#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afa s LYS 20 N 0.00 0.67 0.10 -0.14 2.47 -1.26 -5.14 119.74 116.44 3afa s LYS 20 Ca 0.00 1.24 -0.36 0.00 -1.56 0.00 0.00 55.97 55.29 3afa s LYS 20 Cb 0.00 0.27 -0.16 0.00 -1.46 0.00 0.00 37.83 36.48 3afa s LYS 20 CO 0.00 -0.16 1.36 0.28 0.16 0.00 0.00 175.35 176.99 3afa n VAL 21 N 4.50 0.04 -3.63 4.02 0.31 -1.26 -4.96 118.33 117.35 3afa n VAL 21 Ca -0.18 -0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.76 3afa n VAL 21 Cb 0.57 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.49 3afa n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3afa s LEU 22 N 0.53 3.90 -0.04 7.52 1.43 -1.26 -5.08 118.68 125.68 3afa s LEU 22 Ca 0.83 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.76 3afa s LEU 22 Cb -0.92 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 43.24 3afa s LEU 22 CO 0.46 -0.05 0.22 -0.13 0.23 0.00 0.00 176.35 177.08 3afa s ARG 23 N 1.72 0.44 -1.59 1.70 0.52 -1.26 -4.93 118.95 115.56 3afa s ARG 23 Ca 0.07 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 3afa s ARG 23 Cb -0.16 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.51 3afa s ARG 23 CO 0.09 -0.10 0.00 -3.47 0.02 0.00 0.00 175.30 171.84 3afa n ASP 24 N 2.01 -4.09 0.14 0.23 2.03 -1.26 -4.82 116.55 110.79 3afa n ASP 24 Ca -0.18 0.37 0.10 0.00 0.52 0.00 0.00 54.79 55.59 3afa n ASP 24 Cb 0.57 -3.70 0.52 0.00 -0.72 0.00 0.00 41.12 37.79 3afa n ASP 24 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3afa n ASN 25 N -0.73 0.50 0.24 1.67 3.02 -1.26 -1.53 115.26 117.18 3afa n ASN 25 Ca -0.15 0.73 0.07 0.00 -0.03 0.00 0.00 54.58 55.20 3afa n ASN 25 Cb 0.50 -0.80 0.57 0.00 -0.61 0.00 0.00 39.78 39.45 3afa n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3afa h ILE 26 N 0.00 1.06 0.00 2.41 6.09 -1.98 0.23 117.51 125.32 3afa h ILE 26 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3afa h ILE 26 Cb 0.02 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.47 3afa h ILE 26 CO 0.00 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.17 3afa n GLN 27 N -4.43 0.32 0.12 2.19 1.13 -0.58 -1.41 117.38 114.72 3afa n GLN 27 Ca -0.03 0.09 0.12 0.00 -1.94 0.00 0.00 57.00 55.25 3afa n GLN 27 Cb 0.17 -1.50 0.46 0.00 0.11 0.00 0.00 30.24 29.48 3afa n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3afa n GLY 28 N 0.26 -1.46 3.44 1.08 0.00 0.79 -3.96 105.19 105.35 3afa n GLY 28 Ca 0.10 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3afa n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3afa s ILE 29 N -3.24 4.86 0.90 -0.61 -1.09 -0.50 -4.99 121.20 116.52 3afa s ILE 29 Ca 0.07 -1.86 -0.11 0.00 -2.23 0.00 0.00 60.65 56.51 3afa s ILE 29 Cb 0.10 -4.79 0.13 0.00 -1.58 0.00 0.00 42.46 36.33 3afa s ILE 29 CO 0.48 -1.50 1.09 0.42 -1.23 0.00 0.00 174.94 174.20 3afa s THR 30 N 2.27 2.66 0.12 2.92 -4.23 -1.25 -4.84 115.64 113.29 3afa s THR 30 Ca 0.34 0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 60.85 3afa s THR 30 Cb -0.05 -2.63 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 3afa s THR 30 CO -0.08 -0.28 1.71 0.50 -0.54 0.00 0.00 174.62 175.93 3afa h LYS 31 N -1.59 -0.03 -0.35 3.99 3.64 -1.94 -1.29 116.57 119.00 3afa h LYS 31 Ca -0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3afa h LYS 31 Cb 1.28 