#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctm n SER 2 N 0.00 0.17 -4.31 1.61 2.88 -1.26 -5.03 113.62 107.68 2ctm n SER 2 Ca 0.00 0.27 -0.35 0.00 -1.33 0.00 0.00 58.87 57.45 2ctm n SER 2 Cb 0.00 0.12 -0.06 0.00 -0.75 0.00 0.00 64.21 63.52 2ctm n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ctm n SER 3 N -3.24 -1.21 -4.21 -3.46 3.41 -1.26 -4.92 113.62 98.73 2ctm n SER 3 Ca 0.00 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.11 2ctm n SER 3 Cb 0.05 -2.11 -0.15 0.00 -0.26 0.00 0.00 64.21 61.74 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 -3.74 1.46 0.79 5.00 0.00 -1.26 -5.12 107.32 104.45 2ctm s GLY 4 Ca 0.46 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 2ctm s GLY 4 CO 0.97 0.22 1.11 -0.56 0.00 0.00 0.00 173.10 174.84 2ctm s SER 5 N 1.16 4.06 -0.26 1.64 0.01 -1.26 -5.11 113.70 113.94 2ctm s SER 5 Ca 0.01 0.05 -0.14 0.00 1.31 0.00 0.00 55.95 57.19 2ctm s SER 5 Cb -0.14 -0.39 0.08 0.00 0.21 0.00 0.00 66.02 65.78 2ctm s SER 5 CO -0.06 -2.08 0.63 -0.55 0.41 0.00 0.00 173.24 171.59 2ctm s SER 6 N -4.73 -0.89 0.00 2.44 0.15 -1.26 -5.14 113.70 104.27 2ctm s SER 6 Ca 0.67 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.74 2ctm s SER 6 Cb -0.06 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2ctm s SER 6 CO 0.47 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2ctm n GLY 7 N 4.50 1.05 3.01 9.45 0.00 -1.26 -5.18 105.19 116.76 2ctm n GLY 7 Ca -0.19 0.55 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 2ctm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctm n ARG 8 N 0.00 -0.69 -3.85 1.61 5.12 -1.26 -5.12 116.66 112.47 2ctm n ARG 8 Ca 0.00 -1.75 -0.04 0.00 -1.93 0.00 0.00 57.85 54.12 2ctm n ARG 8 Cb 0.00 -0.90 0.01 0.00 -1.16 0.00 0.00 32.46 30.41 2ctm n ARG 8 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2ctm s ILE 9 N -2.99 0.00 -0.09 0.55 -4.36 -1.26 -5.07 121.20 107.98 2ctm s ILE 9 Ca 0.56 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 60.31 2ctm s ILE 9 Cb -0.02 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.87 2ctm s ILE 9 CO 0.39 0.00 -0.05 0.52 0.24 0.00 0.00 174.94 176.04 2ctm n VAL 10 N -0.64 0.53 -1.53 8.37 0.31 -1.26 -5.02 118.33 119.10 2ctm n VAL 10 Ca -0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2ctm n VAL 10 Cb 0.60 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 2.87 -2.27 3.94 2.92 0.00 -1.26 -4.85 105.19 106.54 2ctm n GLY 11 Ca -0.15 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.59 3.45 0.11 1.61 2.02 -1.26 -5.02 118.70 119.02 2ctm s GLU 12 Ca 0.00 -0.53 -0.20 0.00 0.02 0.00 0.00 54.97 54.27 2ctm s GLU 12 Cb 0.00 -2.97 -0.08 0.00 0.10 0.00 0.00 34.13 31.19 2ctm s GLU 12 CO 0.00 0.53 1.73 -0.07 0.02 0.00 0.00 175.26 177.47 2ctm h LEU 13 N 2.35 0.24 -1.54 1.80 4.07 -1.97 -2.22 115.31 118.04 2ctm h LEU 13 Ca -0.48 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.38 2ctm h LEU 13 Cb 1.19 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 2ctm h LEU 13 CO 0.70 0.22 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.72 2ctm h GLU 14 N 0.23 0.00 0.00 1.13 4.39 -2.02 -1.69 114.58 116.62 