#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 -0.33 0.12 1.61 0.01 -1.26 -5.18 113.70 108.67 2ctm s SER 2 Ca 0.00 0.63 0.07 0.00 1.31 0.00 0.00 55.95 57.96 2ctm s SER 2 Cb 0.00 0.70 -0.04 0.00 0.21 0.00 0.00 66.02 66.89 2ctm s SER 2 CO 0.00 -0.11 -0.10 -0.44 0.41 0.00 0.00 173.24 173.01 2ctm s SER 3 N 0.31 4.37 0.00 2.44 0.01 -1.26 -5.01 113.70 114.57 2ctm s SER 3 Ca 0.03 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2ctm s SER 3 Cb -0.05 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.37 2ctm s SER 3 CO -0.10 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2ctm n GLY 4 N 0.54 -0.71 3.56 3.44 0.00 -1.26 -4.93 105.19 105.83 2ctm n GLY 4 Ca -0.13 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2ctm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctm s SER 5 N 0.00 6.16 -0.07 1.61 0.15 -1.26 -4.98 113.70 115.30 2ctm s SER 5 Ca 0.00 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.59 2ctm s SER 5 Cb 0.00 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2ctm s SER 5 CO 0.00 -1.76 -0.17 -0.55 1.20 0.00 0.00 173.24 171.96 2ctm s SER 6 N 4.01 2.29 0.35 5.45 0.15 -1.26 -5.14 113.70 119.56 2ctm s SER 6 Ca 0.43 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.74 2ctm s SER 6 Cb -0.09 -0.98 -0.07 0.00 -1.71 0.00 0.00 66.02 63.17 2ctm s SER 6 CO 0.20 0.10 0.02 -0.83 1.20 0.00 0.00 173.24 173.93 2ctm s GLY 7 N 0.44 2.21 0.68 9.45 0.00 -1.26 -5.15 107.32 113.69 2ctm s GLY 7 Ca -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 44.72 42.39 2ctm s GLY 7 CO 0.05 -1.94 0.97 0.50 0.00 0.00 0.00 173.10 172.69 2ctm s ARG 8 N -3.79 2.21 0.26 2.90 1.81 -1.26 -5.11 118.95 115.96 2ctm s ARG 8 Ca 0.35 -0.40 -0.20 0.00 -1.72 0.00 0.00 55.73 53.75 2ctm s ARG 8 Cb 0.08 -2.23 0.02 0.00 -0.45 0.00 0.00 34.95 32.37 2ctm s ARG 8 CO 0.16 -1.17 0.68 0.96 -0.68 0.00 0.00 175.30 175.25 2ctm s ILE 9 N -3.16 0.00 -0.09 1.52 -5.25 -1.26 -5.07 121.20 107.90 2ctm s ILE 9 Ca 0.60 -0.90 -0.05 0.00 -0.99 0.00 0.00 60.65 59.31 2ctm s ILE 9 Cb -0.10 -1.87 -0.27 0.00 2.95 0.00 0.00 42.46 43.16 2ctm s ILE 9 CO 0.44 -0.01 0.51 0.58 -1.79 0.00 0.00 174.94 174.67 2ctm h VAL 10 N 2.03 0.76 0.00 8.37 2.07 -1.99 -3.50 116.25 123.98 2ctm h VAL 10 Ca -0.22 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 64.85 2ctm h VAL 10 Cb 1.26 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2ctm h VAL 10 CO 0.27 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.31 2ctm n GLY 11 N 1.89 -2.26 3.83 2.17 0.00 -1.26 -4.82 105.19 104.75 2ctm n GLY 11 Ca -0.27 -2.17 -0.37 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 -0.67 4.06 0.04 1.61 0.41 -1.26 -5.02 118.70 117.87 2ctm s GLU 12 Ca 0.00 0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 54.86 2ctm s GLU 12 Cb 0.00 -3.04 -0.16 0.00 -1.78 0.00 0.00 34.13 29.15 2ctm s GLU 12 CO 0.00 0.54 1.33 -0.07 -0.49 0.00 0.00 175.26 176.56 2ctm h LEU 13 N 3.92 -0.89 -2.40 1.80 4.07 -1.96 -1.43 115.31 118.42 2ctm h LEU 13 Ca -0.49 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2ctm h LEU 13 Cb 1.20 0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.17 