#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 -0.42 0.57 1.61 0.15 -1.26 -5.16 113.70 109.19 2ctm s SER 2 Ca 0.00 0.69 -0.18 0.00 0.70 0.00 0.00 55.95 57.16 2ctm s SER 2 Cb 0.00 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.38 2ctm s SER 2 CO 0.00 -0.11 1.10 -0.55 1.20 0.00 0.00 173.24 174.87 2ctm s SER 3 N 1.16 5.69 0.00 5.45 0.15 -1.26 -5.00 113.70 119.89 2ctm s SER 3 Ca -0.07 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.60 2ctm s SER 3 Cb -0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2ctm s SER 3 CO -0.13 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 173.68 2ctm n GLY 4 N -0.29 -0.67 3.81 9.45 0.00 -1.26 -5.03 105.19 111.20 2ctm n GLY 4 Ca 0.10 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 0.10 -3.79 -3.88 1.61 7.64 -1.26 -4.96 113.62 109.08 2ctm n SER 5 Ca 0.00 -0.76 -0.09 0.00 1.01 0.00 0.00 58.87 59.03 2ctm n SER 5 Cb 0.00 -4.09 -0.05 0.00 -1.01 0.00 0.00 64.21 59.07 2ctm n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctm s SER 6 N -3.66 -0.15 -0.24 6.43 1.04 -1.26 -5.18 113.70 110.68 2ctm s SER 6 Ca 0.44 -0.72 -0.28 0.00 0.48 0.00 0.00 55.95 55.87 2ctm s SER 6 Cb -0.22 0.58 0.15 0.00 0.10 0.00 0.00 66.02 66.63 2ctm s SER 6 CO 0.81 -1.09 1.15 -0.83 0.98 0.00 0.00 173.24 174.26 2ctm s GLY 7 N -2.95 -0.07 0.31 7.32 0.00 -1.26 -5.18 107.32 105.50 2ctm s GLY 7 Ca 0.15 2.58 0.04 0.00 0.00 0.00 0.00 44.72 47.50 2ctm s GLY 7 CO 0.03 1.38 0.45 0.50 0.00 0.00 0.00 173.10 175.46 2ctm s ARG 8 N -0.60 3.30 0.18 2.90 1.81 -1.26 -5.12 118.95 120.16 2ctm s ARG 8 Ca 0.03 -0.76 -0.21 0.00 -1.72 0.00 0.00 55.73 53.08 2ctm s ARG 8 Cb -0.02 -2.80 0.05 0.00 -0.45 0.00 0.00 34.95 31.72 2ctm s ARG 8 CO -0.05 0.20 0.57 0.96 -0.68 0.00 0.00 175.30 176.30 2ctm s ILE 9 N -2.15 0.02 -0.25 1.52 -5.25 -1.26 -5.08 121.20 108.74 2ctm s ILE 9 Ca 0.40 -0.39 -0.06 0.00 -0.99 0.00 0.00 60.65 59.61 2ctm s ILE 9 Cb -0.09 -1.29 -0.14 0.00 2.95 0.00 0.00 42.46 43.89 2ctm s ILE 9 CO 0.32 -0.07 -0.28 0.52 -1.79 0.00 0.00 174.94 173.64 2ctm n VAL 10 N -0.36 1.41 0.00 8.37 0.31 -1.26 -5.04 118.33 121.76 2ctm n VAL 10 Ca -0.13 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2ctm n VAL 10 Cb 0.63 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2ctm n VAL 10 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ctm n GLY 11 N 1.84 -1.30 3.90 2.92 0.00 -1.26 -4.78 105.19 106.51 2ctm n GLY 11 Ca -0.47 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 2ctm n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctm s GLU 12 N -1.89 3.64 0.10 1.61 2.02 -1.26 -4.99 118.70 117.94 2ctm s GLU 12 Ca 0.00 0.13 -0.32 0.00 0.02 0.00 0.00 54.97 54.81 2ctm s GLU 12 Cb 0.00 -2.53 -0.13 0.00 0.10 0.00 0.00 34.13 31.57 2ctm s GLU 12 CO 0.00 0.07 1.60 -0.07 0.02 0.00 0.00 175.26 176.88 2ctm h LEU 13 N 1.22 -1.04 -0.97 1.80 4.07 -1.96 -1.82 115.31 116.61 2ctm h LEU 13 Ca -0.48 0.09 0.14 0.00 0.08 0.00 0.00 57.88 57.72 2ctm h LEU 13 Cb 1.19 0.35 -0.09 0.00 1.08 0.00 0.00 40.66 43.20 2ctm h LEU 13 CO 0.64 -0.52 0.58 -0.33 -1.08 0.00 0.00 178.44 177.73 2ctm h