#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctr s SER 2 N 0.00 6.51 0.27 1.61 0.01 -1.26 -5.02 113.70 115.81 2ctr s SER 2 Ca 0.00 2.90 0.03 0.00 1.31 0.00 0.00 55.95 60.19 2ctr s SER 2 Cb 0.00 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 2ctr s SER 2 CO 0.00 -0.75 0.04 -0.44 0.41 0.00 0.00 173.24 172.50 2ctr s SER 3 N -0.18 1.84 0.00 2.44 0.01 -1.26 -5.13 113.70 111.42 2ctr s SER 3 Ca 0.53 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2ctr s SER 3 Cb -0.44 0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2ctr s SER 3 CO 0.57 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2ctr n GLY 4 N -0.51 0.30 3.34 3.44 0.00 -1.26 -4.98 105.19 105.51 2ctr n GLY 4 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2ctr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctr n SER 5 N -0.02 -5.15 -4.81 1.61 2.88 -1.26 -4.98 113.62 101.89 2ctr n SER 5 Ca 0.00 -0.50 -0.35 0.00 -1.33 0.00 0.00 58.87 56.69 2ctr n SER 5 Cb 0.00 -4.59 -0.06 0.00 -0.75 0.00 0.00 64.21 58.81 2ctr n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctr s SER 6 N -3.48 7.11 0.00 -3.46 0.01 -1.26 -4.97 113.70 107.65 2ctr s SER 6 Ca 0.42 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.30 2ctr s SER 6 Cb -0.19 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2ctr s SER 6 CO 0.65 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.80 2ctr n GLY 7 N 0.25 -0.31 3.94 3.44 0.00 -1.26 -4.73 105.19 106.51 2ctr n GLY 7 Ca 0.02 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.76 6.36 0.17 1.61 0.01 -1.26 -4.98 113.70 114.85 2ctr s SER 8 Ca 0.00 0.29 -0.27 0.00 1.31 0.00 0.00 55.95 57.27 2ctr s SER 8 Cb 0.00 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.28 2ctr s SER 8 CO 0.00 0.01 1.55 1.88 0.41 0.00 0.00 173.24 177.10 2ctr h TYR 9 N 2.11 -1.50 -1.03 2.43 0.05 -1.97 0.36 116.97 117.42 2ctr h TYR 9 Ca -0.48 0.10 0.35 0.00 0.05 0.00 0.00 58.73 58.75 2ctr h TYR 9 Cb 1.19 0.75 -0.10 0.00 1.01 0.00 0.00 36.73 39.59 2ctr h TYR 9 CO 0.54 -0.42 0.67 0.66 -1.05 0.00 0.00 178.16 178.57 2ctr n TYR 10 N -5.37 0.47 -0.06 4.88 4.01 -1.26 0.16 117.16 120.00 2ctr n TYR 10 Ca 0.02 0.48 -0.13 0.00 -0.16 0.00 0.00 57.90 58.10 2ctr n TYR 10 Cb 0.33 -0.88 -0.12 0.00 -0.31 0.00 0.00 39.34 38.37 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 -0.01 -0.79 7.72 3.58 -0.52 0.37 116.42 126.77 2ctr h ASP 11 Ca 0.64 -0.86 0.07 0.00 0.42 0.00 0.00 57.03 57.30 2ctr h ASP 11 Cb 2.11 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.11 2ctr h ASP 11 CO -0.32 0.88 0.52 0.40 -2.88 0.00 0.00 179.24 177.84 2ctr h ILE 12 N -0.91 1.02 0.07 2.25 2.04 0.19 -2.40 117.51 119.76 2ctr h ILE 12 Ca -0.00 -0.28 -0.30 0.00 1.00 0.00 0.00 64.86 65.27 2ctr h ILE 12 Cb 0.87 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2ctr h ILE 12 CO 0.00 0.15 -1.64 -0.07 0.00 0.00 0.00 178.15 176.59 2ctr h LEU 13 N 0.82 0.22 -0.01 1.44 3.38 -0.70 -3.46 115.31 117.01 2ctr h LEU 13 Ca 0.35 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ctr h LEU 13 Cb 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2ctr h LEU 13 CO -0.12 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.35 2ctr n GLY 14 N 1.66 1.19 3.56 0.83 0.00 0.10 -4.66 105.19 107.88 2ctr n GLY 14 Ca -0.18 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 3.08 0.93 1.61 -7.23 0.32 -5.00 