#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8h s TRP 7 N 0.00 2.87 0.58 0.54 -0.00 -1.26 -4.79 118.94 116.89 1f8h s TRP 7 Ca 0.00 0.81 0.37 0.00 -0.00 0.00 0.00 56.10 57.28 1f8h s TRP 7 Cb 0.00 -3.68 1.36 0.00 -0.00 0.00 0.00 33.47 31.14 1f8h s TRP 7 CO 0.00 -2.52 1.52 0.00 -0.00 0.00 0.00 176.95 175.95 1f8h h ALA 8 N 7.74 3.26 -3.05 5.86 0.00 0.32 -3.35 119.26 130.05 1f8h h ALA 8 Ca -0.39 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 1f8h h ALA 8 Cb 1.18 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1f8h h ALA 8 CO 0.90 -1.88 -0.30 0.08 0.00 0.00 0.00 179.25 178.05 1f8h s VAL 9 N -4.67 5.28 0.68 0.00 1.01 -1.26 -5.06 120.40 116.38 1f8h s VAL 9 Ca -0.04 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 1f8h s VAL 9 Cb 0.20 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 33.00 1f8h s VAL 9 CO 0.68 0.39 0.96 -0.54 0.00 0.00 0.00 175.10 176.60 1f8h s LYS 10 N 0.38 2.05 0.28 2.72 3.01 -1.26 -4.84 119.74 122.09 1f8h s LYS 10 Ca 0.18 -0.62 0.03 0.00 -1.01 0.00 0.00 55.97 54.55 1f8h s LYS 10 Cb -0.13 -2.27 0.43 0.00 -1.01 0.00 0.00 37.83 34.84 1f8h s LYS 10 CO 0.05 -1.23 1.73 -1.00 0.51 0.00 0.00 175.35 175.41 1f8h h PRO 11 N -0.47 0.47 0.00 -1.68 0.13 -1.97 0.33 132.00 128.81 1f8h h PRO 11 Ca -0.42 -0.17 -0.17 0.00 -0.87 0.00 0.00 66.00 64.37 1f8h h PRO 11 Cb 1.29 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1f8h h PRO 11 CO 0.52 0.68 -0.81 0.93 -0.23 0.00 0.00 178.00 179.09 1f8h h GLU 12 N 0.41 0.00 0.10 0.86 5.08 -1.99 -2.07 114.58 116.97 1f8h h GLU 12 Ca 0.06 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.16 1f8h h GLU 12 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1f8h h GLU 12 CO 0.05 0.81 -1.25 -0.44 -1.00 0.00 0.00 179.01 177.18 1f8h h ASP 13 N 0.00 0.31 1.58 1.42 3.32 -1.84 -3.14 116.42 118.07 1f8h h ASP 13 Ca -0.01 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1f8h h ASP 13 Cb 1.54 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1f8h h ASP 13 CO 0.11 1.28 0.00 0.50 -1.72 0.00 0.00 179.24 179.41 1f8h h LYS 14 N 0.05 0.00 -0.04 3.56 3.64 -0.36 -2.68 116.57 120.75 1f8h h LYS 14 Ca -0.13 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.02 1f8h h LYS 14 Cb 1.94 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1f8h h LYS 14 CO 0.18 0.00 -0.91 0.00 -2.27 0.00 0.00 179.45 176.44 1f8h h ALA 15 N 2.18 0.32 0.00 5.00 0.00 -1.35 -0.81 119.26 124.61 1f8h h ALA 15 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1f8h h ALA 15 Cb 0.79 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1f8h h ALA 15 CO 0.00 0.75 -0.27 1.57 0.00 0.00 0.00 179.25 181.30 1f8h h LYS 16 N 0.33 0.00 0.05 0.00 2.10 -1.49 -2.96 116.57 114.60 1f8h h LYS 16 Ca -0.08 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.33 1f8h h LYS 16 Cb 1.