#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 1.62 -0.01 1.61 0.01 -1.26 -5.14 113.70 110.53 2ctm s SER 2 Ca 0.00 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.03 2ctm s SER 2 Cb 0.00 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 2ctm s SER 2 CO 0.00 0.00 -0.12 -0.55 0.41 0.00 0.00 173.24 172.98 2ctm s SER 3 N 0.79 1.47 0.00 2.44 0.15 -1.26 -4.94 113.70 112.35 2ctm s SER 3 Ca -0.12 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2ctm s SER 3 Cb -0.15 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2ctm s SER 3 CO 0.02 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2ctm n GLY 4 N 2.88 0.57 3.67 9.45 0.00 -1.26 -5.08 105.19 115.41 2ctm n GLY 4 Ca -0.15 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.31 2ctm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctm n SER 5 N 0.00 2.09 -0.33 1.61 7.64 -1.26 -4.80 113.62 118.58 2ctm n SER 5 Ca 0.00 1.09 0.18 0.00 1.01 0.00 0.00 58.87 61.16 2ctm n SER 5 Cb 0.00 -1.15 0.36 0.00 -1.01 0.00 0.00 64.21 62.41 2ctm n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ctm h SER 6 N 6.21 -0.15 -4.00 6.43 4.64 -2.04 -3.47 113.55 121.18 2ctm h SER 6 Ca -0.47 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2ctm h SER 6 Cb 1.33 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2ctm h SER 6 CO 0.89 -0.32 -0.08 0.61 -0.87 0.00 0.00 176.83 177.07 2ctm n GLY 7 N -1.41 -3.00 3.89 -0.77 0.00 -1.26 -4.99 105.19 97.64 2ctm n GLY 7 Ca 0.26 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.92 3.58 0.23 1.61 1.81 -1.26 -5.09 118.95 114.91 2ctm s ARG 8 Ca 0.00 0.49 -0.22 0.00 -1.72 0.00 0.00 55.73 54.28 2ctm s ARG 8 Cb 0.00 -2.22 0.04 0.00 -0.45 0.00 0.00 34.95 32.32 2ctm s ARG 8 CO 0.00 -0.39 0.77 0.96 -0.68 0.00 0.00 175.30 175.97 2ctm s ILE 9 N -2.95 0.00 -0.21 1.52 -5.25 -1.26 -5.08 121.20 107.96 2ctm s ILE 9 Ca 0.51 -0.77 -0.06 0.00 -0.99 0.00 0.00 60.65 59.34 2ctm s ILE 9 Cb -0.11 -1.86 -0.11 0.00 2.95 0.00 0.00 42.46 43.34 2ctm s ILE 9 CO 0.49 0.00 -0.24 0.52 -1.79 0.00 0.00 174.94 173.92 2ctm n VAL 10 N -0.45 1.18 -0.08 8.37 0.31 -1.26 -4.89 118.33 121.51 2ctm n VAL 10 Ca -0.06 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2ctm n VAL 10 Cb 0.60 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 2.01 -2.41 3.88 2.92 0.00 -1.26 -4.81 105.19 105.52 2ctm n GLY 11 Ca -0.40 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.21 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 3.60 0.04 1.61 0.41 -1.26 -5.03 118.70 117.79 2ctm s GLU 12 Ca 0.00 -0.05 -0.25 0.00 -0.41 0.00 0.00 54.97 54.26 2ctm s GLU 12 Cb 0.00 -3.08 -0.14 0.00 -1.78 0.00 0.00 34.13 29.13 2ctm s GLU 12 CO 0.00 0.65 1.35 -0.07 -0.49 0.00 0.00 175.26 176.70 2ctm h LEU 13 N 4.00 -0.76 -1.48 1.80 3.38 -1.96 -1.27 115.31 119.02 2ctm h LEU 13 Ca -0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2ctm h LEU 13 Cb 1.20 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2ctm h LEU 13 CO 0.66 -0.54 0.22 -0.33 0.09 0.00 0.00 178.44 178.54 2ctm h GLU 14 N -0.92 0.00 0.00 1.13 5.08 -2.04 0.43 114.58 118.26 