#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctr n SER 2 N 0.00 7.42 -4.30 1.61 7.64 -1.26 -4.87 113.62 119.86 2ctr n SER 2 Ca 0.00 -3.79 -0.38 0.00 1.01 0.00 0.00 58.87 55.71 2ctr n SER 2 Cb 0.00 -0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 2ctr n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ctr n SER 3 N -0.85 -2.88 -0.09 6.43 3.41 -1.26 -4.38 113.62 113.99 2ctr n SER 3 Ca 0.60 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 2ctr n SER 3 Cb 0.64 -2.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.20 2ctr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctr n GLY 4 N -1.27 -0.50 0.41 5.00 0.00 -1.26 -4.93 105.19 102.63 2ctr n GLY 4 Ca 0.09 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 2ctr n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ctr h SER 5 N 0.00 -0.86 -3.11 1.61 0.87 -2.01 -3.41 113.55 106.64 2ctr h SER 5 Ca 0.00 0.03 -0.66 0.00 -1.23 0.00 0.00 61.79 59.93 2ctr h SER 5 Cb 0.00 0.22 -0.35 0.00 -0.44 0.00 0.00 62.40 61.84 2ctr h SER 5 CO 0.00 -0.61 -0.86 -0.44 -0.53 0.00 0.00 176.83 174.39 2ctr s SER 6 N -4.31 3.08 0.00 6.23 0.01 -1.26 -4.98 113.70 112.46 2ctr s SER 6 Ca -0.18 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2ctr s SER 6 Cb 0.03 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2ctr s SER 6 CO 0.62 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.89 2ctr n GLY 7 N 4.47 0.17 3.79 3.44 0.00 -1.26 -4.91 105.19 110.89 2ctr n GLY 7 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2ctr n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctr s SER 8 N -1.56 7.23 0.15 1.61 0.01 -1.26 -4.87 113.70 115.01 2ctr s SER 8 Ca 0.00 1.74 -0.30 0.00 1.31 0.00 0.00 55.95 58.69 2ctr s SER 8 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2ctr s SER 8 CO 0.00 -0.09 1.53 1.88 0.41 0.00 0.00 173.24 176.96 2ctr h TYR 9 N 3.02 -1.83 -0.99 2.43 0.05 -1.96 0.60 116.97 118.30 2ctr h TYR 9 Ca -0.47 0.12 0.35 0.00 0.05 0.00 0.00 58.73 58.78 2ctr h TYR 9 Cb 1.19 0.92 -0.11 0.00 1.01 0.00 0.00 36.73 39.74 2ctr h TYR 9 CO 0.62 -0.37 0.62 0.66 -1.05 0.00 0.00 178.16 178.64 2ctr n TYR 10 N -5.20 0.58 -0.03 4.88 4.01 -1.26 0.18 117.16 120.32 2ctr n TYR 10 Ca 0.01 0.58 -0.16 0.00 -0.16 0.00 0.00 57.90 58.18 2ctr n TYR 10 Cb 0.26 -0.99 -0.13 0.00 -0.31 0.00 0.00 39.34 38.17 2ctr n TYR 10 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2ctr h ASP 11 N 0.00 0.18 -0.94 7.72 3.58 -0.03 0.24 116.42 127.18 2ctr h ASP 11 Ca 0.65 -0.94 0.07 0.00 0.42 0.00 0.00 57.03 57.23 2ctr h ASP 11 Cb 2.05 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.98 2ctr h ASP 11 CO -0.38 1.11 0.59 0.40 -2.88 0.00 0.00 179.24 178.08 2ctr h ILE 12 N -0.71 1.06 0.21 2.25 2.04 0.24 -2.80 117.51 119.81 2ctr h ILE 12 Ca -0.05 -0.37 -0.35 0.00 1.00 0.00 0.00 64.86 65.09 2ctr h ILE 12 Cb 1.19 -0.11 0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2ctr h ILE 12 CO 0.06 0.20 -1.67 -0.07 0.00 0.00 0.00 178.15 176.66 2ctr h LEU 13 N 1.07 0.70 -0.01 1.44 3.38 -0.72 -3.47 115.31 117.71 2ctr h LEU 13 Ca 0.41 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2ctr h LEU 13 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2ctr h LEU 13 CO -0.18 1.77 0.00 0.61 0.09 0.00 0.00 178.44 180.73 2ctr n GLY 14 N 1.82 1.74 3.45 0.83 0.00 0.56 -4.70 105.19 108.89 2ctr n GLY 14 Ca -0.22 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2ctr n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctr s VAL 15 N -2.01 2.56 0.76 1.61 -7.23 0.46 -5.01 120.40 111.55 2ctr s VAL 15 Ca 0.00 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 2ctr s VAL 15 Cb 0.00 -2.20 0.05 0.00 0.56 0.00 0.00 36.38 34.79 2ctr s VAL 15 CO 0.00 -0.03 1.09 -2.16 -0.31 0.00 0.00 175.10 173.69 2ctr s PRO 16 N -2.47 2.30 0.52 4.82 0.04 -1.26 -4.50 135.00 134.44 2ctr s PRO 16 Ca 0.19 1.18 0.18 0.00 0.04 0.00 0.00 61.00 62.59 2ctr s PRO 16 Cb -0.09 -1.90 1.31 0.00 0.04 0.00 0.00 34.50 33.86 2ctr s PRO 16 CO 0.10 -1.61 2.15 0.87 0.04 0.00 0.00 177.00 178.55 2ctr h LYS 17 N -1.04 0.00 -0.63 4.56 6.56 -2.00 -0.13 116.57 123.89 2ctr h LYS 17 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2ctr h LYS 17 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2ctr h LYS 17 CO 0.52 0.01 0.00 0.45 -2.06 0.00 0.00 179.45 178.37 2ctr n SER 18 N -4.44 5.23 -4.77 0.86 2.88 -1.26 -4.99 113.62 107.14 2ctr n SER 18 Ca -0.03 -2.67 -0.40 0.00 -1.33 0.00 0.00 58.87 54.44 2ctr n SER 18 Cb 0.10 -0.63 0.01 0.00 -0.75 0.00 0.00 64.21 62.94 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ctr s ALA 19 N -2.27 3.38 0.51 -1.46 0.00 -0.06 -4.99 121.76 116.86 2ctr s ALA 19 Ca 0.53 1.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.95 2ctr s ALA 19 Cb 0.37 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2ctr s ALA 19 CO 0.21 -1.17 0.85 0.45 0.00 0.00 0.00 175.76 176.10 2ctr s SER 20 N -0.33 6.31 0.25 0.00 0.15 -1.26 -4.86 113.70 113.96 2ctr s SER 20 Ca 0.58 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 58.29 2ctr s SER 20 Cb -0.46 -2.32 0.48 0.00 -1.71 0.00 0.00 66.02 62.01 2ctr s SER 20 CO 0.60 -0.63 1.69 -0.08 1.20 0.00 0.00 173.24 176.02 2ctr h GLU 21 N 0.26 0.27 0.00 5.44 4.81 -1.94 0.50 114.58 123.92 2ctr h GLU 21 Ca -0.46 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2ctr h GLU 21 Cb 1.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2ctr h GLU 21 CO 0.62 0.18 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.79 2ctr h ARG 22 N 0.28 0.00 0.02 1.92 2.43 -1.95 -1.84 114.38 115.24 2ctr h ARG 22 Ca 0.42 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.38 2ctr h ARG 22 Cb 0.73 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2ctr h ARG 22 CO -0.51 0.20 -0.95 1.96 -1.51 0.00 0.00 179.97 179.17 2ctr h GLN 23 N 0.00 0.24 0.32 0.20 1.08 -0.47 -2.76 115.11 113.72 2ctr h GLN 23 Ca -0.00 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 2ctr h GLN 23 Cb 0.39 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2ctr h GLN 23 CO 0.03 1.03 -0.15 0.82 -0.95 0.00 0.00 178.83 