2ctm h GLU 14 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2ctm h GLU 14 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2ctm h GLU 14 CO -0.01 0.24 0.00 1.96 -1.16 0.00 0.00 179.01 180.04 2ctm h GLN 15 N 0.00 0.00 -7.22 2.33 1.08 -1.82 -3.45 115.11 106.03 2ctm h GLN 15 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 2ctm h GLN 15 Cb 0.47 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.01 2ctm h GLN 15 CO 0.03 0.00 0.36 -1.64 -0.95 0.00 0.00 178.83 176.63 2ctm s MET 16 N -3.33 2.57 0.08 1.46 -1.94 -0.64 -4.61 119.30 112.90 2ctm s MET 16 Ca 0.05 1.38 0.04 0.00 -1.71 0.00 0.00 55.69 55.46 2ctm s MET 16 Cb 0.10 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 2ctm s MET 16 CO 0.49 -1.43 -0.11 0.14 -0.01 0.00 0.00 175.02 174.10 2ctm s VAL 17 N -2.43 0.93 -0.25 -6.03 -7.23 -0.28 -4.82 120.40 100.29 2ctm s VAL 17 Ca 0.66 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 59.36 2ctm s VAL 17 Cb -0.21 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2ctm s VAL 17 CO 0.45 -0.38 0.11 -0.94 -0.31 0.00 0.00 175.10 174.03 2ctm s SER 18 N -1.98 5.58 0.33 4.85 1.04 -1.26 -1.65 113.70 120.62 2ctm s SER 18 Ca -0.01 -0.07 0.10 0.00 0.48 0.00 0.00 55.95 56.45 2ctm s SER 18 Cb -0.07 -2.01 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 2ctm s SER 18 CO 0.01 0.01 -0.11 -1.61 0.98 0.00 0.00 173.24 172.52 2ctm s GLU 19 N 1.40 1.78 -0.16 4.02 0.41 -0.06 -4.97 118.70 121.11 2ctm s GLU 19 Ca 0.06 -1.90 -0.01 0.00 -0.41 0.00 0.00 54.97 52.71 2ctm s GLU 19 Cb -0.15 -1.67 -0.01 0.00 -1.78 0.00 0.00 34.13 30.53 2ctm s GLU 19 CO 0.05 0.16 -0.12 -0.51 -0.49 0.00 0.00 175.26 174.35 2ctm s ASP 20 N -3.58 3.92 -0.15 -0.19 1.11 -1.26 -1.32 116.67 115.20 2ctm s ASP 20 Ca 0.32 -0.40 0.01 0.00 0.18 0.00 0.00 52.55 52.66 2ctm s ASP 20 Cb 0.02 -1.62 0.01 0.00 1.07 0.00 0.00 42.92 42.39 2ctm s ASP 20 CO 0.16 0.09 -0.19 -0.69 1.18 0.00 0.00 175.17 175.72 2ctm s VAL 21 N 0.80 2.30 -0.60 -1.27 1.01 -0.77 -4.97 120.40 116.90 2ctm s VAL 21 Ca -0.04 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 2ctm s VAL 21 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2ctm s VAL 21 CO 0.01 0.53 1.86 -2.16 0.00 0.00 0.00 175.10 175.34 2ctm s PRO 22 N 0.90 2.64 -0.15 2.72 0.04 -1.26 -1.40 135.00 138.50 2ctm s PRO 22 Ca -0.04 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.65 2ctm s PRO 22 Cb -0.15 -4.38 0.01 0.00 0.04 0.00 0.00 34.50 30.02 2ctm s PRO 22 CO -0.03 -2.71 -0.20 -1.17 0.04 0.00 0.00 177.00 172.93 2ctm s LEU 23 N 9.03 2.05 0.29 -3.56 2.96 0.18 -4.91 118.68 124.71 2ctm s LEU 23 Ca 0.68 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2ctm s LEU 23 Cb -0.13 -1.40 -0.13 0.00 0.50 0.00 0.00 46.19 45.03 2ctm s LEU 23 CO 0.21 0.04 1.35 -0.67 -1.32 0.00 0.00 176.35 175.97 2ctm n ASP 24 N 4.27 2.75 0.18 3.68 2.03 -1.26 -3.81 116.55 124.39 2ctm n ASP 24 Ca -0.20 1.17 0.13 0.00 0.52 0.00 0.00 54.79 56.42 2ctm n ASP 24 Cb 0.51 -1.45 0.42 0.00 -0.72 0.00 0.00 41.12 39.87 2ctm n ASP 24 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 2ctm h HIS 25 N 3.45 0.00 0.00 -0.67 2.07 -1.85 -2.94 115.15 