2ctm h LEU 13 CO 0.65 -0.59 0.12 -0.33 -1.08 0.00 0.00 178.44 177.20 2ctm h GLU 14 N -1.14 0.00 0.14 1.13 4.39 -2.05 -0.78 114.58 116.26 2ctm h GLU 14 Ca -0.11 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.31 2ctm h GLU 14 Cb 0.80 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2ctm h GLU 14 CO 0.18 0.00 -1.20 1.96 -1.16 0.00 0.00 179.01 178.79 2ctm h GLN 15 N 0.00 0.57 -6.37 2.33 4.20 -1.86 -3.46 115.11 110.52 2ctm h GLN 15 Ca 0.00 -0.80 -0.58 0.00 0.06 0.00 0.00 58.65 57.34 2ctm h GLN 15 Cb 0.23 0.27 0.19 0.00 0.30 0.00 0.00 27.48 28.47 2ctm h GLN 15 CO 0.00 1.36 -0.75 -1.33 -0.67 0.00 0.00 178.83 177.44 2ctm n MET 16 N -3.85 0.24 -4.22 1.46 2.81 -0.30 -4.75 117.12 108.51 2ctm n MET 16 Ca -0.14 0.10 -0.19 0.00 -1.81 0.00 0.00 57.70 55.66 2ctm n MET 16 Cb 0.97 -1.48 -0.16 0.00 -0.71 0.00 0.00 33.22 31.84 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 -1.90 0.55 -0.21 2.03 -7.23 0.58 -4.81 120.40 109.42 2ctm s VAL 17 Ca 0.61 -0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 60.40 2ctm s VAL 17 Cb -0.40 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 2ctm s VAL 17 CO 0.62 0.20 0.47 -0.55 -0.31 0.00 0.00 175.10 175.53 2ctm s SER 18 N 0.44 6.50 0.33 4.85 0.15 -1.26 -2.56 113.70 122.14 2ctm s SER 18 Ca -0.06 0.60 0.10 0.00 0.70 0.00 0.00 55.95 57.29 2ctm s SER 18 Cb -0.10 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2ctm s SER 18 CO 0.00 -0.16 -0.09 -1.61 1.20 0.00 0.00 173.24 172.59 2ctm s GLU 19 N 1.60 1.87 -0.24 5.44 0.41 0.56 -4.96 118.70 123.38 2ctm s GLU 19 Ca 0.22 -1.83 -0.06 0.00 -0.41 0.00 0.00 54.97 52.88 2ctm s GLU 19 Cb -0.15 -1.79 -0.03 0.00 -1.78 0.00 0.00 34.13 30.38 2ctm s GLU 19 CO 0.09 0.19 0.04 -0.51 -0.49 0.00 0.00 175.26 174.59 2ctm s ASP 20 N -3.61 4.99 -0.22 -0.19 1.01 -1.26 -1.44 116.67 115.95 2ctm s ASP 20 Ca 0.32 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 53.33 2ctm s ASP 20 Cb -0.00 -1.88 -0.00 0.00 1.01 0.00 0.00 42.92 42.04 2ctm s ASP 20 CO 0.17 -0.01 -0.07 -0.69 0.21 0.00 0.00 175.17 174.78 2ctm s VAL 21 N 1.45 3.17 -0.54 -1.27 1.01 -0.32 -4.95 120.40 118.95 2ctm s VAL 21 Ca 0.05 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 2ctm s VAL 21 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2ctm s VAL 21 CO 0.02 0.43 1.82 -2.16 0.00 0.00 0.00 175.10 175.22 2ctm s PRO 22 N 1.45 2.83 -0.18 2.72 0.04 -1.26 -1.12 135.00 139.47 2ctm s PRO 22 Ca 0.06 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.91 2ctm s PRO 22 Cb -0.14 -4.33 0.02 0.00 0.04 0.00 0.00 34.50 30.10 2ctm s PRO 22 CO -0.05 -2.48 -0.19 -1.17 0.04 0.00 0.00 177.00 173.16 2ctm s LEU 23 N 8.39 2.18 0.43 -3.56 2.96 0.53 -4.96 118.68 124.65 2ctm s LEU 23 Ca 0.69 -0.69 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 2ctm s LEU 23 Cb -0.15 -1.45 -0.09 0.00 0.50 0.00 0.00 46.19 45.01 2ctm s LEU 23 CO 0.24 -0.02 1.43 -0.62 -1.32 0.00 0.00 176.35 176.05 2ctm s ASP 24 N 1.30 6.01 0.11 3.68 2.15 -1.26 -4.01 116.67 124.65 2ctm s ASP 24 Ca 0.04 2.92 0.17 0.00 0.43 0.00 0.00 52.55 56.11 2ctm s ASP 24 Cb -0.14 -2.65 