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.88 1f8h h LYS 16 CO 0.17 0.27 -1.04 1.88 -2.00 0.00 0.00 179.45 178.72 1f8h h TYR 17 N 0.00 0.49 0.00 0.07 0.05 -1.33 -3.00 116.97 113.25 1f8h h TYR 17 Ca -0.00 -0.30 -0.00 0.00 0.05 0.00 0.00 58.73 58.47 1f8h h TYR 17 Cb 1.05 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.75 1f8h h TYR 17 CO 0.00 1.16 -0.01 0.22 -1.05 0.00 0.00 178.16 178.48 1f8h h ASP 18 N 0.14 0.00 0.79 3.88 1.82 -1.02 0.56 116.42 122.59 1f8h h ASP 18 Ca -0.09 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.30 1f8h h ASP 18 Cb 1.71 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.71 1f8h h ASP 18 CO 0.17 0.01 -1.18 0.00 -1.61 0.00 0.00 179.24 176.63 1f8h h ALA 19 N 1.99 0.30 0.01 -0.78 0.00 -1.44 -1.62 119.26 117.72 1f8h h ALA 19 Ca -0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 54.91 53.73 1f8h h ALA 19 Cb 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1f8h h ALA 19 CO 0.00 1.19 -0.99 0.82 0.00 0.00 0.00 179.25 180.27 1f8h h ILE 20 N 0.03 1.67 -0.12 0.00 2.04 -1.32 0.25 117.51 120.06 1f8h h ILE 20 Ca -0.09 -3.26 -0.18 0.00 1.00 0.00 0.00 64.86 62.32 1f8h h ILE 20 Cb 1.87 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 40.74 1f8h h ILE 20 CO 0.15 0.93 -0.68 0.15 0.00 0.00 0.00 178.15 178.70 1f8h h PHE 21 N 0.01 0.67 -0.01 1.37 3.04 -0.90 -2.93 116.94 118.19 1f8h h PHE 21 Ca -0.02 -0.28 0.00 0.00 3.98 0.00 0.00 57.97 61.65 1f8h h PHE 21 Cb 1.72 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 40.12 1f8h h PHE 21 CO 0.01 1.04 -0.18 -3.47 -2.02 0.00 0.00 178.31 173.69 1f8h n ASP 22 N -3.89 1.32 0.09 0.41 2.03 -0.61 -3.66 116.55 112.24 1f8h n ASP 22 Ca -0.04 -1.17 0.13 0.00 0.52 0.00 0.00 54.79 54.23 1f8h n ASP 22 Cb 0.68 0.11 0.35 0.00 -0.72 0.00 0.00 41.12 41.54 1f8h n ASP 22 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1f8h n SER 23 N -0.27 0.77 -0.10 1.67 2.88 0.07 -3.95 113.62 114.69 1f8h n SER 23 Ca 0.14 0.45 -0.18 0.00 -1.33 0.00 0.00 58.87 57.96 1f8h n SER 23 Cb 0.37 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 63.21 1f8h n SER 23 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1f8h n LEU 24 N -2.21 1.89 0.00 2.46 4.77 -1.23 -5.06 117.00 117.62 1f8h n LEU 24 Ca 0.05 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1f8h n LEU 24 Cb 0.43 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1f8h n LEU 24 CO 0.32 0.10 0.00 -1.20 -1.33 0.00 0.00 177.39 175.28 1f8h n SER 25 N -4.43 0.00 -4.79 -1.43 7.64 -1.25 -5.10 113.62 104.25 1f8h n SER 25 Ca -0.30 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.24 1f8h n SER 25 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1f8h s PRO 26 N 0.00 3.69 -0.63 1.43 0.04 -1.26 -4.76 135.00 133.51 1f8h s PRO 26 Ca 0.00 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.47 1f8h s PRO 26 Cb 0.00 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.62 1f8h s PRO 26 CO 0.00 -0.53 0.40 0.08 0.04 0.00 0.00 177.00 176.99 1f8h s VAL 27 N -1.99 2.80 0.00 -0.36 1.01 0.12 -4.70 120.40 117.28 1f8h s VAL 27 Ca 0.68 -3.87 0.00 0.00 0.00 0.00 0.00 61.98 58.79 1f8h s VAL 27 Cb -0.17 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1f8h s VAL 27 CO 0.22 -0.92 0.00 -0.46 0.00 0.00 0.00 175.10 173.94 1f8h n ASN 28 N 2.46 -1.62 0.00 