#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afa n LYS 31 N 0.00 -0.67 -3.21 2.89 0.00 -1.26 -5.06 118.16 110.85 3afa n LYS 31 Ca 0.00 0.97 -0.28 0.00 0.00 0.00 0.00 58.31 59.00 3afa n LYS 31 Cb 0.00 -2.87 -0.02 0.00 0.00 0.00 0.00 35.03 32.14 3afa n LYS 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3afa s GLU 32 N -1.98 3.61 0.22 1.64 -1.05 -1.26 -5.11 118.70 114.77 3afa s GLU 32 Ca 0.06 0.02 -0.14 0.00 -0.15 0.00 0.00 54.97 54.76 3afa s GLU 32 Cb -0.02 -2.59 0.00 0.00 -0.44 0.00 0.00 34.13 31.09 3afa s GLU 32 CO 0.25 0.13 0.46 -1.54 0.95 0.00 0.00 175.26 175.50 3afa s SER 33 N -3.42 -0.11 0.00 0.83 1.04 -1.26 -5.04 113.70 105.73 3afa s SER 33 Ca 0.44 -0.78 0.20 0.00 0.48 0.00 0.00 55.95 56.30 3afa s SER 33 Cb -0.10 0.56 1.18 0.00 0.10 0.00 0.00 66.02 67.75 3afa s SER 33 CO 0.33 -1.07 1.77 -1.22 0.98 0.00 0.00 173.24 174.02 3afa n TYR 34 N -0.34 0.01 -0.19 5.02 4.01 -1.26 -4.48 117.16 119.94 3afa n TYR 34 Ca -0.05 -0.01 -0.09 0.00 -0.16 0.00 0.00 57.90 57.59 3afa n TYR 34 Cb 0.62 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.58 3afa n TYR 34 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3afa h SER 35 N 0.18 -1.41 -0.90 7.72 0.02 -1.96 0.33 113.55 117.54 3afa h SER 35 Ca 0.00 0.20 0.24 0.00 -0.84 0.00 0.00 61.79 61.39 3afa h SER 35 Cb 0.04 0.60 -0.16 0.00 0.14 0.00 0.00 62.40 63.02 3afa h SER 35 CO 0.00 -0.22 0.10 0.40 -1.14 0.00 0.00 176.83 175.97 3afa h ILE 36 N -0.14 0.19 -0.28 3.27 2.04 -2.00 0.08 117.51 120.67 3afa h ILE 36 Ca 0.08 -0.03 -0.17 0.00 1.00 0.00 0.00 64.86 65.74 3afa h ILE 36 Cb 0.35 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3afa h ILE 36 CO -0.53 0.02 -0.48 1.88 0.00 0.00 0.00 178.15 179.04 3afa h TYR 37 N 0.10 1.03 -0.58 1.37 0.05 -1.55 -1.74 116.97 115.64 3afa h TYR 37 Ca 0.54 -0.36 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3afa h TYR 37 Cb 1.09 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.61 3afa h TYR 37 CO -0.39 1.17 0.27 0.28 -1.05 0.00 0.00 178.16 178.43 3afa h VAL 38 N 0.59 1.22 -0.29 -2.88 2.07 0.55 -2.10 116.25 115.41 3afa h VAL 38 Ca 0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3afa h VAL 38 Cb 1.09 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3afa h VAL 38 CO 0.11 0.25 0.16 0.22 0.02 0.00 0.00 177.57 178.33 3afa h TYR 39 N 0.80 0.41 -0.20 1.57 3.20 -0.99 0.84 116.97 122.59 3afa h TYR 39 Ca 0.20 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3afa h TYR 39 Cb 0.15 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3afa h TYR 39 CO 0.00 0.34 -0.07 0.87 -1.64 0.00 0.00 178.16 177.66 3afa h LYS 40 N 0.35 -0.02 -0.54 1.82 1.57 -1.12 -0.33 116.57 118.29 3afa h LYS 40 Ca 0.10 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3afa h LYS 40 Cb 0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3afa h LYS 40 CO -0.02 -0.02 0.36 0.28 -0.57 0.00 0.00 179.45 179.49 3afa h VAL 41 N -0.03 1.11 -0.75 0.50 2.07 -1.09 -1.44 116.25 116.63 3afa h VAL 41 Ca 0.10 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3afa h VAL 41 Cb 0.18 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3afa h VAL 41 CO -0.22 0.13 0.43 0.25 0.02 0.00 0.00 177.57 178.17 3afa h LEU 42 N 0.69 0.92 -1.27 2.57 5.85 0.79 -2.64 115.31 122.22 3afa h LEU 42 Ca 0.21 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3afa h LEU 42 Cb -0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3afa h LEU 42 CO -0.05 0.73 -0.32 0.11 -0.34 0.00 0.00 178.44 178.58 3afa h LYS 43 N 1.03 0.08 -0.33 1.25 1.79 -0.13 0.68 116.57 120.93 3afa h LYS 43 Ca 0.27 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.61 3afa h LYS 43 Cb 0.