115.21 2ctm h HIS 25 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2ctm h HIS 25 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2ctm h HIS 25 CO 0.54 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.40 2ctm h ARG 26 N 0.00 0.00 -0.02 5.12 3.08 -1.91 -2.89 114.38 117.76 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 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 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 -2.88 1.21 0.30 2.04 0.24 -1.12 -4.73 118.33 113.40 2ctm n VAL 27 Ca 0.01 -1.29 -0.12 0.00 -2.04 0.00 0.00 64.34 60.90 2ctm n VAL 27 Cb 0.32 0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.10 -0.75 0.00 6.34 3.86 -1.36 -1.47 115.15 121.86 2ctm h HIS 28 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2ctm h HIS 28 Cb 0.63 0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 2ctm h HIS 28 CO 0.01 -0.47 -0.06 0.00 0.86 0.00 0.00 177.93 178.28 2ctm h ALA 29 N -1.32 1.68 -0.17 2.45 0.00 -1.86 0.16 119.26 120.20 2ctm h ALA 29 Ca -0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2ctm h ALA 29 Cb 0.62 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ctm h ALA 29 CO 0.14 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.33 2ctm h ARG 30 N 0.00 0.38 0.00 0.00 2.47 -1.83 -3.01 114.38 112.39 2ctm h ARG 30 Ca -0.00 -0.19 -0.25 0.00 -1.26 0.00 0.00 59.98 58.29 2ctm h ARG 30 Cb 0.12 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2ctm h ARG 30 CO 0.01 0.73 -1.00 0.82 0.56 0.00 0.00 179.97 181.08 2ctm h ILE 31 N 0.04 1.34 -0.35 2.04 2.04 -0.80 -3.31 117.51 118.51 2ctm h ILE 31 Ca 0.03 -2.34 0.08 0.00 1.00 0.00 0.00 64.86 63.62 2ctm h ILE 31 Cb 0.64 2.40 -0.08 0.00 -0.74 0.00 0.00 36.82 39.03 2ctm h ILE 31 CO 0.03 0.71 -0.26 0.40 0.00 0.00 0.00 178.15 179.04 2ctm h ILE 32 N 0.32 0.34 0.00 -0.67 2.04 -0.74 -3.08 117.51 115.72 2ctm h ILE 32 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ctm h ILE 32 Cb 1.64 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2ctm h ILE 32 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.95 2ctm n GLY 33 N -1.39 2.38 0.16 5.37 0.00 -1.14 -2.30 105.19 108.27 2ctm n GLY 33 Ca 0.01 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.36 -0.66 4.61 0.00 -1.91 -1.89 119.26 119.05 2ctm h ALA 34 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2ctm h ALA 34 Cb 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 2ctm h ALA 34 CO 0.00 -0.48 0.23 0.54 0.00 0.00 0.00 179.25 179.55 2ctm n ARG 35 N -3.72 3.29 -2.85 0.00 3.00 -1.26 -4.90 116.66 110.21 2ctm n ARG 35 Ca -0.00 -3.07 -0.10 0.00 -0.01 0.00 0.00 57.85 54.67 2ctm n ARG 35 Cb 0.11 -2.12 0.03 0.00 0.00 0.00 0.00 32.46 30.47 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 -0.40 0.29 0.09 -0.13 0.00 -0.71 -4.98 105.19 99.34 2ctm n GLY 36 Ca 0.39 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2ctm n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctm n LYS 37 N -2.32 0.51 -0.42 1.61 4.76 -1.19 -3.03 118.16 118.08 2ctm n LYS 37 Ca -0.01 0.53 0.36 0.00 -2.87 0.00 0.00 58.31 56.32 2ctm n LYS 37 Cb 0.53 -1.70 0.69 0.00 -1.84 0.00 0.00 35.03 32.72 