3.32 6.94 -1.26 -3.26 115.26 121.84 1f8h n ASN 28 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1f8h n ASN 28 Cb 0.34 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f8h n GLY 29 N -1.82 1.67 3.25 4.83 0.00 -1.26 -5.11 105.19 106.75 1f8h n GLY 29 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1f8h n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8h s PHE 30 N -1.67 -0.16 0.19 1.61 0.08 -1.20 -3.92 117.98 112.91 1f8h s PHE 30 Ca 0.00 0.17 0.11 0.00 0.12 0.00 0.00 56.93 57.33 1f8h s PHE 30 Cb 0.00 0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.51 1f8h s PHE 30 CO 0.00 -0.44 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.94 1f8h s LEU 31 N -1.59 2.43 -0.06 -0.37 1.43 -0.59 0.10 118.68 120.03 1f8h s LEU 31 Ca -0.10 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 1f8h s LEU 31 Cb -0.04 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1f8h s LEU 31 CO 0.02 0.11 0.22 -0.94 0.23 0.00 0.00 176.35 175.99 1f8h s SER 32 N -2.65 6.49 0.58 2.29 1.04 -1.26 -0.15 113.70 120.04 1f8h s SER 32 Ca 0.20 0.58 0.40 0.00 0.48 0.00 0.00 55.95 57.60 1f8h s SER 32 Cb -0.08 -2.10 1.39 0.00 0.10 0.00 0.00 66.02 65.32 1f8h s SER 32 CO 0.09 0.35 1.48 1.23 0.98 0.00 0.00 173.24 177.37 1f8h h GLY 33 N 4.61 0.00 2.00 7.32 0.00 -1.66 2.66 103.07 118.00 1f8h h GLY 33 Ca -0.53 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1f8h h GLY 33 CO 0.61 0.00 -0.18 -0.55 0.00 0.00 0.00 176.54 176.42 1f8h h ASP 34 N 0.00 0.00 0.24 0.19 3.32 -1.91 0.57 116.42 118.83 1f8h h ASP 34 Ca 0.72 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.43 1f8h h ASP 34 Cb 3.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 42.82 1f8h h ASP 34 CO -0.01 0.18 -1.90 0.29 -1.72 0.00 0.00 179.24 176.08 1f8h n LYS 35 N -3.56 0.72 -0.03 3.56 5.02 0.89 -4.13 118.16 120.63 1f8h n LYS 35 Ca -0.01 0.27 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 1f8h n LYS 35 Cb 0.33 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1f8h n LYS 35 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f8h h VAL 36 N 0.05 1.29 -0.79 -0.18 2.07 -1.18 -3.17 116.25 114.34 1f8h h VAL 36 Ca -0.38 -1.92 0.12 0.00 0.82 0.00 0.00 66.70 65.35 1f8h h VAL 36 Cb 2.03 1.89 -0.13 0.00 -1.52 0.00 0.00 31.29 33.56 1f8h h VAL 36 CO 0.09 0.61 -0.39 0.50 0.02 0.00 0.00 177.57 178.39 1f8h h LYS 37 N 0.54 -0.09 -0.04 1.57 3.64 -0.01 0.70 116.57 122.88 1f8h h LYS 37 Ca -0.03 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1f8h h LYS 37 Cb 1.32 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1f8h h LYS 37 CO 0.14 -0.06 -0.26 -1.00 -2.27 0.00 0.00 179.45 176.00 1f8h h PRO 38 N -0.09 0.07 0.00 1.90 0.13 -1.74 0.57 132.00 132.84 1f8h h PRO 38 Ca 0.27 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.29 1f8h h PRO 38 Cb 0.56 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1f8h h PRO 38 CO -0.83 0.33 -0.39 0.28 -0.23 0.00 0.00 178.00 177.16 1f8h h VAL 39 N 0.07 1.15 0.01 1.56 2.07 0.25 -2.62 116.25 118.74 1f8h h VAL 39 Ca 0.01 -1.40 -0.34 0.00 0.82 