#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 0.99 -0.48 1.61 0.01 -1.26 -5.06 113.70 109.52 2ctm s SER 2 Ca 0.00 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.84 2ctm s SER 2 Cb 0.00 -0.01 0.44 0.00 0.21 0.00 0.00 66.02 66.66 2ctm s SER 2 CO 0.00 -0.11 1.48 -1.54 0.41 0.00 0.00 173.24 173.48 2ctm n SER 3 N 1.80 5.86 -4.68 2.44 3.41 -1.26 -5.01 113.62 116.18 2ctm n SER 3 Ca -0.20 -3.76 -0.35 0.00 -0.26 0.00 0.00 58.87 54.30 2ctm n SER 3 Cb 0.55 -0.60 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 2ctm n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctm s GLY 4 N -2.87 1.95 -0.06 5.00 0.00 -1.26 -5.08 107.32 105.00 2ctm s GLY 4 Ca 0.54 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 44.23 2ctm s GLY 4 CO -0.07 -0.06 0.95 -0.56 0.00 0.00 0.00 173.10 173.35 2ctm s SER 5 N 0.05 -0.34 0.46 1.64 0.01 -1.26 -5.15 113.70 109.11 2ctm s SER 5 Ca 0.06 0.07 -0.21 0.00 1.31 0.00 0.00 55.95 57.19 2ctm s SER 5 Cb -0.12 0.34 -0.13 0.00 0.21 0.00 0.00 66.02 66.32 2ctm s SER 5 CO 0.01 -0.52 0.37 -1.54 0.41 0.00 0.00 173.24 171.96 2ctm n SER 6 N -0.05 -1.63 -3.22 2.44 3.41 -1.26 -4.98 113.62 108.32 2ctm n SER 6 Ca -0.08 0.83 -0.01 0.00 -0.26 0.00 0.00 58.87 59.34 2ctm n SER 6 Cb 0.61 -1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 2ctm n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctm s GLY 7 N -1.01 -1.07 0.46 5.00 0.00 -1.26 -5.16 107.32 104.29 2ctm s GLY 7 Ca 0.63 0.24 -0.02 0.00 0.00 0.00 0.00 44.72 45.57 2ctm s GLY 7 CO 0.59 3.52 0.71 0.50 0.00 0.00 0.00 173.10 178.41 2ctm s ARG 8 N 2.04 3.22 0.30 2.90 1.81 -1.26 -5.11 118.95 122.86 2ctm s ARG 8 Ca 0.14 -0.24 -0.16 0.00 -1.72 0.00 0.00 55.73 53.75 2ctm s ARG 8 Cb -0.07 -2.50 0.02 0.00 -0.45 0.00 0.00 34.95 31.95 2ctm s ARG 8 CO -0.12 -0.24 0.66 0.96 -0.68 0.00 0.00 175.30 175.88 2ctm s ILE 9 N -2.61 0.00 -0.23 1.52 -5.25 -1.26 -5.09 121.20 108.28 2ctm s ILE 9 Ca 0.47 -1.14 -0.18 0.00 -0.99 0.00 0.00 60.65 58.81 2ctm s ILE 9 Cb -0.10 -2.31 -0.15 0.00 2.95 0.00 0.00 42.46 42.85 2ctm s ILE 9 CO 0.40 0.00 -0.03 0.52 -1.79 0.00 0.00 174.94 174.04 2ctm n VAL 10 N -0.47 1.53 0.00 8.37 0.31 -1.26 -5.07 118.33 121.74 2ctm n VAL 10 Ca -0.04 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2ctm n VAL 10 Cb 0.60 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 1.37 0.74 3.88 2.92 0.00 -1.26 -4.77 105.19 108.07 2ctm n GLY 11 Ca -0.39 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.12 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 -1.19 3.47 0.24 1.61 0.41 -1.26 -4.98 118.70 116.99 2ctm s GLU 12 Ca 0.00 -0.12 -0.14 0.00 -0.41 0.00 0.00 54.97 54.30 2ctm s GLU 12 Cb 0.00 -3.18 0.29 0.00 -1.78 0.00 0.00 34.13 29.46 2ctm s GLU 12 CO 0.00 0.76 1.58 -0.07 -0.49 0.00 0.00 175.26 177.04 2ctm h LEU 13 N 4.83 -1.04 -0.74 1.80 3.38 -1.95 0.50 115.31 122.08 2ctm h LEU 13 Ca -0.54 0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2ctm h LEU 13 Cb 1.22 0.60 -0.06 0.00 0.09 0.00 0.00 40.66 42.52 2ctm h LEU 13 CO 0.59 -0.29 0.42 -0.33 0.09 0.00 0.00 178.44 178.92 2ctm h GLU 14 N -0.03 0.72 -0.68 1.13 5.08 -2.04 -1.92 114.58 116.85 2ctm h GLU 14 Ca 0.36 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2ctm h GLU 14 Cb 0.61 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2ctm h GLU 14 CO -0.88 0.48 0.40 1.96 -1.00 0.00 0.00 179.01 179.97 2ctm h GLN 15 N 0.74 0.92 -6.74 2.33 1.08 -0.50 -3.44 115.11 109.51 2ctm h GLN 15 Ca 0.34 -0.09 -0.54 0.00 -1.45 0.00 0.00 58.65 56.91 2ctm h GLN 15 Cb 0.26 -0.19 0.20 0.00 -0.05 0.00 0.00 27.48 27.70 2ctm h GLN 15 CO -0.21 0.66 -0.50 -1.33 -0.95 0.00 0.00 178.83 176.50 2ctm n MET 16 N -4.55 -0.05 -4.27 1.46 2.81 -0.13 -4.73 117.12 107.66 2ctm n MET 16 Ca 0.05 0.03 -0.18 0.00 -1.81 0.00 0.00 57.70 55.80 2ctm n MET 16 Cb 0.06 -1.85 -0.15 0.00 -0.71 0.00 0.00 33.22 30.57 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 -2.20 0.58 -0.31 2.03 -7.23 0.10 -4.83 120.40 108.54 2ctm s VAL 17 Ca 0.60 -0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 60.33 2ctm s VAL 17 Cb -0.26 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 2ctm s VAL 17 CO 0.64 0.17 0.32 -0.94 -0.31 0.00 0.00 175.10 174.98 2ctm s SER 18 N -0.09 6.16 0.31 4.85 1.04 -1.26 -2.21 113.70 122.50 2ctm s SER 18 Ca 0.02 -0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.49 2ctm s SER 18 Cb -0.04 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 2ctm s SER 18 CO -0.00 -0.23 -0.03 -1.61 0.98 0.00 0.00 173.24 172.35 2ctm s GLU 19 N 1.96 2.05 -0.16 4.02 0.41 -0.28 -4.96 118.70 121.75 2ctm s GLU 19 Ca 0.11 -1.68 -0.03 0.00 -0.41 0.00 0.00 54.97 52.96 2ctm s GLU 19 Cb -0.16 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.21 2ctm s GLU 19 CO 0.11 0.22 -0.05 -0.51 -0.49 0.00 0.00 175.26 174.55 2ctm s ASP 20 N -3.67 4.71 -0.17 -0.19 1.11 -1.26 -1.02 116.67 116.19 2ctm s ASP 20 Ca 0.33 -0.16 0.01 0.00 0.18 0.00 0.00 52.55 52.91 2ctm s ASP 20 Cb -0.02 -1.77 0.02 0.00 1.07 0.00 0.00 42.92 42.23 2ctm s ASP 20 CO 0.19 0.16 -0.16 -0.69 1.18 0.00 0.00 175.17 175.85 2ctm s VAL 21 N 0.40 1.75 -0.63 -1.27 1.01 0.53 -4.96 120.40 117.23 2ctm s VAL 21 Ca -0.05 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 2ctm s VAL 21 Cb -0.14 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2ctm s VAL 21 CO 0.03 0.44 1.87 -2.16 0.00 0.00 0.00 175.10 175.28 2ctm s PRO 22 N 1.41 2.62 -0.22 2.72 0.04 -1.26 -0.96 135.00 139.35 2ctm s PRO 22 Ca 0.04 0.57 -0.00 0.00 0.04 0.00 0.00 61.00 61.64 2ctm s PRO 22 Cb -0.13 -4.42 0.02 0.00 0.04 0.00 0.00 34.50 30.01 2ctm s PRO 22 CO -0.11 -2.77 -0.12 -1.17 0.04 0.00 0.00 177.00 172.87 2ctm s LEU 23 N 9.14 2.74 0.35 -3.56 2.96 0.11 -4.98 118.68 125.44 2ctm s LEU 23 Ca 0.67 -0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 53.55 2ctm s LEU 23 Cb -0.12 -1.58 -0.13 0.00 0.50 0.00 0.00 46.19 44.85 2ctm s LEU 23 CO 0.20 -0.07 0.78 -0.67 -1.32 0.00 0.00 176.35 175.27 2ctm n ASP 24 N 4.63 0.18 0.10 3.68 -0.08 -1.26 -4.08 116.55 119.73 2ctm n ASP 24 Ca -0.18 1.05 0.12 0.00 -1.51 0.00 0.00 54.79 54.27 2ctm n ASP 24 Cb 0.48 -1.19 0.45 0.00 2.34 0.00 0.00 41.12 43.20 2ctm n ASP 24 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2ctm n HIS 25 N -0.33 0.76 