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3afa h LYS 43 CO -0.05 0.39 -0.18 1.96 -1.08 0.00 0.00 179.45 180.50 3afa h GLN 44 N 0.07 0.71 0.00 3.15 4.20 -1.13 -2.25 115.11 119.87 3afa h GLN 44 Ca 0.01 -0.32 -0.23 0.00 0.06 0.00 0.00 58.65 58.17 3afa h GLN 44 Cb 0.60 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3afa h GLN 44 CO 0.04 0.93 -1.27 -0.39 -0.67 0.00 0.00 178.83 177.47 3afa h VAL 45 N 0.49 1.20 -1.82 -0.54 -1.51 -1.41 -3.42 116.25 109.25 3afa h VAL 45 Ca 0.07 -2.92 -0.40 0.00 -1.23 0.00 0.00 66.70 62.22 3afa h VAL 45 Cb 0.73 2.57 -0.29 0.00 -2.13 0.00 0.00 31.29 32.17 3afa h VAL 45 CO 0.05 0.68 -0.77 -1.00 -1.23 0.00 0.00 177.57 175.31 3afa s HIS 46 N -2.71 -0.06 0.54 5.19 3.76 0.22 -4.99 115.29 117.25 3afa s HIS 46 Ca -0.01 -1.53 0.23 0.00 -0.15 0.00 0.00 55.06 53.61 3afa s HIS 46 Cb 0.09 -0.40 1.42 0.00 1.11 0.00 0.00 32.58 34.79 3afa s HIS 46 CO 0.82 -1.01 2.06 -1.35 -0.85 0.00 0.00 174.74 174.40 3afa h PRO 47 N 5.55 0.00 0.00 8.40 0.11 -1.55 -1.26 132.00 143.25 3afa h PRO 47 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3afa h PRO 47 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3afa h PRO 47 CO 0.22 0.00 -0.28 0.38 -0.21 0.00 0.00 178.00 178.10 3afa h ASP 48 N 0.00 0.00 -2.95 -2.05 2.03 -1.90 -3.47 116.42 108.07 3afa h ASP 48 Ca 0.15 -0.03 -0.62 0.00 -0.73 0.00 0.00 57.03 55.80 3afa h ASP 48 Cb 0.62 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.07 3afa h ASP 48 CO -0.00 0.01 -0.33 -0.89 -1.03 0.00 0.00 179.24 177.00 3afa s THR 49 N -3.21 5.22 0.00 1.15 2.01 -0.48 -5.11 115.64 115.23 3afa s THR 49 Ca 0.06 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.40 3afa s THR 49 Cb 0.08 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.00 3afa s THR 49 CO 0.69 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 175.62 3afa n GLY 50 N 1.23 3.02 3.53 4.40 0.00 -1.26 -4.83 105.19 111.28 3afa n GLY 50 Ca -0.11 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 3afa n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3afa s ILE 51 N 0.50 -0.01 0.94 -0.61 2.07 -1.26 -5.15 121.20 117.69 3afa s ILE 51 Ca 0.00 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.14 3afa s ILE 51 Cb 0.00 -0.88 0.16 0.00 0.13 0.00 0.00 42.46 41.86 3afa s ILE 51 CO 0.00 0.01 1.12 -0.94 -1.91 0.00 0.00 174.94 173.21 3afa s SER 52 N 1.18 3.19 0.10 4.50 1.04 -1.26 -4.83 113.70 117.62 3afa s SER 52 Ca -0.07 1.08 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 3afa s SER 52 Cb -0.05 -1.70 -0.06 0.00 0.10 0.00 0.00 66.02 64.31 3afa s SER 52 CO -0.12 -2.77 1.60 0.28 0.98 0.00 0.00 173.24 173.22 3afa h SER 53 N -1.64 0.43 -0.56 7.02 0.02 -2.02 0.04 113.55 116.84 3afa h SER 53 Ca -0.52 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.21 3afa