0.00 0.00 66.70 65.79 1f8h h VAL 39 Cb 0.50 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1f8h h VAL 39 CO 0.04 0.38 -2.06 0.18 0.02 0.00 0.00 177.57 176.13 1f8h n LEU 40 N -3.89 0.81 0.00 2.57 4.77 0.76 -3.90 117.00 118.13 1f8h n LEU 40 Ca -0.01 0.20 0.07 0.00 -0.03 0.00 0.00 56.01 56.23 1f8h n LEU 40 Cb 0.45 0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.98 1f8h n LEU 40 CO 0.38 0.51 0.74 0.18 -1.33 0.00 0.00 177.39 177.87 1f8h n LEU 41 N -2.98 0.00 -0.12 2.23 4.77 0.19 -2.04 117.00 119.05 1f8h n LEU 41 Ca -0.26 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1f8h n LEU 41 Cb 1.09 -0.50 0.28 0.00 -2.33 0.00 0.00 43.42 41.96 1f8h n LEU 41 CO 0.43 -0.24 0.51 -0.46 -1.33 0.00 0.00 177.39 176.30 1f8h n ASN 42 N -1.50 0.80 -0.30 -1.43 6.94 -0.99 -3.95 115.26 114.83 1f8h n ASN 42 Ca 0.04 -0.60 0.01 0.00 -0.02 0.00 0.00 54.58 54.00 1f8h n ASN 42 Cb 0.17 0.24 0.03 0.00 -2.36 0.00 0.00 39.78 37.86 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1f8h n SER 43 N -1.09 0.72 -0.09 0.53 3.41 -0.87 -4.81 113.62 111.42 1f8h n SER 43 Ca 0.08 -2.03 -0.01 0.00 -0.26 0.00 0.00 58.87 56.65 1f8h n SER 43 Cb 0.34 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1f8h n SER 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1f8h n LYS 44 N -0.18 -1.59 -3.79 4.33 4.81 -1.25 -4.92 118.16 115.56 1f8h n LYS 44 Ca 0.02 0.45 -0.24 0.00 -0.87 0.00 0.00 58.31 57.67 1f8h n LYS 44 Cb 0.16 -4.67 -0.02 0.00 0.02 0.00 0.00 35.03 30.52 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1f8h s LEU 45 N -0.27 4.24 0.91 3.14 1.43 -1.26 -5.10 118.68 121.77 1f8h s LEU 45 Ca 0.00 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1f8h s LEU 45 Cb 0.00 -3.02 0.14 0.00 0.03 0.00 0.00 46.19 43.33 1f8h s LEU 45 CO 0.00 -0.09 1.15 -2.16 0.23 0.00 0.00 176.35 175.48 1f8h s PRO 46 N -3.77 1.18 0.00 1.29 0.04 -1.26 -4.81 135.00 127.67 1f8h s PRO 46 Ca 0.36 0.24 0.18 0.00 0.04 0.00 0.00 61.00 61.82 1f8h s PRO 46 Cb -0.10 -1.85 0.96 0.00 0.04 0.00 0.00 34.50 33.55 1f8h s PRO 46 CO 0.30 -2.16 1.49 0.28 0.04 0.00 0.00 177.00 176.96 1f8h n VAL 47 N -3.73 0.27 0.08 -0.36 0.31 -1.26 -2.17 118.33 111.48 1f8h n VAL 47 Ca 0.07 0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 1f8h n VAL 47 Cb 0.59 -0.79 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 1f8h n VAL 47 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1f8h h ASP 48 N 0.00 0.19 0.22 4.52 3.58 -1.97 0.26 116.42 123.22 1f8h h ASP 48 Ca 0.00 -0.18 -0.32 0.00 0.42 0.00 0.00 57.03 56.95 1f8h h ASP 48 Cb 0.09 -0.06 0.03 0.00 1.72 0.00 0.00 39.33 41.11 1f8h h ASP 48 CO 0.00 1.07 -1.46 0.40 -2.88 0.00 0.00 179.24 176.36 1f8h h ILE 49 N 0.06 1.21 -0.02 2.25 1.08 -1.80 -3.00 117.51 117.29 1f8h h ILE 49 Ca -0.05 -2.62 -0.12 0.00 -0.39 0.00 0.00 64.86 61.68 1f8h h ILE 49 Cb 1.68 2.98 -0.02 0.00 -3.07 0.00 0.00 36.82 38.40 1f8h h ILE 49 CO 0.15 0.80 -0.55 -0.07 -0.69 0.00 0.00 178.15 177.79 1f8h h LEU 50 N 0.05 0.08 -1.54 1.44 3.38 -1.58 1.90 115.31 119.03 1f8h h LEU 50 Ca -0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1f8h h LEU 50 Cb 2.