179.60 2ctr h ILE 24 N 0.13 0.43 -0.79 2.54 2.04 -0.44 -1.62 117.51 119.79 2ctr h ILE 24 Ca -0.06 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.12 2ctr h ILE 24 Cb 1.60 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 2ctr h ILE 24 CO 0.15 0.10 0.42 0.07 0.00 0.00 0.00 178.15 178.89 2ctr h LYS 25 N -0.98 0.67 0.21 2.37 2.10 -1.48 0.23 116.57 119.68 2ctr h LYS 25 Ca -0.04 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 2ctr h LYS 25 Cb 0.49 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2ctr h LYS 25 CO 0.07 0.44 -0.10 0.87 -2.00 0.00 0.00 179.45 178.73 2ctr h LYS 26 N 0.69 -0.28 -0.68 0.07 1.57 -1.55 0.23 116.57 116.61 2ctr h LYS 26 Ca 0.40 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2ctr h LYS 26 Cb 0.43 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2ctr h LYS 26 CO -0.28 -0.06 0.45 0.00 -0.57 0.00 0.00 179.45 178.98 2ctr h ALA 27 N 0.31 1.54 -0.02 3.86 0.00 -0.78 -2.78 119.26 121.38 2ctr h ALA 27 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ctr h ALA 27 Cb 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ctr h ALA 27 CO 0.05 0.42 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 2ctr h PHE 28 N 0.90 0.09 -0.31 0.00 3.57 -0.37 -3.12 116.94 117.69 2ctr h PHE 28 Ca 0.25 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.76 2ctr h PHE 28 Cb -0.07 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 2ctr h PHE 28 CO -0.00 0.61 -0.38 0.45 -2.23 0.00 0.00 178.31 176.77 2ctr h HIS 29 N -0.47 -1.16 -0.90 0.41 3.86 -0.29 0.23 115.15 116.82 2ctr h HIS 29 Ca 0.00 0.06 0.24 0.00 -1.16 0.00 0.00 60.37 59.51 2ctr h HIS 29 Cb 0.61 0.55 -0.13 0.00 1.06 0.00 0.00 27.41 29.49 2ctr h HIS 29 CO 0.12 -0.32 0.37 1.57 0.86 0.00 0.00 177.93 180.53 2ctr h LYS 30 N -0.24 0.33 0.64 2.45 2.10 -1.61 -1.99 116.57 118.25 2ctr h LYS 30 Ca 0.05 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 2ctr h LYS 30 Cb 0.39 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.65 2ctr h LYS 30 CO -0.42 0.22 -0.31 -0.07 -2.00 0.00 0.00 179.45 176.87 2ctr h LEU 31 N 0.34 -0.73 -1.44 7.07 3.38 -0.86 -2.73 115.31 120.34 2ctr h LEU 31 Ca 0.58 0.03 0.48 0.00 0.09 0.00 0.00 57.88 59.05 2ctr h LEU 31 Cb 1.14 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.96 2ctr h LEU 31 CO -0.57 -0.47 0.96 0.00 0.09 0.00 0.00 178.44 178.45 2ctr n ALA 32 N -2.50 1.41 -0.09 1.53 0.00 0.57 0.22 120.51 121.65 2ctr n ALA 32 Ca -0.11 0.78 -0.14 0.00 0.00 0.00 0.00 53.44 53.98 2ctr n ALA 32 Cb 0.34 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2ctr n ALA 32 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2ctr h MET 33 N 0.00 0.82 0.00 0.00 2.86 -1.19 1.37 114.93 118.78 2ctr h MET 33 Ca 0.85 -0.47 -0.06 0.00 -2.06 0.00 0.00 59.70 57.96 2ctr h MET 33 Cb 2.90 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 34.59 2ctr h MET 33 CO -0.35 1.10 -0.30 -0.22 1.06 0.00 0.00 176.91 178.20 2ctr h LYS 34 N 0.59 0.00 0.00 1.72 3.64 0.30 -3.02 116.57 119.81 2ctr h LYS 34 