h SER 53 Cb 1.33 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3afa h SER 53 CO 0.60 0.55 0.37 0.11 -1.14 0.00 0.00 176.83 177.31 3afa h LYS 54 N 0.30 0.73 -0.53 3.45 1.57 -1.99 0.83 116.57 120.93 3afa h LYS 54 Ca 0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3afa h LYS 54 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3afa h LYS 54 CO 0.00 0.49 0.09 0.00 -0.57 0.00 0.00 179.45 179.46 3afa h ALA 55 N 1.20 1.16 -0.42 3.86 0.00 -1.89 -0.38 119.26 122.79 3afa h ALA 55 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3afa h ALA 55 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3afa h ALA 55 CO -0.04 0.56 0.06 1.98 0.00 0.00 0.00 179.25 181.80 3afa h MET 56 N 0.79 0.65 -0.60 0.00 1.85 -0.06 -1.39 114.93 116.18 3afa h MET 56 Ca 0.17 -0.13 -0.05 0.00 -0.61 0.00 0.00 59.70 59.07 3afa h MET 56 Cb 0.35 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 3afa h MET 56 CO 0.01 0.63 0.16 0.78 -0.40 0.00 0.00 176.91 178.08 3afa h GLY 57 N 0.88 0.99 0.93 1.39 0.00 0.71 -1.83 103.07 106.14 3afa h GLY 57 Ca 0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3afa h GLY 57 CO 0.00 0.54 0.13 -2.22 0.00 0.00 0.00 176.54 175.00 3afa h ILE 58 N 0.89 1.18 -0.59 2.60 1.08 -0.30 -2.10 117.51 120.27 3afa h ILE 58 Ca 0.19 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3afa h ILE 58 Cb 0.30 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 3afa h ILE 58 CO -0.00 0.19 0.27 0.24 -0.69 0.00 0.00 178.15 178.16 3afa h MET 59 N 0.38 0.84 -0.17 2.37 2.86 -0.88 -0.09 114.93 120.23 3afa h MET 59 Ca 0.11 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3afa h MET 59 Cb 0.17 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3afa h MET 59 CO -0.01 0.66 0.05 -0.91 1.06 0.00 0.00 176.91 177.77 3afa h ASN 60 N 0.84 0.25 -0.51 1.22 4.21 -1.12 -0.68 115.58 119.79 3afa h ASN 60 Ca 0.20 -0.20 0.05 0.00 1.21 0.00 0.00 56.30 57.57 3afa h ASN 60 Cb 0.11 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.20 3afa h ASN 60 CO -0.02 0.38 0.24 0.28 -1.29 0.00 0.00 177.43 177.02 3afa h SER 61 N 0.10 0.33 -0.12 5.81 0.02 -0.92 -0.50 113.55 118.26 3afa h SER 61 Ca 0.05 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3afa h SER 61 Cb 0.22 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3afa h SER 61 CO -0.00 0.23 -0.11 0.15 -1.14 0.00 0.00 176.83 175.96 3afa h PHE 62 N 0.47 -0.26 -0.54 3.45 3.57 -0.69 -0.35 116.94 122.58 3afa h PHE 62 Ca 0.23 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3afa h PHE 62 Cb 0.16 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3afa h PHE 62 CO -0.11 -0.16 0.26 0.28 -2.23 0.00 0.00 178.31 176.34 3afa h VAL 63 N -0.13 1.20 -0.71 1.41 2.07 -0.61 -0.96 116.25 118.53 3afa h VAL 63 Ca 0.08 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3afa h VAL 63 Cb 0.24 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3afa h VAL 63 CO -0.20 0.23 0.33 0.78 0.02 0.00 0.00 177.57 178.73 3afa h ASN 64 N 0.73 0.94 0.54 0.57 2.35 -0.91 0.32 115.58 120.14 3afa h ASN 64 Ca 0.19 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3afa h ASN 64 Cb 0.13 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.26 3afa h ASN 64 CO -0.02 0.82 -0.26 -0.78 -1.65 