0.73 0.00 -0.30 0.00 0.00 42.92 40.56 2ctm s ASP 24 CO -0.12 -1.09 1.53 0.00 -0.17 0.00 0.00 175.17 175.32 2ctm n HIS 25 N -0.04 0.34 0.42 -5.34 1.44 -1.26 -1.84 115.22 108.94 2ctm n HIS 25 Ca 0.04 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 2ctm n HIS 25 Cb 0.41 -0.72 0.45 0.00 0.12 0.00 0.00 29.99 30.26 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 0.00 -1.40 2.47 -1.97 -3.23 114.38 110.25 2ctm h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ctm h ARG 26 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2ctm h ARG 26 CO 0.00 0.00 -0.81 1.33 0.56 0.00 0.00 179.97 181.05 2ctm n VAL 27 N -2.53 0.00 0.00 2.04 0.24 -0.83 -4.74 118.33 112.52 2ctm n VAL 27 Ca 0.03 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2ctm n VAL 27 Cb 0.35 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.41 0.00 -0.08 6.34 8.25 -0.77 -0.51 115.22 127.04 2ctm n HIS 28 Ca -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 2ctm n HIS 28 Cb 0.02 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 -0.79 0.17 -1.00 -1.41 0.00 -1.88 0.12 119.26 114.47 2ctm h ALA 29 Ca 0.00 0.12 0.33 0.00 0.00 0.00 0.00 54.91 55.36 2ctm h ALA 29 Cb 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 2ctm h ALA 29 CO 0.00 -0.49 0.55 0.00 0.00 0.00 0.00 179.25 179.32 2ctm h ARG 30 N -0.03 0.27 0.02 0.00 -0.00 -1.09 0.17 114.38 113.72 2ctm h ARG 30 Ca 0.15 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.55 2ctm h ARG 30 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.17 2ctm h ARG 30 CO -0.34 0.18 -0.32 0.82 0.00 0.00 0.00 179.97 180.31 2ctm h ILE 31 N 0.28 1.62 -0.70 2.04 2.04 0.48 -3.35 117.51 119.91 2ctm h ILE 31 Ca 0.74 -2.36 0.14 0.00 1.00 0.00 0.00 64.86 64.38 2ctm h ILE 31 Cb 1.72 3.20 -0.13 0.00 -0.74 0.00 0.00 36.82 40.87 2ctm h ILE 31 CO -0.63 0.59 -0.22 0.40 0.00 0.00 0.00 178.15 178.29 2ctm h ILE 32 N -0.89 0.25 0.00 -0.67 2.04 0.76 -2.91 117.51 116.09 2ctm h ILE 32 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ctm h ILE 32 Cb 1.15 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 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 -1.47 2.31 0.25 5.37 0.00 -0.11 -2.03 105.19 109.51 2ctm n GLY 33 Ca 0.09 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.39 -0.57 4.61 0.00 -1.92 -1.33 119.26 119.66 2ctm h ALA 34 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2ctm h ALA 34 Cb 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 2ctm h ALA 34 CO 0.00 -0.61 0.17 -2.13 0.00 0.00 0.00 179.25 176.68 2ctm n ARG 35 N -4.27 3.06 -2.22 0.00 0.63 -1.26 -4.90 116.66 107.69 2ctm n ARG 35 Ca 0.00 -3.05 -0.08 0.00 -0.92 0.00 0.00 57.85 53.80 2ctm n ARG 35 Cb 0.16 -2.05 -0.00 0.00 0.45 0.00 0.00 32.46 31.02 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctm n GLY 36 N -0.51 0.10 0.11 5.14 0.00 -0.50 -4.94 105.19 104.59 2ctm n GLY 36 Ca 0.36 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2ctm n GLY 36 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ctm n LYS 37 N -1.76 0.68 0.09 1.61 2.85 -1.21 -3.26 118.16 117.17 2ctm n LYS 37 Ca -0.08 0.23 0.05 0.00 -1.05 0.00 0.00 58.31 57.46 2ctm n LYS 37 Cb 0.56 -1.70 0.49 0.00 -0.65 0.00 0.00 35.03 33.73 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ctm h ALA 38 N 0.60 1.79 0.06 0.58 0.00 -1.72 -2.37 119.26 118.21 2ctm h ALA 38 Ca -0.40 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 2ctm h ALA 38 Cb 2.