0.33 -0.67 -0.00 -1.26 -2.68 115.22 111.37 2ctm n HIS 25 Ca 0.11 0.26 0.13 0.00 -0.00 0.00 0.00 57.72 58.22 2ctm n HIS 25 Cb 0.35 -0.92 0.36 0.00 -0.00 0.00 0.00 29.99 29.79 2ctm n HIS 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ctm h ARG 26 N 0.00 0.00 -0.16 1.57 3.08 -1.94 -3.10 114.38 113.83 2ctm h ARG 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ctm h ARG 26 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2ctm h ARG 26 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 2ctm n VAL 27 N -2.86 0.63 0.50 2.04 0.24 -1.09 -4.65 118.33 113.13 2ctm n VAL 27 Ca 0.03 -0.81 -0.20 0.00 -2.04 0.00 0.00 64.34 61.32 2ctm n VAL 27 Cb 0.43 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.48 -1.16 -0.60 6.34 3.86 -1.45 -1.61 115.15 122.01 2ctm h HIS 28 Ca 0.00 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 2ctm h HIS 28 Cb 0.54 0.38 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 2ctm h HIS 28 CO 0.10 -0.72 0.24 0.00 0.86 0.00 0.00 177.93 178.41 2ctm h ALA 29 N -1.17 0.79 -0.84 2.45 0.00 -1.84 0.13 119.26 118.77 2ctm h ALA 29 Ca -0.13 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.77 2ctm h ALA 29 Cb 0.96 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2ctm h ALA 29 CO 0.21 0.40 0.55 0.00 0.00 0.00 0.00 179.25 180.42 2ctm h ARG 30 N 0.84 0.54 0.00 0.00 3.08 -1.81 -1.79 114.38 115.23 2ctm h ARG 30 Ca 0.20 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2ctm h ARG 30 Cb 0.21 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2ctm h ARG 30 CO -0.02 0.35 -0.65 0.82 -1.07 0.00 0.00 179.97 179.41 2ctm h ILE 31 N 0.55 1.27 -0.84 2.04 2.04 -0.86 -3.37 117.51 118.35 2ctm h ILE 31 Ca 0.42 -2.20 0.16 0.00 1.00 0.00 0.00 64.86 64.24 2ctm h ILE 31 Cb 0.83 2.65 -0.15 0.00 -0.74 0.00 0.00 36.82 39.41 2ctm h ILE 31 CO -0.17 0.43 -0.27 0.40 0.00 0.00 0.00 178.15 178.54 2ctm h ILE 32 N -1.00 0.12 0.00 -0.67 2.04 -0.45 -3.17 117.51 114.38 2ctm h ILE 32 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2ctm h ILE 32 Cb 1.12 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2ctm h ILE 32 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.65 2ctm n GLY 33 N -1.52 2.34 0.37 5.37 0.00 -0.70 -2.32 105.19 108.72 2ctm n GLY 33 Ca 0.11 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.73 -0.53 4.61 0.00 -1.92 -2.24 119.26 118.45 2ctm h ALA 34 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2ctm h ALA 34 Cb 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2ctm h ALA 34 CO 0.00 -0.92 0.11 0.54 0.00 0.00 0.00 179.25 178.98 2ctm n ARG 35 N -4.84 3.41 -1.57 0.00 5.12 -1.26 -4.90 116.66 112.62 2ctm n ARG 35 Ca -0.04 -3.04 -0.09 0.00 -1.93 0.00 0.00 57.85 52.75 2ctm n ARG 35 Cb 0.28 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.49 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ctm n GLY 36 N -0.29 0.71 0.09 -0.13 0.00 -0.84 -4.93 105.19 99.80 2ctm n GLY 36 Ca 0.33 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 0.10 -0.92 1.61 3.64 -1.81 -2.91 116.57 116.28 2ctm h LYS 37 Ca -0.20 -0.18 0.22 0.00 -1.27 0.00 0.00 60.65 59.22 2ctm h LYS 37 