0.00 0.00 177.43 175.54 3afa h ASP 65 N 1.00 -0.62 -0.53 5.81 3.58 -0.79 -0.32 116.42 124.54 3afa h ASP 65 Ca 0.24 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 3afa h ASP 65 Cb 0.14 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3afa h ASP 65 CO -0.03 -0.30 0.33 0.40 -2.88 0.00 0.00 179.24 176.75 3afa h ILE 66 N -0.94 1.16 -0.52 2.25 1.08 -1.15 -0.31 117.51 119.09 3afa h ILE 66 Ca -0.07 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 3afa h ILE 66 Cb 0.63 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3afa h ILE 66 CO 0.12 0.16 0.27 0.15 -0.69 0.00 0.00 178.15 178.17 3afa h PHE 67 N 0.75 0.72 -0.53 1.37 3.04 -0.78 -0.38 116.94 121.14 3afa h PHE 67 Ca 0.20 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.05 3afa h PHE 67 Cb -0.02 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.23 3afa h PHE 67 CO 0.00 0.54 0.01 1.49 -2.02 0.00 0.00 178.31 178.34 3afa h GLU 68 N 0.69 0.88 -0.34 1.11 4.57 0.12 -0.82 114.58 120.79 3afa h GLU 68 Ca 0.18 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 3afa h GLU 68 Cb 0.07 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3afa h GLU 68 CO -0.03 0.87 -0.15 0.00 -1.18 0.00 0.00 179.01 178.52 3afa h ARG 69 N 0.82 0.69 0.20 1.92 3.08 -0.74 0.97 114.38 121.32 3afa h ARG 69 Ca 0.16 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3afa h ARG 69 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3afa h ARG 69 CO 0.02 0.89 -0.10 0.82 -1.07 0.00 0.00 179.97 180.54 3afa h ILE 70 N 0.47 0.89 -0.26 2.04 1.08 -0.97 -2.31 117.51 118.46 3afa h ILE 70 Ca 0.08 -0.67 0.06 0.00 -0.39 0.00 0.00 64.86 63.94 3afa h ILE 70 Cb 0.68 1.27 -0.06 0.00 -3.07 0.00 0.00 36.82 35.64 3afa h ILE 70 CO 0.05 0.15 -0.15 0.00 -0.69 0.00 0.00 178.15 177.51 3afa h ALA 71 N 0.08 0.05 -0.45 1.87 0.00 -1.16 -0.41 119.26 119.23 3afa h ALA 71 Ca -0.03 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3afa h ALA 71 Cb 0.45 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3afa h ALA 71 CO 0.05 -0.55 0.18 0.78 0.00 0.00 0.00 179.25 179.70 3afa h GLY 72 N -0.12 0.60 1.05 0.00 0.00 -0.83 0.14 103.07 103.91 3afa h GLY 72 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3afa h GLY 72 CO -0.33 0.04 0.18 -2.09 0.00 0.00 0.00 176.54 174.33 3afa h GLU 73 N 0.36 1.11 -0.62 4.80 4.57 -0.88 -1.31 114.58 122.61 3afa h GLU 73 Ca 0.21 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3afa h GLU 73 Cb 0.19 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3afa h GLU 73 CO -0.20 0.97 0.20 0.00 -1.18 0.00 0.00 179.01 178.81 3afa h ALA 74 N 1.08 1.19 -0.14 2.92 0.00 -0.74 0.12 119.26 123.68 3afa h ALA 74 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3afa h ALA 74 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3afa h ALA 74 CO 0.00 0.57 0.05 1.03 0.00 0.00 0.00 179.25 180.90 3afa h SER 75 N 0.91 0.06 -0.14 0.00 0.87 -0.33 -1.01 113.55 113.91 3afa h SER 75 Ca 0.20 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3afa h SER 75 Cb 0.