2ctm h GLU 14 Ca -0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 2ctm h GLU 14 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2ctm h GLU 14 CO 0.15 0.00 -1.17 1.96 -1.00 0.00 0.00 179.01 178.95 2ctm h GLN 15 N 0.00 0.00 -7.24 2.33 4.20 -1.81 -3.47 115.11 109.11 2ctm h GLN 15 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 2ctm h GLN 15 Cb 0.43 0.00 0.20 0.00 0.30 0.00 0.00 27.48 28.41 2ctm h GLN 15 CO 0.00 0.54 0.18 -1.64 -0.67 0.00 0.00 178.83 177.24 2ctm s MET 16 N -2.82 0.60 -0.00 1.46 -1.94 0.15 -4.68 119.30 112.06 2ctm s MET 16 Ca -0.01 1.44 0.02 0.00 -1.71 0.00 0.00 55.69 55.43 2ctm s MET 16 Cb 0.09 -1.69 -0.00 0.00 2.01 0.00 0.00 34.83 35.23 2ctm s MET 16 CO 0.80 -2.89 -0.06 0.14 -0.01 0.00 0.00 175.02 173.01 2ctm s VAL 17 N -2.60 0.43 -0.28 -6.03 -7.23 -0.10 -4.81 120.40 99.78 2ctm s VAL 17 Ca 0.67 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.46 2ctm s VAL 17 Cb -0.23 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 2ctm s VAL 17 CO 0.59 0.12 0.36 -0.55 -0.31 0.00 0.00 175.10 175.31 2ctm s SER 18 N -0.14 6.23 0.27 4.85 0.15 -1.26 -2.28 113.70 121.52 2ctm s SER 18 Ca 0.02 0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.99 2ctm s SER 18 Cb -0.02 -2.20 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 2ctm s SER 18 CO -0.00 -0.19 -0.07 -1.61 1.20 0.00 0.00 173.24 172.57 2ctm s GLU 19 N 2.05 2.09 -0.26 5.44 0.41 0.02 -4.95 118.70 123.50 2ctm s GLU 19 Ca 0.14 -1.54 -0.06 0.00 -0.41 0.00 0.00 54.97 53.10 2ctm s GLU 19 Cb -0.16 -2.03 -0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2ctm s GLU 19 CO 0.10 0.35 0.03 0.16 -0.49 0.00 0.00 175.26 175.42 2ctm s ASP 20 N -3.62 4.84 -0.22 -0.19 -4.77 -1.26 -1.48 116.67 109.97 2ctm s ASP 20 Ca 0.31 -0.53 -0.04 0.00 -3.30 0.00 0.00 52.55 48.99 2ctm s ASP 20 Cb -0.06 -1.83 -0.01 0.00 -1.09 0.00 0.00 42.92 39.93 2ctm s ASP 20 CO 0.18 -0.11 -0.04 -0.69 0.70 0.00 0.00 175.17 175.21 2ctm s VAL 21 N 1.50 3.37 -0.55 2.11 1.01 -0.61 -4.95 120.40 122.29 2ctm s VAL 21 Ca 0.04 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 2ctm s VAL 21 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2ctm s VAL 21 CO 0.01 0.43 1.83 -2.16 0.00 0.00 0.00 175.10 175.20 2ctm s PRO 22 N 1.45 2.80 -0.17 2.72 0.04 -1.26 -1.34 135.00 139.24 2ctm s PRO 22 Ca 0.05 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2ctm s PRO 22 Cb -0.14 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2ctm s PRO 22 CO -0.03 -2.52 -0.15 -1.17 0.04 0.00 0.00 177.00 173.17 2ctm s LEU 23 N 8.50 2.42 0.10 -3.56 2.96 0.19 -4.98 118.68 124.31 2ctm s LEU 23 Ca 0.69 -0.51 -0.32 0.00 -0.22 0.00 0.00 54.13 53.77 2ctm s LEU 23 Cb -0.14 -1.56 -0.12 0.00 0.50 0.00 0.00 46.19 44.87 2ctm s LEU 23 CO 0.24 0.05 1.79 -0.67 -1.32 0.00 0.00 176.35 176.44 2ctm n ASP 24 N 4.28 3.73 0.21 3.68 2.03 -1.26 -4.20 116.55 125.02 2ctm n ASP 24 Ca -0.19 1.01 0.13 0.00 0.52 0.00 0.00 54.79 56.26 2ctm n ASP 24 Cb 0.51 -1.49 0.70 0.00 -0.72 0.00 0.00 41.12 40.13 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 8.04 0.00 0.00 -0.67 2.07 -1.86 0.19 115.15 122.92 2ctm h HIS 25 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2ctm h HIS 25 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2ctm h HIS 25 CO 0.76 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.62 2ctm h ARG 26 N 0.00 0.00 0.00 5.12 3.08 -1.95 -3.21 114.38 117.42 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2ctm h ARG 26 CO 0.00 0.00 -1.46 1.33 -1.07 0.00 0.00 179.97 178.77 2ctm n VAL 27 N -2.91 0.00 0.00 2.04 0.24 0.58 -4.66 118.33 113.62 2ctm n VAL 27 Ca 0.03 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2ctm n VAL 27 Cb 0.40 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 2ctm n VAL 27 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2ctm n HIS 28 N -1.85 0.00 -0.21 6.34 8.25 -0.66 -0.40 115.22 126.69 2ctm n HIS 28 Ca -0.02 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2ctm n HIS 28 Cb 0.27 -0.40 0.13 0.00 1.12 0.00 0.00 29.99 31.11 2ctm n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ctm h ALA 29 N -0.93 0.77 -0.98 -1.41 0.00 -1.86 0.13 119.26 114.98 2ctm h ALA 29 Ca 0.00 0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.30 2ctm h ALA 29 Cb 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2ctm h ALA 29 CO 0.00 -0.32 0.56 0.00 0.00 0.00 0.00 179.25 179.48 2ctm h ARG 30 N 0.25 0.54 0.00 0.00 2.47 -0.99 -0.55 114.38 116.09 2ctm h ARG 30 Ca 0.35 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.03 2ctm h ARG 30 Cb 0.54 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2ctm h ARG 30 CO -0.45 0.36 -0.03 0.82 0.56 0.00 0.00 179.97 181.23 2ctm h ILE 31 N 0.56 1.36 -0.84 2.04 2.04 0.12 -3.35 117.51 119.43 2ctm h ILE 31 Ca 0.63 -2.03 0.16 0.00 1.00 0.00 0.00 64.86 64.62 2ctm h ILE 31 Cb 1.18 2.57 -0.16 0.00 -0.74 0.00 0.00 36.82 39.67 2ctm h ILE 31 CO -0.48 0.46 -0.24 0.40 0.00 0.00 0.00 178.15 178.29 2ctm h ILE 32 N -1.00 0.14 0.00 -0.67 2.04 -0.24 -3.23 117.51 114.55 2ctm h ILE 32 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ctm h ILE 32 Cb 0.77 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2ctm h ILE 32 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2ctm n GLY 33 N -1.53 -0.75 0.00 5.37 0.00 -0.27 -2.86 105.19 105.14 2ctm n GLY 33 Ca 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.86 0.00 0.31 4.61 0.00 -1.26 0.11 120.51 125.13 2ctm n ALA 34 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2ctm n ALA 34 Cb 0.00 0.33 0.43 0.00 0.00 0.00 0.00 19.45 20.21 2ctm n ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ctm n ARG 35 N -1.96 0.12 -1.92 0.00 0.00 -1.26 -4.85 116.66 106.80 2ctm n ARG 35 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 2ctm n ARG 35 Cb 0.00 -1.79 0.00 0.00 -0.00 0.00 0.00 32.46 30.67 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 0.61 0.10 2.89 0.00 0.29 -4.97 105.19 103.60 2ctm n GLY 36 Ca 0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.89 0.67 -0.05 1.61 5.02 -1.24 -3.84 118.16 119.44 2ctm n LYS 37 Ca 0.00 0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 2ctm n LYS 37 Cb 0.46 -1.67 0.48 0.00 -0.02 0.00 0.00 35.03 34.28 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ctm h ALA 38 N 0.84 1.91 0.00 7.82 0.00 -1.77 -0.32 119.26 127.74 2ctm h ALA 38 Ca -0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2ctm h ALA 38 Cb 2.