#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 -0.19 -0.27 1.61 0.15 -1.26 -5.16 113.70 108.58 2ctm s SER 2 Ca 0.00 -0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 2ctm s SER 2 Cb 0.00 0.44 0.14 0.00 -1.71 0.00 0.00 66.02 64.89 2ctm s SER 2 CO 0.00 -0.78 0.56 -0.94 1.20 0.00 0.00 173.24 173.28 2ctm s SER 3 N -2.59 -0.88 -0.70 5.45 1.04 -1.26 -5.11 113.70 109.66 2ctm s SER 3 Ca 0.01 1.12 -0.03 0.00 0.48 0.00 0.00 55.95 57.53 2ctm s SER 3 Cb 0.02 1.95 0.18 0.00 0.10 0.00 0.00 66.02 68.26 2ctm s SER 3 CO -0.09 -0.24 0.53 -0.83 0.98 0.00 0.00 173.24 173.58 2ctm s GLY 4 N 2.79 2.66 0.20 7.32 0.00 -1.26 -4.94 107.32 114.09 2ctm s GLY 4 Ca 0.04 -3.43 -0.16 0.00 0.00 0.00 0.00 44.72 41.18 2ctm s GLY 4 CO -0.18 1.13 1.62 1.76 0.00 0.00 0.00 173.10 177.42 2ctm h SER 5 N 6.75 -0.74 -3.13 1.64 0.02 -2.05 -3.32 113.55 112.72 2ctm h SER 5 Ca 0.03 0.19 -0.65 0.00 -0.84 0.00 0.00 61.79 60.53 2ctm h SER 5 Cb 0.92 0.43 -0.15 0.00 0.14 0.00 0.00 62.40 63.73 2ctm h SER 5 CO 0.74 -0.24 0.31 -0.44 -1.14 0.00 0.00 176.83 176.07 2ctm s SER 6 N -5.20 6.26 -0.29 3.07 0.01 -1.26 -4.97 113.70 111.32 2ctm s SER 6 Ca -0.14 -0.75 -0.26 0.00 1.31 0.00 0.00 55.95 56.11 2ctm s SER 6 Cb 0.18 -2.36 0.17 0.00 0.21 0.00 0.00 66.02 64.21 2ctm s SER 6 CO 0.72 -1.11 1.31 -0.83 0.41 0.00 0.00 173.24 173.74 2ctm s GLY 7 N 2.94 0.17 0.68 3.44 0.00 -1.25 -5.17 107.32 108.13 2ctm s GLY 7 Ca 0.22 3.18 -0.09 0.00 0.00 0.00 0.00 44.72 48.03 2ctm s GLY 7 CO 0.14 1.81 1.02 0.50 0.00 0.00 0.00 173.10 176.57 2ctm s ARG 8 N -0.05 2.61 0.34 2.90 1.81 -1.26 -5.10 118.95 120.20 2ctm s ARG 8 Ca 0.06 0.09 -0.17 0.00 -1.72 0.00 0.00 55.73 53.99 2ctm s ARG 8 Cb -0.04 -2.13 0.04 0.00 -0.45 0.00 0.00 34.95 32.36 2ctm s ARG 8 CO -0.12 -1.04 0.74 0.96 -0.68 0.00 0.00 175.30 175.17 2ctm s ILE 9 N -3.24 0.00 -0.22 1.52 -4.36 -1.26 -5.07 121.20 108.57 2ctm s ILE 9 Ca 0.58 -1.03 0.09 0.00 -0.26 0.00 0.00 60.65 60.03 2ctm s ILE 9 Cb -0.11 -2.50 -0.20 0.00 1.25 0.00 0.00 42.46 40.90 2ctm s ILE 9 CO 0.47 0.00 -0.08 0.52 0.24 0.00 0.00 174.94 176.09 2ctm n VAL 10 N -0.50 1.38 -3.18 8.37 0.31 -1.26 -5.02 118.33 118.43 2ctm n VAL 10 Ca -0.06 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2ctm n VAL 10 Cb 0.60 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 2.07 -1.93 3.88 2.92 0.00 -1.26 -4.85 105.19 106.02 2ctm n GLY 11 Ca -0.38 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 3.19 0.06 1.61 0.41 -1.26 -5.05 118.70 117.67 2ctm s GLU 12 Ca 0.00 -0.78 -0.35 0.00 -0.41 0.00 0.00 54.97 53.43 2ctm s GLU 12 Cb 0.00 -2.79 -0.20 0.00 -1.78 0.00 0.00 34.13 29.36 2ctm s GLU 12 CO 0.00 0.48 1.58 -0.07 -0.49 0.00 0.00 175.26 176.76 2ctm h LEU 13 N 1.99 -0.95 -1.23 1.80 -0.00 -1.96 -2.62 115.31 112.34 2ctm h LEU 13 Ca -0.49 0.03 0.16 0.00 -0.00 0.00 0.00 57.88 57.58 2ctm h LEU 13 Cb 1.21 0.25 -0.08 0.00 -0.00 0.00 0.00 40.66 42.04 2ctm h LEU 13 CO 0.65 -0.67 0.59 -0.33 -0.00 0.00 0.00 178.44 178.68 2ctm h GLU 14 N -1.13 0.69 -0.91 1.13 5.08 -2.02 -0.33 114.58 117.08 2ctm h GLU 14 Ca -0.11 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2ctm