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 2ctm h ALA 38 CO 0.06 0.19 -1.54 0.97 0.00 0.00 0.00 179.25 178.92 2ctm h ILE 39 N 0.36 1.10 -0.33 0.00 6.09 -1.19 -3.32 117.51 120.21 2ctm h ILE 39 Ca 0.10 -2.83 0.07 0.00 -1.37 0.00 0.00 64.86 60.82 2ctm h ILE 39 Cb -0.02 2.65 -0.06 0.00 0.47 0.00 0.00 36.82 39.85 2ctm h ILE 39 CO -0.02 0.75 -0.06 -0.09 -3.07 0.00 0.00 178.15 175.66 2ctm h ARG 40 N 0.04 0.02 -0.64 2.19 9.65 -1.41 -0.40 114.38 123.83 2ctm h ARG 40 Ca -0.23 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.67 2ctm h ARG 40 Cb 1.98 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.51 2ctm h ARG 40 CO 0.12 0.01 0.40 1.57 2.80 0.00 0.00 179.97 184.88 2ctm h LYS 41 N 0.02 0.78 -0.44 0.20 2.10 -1.65 -1.56 116.57 116.01 2ctm h LYS 41 Ca 0.16 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.78 2ctm h LYS 41 Cb 0.24 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.37 2ctm h LYS 41 CO -0.33 0.51 0.27 0.82 -2.00 0.00 0.00 179.45 178.72 2ctm h ILE 42 N 0.80 1.05 0.22 0.07 2.04 -1.44 0.12 117.51 120.38 2ctm h ILE 42 Ca 0.25 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2ctm h ILE 42 Cb -0.01 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2ctm h ILE 42 CO -0.09 0.10 -0.11 0.24 0.00 0.00 0.00 178.15 178.29 2ctm h MET 43 N 0.54 -0.29 -0.33 2.37 2.86 -0.70 -2.50 114.93 116.88 2ctm h MET 43 Ca 0.18 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2ctm h MET 43 Cb 0.00 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2ctm h MET 43 CO -0.08 -0.19 0.14 -0.44 1.06 0.00 0.00 176.91 177.41 2ctm h ASP 44 N -0.30 0.40 0.01 1.22 5.19 -1.11 1.55 116.42 123.39 2ctm h ASP 44 Ca -0.03 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2ctm h ASP 44 Cb 0.23 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 2ctm h ASP 44 CO 0.05 0.36 -0.28 -0.08 -3.12 0.00 0.00 179.24 176.17 2ctm h GLU 45 N 0.46 -0.42 -0.48 3.56 4.57 -0.31 -2.70 114.58 119.26 2ctm h GLU 45 Ca 0.12 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2ctm h GLU 45 Cb 0.07 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2ctm h GLU 45 CO -0.01 -0.28 0.00 1.19 -1.18 0.00 0.00 179.01 178.73 2ctm n PHE 46 N -5.39 0.63 -3.47 0.92 3.01 -1.09 -4.96 117.46 107.11 2ctm n PHE 46 Ca -0.05 -0.39 -0.25 0.00 1.01 0.00 0.00 57.45 57.77 2ctm n PHE 46 Cb 0.30 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.79 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ctm n LYS 47 N 1.24 -4.83 -3.77 -1.08 4.76 0.51 -4.86 118.16 110.13 2ctm n LYS 47 Ca 0.18 0.66 -0.23 0.00 -2.87 0.00 0.00 58.31 56.05 2ctm n LYS 47 Cb 0.54 -5.49 -0.03 0.00 -1.84 0.00 0.00 35.03 28.21 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 -3.15 2.25 -0.28 -0.18 -7.23 0.19 -4.90 120.40 107.10 2ctm s VAL 