#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afa n ARG 28 N 0.00 0.54 -1.46 1.97 3.00 -1.26 -5.08 116.66 114.37 3afa n ARG 28 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 3afa n ARG 28 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.02 3afa n ARG 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3afa n SER 29 N -4.40 -1.95 -4.76 6.15 7.64 -1.26 -5.03 113.62 110.01 3afa n SER 29 Ca -0.24 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.25 3afa n SER 29 Cb 0.61 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 3afa n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3afa s ARG 30 N -2.41 4.36 -0.18 1.43 1.70 -1.26 -5.06 118.95 117.53 3afa s ARG 30 Ca 0.00 0.82 0.01 0.00 -0.47 0.00 0.00 55.73 56.09 3afa s ARG 30 Cb 0.00 -3.34 0.02 0.00 -0.57 0.00 0.00 34.95 31.06 3afa s ARG 30 CO 0.00 0.36 -0.20 -1.59 -1.08 0.00 0.00 175.30 172.79 3afa s LYS 31 N -0.20 3.01 1.07 3.89 -2.85 -1.26 -5.12 119.74 118.28 3afa s LYS 31 Ca 0.33 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 54.35 3afa s LYS 31 Cb -0.19 -2.58 0.23 0.00 -2.06 0.00 0.00 37.83 33.23 3afa s LYS 31 CO 0.19 -0.19 1.06 -1.21 0.10 0.00 0.00 175.35 175.30 3afa s GLU 32 N 1.26 -0.17 0.14 1.78 2.02 -1.26 -5.07 118.70 117.41 3afa s GLU 32 Ca 0.04 0.90 -0.25 0.00 0.02 0.00 0.00 54.97 55.68 3afa s GLU 32 Cb -0.13 -1.64 0.07 0.00 0.10 0.00 0.00 34.13 32.53 3afa s GLU 32 CO -0.12 -3.24 0.98 0.45 0.02 0.00 0.00 175.26 173.36 3afa s SER 33 N -2.80 -0.16 0.00 -0.19 0.15 -1.26 -5.04 113.70 104.41 3afa s SER 33 Ca 0.67 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 57.11 3afa s SER 33 Cb -0.23 0.47 0.15 0.00 -1.71 0.00 0.00 66.02 64.70 3afa s SER 33 CO 0.62 -0.87 1.10 -1.22 1.20 0.00 0.00 173.24 174.07 3afa n TYR 34 N -0.48 0.01 -0.31 3.44 4.01 -1.26 -4.67 117.16 117.90 3afa n TYR 34 Ca -0.06 -0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.83 3afa n TYR 34 Cb 0.61 -0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.96 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 3.73 0.04 -0.62 7.72 0.02 -1.96 0.13 113.55 122.61 3afa h SER 35 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3afa h SER 35 Cb 0.79 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3afa h SER 35 CO 0.00 -0.18 0.41 0.40 -1.14 0.00 0.00 176.83 176.32 3afa h ILE 36 N 0.20 1.16 0.01 3.27 5.03 -1.99 0.95 117.51 126.14 3afa h ILE 36 Ca 0.59 -0.31 -0.25 0.00 -0.12 0.00 0.00 64.86 64.77 3afa h ILE 36 Cb 1.24 0.26 0.01 0.00 -3.03 0.00 0.00 36.82 35.30 3afa h ILE 36 CO -0.68 0.16 -1.02 1.88 -0.68 0.00 0.00 178.15 177.82 3afa h TYR 37 N 0.85 0.87 -0.16 1.37 0.05 -1.35 -2.08 116.97 116.52 3afa h TYR 37 Ca 0.23 -0.48 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 3afa h TYR 37 Cb -0.09 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3afa h TYR 37 CO -0.03 1.31 0.08 0.28 -1.05 0.00 0.00 178.16 178.75 3afa h VAL 38 N 0.33 1.13 -0.79 -2.88 2.07 -0.68 -1.83 116.25 113.60 3afa h VAL 38 Ca -0.11 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3afa h VAL 38 Cb 1.66 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 3afa h VAL 38 CO 0.19 0.12 0.48 0.22 0.02 0.00 0.00 177.57 178.60 3afa h TYR 39 N 0.13 0.89 -0.31 1.57 3.20 -0.79 -0.17 116.97 121.48 3afa h TYR 39 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3afa h TYR 