GLU 14 N -0.77 0.83 -0.69 1.13 4.39 -2.03 0.33 114.58 117.76 2ctm h GLU 14 Ca -0.03 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2ctm h GLU 14 Cb 0.70 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2ctm h GLU 14 CO -0.08 0.55 0.46 1.96 -1.16 0.00 0.00 179.01 180.74 2ctm h GLN 15 N 0.85 0.84 -6.72 2.33 1.08 -1.81 -3.43 115.11 108.24 2ctm h GLN 15 Ca 0.51 -0.05 -0.56 0.00 -1.45 0.00 0.00 58.65 57.09 2ctm h GLN 15 Cb 0.63 -0.19 0.18 0.00 -0.05 0.00 0.00 27.48 28.05 2ctm h GLN 15 CO -0.32 0.55 -0.21 -1.33 -0.95 0.00 0.00 178.83 176.58 2ctm n MET 16 N -4.45 0.47 -4.49 1.46 2.81 0.10 -4.76 117.12 108.26 2ctm n MET 16 Ca 0.08 0.20 -0.21 0.00 -1.81 0.00 0.00 57.70 55.97 2ctm n MET 16 Cb 0.10 -1.94 -0.14 0.00 -0.71 0.00 0.00 33.22 30.52 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 -1.80 1.02 -0.29 2.03 -7.23 0.41 -4.85 120.40 109.69 2ctm s VAL 17 Ca 0.69 -0.68 -0.15 0.00 -1.81 0.00 0.00 61.98 60.03 2ctm s VAL 17 Cb -0.37 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2ctm s VAL 17 CO 0.54 0.18 0.35 -0.94 -0.31 0.00 0.00 175.10 174.92 2ctm s SER 18 N -0.57 6.20 -0.02 4.85 1.04 -1.26 -2.75 113.70 121.20 2ctm s SER 18 Ca 0.04 0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.62 2ctm s SER 18 Cb -0.06 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2ctm s SER 18 CO 0.00 -0.22 -0.16 -1.61 0.98 0.00 0.00 173.24 172.23 2ctm s GLU 19 N 2.03 2.32 -0.42 4.02 2.02 -0.59 -4.97 118.70 123.12 2ctm s GLU 19 Ca 0.13 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 54.13 2ctm s GLU 19 Cb -0.16 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.81 2ctm s GLU 19 CO 0.11 0.59 0.49 0.16 0.02 0.00 0.00 175.26 176.63 2ctm s ASP 20 N -0.97 6.23 -0.28 -0.19 -4.77 -1.26 -1.60 116.67 113.84 2ctm s ASP 20 Ca 0.13 -0.54 -0.11 0.00 -3.30 0.00 0.00 52.55 48.73 2ctm s ASP 20 Cb -0.11 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 2ctm s ASP 20 CO 0.02 -0.62 0.18 -0.69 0.70 0.00 0.00 175.17 174.76 2ctm s VAL 21 N 2.33 5.17 -0.64 2.11 1.01 -0.44 -4.92 120.40 125.02 2ctm s VAL 21 Ca 0.15 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 2ctm s VAL 21 Cb -0.16 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2ctm s VAL 21 CO 0.15 0.24 1.87 -2.16 0.00 0.00 0.00 175.10 175.20 2ctm s PRO 22 N 1.74 2.62 -0.14 2.72 0.04 -1.26 -0.91 135.00 139.80 2ctm s PRO 22 Ca 0.07 0.52 0.02 0.00 0.04 0.00 0.00 61.00 61.65 2ctm s PRO 22 Cb -0.16 -4.46 0.01 0.00 0.04 0.00 0.00 34.50 29.93 2ctm s PRO 22 CO 0.10 -2.80 -0.20 -1.17 0.04 0.00 0.00 177.00 172.96 2ctm s LEU 23 N 9.19 2.03 0.46 -3.56 2.96 0.51 -4.98 118.68 125.30 2ctm s LEU 23 Ca 0.67 -0.58 -0.24 0.00 -0.22 0.00 0.00 54.13 53.76 2ctm s LEU 23 Cb -0.12 -1.38 -0.08 0.00 0.50 0.00 0.00 46.19 45.12 2ctm s LEU 23 CO 0.18 0.06 1.37 -0.62 -1.32 0.00 0.00 176.35 176.02 2ctm s ASP 24 N 0.91 5.85 0.05 3.68 -1.08 -1.26 -3.81 116.67 121.01 2ctm s ASP 24 Ca -0.05 2.79 0.20 0.00 -0.52 0.00 0.00 52.55 54.97 2ctm s ASP 24 Cb -0.15 -2.64 0.83 0.00 -1.46 0.00 0.00 42.92 39.50 2ctm s ASP 24 CO -0.03 -1.18 1.63 1.57 0.52 0.00 0.00 