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2ctr h LYS 34 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2ctr h LYS 34 CO 0.10 0.30 -0.25 0.66 -2.27 0.00 0.00 179.45 177.99 2ctr n TYR 35 N -3.71 0.00 -2.01 1.91 4.02 -0.36 -4.90 117.16 112.11 2ctr n TYR 35 Ca -0.01 -1.12 -0.42 0.00 -0.01 0.00 0.00 57.90 56.34 2ctr n TYR 35 Cb 0.41 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 2ctr n TYR 35 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2ctr s HIS 36 N -2.76 2.51 -2.00 -0.72 2.46 0.47 -4.29 115.29 110.96 2ctr s HIS 36 Ca 0.33 0.45 0.14 0.00 0.47 0.00 0.00 55.06 56.45 2ctr s HIS 36 Cb 0.30 -3.88 0.85 0.00 -0.13 0.00 0.00 32.58 29.73 2ctr s HIS 36 CO -0.02 -3.49 1.27 -0.35 -2.47 0.00 0.00 174.74 169.69 2ctr n PRO 37 N 5.62 0.49 -0.10 2.88 -0.04 -1.26 -0.10 135.00 142.49 2ctr n PRO 37 Ca 0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 2ctr n PRO 37 Cb 0.41 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 2ctr n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ctr n ASP 38 N -0.96 2.20 0.01 3.54 2.03 -1.26 -4.67 116.55 117.44 2ctr n ASP 38 Ca 0.11 -0.01 -0.16 0.00 0.52 0.00 0.00 54.79 55.24 2ctr n ASP 38 Cb 0.05 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 39.91 2ctr n ASP 38 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ctr h LYS 39 N -0.20 0.18 -6.70 -0.67 1.79 -1.86 -3.44 116.57 105.66 2ctr h LYS 39 Ca -0.48 -0.30 -0.56 0.00 -2.18 0.00 0.00 60.65 57.13 2ctr h LYS 39 Cb 1.64 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 32.34 2ctr h LYS 39 CO -0.14 0.96 0.94 1.21 -1.08 0.00 0.00 179.45 181.34 2ctr s ASN 40 N -6.72 6.62 -0.08 0.86 3.84 0.86 -4.90 114.94 115.43 2ctr s ASN 40 Ca -0.14 0.49 -0.02 0.00 0.21 0.00 0.00 52.86 53.40 2ctr s ASN 40 Cb 0.07 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.18 2ctr s ASN 40 CO 0.80 -1.26 2.52 0.29 -2.79 0.00 0.00 177.10 176.66 2ctr n LYS 41 N 7.86 1.50 -4.33 0.43 4.01 -1.26 -4.69 118.16 121.68 2ctr n LYS 41 Ca 0.12 -0.67 -0.19 0.00 -0.51 0.00 0.00 58.31 57.06 2ctr n LYS 41 Cb 0.49 -1.45 -0.14 0.00 -0.51 0.00 0.00 35.03 33.42 2ctr n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2ctr s SER 42 N 1.62 1.35 0.04 4.39 0.01 -1.26 -5.06 113.70 114.78 2ctr s SER 42 Ca 0.28 -0.36 -0.20 0.00 1.31 0.00 0.00 55.95 56.97 2ctr s SER 42 Cb 0.15 -0.09 -0.14 0.00 0.21 0.00 0.00 66.02 66.14 2ctr s SER 42 CO -0.02 0.03 1.34 1.55 0.41 0.00 0.00 173.24 176.56 2ctr h PRO 43 N 5.25 0.35 -0.66 12.44 0.13 -2.01 -3.24 132.00 144.26 2ctr h PRO 43 Ca -0.35 -0.19 0.13 0.00 -0.87 0.00 0.00 66.00 64.73 2ctr h PRO 43 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2ctr h PRO 43 CO 0.46 0.74 0.12 -0.44 -0.23 0.00 0.00 178.00 178.64 2ctr h ASP 44 N -0.02 -0.05 -0.84 1.44 5.19 -1.98 -1.06 116.42 119.09 2ctr h ASP 44 Ca 0.02 0.13 0.20 0.00 -0.62 0.00 0.00 57.03 56.76 2ctr h ASP 44 Cb 0.67 0.20 -0.15 0.00 0.18 0.00 0.00 39.33 40.22 2ctr h ASP 44 CO 0.04 -0.04 -0.05 0.00 -3.12 0.00 0.00 179.24 176.07 2ctr h ALA 45 N 1.55 0.81 -0.84 3.45 0.00 -1.90 