39 Cb 0.13 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3afa h TYR 39 CO -0.02 0.46 0.17 0.87 -1.64 0.00 0.00 178.16 177.99 3afa h LYS 40 N 0.89 0.43 -0.12 1.82 1.57 -1.12 -2.00 116.57 118.04 3afa h LYS 40 Ca 0.34 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3afa h LYS 40 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3afa h LYS 40 CO -0.16 0.37 -0.11 0.28 -0.57 0.00 0.00 179.45 179.26 3afa h VAL 41 N 0.38 1.15 0.05 0.50 2.07 -0.82 -2.18 116.25 117.40 3afa h VAL 41 Ca 0.11 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3afa h VAL 41 Cb 0.06 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3afa h VAL 41 CO -0.02 0.20 -0.02 0.25 0.02 0.00 0.00 177.57 178.00 3afa h LEU 42 N 0.17 -0.06 -1.41 2.57 5.85 -0.53 -2.31 115.31 119.60 3afa h LEU 42 Ca 0.04 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3afa h LEU 42 Cb 0.31 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3afa h LEU 42 CO 0.02 0.13 0.47 0.11 -0.34 0.00 0.00 178.44 178.82 3afa h LYS 43 N -0.24 0.69 -0.32 1.25 1.79 -0.99 0.59 116.57 119.34 3afa h LYS 43 Ca -0.01 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 3afa h LYS 43 Cb 0.21 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3afa h LYS 43 CO 0.01 0.46 0.13 1.96 -1.08 0.00 0.00 179.45 180.93 3afa h GLN 44 N 0.71 0.48 0.06 3.15 4.20 -1.12 -2.11 115.11 120.48 3afa h GLN 44 Ca 0.31 -0.09 -0.28 0.00 0.06 0.00 0.00 58.65 58.66 3afa h GLN 44 Cb 0.29 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3afa h GLN 44 CO -0.10 0.48 -1.42 -0.39 -0.67 0.00 0.00 178.83 176.73 3afa h VAL 45 N 0.37 1.25 -2.14 -0.54 -1.51 -0.79 -3.41 116.25 109.48 3afa h VAL 45 Ca 0.11 -2.95 -0.53 0.00 -1.23 0.00 0.00 66.70 62.10 3afa h VAL 45 Cb 0.18 2.72 -0.35 0.00 -2.13 0.00 0.00 31.29 31.71 3afa h VAL 45 CO -0.01 0.80 -0.91 1.41 -1.23 0.00 0.00 177.57 177.62 3afa n HIS 46 N -3.35 -1.35 -0.32 5.19 8.25 0.20 -5.00 115.22 118.85 3afa n HIS 46 Ca -0.12 -3.03 0.28 0.00 -0.26 0.00 0.00 57.72 54.59 3afa n HIS 46 Cb 1.02 0.43 0.61 0.00 1.12 0.00 0.00 29.99 33.16 3afa n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3afa h PRO 47 N 5.47 0.21 0.00 -0.41 0.11 -1.52 -0.83 132.00 135.04 3afa h PRO 47 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3afa h PRO 47 Cb 0.94 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3afa h PRO 47 CO 0.32 0.14 -0.40 -0.40 -0.21 0.00 0.00 178.00 177.45 3afa n ASP 48 N -4.45 0.71 -4.84 -2.05 5.75 -1.26 -4.91 116.55 105.50 3afa n ASP 48 Ca 0.25 0.27 -0.37 0.00 -0.01 0.00 0.00 54.79 54.93 3afa n ASP 48 Cb 1.03 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.89 3afa n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3afa s THR 49 N -3.13 5.32 0.44 2.12 2.01 -0.32 -5.11 115.64 116.97 3afa s THR 49 Ca 0.08 0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.59 3afa s THR 49 Cb 0.13 -3.53 0.06 0.00 0.01 0.00 0.00 72.50 69.17 3afa s THR 49 CO 0.67 0.57 0.46 0.61 -0.69 0.00 0.00 174.62 176.24 3afa n GLY 50 N 2.17 2.42 3.02 4.40 0.00 -1.26 -4.78 105.19 111.15 3afa n GLY 50 Ca -0.17 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.96 -0.03 0.75 -0.61 2.07 -1.26 -5.15 121.20 115.00 3afa s ILE 51 Ca 0.35 0.11 -0.11 0.00 -1.41 0.00 0.00 60.65 59.59 3afa s ILE 51 Cb -0.03 -0.30 0.04 0.00 0.13 0.00 0.00 42.46 42.30 3afa s ILE 51 CO 0.22 