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2ctm h ALA 38 CO 0.05 -0.00 -0.52 0.97 0.00 0.00 0.00 179.25 179.75 2ctm h ILE 39 N 0.45 0.30 -0.02 0.00 6.09 -1.54 -3.27 117.51 119.52 2ctm h ILE 39 Ca 0.23 -1.46 -0.01 0.00 -1.37 0.00 0.00 64.86 62.24 2ctm h ILE 39 Cb 0.32 2.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.63 2ctm h ILE 39 CO -0.06 0.17 -0.02 -0.09 -3.07 0.00 0.00 178.15 175.08 2ctm h ARG 40 N 0.00 0.06 -0.70 2.19 9.65 -1.18 -2.60 114.38 121.80 2ctm h ARG 40 Ca -0.02 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2ctm h ARG 40 Cb 1.18 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 2ctm h ARG 40 CO 0.02 0.53 0.44 1.57 2.80 0.00 0.00 179.97 185.33 2ctm h LYS 41 N -0.41 0.85 -0.62 0.20 2.10 -1.54 -1.29 116.57 115.86 2ctm h LYS 41 Ca 0.00 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2ctm h LYS 41 Cb 0.52 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.62 2ctm h LYS 41 CO 0.01 0.56 0.39 0.82 -2.00 0.00 0.00 179.45 179.22 2ctm h ILE 42 N 0.87 1.09 0.41 0.07 2.04 -1.60 0.25 117.51 120.64 2ctm h ILE 42 Ca 0.28 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2ctm h ILE 42 Cb -0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2ctm h ILE 42 CO -0.10 0.14 -0.20 0.24 0.00 0.00 0.00 178.15 178.23 2ctm h MET 43 N 0.76 -0.53 -0.85 2.37 2.86 -1.03 -2.99 114.93 115.52 2ctm h MET 43 Ca 0.24 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 2ctm h MET 43 Cb 0.00 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2ctm h MET 43 CO -0.09 -0.27 0.56 -0.44 1.06 0.00 0.00 176.91 177.73 2ctm h ASP 44 N -0.71 0.92 -0.21 1.22 3.32 -1.11 1.57 116.42 121.42 2ctm h ASP 44 Ca -0.06 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.03 2ctm h ASP 44 Cb 0.50 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2ctm h ASP 44 CO 0.09 0.64 -0.42 -0.08 -1.72 0.00 0.00 179.24 177.75 2ctm h GLU 45 N 1.07 -0.43 -0.29 3.56 4.81 -0.37 -1.88 114.58 121.05 2ctm h GLU 45 Ca 0.34 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2ctm h GLU 45 Cb 0.01 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2ctm h GLU 45 CO -0.10 -0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.09 2ctm n PHE 46 N -5.43 0.37 -3.62 0.92 3.72 -1.08 -4.95 117.46 107.39 2ctm n PHE 46 Ca -0.03 -0.19 -0.24 0.00 -0.05 0.00 0.00 57.45 56.95 2ctm n PHE 46 Cb 0.36 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.34 -7.19 -4.35 -1.08 4.76 0.50 -4.83 118.16 107.31 2ctm n LYS 47 Ca 0.18 0.79 -0.25 0.00 -2.87 0.00 0.00 58.31 56.16 2ctm n LYS 47 Cb 0.58 -5.78 -0.09 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 -3.34 2.60 -0.45 -0.18 -7.23 0.93 -4.88 120.40 107.85 2ctm s VAL 48 Ca 0.46 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2ctm s VAL 48 Cb -0.21 -2.79 0.12 0.00 0.56 0.00 0.00 36.38 34.06 2ctm s VAL 48 