h GLU 14 Cb 0.86 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2ctm h GLU 14 CO 0.19 0.46 0.57 1.96 -1.00 0.00 0.00 179.01 181.19 2ctm h GLN 15 N 0.71 1.00 -6.64 2.33 1.08 -1.91 -3.43 115.11 108.26 2ctm h GLN 15 Ca 0.48 -0.06 -0.56 0.00 -1.45 0.00 0.00 58.65 57.06 2ctm h GLN 15 Cb 0.77 -0.23 0.19 0.00 -0.05 0.00 0.00 27.48 28.17 2ctm h GLN 15 CO -0.24 0.66 -0.45 -1.33 -0.95 0.00 0.00 178.83 176.52 2ctm n MET 16 N -4.59 0.25 -4.41 1.46 2.81 -0.14 -4.67 117.12 107.84 2ctm n MET 16 Ca 0.14 0.12 -0.19 0.00 -1.81 0.00 0.00 57.70 55.96 2ctm n MET 16 Cb 0.19 -1.80 -0.14 0.00 -0.71 0.00 0.00 33.22 30.76 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 -1.95 0.87 -0.26 2.03 -7.23 0.12 -4.79 120.40 109.19 2ctm s VAL 17 Ca 0.64 -0.58 -0.14 0.00 -1.81 0.00 0.00 61.98 60.09 2ctm s VAL 17 Cb -0.34 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2ctm s VAL 17 CO 0.59 0.16 0.31 -0.94 -0.31 0.00 0.00 175.10 174.91 2ctm s SER 18 N -0.48 6.21 0.27 4.85 1.04 -1.26 -2.43 113.70 121.90 2ctm s SER 18 Ca 0.03 0.23 0.12 0.00 0.48 0.00 0.00 55.95 56.81 2ctm s SER 18 Cb -0.05 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 2ctm s SER 18 CO -0.00 -0.11 -0.20 -1.61 0.98 0.00 0.00 173.24 172.30 2ctm s GLU 19 N 1.78 1.66 -0.33 4.02 0.41 -0.76 -4.98 118.70 120.50 2ctm s GLU 19 Ca 0.13 -1.75 -0.07 0.00 -0.41 0.00 0.00 54.97 52.87 2ctm s GLU 19 Cb -0.15 -1.76 0.03 0.00 -1.78 0.00 0.00 34.13 30.46 2ctm s GLU 19 CO 0.09 0.33 0.11 -0.51 -0.49 0.00 0.00 175.26 174.79 2ctm s ASP 20 N -3.45 5.29 -0.25 -0.19 1.01 -1.26 -2.07 116.67 115.75 2ctm s ASP 20 Ca 0.29 -1.00 -0.07 0.00 0.71 0.00 0.00 52.55 52.49 2ctm s ASP 20 Cb -0.05 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 2ctm s ASP 20 CO 0.14 -0.29 0.05 -0.69 0.21 0.00 0.00 175.17 174.60 2ctm s VAL 21 N 1.45 4.10 -0.62 -1.27 1.01 -0.64 -4.95 120.40 119.47 2ctm s VAL 21 Ca -0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 2ctm s VAL 21 Cb -0.19 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2ctm s VAL 21 CO 0.03 0.31 1.86 -2.16 0.00 0.00 0.00 175.10 175.14 2ctm s PRO 22 N 1.57 2.62 -0.18 2.72 0.04 -1.26 -1.47 135.00 139.05 2ctm s PRO 22 Ca 0.06 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 2ctm s PRO 22 Cb -0.15 -4.40 -0.00 0.00 0.04 0.00 0.00 34.50 29.99 2ctm s PRO 22 CO 0.02 -2.75 -0.13 -1.17 0.04 0.00 0.00 177.00 173.02 2ctm s LEU 23 N 9.10 2.56 0.39 -3.56 2.96 0.19 -4.97 118.68 125.35 2ctm s LEU 23 Ca 0.67 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.85 2ctm s LEU 23 Cb -0.12 -1.61 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 2ctm s LEU 23 CO 0.20 0.04 1.27 -0.67 -1.32 0.00 0.00 176.35 175.87 2ctm n ASP 24 N 4.35 2.59 0.06 3.68 -0.08 -1.26 -3.89 116.55 122.00 2ctm n ASP 24 Ca -0.19 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.34 2ctm n ASP 24 Cb 0.51 -1.49 0.43 0.00 2.34 0.00 0.00 41.12 42.91 2ctm n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ctm n HIS 25 N -0.00 0.41 0.10 -0.67 1.44 -1.26 -2.52 115.22 112.71 2ctm n HIS 25 Ca 0.06 0.15 -0.03 0.00 -2.01 0.00 0.00 57.72 55.89 2ctm n HIS 25 Cb 0.38 -0.74 -0.04 0.00 0.12 0.00 0.00 29.99 29.71 2ctm n HIS 25 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ctm h ARG 26 N 0.00 0.00 -0.16 -1.40 3.08 -1.92 -3.22 114.38 110.76 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2ctm h ARG 26 CO 0.00 0.77 0.00 1.33 -1.07 0.00 0.00 179.97 181.00 2ctm n VAL 27 N -3.33 0.20 0.39 2.04 0.24 -1.05 -4.53 118.33 112.30 2ctm n VAL 27 Ca 0.01 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.34 61.55 2ctm n VAL 27 Cb 0.84 1.25 -0.08 0.00 -1.47 0.00 0.00 33.84 34.38 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 4.13 -0.97 -0.82 6.34 3.86 -1.51 -2.35 115.15 123.83 2ctm h HIS 28 Ca 0.00 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2ctm h HIS 28 Cb 0.90 0.33 -0.05 0.00 1.06 0.00 0.00 27.41 29.65 2ctm h HIS 28 CO 0.09 -0.59 0.53 0.00 0.86 0.00 0.00 177.93 178.82 2ctm h ALA 29 N -1.48 1.07 -0.81 2.45 0.00 -1.80 0.17 119.26 118.86 2ctm h ALA 29 Ca -0.10 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 54.99 2ctm h ALA 29 Cb 0.78 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2ctm h ALA 29 CO 0.15 0.37 0.57 0.00 0.00 0.00 0.00 179.25 180.34 2ctm h ARG 30 N 1.04 0.14 0.01 0.00 -0.00 -1.77 -0.35 114.38 113.45 2ctm h ARG 30 Ca 0.32 -0.01 -0.29 0.00 -0.50 0.00 0.00 59.98 59.50 2ctm h ARG 30 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.88 2ctm h ARG 30 CO -0.10 0.09 -1.59 -0.89 0.00 0.00 0.00 179.97 177.48 2ctm n ILE 31 N -4.38 1.55 -0.19 2.04 5.41 -0.60 -4.39 119.36 118.80 2ctm n ILE 31 Ca 0.17 -0.16 -0.02 0.00 1.00 0.00 0.00 62.75 63.74 2ctm n ILE 31 Cb 0.78 -1.98 0.05 0.00 -0.71 0.00 0.00 39.64 37.79 2ctm n ILE 31 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2ctm h ILE 32 N -0.89 0.40 0.00 1.39 2.04 -0.27 -3.04 117.51 117.13 2ctm h ILE 32 Ca -0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2ctm h ILE 32 Cb 1.44 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2ctm h ILE 32 CO -0.23 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.53 2ctm n GLY 33 N -1.41 -0.20 0.33 5.37 0.00 -0.18 -3.05 105.19 106.06 2ctm n GLY 33 Ca 0.06 -1.25 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 1.51 -0.34 0.11 4.61 0.00 -1.26 0.11 120.51 125.25 2ctm n ALA 34 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 53.44 54.17 2ctm n ALA 34 Cb 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.29 2ctm n ALA 34 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2ctm h ARG 35 N 0.00 0.00 0.00 0.00 9.65 -1.99 -3.47 114.38 118.57 2ctm h ARG 35 Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2ctm h ARG 35 Cb 0.