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ctm h ALA 38 N -0.78 2.99 0.00 7.82 0.00 -1.76 1.35 119.26 128.89 2ctm h ALA 38 Ca -0.19 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2ctm h ALA 38 Cb 0.92 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2ctm h ALA 38 CO -0.11 -1.45 -1.02 0.97 0.00 0.00 0.00 179.25 177.64 2ctm h ILE 39 N 0.10 0.16 -0.26 0.00 6.09 -1.36 -3.35 117.51 118.88 2ctm h ILE 39 Ca 0.69 -1.30 -0.04 0.00 -1.37 0.00 0.00 64.86 62.85 2ctm h ILE 39 Cb 2.45 1.70 -0.01 0.00 0.47 0.00 0.00 36.82 41.43 2ctm h ILE 39 CO -0.16 0.09 0.01 -0.09 -3.07 0.00 0.00 178.15 174.93 2ctm h ARG 40 N 0.00 0.45 -0.82 2.19 9.65 0.19 -2.60 114.38 123.44 2ctm h ARG 40 Ca -0.04 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.71 2ctm h ARG 40 Cb 1.16 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.66 2ctm h ARG 40 CO 0.01 0.61 0.55 1.57 2.80 0.00 0.00 179.97 185.51 2ctm h LYS 41 N 0.24 1.07 -0.57 0.20 2.10 -1.55 -1.62 116.57 116.44 2ctm h LYS 41 Ca 0.07 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 2ctm h LYS 41 Cb 0.40 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 2ctm h LYS 41 CO 0.01 0.71 0.25 0.82 -2.00 0.00 0.00 179.45 179.23 2ctm h ILE 42 N 1.10 1.22 0.33 0.07 2.04 -1.66 0.28 117.51 120.89 2ctm h ILE 42 Ca 0.31 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2ctm h ILE 42 Cb -0.10 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2ctm h ILE 42 CO -0.07 0.26 -0.16 0.24 0.00 0.00 0.00 178.15 178.42 2ctm h MET 43 N 0.78 -0.43 0.00 2.37 2.86 -1.03 -2.90 114.93 116.58 2ctm h MET 43 Ca 0.19 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2ctm h MET 43 Cb 0.17 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2ctm h MET 43 CO -0.02 -0.16 -0.16 -0.44 1.06 0.00 0.00 176.91 177.18 2ctm h ASP 44 N -0.66 0.00 0.03 1.22 3.32 -1.27 1.26 116.42 120.32 2ctm h ASP 44 Ca -0.05 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2ctm h ASP 44 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2ctm h ASP 44 CO 0.08 0.16 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.50 2ctm h GLU 45 N 0.00 -0.30 -0.22 3.56 4.81 -0.24 -2.96 114.58 119.23 2ctm h GLU 45 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2ctm h GLU 45 Cb 0.32 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2ctm h GLU 45 CO 0.02 -0.20 0.00 1.19 -0.73 0.00 0.00 179.01 179.29 2ctm n PHE 46 N -5.31 0.28 -3.29 0.92 3.72 -1.11 -4.99 117.46 107.68 2ctm n PHE 46 Ca -0.06 -0.20 -0.15 0.00 -0.05 0.00 0.00 57.45 56.99 2ctm n PHE 46 Cb 0.22 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.84 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2ctm n LYS 47 N 1.00 -4.99 -4.35 -1.08 4.76 0.40 -4.90 118.16 108.99 2ctm n LYS 47 Ca 0.13 0.81 -0.18 0.00 -2.87 0.00 0.00 58.31 56.20 2ctm n LYS 47 Cb 0.46 -5.65 -0.10 0.00 -1.84 0.00 0.00 35.03 27.90 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 -3.35 1.43 -0.38 -0.18 -7.23 0.89 -4.89 120.40 106.70 2ctm s VAL 48 Ca 0.13 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2ctm s VAL 48 Cb -0.02 -2.20 0.10 0.00 0.56 0.00 0.00 36.38 34.83 2ctm