07 2.04 -1.33 -2.16 117.51 117.46 2ctm h ILE 42 Ca 0.41 -2.15 0.03 0.00 1.00 0.00 0.00 64.86 64.15 2ctm h ILE 42 Cb 1.71 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 40.62 2ctm h ILE 42 CO -0.00 0.60 0.01 0.24 0.00 0.00 0.00 178.15 179.00 2ctm h MET 43 N -0.38 0.08 -0.31 2.37 2.86 0.57 -2.28 114.93 117.84 2ctm h MET 43 Ca -0.07 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 2ctm h MET 43 Cb 1.25 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2ctm h MET 43 CO 0.09 0.05 -0.20 -0.44 1.06 0.00 0.00 176.91 177.47 2ctm h ASP 44 N 0.08 0.58 -0.36 1.22 5.19 -1.37 0.93 116.42 122.70 2ctm h ASP 44 Ca 0.09 -0.19 0.06 0.00 -0.62 0.00 0.00 57.03 56.37 2ctm h ASP 44 Cb 0.11 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 39.37 2ctm h ASP 44 CO -0.14 0.79 -0.47 -0.08 -3.12 0.00 0.00 179.24 176.22 2ctm h GLU 45 N 0.52 -0.37 -0.26 3.56 4.81 -0.79 -2.08 114.58 119.98 2ctm h GLU 45 Ca 0.08 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2ctm h GLU 45 Cb 0.64 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2ctm h GLU 45 CO 0.05 -0.24 0.00 1.19 -0.73 0.00 0.00 179.01 179.27 2ctm n PHE 46 N -5.41 0.32 -3.45 0.92 3.01 -1.13 -4.96 117.46 106.75 2ctm n PHE 46 Ca -0.02 -0.18 -0.20 0.00 1.01 0.00 0.00 57.45 58.05 2ctm n PHE 46 Cb 0.35 -0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.89 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 1.28 -6.95 -4.22 -1.08 4.76 0.26 -4.87 118.16 107.33 2ctm n LYS 47 Ca 0.16 0.74 -0.24 0.00 -2.87 0.00 0.00 58.31 56.10 2ctm n LYS 47 Cb 0.55 -5.52 -0.07 0.00 -1.84 0.00 0.00 35.03 28.15 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 -3.29 2.82 -0.36 -0.18 -7.23 0.21 -4.90 120.40 107.47 2ctm s VAL 48 Ca 0.45 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2ctm s VAL 48 Cb -0.20 -2.89 0.10 0.00 0.56 0.00 0.00 36.38 33.96 2ctm s VAL 48 CO 0.65 -0.19 0.07 -1.81 -0.31 0.00 0.00 175.10 173.52 2ctm s ASP 49 N -3.78 4.70 0.04 4.85 1.11 -1.13 -4.43 116.67 118.02 2ctm s ASP 49 Ca 0.36 -2.24 -0.30 0.00 0.18 0.00 0.00 52.55 50.55 2ctm s ASP 49 Cb -0.01 -1.61 -0.04 0.00 1.07 0.00 0.00 42.92 42.33 2ctm s ASP 49 CO 0.21 -0.36 1.03 -0.63 1.18 0.00 0.00 175.17 176.60 2ctm s ILE 50 N 0.79 4.57 -0.25 0.77 1.01 -1.26 -1.84 121.20 124.99 2ctm s ILE 50 Ca 0.12 1.90 0.02 0.00 0.00 0.00 0.00 60.65 62.69 2ctm s ILE 50 Cb -0.20 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.11 2ctm s ILE 50 CO -0.08 0.18 -0.11 -0.60 0.00 0.00 0.00 174.94 174.33 2ctm s ARG 51 N 0.79 2.36 0.50 2.79 6.06 -0.15 -4.99 118.95 126.31 2ctm s ARG 51 Ca 0.53 -1.27 -0.15 0.00 -2.50 0.00 0.00 55.73 52.34 2ctm s ARG 51 Cb -0.24 -2.88 -0.07 0.00 0.06 0.00 0.00 34.95 31.82 2ctm s ARG 51 CO 0.29 -0.53 0.95 -0.06 -2.50 0.00 0.00 175.30 173.45 2ctm s PHE 52 N 1.14 3.47 -0.11 5.12 0.40 -1.26 -0.12 117.98 126.63 2ctm s PHE 52 Ca -0.07 1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 