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2ctm h ARG 35 CO -0.80 0.74 0.00 0.41 2.80 0.00 0.00 179.97 183.13 2ctm n GLY 36 N 0.67 0.93 0.13 2.80 0.00 0.31 -4.98 105.19 105.05 2ctm n GLY 36 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 4.04 0.40 -0.91 1.61 3.64 -1.79 -3.34 116.57 120.22 2ctm h LYS 37 Ca 0.00 -0.68 0.14 0.00 -1.27 0.00 0.00 60.65 58.85 2ctm h LYS 37 Cb 0.00 0.25 -0.15 0.00 -0.41 0.00 0.00 32.23 31.92 2ctm h LYS 37 CO 0.00 1.30 -0.38 0.00 -2.27 0.00 0.00 179.45 178.11 2ctm h ALA 38 N 0.31 0.12 0.00 5.00 0.00 -1.80 1.25 119.26 124.15 2ctm h ALA 38 Ca -0.25 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ctm h ALA 38 Cb 2.09 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 20.83 2ctm h ALA 38 CO 0.22 -0.63 -0.11 0.97 0.00 0.00 0.00 179.25 179.69 2ctm h ILE 39 N -0.03 0.98 -0.32 0.00 6.09 -1.45 -1.98 117.51 120.79 2ctm h ILE 39 Ca 0.32 -0.41 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 2ctm h ILE 39 Cb 0.59 1.22 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 2ctm h ILE 39 CO -0.93 0.11 -0.01 -0.09 -3.07 0.00 0.00 178.15 174.17 2ctm h ARG 40 N 0.00 0.50 -0.29 2.19 9.65 0.14 -1.61 114.38 124.96 2ctm h ARG 40 Ca -0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2ctm h ARG 40 Cb 0.22 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2ctm h ARG 40 CO 0.01 0.53 0.19 -0.22 2.80 0.00 0.00 179.97 183.29 2ctm h LYS 41 N 0.48 0.39 -0.14 0.20 3.64 -0.55 -1.69 116.57 118.90 2ctm h LYS 41 Ca 0.10 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2ctm h LYS 41 Cb 0.33 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2ctm h LYS 41 CO 0.01 0.26 -0.08 0.82 -2.27 0.00 0.00 179.45 178.19 2ctm h ILE 42 N 0.40 1.32 -0.74 2.00 2.04 -1.56 -1.01 117.51 119.95 2ctm h ILE 42 Ca 0.11 -1.15 0.18 0.00 1.00 0.00 0.00 64.86 65.00 2ctm h ILE 42 Cb -0.04 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2ctm h ILE 42 CO -0.02 0.33 0.51 0.24 0.00 0.00 0.00 178.15 179.21 2ctm h MET 43 N -0.06 0.20 0.21 2.37 2.86 -1.18 -0.79 114.93 118.54 2ctm h MET 43 Ca 0.03 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.31 2ctm h MET 43 Cb 0.56 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.20 2ctm h MET 43 CO 0.02 0.13 -1.61 -0.44 1.06 0.00 0.00 176.91 176.07 2ctm h ASP 44 N 0.21 0.69 -0.18 1.22 3.32 -1.16 0.53 116.42 121.05 2ctm h ASP 44 Ca 0.37 -0.88 0.05 0.00 0.02 0.00 0.00 57.03 56.58 2ctm h ASP 44 Cb 1.13 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 2ctm h ASP 44 CO -0.07 1.72 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.88 2ctm h GLU 45 N 0.12 -0.23 -0.61 3.56 4.57 0.22 -2.19 114.58 120.02 2ctm h GLU 45 Ca -0.30 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2ctm h GLU 45 Cb 2.12 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.77 2ctm h GLU 45 CO 0.22 -0.15 0.00 1.19 -1.18 0.00 0.00 179.01 179.08 2ctm n PHE 46 N -5.35 0.98 -4.09 0.92 3.72 -0.82 -4.96 117.46 107.86 2ctm n PHE 46 Ca -0.02 -0.54 -0.29 0.00 -0.05 0.00 0.00 57.45 56.55 2ctm n PHE 46 Cb 0.27 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.21 -2.83 -4.32 -1.08 4.76 -0.07 -4.85 118.16 110.99 2ctm n LYS 47 Ca 0.22 0.34 -0.25 0.00 -2.87 0.00 0.00 58.31 55.74 2ctm n LYS 47 Cb 0.65 -4.50 -0.09 0.00 -1.84 0.00 0.00 35.03 29.25 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 -3.87 2.36 -0.29 -0.18 -7.23 0.17 -4.89 120.40 106.47 2ctm s VAL 48 Ca 0.18 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2ctm s VAL 48 Cb -0.10 -2.92 0.08 0.00 0.56 0.00 0.00 36.38 