s VAL 48 CO 0.69 -0.47 0.15 -1.81 -0.31 0.00 0.00 175.10 173.34 2ctm s ASP 49 N -3.32 5.11 0.27 4.85 1.01 -0.90 -4.47 116.67 119.21 2ctm s ASP 49 Ca 0.25 -1.97 -0.22 0.00 0.71 0.00 0.00 52.55 51.32 2ctm s ASP 49 Cb 0.03 -1.77 -0.09 0.00 1.01 0.00 0.00 42.92 42.10 2ctm s ASP 49 CO 0.08 -0.48 0.82 -0.63 0.21 0.00 0.00 175.17 175.17 2ctm s ILE 50 N 1.10 4.42 -0.10 0.77 1.01 -1.26 -0.51 121.20 126.63 2ctm s ILE 50 Ca 0.07 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 2ctm s ILE 50 Cb -0.22 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.37 2ctm s ILE 50 CO -0.05 0.17 -0.05 -0.60 0.00 0.00 0.00 174.94 174.41 2ctm s ARG 51 N -2.04 1.25 0.42 2.79 6.06 0.78 -4.96 118.95 123.25 2ctm s ARG 51 Ca 0.46 -0.15 -0.05 0.00 -2.50 0.00 0.00 55.73 53.49 2ctm s ARG 51 Cb -0.17 -1.39 -0.04 0.00 0.06 0.00 0.00 34.95 33.41 2ctm s ARG 51 CO 0.22 -0.26 0.71 -0.06 -2.50 0.00 0.00 175.30 173.41 2ctm s PHE 52 N 1.72 3.52 -0.17 5.12 0.40 -1.26 0.16 117.98 127.48 2ctm s PHE 52 Ca 0.04 0.76 -0.29 0.00 -0.60 0.00 0.00 56.93 56.84 2ctm s PHE 52 Cb -0.13 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 2ctm s PHE 52 CO -0.07 -0.11 1.57 -1.25 0.70 0.00 0.00 175.22 176.06 2ctm s PRO 53 N -4.31 3.97 0.86 0.24 0.04 -1.25 -4.90 135.00 129.66 2ctm s PRO 53 Ca 0.46 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 2ctm s PRO 53 Cb -0.10 -3.98 0.11 0.00 0.04 0.00 0.00 34.50 30.56 2ctm s PRO 53 CO 0.38 -1.08 1.09 -0.65 0.04 0.00 0.00 177.00 176.79 2ctm s GLN 54 N 4.32 1.56 0.16 4.56 -1.52 -1.26 -4.82 119.66 122.66 2ctm s GLN 54 Ca 0.69 0.82 -0.26 0.00 -1.95 0.00 0.00 55.36 54.67 2ctm s GLN 54 Cb -0.27 -1.84 -0.01 0.00 -0.22 0.00 0.00 33.01 30.67 2ctm s GLN 54 CO 0.27 -2.03 1.39 0.45 -0.25 0.00 0.00 175.29 175.11 2ctm n SER 55 N -3.74 -0.89 -1.88 5.90 2.88 -1.26 0.66 113.62 115.28 2ctm n SER 55 Ca 0.07 1.60 -0.11 0.00 -1.33 0.00 0.00 58.87 59.10 2ctm n SER 55 Cb 0.55 -0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 63.72 2ctm n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctm n GLY 56 N -1.26 3.25 3.89 0.46 0.00 -1.26 -4.90 105.19 105.38 2ctm n GLY 56 Ca 0.03 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.31 3.89 0.08 4.61 0.00 0.21 -5.02 121.76 125.22 2ctm s ALA 57 Ca 0.36 -0.64 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 2ctm s ALA 57 Cb 0.21 -2.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 2ctm s ALA 57 CO -0.03 0.68 1.40 -1.00 0.00 0.00 0.00 175.76 176.80 2ctm h PRO 58 N 4.09 0.60 -3.59 0.00 0.13 -1.90 -3.39 132.00 127.94 2ctm h PRO 58 Ca -0.50 -0.32 -0.67 0.00 -0.87 0.00 0.00 66.00 63.64 2ctm h PRO 58 Cb 1.20 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.96 2ctm h PRO 58 CO 0.66 0.91 -0.48 -0.51 -0.23 0.00 0.00 178.00 178.35 2ctm s ASP 59 N -6.42 4.87 0.00 1.44 1.01 -1.26 -4.92 116.67 111.39 2ctm s ASP 59 Ca -0.13 -2.86 0.15 0.00 0.71 0.00 0.00 52.55 50.42 2ctm s ASP 59 Cb 0.08 -1.76 0.84 0.00 1.01 0.00 0.00 42.92 43.09 2ctm s ASP 59 CO 0.81 -0.32 1.37 -0.81 0.21 0.00 0.00 175.17 176.43 2ctm n PRO 60 N 3.41 0.36 -0.15 8.23 -0.04 -1.26 -1.91 135.00 143.63 2ctm n PRO 60 Ca 