48 Ca 0.48 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2ctm s VAL 48 Cb -0.24 -2.70 0.08 0.00 0.56 0.00 0.00 36.38 34.08 2ctm s VAL 48 CO 0.59 0.00 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.73 2ctm s ASP 49 N -4.15 4.40 -0.47 4.85 2.15 -0.97 -4.56 116.67 117.92 2ctm s ASP 49 Ca 0.42 -1.61 -0.20 0.00 0.43 0.00 0.00 52.55 51.59 2ctm s ASP 49 Cb -0.01 -1.46 0.04 0.00 -0.30 0.00 0.00 42.92 41.19 2ctm s ASP 49 CO 0.25 -0.28 0.66 -0.63 -0.17 0.00 0.00 175.17 175.01 2ctm s ILE 50 N 1.13 4.80 -0.41 4.11 1.01 -1.26 -0.78 121.20 129.80 2ctm s ILE 50 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 2ctm s ILE 50 Cb -0.19 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.05 2ctm s ILE 50 CO -0.07 -0.71 0.27 -0.60 0.00 0.00 0.00 174.94 173.83 2ctm s ARG 51 N 2.86 2.88 0.64 2.79 6.06 -0.28 -4.95 118.95 128.96 2ctm s ARG 51 Ca 0.21 -1.12 -0.14 0.00 -2.50 0.00 0.00 55.73 52.18 2ctm s ARG 51 Cb -0.16 -3.89 -0.02 0.00 0.06 0.00 0.00 34.95 30.95 2ctm s ARG 51 CO 0.17 -0.79 1.06 -0.06 -2.50 0.00 0.00 175.30 173.18 2ctm s PHE 52 N 1.61 3.05 -0.08 5.12 0.40 -1.26 -0.77 117.98 126.05 2ctm s PHE 52 Ca 0.03 1.47 -0.30 0.00 -0.60 0.00 0.00 56.93 57.54 2ctm s PHE 52 Cb -0.20 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 2ctm s PHE 52 CO 0.08 -1.15 1.51 -1.25 0.70 0.00 0.00 175.22 175.10 2ctm s PRO 53 N -4.50 4.21 1.06 0.24 0.04 -1.25 -4.90 135.00 129.90 2ctm s PRO 53 Ca 0.61 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 63.51 2ctm s PRO 53 Cb -0.15 -3.87 0.22 0.00 0.04 0.00 0.00 34.50 30.74 2ctm s PRO 53 CO 0.45 -0.78 1.12 -0.65 0.04 0.00 0.00 177.00 177.18 2ctm s GLN 54 N 3.69 -0.10 0.24 4.56 -1.52 -1.26 -4.79 119.66 120.48 2ctm s GLN 54 Ca 0.67 0.22 0.15 0.00 -1.95 0.00 0.00 55.36 54.45 2ctm s GLN 54 Cb -0.30 -1.70 0.80 0.00 -0.22 0.00 0.00 33.01 31.59 2ctm s GLN 54 CO 0.25 -3.02 1.42 0.43 -0.25 0.00 0.00 175.29 174.12 2ctm n SER 55 N -4.33 0.38 -0.21 5.90 7.64 -1.26 -0.57 113.62 121.18 2ctm n SER 55 Ca 0.08 0.65 0.09 0.00 1.01 0.00 0.00 58.87 60.71 2ctm n SER 55 Cb 0.58 -0.69 0.16 0.00 -1.01 0.00 0.00 64.21 63.26 2ctm n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctm n GLY 56 N -1.34 4.81 3.82 0.23 0.00 -1.26 -5.04 105.19 106.40 2ctm n GLY 56 Ca -0.01 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.90 3.16 0.21 4.61 0.00 0.27 -4.97 121.76 122.14 2ctm s ALA 57 Ca 0.34 0.34 0.25 0.00 0.00 0.00 0.00 51.96 52.89 2ctm s ALA 57 Cb 0.29 -3.06 1.07 0.00 0.00 0.00 0.00 23.12 21.43 2ctm s ALA 57 CO 0.03 0.20 1.89 -1.00 0.00 0.00 0.00 175.76 176.88 2ctm h PRO 58 N 2.38 0.00 -2.99 0.00 0.13 -1.96 -3.37 132.00 126.18 2ctm h PRO 58 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2ctm h PRO 58 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2ctm h PRO 58 CO 0.63 0.19 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.35 2ctm s ASP 59 N -6.16 3.65 0.00 1.44 1.11 -1.26 -4.95 116.67 110.50 2ctm s ASP 59 Ca -0.00 -2.63 0.14 0.00 0.18 0.00 0.00 52.55 50.23 2ctm s ASP 59 Cb 0.11 -1.04 0.81 0.00 1.07 0.00 0.00 42.92 43.87 2ctm s ASP 59 CO 0.62 -0.27 