34.00 2ctm s VAL 48 CO 0.92 -0.08 -0.03 -1.81 -0.31 0.00 0.00 175.10 173.79 2ctm s ASP 49 N -3.79 4.47 -0.33 4.85 1.01 -0.73 -4.46 116.67 117.69 2ctm s ASP 49 Ca 0.37 -1.68 -0.19 0.00 0.71 0.00 0.00 52.55 51.76 2ctm s ASP 49 Cb 0.04 -1.50 -0.01 0.00 1.01 0.00 0.00 42.92 42.46 2ctm s ASP 49 CO 0.20 -0.28 0.59 -0.63 0.21 0.00 0.00 175.17 175.26 2ctm s ILE 50 N 1.09 4.96 -0.37 0.77 1.01 -1.26 -0.72 121.20 126.68 2ctm s ILE 50 Ca 0.00 0.63 -0.12 0.00 0.00 0.00 0.00 60.65 61.16 2ctm s ILE 50 Cb -0.19 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.30 2ctm s ILE 50 CO -0.07 -0.19 0.22 -0.60 0.00 0.00 0.00 174.94 174.29 2ctm s ARG 51 N 2.55 2.94 0.45 2.79 3.00 0.45 -4.95 118.95 126.18 2ctm s ARG 51 Ca 0.23 -1.01 -0.19 0.00 -1.00 0.00 0.00 55.73 53.76 2ctm s ARG 51 Cb -0.15 -3.76 -0.10 0.00 0.00 0.00 0.00 34.95 30.95 2ctm s ARG 51 CO 0.13 -0.66 0.94 -0.06 0.00 0.00 0.00 175.30 175.64 2ctm s PHE 52 N 1.59 3.37 -0.04 5.12 0.40 -1.26 -0.61 117.98 126.55 2ctm s PHE 52 Ca 0.03 1.51 -0.30 0.00 -0.60 0.00 0.00 56.93 57.57 2ctm s PHE 52 Cb -0.19 -2.79 -0.05 0.00 0.51 0.00 0.00 43.02 40.50 2ctm s PHE 52 CO 0.07 -0.19 1.48 -1.25 0.70 0.00 0.00 175.22 176.03 2ctm s PRO 53 N -3.52 4.23 1.13 0.24 0.04 -1.25 -4.94 135.00 130.93 2ctm s PRO 53 Ca 0.60 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.53 2ctm s PRO 53 Cb -0.09 -3.74 0.26 0.00 0.04 0.00 0.00 34.50 30.97 2ctm s PRO 53 CO 0.21 -0.70 1.04 1.14 0.04 0.00 0.00 177.00 178.73 2ctm s GLN 54 N 3.15 -0.64 0.15 4.56 -2.07 -1.26 -4.78 119.66 118.77 2ctm s GLN 54 Ca 0.66 0.85 -0.27 0.00 -1.82 0.00 0.00 55.36 54.79 2ctm s GLN 54 Cb -0.31 -1.59 -0.01 0.00 -1.09 0.00 0.00 33.01 30.02 2ctm s GLN 54 CO 0.26 -3.54 1.58 1.03 -1.32 0.00 0.00 175.29 173.30 2ctm h SER 55 N -2.49 -1.35 -0.23 12.60 0.87 -2.02 0.22 113.55 121.16 2ctm h SER 55 Ca -0.59 0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 2ctm h SER 55 Cb 1.33 0.58 -0.04 0.00 -0.44 0.00 0.00 62.40 63.83 2ctm h SER 55 CO 0.51 -0.38 0.09 0.61 -0.53 0.00 0.00 176.83 177.13 2ctm n GLY 56 N -1.42 2.31 3.77 5.77 0.00 -1.26 -4.92 105.19 109.44 2ctm n GLY 56 Ca -0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.26 2.65 0.30 4.61 0.00 0.78 -4.95 121.76 123.89 2ctm s ALA 57 Ca 0.16 0.77 0.14 0.00 0.00 0.00 0.00 51.96 53.04 2ctm s ALA 57 Cb 0.13 -3.35 0.66 0.00 0.00 0.00 0.00 23.12 20.56 2ctm s ALA 57 CO 0.04 -0.88 1.76 -1.00 0.00 0.00 0.00 175.76 175.68 2ctm h PRO 58 N 0.96 0.00 -2.78 0.00 0.13 -1.91 -3.38 132.00 125.01 2ctm h PRO 58 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 2ctm h PRO 58 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 2ctm h PRO 58 CO 0.56 0.43 -0.79 0.16 -0.23 0.00 0.00 178.00 178.12 2ctm s ASP 59 N -6.74 3.29 0.00 1.44 1.47 -1.26 -4.96 116.67 109.91 2ctm s ASP 59 Ca -0.02 -2.40 0.15 0.00 1.18 0.00 0.00 52.55 51.46 2ctm s ASP 59 Cb 0.13 -0.71 0.90 0.00 -0.34 0.00 0.00 42.92 42.90 2ctm s ASP 59 CO 0.72 -0.29 1.36 -0.81 0.68 0.00 0.00 175.17 176.83 2ctm n PRO 60 N 3.79 0.43 -0.05 2.11 -0.04 -1.26 -1.87 135.00 138.11 2ctm n PRO 60 Ca 0.10 