57.33 2ctm s PHE 52 Cb -0.19 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 2ctm s PHE 52 CO -0.06 -0.35 1.53 -1.25 0.70 0.00 0.00 175.22 175.80 2ctm s PRO 53 N -4.14 4.15 1.32 0.24 0.04 -1.25 -4.90 135.00 130.46 2ctm s PRO 53 Ca 0.57 1.97 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 2ctm s PRO 53 Cb -0.10 -3.93 0.34 0.00 0.04 0.00 0.00 34.50 30.85 2ctm s PRO 53 CO 0.34 -0.85 0.97 1.14 0.04 0.00 0.00 177.00 178.63 2ctm s GLN 54 N 3.95 -2.13 0.30 4.56 -2.07 -1.26 -4.78 119.66 118.23 2ctm s GLN 54 Ca 0.68 0.47 0.00 0.00 -1.82 0.00 0.00 55.36 54.69 2ctm s GLN 54 Cb -0.29 -1.44 0.52 0.00 -1.09 0.00 0.00 33.01 30.71 2ctm s GLN 54 CO 0.25 -4.43 1.91 1.03 -1.32 0.00 0.00 175.29 172.73 2ctm h SER 55 N -3.11 0.91 -0.82 12.60 0.87 -2.02 -1.30 113.55 120.67 2ctm h SER 55 Ca -0.53 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 59.71 2ctm h SER 55 Cb 1.34 -0.19 -0.20 0.00 -0.44 0.00 0.00 62.40 62.91 2ctm h SER 55 CO 0.39 0.59 0.41 0.61 -0.53 0.00 0.00 176.83 178.29 2ctm n GLY 56 N -1.39 4.05 3.81 5.77 0.00 -1.26 -4.99 105.19 111.17 2ctm n GLY 56 Ca 0.14 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.13 2.91 0.22 4.61 0.00 -0.49 -4.98 121.76 120.91 2ctm s ALA 57 Ca 0.55 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2ctm s ALA 57 Cb 0.45 -3.21 0.21 0.00 0.00 0.00 0.00 23.12 20.57 2ctm s ALA 57 CO 0.12 -0.28 1.58 -1.00 0.00 0.00 0.00 175.76 176.18 2ctm h PRO 58 N 1.37 0.55 -3.24 0.00 0.13 -1.94 -3.38 132.00 125.49 2ctm h PRO 58 Ca -0.49 -0.29 -0.63 0.00 -0.87 0.00 0.00 66.00 63.73 2ctm h PRO 58 Cb 1.21 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.94 2ctm h PRO 58 CO 0.59 0.88 -0.67 -0.51 -0.23 0.00 0.00 178.00 178.06 2ctm s ASP 59 N -6.86 4.08 0.00 1.44 1.01 -1.26 -4.94 116.67 110.14 2ctm s ASP 59 Ca -0.07 -2.89 0.15 0.00 0.71 0.00 0.00 52.55 50.45 2ctm s ASP 59 Cb 0.12 -1.42 0.88 0.00 1.01 0.00 0.00 42.92 43.51 2ctm s ASP 59 CO 0.82 -0.24 1.37 -0.81 0.21 0.00 0.00 175.17 176.52 2ctm n PRO 60 N 3.25 0.40 -0.07 8.23 -0.04 -1.26 -1.86 135.00 143.65 2ctm n PRO 60 Ca 0.06 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2ctm n PRO 60 Cb 0.33 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.09 2.34 -4.17 3.54 0.23 -1.26 -4.45 115.26 110.40 2ctm n ASN 61 Ca 0.10 -2.20 -0.23 0.00 -0.53 0.00 0.00 54.58 51.72 2ctm n ASN 61 Cb 0.07 -0.14 -0.14 0.00 -2.08 0.00 0.00 39.78 37.50 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 -0.67 1.93 -0.57 0.00 -7.23 -0.09 -3.76 120.40 110.01 2ctm s VAL 63 Ca 0.05 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.00 2ctm s VAL 63 Cb -0.07 -1.62 0.08 0.00 0.56 0.00 0.00 36.38 35.32 2ctm s VAL 63 CO 0.01 0.54 0.75 -0.89 -0.31 0.00 0.00 175.10 175.20 2ctm s THR 64 N -0.29 4.70 -0.08 5.32 2.01 0.83 -0.78 115.64 127.36 2ctm s THR 64 Ca 0.01 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 