Cb 0.79 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.55 2ctm h LYS 37 CO 0.27 1.09 0.46 0.00 -2.27 0.00 0.00 179.45 178.99 2ctm h ALA 38 N -0.00 1.52 0.00 5.00 0.00 -1.79 0.75 119.26 124.74 2ctm h ALA 38 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ctm h ALA 38 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ctm h ALA 38 CO 0.04 -0.29 -0.05 0.97 0.00 0.00 0.00 179.25 179.92 2ctm h ILE 39 N 0.48 0.00 -0.07 0.00 6.09 -1.43 -3.27 117.51 119.30 2ctm h ILE 39 Ca 0.57 -0.65 -0.16 0.00 -1.37 0.00 0.00 64.86 63.25 2ctm h ILE 39 Cb 1.06 1.62 0.01 0.00 0.47 0.00 0.00 36.82 39.99 2ctm h ILE 39 CO -0.50 0.00 -0.57 -0.09 -3.07 0.00 0.00 178.15 173.92 2ctm h ARG 40 N 0.00 0.52 -0.25 2.19 9.65 0.68 -2.55 114.38 124.62 2ctm h ARG 40 Ca 0.00 -0.46 -0.05 0.00 -1.10 0.00 0.00 59.98 58.37 2ctm h ARG 40 Cb 0.83 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2ctm h ARG 40 CO 0.00 1.09 -0.09 1.57 2.80 0.00 0.00 179.97 185.34 2ctm h LYS 41 N 0.10 0.39 0.16 0.20 2.10 -1.33 -2.35 116.57 115.84 2ctm h LYS 41 Ca -0.05 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 2ctm h LYS 41 Cb 1.23 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2ctm h LYS 41 CO 0.12 0.49 -0.08 0.82 -2.00 0.00 0.00 179.45 178.80 2ctm h ILE 42 N 0.37 0.95 -0.68 0.07 2.04 -1.60 -1.33 117.51 117.33 2ctm h ILE 42 Ca 0.08 -0.94 0.11 0.00 1.00 0.00 0.00 64.86 65.11 2ctm h ILE 42 Cb 0.39 1.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 2ctm h ILE 42 CO 0.02 0.20 0.26 0.24 0.00 0.00 0.00 178.15 178.88 2ctm h MET 43 N -0.71 0.42 -0.55 2.37 2.86 -1.38 -0.96 114.93 116.98 2ctm h MET 43 Ca -0.02 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2ctm h MET 43 Cb 0.50 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2ctm h MET 43 CO 0.04 0.28 -0.07 -0.44 1.06 0.00 0.00 176.91 177.78 2ctm h ASP 44 N 0.43 0.98 -0.03 1.22 5.19 -1.46 1.13 116.42 123.88 2ctm h ASP 44 Ca 0.36 -0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2ctm h ASP 44 Cb 0.49 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 2ctm h ASP 44 CO -0.35 1.07 -0.50 -0.08 -3.12 0.00 0.00 179.24 176.26 2ctm h GLU 45 N 0.89 -0.58 -0.26 3.56 4.81 0.03 -2.09 114.58 120.94 2ctm h GLU 45 Ca 0.15 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2ctm h GLU 45 Cb 0.61 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2ctm h GLU 45 CO 0.04 -0.39 0.00 1.19 -0.73 0.00 0.00 179.01 179.12 2ctm n PHE 46 N -5.23 0.33 -3.68 0.92 3.01 -1.03 -4.95 117.46 106.82 2ctm n PHE 46 Ca -0.07 -0.16 -0.22 0.00 1.01 0.00 0.00 57.45 58.01 2ctm n PHE 46 Cb 0.36 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.96 -5.32 -4.47 -1.08 4.76 0.34 -4.87 118.16 108.47 2ctm n LYS 47 Ca 0.18 0.66 -0.28 0.00 -2.87 0.00 0.00 58.31 56.00 2ctm n LYS 47 Cb 0.48 -5.33 -0.09 0.00 -1.84 0.00 0.00 35.03 28.25 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 -3.58 1.98 -0.29 -0.18 -7.23 0.17 -4.93 120.40 106.34 2ctm s VAL 48 Ca 0.09 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 2ctm s VAL 48 Cb -0.04 -2.87 0.08 0.00 0.56 0.00 0.00 36.38 34.11 2ctm s VAL 48 CO 0.80 