1.23 -0.81 1.18 0.00 0.00 175.17 177.12 2ctm n PRO 60 N 3.53 0.49 0.00 8.23 -0.04 -1.26 -1.84 135.00 144.10 2ctm n PRO 60 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2ctm n PRO 60 Cb 0.35 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2ctm n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ctm n ASN 61 N -0.94 1.51 -4.16 3.54 5.03 -1.26 -4.59 115.26 114.39 2ctm n ASN 61 Ca 0.10 -1.74 -0.23 0.00 0.87 0.00 0.00 54.58 53.58 2ctm n ASN 61 Cb 0.05 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.66 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ctm s VAL 63 N -0.58 3.22 -0.44 0.00 -7.23 -0.28 -3.82 120.40 111.27 2ctm s VAL 63 Ca 0.05 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.45 2ctm s VAL 63 Cb -0.07 -2.62 0.11 0.00 0.56 0.00 0.00 36.38 34.36 2ctm s VAL 63 CO 0.00 -0.16 0.27 -0.89 -0.31 0.00 0.00 175.10 174.01 2ctm s THR 64 N -1.82 3.71 -0.13 5.32 2.01 0.05 -1.17 115.64 123.61 2ctm s THR 64 Ca 0.26 -1.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.16 2ctm s THR 64 Cb -0.08 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2ctm s THR 64 CO 0.16 -0.72 0.50 -0.69 -0.69 0.00 0.00 174.62 173.18 2ctm s VAL 65 N 1.25 5.17 0.26 3.82 1.01 -0.52 -1.12 120.40 130.26 2ctm s VAL 65 Ca 0.07 0.98 0.08 0.00 0.00 0.00 0.00 61.98 63.10 2ctm s VAL 65 Cb -0.24 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2ctm s VAL 65 CO -0.02 0.29 0.13 -0.89 0.00 0.00 0.00 175.10 174.60 2ctm s THR 66 N 0.84 4.09 0.00 3.92 2.01 0.04 -0.32 115.64 126.22 2ctm s THR 66 Ca 0.26 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.68 2ctm s THR 66 Cb -0.15 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2ctm s THR 66 CO 0.10 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2ctm n GLY 67 N -1.08 2.94 3.41 4.40 0.00 -1.06 -2.30 105.19 111.50 2ctm n GLY 67 Ca -0.07 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.31 0.20 0.99 7.99 -1.26 -0.31 117.00 124.30 2ctm n LEU 68 Ca 0.00 0.65 0.14 0.00 -0.01 0.00 0.00 56.01 56.79 2ctm n LEU 68 Cb 0.00 -1.11 0.59 0.00 -0.11 0.00 0.00 43.42 42.79 2ctm n LEU 68 CO 0.00 -3.52 0.92 1.55 -1.51 0.00 0.00 177.39 174.83 2ctm h PRO 69 N -0.07 0.00 0.00 3.23 0.13 -1.87 -0.06 132.00 133.36 2ctm h PRO 69 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2ctm h PRO 69 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 2ctm h PRO 69 CO 0.43 0.00 -1.27 1.05 -0.23 0.00 0.00 178.00 177.99 2ctm h GLU 70 N 0.00 0.00 0.09 0.86 4.11 -2.00 -3.30 114.58 114.34 2ctm h GLU 70 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 2ctm h GLU 70 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2ctm h GLU 70 CO 0.00 0.40 -2.03 0.09 0.07 0.00 0.00 179.01 177.54 2ctm n ASN 71 N -3.00 1.89 0.13 3.06 3.02 -1.03 -4.21 115.26 115.12 2ctm n ASN 71 Ca -0.08 0.19 -0.13 0.00 -0.03 0.00 0.00 54.58 54.53 2ctm n ASN 71 Cb 0.86 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.05 0.45 -0.82 2.41 2.07 -1.18 -2.06 116.25 117.17 2ctm h VAL 72 Ca -0.43 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.28 2ctm h VAL 72 Cb 2.02 0.45 -0.14 0.00 -1.52 