0.04 1.08 -0.94 -1.91 0.00 0.00 174.94 173.43 3afa s SER 52 N 0.85 4.83 0.37 4.50 1.04 -1.26 -4.84 113.70 119.18 3afa s SER 52 Ca -0.06 1.63 0.06 0.00 0.48 0.00 0.00 55.95 58.06 3afa s SER 52 Cb -0.08 -2.42 0.71 0.00 0.10 0.00 0.00 66.02 64.34 3afa s SER 52 CO -0.05 -1.80 1.94 0.77 0.98 0.00 0.00 173.24 175.08 3afa h SER 53 N -0.97 0.43 -0.61 7.02 4.64 -2.01 -0.72 113.55 121.34 3afa h SER 53 Ca -0.45 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.73 3afa h SER 53 Cb 1.23 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3afa h SER 53 CO 0.55 0.46 0.05 0.11 -0.87 0.00 0.00 176.83 177.14 3afa h LYS 54 N 0.46 1.06 -0.43 4.77 1.57 -1.99 0.17 116.57 122.18 3afa h LYS 54 Ca 0.11 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 3afa h LYS 54 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3afa h LYS 54 CO 0.00 1.00 -0.25 0.00 -0.57 0.00 0.00 179.45 179.63 3afa h ALA 55 N 1.07 0.74 -0.32 3.86 0.00 -1.79 -1.16 119.26 121.66 3afa h ALA 55 Ca 0.19 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3afa h ALA 55 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3afa h ALA 55 CO 0.02 0.66 -0.15 1.98 0.00 0.00 0.00 179.25 181.77 3afa h MET 56 N 0.77 0.57 -0.27 0.00 1.85 -0.84 0.21 114.93 117.21 3afa h MET 56 Ca 0.10 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 3afa h MET 56 Cb 0.81 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 3afa h MET 56 CO 0.07 0.70 0.18 0.78 -0.40 0.00 0.00 176.91 178.23 3afa h GLY 57 N 0.96 0.38 0.90 1.39 0.00 -0.13 0.45 103.07 107.02 3afa h GLY 57 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3afa h GLY 57 CO 0.04 0.14 0.13 -2.22 0.00 0.00 0.00 176.54 174.62 3afa h ILE 58 N 0.36 1.00 -0.69 2.60 1.08 -0.60 -2.12 117.51 119.15 3afa h ILE 58 Ca 0.10 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 3afa h ILE 58 Cb -0.04 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 3afa h ILE 58 CO -0.02 0.05 0.45 0.24 -0.69 0.00 0.00 178.15 178.18 3afa h MET 59 N 0.27 0.73 -0.52 2.37 2.86 -0.39 -1.17 114.93 119.08 3afa h MET 59 Ca 0.10 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3afa h MET 59 Cb 0.02 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3afa h MET 59 CO -0.07 0.48 -0.08 -0.91 1.06 0.00 0.00 176.91 177.40 3afa h ASN 60 N 0.75 0.96 -0.76 1.22 4.21 -0.52 -2.14 115.58 119.30 3afa h ASN 60 Ca 0.29 -0.34 -0.05 0.00 1.21 0.00 0.00 56.30 57.41 3afa h ASN 60 Cb 0.18 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 3afa h ASN 60 CO -0.09 1.08 0.29 0.28 -1.29 0.00 0.00 177.43 177.70 3afa h SER 61 N 0.83 1.07 0.54 5.81 0.02 -0.69 -2.29 113.55 118.84 3afa h SER 61 Ca 0.14 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3afa h SER 61 Cb 0.63 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3afa h SER 61 CO 0.04 0.96 -0.27 0.15 -1.14 0.00 0.00 176.83 176.57 3afa h PHE 62 N 1.11 -0.71 -0.06 3.45 3.57 -1.07 0.36 116.94 123.59 3afa h PHE 62 Ca 0.25 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3afa h PHE 62 Cb 0.24 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3afa h PHE 62 CO 0.02 -0.44 -0.12 0.28 -2.23 0.00 0.00 178.31 175.82 3afa h VAL 63 N -0.75 0.67 -0.97 1.41 2.07 -1.35 -0.61 116.25 116.72 3afa h VAL 63 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3afa h VAL 63 Cb 0.58 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3afa