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2ctm n PRO 60 Cb 0.36 -1.50 0.06 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 -1.06 2.25 -4.10 3.54 0.23 -1.26 -4.21 115.26 110.65 2ctm n ASN 61 Ca 0.11 -2.30 -0.24 0.00 -0.53 0.00 0.00 54.58 51.62 2ctm n ASN 61 Cb 0.07 -0.15 -0.16 0.00 -2.08 0.00 0.00 39.78 37.46 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 -0.06 2.26 -0.45 0.00 -7.23 -0.54 -3.83 120.40 110.56 2ctm s VAL 63 Ca -0.00 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 2ctm s VAL 63 Cb -0.09 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.97 2ctm s VAL 63 CO 0.01 0.22 0.34 -0.89 -0.31 0.00 0.00 175.10 174.46 2ctm s THR 64 N -0.95 4.91 -0.29 5.32 2.01 0.22 -1.62 115.64 125.23 2ctm s THR 64 Ca 0.13 -1.12 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 2ctm s THR 64 Cb -0.10 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2ctm s THR 64 CO 0.05 -0.52 0.41 -0.69 -0.69 0.00 0.00 174.62 173.17 2ctm s VAL 65 N 1.58 5.14 0.06 3.82 1.01 -0.88 -0.41 120.40 130.72 2ctm s VAL 65 Ca 0.04 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2ctm s VAL 65 Cb -0.23 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2ctm s VAL 65 CO 0.06 0.07 0.15 -0.89 0.00 0.00 0.00 175.10 174.48 2ctm s THR 66 N 2.14 4.99 0.00 3.92 2.01 0.11 -1.84 115.64 126.97 2ctm s THR 66 Ca 0.16 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2ctm s THR 66 Cb -0.16 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.94 2ctm s THR 66 CO 0.10 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2ctm n GLY 67 N 0.41 3.40 3.29 4.40 0.00 -1.02 -1.77 105.19 113.90 2ctm n GLY 67 Ca -0.07 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2ctm n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ctm n LEU 68 N 0.00 -3.02 0.11 0.99 7.99 -1.26 -0.71 117.00 121.10 2ctm n LEU 68 Ca 0.00 0.75 0.11 0.00 -0.01 0.00 0.00 56.01 56.86 2ctm n LEU 68 Cb 0.00 -0.88 0.46 0.00 -0.11 0.00 0.00 43.42 42.89 2ctm n LEU 68 CO 0.00 -4.37 0.83 -0.81 -1.51 0.00 0.00 177.39 171.53 2ctm n PRO 69 N 1.35 0.16 -0.00 3.23 -0.04 -1.26 -1.11 135.00 137.32 2ctm n PRO 69 Ca 0.10 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.92 2ctm n PRO 69 Cb 0.43 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.13 0.63 0.00 0.54 0.28 -1.26 -3.82 120.64 114.89 2ctm n GLU 70 Ca 0.02 0.20 -0.17 0.00 -0.16 0.00 0.00 57.16 57.05 2ctm n GLU 70 Cb 0.22 -1.76 -0.14 0.00 1.43 0.00 0.00 31.44 31.19 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 0.29 0.42 -1.84 2.35 -1.81 -3.36 115.58 111.63 2ctm h ASN 71 Ca -0.24 -0.62 -0.02 0.00 -0.55 0.00 0.00 56.30 54.87 2ctm h ASN 71 Cb 1.78 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 40.05 2ctm h ASN 71 CO 0.05 1.56 -0.25 0.58 -1.65 0.00 0.00 177.43 177.72 2ctm h VAL 72 N 0.05 0.49 -0.86 2.81 2.07 -1.30 -0.95 116.25 118.56 2ctm h VAL 72 Ca -0.36 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.37 2ctm h VAL 72 Cb 2.03 0.49 -0.13 0.00 -1.52 0.00 0.00 31.29 32.16 2ctm h VAL 72 CO 0.10 0.00 0.30 1.05 0.02 0.00 0.00 177.57 179.03 2ctm h GLU 73 N -0.63 0.30 