0.30 119.26 122.63 2ctr h ALA 45 Ca 0.35 0.29 0.21 0.00 0.00 0.00 0.00 54.91 55.77 2ctr h ALA 45 Cb 0.57 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 2ctr h ALA 45 CO -0.47 -0.45 0.19 1.49 0.00 0.00 0.00 179.25 180.00 2ctr h GLU 46 N 0.05 0.20 -0.30 0.00 4.81 -1.31 0.12 114.58 118.15 2ctr h GLU 46 Ca 0.46 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.61 2ctr h GLU 46 Cb 0.82 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2ctr h GLU 46 CO -0.79 0.13 -0.07 0.00 -0.73 0.00 0.00 179.01 177.55 2ctr h ALA 47 N 1.75 0.41 0.30 2.92 0.00 -0.49 -2.83 119.26 121.30 2ctr h ALA 47 Ca 0.51 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2ctr h ALA 47 Cb 0.98 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2ctr h ALA 47 CO -0.64 0.23 -0.41 0.87 0.00 0.00 0.00 179.25 179.30 2ctr h LYS 48 N 0.34 -0.73 -1.00 0.00 1.79 -0.22 -1.99 116.57 114.75 2ctr h LYS 48 Ca 0.08 0.05 0.20 0.00 -2.18 0.00 0.00 60.65 58.80 2ctr h LYS 48 Cb 0.55 0.17 -0.11 0.00 -1.58 0.00 0.00 32.23 31.26 2ctr h LYS 48 CO 0.03 -0.49 0.61 0.35 -1.08 0.00 0.00 179.45 178.87 2ctr h PHE 49 N -0.76 1.02 -0.29 -1.35 3.57 -1.13 0.38 116.94 118.38 2ctr h PHE 49 Ca -0.01 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2ctr h PHE 49 Cb 0.71 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2ctr h PHE 49 CO -0.28 0.21 0.44 -0.09 -2.23 0.00 0.00 178.31 176.36 2ctr h ARG 50 N 0.71 0.00 0.00 1.11 9.65 -1.09 0.23 114.38 124.99 2ctr h ARG 50 Ca 0.58 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 59.14 2ctr h ARG 50 Cb 0.97 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.50 2ctr h ARG 50 CO -0.38 0.00 -2.14 0.39 2.80 0.00 0.00 179.97 180.65 2ctr n GLU 51 N -3.42 0.67 -0.04 0.20 1.02 0.13 -3.91 120.64 115.28 2ctr n GLU 51 Ca 0.05 0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 2ctr n GLU 51 Cb 0.57 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 2ctr n GLU 51 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2ctr h ILE 52 N 0.00 1.41 0.34 -3.67 2.04 -0.06 -2.94 117.51 114.63 2ctr h ILE 52 Ca -0.43 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 2ctr h ILE 52 Cb 2.08 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.34 2ctr h ILE 52 CO 0.04 0.40 -0.17 0.00 0.00 0.00 0.00 178.15 178.43 2ctr h ALA 53 N 0.50 -1.11 -0.99 1.87 0.00 -1.06 -2.51 119.26 115.95 2ctr h ALA 53 Ca 0.00 -0.10 0.35 0.00 0.00 0.00 0.00 54.91 55.16 2ctr h ALA 53 Cb 0.72 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.51 2ctr h ALA 53 CO 0.03 -1.08 0.36 1.49 0.00 0.00 0.00 179.25 180.05 2ctr h GLU 54 N -0.47 0.05 -0.44 0.00 4.57 -1.71 0.82 114.58 117.40 2ctr h GLU 54 Ca -0.05 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2ctr h GLU 54 Cb 0.35 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2ctr h GLU 54 CO 0.08 0.03 0.24 0.00 -1.18 0.00 0.00 179.01 178.17 2ctr h ALA 55 N 1.97 0.56 0.13 2.92 0.00 -1.35 -3.00 119.26 120.48 2ctr h ALA 55 Ca 0.74 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.65 2ctr h ALA 55 Cb 1.