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1f8h h LEU 50 CO 0.23 0.62 -0.19 1.23 0.09 0.00 0.00 178.44 180.41 1f8h h GLY 51 N 1.59 0.00 0.00 0.83 0.00 -0.52 -0.82 103.07 104.14 1f8h h GLY 51 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1f8h h GLY 51 CO 0.08 0.00 -2.39 -2.13 0.00 0.00 0.00 176.54 172.10 1f8h n ARG 52 N -3.58 0.71 0.01 4.80 0.63 -0.78 -3.71 116.66 114.75 1f8h n ARG 52 Ca -0.01 0.07 -0.02 0.00 -0.92 0.00 0.00 57.85 56.97 1f8h n ARG 52 Cb 0.33 -1.50 0.25 0.00 0.45 0.00 0.00 32.46 31.99 1f8h n ARG 52 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1f8h h VAL 53 N 0.00 1.24 0.25 5.15 2.07 0.31 -2.29 116.25 122.98 1f8h h VAL 53 Ca -0.55 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1f8h h VAL 53 Cb 2.04 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1f8h h VAL 53 CO -0.03 0.34 -0.12 -0.25 0.02 0.00 0.00 177.57 177.53 1f8h h TRP 54 N 0.44 -0.32 -0.31 1.57 2.91 -1.34 -1.42 115.95 117.49 1f8h h TRP 54 Ca 0.08 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.15 1f8h h TRP 54 Cb 0.52 0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 29.20 1f8h h TRP 54 CO 0.02 0.05 -0.43 0.93 -1.03 0.00 0.00 178.44 177.98 1f8h h GLU 55 N -0.85 -0.37 0.00 2.65 5.08 -1.61 3.06 114.58 122.53 1f8h h GLU 55 Ca -0.03 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1f8h h GLU 55 Cb 0.51 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1f8h h GLU 55 CO 0.06 -0.25 0.00 1.28 -1.00 0.00 0.00 179.01 179.10 1f8h n LEU 56 N -5.42 0.58 -0.04 1.33 4.77 -0.87 -1.67 117.00 115.68 1f8h n LEU 56 Ca -0.02 0.72 -0.15 0.00 -0.03 0.00 0.00 56.01 56.54 1f8h n LEU 56 Cb 0.35 -0.74 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 1f8h n LEU 56 CO 0.07 -0.81 -0.84 -0.24 -1.33 0.00 0.00 177.39 174.23 1f8h n SER 57 N -2.23 1.37 -4.55 -1.43 2.88 0.50 -4.75 113.62 105.41 1f8h n SER 57 Ca -0.00 0.20 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 1f8h n SER 57 Cb 0.10 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1f8h n SER 57 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1f8h s ASP 58 N -6.42 5.71 0.18 -3.46 2.15 0.90 -4.53 116.67 111.21 1f8h s ASP 58 Ca -0.16 -0.06 0.18 0.00 0.43 0.00 0.00 52.55 52.94 1f8h s ASP 58 Cb 0.07 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1f8h s ASP 58 CO 0.77 -2.11 1.08 0.40 -0.17 0.00 0.00 175.17 175.14 1f8h h ILE 59 N 6.47 0.43 0.00 4.11 1.08 -1.85 -3.31 117.51 124.44 1f8h h ILE 59 Ca -0.27 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1f8h h ILE 59 Cb 1.11 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1f8h h ILE 59 CO 1.25 0.25 -0.79 0.47 -0.69 0.00 0.00 178.15 178.64 1f8h n ASP 60 N -2.94 0.63 -3.67 1.72 8.00 -1.26 -4.97 116.55 114.06 1f8h n ASP 60 Ca -0.04 -0.23 -0.22 0.00 0.71 0.00 0.00 54.79 55.02 1f8h n ASP 60 Cb 0.72 0.52 0.05 0.00 -0.02 0.00 0.00 41.12 42.40 1f8h n ASP 60 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1f8h n HIS 61 N -1.81 -2.11 -1.08 