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3afa h LYS 31 CO 0.53 -0.02 0.16 -1.00 -2.27 0.00 0.00 179.45 176.85 3afa h PRO 32 N -0.04 0.48 -0.22 1.90 0.13 -1.99 -0.20 132.00 132.06 3afa h PRO 32 Ca 0.06 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 3afa h PRO 32 Cb 0.13 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 3afa h PRO 32 CO -0.14 0.38 -0.47 0.00 -0.23 0.00 0.00 178.00 177.53 3afa h ALA 33 N 1.70 0.76 -0.13 -0.56 0.00 -1.81 -1.32 119.26 117.90 3afa h ALA 33 Ca 0.12 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3afa h ALA 33 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3afa h ALA 33 CO -0.02 0.67 -0.58 0.82 0.00 0.00 0.00 179.25 180.14 3afa h ILE 34 N 0.47 1.35 -0.23 0.00 2.04 -0.69 -2.24 117.51 118.21 3afa h ILE 34 Ca 0.03 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 3afa h ILE 34 Cb 1.00 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3afa h ILE 34 CO 0.09 0.57 0.07 -0.09 0.00 0.00 0.00 178.15 178.80 3afa h ARG 35 N 0.32 0.35 -0.50 2.37 2.43 -0.88 -0.94 114.38 117.53 3afa h ARG 35 Ca -0.00 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3afa h ARG 35 Cb 1.11 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3afa h ARG 35 CO 0.10 0.43 0.23 0.00 -1.51 0.00 0.00 179.97 179.22 3afa h ARG 36 N 0.20 0.44 -0.82 0.20 3.08 -1.14 0.61 114.38 116.95 3afa h ARG 36 Ca 0.07 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3afa h ARG 36 Cb 0.22 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3afa h ARG 36 CO -0.00 0.29 0.42 -0.07 -1.07 0.00 0.00 179.97 179.53 3afa h LEU 37 N 0.45 1.05 -1.02 3.04 3.38 -1.16 -0.97 115.31 120.07 3afa h LEU 37 Ca 0.23 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3afa h LEU 37 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3afa h LEU 37 CO -0.18 0.87 -0.40 0.00 0.09 0.00 0.00 178.44 178.81 3afa h ALA 38 N 1.30 1.18 -0.03 1.53 0.00 -0.22 -1.67 119.26 121.35 3afa h ALA 38 Ca 0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3afa h ALA 38 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3afa h ALA 38 CO -0.04 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.78 3afa h ARG 39 N 0.15 0.04 0.00 0.00 2.47 0.11 0.20 114.38 117.34 3afa h ARG 39 Ca 0.01 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3afa h ARG 39 Cb 0.77 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 3afa h ARG 39 CO 0.06 0.22 -0.06 -0.09 0.56 0.00 0.00 179.97 180.65 3afa h ARG 40 N -0.14 0.00 -0.04 0.04 2.43 -1.07 0.12 114.38 115.71 3afa h ARG 40 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3afa h ARG 40 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3afa h ARG 40 CO -0.00 0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 3afa n GLY 41 N -1.23 -0.61 1.52 2.80 0.00 -0.57 -4.90 105.19 102.21 3afa n GLY 41 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3afa n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afa n GLY 42 N 0.92 0.57 3.71 -0.02 0.00 0.43 -5.03 105.19 105.77 3afa n GLY 42 Ca 0.16 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3afa n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afa s VAL 43 N -2.00 5.10 -0.16 1.61 1.01 0.59 -4.97 120.40 121.57 3afa s VAL 43 Ca 0.00 1.21 -0.09 0.00 0.00 0.00 0.00 61.98 63.10 3afa s VAL 43 Cb 