0.00 0.00 31.29 32.09 2ctm h VAL 72 CO 0.06 0.00 0.01 1.05 0.02 0.00 0.00 177.57 178.71 2ctm h GLU 73 N -0.48 0.08 -0.30 1.57 4.11 -1.76 0.19 114.58 117.98 2ctm h GLU 73 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2ctm h GLU 73 Cb 0.49 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2ctm h GLU 73 CO -0.12 0.06 0.20 0.93 0.07 0.00 0.00 179.01 180.15 2ctm h GLU 74 N 0.09 0.40 0.49 1.06 4.39 -1.62 -2.66 114.58 116.73 2ctm h GLU 74 Ca 0.46 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 2ctm h GLU 74 Cb 0.83 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2ctm h GLU 74 CO -0.73 0.28 -0.40 0.00 -1.16 0.00 0.00 179.01 176.99 2ctm h ALA 75 N 1.10 -0.93 -0.64 3.43 0.00 -0.02 -2.34 119.26 119.85 2ctm h ALA 75 Ca 0.11 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2ctm h ALA 75 Cb -0.03 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 2ctm h ALA 75 CO -0.02 -1.05 -0.47 0.82 0.00 0.00 0.00 179.25 178.52 2ctm h ILE 76 N -0.88 0.06 -0.83 0.00 2.04 -1.02 0.39 117.51 117.26 2ctm h ILE 76 Ca -0.05 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.99 2ctm h ILE 76 Cb 0.76 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 2ctm h ILE 76 CO -0.02 0.00 0.33 -0.78 0.00 0.00 0.00 178.15 177.68 2ctm h ASP 77 N -0.21 0.26 0.47 1.72 1.82 -1.34 0.40 116.42 119.53 2ctm h ASP 77 Ca 0.18 0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.85 2ctm h ASP 77 Cb 0.55 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2ctm h ASP 77 CO -0.73 0.03 -0.49 -0.74 -1.61 0.00 0.00 179.24 175.69 2ctm h HIS 78 N 0.40 0.04 0.46 0.28 2.76 -0.05 -2.38 115.15 116.65 2ctm h HIS 78 Ca 0.49 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.63 2ctm h HIS 78 Cb 0.86 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2ctm h HIS 78 CO -0.17 0.52 -0.22 0.82 -1.30 0.00 0.00 177.93 177.58 2ctm h ILE 79 N 0.03 0.23 -0.65 6.26 2.04 0.35 -3.16 117.51 122.60 2ctm h ILE 79 Ca -0.00 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.39 2ctm h ILE 79 Cb 0.88 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2ctm h ILE 79 CO 0.07 0.05 0.44 -0.07 0.00 0.00 0.00 178.15 178.63 2ctm h LEU 80 N -1.08 0.45 -0.43 1.44 3.38 -1.06 -1.94 115.31 116.08 2ctm h LEU 80 Ca -0.06 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2ctm h LEU 80 Cb 0.55 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2ctm h LEU 80 CO 0.10 0.27 0.01 -1.13 0.09 0.00 0.00 178.44 177.79 2ctm h ASN 81 N 0.50 -0.15 -0.07 -0.43 -1.24 -1.43 -2.40 115.58 110.36 2ctm h ASN 81 Ca 0.30 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.40 2ctm h ASN 81 Cb 0.51 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 2ctm h ASN 81 CO -0.09 -0.04 0.02 -0.07 -1.29 0.00 0.00 177.43 175.95 2ctm h LEU 82 N 0.12 0.10 -0.91 0.34 3.38 -1.32 -3.13 115.31 113.89 2ctm h LEU 82 Ca 0.21 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2ctm h LEU 82 Cb 0.30 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 2ctm h LEU 82 CO -0.34 0.29 -0.37 1.21 0.09 0.00 0.00 178.44 179.32 2ctm n GLU 83 N -4.92 -0.23 -0.22 1.13 0.00 -0.93 0.98 