120.40 112.09 2ctr s VAL 15 Ca 0.00 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 2ctr s VAL 15 Cb 0.00 -2.54 0.15 0.00 0.56 0.00 0.00 36.38 34.55 2ctr s VAL 15 CO 0.00 -0.16 1.09 -2.16 -0.31 0.00 0.00 175.10 173.57 2ctr s PRO 16 N -2.94 0.99 0.55 4.82 0.04 -1.26 -4.54 135.00 132.66 2ctr s PRO 16 Ca 0.25 0.72 0.33 0.00 0.04 0.00 0.00 61.00 62.34 2ctr s PRO 16 Cb -0.08 -1.79 1.53 0.00 0.04 0.00 0.00 34.50 34.20 2ctr s PRO 16 CO 0.15 -2.40 2.06 0.87 0.04 0.00 0.00 177.00 177.72 2ctr h LYS 17 N -1.66 0.00 -0.31 4.56 1.79 -2.00 -2.14 116.57 116.81 2ctr h LYS 17 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2ctr h LYS 17 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2ctr h LYS 17 CO 0.56 0.07 0.00 0.43 -1.08 0.00 0.00 179.45 179.42 2ctr n SER 18 N -3.28 3.82 -4.67 0.86 7.64 -1.26 -5.02 113.62 111.71 2ctr n SER 18 Ca -0.01 -2.77 -0.45 0.00 1.01 0.00 0.00 58.87 56.65 2ctr n SER 18 Cb 0.26 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ctr n ALA 19 N -0.16 1.22 -1.81 -0.43 0.00 -0.81 -4.95 120.51 113.57 2ctr n ALA 19 Ca 0.20 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.73 2ctr n ALA 19 Cb 0.81 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 2ctr n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ctr s SER 20 N 0.59 6.75 0.32 0.00 0.15 -1.26 -4.75 113.70 115.50 2ctr s SER 20 Ca 0.73 1.77 0.06 0.00 0.70 0.00 0.00 55.95 59.22 2ctr s SER 20 Cb -0.67 -2.55 0.89 0.00 -1.71 0.00 0.00 66.02 61.99 2ctr s SER 20 CO 0.44 -0.49 1.59 -0.08 1.20 0.00 0.00 173.24 175.89 2ctr h GLU 21 N 1.80 0.04 -0.39 5.44 4.81 -1.92 1.55 114.58 125.91 2ctr h GLU 21 Ca -0.49 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2ctr h GLU 21 Cb 1.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2ctr h GLU 21 CO 0.60 0.03 0.02 -0.09 -0.73 0.00 0.00 179.01 178.83 2ctr h ARG 22 N 0.04 0.62 -0.19 1.92 9.65 -1.97 -2.10 114.38 122.35 2ctr h ARG 22 Ca 0.65 -0.14 -0.11 0.00 -1.10 0.00 0.00 59.98 59.28 2ctr h ARG 22 Cb 1.46 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 2ctr h ARG 22 CO -0.84 0.63 -0.33 1.96 2.80 0.00 0.00 179.97 184.18 2ctr h GLN 23 N 0.59 0.55 0.66 0.20 4.20 0.18 -1.79 115.11 119.69 2ctr h GLN 23 Ca 0.12 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 2ctr h GLN 23 Cb 0.35 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2ctr h GLN 23 CO 0.01 0.96 -0.33 0.82 -0.67 0.00 0.00 178.83 179.61 2ctr h ILE 24 N 0.21 0.00 -0.43 2.54 2.04 -0.68 0.54 117.51 121.73 2ctr h ILE 24 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 2ctr h ILE 24 Cb 0.92 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2ctr h ILE 24 CO 0.08 0.00 0.30 0.07 0.00 0.00 0.00 178.15 178.60 2ctr h LYS 25 N -0.90 0.08 0.10 2.37 2.10 -1.50 0.14 116.57 118.95 2ctr h LYS 25 Ca -0.09 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2ctr h LYS 25 Cb 0.70 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2ctr h LYS 25 CO 0.14 0.05 -0.05 0.87 -2.00 0.00 0.00 179.45 178.47 2ctr h LYS 26 N 0.09 -0.12 -0.56 0.07 1.79 -1.03 -0.24 116.57 116.57 2ctr h LYS 26 Ca 0.20 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.57 2ctr h LYS 26 Cb 0.70 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2ctr h LYS 26 CO -0.02 0.24 -0.07 0.00 -1.08 0.00 0.00 179.45 178.52 2ctr h ALA 27 N 0.33 0.81 0.68 3.86 0.00 -0.18 -3.09 119.26 121.66 