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2ctr h ALA 55 CO -0.80 -0.11 -0.06 -0.92 0.00 0.00 0.00 179.25 177.37 2ctr h TYR 56 N 0.47 -0.16 -0.72 0.00 3.20 0.95 -3.00 116.97 117.71 2ctr h TYR 56 Ca 0.19 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.32 2ctr h TYR 56 Cb 0.07 0.05 -0.13 0.00 1.54 0.00 0.00 36.73 38.26 2ctr h TYR 56 CO -0.09 0.31 0.26 0.39 -1.64 0.00 0.00 178.16 177.39 2ctr n GLU 57 N -4.91 -0.05 -0.03 1.82 -0.58 0.47 0.23 120.64 117.59 2ctr n GLU 57 Ca -0.08 1.03 -0.15 0.00 -0.42 0.00 0.00 57.16 57.54 2ctr n GLU 57 Cb 0.27 -1.77 -0.11 0.00 -0.57 0.00 0.00 31.44 29.27 2ctr n GLU 57 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2ctr h THR 58 N 0.00 1.52 -0.15 2.62 2.02 -1.55 -3.17 112.91 114.20 2ctr h THR 58 Ca 0.55 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.93 2ctr h THR 58 Cb 1.37 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2ctr h THR 58 CO -0.60 0.49 0.00 0.18 0.37 0.00 0.00 175.52 175.96 2ctr n LEU 59 N -4.57 0.99 -0.07 2.58 4.77 0.37 -0.26 117.00 120.82 2ctr n LEU 59 Ca -0.09 -0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 55.34 2ctr n LEU 59 Cb 0.45 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2ctr n LEU 59 CO 0.38 0.23 -0.36 -1.54 -1.33 0.00 0.00 177.39 174.77 2ctr n SER 60 N -0.02 1.76 -3.31 -1.43 3.41 0.64 -4.81 113.62 109.86 2ctr n SER 60 Ca 0.05 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 59.04 2ctr n SER 60 Cb 0.17 -0.85 0.19 0.00 -0.26 0.00 0.00 64.21 63.46 2ctr n SER 60 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ctr n ASP 61 N -4.54 -1.90 -0.03 4.04 2.03 -1.24 -4.95 116.55 109.96 2ctr n ASP 61 Ca -0.07 -1.01 -0.02 0.00 0.52 0.00 0.00 54.79 54.21 2ctr n ASP 61 Cb 0.27 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 2ctr n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ctr n ALA 62 N -4.47 0.22 -0.28 -1.67 0.00 -1.26 -3.56 120.51 109.49 2ctr n ALA 62 Ca -0.16 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.03 2ctr n ALA 62 Cb 0.45 0.01 0.16 0.00 0.00 0.00 0.00 19.45 20.07 2ctr n ALA 62 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ctr h ASN 63 N -0.44 0.63 0.50 0.00 2.35 -1.96 0.33 115.58 117.00 2ctr h ASN 63 Ca 0.00 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2ctr h ASN 63 Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2ctr h ASN 63 CO 0.00 0.36 -0.32 0.03 -1.65 0.00 0.00 177.43 175.85 2ctr h ARG 64 N 0.75 -0.76 -0.36 0.81 3.08 -1.80 -1.38 114.38 114.72 2ctr h ARG 64 Ca 0.39 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 2ctr h ARG 64 Cb 0.36 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2ctr h ARG 64 CO -0.25 -0.51 0.06 -0.09 -1.07 0.00 0.00 179.97 178.12 2ctr h ARG 65 N -0.79 0.54 -0.88 0.04 1.12 -0.24 -2.07 114.38 112.11 2ctr h ARG 65 Ca -0.06 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 58.71 2ctr h ARG 65 Cb 0.65 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.47 2ctr h ARG 65 CO 0.05 0.52 0.54 -0.22 -3.11 