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3afa h SER 75 CO -0.01 0.06 0.06 0.03 -0.53 0.00 0.00 176.83 176.44 3afa h ARG 76 N 0.12 0.20 -0.49 2.24 3.08 -0.64 -1.62 114.38 117.27 3afa h ARG 76 Ca 0.06 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.17 3afa h ARG 76 Cb 0.03 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 3afa h ARG 76 CO -0.06 0.27 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.01 3afa h LEU 77 N 0.08 -0.28 -0.70 3.04 3.38 -0.53 0.37 115.31 120.68 3afa h LEU 77 Ca 0.05 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3afa h LEU 77 Cb 0.14 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3afa h LEU 77 CO -0.01 -0.10 0.17 0.00 0.09 0.00 0.00 178.44 178.59 3afa h ALA 78 N 1.45 0.92 -0.36 1.53 0.00 -1.09 -2.09 119.26 119.62 3afa h ALA 78 Ca 0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3afa h ALA 78 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3afa h ALA 78 CO -0.44 0.64 0.01 0.45 0.00 0.00 0.00 179.25 179.91 3afa h HIS 79 N 1.05 0.68 -0.84 0.00 3.86 -0.25 0.19 115.15 119.84 3afa h HIS 79 Ca 0.22 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 3afa h HIS 79 Cb 0.37 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 3afa h HIS 79 CO 0.03 0.73 0.55 1.88 0.86 0.00 0.00 177.93 181.97 3afa h TYR 80 N 0.45 0.92 -0.50 2.45 0.05 -0.16 -1.06 116.97 119.12 3afa h TYR 80 Ca 0.10 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3afa h TYR 80 Cb 0.45 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3afa h TYR 80 CO 0.04 0.47 0.00 0.09 -1.05 0.00 0.00 178.16 177.70 3afa n ASN 81 N -4.50 3.90 -4.06 3.88 3.02 -0.80 -4.94 115.26 111.77 3afa n ASN 81 Ca 0.13 -2.39 -0.30 0.00 -0.03 0.00 0.00 54.58 51.99 3afa n ASN 81 Cb 0.24 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 3afa n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3afa n LYS 82 N 0.78 -3.55 -4.21 3.52 5.02 -0.40 -4.97 118.16 114.34 3afa n LYS 82 Ca 0.20 0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 56.60 3afa n LYS 82 Cb 0.75 -4.89 -0.08 0.00 -0.02 0.00 0.00 35.03 30.79 3afa n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3afa s ARG 83 N -6.71 2.69 0.00 1.97 3.00 0.54 -5.02 118.95 115.42 3afa s ARG 83 Ca 0.39 -0.71 0.22 0.00 0.00 0.00 0.00 55.73 55.63 3afa s ARG 83 Cb -0.21 -2.61 -0.07 0.00 0.00 0.00 0.00 34.95 32.06 3afa s ARG 83 CO 0.90 0.59 1.04 -1.13 0.00 0.00 0.00 175.30 176.69 3afa n SER 84 N 1.01 1.74 -4.16 0.23 3.41 -1.26 -4.31 113.62 110.27 3afa n SER 84 Ca -0.13 -1.37 -0.26 0.00 -0.26 0.00 0.00 58.87 56.85 3afa n SER 84 Cb 0.52 0.63 -0.16 0.00 -0.26 0.00 0.00 64.21 64.94 3afa n SER 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3afa s THR 85 N -2.63 1.49 -0.43 6.66 -1.32 -1.26 -5.09 115.64 113.05 3afa s THR 85 Ca 0.15 -0.77 -0.20 0.00 -1.21 0.00 0.00 61.69 59.66 3afa s THR 85 Cb 0.17 -1.26 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 3afa s THR 85 CO 0.66 0.42 0.61 -0.63 -2.21 0.00 0.00 174.62 173.47 3afa s ILE 86 N -0.18 4.87 0.58 5.08 1.01 -1.26 -4.94 121.20 126.36 3afa s ILE 86 Ca 0.01 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.80 3afa s ILE 86 Cb -0.10 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.27 3afa s ILE 86 CO 0.01 -0.56 0.64 0.42 0.00 0.00 0.00 174.94 175.45 3afa s THR 87 N 2.71 1.84 -0.05 2.92 -4.23 -1.26 -4.97 115.64 112.61 3afa s THR 87 Ca 0.21 -1.21 0.29 0.00 -1.18 0.00 0.00 61.69 59.80 