0.06 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2ctm n PRO 60 Cb 0.36 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.13 2.71 -4.17 3.54 0.23 -1.26 -4.20 115.26 110.97 2ctm n ASN 61 Ca 0.09 -2.45 -0.25 0.00 -0.53 0.00 0.00 54.58 51.45 2ctm n ASN 61 Cb 0.08 -0.27 -0.15 0.00 -2.08 0.00 0.00 39.78 37.36 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 -0.42 2.02 -0.53 0.00 -7.23 -0.49 -3.76 120.40 110.00 2ctm s VAL 63 Ca 0.07 -0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 59.02 2ctm s VAL 63 Cb -0.07 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.13 2ctm s VAL 63 CO -0.01 0.54 0.99 -0.89 -0.31 0.00 0.00 175.10 175.43 2ctm s THR 64 N 0.73 4.34 -0.10 5.32 2.01 0.12 -1.85 115.64 126.21 2ctm s THR 64 Ca -0.09 0.55 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 2ctm s THR 64 Cb -0.16 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 2ctm s THR 64 CO 0.00 -1.07 0.30 -0.69 -0.69 0.00 0.00 174.62 172.47 2ctm s VAL 65 N 4.09 5.26 0.16 3.82 1.01 -0.44 -0.16 120.40 134.15 2ctm s VAL 65 Ca 0.35 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.98 2ctm s VAL 65 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2ctm s VAL 65 CO 0.23 0.49 -0.01 -0.89 0.00 0.00 0.00 175.10 174.92 2ctm s THR 66 N -0.30 3.71 0.00 3.92 2.01 0.33 -0.88 115.64 124.44 2ctm s THR 66 Ca 0.19 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.82 2ctm s THR 66 Cb -0.14 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2ctm s THR 66 CO 0.07 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2ctm n GLY 67 N 0.02 3.14 3.35 4.40 0.00 -0.66 -2.11 105.19 113.33 2ctm n GLY 67 Ca -0.10 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.54 0.28 0.99 7.99 -1.26 -1.12 117.00 122.34 2ctm n LEU 68 Ca 0.00 0.66 0.17 0.00 -0.01 0.00 0.00 56.01 56.83 2ctm n LEU 68 Cb 0.00 -1.01 0.70 0.00 -0.11 0.00 0.00 43.42 43.00 2ctm n LEU 68 CO 0.00 -3.98 1.00 1.55 -1.51 0.00 0.00 177.39 174.45 2ctm h PRO 69 N 0.01 0.00 0.00 3.23 0.13 -1.89 -0.39 132.00 133.09 2ctm h PRO 69 Ca -0.43 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 2ctm h PRO 69 Cb 1.41 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.51 2ctm h PRO 69 CO 0.43 0.01 -1.21 1.05 -0.23 0.00 0.00 178.00 178.05 2ctm h GLU 70 N 0.00 0.00 0.05 0.86 4.11 -1.99 -3.31 114.58 114.30 2ctm h GLU 70 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 2ctm h GLU 70 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2ctm h GLU 70 CO 0.00 0.53 -1.27 -0.91 0.07 0.00 0.00 179.01 177.43 2ctm h ASN 71 N 0.00 0.17 -0.46 3.06 2.35 -1.84 -3.36 115.58 115.50 2ctm h ASN 71 Ca -0.13 -0.72 0.09 0.00 -0.55 0.00 0.00 56.30 54.98 2ctm h ASN 71 Cb 1.69 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.90 2ctm h ASN 71 CO 0.08 1.53 -0.33 0.58 -1.65 0.00 0.00 177.43 177.64 2ctm h VAL 72 N -0.65 0.21 -0.77 2.81 2.07 -1.25 -0.23 116.25 118.45 2ctm h VAL 72 Ca -0.31 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.39 2ctm h VAL 72 Cb 1.51 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 31.36 2ctm h VAL 72 CO -0.07 0.00 0.02 1.05 0.02 0.00 0.00 177.57 178.60 