h VAL 63 CO 0.11 0.00 0.63 0.78 0.02 0.00 0.00 177.57 179.11 3afa h ASN 64 N -0.18 0.98 0.51 0.57 2.35 -1.36 0.88 115.58 119.33 3afa h ASN 64 Ca 0.06 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3afa h ASN 64 Cb 0.27 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.45 3afa h ASN 64 CO -0.16 0.61 -0.25 -0.78 -1.65 0.00 0.00 177.43 175.20 3afa h ASP 65 N 1.10 -0.58 0.12 5.81 3.58 -0.23 -1.90 116.42 124.32 3afa h ASP 65 Ca 0.43 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 3afa h ASP 65 Cb 0.23 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3afa h ASP 65 CO -0.18 -0.28 -0.17 0.40 -2.88 0.00 0.00 179.24 176.14 3afa h ILE 66 N -0.89 1.15 0.23 2.25 5.03 -0.95 -0.81 117.51 123.52 3afa h ILE 66 Ca -0.07 -0.71 -0.01 0.00 -0.12 0.00 0.00 64.86 63.96 3afa h ILE 66 Cb 0.60 1.30 -0.00 0.00 -3.03 0.00 0.00 36.82 35.69 3afa h ILE 66 CO 0.12 0.21 -0.14 0.15 -0.68 0.00 0.00 178.15 177.81 3afa h PHE 67 N 0.09 -0.36 -0.45 1.37 3.57 -0.73 -0.71 116.94 119.72 3afa h PHE 67 Ca 0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3afa h PHE 67 Cb 0.35 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3afa h PHE 67 CO 0.00 -0.22 0.28 1.49 -2.23 0.00 0.00 178.31 177.63 3afa h GLU 68 N -0.36 0.55 -0.28 1.11 4.22 -0.63 0.12 114.58 119.31 3afa h GLU 68 Ca -0.02 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.40 3afa h GLU 68 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3afa h GLU 68 CO 0.02 0.36 0.13 0.00 -2.18 0.00 0.00 179.01 177.35 3afa h ARG 69 N 0.56 0.28 -0.09 1.92 3.08 -1.05 0.50 114.38 119.58 3afa h ARG 69 Ca 0.17 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3afa h ARG 69 Cb -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3afa h ARG 69 CO -0.06 0.18 0.02 0.82 -1.07 0.00 0.00 179.97 179.86 3afa h ILE 70 N 0.29 1.22 -0.35 2.04 1.08 -0.74 -0.34 117.51 120.70 3afa h ILE 70 Ca 0.12 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3afa h ILE 70 Cb 0.04 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 3afa h ILE 70 CO -0.08 0.19 0.18 0.00 -0.69 0.00 0.00 178.15 177.75 3afa h ALA 71 N 0.78 0.45 -0.23 1.87 0.00 -0.64 0.17 119.26 121.67 3afa h ALA 71 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3afa h ALA 71 Cb 0.29 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3afa h ALA 71 CO 0.00 0.00 -0.09 0.78 0.00 0.00 0.00 179.25 179.95 3afa h GLY 72 N 0.44 0.12 1.25 0.00 0.00 0.11 0.37 103.07 105.36 3afa h GLY 72 Ca 0.12 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 3afa h GLY 72 CO -0.02 -0.11 0.13 -2.09 0.00 0.00 0.00 176.54 174.45 3afa h GLU 73 N -0.05 0.93 -0.69 4.80 4.57 -0.76 -1.80 114.58 121.59 3afa h GLU 73 Ca 0.12 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 3afa h GLU 73 Cb 0.22 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3afa h GLU 73 CO -0.26 0.84 0.16 0.00 -1.18 0.00 0.00 179.01 178.57 3afa h ALA 74 N 1.25 0.91 -0.35 2.92 0.00 0.28 -1.08 119.26 123.19 3afa h ALA 74 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3afa h ALA 74 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3afa h ALA 74 CO 0.00 0.63 0.23 1.03 0.00 0.00 0.00 179.25 181.14 3afa h SER 75 N 1.04 0.41 0.16 0.00 0.87 0.08 -1.27 113.55 114.82 3afa h SER 75 Ca 0.22 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3afa