3afa s THR 87 Cb -0.15 -2.05 0.30 0.00 1.34 0.00 0.00 72.50 71.95 3afa s THR 87 CO 0.18 0.00 1.88 0.77 -0.54 0.00 0.00 174.62 176.91 3afa h SER 88 N 0.38 0.00 0.08 3.99 4.64 -1.99 -1.13 113.55 119.52 3afa h SER 88 Ca -0.32 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.85 3afa h SER 88 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3afa h SER 88 CO 0.47 0.00 -0.51 -0.09 -0.87 0.00 0.00 176.83 175.83 3afa h ARG 89 N 0.00 0.48 -0.06 4.77 2.43 -1.99 -0.11 114.38 119.89 3afa h ARG 89 Ca 0.00 -0.28 -0.22 0.00 -0.81 0.00 0.00 59.98 58.66 3afa h ARG 89 Cb 0.19 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3afa h ARG 89 CO 0.00 0.88 -0.86 0.93 -1.51 0.00 0.00 179.97 179.40 3afa h GLU 90 N 0.37 0.58 -0.82 0.20 3.07 -1.59 -2.73 114.58 113.66 3afa h GLU 90 Ca 0.01 -0.54 -0.04 0.00 -0.50 0.00 0.00 59.36 58.29 3afa h GLU 90 Cb 1.03 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 3afa h GLU 90 CO 0.09 1.16 0.36 0.82 -1.40 0.00 0.00 179.01 180.05 3afa h ILE 91 N 0.37 1.26 0.13 3.13 1.08 -1.24 0.49 117.51 122.72 3afa h ILE 91 Ca -0.07 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 3afa h ILE 91 Cb 1.49 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3afa h ILE 91 CO 0.16 0.33 -0.06 -0.61 -0.69 0.00 0.00 178.15 177.28 3afa h GLN 92 N 1.18 -0.17 -0.93 2.37 4.15 -1.02 -0.39 115.11 120.30 3afa h GLN 92 Ca 0.28 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.73 3afa h GLN 92 Cb 0.17 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 3afa h GLN 92 CO -0.03 0.16 0.61 1.15 -1.93 0.00 0.00 178.83 178.80 3afa h THR 93 N -0.52 1.19 -0.95 2.39 2.02 -1.41 0.54 112.91 116.18 3afa h THR 93 Ca -0.02 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.76 3afa h THR 93 Cb 0.41 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 3afa h THR 93 CO 0.03 0.22 0.63 0.00 0.37 0.00 0.00 175.52 176.77 3afa h ALA 94 N 1.36 1.21 -0.59 6.16 0.00 -0.81 0.42 119.26 127.01 3afa h ALA 94 Ca 0.36 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3afa h ALA 94 Cb -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 3afa h ALA 94 CO -0.10 0.58 0.13 0.28 0.00 0.00 0.00 179.25 180.15 3afa h VAL 95 N 1.27 1.25 -0.73 0.00 2.07 0.75 -0.61 116.25 120.27 3afa h VAL 95 Ca 0.35 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 3afa h VAL 95 Cb -0.13 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3afa h VAL 95 CO -0.08 0.34 0.20 0.03 0.02 0.00 0.00 177.57 178.09 3afa h ARG 96 N 0.87 1.14 -0.17 1.57 3.08 -0.09 -0.22 114.38 120.56 3afa h ARG 96 Ca 0.19 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3afa h ARG 96 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3afa h ARG 96 CO 0.00 0.99 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.42 3afa h LEU 97 N 1.09 0.40 0.05 3.04 3.38 -0.70 -3.36 115.31 119.21 3afa h LEU 97 Ca 0.23 -0.17 -0.35 0.00 0.09 0.00 0.00 57.88 57.68 3afa h LEU 97 Cb 0.34 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3afa h LEU 97 CO -0.00 0.76 -2.07 0.18 0.09 0.00 0.00 178.44 177.40 3afa n LEU 98 N -4.03 1.94 -4.85 1.67 4.77 -0.26 -4.97 117.00 111.27 3afa n LEU 98 Ca -0.01 0.17 -0.36 0.00 -0.03 0.00 0.00 56.01 55.77 3afa n LEU 98 Cb 0.49 