0.00 -3.94 -0.23 0.00 0.00 0.00 0.00 36.38 32.21 3afa s VAL 43 CO 0.00 0.27 0.23 1.17 0.00 0.00 0.00 175.10 176.77 3afa n LYS 44 N 3.88 0.70 -4.81 2.72 4.81 -1.26 -4.33 118.16 119.87 3afa n LYS 44 Ca -0.04 0.31 -0.24 0.00 -0.87 0.00 0.00 58.31 57.47 3afa n LYS 44 Cb 0.51 -1.68 -0.15 0.00 0.02 0.00 0.00 35.03 33.73 3afa n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3afa s ARG 45 N -2.51 1.38 -0.12 1.64 3.52 -1.26 -5.12 118.95 116.47 3afa s ARG 45 Ca -0.26 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 3afa s ARG 45 Cb 0.07 -1.33 0.02 0.00 -1.56 0.00 0.00 34.95 32.15 3afa s ARG 45 CO 0.70 0.37 -0.09 0.42 -0.81 0.00 0.00 175.30 175.89 3afa s ILE 46 N -0.40 1.13 0.53 4.11 1.01 -1.26 -5.13 121.20 121.19 3afa s ILE 46 Ca 0.07 -0.36 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 3afa s ILE 46 Cb -0.07 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 3afa s ILE 46 CO -0.01 0.38 1.19 -0.94 0.00 0.00 0.00 174.94 175.56 3afa s SER 47 N 1.67 5.65 0.62 3.58 1.04 -1.26 -4.90 113.70 120.10 3afa s SER 47 Ca 0.05 2.34 0.31 0.00 0.48 0.00 0.00 55.95 59.13 3afa s SER 47 Cb -0.13 -2.60 1.70 0.00 0.10 0.00 0.00 66.02 65.09 3afa s SER 47 CO -0.09 -1.28 2.03 1.23 0.98 0.00 0.00 173.24 176.11 3afa h GLY 48 N 1.39 0.00 0.55 7.32 0.00 -2.06 -1.86 103.07 108.42 3afa h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3afa h GLY 48 CO 0.57 0.00 -0.14 1.04 0.00 0.00 0.00 176.54 178.02 3afa n LEU 49 N -3.39 0.73 -0.23 3.11 4.77 -1.26 -4.15 117.00 116.58 3afa n LEU 49 Ca 0.01 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 3afa n LEU 49 Cb 0.39 -0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3afa n LEU 49 CO 0.22 0.13 1.00 0.40 -1.33 0.00 0.00 177.39 177.81 3afa h ILE 50 N 0.93 1.25 -0.73 -0.08 1.08 -1.70 -3.00 117.51 115.26 3afa h ILE 50 Ca 0.00 -0.87 0.04 0.00 -0.39 0.00 0.00 64.86 63.64 3afa h ILE 50 Cb 0.40 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 3afa h ILE 50 CO 0.00 0.34 0.46 1.88 -0.69 0.00 0.00 178.15 180.13 3afa h TYR 51 N 1.02 0.85 -0.09 1.37 0.05 -1.80 0.65 116.97 119.03 3afa h TYR 51 Ca 0.22 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.83 3afa h TYR 51 Cb 0.29 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.75 3afa h TYR 51 CO 0.02 0.48 -0.77 0.93 -1.05 0.00 0.00 178.16 177.77 3afa h GLU 52 N 0.88 0.52 -0.30 4.88 4.39 -1.83 -2.58 114.58 120.54 3afa h GLU 52 Ca 0.30 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3afa h GLU 52 Cb 0.05 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3afa h GLU 52 CO -0.12 1.07 0.16 0.93 -1.16 0.00 0.00 179.01 179.89 3afa h GLU 53 N 0.35 0.42 -0.57 2.33 4.39 -1.30 -2.33 114.58 117.86 3afa h GLU 53 Ca -0.04 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.65 3afa h GLU 53 Cb 1.37 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 3afa h GLU 53 CO 0.14 0.36 0.31 1.15 -1.16 0.00 0.00 179.01 179.81 3afa h THR 54 N 0.36 0.99 -0.67 1.13 2.02 -0.88 -1.24 112.91 114.63 3afa h THR 54 Ca 0.10 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.10 3afa h THR 54 Cb 0.06 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3afa h THR 54 CO -0.02 0.11 0.42 0.03 0.37 0.00 0.00 175.52 176.43 3afa h ARG 55 N 0.61 0.80 -0.69 6.66 3.08 -1.26 0.26 114.38 123.84 3afa h ARG 55 Ca 