CO 0.75 -0.20 0.22 -0.62 -0.31 0.00 0.00 175.10 174.94 2ctm s ASP 49 N -3.71 5.01 -0.26 4.85 -1.08 -0.74 -4.46 116.67 116.27 2ctm s ASP 49 Ca 0.35 -2.35 -0.29 0.00 -0.52 0.00 0.00 52.55 49.75 2ctm s ASP 49 Cb 0.00 -1.76 0.01 0.00 -1.46 0.00 0.00 42.92 39.71 2ctm s ASP 49 CO 0.19 -0.43 1.03 -0.63 0.52 0.00 0.00 175.17 175.85 2ctm s ILE 50 N 0.67 4.64 -0.30 4.11 1.01 -1.26 -0.28 121.20 129.79 2ctm s ILE 50 Ca 0.12 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 62.58 2ctm s ILE 50 Cb -0.22 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 37.94 2ctm s ILE 50 CO -0.04 -0.27 0.08 -0.60 0.00 0.00 0.00 174.94 174.11 2ctm s ARG 51 N 3.31 3.02 0.46 2.79 3.00 0.18 -4.96 118.95 126.75 2ctm s ARG 51 Ca 0.43 -0.91 -0.15 0.00 -1.00 0.00 0.00 55.73 54.11 2ctm s ARG 51 Cb -0.14 -3.38 -0.08 0.00 0.00 0.00 0.00 34.95 31.35 2ctm s ARG 51 CO 0.09 -0.48 0.90 -0.06 0.00 0.00 0.00 175.30 175.76 2ctm s PHE 52 N 1.48 3.44 -0.23 5.12 0.40 -1.26 0.44 117.98 127.37 2ctm s PHE 52 Ca 0.02 1.33 -0.29 0.00 -0.60 0.00 0.00 56.93 57.39 2ctm s PHE 52 Cb -0.17 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 2ctm s PHE 52 CO 0.02 -0.24 1.62 -1.25 0.70 0.00 0.00 175.22 176.07 2ctm s PRO 53 N -3.87 3.76 1.37 0.24 0.04 -1.25 -4.89 135.00 130.40 2ctm s PRO 53 Ca 0.56 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 2ctm s PRO 53 Cb -0.10 -4.04 0.34 0.00 0.04 0.00 0.00 34.50 30.73 2ctm s PRO 53 CO 0.29 -1.34 0.81 0.00 0.04 0.00 0.00 177.00 176.80 2ctm n GLN 54 N 7.72 -4.08 0.12 4.56 10.64 -1.26 -4.75 117.38 130.33 2ctm n GLN 54 Ca 0.19 -1.20 -0.13 0.00 -1.83 0.00 0.00 57.00 54.02 2ctm n GLN 54 Cb 0.45 -1.91 -0.06 0.00 -0.86 0.00 0.00 30.24 27.87 2ctm n GLN 54 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2ctm h SER 55 N -3.34 -0.87 -0.13 2.61 0.87 -2.02 -1.10 113.55 109.57 2ctm h SER 55 Ca -0.43 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2ctm h SER 55 Cb 1.27 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 2ctm h SER 55 CO 0.28 -0.40 0.02 0.61 -0.53 0.00 0.00 176.83 176.82 2ctm n GLY 56 N -1.41 1.92 3.76 5.77 0.00 -1.26 -4.91 105.19 109.06 2ctm n GLY 56 Ca -0.07 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.27 2.89 0.29 4.61 0.00 -0.42 -4.94 121.76 122.92 2ctm s ALA 57 Ca 0.12 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.18 2ctm s ALA 57 Cb 0.09 -3.43 0.45 0.00 0.00 0.00 0.00 23.12 20.23 2ctm s ALA 57 CO 0.03 -0.87 1.68 -1.00 0.00 0.00 0.00 175.76 175.61 2ctm h PRO 58 N 1.78 0.16 -2.93 0.00 0.13 -1.91 -3.38 132.00 125.84 2ctm h PRO 58 Ca -0.50 -0.08 -0.61 0.00 -0.87 0.00 0.00 66.00 63.94 2ctm h PRO 58 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.00 2ctm h PRO 58 CO 0.59 0.60 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.70 2ctm s ASP 59 N -6.89 3.55 0.00 1.44 1.11 -1.26 -4.95 116.67 109.67 2ctm s ASP 59 Ca -0.04 -2.58 0.15 0.00 0.18 0.00 0.00 52.55 50.27 2ctm s ASP 59 Cb 0.13 -0.95 0.88 0.00 1.07 0.00 0.00 42.92 44.05 2ctm s ASP 59 CO 0.77 -0.27 1.36 -0.81 1.18 0.00 0.00 175.17 177.39 2ctm n PRO 60 N 3.59 0.41 -0.10 8.23 -0.04 -1.26 -1.83 135.00 144.00 2ctm n PRO 60 Ca 0.09 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2ctm n PRO 60 Cb 0.35 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.08 2.53 -4.13 3.54 0.23 -1.26 -4.51 115.26 110.59 2ctm n ASN 61 Ca 0.10 -2.03 -0.24 0.00 -0.53 0.00 0.00 54.58 51.88 2ctm n ASN 61 Cb 0.07 -0.14 -0.15 0.00 -2.08 0.00 0.00 39.78 37.48 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 -0.29 2.75 -0.58 0.00 -7.23 -0.45 -3.80 120.40 110.81 2ctm s VAL 63 Ca 0.04 -0.78 -0.22 0.00 -1.81 0.00 0.00 61.98 59.22 2ctm s VAL 63 Cb -0.07 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.81 2ctm s VAL 63 CO -0.00 0.54 0.83 -0.89 -0.31 0.00 0.00 175.10 175.27 2ctm s THR 64 N 0.29 4.55 -0.12 5.32 2.01 0.17 -1.58 115.64 126.29 2ctm s THR 64 Ca -0.12 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 2ctm s THR 64 Cb -0.16 -4.52 -0.05 0.00 0.01 0.00 0.00 72.50 67.78 2ctm s THR 64 CO 0.06 -1.15 0.38 -0.69 -0.69 0.00 0.00 174.62 172.53 2ctm s VAL 65 N 3.47 5.22 0.24 3.82 1.01 -0.55 0.47 120.40 134.08 2ctm s VAL 65 Ca 0.21 0.74 0.07 0.00 0.00 0.00 0.00 61.98 63.00 2ctm s VAL 65 Cb -0.17 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2ctm s VAL 65 CO 0.13 0.40 0.17 -0.89 0.00 0.00 0.00 175.10 174.90 2ctm s THR 66 N 0.22 4.36 0.00 3.92 2.01 0.62 -0.80 115.64 125.97 2ctm s THR 66 Ca 0.21 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.82 2ctm s THR 66 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2ctm s THR 66 CO 0.08 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2ctm n GLY 67 N -1.00 3.17 3.38 4.40 0.00 -0.97 -1.79 105.19 112.39 2ctm n GLY 67 Ca -0.08 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.67 0.22 0.99 7.99 -1.26 -0.92 117.00 123.35 2ctm n LEU 68 Ca 0.00 0.60 0.15 0.00 -0.01 0.00 0.00 56.01 56.75 2ctm n LEU 68 Cb 0.00 -1.10 0.63 0.00 -0.11 0.00 0.00 43.42 42.84 2ctm n LEU 68 CO 0.00 -3.69 0.95 1.55 -1.51 0.00 0.00 177.39 174.69 2ctm h PRO 69 N -0.24 0.00 0.02 3.23 0.13 -1.88 -0.13 132.00 133.13 2ctm h PRO 69 Ca -0.44 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 2ctm h PRO 69 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2ctm h PRO 69 CO 0.42 0.00 -1.19 1.05 -0.23 0.00 0.00 178.00 178.04 2ctm h GLU 70 N 0.00 0.05 0.08 0.86 4.11 -2.00 -3.26 114.58 114.41 2ctm h GLU 70 Ca 0.00 -0.08 -0.32 0.00 0.07 0.00 0.00 59.36 59.04 2ctm h GLU 70 Cb 0.44 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ctm h GLU 70 CO 0.00 0.94 -1.72 0.09 0.07 0.00 0.00 179.01 178.38 2ctm n ASN 71 N -3.32 2.02 -0.20 3.06 3.02 -1.06 -4.11 115.26 114.67 2ctm n ASN 71 Ca -0.05 0.29 0.01 0.00 -0.03 0.00 0.00 54.58 54.80 2ctm n ASN 71 Cb 0.98 -0.90 0.10 0.00 -0.61 0.00 0.00 39.78 39.34 2ctm n ASN 71 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2ctm h VAL 72 N -0.36 0.49 -0.51 2.41 2.07 -1.18 -0.43 116.25 118.74 2ctm h VAL 72 Ca -0.40 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2ctm h VAL 72 Cb 1.75 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 2ctm h VAL 72 CO -0.03 0.02 0.06 1.05 0.02 0.00 0.00 