175.17 177.68 2ctm n HIS 25 N -0.33 0.17 0.65 -5.34 -0.00 -1.26 -2.41 115.22 106.70 2ctm n HIS 25 Ca 0.06 0.06 0.13 0.00 -0.00 0.00 0.00 57.72 57.97 2ctm n HIS 25 Cb 0.43 -0.60 0.46 0.00 -0.00 0.00 0.00 29.99 30.28 2ctm n HIS 25 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2ctm n ARG 26 N -1.65 0.18 0.00 1.57 1.74 -1.26 -3.31 116.66 113.93 2ctm n ARG 26 Ca 0.04 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2ctm n ARG 26 Cb 0.24 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2ctm n ARG 26 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2ctm n VAL 27 N -2.05 0.00 0.00 1.55 0.24 -1.01 -4.71 118.33 112.35 2ctm n VAL 27 Ca 0.05 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2ctm n VAL 27 Cb 0.35 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.94 0.00 -0.35 6.34 8.25 -1.04 -0.89 115.22 126.60 2ctm n HIS 28 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2ctm n HIS 28 Cb 0.01 -0.45 0.31 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.59 1.61 -0.69 -1.41 0.00 -1.88 0.59 119.26 115.89 2ctm h ALA 29 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2ctm h ALA 29 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2ctm h ALA 29 CO 0.00 -0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.52 2ctm h ARG 30 N 0.75 0.53 -0.00 0.00 -0.00 -1.72 0.65 114.38 114.58 2ctm h ARG 30 Ca 0.56 -0.03 -0.24 0.00 -0.50 0.00 0.00 59.98 59.77 2ctm h ARG 30 Cb 0.86 -0.12 0.01 0.00 0.00 0.00 0.00 29.97 30.72 2ctm h ARG 30 CO -0.38 0.35 -0.98 0.82 0.00 0.00 0.00 179.97 179.78 2ctm h ILE 31 N 0.55 1.35 0.00 2.04 2.04 0.84 -3.19 117.51 121.14 2ctm h ILE 31 Ca 0.35 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 63.78 2ctm h ILE 31 Cb 0.39 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2ctm h ILE 31 CO -0.29 0.71 -0.37 0.40 0.00 0.00 0.00 178.15 178.61 2ctm h ILE 32 N 0.31 1.08 0.00 -0.67 2.04 -0.21 -3.25 117.51 116.80 2ctm h ILE 32 Ca -0.10 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.42 2ctm h ILE 32 Cb 1.63 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2ctm h ILE 32 CO 0.18 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.30 2ctm n GLY 33 N -0.21 2.42 1.36 5.37 0.00 0.22 -3.09 105.19 111.25 2ctm n GLY 33 Ca -0.01 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 10.19 -1.39 0.22 4.61 0.00 -1.26 -4.65 120.51 128.22 2ctm n ALA 34 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.12 2ctm n ALA 34 Cb 0.00 -0.04 0.47 0.00 0.00 0.00 0.00 19.45 19.89 2ctm n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctm h ARG 35 N 0.00 0.00 0.00 0.00 2.47 -2.01 -3.37 114.38 111.48 2ctm h ARG 35 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2ctm h ARG 35 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2ctm h ARG 35 CO 0.06 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.00 2ctm n GLY 36 N -1.27 0.00 0.09 0.04 0.00 -1.26 -5.08 105.19 97.72 2ctm n GLY 36 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2ctm n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ctm n LYS 37 N 0.00 0.50 -0.49 1.61 4.81 -1.25 -3.15 118.16 120.19 2ctm n LYS 37 Ca 0.00 0.38 0.41 0.00 -0.87 0.00 0.00 58.31 58.23 2ctm n LYS 37 Cb 0.00 -1.58 0.72 0.00 0.02 0.00 0.00 35.03 34.20 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ctm h ALA 38 N -0.96 3.18 0.00 3.14 0.00 -1.77 1.47 119.26 124.31 2ctm h ALA 38 Ca -0.07 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2ctm h ALA 38 Cb 0.84 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2ctm h ALA 38 CO -0.04 -1.69 -1.34 0.97 0.00 0.00 0.00 179.25 177.14 2ctm h ILE 39 N 0.06 0.59 0.02 0.00 6.09 -1.66 -3.36 117.51 119.25 2ctm h ILE 39 Ca 0.78 -2.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.16 2ctm h ILE 39 Cb 2.81 2.12 0.00 0.00 0.47 0.00 0.00 36.82 42.22 2ctm h ILE 39 CO -0.17 0.33 -0.01 -0.09 -3.07 0.00 0.00 178.15 175.15 2ctm h ARG 40 N 0.00 -0.02 -0.98 2.19 9.65 0.21 -2.36 114.38 123.06 2ctm h ARG 40 Ca -0.15 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 58.88 2ctm h ARG 40 Cb 1.61 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 30.10 2ctm h ARG 40 CO 0.05 0.18 0.62 1.57 2.80 0.00 0.00 179.97 185.19 2ctm h LYS 41 N -0.22 0.81 -0.62 0.20 2.10 -1.49 -0.26 116.57 117.09 2ctm h LYS 41 Ca -0.00 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.52 2ctm h LYS 41 Cb 0.21 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 2ctm h LYS 41 CO 0.00 0.53 0.06 0.82 -2.00 0.00 0.00 179.45 178.87 2ctm h ILE 42 N 0.83 1.26 0.79 0.07 2.04 -1.65 -0.82 117.51 120.03 2ctm h ILE 42 Ca 0.52 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2ctm h ILE 42 Cb 0.73 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2ctm h ILE 42 CO -0.30 0.40 -0.38 0.24 0.00 0.00 0.00 178.15 178.11 2ctm h MET 43 N 0.96 -1.03 -0.62 2.37 2.86 -0.54 -2.86 114.93 116.07 2ctm h MET 43 Ca 0.18 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.93 2ctm h MET 43 Cb 0.49 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 2ctm h MET 43 CO 0.02 -0.68 0.41 -0.44 1.06 0.00 0.00 176.91 177.28 2ctm h ASP 44 N -1.11 0.62 -0.25 1.22 3.32 -1.36 0.74 116.42 119.61 2ctm h ASP 44 Ca -0.11 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.99 2ctm h ASP 44 Cb 0.82 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 2ctm h ASP 44 CO 0.18 0.43 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.69 2ctm h GLU 45 N 0.72 -0.35 -0.70 3.56 4.57 -0.93 -1.74 114.58 119.72 2ctm h GLU 45 Ca 0.25 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2ctm h GLU 45 Cb 0.09 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2ctm h GLU 45 CO -0.07 -0.24 0.00 1.19 -1.18 0.00 0.00 179.01 178.72 2ctm n PHE 46 N -5.42 0.94 -3.57 0.92 3.01 -1.05 -4.94 117.46 107.36 2ctm n PHE 46 Ca -0.02 -0.50 -0.26 0.00 1.01 0.00 0.00 57.45 57.68 2ctm n PHE 46 Cb 0.34 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 1.53 -5.39 -3.53 -1.08 4.76 0.22 -4.80 118.16 109.87 2ctm n LYS 47 Ca 0.23 0.68 -0.22 0.00 -2.87 0.00 0.00 58.31 56.13 2ctm n LYS 47 Cb 0.61 -5.56 -0.00 0.00 -1.84 0.00 0.00 35.03 28.24 2ctm n LYS 47 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2ctm n VAL 48 N -4.56 0.00 -3.73 -0.18 0.24 0.80 -4.80 118.33 106.09 2ctm n VAL 48 Ca -0.00 -1.86 -0.29 0.00 -2.04 0.00 0.00 64.34 60.14 2ctm n VAL 48 Cb 0.55 -0.06 -0.15 0.00 -1.47 0.00 0.00 33.84 32.71 2ctm n VAL 48 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ctm s ASP 49 N -3.71 3.83 -0.42 -1.34 -1.08 -0.63 -4.45 116.67 108.86 2ctm s ASP 49 Ca 0.25 -1.47 -0.19 0.00 -0.52 0.00 0.00 52.55 50.61 2ctm s ASP 49 Cb -0.02 -0.81 0.02 0.00 -1.46 0.00 0.00 42.92 40.65 2ctm s ASP 49 CO 0.16 -0.39 0.55 -0.63 0.52 0.00 0.00 175.17 175.38 2ctm s ILE 50 N 1.67 4.94 -0.35 4.11 1.01 -1.26 -0.37 121.20 130.95 2ctm s ILE 50 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 2ctm s ILE 50 Cb -0.17 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.21 2ctm s ILE 50 CO -0.22 -0.49 0.15 -0.60 0.00 0.00 0.00 174.94 173.78 2ctm s ARG 51 N 2.52 2.74 0.48 2.79 6.06 0.35 -4.95 118.95 128.94 2ctm s ARG 51 Ca 0.18 -1.12 -0.21 0.00 -2.50 0.00 0.00 55.73 52.09 2ctm s ARG 51 Cb -0.15 -3.58 -0.08 0.00 0.06 0.00 0.00 34.95 31.19 2ctm s ARG 51 CO 0.16 -0.67 1.04 -0.06 -2.50 0.00 0.00 175.30 173.28 2ctm s PHE 52 N 1.48 3.01 -0.04 5.12 0.08 -1.26 -1.63 117.98 124.73 2ctm s PHE 52 Ca 0.00 1.58 -0.30 0.00 0.12 0.00 0.00 56.93 58.33 2ctm s PHE 52 Cb -0.19 -3.09 -0.05 0.00 -0.57 0.00 0.00 43.02 39.12 2ctm s PHE 52 CO 0.05 -0.85 1.47 -1.25 -0.10 0.00 0.00 175.22 174.54 2ctm s PRO 53 N -3.15 4.24 0.77 0.24 0.04 -1.26 -4.96 135.00 130.92 2ctm s PRO 53 Ca 0.67 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 2ctm s PRO 53 Cb -0.17 -3.72 0.17 0.00 0.04 0.00 0.00 34.50 30.81 2ctm s PRO 53 CO 0.21 -0.69 1.05 1.04 0.04 0.00 0.00 177.00 178.65 2ctm n GLN 54 N 6.09 -0.83 -0.15 4.56 6.02 -1.26 -4.90 117.38 126.91 2ctm n GLN 54 Ca 0.15 -1.85 -0.03 0.00 -0.01 0.00 0.00 57.00 55.26 2ctm n GLN 54 Cb 0.43 -1.01 0.06 0.00 1.02 0.00 0.00 30.24 30.75 2ctm n GLN 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2ctm h SER 55 N -1.24 -0.04 -0.70 1.08 4.64 -2.02 -1.71 113.55 113.57 2ctm h SER 55 Ca -0.34 0.09 -0.40 0.00 -0.47 0.00 0.00 61.79 60.67 2ctm h SER 55 Cb 1.00 0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 2ctm h SER 55 CO 0.26 0.01 0.40 0.61 -0.87 0.00 0.00 176.83 177.24 2ctm n GLY 56 N -1.28 4.22 3.78 -0.77 0.00 -1.26 -4.92 105.19 104.96 2ctm n GLY 56 Ca 0.05 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.77 3.59 0.30 4.61 0.00 -0.64 -5.02 121.76 122.83 2ctm s ALA 57 Ca 0.43 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.58 2ctm s ALA 57 Cb 0.31 -1.56 0.46 0.00 0.00 0.00 0.00 23.12 22.32 2ctm s ALA 57 CO -0.09 0.70 1.69 -1.00 0.00 0.00 0.00 175.76 177.07 2ctm h PRO 58 N 3.94 0.14 -3.24 0.00 0.13 -1.91 -3.38 132.00 127.68 2ctm h PRO 58 Ca -0.49 -0.08 -0.61 0.00 -0.87 0.00 0.00 66.00 63.96 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 0.59 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.74 2ctm s ASP 59 N -6.89 3.83 0.00 1.44 1.11 -1.26 -4.96 116.67 109.95 2ctm s ASP 59 Ca -0.03 -2.39 0.15 0.00 0.18 0.00 0.00 52.55 50.46 2ctm s ASP 59 Cb 0.13 -1.06 0.84 0.00 1.07 0.00 0.00 