0.25 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3afa h ARG 55 Cb 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3afa h ARG 55 CO -0.15 0.53 0.36 0.78 -1.07 0.00 0.00 179.97 180.42 3afa h GLY 56 N 0.82 1.04 1.00 0.04 0.00 -0.82 -0.08 103.07 105.07 3afa h GLY 56 Ca 0.27 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3afa h GLY 56 CO -0.10 0.47 -0.24 -2.08 0.00 0.00 0.00 176.54 174.59 3afa h VAL 57 N 0.94 1.29 -0.29 4.60 2.07 -0.77 -2.19 116.25 121.91 3afa h VAL 57 Ca 0.24 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3afa h VAL 57 Cb 0.07 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3afa h VAL 57 CO -0.04 0.45 0.17 0.25 0.02 0.00 0.00 177.57 178.43 3afa h LEU 58 N 0.56 0.29 -0.67 2.57 5.85 -0.22 -0.76 115.31 122.92 3afa h LEU 58 Ca 0.07 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3afa h LEU 58 Cb 0.80 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3afa h LEU 58 CO 0.06 0.21 0.43 0.50 -0.34 0.00 0.00 178.44 179.31 3afa h LYS 59 N 0.36 0.85 -0.47 1.25 3.64 -0.95 0.32 116.57 121.56 3afa h LYS 59 Ca 0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3afa h LYS 59 Cb -0.01 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3afa h LYS 59 CO -0.05 0.56 0.20 0.28 -2.27 0.00 0.00 179.45 178.18 3afa h VAL 60 N 0.87 1.20 -0.18 2.00 2.07 -1.14 0.38 116.25 121.45 3afa h VAL 60 Ca 0.26 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3afa h VAL 60 Cb -0.05 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3afa h VAL 60 CO -0.08 0.22 0.11 0.15 0.02 0.00 0.00 177.57 178.00 3afa h PHE 61 N 0.61 0.24 -0.57 1.57 3.57 -0.40 -2.50 116.94 119.46 3afa h PHE 61 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3afa h PHE 61 Cb 0.16 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3afa h PHE 61 CO -0.00 0.20 0.22 -0.07 -2.23 0.00 0.00 178.31 176.43 3afa h LEU 62 N 0.21 0.79 -0.11 0.59 3.38 -0.20 -2.60 115.31 117.37 3afa h LEU 62 Ca 0.06 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3afa h LEU 62 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3afa h LEU 62 CO -0.01 0.75 -0.03 -0.33 0.09 0.00 0.00 178.44 178.91 3afa h GLU 63 N 0.79 -0.00 -0.77 1.13 5.08 -0.81 0.84 114.58 120.84 3afa h GLU 63 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3afa h GLU 63 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3afa h GLU 63 CO -0.01 -0.00 0.47 -0.91 -1.00 0.00 0.00 179.01 177.56 3afa h ASN 64 N -0.00 0.91 -0.01 1.42 2.35 -1.39 0.38 115.58 119.25 3afa h ASN 64 Ca 0.05 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 3afa h ASN 64 Cb 0.08 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.24 3afa h ASN 64 CO -0.12 0.69 -0.60 0.58 -1.65 0.00 0.00 177.43 176.34 3afa h VAL 65 N 1.05 1.42 -0.79 2.81 2.07 -1.14 -2.78 116.25 118.90 3afa h VAL 65 Ca 0.28 -2.07 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 3afa h VAL 65 Cb -0.06 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 3afa h VAL 65 CO -0.05 0.60 0.38 0.40 0.02 0.00 0.00 177.57 178.92 3afa h ILE 66 N -0.09 1.25 -0.35 4.57 2.04 -0.64 0.12 117.51 124.40 3afa h ILE 66 Ca -0.07 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3afa h ILE 66 Cb 1.31 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3afa h ILE 66 CO 0.12 0.30 0.16 -0.09 