0.20 1.57 4.11 -1.75 -0.77 114.58 117.60 2ctm h GLU 73 Ca -0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2ctm h GLU 73 Cb 0.51 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2ctm h GLU 73 CO 0.05 0.20 -0.10 0.93 0.07 0.00 0.00 179.01 180.16 2ctm h GLU 74 N 0.31 -0.26 -0.74 1.06 4.39 -1.62 -3.06 114.58 114.66 2ctm h GLU 74 Ca 0.53 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.41 2ctm h GLU 74 Cb 1.02 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.61 2ctm h GLU 74 CO -0.57 0.03 0.11 0.00 -1.16 0.00 0.00 179.01 177.42 2ctm h ALA 75 N 0.18 0.89 -0.04 3.43 0.00 0.14 -1.50 119.26 122.36 2ctm h ALA 75 Ca -0.03 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2ctm h ALA 75 Cb 0.41 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2ctm h ALA 75 CO 0.05 -0.38 -0.35 0.82 0.00 0.00 0.00 179.25 179.38 2ctm h ILE 76 N 0.19 0.25 -0.98 0.00 2.04 -1.14 -1.05 117.51 116.82 2ctm h ILE 76 Ca 0.41 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.61 2ctm h ILE 76 Cb 0.73 0.25 -0.16 0.00 -0.74 0.00 0.00 36.82 36.89 2ctm h ILE 76 CO -0.57 0.00 0.43 -0.78 0.00 0.00 0.00 178.15 177.23 2ctm h ASP 77 N -0.48 0.23 -0.26 1.72 3.58 -1.18 0.55 116.42 120.58 2ctm h ASP 77 Ca 0.07 0.23 -0.08 0.00 0.42 0.00 0.00 57.03 57.67 2ctm h ASP 77 Cb 0.59 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2ctm h ASP 77 CO -0.31 -0.27 -0.14 -0.74 -2.88 0.00 0.00 179.24 174.91 2ctm h HIS 78 N 0.15 0.63 0.75 0.28 2.76 -1.10 -1.64 115.15 116.98 2ctm h HIS 78 Ca 0.73 -0.16 -0.03 0.00 -2.20 0.00 0.00 60.37 58.70 2ctm h HIS 78 Cb 1.72 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 30.53 2ctm h HIS 78 CO -0.12 0.81 -0.47 0.82 -1.30 0.00 0.00 177.93 177.67 2ctm h ILE 79 N 0.28 0.00 -0.92 6.26 2.04 0.90 -2.46 117.51 123.60 2ctm h ILE 79 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2ctm h ILE 79 Cb 0.65 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 2ctm h ILE 79 CO 0.04 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.71 2ctm h LEU 80 N -1.15 0.83 -0.55 1.44 3.38 -1.19 -1.52 115.31 116.55 2ctm h LEU 80 Ca -0.10 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.00 2ctm h LEU 80 Cb 0.92 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2ctm h LEU 80 CO 0.09 0.47 0.10 -1.13 0.09 0.00 0.00 178.44 178.07 2ctm h ASN 81 N 0.91 -0.03 -0.04 -0.43 -1.24 -0.99 -2.43 115.58 111.33 2ctm h ASN 81 Ca 0.43 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.53 2ctm h ASN 81 Cb 0.44 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 2ctm h ASN 81 CO -0.20 0.01 -0.04 -0.07 -1.29 0.00 0.00 177.43 175.84 2ctm h LEU 82 N 0.23 0.10 -1.06 0.34 3.38 -0.87 -3.07 115.31 114.37 2ctm h LEU 82 Ca 0.28 -0.50 0.42 0.00 0.09 0.00 0.00 57.88 58.17 2ctm h LEU 82 Cb 0.41 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.96 2ctm h LEU 82 CO -0.38 0.58 0.59 -0.08 0.09 0.00 0.00 178.44 179.25 2ctm h GLU 83 N -0.38 0.04 -0.10 1.13 4.22 -0.86 0.74 114.58 119.37 2ctm h GLU 83 Ca 0.00 -0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 2ctm h GLU 83 