0.00 0.00 179.97 177.76 2ctr h LYS 66 N 0.53 1.19 0.01 0.20 3.64 0.00 -1.04 116.57 121.10 2ctr h LYS 66 Ca 0.12 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ctr h LYS 66 Cb 0.25 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2ctr h LYS 66 CO 0.00 0.82 -0.01 0.93 -2.27 0.00 0.00 179.45 178.93 2ctr h GLU 67 N 1.21 -0.01 -0.00 1.90 5.08 -0.76 0.40 114.58 122.40 2ctr h GLU 67 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2ctr h GLU 67 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2ctr h GLU 67 CO -0.06 0.60 0.04 -0.92 -1.00 0.00 0.00 179.01 177.67 2ctr h TYR 68 N -0.65 0.00 0.03 4.33 3.20 -1.25 0.66 116.97 123.29 2ctr h TYR 68 Ca -0.00 0.00 -0.39 0.00 3.14 0.00 0.00 58.73 61.48 2ctr h TYR 68 Cb 0.62 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 2ctr h TYR 68 CO 0.14 0.00 -2.37 -3.47 -1.64 0.00 0.00 178.16 170.82 2ctr n ASP 69 N -3.07 2.01 0.23 -2.11 -0.08 -0.41 -1.89 116.55 111.24 2ctr n ASP 69 Ca -0.03 -0.06 0.12 0.00 -1.51 0.00 0.00 54.79 53.32 2ctr n ASP 69 Cb 0.11 -0.51 0.35 0.00 2.34 0.00 0.00 41.12 43.40 2ctr n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ctr h THR 70 N -0.00 0.16 0.00 5.18 1.03 0.41 -3.33 112.91 116.35 2ctr h THR 70 Ca -0.55 -0.99 -0.24 0.00 -0.01 0.00 0.00 66.41 64.62 2ctr h THR 70 Cb 1.92 1.86 -0.04 0.00 -1.07 0.00 0.00 68.15 70.83 2ctr h THR 70 CO -0.06 0.08 -1.88 0.18 -0.01 0.00 0.00 175.52 173.83 2ctr n LEU 71 N -3.15 2.61 0.00 0.00 4.77 0.22 -5.04 117.00 116.42 2ctr n LEU 71 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ctr n LEU 71 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2ctr n LEU 71 CO 0.32 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2ctr n GLY 72 N 2.61 1.61 0.29 -0.72 0.00 -0.79 -4.12 105.19 104.06 2ctr n GLY 72 Ca -0.28 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.38 2ctr n GLY 72 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ctr n HIS 73 N 2.16 0.50 0.24 1.61 -0.00 -1.21 0.14 115.22 118.65 2ctr n HIS 73 Ca 0.00 1.02 -0.17 0.00 0.46 0.00 0.00 57.72 59.03 2ctr n HIS 73 Cb 0.00 -1.11 -0.09 0.00 -0.12 0.00 0.00 29.99 28.67 2ctr n HIS 73 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2ctr h SER 74 N 0.00 -1.22 0.29 0.26 0.87 -1.93 -1.71 113.55 110.11 2ctr h SER 74 Ca 0.49 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 61.15 2ctr h SER 74 Cb 0.99 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2ctr h SER 74 CO -0.80 -0.58 -0.14 0.00 -0.53 0.00 0.00 176.83 174.78 2ctr h ALA 75 N -0.54 -0.46 -0.84 6.23 0.00 -0.48 -3.27 119.26 119.91 2ctr h ALA 75 Ca -0.03 -0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.12 2ctr h ALA 75 Cb 0.77 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 2ctr h ALA 75 CO -0.10 -0.43 0.49 0.34 0.00 0.00 0.00 179.25 179.55 2ctr n PHE 76 N -4.54 0.75 -1.16 0.00 -0.00 0.36 0.59 117.46 113.45 2ctr n PHE 76 Ca -0.05 0.76 -0.18 0.00 -0.00 0.00 0.00 57.45 57.98 2ctr n PHE 76 Cb 0.16 -1.18 -0.10 0.00 -0.00 0.00 0.00 39.48 38.35 2ctr n PHE 76 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2ctr n THR 77 N -4.51 3.06 -3.69 -2.13 -2.24 -0.64 -4.90 114.28 99.23 2ctr n THR 77 Ca 0.29 -2.06 -0.36 0.00 -2.27 0.00 0.00 64.05 59.65 2ctr n THR 77 Cb 1.03 -1.