2ctr h ALA 27 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2ctr h ALA 27 Cb 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ctr h ALA 27 CO 0.02 0.67 -0.33 0.35 0.00 0.00 0.00 179.25 179.97 2ctr h PHE 28 N 0.93 -0.84 -0.76 0.00 3.57 -0.78 -2.41 116.94 116.65 2ctr h PHE 28 Ca 0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2ctr h PHE 28 Cb 0.63 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2ctr h PHE 28 CO 0.04 -0.49 -0.46 0.45 -2.23 0.00 0.00 178.31 175.62 2ctr h HIS 29 N -1.11 -1.47 -0.61 0.41 3.86 -1.08 0.30 115.15 115.46 2ctr h HIS 29 Ca -0.09 0.10 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 2ctr h HIS 29 Cb 0.73 0.74 -0.09 0.00 1.06 0.00 0.00 27.41 29.85 2ctr h HIS 29 CO -0.00 -0.29 0.07 0.87 0.86 0.00 0.00 177.93 179.44 2ctr h LYS 30 N -0.01 0.18 0.42 2.45 1.57 -1.59 -2.63 116.57 116.96 2ctr h LYS 30 Ca 0.12 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2ctr h LYS 30 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2ctr h LYS 30 CO -0.72 0.12 -0.32 -0.07 -0.57 0.00 0.00 179.45 177.89 2ctr h LEU 31 N 0.19 -0.85 -1.07 2.94 3.38 -0.04 -2.25 115.31 117.61 2ctr h LEU 31 Ca 0.32 0.06 0.40 0.00 0.09 0.00 0.00 57.88 58.74 2ctr h LEU 31 Cb 0.50 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2ctr h LEU 31 CO -0.46 -0.46 0.65 0.00 0.09 0.00 0.00 178.44 178.26 2ctr n ALA 32 N -2.56 1.07 -0.15 1.53 0.00 0.66 0.23 120.51 121.30 2ctr n ALA 32 Ca -0.09 0.81 -0.10 0.00 0.00 0.00 0.00 53.44 54.06 2ctr n ALA 32 Cb 0.31 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 0.79 -0.29 0.00 2.86 -1.07 1.43 114.93 118.64 2ctr h MET 33 Ca 0.75 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 58.06 2ctr h MET 33 Cb 2.27 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.85 2ctr h MET 33 CO -0.51 0.86 -0.17 -0.22 1.06 0.00 0.00 176.91 177.93 2ctr h LYS 34 N 0.63 0.52 -0.29 1.72 3.64 0.32 -2.85 116.57 120.27 2ctr h LYS 34 Ca 0.12 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2ctr h LYS 34 Cb 0.51 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2ctr h LYS 34 CO 0.02 0.68 0.00 0.66 -2.27 0.00 0.00 179.45 178.55 2ctr n TYR 35 N -4.17 1.04 -2.09 1.91 4.01 -0.48 -4.84 117.16 112.53 2ctr n TYR 35 Ca 0.00 -0.95 -0.41 0.00 -0.16 0.00 0.00 57.90 56.38 2ctr n TYR 35 Cb 0.36 -0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 2ctr n TYR 35 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2ctr s HIS 36 N -2.88 3.02 0.09 -0.72 2.46 0.49 -4.10 115.29 113.65 2ctr s HIS 36 Ca 0.43 1.37 -0.16 0.00 0.47 0.00 0.00 55.06 57.17 2ctr s HIS 36 Cb 0.35 -3.71 -0.09 0.00 -0.13 0.00 0.00 32.58 29.00 2ctr s HIS 36 CO 0.08 -1.99 1.41 -1.00 -2.47 0.00 0.00 174.74 170.77 2ctr h PRO 37 N 3.54 0.64 0.41 2.88 0.13 -1.83 0.16 132.00 137.92 2ctr h PRO 37 Ca -0.49 -0.34 -0.02 0.00 -0.87 0.00 0.00 66.00 64.29 2ctr h PRO 37 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ctr h PRO 37 CO 0.67 0.94 -0.20 0.22 -0.23 0.00 0.00 178.00 179.40 2ctr h ASP 38 N 0.37 -0.47 0.21 1.44 1.82 -1.97 -3.29 116.42 114.54 2ctr h ASP 38 Ca 0.04 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2ctr h ASP 38 Cb 0.82 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.95 2ctr h ASP 38 CO 0.06 -0.23 -0.10 0.11 -1.61 0.00 0.00 179.24 177.47 2ctr h LYS 39 N -0.69 -0.27 -6.32 0.28 1.79 -1.90 -3.42 116.57 106.03 2ctr