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ctm h GLU 83 CO 0.01 0.02 -0.26 1.49 -2.18 0.00 0.00 179.01 178.10 2ctm h GLU 84 N 0.04 0.35 0.12 1.92 4.81 -1.42 -2.16 114.58 118.23 2ctm h GLU 84 Ca 0.84 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.84 2ctm h GLU 84 Cb 2.27 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.66 2ctm h GLU 84 CO -0.71 0.85 -0.16 1.49 -0.73 0.00 0.00 179.01 179.76 2ctm h GLU 85 N -0.10 -0.31 0.40 1.92 4.57 0.47 -0.28 114.58 121.26 2ctm h GLU 85 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2ctm h GLU 85 Cb 0.86 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 2ctm h GLU 85 CO 0.06 -0.20 -0.25 1.88 -1.18 0.00 0.00 179.01 179.31 2ctm h TYR 86 N -0.32 -0.67 -0.49 0.92 0.05 -1.00 -2.91 116.97 112.54 2ctm h TYR 86 Ca 0.02 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.89 2ctm h TYR 86 Cb 0.32 0.24 -0.09 0.00 1.01 0.00 0.00 36.73 38.21 2ctm h TYR 86 CO -0.15 -0.39 -0.13 -0.07 -1.05 0.00 0.00 178.16 176.37 2ctm h LEU 87 N -0.63 -0.47 -1.49 3.88 3.38 -1.29 0.97 115.31 119.67 2ctm h LEU 87 Ca -0.04 0.15 0.39 0.00 0.09 0.00 0.00 57.88 58.47 2ctm h LEU 87 Cb 0.52 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 2ctm h LEU 87 CO 0.04 -0.17 0.84 0.00 0.09 0.00 0.00 178.44 179.24 2ctm h ALA 88 N 1.49 2.71 -1.09 1.53 0.00 -0.84 0.48 119.26 123.54 2ctm h ALA 88 Ca 0.24 0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.56 2ctm h ALA 88 Cb 0.36 0.15 -0.35 0.00 0.00 0.00 0.00 17.79 17.95 2ctm h ALA 88 CO -0.51 -1.26 0.17 -3.47 0.00 0.00 0.00 179.25 174.19 2ctm n ASP 89 N -4.58 6.32 -0.07 0.00 2.03 0.32 -4.64 116.55 115.93 2ctm n ASP 89 Ca 0.34 -3.78 -0.22 0.00 0.52 0.00 0.00 54.79 51.65 2ctm n ASP 89 Cb 1.31 -0.74 -0.12 0.00 -0.72 0.00 0.00 41.12 40.84 2ctm n ASP 89 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2ctm n SER 90 N -0.65 1.97 -2.74 1.67 3.41 0.17 -4.88 113.62 112.57 2ctm n SER 90 Ca 0.50 0.32 -0.04 0.00 -0.26 0.00 0.00 58.87 59.39 2ctm n SER 90 Cb 0.59 -0.90 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2ctm n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctm n GLY 91 N 1.65 -0.86 3.56 5.00 0.00 -1.26 -5.09 105.19 108.19 2ctm n GLY 91 Ca -0.34 0.67 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 0.90 2.57 -0.47 1.61 0.04 -1.26 -4.94 135.00 133.45 2ctm s PRO 92 Ca 0.28 -0.12 -0.17 0.00 0.04 0.00 0.00 61.00 61.03 2ctm s PRO 92 Cb 0.03 -4.93 0.05 0.00 0.04 0.00 0.00 34.50 29.69 2ctm s PRO 92 CO -0.07 -3.25 0.49 -1.12 0.04 0.00 0.00 177.00 173.10 2ctm s SER 93 N 8.04 6.19 0.01 6.66 0.01 -1.26 -5.04 113.70 128.31 2ctm s SER 93 Ca 0.69 -0.96 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2ctm s SER 93 Cb -0.08 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 2ctm s SER 93 CO 0.03 -0.71 0.01 -0.94 0.41 0.00 0.00 173.24 172.05 2ctm s SER 94 N 2.36 0.13 0.00 2.44 1.04 -1.26 -5.30 113.70 113.11 2ctm s SER 94 Ca 0.11 -0.30 0.13 0.00 0.48 0.00 0.00 55.95 56.37 2ctm s SER 94 Cb -0.20 0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.14 2ctm s SER 94 CO 0.11 -0.24 0.93 0.61 0.98 0.00 0.00 173.24 175.63