2ctm s THR 64 Cb -0.12 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2ctm s THR 64 CO 0.02 -1.09 0.53 -0.69 -0.69 0.00 0.00 174.62 172.70 2ctm s VAL 65 N 3.05 5.10 0.26 3.82 1.01 -0.19 -0.97 120.40 132.47 2ctm s VAL 65 Ca 0.16 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2ctm s VAL 65 Cb -0.20 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2ctm s VAL 65 CO 0.10 0.35 0.11 -0.89 0.00 0.00 0.00 175.10 174.77 2ctm s THR 66 N 0.36 4.00 0.00 3.92 2.01 -0.77 -1.02 115.64 124.15 2ctm s THR 66 Ca 0.29 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.66 2ctm s THR 66 Cb -0.16 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2ctm s THR 66 CO 0.13 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2ctm n GLY 67 N -1.05 2.10 3.59 4.40 0.00 -0.97 -2.84 105.19 110.42 2ctm n GLY 67 Ca -0.07 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 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 2.94 0.10 0.99 7.99 -1.26 -0.25 117.00 127.51 2ctm n LEU 68 Ca 0.00 0.59 0.11 0.00 -0.01 0.00 0.00 56.01 56.70 2ctm n LEU 68 Cb 0.00 -1.39 0.45 0.00 -0.11 0.00 0.00 43.42 42.37 2ctm n LEU 68 CO 0.00 -2.28 0.82 -0.81 -1.51 0.00 0.00 177.39 173.61 2ctm n PRO 69 N -2.13 0.15 -0.02 3.23 -0.04 -1.26 -1.01 135.00 133.91 2ctm n PRO 69 Ca 0.12 0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.89 2ctm n PRO 69 Cb 0.50 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 2ctm n PRO 69 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2ctm n GLU 70 N -2.05 0.63 0.02 0.54 0.28 -1.26 -3.74 120.64 115.07 2ctm n GLU 70 Ca 0.02 0.27 -0.21 0.00 -0.16 0.00 0.00 57.16 57.09 2ctm n GLU 70 Cb 0.21 -1.78 -0.14 0.00 1.43 0.00 0.00 31.44 31.16 2ctm n GLU 70 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2ctm h ASN 71 N 0.00 0.44 0.11 -1.84 2.35 -1.83 -3.35 115.58 111.46 2ctm h ASN 71 Ca -0.29 -0.87 0.01 0.00 -0.55 0.00 0.00 56.30 54.60 2ctm h ASN 71 Cb 1.99 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 40.20 2ctm h ASN 71 CO 0.07 1.77 -0.15 0.58 -1.65 0.00 0.00 177.43 178.05 2ctm h VAL 72 N 0.08 0.66 -0.99 2.81 2.07 -1.26 -1.09 116.25 118.53 2ctm h VAL 72 Ca -0.39 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.36 2ctm h VAL 72 Cb 2.05 0.66 -0.12 0.00 -1.52 0.00 0.00 31.29 32.36 2ctm h VAL 72 CO 0.12 0.00 0.58 1.05 0.02 0.00 0.00 177.57 179.33 2ctm h GLU 73 N -0.30 0.58 -0.27 1.57 4.11 -1.75 0.24 114.58 118.77 2ctm h GLU 73 Ca 0.02 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 2ctm h GLU 73 Cb 0.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2ctm h GLU 73 CO -0.07 0.39 -0.47 0.93 0.07 0.00 0.00 179.01 179.85 2ctm h GLU 74 N 0.60 0.73 -0.28 1.06 5.08 -1.55 -3.05 114.58 117.17 2ctm h GLU 74 Ca 0.62 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2ctm h GLU 74 Cb 1.