42.92 43.90 2ctm s ASP 59 CO 0.76 -0.31 1.37 -0.81 1.18 0.00 0.00 175.17 177.37 2ctm n PRO 60 N 3.86 0.35 -0.03 8.23 -0.04 -1.26 -1.93 135.00 144.18 2ctm n PRO 60 Ca 0.06 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2ctm n PRO 60 Cb 0.36 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.14 1.95 -4.12 3.54 0.23 -1.26 -4.26 115.26 110.20 2ctm n ASN 61 Ca 0.09 -2.23 -0.23 0.00 -0.53 0.00 0.00 54.58 51.69 2ctm n ASN 61 Cb 0.09 -0.11 -0.15 0.00 -2.08 0.00 0.00 39.78 37.52 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ctm s VAL 63 N -0.33 3.18 -0.35 0.00 -7.23 -0.09 -3.98 120.40 111.60 2ctm s VAL 63 Ca 0.05 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.40 2ctm s VAL 63 Cb -0.06 -2.60 0.05 0.00 0.56 0.00 0.00 36.38 34.32 2ctm s VAL 63 CO -0.00 -0.18 0.12 -0.89 -0.31 0.00 0.00 175.10 173.83 2ctm s THR 64 N -1.87 3.73 -0.26 5.32 2.01 -0.65 -1.32 115.64 122.60 2ctm s THR 64 Ca 0.26 -1.23 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 2ctm s THR 64 Cb -0.08 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2ctm s THR 64 CO 0.16 -0.23 0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 2ctm s VAL 65 N 1.38 4.94 0.22 3.82 1.01 -0.63 -0.50 120.40 130.64 2ctm s VAL 65 Ca -0.01 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2ctm s VAL 65 Cb -0.20 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2ctm s VAL 65 CO 0.02 0.30 0.35 -0.89 0.00 0.00 0.00 175.10 174.88 2ctm s THR 66 N 1.55 5.27 0.00 3.92 2.01 0.51 -1.53 115.64 127.36 2ctm s THR 66 Ca 0.07 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2ctm s THR 66 Cb -0.15 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2ctm s THR 66 CO 0.07 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 2ctm n GLY 67 N -1.14 2.64 3.56 4.40 0.00 -1.11 -1.61 105.19 111.92 2ctm n GLY 67 Ca -0.08 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 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 2.34 0.20 0.99 7.99 -1.26 -0.44 117.00 126.82 2ctm n LEU 68 Ca 0.00 0.57 0.15 0.00 -0.01 0.00 0.00 56.01 56.72 2ctm n LEU 68 Cb 0.00 -1.34 0.60 0.00 -0.11 0.00 0.00 43.42 42.56 2ctm n LEU 68 CO 0.00 -2.53 0.93 1.55 -1.51 0.00 0.00 177.39 175.83 2ctm h PRO 69 N -0.64 0.00 0.00 3.23 0.13 -1.88 0.33 132.00 133.16 2ctm h PRO 69 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 2ctm h PRO 69 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2ctm h PRO 69 CO 0.43 0.00 -1.24 1.05 -0.23 0.00 0.00 178.00 178.01 2ctm h GLU 70 N 0.00 0.00 0.08 0.86 4.11 -2.00 -3.22 114.58 114.41 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 29.63 2ctm h GLU 70 CO 0.00 0.49 -2.07 0.09 0.07 0.00 0.00 179.01 177.58 2ctm n ASN 71 N -3.06 1.81 0.30 3.06 3.02 -1.03 -4.29 115.26 115.08 2ctm n ASN 71 Ca -0.08 0.16 -0.16 0.00 -0.03 0.00 0.00 54.58 54.47 2ctm n ASN 71 Cb 0.88 -0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.04 0.44 -0.98 2.41 2.07 -1.10 -2.24 116.25 116.89 2ctm h VAL 72 Ca -0.44 -0.10 0.28 0.00 0.82 0.00 0.00 66.70 67.25 2ctm h VAL 72 Cb 2.02 0.49 -0.18 0.00 -1.52 0.00 0.00 31.29 32.09 2ctm h VAL 