1.24 8.25 -1.25 -4.89 115.22 113.57 1f8h n HIS 61 Ca 0.03 0.89 0.05 0.00 -0.26 0.00 0.00 57.72 58.44 1f8h n HIS 61 Cb 0.40 -4.53 0.08 0.00 1.12 0.00 0.00 29.99 27.05 1f8h n HIS 61 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1f8h n ASP 62 N -3.04 1.63 -0.92 0.41 5.75 -1.26 -4.96 116.55 114.15 1f8h n ASP 62 Ca -0.22 -2.53 -0.06 0.00 -0.01 0.00 0.00 54.79 51.96 1f8h n ASP 62 Cb 0.64 -0.28 0.01 0.00 -1.03 0.00 0.00 41.12 40.46 1f8h n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f8h n GLY 63 N -0.87 0.23 3.31 6.12 0.00 -1.26 -5.00 105.19 107.71 1f8h n GLY 63 Ca 0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1f8h n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f8h s MET 64 N -4.63 1.04 -0.23 1.61 -1.94 -1.26 -1.67 119.30 112.22 1f8h s MET 64 Ca 0.05 -0.88 -0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1f8h s MET 64 Cb -0.02 0.42 0.07 0.00 2.01 0.00 0.00 34.83 37.31 1f8h s MET 64 CO 0.06 -0.39 0.04 -0.51 -0.01 0.00 0.00 175.02 174.22 1f8h s LEU 65 N -2.86 1.56 0.94 -0.03 1.43 0.79 -4.72 118.68 115.79 1f8h s LEU 65 Ca 0.06 -1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1f8h s LEU 65 Cb 0.03 -0.72 0.17 0.00 0.03 0.00 0.00 46.19 45.70 1f8h s LEU 65 CO -0.09 -0.33 1.25 1.51 0.23 0.00 0.00 176.35 178.92 1f8h s ASP 66 N 1.76 3.34 0.26 2.29 1.47 -1.26 -1.55 116.67 122.99 1f8h s ASP 66 Ca 0.01 0.50 -0.10 0.00 1.18 0.00 0.00 52.55 54.13 1f8h s ASP 66 Cb -0.17 -0.72 0.38 0.00 -0.34 0.00 0.00 42.92 42.07 1f8h s ASP 66 CO -0.13 -2.61 1.57 0.08 0.68 0.00 0.00 175.17 174.76 1f8h h ARG 67 N -1.55 -0.01 -0.07 2.11 0.11 -1.95 1.20 114.38 114.23 1f8h h ARG 67 Ca -0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.56 1f8h h ARG 67 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1f8h h ARG 67 CO 0.47 -0.00 -0.22 0.38 0.10 0.00 0.00 179.97 180.70 1f8h h ASP 68 N -0.01 0.31 0.43 0.08 2.03 -1.91 -2.58 116.42 114.76 1f8h h ASP 68 Ca 0.43 -0.62 -0.02 0.00 -0.73 0.00 0.00 57.03 56.09 1f8h h ASP 68 Cb 0.66 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1f8h h ASP 68 CO -0.95 0.87 -0.21 -0.33 -1.03 0.00 0.00 179.24 177.60 1f8h h GLU 69 N -0.24 -0.55 -1.02 4.15 5.08 -1.46 -1.05 114.58 119.49 1f8h h GLU 69 Ca -0.01 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 58.68 1f8h h GLU 69 Cb 0.84 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 1f8h h GLU 69 CO 0.05 -0.32 0.73 0.35 -1.00 0.00 0.00 179.01 178.82 1f8h h PHE 70 N -0.68 0.00 0.52 4.33 3.04 0.13 0.41 116.94 124.70 1f8h h PHE 70 Ca -0.06 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 1f8h h PHE 70 Cb 0.50 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.01 1f8h h PHE 70 CO -0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 178.31 176.02 1f8h h ALA 71 N 1.49 -0.70 -0.72 2.41 0.00 -0.77 -2.10 119.26 118.87 1f8h h ALA 71 Ca 0.48 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.43 1f8h h ALA 71 Cb 1.94 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.98 1f8h h ALA 71 CO -0.01 -0.86 0.60 0.28 0.00 0.00 0.00 