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.41 2ctr n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ctr s SER 78 N 1.24 6.36 0.00 3.42 1.04 0.20 -4.37 113.70 121.58 2ctr s SER 78 Ca 0.58 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2ctr s SER 78 Cb 0.32 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.32 2ctr s SER 78 CO -0.09 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2ctr n GLY 79 N 3.01 3.05 2.92 7.32 0.00 -1.26 -4.91 105.19 115.32 2ctr n GLY 79 Ca -0.16 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2ctr n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ctr s LYS 80 N 0.00 2.35 -0.47 1.61 2.36 -1.26 -4.92 119.74 119.40 2ctr s LYS 80 Ca 0.00 -3.13 0.03 0.00 -2.55 0.00 0.00 55.97 50.32 2ctr s LYS 80 Cb 0.00 -3.42 0.44 0.00 -1.05 0.00 0.00 37.83 33.81 2ctr s LYS 80 CO 0.00 -1.23 1.51 0.41 1.55 0.00 0.00 175.35 177.59 2ctr n GLY 81 N 2.32 6.12 3.10 5.54 0.00 -1.26 -4.89 105.19 116.12 2ctr n GLY 81 Ca 0.15 -2.56 -0.36 0.00 0.00 0.00 0.00 46.02 43.25 2ctr n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ctr s GLN 82 N -3.70 2.89 -0.13 1.61 -2.07 -1.26 -5.03 119.66 111.97 2ctr s GLN 82 Ca 0.55 -2.87 -0.18 0.00 -1.82 0.00 0.00 55.36 51.04 2ctr s GLN 82 Cb 0.44 -3.84 0.04 0.00 -1.09 0.00 0.00 33.01 28.57 2ctr s GLN 82 CO -0.04 -1.22 0.47 -1.54 -1.32 0.00 0.00 175.29 171.64 2ctr s SER 83 N 0.31 -0.46 -0.01 12.60 1.04 -1.26 -5.17 113.70 120.75 2ctr s SER 83 Ca 0.22 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.43 2ctr s SER 83 Cb -0.14 0.79 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2ctr s SER 83 CO -0.08 -0.28 -0.04 -0.83 0.98 0.00 0.00 173.24 172.99 2ctr s GLY 84 N -0.25 1.79 -0.02 7.32 0.00 -1.26 -5.04 107.32 109.86 2ctr s GLY 84 Ca -0.04 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.45 2ctr s GLY 84 CO 0.03 -0.82 1.27 -0.56 0.00 0.00 0.00 173.10 173.02 2ctr h PRO 85 N 4.61 0.02 -1.90 2.90 0.13 -2.02 -3.48 132.00 132.25 2ctr h PRO 85 Ca -0.49 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.77 2ctr h PRO 85 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 2ctr h PRO 85 CO 0.55 0.50 0.59 -1.54 -0.23 0.00 0.00 178.00 177.86 2ctr s SER 86 N -5.72 -0.31 -0.05 1.44 1.04 -1.26 -5.03 113.70 103.82 2ctr s SER 86 Ca -0.16 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 2ctr s SER 86 Cb 0.02 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.47 2ctr s SER 86 CO 0.68 -0.46 0.01 -0.55 0.98 0.00 0.00 173.24 173.91 2ctr s SER 87 N -2.04 1.07 0.00 7.02 0.15 -1.26 -5.24 113.70 113.39 2ctr s SER 87 Ca 0.04 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2ctr s SER 87 Cb -0.01 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2ctr s SER 87 CO -0.05 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.83