72 CO 0.05 0.02 0.06 -1.84 0.02 0.00 0.00 177.57 175.87 2ctm n GLU 73 N -5.38 -0.08 -0.06 1.57 0.28 -1.21 0.60 120.64 116.35 2ctm n GLU 73 Ca -0.12 1.46 -0.12 0.00 -0.16 0.00 0.00 57.16 58.22 2ctm n GLU 73 Cb 0.32 -2.34 -0.05 0.00 1.43 0.00 0.00 31.44 30.79 2ctm n GLU 73 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2ctm h GLU 74 N 0.00 0.35 -0.54 3.44 5.08 -1.70 -3.10 114.58 118.12 2ctm h GLU 74 Ca 0.61 -0.12 0.08 0.00 -1.00 0.00 0.00 59.36 58.93 2ctm h GLU 74 Cb 1.29 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2ctm h GLU 74 CO -0.91 0.58 0.19 0.00 -1.00 0.00 0.00 179.01 177.87 2ctm h ALA 75 N 0.76 0.67 -0.44 3.43 0.00 0.77 -2.19 119.26 122.27 2ctm h ALA 75 Ca 0.05 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2ctm h ALA 75 Cb 0.43 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 2ctm h ALA 75 CO 0.01 -0.21 -0.09 0.82 0.00 0.00 0.00 179.25 179.78 2ctm h ILE 76 N 0.37 0.57 -0.48 0.00 2.04 -0.85 -0.83 117.51 118.34 2ctm h ILE 76 Ca 0.27 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 2ctm h ILE 76 Cb 0.30 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2ctm h ILE 76 CO -0.27 0.00 0.09 -0.78 0.00 0.00 0.00 178.15 177.19 2ctm h ASP 77 N 0.01 -0.00 -0.83 1.72 3.58 -1.33 -0.82 116.42 118.75 2ctm h ASP 77 Ca 0.21 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.76 2ctm h ASP 77 Cb 0.32 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 2ctm h ASP 77 CO -0.44 0.03 0.55 -0.74 -2.88 0.00 0.00 179.24 175.76 2ctm h HIS 78 N 0.23 1.04 0.78 0.28 2.76 -0.96 -0.31 115.15 118.97 2ctm h HIS 78 Ca 0.24 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2ctm h HIS 78 Cb 0.32 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 28.93 2ctm h HIS 78 CO -0.23 0.65 -0.37 0.82 -1.30 0.00 0.00 177.93 177.50 2ctm h ILE 79 N 1.12 0.16 -0.35 6.26 2.04 0.16 -2.63 117.51 124.27 2ctm h ILE 79 Ca 0.31 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 66.08 2ctm h ILE 79 Cb -0.11 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2ctm h ILE 79 CO -0.07 0.01 0.24 -0.07 0.00 0.00 0.00 178.15 178.26 2ctm h LEU 80 N -1.15 0.29 -0.10 1.44 3.38 -1.17 -2.06 115.31 115.95 2ctm h LEU 80 Ca -0.11 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2ctm h LEU 80 Cb 0.82 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2ctm h LEU 80 CO 0.18 0.20 -0.06 -1.13 0.09 0.00 0.00 178.44 177.72 2ctm h ASN 81 N 0.34 -0.19 -0.16 -0.43 -1.24 -0.85 -2.81 115.58 110.24 2ctm h ASN 81 Ca 0.15 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 2ctm h ASN 81 Cb 0.16 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2ctm h ASN 81 CO -0.03 -0.08 0.00 -0.07 -1.29 0.00 0.00 177.43 175.96 2ctm h LEU 82 N -0.06 0.28 -0.97 0.34 3.38 -1.07 -3.02 115.31 114.19 2ctm h LEU 82 Ca 0.06 -0.31 0.16 0.00 0.09 0.00 0.00 57.88 57.88 2ctm h LEU 82 Cb 0.15 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 40.66 2ctm h LEU 82 CO -0.14 0.52 -0.35 1.21 0.09 0.00 0.00 178.44 179.77 2ctm n GLU 83 N -4.74 -0.20 -0.01 1.13 2.13 -0.82 0.06 120.64 118.18 2ctm n GLU 83 Ca -0.05 1.50 -0.11 