0.00 0.00 -1.81 -0.31 0.00 0.00 175.10 173.78 2ctm s ASP 49 N -3.80 4.32 0.22 4.85 1.11 -1.14 -4.56 116.67 117.67 2ctm s ASP 49 Ca 0.33 -1.66 -0.20 0.00 0.18 0.00 0.00 52.55 51.21 2ctm s ASP 49 Cb 0.07 -1.36 -0.08 0.00 1.07 0.00 0.00 42.92 42.62 2ctm s ASP 49 CO 0.18 -0.31 0.72 -0.63 1.18 0.00 0.00 175.17 176.31 2ctm s ILE 50 N 1.20 4.56 -0.13 0.77 1.01 -1.26 -1.26 121.20 126.08 2ctm s ILE 50 Ca 0.02 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 61.97 2ctm s ILE 50 Cb -0.19 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.45 2ctm s ILE 50 CO -0.10 0.23 -0.02 -0.60 0.00 0.00 0.00 174.94 174.45 2ctm s ARG 51 N -1.92 1.02 0.29 2.79 3.00 -0.24 -4.98 118.95 118.90 2ctm s ARG 51 Ca 0.42 -0.23 -0.11 0.00 -1.00 0.00 0.00 55.73 54.81 2ctm s ARG 51 Cb -0.17 -1.59 -0.07 0.00 0.00 0.00 0.00 34.95 33.11 2ctm s ARG 51 CO 0.21 -0.40 0.63 -0.06 0.00 0.00 0.00 175.30 175.69 2ctm s PHE 52 N 1.81 3.42 -0.02 5.12 0.40 -1.26 -0.85 117.98 126.59 2ctm s PHE 52 Ca 0.03 0.97 -0.30 0.00 -0.60 0.00 0.00 56.93 57.03 2ctm s PHE 52 Cb -0.14 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 40.99 2ctm s PHE 52 CO -0.07 0.16 1.46 -1.25 0.70 0.00 0.00 175.22 176.22 2ctm s PRO 53 N -3.08 4.25 1.15 0.24 0.04 -1.25 -4.97 135.00 131.38 2ctm s PRO 53 Ca 0.50 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.36 2ctm s PRO 53 Cb -0.11 -3.68 0.27 0.00 0.04 0.00 0.00 34.50 31.03 2ctm s PRO 53 CO 0.22 -0.66 1.18 -0.65 0.04 0.00 0.00 177.00 177.13 2ctm s GLN 54 N 2.86 -0.81 0.41 4.56 -0.21 -1.26 -4.82 119.66 120.38 2ctm s GLN 54 Ca 0.66 -0.22 0.28 0.00 0.02 0.00 0.00 55.36 56.11 2ctm s GLN 54 Cb -0.32 -1.66 1.40 0.00 1.00 0.00 0.00 33.01 33.44 2ctm s GLN 54 CO 0.26 -3.41 1.86 0.77 -2.12 0.00 0.00 175.29 172.65 2ctm h SER 55 N -2.36 0.00 -0.31 5.90 0.02 -2.02 -1.25 113.55 113.53 2ctm h SER 55 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2ctm h SER 55 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2ctm h SER 55 CO 0.33 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 2ctm n GLY 56 N -0.72 2.18 3.80 -3.77 0.00 -1.26 -5.01 105.19 100.40 2ctm n GLY 56 Ca -0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.00 3.03 0.15 4.61 0.00 -0.47 -4.98 121.76 123.09 2ctm s ALA 57 Ca 0.23 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2ctm s ALA 57 Cb 0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2ctm s ALA 57 CO 0.17 -0.11 1.49 -1.00 0.00 0.00 0.00 175.76 176.31 2ctm h PRO 58 N 2.17 0.90 -3.57 0.00 0.13 -1.95 -3.38 132.00 126.30 2ctm h PRO 58 Ca -0.49 -0.48 -0.71 0.00 -0.87 0.00 0.00 66.00 63.46 2ctm h PRO 58 Cb 1.21 0.02 -0.34 0.00 0.13 0.00 0.00 31.00 32.01 2ctm h PRO 58 CO 0.61 1.13 -0.31 -0.51 -0.23 0.00 0.00 178.00 178.69 2ctm s ASP 59 N -6.85 5.40 0.00 1.44 1.11 -1.26 -4.91 116.67 111.60 2ctm s ASP 59 Ca -0.11 -2.89 0.15 0.00 0.18 0.00 0.00 52.55 49.89 2ctm s ASP 59 Cb 0.11 -1.89 0.83 0.00 1.07 0.00 0.00 42.92 43.05 2ctm s ASP 59 CO 0.88 -0.38 1.38 -0.81 1.18 0.00 0.00 175.17 177.42 2ctm n PRO 60 N 3.47 0.34 -0.03 8.23 -0.04 -1.26 -1.94 135.00 143.77 2ctm n PRO 60 Ca 0.09 