h SER 75 Cb 0.38 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3afa h SER 75 CO 0.00 0.30 -0.07 0.03 -0.53 0.00 0.00 176.83 176.56 3afa h ARG 76 N 0.47 -0.20 -0.58 2.24 3.08 -1.17 -1.94 114.38 116.28 3afa h ARG 76 Ca 0.13 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.31 3afa h ARG 76 Cb -0.04 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 3afa h ARG 76 CO -0.03 0.01 -0.04 1.25 -1.07 0.00 0.00 179.97 180.10 3afa h LEU 77 N -0.39 -0.33 -0.91 3.04 5.85 -1.08 0.20 115.31 121.69 3afa h LEU 77 Ca -0.02 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3afa h LEU 77 Cb 0.31 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3afa h LEU 77 CO 0.04 -0.13 0.16 0.00 -0.34 0.00 0.00 178.44 178.16 3afa h ALA 78 N 1.54 1.11 -0.39 1.25 0.00 -1.14 -2.62 119.26 119.02 3afa h ALA 78 Ca 0.30 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3afa h ALA 78 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3afa h ALA 78 CO -0.53 0.60 -0.02 1.25 0.00 0.00 0.00 179.25 180.55 3afa h HIS 79 N 0.92 0.76 0.00 0.00 -0.00 -0.25 -0.11 115.15 116.47 3afa h HIS 79 Ca 0.20 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3afa h HIS 79 Cb 0.32 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 3afa h HIS 79 CO 0.02 0.79 -0.00 1.88 -0.00 0.00 0.00 177.93 180.62 3afa h TYR 80 N 0.51 0.00 -0.72 5.26 0.05 -0.40 -2.24 116.97 119.44 3afa h TYR 80 Ca 0.11 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.51 3afa h TYR 80 Cb 0.50 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.02 3afa h TYR 80 CO 0.04 0.00 0.32 0.09 -1.05 0.00 0.00 178.16 177.57 3afa n ASN 81 N -3.82 3.32 -1.73 3.88 3.02 -0.94 -4.93 115.26 114.06 3afa n ASN 81 Ca -0.03 -3.70 -0.06 0.00 -0.03 0.00 0.00 54.58 50.76 3afa n ASN 81 Cb 0.09 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.49 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 -1.13 -1.76 -3.72 3.52 4.76 -0.84 -4.89 118.16 114.09 3afa n LYS 82 Ca 0.48 0.33 -0.36 0.00 -2.87 0.00 0.00 58.31 55.90 3afa n LYS 82 Cb 1.36 -4.63 -0.07 0.00 -1.84 0.00 0.00 35.03 29.84 3afa n LYS 82 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3afa s ARG 83 N -3.58 4.02 0.00 1.97 0.52 -0.10 -4.98 118.95 116.81 3afa s ARG 83 Ca 0.00 -0.12 0.27 0.00 -0.52 0.00 0.00 55.73 55.36 3afa s ARG 83 Cb 0.00 -3.36 0.88 0.00 0.52 0.00 0.00 34.95 32.99 3afa s ARG 83 CO 0.00 0.41 1.64 -1.13 0.02 0.00 0.00 175.30 176.24 3afa n SER 84 N 3.12 1.32 -4.05 0.23 3.41 -1.26 -4.23 113.62 112.16 3afa n SER 84 Ca -0.16 -1.23 -0.22 0.00 -0.26 0.00 0.00 58.87 57.00 3afa n SER 84 Cb 0.53 0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.24 1.01 -0.29 6.66 -1.32 -1.26 -5.11 115.64 113.09 3afa s THR 85 Ca 0.31 -0.50 -0.18 0.00 -1.21 0.00 0.00 61.69 60.11 3afa s THR 85 Cb 0.20 -0.88 -0.02 0.00 -1.51 0.00 0.00 72.50 70.30 3afa s THR 85 CO 0.42 0.30 0.52 -0.63 -2.21 0.00 0.00 174.62 173.03 3afa s ILE 86 N 0.06 5.04 0.47 5.08 1.01 -1.26 -4.96 121.20 126.64 3afa s ILE 86 Ca -0.02 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.40 3afa s ILE 86 Cb -0.09 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3afa s ILE 86 CO 0.01 -0.03 0.27 0.42 0.00 0.00 0.00 174.94 175.61 3afa s THR 87 N 2.37 1.98 0.60 2.92 -4.23 -1.26 -4.97 115.64 113.05 3afa s THR 87 Ca 0.21 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 