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2ctm h GLU 74 CO -0.46 1.04 0.07 0.00 -1.00 0.00 0.00 179.01 178.66 2ctm h ALA 75 N 0.89 0.36 0.00 3.43 0.00 0.64 -3.11 119.26 121.47 2ctm h ALA 75 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ctm h ALA 75 Cb 1.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2ctm h ALA 75 CO 0.10 0.01 -0.31 0.82 0.00 0.00 0.00 179.25 179.87 2ctm h ILE 76 N 0.28 0.32 -1.10 0.00 2.04 -0.96 -0.27 117.51 117.80 2ctm h ILE 76 Ca 0.09 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.27 2ctm h ILE 76 Cb 0.28 0.32 -0.11 0.00 -0.74 0.00 0.00 36.82 36.56 2ctm h ILE 76 CO 0.00 0.00 0.69 -0.78 0.00 0.00 0.00 178.15 178.06 2ctm h ASP 77 N -0.47 0.42 -0.09 1.72 3.58 -1.52 0.34 116.42 120.41 2ctm h ASP 77 Ca 0.06 0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.44 2ctm h ASP 77 Cb 0.55 0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2ctm h ASP 77 CO -0.26 -0.02 -0.69 -0.74 -2.88 0.00 0.00 179.24 174.65 2ctm h HIS 78 N 0.31 0.86 0.91 0.28 2.76 -1.12 -2.21 115.15 116.93 2ctm h HIS 78 Ca 0.68 -0.41 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2ctm h HIS 78 Cb 1.80 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 30.64 2ctm h HIS 78 CO -0.00 1.22 -0.45 0.82 -1.30 0.00 0.00 177.93 178.22 2ctm h ILE 79 N 0.26 0.09 -0.23 6.26 2.04 0.12 -2.59 117.51 123.45 2ctm h ILE 79 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2ctm h ILE 79 Cb 1.34 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2ctm h ILE 79 CO 0.14 0.00 0.16 -0.07 0.00 0.00 0.00 178.15 178.38 2ctm h LEU 80 N -1.23 0.22 -0.46 1.44 3.38 -1.18 -2.16 115.31 115.31 2ctm h LEU 80 Ca -0.12 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2ctm h LEU 80 Cb 0.95 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2ctm h LEU 80 CO 0.20 0.15 0.20 -1.13 0.09 0.00 0.00 178.44 177.95 2ctm h ASN 81 N 0.26 0.26 -0.15 -0.43 -1.24 -1.09 -2.77 115.58 110.42 2ctm h ASN 81 Ca 0.09 0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 2ctm h ASN 81 Cb 0.06 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 2ctm h ASN 81 CO -0.02 0.18 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.04 2ctm h LEU 82 N 0.40 0.43 -0.78 0.34 3.38 -1.04 -3.15 115.31 114.89 2ctm h LEU 82 Ca 0.21 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.86 2ctm h LEU 82 Cb 0.17 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.65 2ctm h LEU 82 CO -0.18 0.85 -0.09 1.21 0.09 0.00 0.00 178.44 180.32 2ctm n GLU 83 N -4.50 -0.07 0.06 1.13 2.13 -0.89 0.32 120.64 118.82 2ctm n GLU 83 Ca -0.06 1.19 -0.13 0.00 0.66 0.00 0.00 57.16 58.83 2ctm n GLU 83 Cb 0.40 -1.84 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 2ctm n GLU 83 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2ctm h GLU 84 N 0.00 -0.18 -0.96 5.31 4.22 -1.56 -0.45 114.58 120.95 2ctm h GLU 84 Ca 0.42 0.01 0.28 0.00 0.08 0.00 0.00 59.36 60.16 2ctm h GLU 84 Cb 0.77 