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.65 2ctm n PRO 60 Cb 0.39 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.15 1.91 -4.22 3.54 0.23 -1.26 -4.39 115.26 109.91 2ctm n ASN 61 Ca 0.09 -2.20 -0.28 0.00 -0.53 0.00 0.00 54.58 51.67 2ctm n ASN 61 Cb 0.09 -0.11 -0.16 0.00 -2.08 0.00 0.00 39.78 37.52 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 -0.41 2.26 -0.35 0.00 -7.23 -0.13 -3.83 120.40 110.71 2ctm s VAL 63 Ca 0.06 -1.78 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2ctm s VAL 63 Cb -0.09 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.88 2ctm s VAL 63 CO -0.00 0.07 0.14 -0.89 -0.31 0.00 0.00 175.10 174.11 2ctm s THR 64 N -1.12 4.11 -0.26 5.32 2.01 -0.03 -0.34 115.64 125.32 2ctm s THR 64 Ca 0.14 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 2ctm s THR 64 Cb -0.10 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2ctm s THR 64 CO 0.06 -0.18 0.20 -0.69 -0.69 0.00 0.00 174.62 173.33 2ctm s VAL 65 N 1.47 5.31 0.27 3.82 1.01 -0.18 -1.08 120.40 131.02 2ctm s VAL 65 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2ctm s VAL 65 Cb -0.19 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2ctm s VAL 65 CO 0.04 0.28 0.41 -0.89 0.00 0.00 0.00 175.10 174.94 2ctm s THR 66 N 1.48 5.05 0.00 3.92 2.01 -0.39 -1.12 115.64 126.58 2ctm s THR 66 Ca 0.08 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2ctm s THR 66 Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2ctm s THR 66 CO 0.08 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 2ctm n GLY 67 N -1.51 2.98 3.33 4.40 0.00 -0.94 -2.86 105.19 110.59 2ctm n GLY 67 Ca -0.07 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.74 0.26 0.99 7.99 -1.26 -0.72 117.00 122.52 2ctm n LEU 68 Ca 0.00 0.63 0.15 0.00 -0.01 0.00 0.00 56.01 56.78 2ctm n LEU 68 Cb 0.00 -1.00 0.65 0.00 -0.11 0.00 0.00 43.42 42.95 2ctm n LEU 68 CO 0.00 -4.08 0.95 1.55 -1.51 0.00 0.00 177.39 174.29 2ctm h PRO 69 N -0.09 0.00 0.01 3.23 0.13 -1.87 -0.28 132.00 133.13 2ctm h PRO 69 Ca -0.43 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.43 2ctm h PRO 69 Cb 1.40 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 2ctm h PRO 69 CO 0.42 0.07 -1.42 1.05 -0.23 0.00 0.00 178.00 177.89 2ctm h GLU 70 N 0.00 0.02 0.18 0.86 4.11 -2.00 -3.21 114.58 114.54 2ctm h GLU 70 Ca -0.00 -0.04 -0.34 0.00 0.07 0.00 0.00 59.36 59.05 2ctm h GLU 70 Cb 0.54 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.82 2ctm h GLU 70 CO 0.01 0.75 -1.66 -0.91 0.07 0.00 0.00 179.01 177.27 2ctm h ASN 71 N 0.01 0.58 0.45 3.06 2.35 -1.85 -3.35 115.58 116.83 2ctm h ASN 71 Ca -0.18 -0.82 -0.02 0.00 -0.55 0.00 0.00 56.30 54.73 2ctm h ASN 71 Cb 1.92 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 40.10 2ctm h ASN 71 CO 0.11 1.68 -0.22 0.58 -1.65 0.00 0.00 177.43 177.93 2ctm h VAL 72 N 0.10 0.56 -0.97 2.81 2.07 -1.20 -2.40 116.25 117.22 2ctm h VAL 72 Ca -0.31 -0.02 0.32 0.00 0.82 0.00 0.00 66.70 67.51 2ctm h VAL 72 Cb 2.09 0.57 -0.16 0.00 -1.52 0.00 0.00 31.29 32.26 2ctm h VAL 72 CO 0.19 0.00 0.37 1.05 0.02 0.00 0.00 177.57 179.20 2ctm h GLU 73 N -0.62 0.15 0.02 1.57 