h LYS 39 Ca -0.06 0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 57.88 2ctr h LYS 39 Cb 0.49 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 2ctr h LYS 39 CO 0.09 0.05 0.84 1.21 -1.08 0.00 0.00 179.45 180.56 2ctr s ASN 40 N -5.22 6.88 -0.55 0.86 3.84 0.55 -4.91 114.94 116.39 2ctr s ASN 40 Ca -0.14 2.02 -0.01 0.00 0.21 0.00 0.00 52.86 54.93 2ctr s ASN 40 Cb 0.02 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 38.60 2ctr s ASN 40 CO 0.58 -0.72 1.99 0.29 -2.79 0.00 0.00 177.10 176.45 2ctr n LYS 41 N 5.67 2.40 -4.30 0.43 5.02 -1.26 -4.59 118.16 121.53 2ctr n LYS 41 Ca 0.13 -2.81 -0.22 0.00 -2.02 0.00 0.00 58.31 53.38 2ctr n LYS 41 Cb 0.44 -2.10 -0.12 0.00 -0.02 0.00 0.00 35.03 33.23 2ctr n LYS 41 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ctr s SER 42 N -1.27 2.53 0.04 4.39 0.01 -1.26 -5.06 113.70 113.08 2ctr s SER 42 Ca 0.55 -0.76 -0.21 0.00 1.31 0.00 0.00 55.95 56.84 2ctr s SER 42 Cb 0.44 -0.14 -0.15 0.00 0.21 0.00 0.00 66.02 66.38 2ctr s SER 42 CO 0.01 0.00 1.34 1.55 0.41 0.00 0.00 173.24 176.56 2ctr h PRO 43 N 3.72 0.33 -0.73 12.44 0.13 -1.99 -3.23 132.00 142.67 2ctr h PRO 43 Ca -0.44 -0.17 0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2ctr h PRO 43 Cb 1.19 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2ctr h PRO 43 CO 0.45 0.72 0.41 -0.44 -0.23 0.00 0.00 178.00 178.91 2ctr h ASP 44 N -0.05 0.60 -0.45 1.44 5.19 -2.00 -2.62 116.42 118.54 2ctr h ASP 44 Ca 0.02 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 2ctr h ASP 44 Cb 0.66 -0.08 -0.10 0.00 0.18 0.00 0.00 39.33 39.99 2ctr h ASP 44 CO 0.03 0.38 -0.34 0.00 -3.12 0.00 0.00 179.24 176.18 2ctr h ALA 45 N 1.38 -0.19 -0.85 3.45 0.00 -1.89 0.65 119.26 121.81 2ctr h ALA 45 Ca 0.33 0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.56 2ctr h ALA 45 Cb 0.23 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 2ctr h ALA 45 CO -0.20 -0.74 0.30 1.49 0.00 0.00 0.00 179.25 180.10 2ctr h GLU 46 N -0.24 0.31 0.28 0.00 4.81 -1.53 -1.20 114.58 117.01 2ctr h GLU 46 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2ctr h GLU 46 Cb 0.55 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2ctr h GLU 46 CO -0.58 0.21 -0.13 0.00 -0.73 0.00 0.00 179.01 177.77 2ctr h ALA 47 N 1.70 -0.37 -0.69 2.92 0.00 -0.94 -3.01 119.26 118.87 2ctr h ALA 47 Ca 0.52 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.40 2ctr h ALA 47 Cb 0.97 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 2ctr h ALA 47 CO -0.55 -0.57 -0.19 0.87 0.00 0.00 0.00 179.25 178.81 2ctr h LYS 48 N -0.65 -0.01 -0.28 0.00 1.79 0.04 0.81 116.57 118.27 2ctr h LYS 48 Ca -0.04 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.51 2ctr h LYS 48 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2ctr h LYS 48 CO 0.06 -0.01 0.22 0.35 -1.08 0.00 0.00 179.45 179.00 2ctr h PHE 49 N -0.01 0.00 0.00 -1.35 3.57 -1.25 0.20 116.94 118.10 2ctr h PHE 49 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2ctr h PHE 49 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2ctr h PHE 49 CO -0.57 0.00 0.00 -0.09 -2.23 0.00 0.00 178.31 175.42 2ctr h ARG 50 N 0.00 0.00 0.00 1.11 9.65 0.79 -1.40 114.38 124.53 2ctr h ARG 50 Ca 0.13 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.86 2ctr h ARG 50 Cb 0.58 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 2ctr h ARG 50 CO -0.00 0.00 -2.08 0.39 2.80 0.00 0.00 179.97 181.08 2ctr n GLU 51 N -2.62 0.76 -0.01 0.20 1.02 0.67 -4.07 120.64 116.60 2ctr n GLU 51 Ca -0.00 -0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 2ctr n GLU 51 Cb 0.16 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.52 0.69 -3.67 2.04 -0.98 -3.09 117.51 114.01 2ctr h ILE 52 Ca -0.23 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 63.48 2ctr h ILE 52 Cb 1.47 2.82 0.01 0.00 -0.74 0.00 0.00 36.82 40.38 2ctr h ILE 52 CO 0.01 0.60 -0.33 0.00 0.00 0.00 0.00 178.15 178.43 2ctr h ALA 53 N 0.23 -1.19 -1.17 1.87 0.00 -1.50 -2.06 119.26 115.44 2ctr h ALA 53 Ca -0.06 -0.20 0.34 0.00 0.00 0.00 0.00 54.91 54.99 2ctr h ALA 53 Cb 1.22 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 2ctr h ALA 53 CO 0.09 -1.12 0.75 1.49 0.00 0.00 0.00 179.25 180.46 2ctr h GLU 54 N -0.97 0.24 -0.49 0.00 4.57 -1.73 0.60 114.58 116.79 2ctr h GLU 54 Ca -0.09 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 2ctr h GLU 54 Cb 0.71 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 2ctr h GLU 54 CO 0.16 0.16 -0.01 0.00 -1.18 0.00 0.00 179.01 178.13 2ctr h ALA 55 N 1.61 0.66 0.06 2.92 0.00 -1.41 -3.23 119.26 119.87 2ctr h ALA 55 Ca 0.69 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2ctr h ALA 55 Cb 2.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2ctr h ALA 55 CO -0.34 0.48 -0.03 -0.92 0.00 0.00 0.00 179.25 178.44 2ctr h TYR 56 N 0.74 -0.08 -0.76 0.00 3.20 0.73 -3.05 116.97 117.74 2ctr h TYR 56 Ca 0.14 -0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.32 2ctr h TYR 56 Cb 0.53 0.03 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 2ctr h TYR 56 CO 0.04 0.52 0.42 0.39 -1.64 0.00 0.00 178.16 177.89 2ctr n GLU 57 N -4.80 -0.04 -0.05 1.82 -0.58 0.76 0.23 120.64 117.97 2ctr n GLU 57 Ca -0.08 0.99 -0.12 0.00 -0.42 0.00 0.00 57.16 57.53 2ctr n GLU 57 Cb 0.31 -1.79 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 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 1.40 0.00 2.62 2.02 -1.60 -3.14 112.91 114.21 2ctr h THR 58 Ca 0.62 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2ctr h THR 58 Cb 1.68 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 70.67 2ctr h THR 58 CO -0.53 0.45 0.00 0.18 0.37 0.00 0.00 175.52 175.99 2ctr n LEU 59 N -4.70 0.00 -0.11 2.58 4.77 0.26 -0.47 117.00 119.33 2ctr n LEU 59 Ca -0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 2ctr n LEU 59 Cb 0.36 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 2ctr n LEU 59 CO 0.28 0.00 -0.78 -1.54 -1.33 0.00 0.00 177.39 174.02 2ctr n SER 60 N -0.76 1.89 -4.81 -1.43 3.41 0.63 -4.84 113.62 107.71 2ctr n SER 60 Ca 0.11 0.42 -0.31 0.00 -0.26 0.00 0.00 58.87 58.83 2ctr n SER 60 Cb 0.05 -0.89 0.05 0.00 -0.26 0.00 0.00 64.21 63.17 2ctr n SER 60 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2ctr s ASP 61 N -6.77 5.27 0.00 4.04 1.01 -1.19 -4.93 116.67 114.10 2ctr s ASP 61 Ca -0.30 1.66 0.00 0.00 0.71 0.00 0.00 52.55 54.62 2ctr s ASP 61 Cb 0.08 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.51 2ctr s ASP 61 CO 0.49 -1.52 0.38 0.00 0.21 0.00 0.00 175.17 174.73 2ctr n ALA 62 N -3.13 -0.17 -0.25 5.23 0.00 -1.26 -1.68 120.51 119.24 2ctr n ALA 62 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2ctr n ALA 62 Cb 0.53 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 0.05 0.46 0.00 4.21 -1.95 