120.64 116.46 2ctm n GLU 83 Ca -0.06 1.40 -0.01 0.00 0.00 0.00 0.00 57.16 58.48 2ctm n GLU 83 Cb 0.14 -2.07 0.10 0.00 0.00 0.00 0.00 31.44 29.60 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 0.58 0.70 5.31 4.81 -1.46 -0.20 114.58 124.31 2ctm h GLU 84 Ca 0.30 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2ctm h GLU 84 Cb 0.53 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2ctm h GLU 84 CO -0.90 0.38 -0.37 1.49 -0.73 0.00 0.00 179.01 178.89 2ctm h GLU 85 N 0.60 -0.94 0.24 1.92 4.57 0.66 -1.26 114.58 120.37 2ctm h GLU 85 Ca 0.29 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 2ctm h GLU 85 Cb 0.23 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2ctm h GLU 85 CO -0.21 -0.63 -0.25 1.88 -1.18 0.00 0.00 179.01 178.62 2ctm h TYR 86 N -0.98 -0.69 -0.92 0.92 0.05 -0.63 -2.78 116.97 111.93 2ctm h TYR 86 Ca -0.09 0.01 0.19 0.00 0.05 0.00 0.00 58.73 58.89 2ctm h TYR 86 Cb 0.77 0.27 -0.17 0.00 1.01 0.00 0.00 36.73 38.60 2ctm h TYR 86 CO -0.05 -0.33 -0.19 -0.07 -1.05 0.00 0.00 178.16 176.47 2ctm h LEU 87 N -0.49 -0.80 -0.83 3.88 3.38 -1.09 0.38 115.31 119.74 2ctm h LEU 87 Ca -0.03 0.27 0.34 0.00 0.09 0.00 0.00 57.88 58.55 2ctm h LEU 87 Cb 0.43 0.55 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2ctm h LEU 87 CO -0.04 -0.31 0.46 0.00 0.09 0.00 0.00 178.44 178.65 2ctm n ALA 88 N -3.45 0.85 -2.96 1.53 0.00 -0.48 -1.04 120.51 114.96 2ctm n ALA 88 Ca 0.15 0.79 -0.43 0.00 0.00 0.00 0.00 53.44 53.95 2ctm n ALA 88 Cb 0.50 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 19.15 2ctm n ALA 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ctm n ASP 89 N -4.72 6.31 -0.09 0.00 5.75 0.13 -4.63 116.55 119.31 2ctm n ASP 89 Ca 0.30 -3.38 -0.17 0.00 -0.01 0.00 0.00 54.79 51.53 2ctm n ASP 89 Cb 1.05 -1.29 -0.07 0.00 -1.03 0.00 0.00 41.12 39.78 2ctm n ASP 89 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2ctm n SER 90 N 1.55 1.67 0.00 -1.12 3.41 -0.21 -4.83 113.62 114.09 2ctm n SER 90 Ca 0.27 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2ctm n SER 90 Cb 0.33 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 2.10 -0.59 3.77 5.00 0.00 -1.26 -4.72 105.19 109.48 2ctm n GLY 91 Ca -0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 2.36 0.65 1.61 0.04 -1.26 -5.00 135.00 133.40 2ctm s PRO 92 Ca 0.00 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 2ctm s PRO 92 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2ctm s PRO 92 CO 0.00 -1.57 1.22 -1.54 0.04 0.00 0.00 177.00 175.15 2ctm s SER 93 N -3.25 4.76 0.39 6.66 1.04 -1.26 -5.00 113.70 117.05 2ctm s SER 93 Ca 0.62 2.40 0.01 0.00 0.48 0.00 0.00 55.95 59.46 2ctm s SER 93 Cb -0.18 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 2ctm s SER 93 CO 0.53 -1.88 0.60 -0.94 0.98 0.00 0.00 173.24 172.52 2ctm s SER 94 N -1.75 6.06 0.00 7.02 1.04 -1.26 -5.09 113.70 119.72 2ctm s SER 94 Ca 0.77 0.32 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2ctm s SER 94 Cb -0.31 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2ctm s SER 94 CO 0.39 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.73