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 2ctm h GLU 84 CO -0.77 0.22 0.48 1.49 -2.18 0.00 0.00 179.01 178.25 2ctm h GLU 85 N -0.65 0.33 0.03 1.92 4.57 -0.10 0.19 114.58 120.88 2ctm h GLU 85 Ca -0.02 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 2ctm h GLU 85 Cb 0.49 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2ctm h GLU 85 CO 0.03 0.22 -0.44 1.88 -1.18 0.00 0.00 179.01 179.52 2ctm h TYR 86 N 0.34 0.38 -0.57 0.92 0.05 -0.90 -3.26 116.97 113.94 2ctm h TYR 86 Ca 0.66 -0.23 0.15 0.00 0.05 0.00 0.00 58.73 59.36 2ctm h TYR 86 Cb 1.42 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 39.10 2ctm h TYR 86 CO -0.08 1.09 0.41 -0.07 -1.05 0.00 0.00 178.16 178.45 2ctm h LEU 87 N -0.43 0.06 -2.18 3.88 3.38 0.71 0.11 115.31 120.84 2ctm h LEU 87 Ca -0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2ctm h LEU 87 Cb 1.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2ctm h LEU 87 CO 0.09 0.03 0.26 0.00 0.09 0.00 0.00 178.44 178.91 2ctm h ALA 88 N 1.72 1.80 -0.48 1.53 0.00 -0.76 -2.67 119.26 120.40 2ctm h ALA 88 Ca 0.27 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.63 2ctm h ALA 88 Cb 1.00 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 2ctm h ALA 88 CO -0.02 -0.37 1.06 -3.47 0.00 0.00 0.00 179.25 176.45 2ctm n ASP 89 N -3.66 6.90 -0.01 0.00 2.03 0.37 -4.15 116.55 118.03 2ctm n ASP 89 Ca 0.02 -3.08 -0.02 0.00 0.52 0.00 0.00 54.79 52.24 2ctm n ASP 89 Cb 0.39 -1.31 -0.01 0.00 -0.72 0.00 0.00 41.12 39.47 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ctm n SER 90 N 1.43 1.66 0.00 1.67 2.88 -1.01 -5.11 113.62 115.15 2ctm n SER 90 Ca 0.54 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2ctm n SER 90 Cb 0.49 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2ctm n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctm n GLY 91 N 3.11 2.45 0.19 0.46 0.00 -1.26 -4.84 105.19 105.30 2ctm n GLY 91 Ca -0.03 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.35 2ctm n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctm h PRO 92 N 0.00 0.00 -6.54 1.61 0.13 -2.00 -3.44 132.00 121.76 2ctm h PRO 92 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2ctm h PRO 92 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2ctm h PRO 92 CO 0.00 0.36 0.56 -1.54 -0.23 0.00 0.00 178.00 177.15 2ctm s SER 93 N -6.57 7.08 0.55 1.44 1.04 -1.26 -4.98 113.70 111.00 2ctm s SER 93 Ca -0.01 2.09 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 2ctm s SER 93 Cb 0.12 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.60 2ctm s SER 93 CO 0.69 -0.44 1.10 -1.20 0.98 0.00 0.00 173.24 174.37 2ctm n SER 94 N 3.50 1.46 0.00 7.02 7.64 -1.26 -5.13 113.62 126.84 2ctm n SER 94 Ca 0.08 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2ctm n SER 94 Cb 0.46 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2ctm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64