0.51 115.58 118.85 2ctr h ASN 63 Ca 0.00 0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 2ctr h ASN 63 Cb 0.00 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 2ctr h ASN 63 CO 0.00 -0.02 -0.33 0.03 -1.29 0.00 0.00 177.43 175.82 2ctr h ARG 64 N 0.29 -0.74 0.00 0.81 3.08 -1.81 -0.01 114.38 116.00 2ctr h ARG 64 Ca 0.42 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 2ctr h ARG 64 Cb 0.70 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2ctr h ARG 64 CO -0.50 -0.49 -0.13 -0.09 -1.07 0.00 0.00 179.97 177.69 2ctr h ARG 65 N -0.77 0.00 0.04 0.04 1.12 0.15 -1.34 114.38 113.62 2ctr h ARG 65 Ca -0.05 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2ctr h ARG 65 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2ctr h ARG 65 CO 0.02 0.13 -0.02 -0.22 -3.11 0.00 0.00 179.97 176.77 2ctr h LYS 66 N 0.00 -0.05 -0.55 0.20 3.64 0.59 -2.62 116.57 117.78 2ctr h LYS 66 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2ctr h LYS 66 Cb 0.24 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2ctr h LYS 66 CO 0.02 0.29 0.03 0.93 -2.27 0.00 0.00 179.45 178.44 2ctr h GLU 67 N -0.40 0.91 0.00 1.90 5.08 -0.76 0.20 114.58 121.51 2ctr h GLU 67 Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2ctr h GLU 67 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ctr h GLU 67 CO 0.01 0.89 0.00 0.98 -1.00 0.00 0.00 179.01 179.89 2ctr n TYR 68 N -4.21 0.43 -0.11 4.33 4.19 -0.53 -0.52 117.16 120.75 2ctr n TYR 68 Ca 0.03 0.19 -0.15 0.00 3.31 0.00 0.00 57.90 61.28 2ctr n TYR 68 Cb 0.30 -0.80 -0.11 0.00 0.49 0.00 0.00 39.34 39.23 2ctr n TYR 68 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 2ctr n ASP 69 N -1.91 2.17 0.23 2.98 -0.08 -0.73 -2.63 116.55 116.58 2ctr n ASP 69 Ca 0.02 -0.11 0.13 0.00 -1.51 0.00 0.00 54.79 53.31 2ctr n ASP 69 Cb 0.14 -0.28 0.31 0.00 2.34 0.00 0.00 41.12 43.64 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 0.03 0.00 5.18 1.03 -0.77 -3.35 112.91 115.04 2ctr h THR 70 Ca -0.50 -0.90 -0.27 0.00 -0.01 0.00 0.00 66.41 64.73 2ctr h THR 70 Cb 1.79 1.88 -0.04 0.00 -1.07 0.00 0.00 68.15 70.71 2ctr h THR 70 CO -0.07 0.02 -1.93 0.18 -0.01 0.00 0.00 175.52 173.70 2ctr n LEU 71 N -3.11 1.93 0.00 0.00 4.77 0.32 -5.07 117.00 115.84 2ctr n LEU 71 Ca 0.03 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2ctr n LEU 71 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2ctr n LEU 71 CO 0.32 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2ctr n GLY 72 N 2.26 0.06 0.65 -0.72 0.00 -1.08 -4.48 105.19 101.89 2ctr n GLY 72 Ca -0.31 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 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 0.06 0.00 0.10 1.61 -0.00 -1.26 -4.06 115.22 111.67 2ctr n HIS 73 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2ctr n HIS 73 Cb 0.00 -0.22 0.16 0.00 -0.12 0.00 0.00 29.99 29.81 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 -0.17 0.18 0.00 0.26 0.87 -1.94 -2.83 113.55 109.92 2ctr h SER 74 Ca -0.15 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 2ctr h SER 74 Cb 1.15 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2ctr h SER 74 CO -0.08 0.72 -0.59 0.00 -0.53 0.00 0.00 176.83 176.35 2ctr h ALA 75 N 1.28 0.12 0.00 6.23 0.00 -1.84 -3.33 119.26 121.72 2ctr h ALA 75 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2ctr h ALA 75 Cb 1.05 