177.57 178.69 2ctm h GLU 73 N 0.11 0.18 -0.62 1.57 4.11 -1.74 -0.52 114.58 117.66 2ctm h GLU 73 Ca 0.32 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 2ctm h GLU 73 Cb 0.51 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2ctm h GLU 73 CO -0.53 0.12 0.37 0.93 0.07 0.00 0.00 179.01 179.96 2ctm h GLU 74 N 0.19 0.84 0.14 1.06 4.39 -1.28 -2.93 114.58 116.99 2ctm h GLU 74 Ca 0.26 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2ctm h GLU 74 Cb 0.37 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2ctm h GLU 74 CO -0.37 0.61 -0.14 0.00 -1.16 0.00 0.00 179.01 177.94 2ctm h ALA 75 N 1.19 -0.28 -0.49 3.43 0.00 -0.13 -3.01 119.26 119.96 2ctm h ALA 75 Ca 0.22 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2ctm h ALA 75 Cb -0.02 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 2ctm h ALA 75 CO -0.04 -0.68 -0.46 0.82 0.00 0.00 0.00 179.25 178.89 2ctm h ILE 76 N -0.31 0.08 -0.90 0.00 2.04 -0.98 0.49 117.51 117.92 2ctm h ILE 76 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 2ctm h ILE 76 Cb 0.30 0.08 -0.16 0.00 -0.74 0.00 0.00 36.82 36.29 2ctm h ILE 76 CO -0.04 0.00 0.00 -0.78 0.00 0.00 0.00 178.15 177.33 2ctm h ASP 77 N -0.29 -0.45 -0.68 1.72 3.58 -1.39 0.71 116.42 119.61 2ctm h ASP 77 Ca 0.14 0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.78 2ctm h ASP 77 Cb 0.58 0.44 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2ctm h ASP 77 CO -0.64 -0.28 0.20 -0.74 -2.88 0.00 0.00 179.24 174.91 2ctm h HIS 78 N 0.05 1.12 0.78 0.28 2.76 -0.86 -2.04 115.15 117.24 2ctm h HIS 78 Ca 0.52 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.53 2ctm h HIS 78 Cb 0.99 -0.32 0.01 0.00 1.55 0.00 0.00 27.41 29.63 2ctm h HIS 78 CO -0.49 0.90 -0.37 0.82 -1.30 0.00 0.00 177.93 177.48 2ctm h ILE 79 N 1.04 0.20 -0.62 6.26 2.04 0.16 -2.50 117.51 124.09 2ctm h ILE 79 Ca 0.22 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 66.15 2ctm h ILE 79 Cb 0.31 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2ctm h ILE 79 CO -0.01 0.01 0.42 -0.07 0.00 0.00 0.00 178.15 178.50 2ctm h LEU 80 N -1.10 0.26 -0.38 1.44 3.38 -1.07 -1.08 115.31 116.76 2ctm h LEU 80 Ca -0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ctm h LEU 80 Cb 0.81 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2ctm h LEU 80 CO 0.18 0.14 0.22 -1.13 0.09 0.00 0.00 178.44 177.93 2ctm h ASN 81 N 0.28 0.46 0.21 -0.43 -1.24 -1.05 -2.52 115.58 111.29 2ctm h ASN 81 Ca 0.30 -0.07 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 2ctm h ASN 81 Cb 0.78 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2ctm h ASN 81 CO -0.07 0.40 -0.43 -0.07 -1.29 0.00 0.00 177.43 175.97 2ctm h LEU 82 N 0.49 0.29 0.62 0.34 3.38 -0.80 -1.07 115.31 118.55 2ctm h LEU 82 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ctm h LEU 82 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ctm h LEU 82 CO -0.02 0.69 -0.47 -0.08 0.09 0.00 0.00 178.44 178.65 2ctm h GLU 83 N 0.23 -1.00 -0.13 1.13 4.81 -0.92 0.26 114.58 118.95 2ctm h GLU 83 Ca 0.02 0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2ctm h GLU 