0.00 0.00 0.00 178.15 178.64 3afa h ARG 67 N 1.11 0.33 -0.29 2.37 2.43 -0.27 0.25 114.38 120.31 3afa h ARG 67 Ca 0.27 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3afa h ARG 67 Cb 0.12 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3afa h ARG 67 CO -0.03 0.22 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.98 3afa h ASP 68 N 0.34 0.70 -0.15 -3.80 5.19 -1.21 -1.30 116.42 116.19 3afa h ASP 68 Ca 0.15 -0.45 0.03 0.00 -0.62 0.00 0.00 57.03 56.14 3afa h ASP 68 Cb 0.08 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 3afa h ASP 68 CO -0.12 1.00 -0.03 0.00 -3.12 0.00 0.00 179.24 176.97 3afa h ALA 69 N 0.72 0.10 -0.27 3.45 0.00 -0.40 -1.20 119.26 121.67 3afa h ALA 69 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3afa h ALA 69 Cb 0.78 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3afa h ALA 69 CO 0.06 -0.48 0.06 0.28 0.00 0.00 0.00 179.25 179.17 3afa h VAL 70 N 0.01 1.14 -0.60 0.00 2.07 -0.49 -0.30 116.25 118.07 3afa h VAL 70 Ca 0.07 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3afa h VAL 70 Cb 0.11 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3afa h VAL 70 CO -0.15 0.17 0.10 0.74 0.02 0.00 0.00 177.57 178.45 3afa h THR 71 N 0.38 1.25 -0.14 2.57 2.02 -0.40 0.16 112.91 118.75 3afa h THR 71 Ca 0.09 -0.97 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 3afa h THR 71 Cb 0.17 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3afa h THR 71 CO -0.00 0.36 -0.39 1.88 0.37 0.00 0.00 175.52 177.74 3afa h TYR 72 N 0.91 0.36 0.53 3.16 0.05 -0.17 -1.75 116.97 120.06 3afa h TYR 72 Ca 0.19 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 3afa h TYR 72 Cb 0.40 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 38.06 3afa h TYR 72 CO 0.03 0.66 -0.26 1.15 -1.05 0.00 0.00 178.16 178.69 3afa h THR 73 N 0.26 0.41 -0.82 -2.88 2.02 -0.19 -2.90 112.91 108.81 3afa h THR 73 Ca 0.03 -0.28 0.10 0.00 0.77 0.00 0.00 66.41 67.03 3afa h THR 73 Cb 0.81 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 3afa h THR 73 CO 0.06 0.04 0.46 -0.33 0.37 0.00 0.00 175.52 176.12 3afa h GLU 74 N -0.91 0.73 0.00 6.66 5.08 -0.68 -1.14 114.58 124.32 3afa h GLU 74 Ca -0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3afa h GLU 74 Cb 0.62 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3afa h GLU 74 CO 0.12 0.48 -0.04 1.25 -1.00 0.00 0.00 179.01 179.82 3afa h HIS 75 N 0.75 0.00 -0.31 4.33 2.76 -1.27 0.17 115.15 121.58 3afa h HIS 75 Ca 0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 3afa h HIS 75 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 3afa h HIS 75 CO -0.07 0.04 0.00 0.00 -1.30 0.00 0.00 177.93 176.60 3afa n ALA 76 N -2.19 2.46 -3.38 5.26 0.00 -0.45 -4.94 120.51 117.27 3afa n ALA 76 Ca -0.02 -0.82 -0.24 0.00 0.00 0.00 0.00 53.44 52.36 3afa n ALA 76 Cb 0.16 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.70 3afa n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3afa n LYS 77 N 1.06 -5.50 -3.99 0.00 5.02 0.60 -4.99 118.16 110.36 3afa n LYS 77 Ca 0.18 0.76 -0.22 0.00 -2.02 0.00 0.00 58.31 57.01 3afa n LYS 77 Cb 0.50 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.81 3afa n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3afa s ARG 78 N -6.07 2.67 0.00 1.97 0.52 -1.07 -5.02 118.95 111.94 3afa s ARG 