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2ctr h ALA 75 CO 0.08 0.35 0.25 0.35 0.00 0.00 0.00 179.25 180.28 2ctr h PHE 76 N -1.00 0.00 -2.05 0.00 3.04 -1.71 -2.14 116.94 113.08 2ctr h PHE 76 Ca -0.15 0.00 -0.78 0.00 3.98 0.00 0.00 57.97 61.02 2ctr h PHE 76 Cb 1.02 0.00 -0.27 0.00 2.56 0.00 0.00 35.95 39.26 2ctr h PHE 76 CO 0.14 0.00 1.02 0.25 -2.02 0.00 0.00 178.31 177.71 2ctr n THR 77 N -2.70 4.19 -4.19 4.41 -2.24 -1.07 -4.96 114.28 107.73 2ctr n THR 77 Ca -0.02 -4.73 -0.16 0.00 -2.27 0.00 0.00 64.05 56.87 2ctr n THR 77 Cb 0.29 -1.32 -0.11 0.00 -2.10 0.00 0.00 70.33 67.09 2ctr n THR 77 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ctr s SER 78 N -1.20 1.65 0.00 3.42 0.15 -0.81 -4.24 113.70 112.67 2ctr s SER 78 Ca 0.49 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2ctr s SER 78 Cb 0.38 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2ctr s SER 78 CO -0.34 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2ctr n GLY 79 N 0.77 3.34 0.11 9.45 0.00 -1.26 -4.91 105.19 112.68 2ctr n GLY 79 Ca -0.17 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2ctr n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctr h LYS 80 N 0.00 -0.14 0.00 1.61 1.57 -1.99 -3.50 116.57 114.11 2ctr h LYS 80 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ctr h LYS 80 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2ctr h LYS 80 CO 0.00 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 2ctr n GLY 81 N 0.85 -0.02 2.85 3.86 0.00 -1.26 -5.14 105.19 106.34 2ctr n GLY 81 Ca -0.07 0.53 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 2ctr n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctr s GLN 82 N 1.99 1.16 0.22 1.61 0.74 -1.26 -4.89 119.66 119.23 2ctr s GLN 82 Ca 0.00 -0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.32 2ctr s GLN 82 Cb 0.00 -1.39 -0.03 0.00 1.10 0.00 0.00 33.01 32.69 2ctr s GLN 82 CO 0.00 -0.30 0.35 0.45 -0.55 0.00 0.00 175.29 175.24 2ctr s SER 83 N 1.81 6.32 0.00 6.67 0.15 -1.26 -5.01 113.70 122.38 2ctr s SER 83 Ca 0.05 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2ctr s SER 83 Cb -0.13 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2ctr s SER 83 CO -0.07 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2ctr n GLY 84 N -1.24 0.72 3.77 9.45 0.00 -1.26 -5.11 105.19 111.52 2ctr n GLY 84 Ca -0.09 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2ctr n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctr s PRO 85 N 0.00 4.12 -0.51 1.61 0.04 -1.26 -4.97 135.00 134.02 2ctr s PRO 85 Ca 0.00 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2ctr s PRO 85 Cb 0.00 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.80 2ctr s PRO 85 CO 0.00 -0.29 1.12 -1.12 0.04 0.00 0.00 177.00 176.75 2ctr s SER 86 N -0.99 6.54 -1.25 6.66 0.01 -1.26 -4.18 113.70 119.22 2ctr s SER 86 Ca 0.55 0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.98 2ctr s SER 86 Cb -0.33 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.46 2ctr s SER 86 CO 0.42 -1.30 0.23 -1.20 0.41 0.00 0.00 173.24 171.79 2ctr n SER 87 N 7.94 -0.36 0.00 2.44 7.64 -1.26 -5.10 113.62 124.92 2ctr n SER 87 Ca 0.10 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.06 2ctr n SER 87 Cb 0.49 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2ctr n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64