83 Cb 0.85 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2ctm h GLU 83 CO 0.07 -0.67 -0.36 1.49 -0.73 0.00 0.00 179.01 178.81 2ctm h GLU 84 N -1.04 0.28 -0.74 1.92 4.57 -1.52 -1.77 114.58 116.28 2ctm h GLU 84 Ca -0.08 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 2ctm h GLU 84 Cb 0.86 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 2ctm h GLU 84 CO 0.03 0.61 0.25 1.49 -1.18 0.00 0.00 179.01 180.21 2ctm h GLU 85 N 0.24 1.13 0.05 1.92 4.57 -0.96 -0.02 114.58 121.51 2ctm h GLU 85 Ca 0.03 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2ctm h GLU 85 Cb 0.76 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2ctm h GLU 85 CO 0.06 0.94 -0.03 1.88 -1.18 0.00 0.00 179.01 180.69 2ctm h TYR 86 N 1.09 -0.07 -0.56 0.92 0.05 -0.31 -3.27 116.97 114.82 2ctm h TYR 86 Ca 0.24 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.10 2ctm h TYR 86 Cb 0.27 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 2ctm h TYR 86 CO 0.02 0.55 0.38 -0.07 -1.05 0.00 0.00 178.16 177.99 2ctm h LEU 87 N -0.82 0.37 -2.75 3.88 3.38 -1.32 0.90 115.31 118.96 2ctm h LEU 87 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ctm h LEU 87 Cb 0.65 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2ctm h LEU 87 CO 0.01 0.23 -0.01 0.00 0.09 0.00 0.00 178.44 178.77 2ctm h ALA 88 N 1.71 1.11 -0.21 1.53 0.00 -1.04 -2.64 119.26 119.71 2ctm h ALA 88 Ca 0.25 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2ctm h ALA 88 Cb 0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2ctm h ALA 88 CO -0.07 0.01 0.17 -3.47 0.00 0.00 0.00 179.25 175.88 2ctm n ASP 89 N -3.25 5.84 -4.23 0.00 2.03 0.31 -4.76 116.55 112.49 2ctm n ASP 89 Ca -0.03 -2.71 -0.37 0.00 0.52 0.00 0.00 54.79 52.21 2ctm n ASP 89 Cb 0.10 -1.12 -0.04 0.00 -0.72 0.00 0.00 41.12 39.34 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 1.05 -2.98 -3.67 1.67 2.88 -1.01 -4.91 113.62 106.65 2ctm n SER 90 Ca 0.16 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2ctm n SER 90 Cb 0.55 -2.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.54 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 -1.28 -2.92 3.77 0.46 0.00 -1.15 -4.76 105.19 99.31 2ctm n GLY 91 Ca 0.09 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 4.22 -0.82 1.61 0.04 -1.26 -3.35 135.00 135.44 2ctm s PRO 92 Ca 0.00 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2ctm s PRO 92 Cb 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2ctm s PRO 92 CO 0.00 -0.21 0.41 0.43 0.04 0.00 0.00 177.00 177.67 2ctm n SER 93 N 0.46 -4.13 -3.93 6.66 7.64 -1.26 -5.01 113.62 114.05 2ctm n SER 93 Ca 0.02 -0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.40 2ctm n SER 93 Cb 0.45 -2.93 -0.15 0.00 -1.01 0.00 0.00 64.21 60.56 2ctm n SER 93 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ctm s SER 94 N -2.93 4.28 0.00 6.43 0.01 -1.21 -5.18 113.70 115.10 2ctm s SER 94 Ca 0.21 -1.67 0.30 0.00 1.31 0.00 0.00 55.95 56.09 2ctm s SER 94 Cb -0.09 -1.30 1.44 0.00 0.21 0.00 0.00 66.02 66.28 2ctm s SER 94 CO 0.25 -0.33 1.97 0.61 0.41 0.00 0.00 173.24 176.15