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3afa n LEU 98 CO 0.43 0.71 0.08 -0.76 -1.33 0.00 0.00 177.39 176.52 3afa s LEU 99 N -6.51 4.41 0.41 2.23 1.43 -0.12 -5.06 118.68 115.47 3afa s LEU 99 Ca -0.19 0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 53.52 3afa s LEU 99 Cb 0.07 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 3afa s LEU 99 CO 0.76 0.25 1.12 -2.16 0.23 0.00 0.00 176.35 176.55 3afa s PRO 100 N -1.48 4.06 0.00 1.29 0.04 -1.26 -4.38 135.00 133.26 3afa s PRO 100 Ca 0.28 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3afa s PRO 100 Cb -0.15 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3afa s PRO 100 CO 0.15 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.32 3afa n GLY 101 N 0.51 0.00 0.35 0.56 0.00 -1.26 -0.68 105.19 104.66 3afa n GLY 101 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 3afa n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3afa h GLU 102 N 0.00 1.09 -0.71 1.61 4.57 -2.00 -1.41 114.58 117.73 3afa h GLU 102 Ca 0.00 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3afa h GLU 102 Cb 0.00 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 3afa h GLU 102 CO 0.00 0.80 0.36 1.25 -1.18 0.00 0.00 179.01 180.24 3afa h LEU 103 N 1.09 0.89 -0.32 1.64 5.85 -1.25 -2.15 115.31 121.07 3afa h LEU 103 Ca 0.28 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3afa h LEU 103 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3afa h LEU 103 CO -0.04 0.74 -0.17 0.00 -0.34 0.00 0.00 178.44 178.63 3afa h ALA 104 N 1.40 0.45 0.37 1.25 0.00 -0.44 -1.51 119.26 120.79 3afa h ALA 104 Ca 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3afa h ALA 104 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3afa h ALA 104 CO -0.04 0.36 -0.30 0.87 0.00 0.00 0.00 179.25 180.15 3afa h LYS 105 N 0.44 -0.65 -0.77 0.00 1.79 -0.89 -0.75 116.57 115.74 3afa h LYS 105 Ca 0.07 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 3afa h LYS 105 Cb 0.70 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 3afa h LYS 105 CO 0.05 -0.43 0.43 0.45 -1.08 0.00 0.00 179.45 178.86 3afa h HIS 106 N -0.68 1.06 -0.51 -1.35 3.86 -1.45 -0.04 115.15 116.04 3afa h HIS 106 Ca -0.03 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3afa h HIS 106 Cb 0.59 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3afa h HIS 106 CO -0.15 0.74 0.31 0.00 0.86 0.00 0.00 177.93 179.69 3afa h ALA 107 N 1.22 0.65 -0.43 2.45 0.00 -1.10 0.12 119.26 122.17 3afa h ALA 107 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3afa h ALA 107 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3afa h ALA 107 CO -0.04 0.13 0.28 0.28 0.00 0.00 0.00 179.25 179.89 3afa h VAL 108 N 0.68 1.12 -0.16 0.00 2.07 -0.78 0.16 116.25 119.34 3afa h VAL 108 Ca 0.18 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3afa h VAL 108 Cb -0.02 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3afa h VAL 108 CO -0.04 0.12 -0.05 -1.28 0.02 0.00 0.00 177.57 176.34 3afa h SER 109 N 0.58 -0.19 -0.18 0.57 0.87 -0.33 -0.79 113.55 114.08 3afa h SER 109 Ca 0.16 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3afa h SER 109 Cb -0.04 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3afa h SER 