78 Ca 0.45 -1.29 0.10 0.00 -0.52 0.00 0.00 55.73 54.47 3afa s ARG 78 Cb -0.21 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 32.76 3afa s ARG 78 CO 0.56 0.20 0.49 1.63 0.02 0.00 0.00 175.30 178.20 3afa n LYS 79 N -1.24 3.20 -3.78 3.54 5.02 -1.26 -4.46 118.16 119.18 3afa n LYS 79 Ca -0.04 -0.16 -0.37 0.00 -2.02 0.00 0.00 58.31 55.71 3afa n LYS 79 Cb 0.59 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 34.46 3afa n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3afa s THR 80 N -1.83 3.80 -0.10 -0.18 2.01 -1.26 -5.06 115.64 113.02 3afa s THR 80 Ca 0.05 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 3afa s THR 80 Cb 0.08 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3afa s THR 80 CO 0.38 0.03 1.46 -0.69 -0.69 0.00 0.00 174.62 175.11 3afa s VAL 81 N 1.46 3.91 0.45 3.82 1.01 -1.26 -4.98 120.40 124.81 3afa s VAL 81 Ca 0.01 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.12 3afa s VAL 81 Cb -0.18 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3afa s VAL 81 CO 0.02 -0.09 0.65 0.42 0.00 0.00 0.00 175.10 176.10 3afa s THR 82 N 3.73 3.75 0.29 3.92 -4.23 -1.26 -4.97 115.64 116.87 3afa s THR 82 Ca 0.64 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3afa s THR 82 Cb -0.28 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.41 3afa s THR 82 CO 0.22 -0.24 1.92 0.00 -0.54 0.00 0.00 174.62 175.98 3afa h ALA 83 N 0.43 1.34 -0.49 3.99 0.00 -1.94 -1.13 119.26 121.45 3afa h ALA 83 Ca -0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3afa h ALA 83 Cb 1.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3afa h ALA 83 CO 0.55 0.55 0.13 0.52 0.00 0.00 0.00 179.25 181.00 3afa h MET 84 N 1.02 0.74 -0.75 0.00 2.86 -1.94 0.30 114.93 117.16 3afa h MET 84 Ca 0.26 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.81 3afa h MET 84 Cb 0.02 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 3afa h MET 84 CO -0.04 0.66 0.45 -0.44 1.06 0.00 0.00 176.91 178.60 3afa h ASP 85 N 0.72 0.71 -0.29 1.22 3.32 -1.56 0.78 116.42 121.33 3afa h ASP 85 Ca 0.16 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3afa h ASP 85 Cb 0.25 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3afa h ASP 85 CO -0.00 0.47 -0.29 0.58 -1.72 0.00 0.00 179.24 178.28 3afa h VAL 86 N 0.85 1.30 -0.84 -1.35 2.07 -1.09 -1.06 116.25 116.12 3afa h VAL 86 Ca 0.32 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.39 3afa h VAL 86 Cb 0.13 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3afa h VAL 86 CO -0.16 0.47 0.55 0.58 0.02 0.00 0.00 177.57 179.03 3afa h VAL 87 N 0.45 1.22 -0.19 2.57 2.07 -0.50 0.35 116.25 122.23 3afa h VAL 87 Ca 0.05 -0.42 -0.17 0.00 0.82 0.00 0.00 66.70 66.98 3afa h VAL 87 Cb 0.86 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3afa h VAL 87 CO 0.07 0.22 -0.58 1.88 0.02 0.00 0.00 177.57 179.18 3afa h TYR 88 N 1.15 0.75 -0.48 1.57 0.05 -0.77 -1.18 116.97 118.06 3afa h TYR 88 Ca 0.31 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3afa h TYR 88 Cb -0.11 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 3afa h TYR 88 CO -0.01 1.03 0.20 0.00 -1.05 0.00 0.00 178.16 178.33 3afa h ALA 89 N 0.91 0.62 -0.60 3.88 0.00 -0.36 -1.69 119.26 122.01 3afa h ALA 89 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3afa h ALA 89 Cb 1.