2ctm h GLU 73 N -0.22 0.11 -0.77 1.57 4.11 -1.75 0.27 114.58 117.89 2ctm h GLU 73 Ca 0.19 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.62 2ctm h GLU 73 Cb 0.54 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2ctm h GLU 73 CO -0.58 0.07 0.51 0.93 0.07 0.00 0.00 179.01 180.01 2ctm h GLU 74 N 0.11 1.02 -0.04 1.06 4.39 -1.22 -2.82 114.58 117.09 2ctm h GLU 74 Ca 0.43 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 2ctm h GLU 74 Cb 0.76 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2ctm h GLU 74 CO -0.67 0.68 0.02 0.00 -1.16 0.00 0.00 179.01 177.88 2ctm h ALA 75 N 1.28 0.05 -0.41 3.43 0.00 0.29 -3.11 119.26 120.79 2ctm h ALA 75 Ca 0.28 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2ctm h ALA 75 Cb -0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 2ctm h ALA 75 CO -0.06 -0.39 -0.43 0.82 0.00 0.00 0.00 179.25 179.19 2ctm h ILE 76 N -0.05 0.11 -1.11 0.00 2.04 -0.77 0.26 117.51 118.00 2ctm h ILE 76 Ca 0.01 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.19 2ctm h ILE 76 Cb 0.11 0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.19 2ctm h ILE 76 CO -0.00 0.00 0.71 -0.78 0.00 0.00 0.00 178.15 178.08 2ctm h ASP 77 N -0.33 0.40 0.50 1.72 3.58 -1.46 0.81 116.42 121.63 2ctm h ASP 77 Ca 0.14 0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 2ctm h ASP 77 Cb 0.58 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2ctm h ASP 77 CO -0.58 0.00 -0.75 -0.74 -2.88 0.00 0.00 179.24 174.30 2ctm h HIS 78 N 0.31 0.28 0.49 0.28 2.76 -0.50 -2.54 115.15 116.23 2ctm h HIS 78 Ca 0.66 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.68 2ctm h HIS 78 Cb 1.79 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.72 2ctm h HIS 78 CO -0.00 0.87 -0.23 0.82 -1.30 0.00 0.00 177.93 178.09 2ctm h ILE 79 N 0.13 0.05 -0.34 6.26 2.04 0.21 -3.07 117.51 122.79 2ctm h ILE 79 Ca -0.03 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.40 2ctm h ILE 79 Cb 1.32 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2ctm h ILE 79 CO 0.11 0.01 0.25 -0.07 0.00 0.00 0.00 178.15 178.45 2ctm h LEU 80 N -1.16 0.00 0.21 1.44 3.38 -1.21 -2.08 115.31 115.89 2ctm h LEU 80 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2ctm h LEU 80 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ctm h LEU 80 CO 0.11 0.00 -0.13 -1.13 0.09 0.00 0.00 178.44 177.37 2ctm h ASN 81 N 0.00 -0.34 -0.16 -0.43 -1.24 -1.45 -3.02 115.58 108.93 2ctm h ASN 81 Ca 0.16 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2ctm h ASN 81 Cb 0.65 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 2ctm h ASN 81 CO -0.00 -0.22 0.09 -0.07 -1.29 0.00 0.00 177.43 175.94 2ctm h LEU 82 N -0.34 0.21 -0.75 0.34 3.38 -1.29 -3.01 115.31 113.85 2ctm h LEU 82 Ca -0.02 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 57.99 2ctm h LEU 82 Cb 0.29 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 2ctm h LEU 82 CO 0.01 0.25 -0.25 1.21 0.09 0.00 0.00 178.44 179.75 2ctm n GLU 83 N -4.91 -0.13 -0.16 1.13 0.00 -0.97 0.16 120.64 115.77 2ctm n GLU 83 Ca -0.04 1.16 -0.09 0.00 0.00 0.00 0.00 57.16 58.19 2ctm n GLU 83 Cb 0.08 