3afa s THR 87 Cb -0.15 -2.58 0.36 0.00 1.34 0.00 0.00 72.50 71.47 3afa s THR 87 CO 0.11 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 176.89 3afa h SER 88 N 1.11 0.00 -0.06 3.99 4.64 -1.99 0.11 113.55 121.34 3afa h SER 88 Ca -0.40 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 3afa h SER 88 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3afa h SER 88 CO 0.64 0.00 -0.52 -0.09 -0.87 0.00 0.00 176.83 175.99 3afa h ARG 89 N 0.00 0.63 -0.27 4.77 2.43 -1.99 -0.55 114.38 119.41 3afa h ARG 89 Ca 0.16 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 3afa h ARG 89 Cb 0.99 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3afa h ARG 89 CO -0.00 1.00 -0.11 0.93 -1.51 0.00 0.00 179.97 180.28 3afa h GLU 90 N 0.50 0.54 -0.96 0.20 3.07 -1.18 -2.09 114.58 114.66 3afa h GLU 90 Ca 0.02 -0.23 0.04 0.00 -0.50 0.00 0.00 59.36 58.69 3afa h GLU 90 Cb 1.07 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.90 3afa h GLU 90 CO 0.10 0.78 0.62 0.82 -1.40 0.00 0.00 179.01 179.94 3afa h ILE 91 N 0.28 1.15 -0.07 3.13 1.08 -1.36 0.21 117.51 121.93 3afa h ILE 91 Ca 0.06 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 3afa h ILE 91 Cb 0.61 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3afa h ILE 91 CO 0.03 0.22 0.02 -0.61 -0.69 0.00 0.00 178.15 177.13 3afa h GLN 92 N 1.20 0.11 -0.07 2.37 4.15 -0.87 0.89 115.11 122.88 3afa h GLN 92 Ca 0.39 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.69 3afa h GLN 92 Cb 0.02 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3afa h GLN 92 CO -0.13 0.27 -0.40 0.00 -1.93 0.00 0.00 178.83 176.64 3afa h THR 93 N -0.07 1.30 -0.38 2.39 1.03 -1.04 -1.35 112.91 114.80 3afa h THR 93 Ca 0.02 -1.45 -0.05 0.00 -0.01 0.00 0.00 66.41 64.93 3afa h THR 93 Cb 0.20 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 68.96 3afa h THR 93 CO -0.00 0.43 0.04 0.00 -0.01 0.00 0.00 175.52 175.98 3afa h ALA 94 N 1.47 0.51 -0.93 0.00 0.00 -0.31 -1.42 119.26 118.58 3afa h ALA 94 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3afa h ALA 94 Cb 0.76 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3afa h ALA 94 CO 0.06 0.24 0.59 0.28 0.00 0.00 0.00 179.25 180.42 3afa h VAL 95 N 0.48 1.25 -0.20 0.00 2.07 -0.33 0.60 116.25 120.11 3afa h VAL 95 Ca 0.11 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3afa h VAL 95 Cb 0.40 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3afa h VAL 95 CO 0.01 0.24 -0.32 0.03 0.02 0.00 0.00 177.57 177.55 3afa h ARG 96 N 1.27 0.42 -0.19 1.57 3.08 -0.92 -0.50 114.38 119.11 3afa h ARG 96 Ca 0.34 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 3afa h ARG 96 Cb -0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3afa h ARG 96 CO -0.07 0.70 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.96 3afa h LEU 97 N 0.36 0.77 0.05 3.04 3.38 -0.64 -3.37 115.31 118.91 3afa h LEU 97 Ca 0.05 -0.58 -0.18 0.00 0.09 0.00 0.00 57.88 57.26 3afa h LEU 97 Cb 0.75 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.29 3afa h LEU 97 CO 0.06 1.21 -0.73 -0.07 0.09 0.00 0.00 178.44 178.99 3afa h LEU 98 N 0.36 0.55 -9.86 1.67 -0.00 -0.78 -3.47 115.31 103.79 3afa h LEU 98 Ca -0.01 -0.83 -0.55 0.00 -0.00 0.00 0.00 57.88 56.49 3afa h LEU 98 Cb 1.11 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.57 3afa h LEU 98 CO 0.11 1.31 -0.09 -0.76 -0.00 0.00 0.00 178.44 179.02 3afa s LEU 99 N -8.15 4.31 0.44 1.67 1.43 -0.21 -5.07 118.68 113.10 3afa s LEU 99 Ca -0.13 1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.87 3afa s LEU 99 Cb 0.03 -3.33 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 3afa s LEU 99 CO 0.84 0.08 0.88 -2.16 0.23 0.00 0.00 176.35 176.22 3afa s PRO 100 N -2.08 3.98 0.00 1.29 0.04 -1.26 -4.55 135.00 132.43 3afa s PRO 100 Ca 0.39 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3afa s PRO 100 Cb -0.14 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3afa s PRO 100 CO 0.19 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.56 3afa n GLY 101 N -1.08 0.00 0.37 0.56 0.00 -1.26 -1.66 105.19 102.11 3afa n GLY 101 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.28 3afa n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3afa h GLU 102 N 0.00 0.45 -0.91 1.61 4.39 -2.00 0.14 114.58 118.26 3afa h GLU 102 Ca 0.00 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3afa h GLU 102 Cb 0.00 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3afa h GLU 102 CO 0.00 0.30 0.59 1.25 -1.16 0.00 0.00 179.01 179.99 3afa h LEU 103 N 0.46 1.00 0.57 1.33 5.85 -1.69 -2.05 115.31 120.79 3afa h LEU 103 Ca 0.65 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.33 3afa h LEU 103 Cb 1.44 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.25 3afa h LEU 103 CO -0.44 0.70 -0.28 0.00 -0.34 0.00 0.00 178.44 178.08 3afa h ALA 104 N 1.36 -0.77 -0.75 1.25 0.00 -0.47 -1.27 119.26 118.61 3afa h ALA 104 Ca 0.35 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3afa h ALA 104 Cb -0.04 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 3afa h ALA 104 CO -0.10 -0.81 -0.11 0.87 0.00 0.00 0.00 179.25 179.09 3afa h LYS 105 N -1.00 0.03 -0.44 0.00 1.57 -1.27 0.22 116.57 115.67 3afa h LYS 105 Ca -0.08 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3afa h LYS 105 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3afa h LYS 105 CO 0.13 0.02 -0.29 0.45 -0.57 0.00 0.00 179.45 179.19 3afa h HIS 106 N 0.03 1.15 -0.58 -1.35 3.86 -1.39 -2.21 115.15 114.67 3afa h HIS 106 Ca 0.38 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3afa h HIS 106 Cb 0.63 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3afa h HIS 106 CO -0.53 1.14 0.28 0.00 0.86 0.00 0.00 177.93 179.68 3afa h ALA 107 N 0.83 0.74 -0.86 2.45 0.00 0.22 -1.66 119.26 120.98 3afa h ALA 107 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3afa h ALA 107 Cb 0.88 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3afa h ALA 107 CO 0.08 0.31 0.48 0.28 0.00 0.00 0.00 179.25 180.40 3afa h VAL 108 N 0.78 1.25 -0.32 0.00 2.07 -0.62 -0.77 116.25 118.63 3afa h VAL 108 Ca 0.20 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3afa h VAL 108 Cb 0.12 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3afa h VAL 108 CO -0.02 0.27 0.07 0.28 0.02 0.00 0.00 177.57 178.18 3afa h SER 109 N 1.19 0.50 -0.42 0.57 0.02 -1.00 0.25 113.55 114.66 3afa h SER 109 Ca 0.30 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3afa h SER 109 Cb 0.01 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3afa h SER 109 CO -0.05 0.62 0.21 -0.33 -1.14 0.00 0.00 176.83 176.13 3afa h GLU 110 N 0.36 0.60 0.29 3.45 4.39 -1.11 0.12 114.58 122.67 3afa h GLU 110 Ca 0.10 