109 CO -0.03 -0.07 0.11 -0.33 -0.53 0.00 0.00 176.83 175.97 3afa h GLU 110 N -0.03 0.25 0.05 2.24 4.39 -0.44 -1.64 114.58 119.41 3afa h GLU 110 Ca 0.08 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3afa h GLU 110 Cb 0.15 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3afa h GLU 110 CO -0.18 0.23 -0.28 0.78 -1.16 0.00 0.00 179.01 178.40 3afa h GLY 111 N 0.20 -0.48 1.97 -3.84 0.00 -0.30 -0.49 103.07 100.13 3afa h GLY 111 Ca 0.07 0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 3afa h GLY 111 CO -0.01 -0.23 -0.28 -0.91 0.00 0.00 0.00 176.54 175.11 3afa h THR 112 N -0.46 1.21 -0.29 4.70 1.35 -1.14 -2.26 112.91 116.03 3afa h THR 112 Ca 0.05 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 3afa h THR 112 Cb 0.52 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3afa h THR 112 CO -0.21 0.29 0.11 0.50 -0.25 0.00 0.00 175.52 175.96 3afa h LYS 113 N 0.03 0.44 -0.26 4.72 3.64 -0.55 -0.04 116.57 124.55 3afa h LYS 113 Ca 0.00 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 3afa h LYS 113 Cb 0.52 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3afa h LYS 113 CO 0.04 0.46 -0.23 0.00 -2.27 0.00 0.00 179.45 177.45 3afa h ALA 114 N 0.96 1.12 -0.22 5.00 0.00 -0.83 -1.30 119.26 123.97 3afa h ALA 114 Ca 0.10 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 3afa h ALA 114 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3afa h ALA 114 CO -0.01 0.55 -0.60 0.28 0.00 0.00 0.00 179.25 179.47 3afa h VAL 115 N 0.44 1.29 0.74 0.00 2.07 -1.20 -0.77 116.25 118.82 3afa h VAL 115 Ca 0.07 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 3afa h VAL 115 Cb 0.64 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3afa h VAL 115 CO 0.05 0.58 -0.36 0.74 0.02 0.00 0.00 177.57 178.60 3afa h THR 116 N 0.56 0.27 -1.00 2.57 2.02 -0.76 -1.71 112.91 114.85 3afa h THR 116 Ca -0.00 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.26 3afa h THR 116 Cb 1.19 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.80 3afa h THR 116 CO 0.12 0.00 0.64 0.50 0.37 0.00 0.00 175.52 177.15 3afa h LYS 117 N -1.01 1.04 -0.15 6.66 3.64 -1.25 -1.83 116.57 123.66 3afa h LYS 117 Ca -0.10 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 3afa h LYS 117 Cb 0.77 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3afa h LYS 117 CO 0.17 0.69 -0.17 -0.92 -2.27 0.00 0.00 179.45 176.94 3afa h TYR 118 N 1.07 0.27 0.01 1.91 3.20 -0.90 -3.11 116.97 119.43 3afa h TYR 118 Ca 0.47 -0.04 -0.26 0.00 3.14 0.00 0.00 58.73 62.04 3afa h TYR 118 Cb 0.35 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3afa h TYR 118 CO -0.00 0.42 -1.37 1.15 -1.64 0.00 0.00 178.16 176.72 3afa h THR 119 N 0.24 1.27 0.00 1.81 2.02 -0.58 -3.39 112.91 114.28 3afa h THR 119 Ca 0.05 -3.04 0.00 0.00 0.77 0.00 0.00 66.41 64.19 3afa h THR 119 Cb 0.45 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3afa h THR 119 CO 0.03 0.75 0.00 -1.20 0.37 0.00 0.00 175.52 175.47 3afa n SER 120 N -3.23 0.00 -0.31 4.18 7.64 -0.76 -5.12 113.62 116.02 3afa n SER 120 Ca -0.09 0.96 0.04 0.00 1.01 0.00 0.00 58.87 60.79 3afa n SER 120 Cb 1.00 -0.46 0.03 0.00 -1.01 0.00 0.00 64.21 63.77 3afa n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03