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 29.79 2ctm n GLU 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2ctm h GLU 84 N 0.00 0.71 -0.69 5.31 4.81 -1.49 0.48 114.58 123.72 2ctm h GLU 84 Ca 0.31 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2ctm h GLU 84 Cb 0.49 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2ctm h GLU 84 CO -0.76 0.69 0.45 0.93 -0.73 0.00 0.00 179.01 179.60 2ctm h GLU 85 N 0.60 0.86 0.09 1.92 5.08 0.17 0.19 114.58 123.49 2ctm h GLU 85 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2ctm h GLU 85 Cb 0.28 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ctm h GLU 85 CO -0.00 0.57 -0.04 1.88 -1.00 0.00 0.00 179.01 180.41 2ctm h TYR 86 N 0.89 -0.11 -0.59 4.33 -1.99 -0.07 -3.30 116.97 116.12 2ctm h TYR 86 Ca 0.26 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.06 2ctm h TYR 86 Cb -0.03 0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.70 2ctm h TYR 86 CO -0.00 0.39 0.40 -0.07 -0.00 0.00 0.00 178.16 178.88 2ctm h LEU 87 N -0.91 0.45 -2.00 3.88 3.38 -0.79 -0.44 115.31 118.87 2ctm h LEU 87 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.11 2ctm h LEU 87 Cb 0.55 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2ctm h LEU 87 CO 0.02 0.28 0.44 0.00 0.09 0.00 0.00 178.44 179.28 2ctm h ALA 88 N 1.69 2.31 -1.05 1.53 0.00 -0.69 -2.11 119.26 120.93 2ctm h ALA 88 Ca 0.26 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.73 2ctm h ALA 88 Cb 0.38 0.04 -0.41 0.00 0.00 0.00 0.00 17.79 17.80 2ctm h ALA 88 CO -0.08 -0.70 -1.02 -3.47 0.00 0.00 0.00 179.25 173.99 2ctm n ASP 89 N -3.98 2.74 -3.92 0.00 -0.08 -0.20 -4.98 116.55 106.13 2ctm n ASP 89 Ca 0.09 -3.01 -0.29 0.00 -1.51 0.00 0.00 54.79 50.08 2ctm n ASP 89 Cb 0.65 -0.49 -0.12 0.00 2.34 0.00 0.00 41.12 43.50 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ctm s SER 90 N -3.38 4.73 0.00 1.67 0.01 -0.80 -4.84 113.70 111.09 2ctm s SER 90 Ca 0.35 -3.63 0.00 0.00 1.31 0.00 0.00 55.95 53.98 2ctm s SER 90 Cb 0.42 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 65.00 2ctm s SER 90 CO -0.04 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2ctm n GLY 91 N 2.28 -2.01 3.57 3.44 0.00 -1.26 -4.99 105.19 106.22 2ctm n GLY 91 Ca 0.16 0.59 -0.27 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.63 2.52 -0.15 1.61 0.04 -1.26 -4.86 135.00 132.27 2ctm s PRO 92 Ca 0.00 -0.69 -0.23 0.00 0.04 0.00 0.00 61.00 60.13 2ctm s PRO 92 Cb 0.00 -5.14 0.06 0.00 0.04 0.00 0.00 34.50 29.45 2ctm s PRO 92 CO 0.00 -3.67 0.58 -1.54 0.04 0.00 0.00 177.00 172.41 2ctm s SER 93 N 7.35 -0.57 -0.14 6.66 1.04 -1.26 -5.16 113.70 121.62 2ctm s SER 93 Ca 0.69 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.96 2ctm s SER 93 Cb -0.04 0.92 -0.05 0.00 0.10 0.00 0.00 66.02 66.95 2ctm s SER 93 CO 0.06 -0.34 0.18 -0.55 0.98 0.00 0.00 173.24 173.57 2ctm s SER 94 N -0.29 6.39 0.00 7.02 0.15 -1.26 -5.24 113.70 120.46 2ctm s SER 94 Ca -0.05 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2ctm s SER 94 Cb -0.03 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2ctm s SER 94 CO 0.04 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.38