4.11 -1.72 0.24 114.58 118.33 2ctm h GLU 73 Ca -0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2ctm h GLU 73 Cb 0.47 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ctm h GLU 73 CO 0.10 0.10 -0.01 0.93 0.07 0.00 0.00 179.01 180.20 2ctm h GLU 74 N 0.15 -0.03 0.02 1.06 5.08 -1.62 -3.13 114.58 116.11 2ctm h GLU 74 Ca 0.69 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 59.08 2ctm h GLU 74 Cb 1.59 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 2ctm h GLU 74 CO -0.72 0.28 -0.45 0.00 -1.00 0.00 0.00 179.01 177.11 2ctm h ALA 75 N 0.64 -0.76 -0.93 3.43 0.00 -0.08 -2.24 119.26 119.33 2ctm h ALA 75 Ca -0.00 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.01 2ctm h ALA 75 Cb 0.31 0.80 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 2ctm h ALA 75 CO 0.00 -1.01 -0.32 0.82 0.00 0.00 0.00 179.25 178.75 2ctm h ILE 76 N -0.62 0.04 -0.93 0.00 2.04 -1.27 0.80 117.51 117.57 2ctm h ILE 76 Ca 0.03 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.10 2ctm h ILE 76 Cb 0.68 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.69 2ctm h ILE 76 CO -0.32 0.00 0.49 -0.78 0.00 0.00 0.00 178.15 177.55 2ctm h ASP 77 N -0.02 0.55 0.01 1.72 3.58 -1.35 0.19 116.42 121.10 2ctm h ASP 77 Ca 0.38 0.12 -0.17 0.00 0.42 0.00 0.00 57.03 57.79 2ctm h ASP 77 Cb 0.63 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2ctm h ASP 77 CO -0.95 0.13 -0.56 -0.74 -2.88 0.00 0.00 179.24 174.23 2ctm h HIS 78 N 0.56 0.73 0.47 0.28 2.76 0.73 -2.45 115.15 118.23 2ctm h HIS 78 Ca 0.56 -0.26 -0.02 0.00 -2.20 0.00 0.00 60.37 58.45 2ctm h HIS 78 Cb 0.98 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.81 2ctm h HIS 78 CO -0.07 1.00 -0.23 0.82 -1.30 0.00 0.00 177.93 178.16 2ctm h ILE 79 N 0.44 0.00 -0.94 6.26 2.04 0.12 -3.04 117.51 122.38 2ctm h ILE 79 Ca 0.01 -0.15 0.20 0.00 1.00 0.00 0.00 64.86 65.91 2ctm h ILE 79 Cb 1.12 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 2ctm h ILE 79 CO 0.11 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.79 2ctm h LEU 80 N -0.78 0.55 -0.63 1.44 3.38 -1.10 -0.45 115.31 117.72 2ctm h LEU 80 Ca -0.07 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2ctm h LEU 80 Cb 0.49 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 2ctm h LEU 80 CO 0.11 0.21 0.17 -1.13 0.09 0.00 0.00 178.44 177.89 2ctm h ASN 81 N 0.54 0.08 -0.21 -0.43 -1.24 -1.39 -1.29 115.58 111.64 2ctm h ASN 81 Ca 0.51 0.11 -0.17 0.00 0.71 0.00 0.00 56.30 57.45 2ctm h ASN 81 Cb 1.07 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.24 2ctm h ASN 81 CO -0.24 0.04 -0.52 -0.07 -1.29 0.00 0.00 177.43 175.35 2ctm h LEU 82 N 0.31 0.87 -0.68 0.34 3.38 -0.98 -3.22 115.31 115.32 2ctm h LEU 82 Ca 0.33 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2ctm h LEU 82 Cb 0.49 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2ctm h LEU 82 CO -0.39 1.23 -0.56 -0.08 0.09 0.00 0.00 178.44 178.73 2ctm h GLU 83 N 0.62 -0.19 -0.30 1.13 4.81 -0.68 0.33 114.58 120.29 2ctm h GLU 83 Ca 0.02 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2ctm h GLU 83 Cb 1.10 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2ctm