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3afa h ALA 89 CO 0.11 0.21 0.18 -0.07 0.00 0.00 0.00 179.25 179.68 3afa h LEU 90 N 0.63 0.89 -0.66 0.00 3.38 -0.17 -2.18 115.31 117.19 3afa h LEU 90 Ca 0.16 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3afa h LEU 90 Cb 0.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3afa h LEU 90 CO -0.02 0.87 0.41 0.50 0.09 0.00 0.00 178.44 180.29 3afa h LYS 91 N 0.86 0.76 -0.32 1.13 1.63 -0.99 0.30 116.57 119.95 3afa h LYS 91 Ca 0.19 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.00 3afa h LYS 91 Cb 0.30 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 3afa h LYS 91 CO -0.00 0.51 0.05 0.00 -3.45 0.00 0.00 179.45 176.55 3afa h ARG 92 N 0.79 0.15 0.00 1.90 3.08 -0.91 -1.11 114.38 118.27 3afa h ARG 92 Ca 0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3afa h ARG 92 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3afa h ARG 92 CO -0.12 0.10 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 3afa n GLN 93 N -5.11 0.70 -3.05 0.04 1.13 -0.86 -4.87 117.38 105.37 3afa n GLN 93 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.94 3afa n GLN 93 Cb 0.15 -1.45 0.05 0.00 0.11 0.00 0.00 30.24 29.09 3afa n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3afa n GLY 94 N 0.39 0.06 2.61 1.08 0.00 -0.42 -4.95 105.19 103.96 3afa n GLY 94 Ca 0.15 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3afa n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3afa n ARG 95 N -3.01 1.74 -1.54 1.61 5.12 0.94 -5.01 116.66 116.51 3afa n ARG 95 Ca -0.04 -3.58 -0.54 0.00 -1.93 0.00 0.00 57.85 51.76 3afa n ARG 95 Cb 0.55 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 3afa n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3afa n THR 96 N -0.17 0.21 -4.71 0.55 -1.04 -1.25 -4.50 114.28 103.37 3afa n THR 96 Ca 0.17 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.80 3afa n THR 96 Cb 0.78 -0.46 -0.16 0.00 -1.82 0.00 0.00 70.33 68.67 3afa n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3afa s LEU 97 N 0.44 2.23 -0.00 -4.42 2.96 -1.26 -5.01 118.68 113.61 3afa s LEU 97 Ca 0.85 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 3afa s LEU 97 Cb -1.06 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 3afa s LEU 97 CO 0.52 0.10 0.24 -0.31 -1.32 0.00 0.00 176.35 175.58 3afa s TYR 98 N 0.73 3.57 0.00 5.38 1.51 -1.26 -4.63 117.35 122.65 3afa s TYR 98 Ca -0.08 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 3afa s TYR 98 Cb -0.16 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 3afa s TYR 98 CO 0.00 0.63 0.00 0.41 -1.11 0.00 0.00 175.55 175.48 3afa n GLY 99 N 1.15 0.98 0.00 0.71 0.00 -1.26 -4.95 105.19 101.81 3afa n GLY 99 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3afa n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3afa n PHE 100 N -0.43 0.00 1.06 1.61 3.01 -1.26 -4.72 117.46 116.73 3afa n PHE 100 Ca 0.00 -0.07 0.07 0.00 1.01 0.00 0.00 57.45 58.46 3afa n PHE 100 Cb 0.00 -0.01 0.40 0.00 -0.01 0.00 0.00 39.48 39.86 3afa n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3afa n GLY 101 N -0.07 -0.53 2.30 1.37 0.00 -1.26 -4.66 105.19 102.33 3afa n GLY 101 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3afa n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93