0.00 0.66 0.00 0.00 57.16 59.16 2ctm n GLU 83 Cb 0.22 -2.23 -0.05 0.00 0.27 0.00 0.00 31.44 29.64 2ctm n GLU 83 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2ctm h GLU 84 N 0.00 0.16 -0.83 5.31 4.39 -1.48 0.18 114.58 122.31 2ctm h GLU 84 Ca 0.37 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.24 2ctm h GLU 84 Cb 0.61 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 2ctm h GLU 84 CO -0.97 0.14 0.32 1.49 -1.16 0.00 0.00 179.01 178.83 2ctm h GLU 85 N 0.13 0.38 -0.01 2.33 4.57 -0.24 -0.12 114.58 121.63 2ctm h GLU 85 Ca 0.04 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 2ctm h GLU 85 Cb 0.02 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2ctm h GLU 85 CO -0.01 0.25 -0.61 1.88 -1.18 0.00 0.00 179.01 179.34 2ctm h TYR 86 N 0.40 0.63 -0.57 0.92 0.05 -0.76 -3.31 116.97 114.33 2ctm h TYR 86 Ca 0.49 -0.34 0.11 0.00 0.05 0.00 0.00 58.73 59.04 2ctm h TYR 86 Cb 0.85 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.42 2ctm h TYR 86 CO -0.17 1.15 0.01 -0.07 -1.05 0.00 0.00 178.16 178.04 2ctm h LEU 87 N -0.08 -0.22 -0.95 3.88 3.38 0.46 -0.59 115.31 121.20 2ctm h LEU 87 Ca -0.07 0.13 0.38 0.00 0.09 0.00 0.00 57.88 58.41 2ctm h LEU 87 Cb 1.32 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 42.16 2ctm h LEU 87 CO 0.12 -0.08 0.54 0.00 0.09 0.00 0.00 178.44 179.11 2ctm n ALA 88 N -2.72 0.96 -2.88 1.53 0.00 -0.16 -1.41 120.51 115.82 2ctm n ALA 88 Ca 0.08 0.84 -0.43 0.00 0.00 0.00 0.00 53.44 53.93 2ctm n ALA 88 Cb 0.32 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.89 2ctm n ALA 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ctm n ASP 89 N -4.81 5.96 -4.55 0.00 2.03 -0.23 -4.97 116.55 110.00 2ctm n ASP 89 Ca 0.33 -3.28 -0.41 0.00 0.52 0.00 0.00 54.79 51.95 2ctm n ASP 89 Cb 1.18 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ctm s SER 90 N -0.61 6.37 0.00 1.67 1.04 -0.50 -4.81 113.70 116.87 2ctm s SER 90 Ca 0.34 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2ctm s SER 90 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ctm s SER 90 CO 0.06 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.28 2ctm n GLY 91 N 6.22 0.92 3.76 7.32 0.00 -1.26 -5.11 105.19 117.04 2ctm n GLY 91 Ca 0.20 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.87 2.14 -0.31 1.61 0.04 -1.26 -5.04 135.00 130.31 2ctm s PRO 92 Ca 0.00 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2ctm s PRO 92 Cb 0.00 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.71 2ctm s PRO 92 CO 0.00 -1.72 0.01 0.45 0.04 0.00 0.00 177.00 175.78 2ctm s SER 93 N -3.39 4.89 0.45 6.66 0.15 -1.26 -5.09 113.70 116.11 2ctm s SER 93 Ca 0.61 -1.35 -0.23 0.00 0.70 0.00 0.00 55.95 55.69 2ctm s SER 93 Cb -0.17 -1.71 -0.11 0.00 -1.71 0.00 0.00 66.02 62.32 2ctm s SER 93 CO 0.56 -0.28 0.82 -1.20 1.20 0.00 0.00 173.24 174.34 2ctm n SER 94 N 4.60 0.36 -0.95 5.45 7.64 -1.26 -5.30 113.62 124.15 2ctm n SER 94 Ca -0.12 0.95 0.12 0.00 1.01 0.00 0.00 58.87 60.83 2ctm n SER 94 Cb 0.43 -1.27 0.10 0.00 -1.01 0.00 0.00 64.21 62.46 2ctm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64