h GLU 83 CO 0.11 -0.13 -0.07 1.49 -0.73 0.00 0.00 179.01 179.69 2ctm h GLU 84 N -0.20 0.01 -0.32 1.92 4.81 -1.58 0.93 114.58 120.15 2ctm h GLU 84 Ca 0.11 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2ctm h GLU 84 Cb 0.49 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.79 2ctm h GLU 84 CO -0.75 0.01 -0.40 1.49 -0.73 0.00 0.00 179.01 178.63 2ctm h GLU 85 N 0.01 -0.35 -0.22 1.92 4.57 -1.09 0.83 114.58 120.26 2ctm h GLU 85 Ca 0.14 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2ctm h GLU 85 Cb 0.21 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2ctm h GLU 85 CO -0.30 -0.23 0.12 1.88 -1.18 0.00 0.00 179.01 179.31 2ctm h TYR 86 N -0.36 0.30 -0.85 0.92 0.05 -0.63 -2.36 116.97 114.04 2ctm h TYR 86 Ca 0.13 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 59.10 2ctm h TYR 86 Cb 0.58 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 38.17 2ctm h TYR 86 CO -0.56 0.26 0.57 -0.07 -1.05 0.00 0.00 178.16 177.31 2ctm h LEU 87 N 0.26 0.33 -1.89 3.88 3.38 -0.01 0.12 115.31 121.38 2ctm h LEU 87 Ca 0.08 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.27 2ctm h LEU 87 Cb 0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2ctm h LEU 87 CO -0.01 0.14 0.60 0.00 0.09 0.00 0.00 178.44 179.26 2ctm h ALA 88 N 1.62 2.46 -1.01 1.53 0.00 -0.30 -2.45 119.26 121.11 2ctm h ALA 88 Ca 0.43 -0.02 -0.78 0.00 0.00 0.00 0.00 54.91 54.54 2ctm h ALA 88 Cb 1.16 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 2ctm h ALA 88 CO -0.13 -0.93 1.69 -0.25 0.00 0.00 0.00 179.25 179.62 2ctm n ASP 89 N -3.84 7.47 -0.20 0.00 8.00 0.43 -4.42 116.55 123.99 2ctm n ASP 89 Ca 0.13 -3.40 -0.07 0.00 0.71 0.00 0.00 54.79 52.17 2ctm n ASP 89 Cb 0.84 -1.28 0.03 0.00 -0.02 0.00 0.00 41.12 40.69 2ctm n ASP 89 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ctm h SER 90 N 4.56 0.68 0.00 -2.24 0.02 -1.66 -3.48 113.55 111.42 2ctm h SER 90 Ca 0.58 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2ctm h SER 90 Cb 0.35 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2ctm h SER 90 CO 1.35 0.54 0.00 0.61 -1.14 0.00 0.00 176.83 178.19 2ctm n GLY 91 N -1.13 -1.25 0.21 -3.77 0.00 -1.26 -4.93 105.19 93.07 2ctm n GLY 91 Ca 0.03 0.45 0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 0.04 1.61 0.13 -1.98 -3.19 132.00 128.60 2ctm h PRO 92 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ctm h PRO 92 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ctm h PRO 92 CO 0.00 0.28 -0.02 0.66 -0.23 0.00 0.00 178.00 178.69 2ctm h SER 93 N 0.00 -0.04 -3.39 1.44 4.64 -1.92 -3.41 113.55 110.86 2ctm h SER 93 Ca -0.00 -0.31 -0.59 0.00 -0.47 0.00 0.00 61.79 60.42 2ctm h SER 93 Cb 0.70 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.72 2ctm h SER 93 CO 0.04 0.29 0.14 -0.44 -0.87 0.00 0.00 176.83 175.98 2ctm s SER 94 N -5.47 6.76 0.00 4.97 0.01 -1.21 -5.06 113.70 113.70 2ctm s SER 94 Ca -0.15 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2ctm s SER 94 Cb 0.03 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2ctm s SER 94 CO 0.65 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.66