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3afa h GLU 110 Cb 0.32 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3afa h GLU 110 CO 0.00 0.51 -0.14 0.78 -1.16 0.00 0.00 179.01 179.01 3afa h GLY 111 N 0.54 -0.41 0.45 -3.84 0.00 -1.02 0.84 103.07 99.62 3afa h GLY 111 Ca 0.14 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.69 3afa h GLY 111 CO -0.02 -0.15 0.06 -0.84 0.00 0.00 0.00 176.54 175.59 3afa h THR 112 N -0.48 0.76 0.02 4.70 2.02 -0.87 -1.12 112.91 117.93 3afa h THR 112 Ca -0.04 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3afa h THR 112 Cb 0.36 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3afa h THR 112 CO 0.07 0.03 -0.17 0.50 0.37 0.00 0.00 175.52 176.32 3afa h LYS 113 N 0.18 -0.28 -0.95 6.66 3.64 -0.77 -1.16 116.57 123.89 3afa h LYS 113 Ca 0.20 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 3afa h LYS 113 Cb 0.26 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3afa h LYS 113 CO -0.28 -0.19 0.62 0.00 -2.27 0.00 0.00 179.45 177.33 3afa h ALA 114 N 0.61 1.48 0.34 5.00 0.00 -0.32 0.28 119.26 126.65 3afa h ALA 114 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3afa h ALA 114 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3afa h ALA 114 CO -0.15 0.37 -0.16 0.28 0.00 0.00 0.00 179.25 179.58 3afa h VAL 115 N 1.08 0.61 -0.96 0.00 2.07 -0.64 0.11 116.25 118.53 3afa h VAL 115 Ca 0.42 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.45 3afa h VAL 115 Cb 0.22 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3afa h VAL 115 CO -0.17 0.10 0.59 0.71 0.02 0.00 0.00 177.57 178.83 3afa h THR 116 N -0.82 0.95 0.47 2.57 1.35 -1.07 0.25 112.91 116.62 3afa h THR 116 Ca -0.05 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 3afa h THR 116 Cb 0.52 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3afa h THR 116 CO 0.08 0.18 -0.23 0.50 -0.25 0.00 0.00 175.52 175.80 3afa h LYS 117 N 0.98 -0.61 -0.78 4.72 3.64 -0.82 0.22 116.57 123.90 3afa h LYS 117 Ca 0.46 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 60.04 3afa h LYS 117 Cb 0.39 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 3afa h LYS 117 CO -0.24 -0.37 0.30 -0.92 -2.27 0.00 0.00 179.45 175.95 3afa h TYR 118 N -0.72 0.51 -0.03 1.91 3.20 0.26 0.43 116.97 122.55 3afa h TYR 118 Ca -0.07 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.59 3afa h TYR 118 Cb 0.53 -0.11 0.02 0.00 1.54 0.00 0.00 36.73 38.71 3afa h TYR 118 CO -0.03 0.03 -0.99 1.79 -1.64 0.00 0.00 178.16 177.32 3afa h THR 119 N 0.42 1.29 0.00 1.81 1.35 -0.39 -2.64 112.91 114.74 3afa h THR 119 Ca 0.44 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3afa h THR 119 Cb 0.72 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3afa h THR 119 CO -0.44 0.69 0.00 -1.20 -0.25 0.00 0.00 175.52 174.31 3afa n SER 120 N -3.86 0.05 0.00 5.36 7.64 0.75 -4.61 113.62 118.96 3afa n SER 120 Ca -0.10 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.37 3afa n SER 120 Cb 0.86 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 3afa n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3afa n ALA 121 N -0.26 0.00 0.00 -0.43 0.00 -1.00 -5.03 120.51 113.80 3afa n ALA 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3afa n ALA 121 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3afa n ALA 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13