179.25 179.27 1f8h h VAL 72 N -0.78 0.45 -0.00 0.00 2.07 -0.57 0.30 116.25 117.72 1f8h h VAL 72 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1f8h h VAL 72 Cb 0.57 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1f8h h VAL 72 CO 0.12 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.47 1f8h n ALA 73 N -2.54 3.00 -0.03 1.67 0.00 -0.82 -3.25 120.51 118.54 1f8h n ALA 73 Ca 0.14 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1f8h n ALA 73 Cb 0.87 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 1f8h n ALA 73 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1f8h n MET 74 N -1.09 0.70 0.21 0.00 0.00 0.11 -3.09 117.12 113.95 1f8h n MET 74 Ca 0.11 0.36 0.10 0.00 0.00 0.00 0.00 57.70 58.27 1f8h n MET 74 Cb 0.32 -1.72 0.30 0.00 0.00 0.00 0.00 33.22 32.12 1f8h n MET 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1f8h h PHE 75 N -0.29 0.00 -0.00 2.03 -5.15 -1.71 0.00 116.94 111.83 1f8h h PHE 75 Ca -0.41 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.23 1f8h h PHE 75 Cb 1.80 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.95 1f8h h PHE 75 CO 0.08 0.18 -0.63 -0.07 -2.00 0.00 0.00 178.31 175.87 1f8h h LEU 76 N 0.00 0.01 0.00 2.10 3.38 -1.68 0.92 115.31 120.03 1f8h h LEU 76 Ca -0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1f8h h LEU 76 Cb 0.94 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1f8h h LEU 76 CO 0.02 0.64 -1.23 0.52 0.09 0.00 0.00 178.44 178.49 1f8h n VAL 77 N -3.79 0.74 0.03 1.22 0.31 -1.04 -3.34 118.33 112.46 1f8h n VAL 77 Ca -0.01 -0.59 -0.04 0.00 -0.01 0.00 0.00 64.34 63.69 1f8h n VAL 77 Cb 0.63 -0.43 -0.10 0.00 -0.91 0.00 0.00 33.84 33.03 1f8h n VAL 77 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1f8h h TYR 78 N 0.00 0.00 0.00 3.52 0.05 -0.87 -3.30 116.97 116.37 1f8h h TYR 78 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1f8h h TYR 78 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1f8h h TYR 78 CO 0.00 0.77 -0.25 0.00 -1.05 0.00 0.00 178.16 177.63 1f8h n ALA 80 N -1.78 2.56 -0.08 0.00 0.00 -1.16 0.11 120.51 120.16 1f8h n ALA 80 Ca 0.05 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1f8h n ALA 80 Cb 0.43 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 1f8h n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f8h n LEU 81 N -1.89 2.11 -1.27 0.00 4.77 -1.16 -4.60 117.00 114.97 1f8h n LEU 81 Ca 0.06 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 1f8h n LEU 81 Cb 0.39 -0.99 0.12 0.00 -2.33 0.00 0.00 43.42 40.61 1f8h n LEU 81 CO 0.31 0.48 0.23 -0.62 -1.33 0.00 0.00 177.39 176.46 1f8h n GLU 82 N -4.13 1.71 0.00 3.23 1.02 -1.20 -4.97 120.64 116.31 1f8h n GLU 82 Ca -0.35 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 53.54 1f8h n GLU 82 Cb 0.81 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1f8h n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f8h n LYS 83 N -0.66 0.00 -4.00 3.49 4.76 -0.25 -4.99 118.16 116.51 1f8h n LYS 83 Ca 0.21 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.56 1f8h n LYS 83 Cb 0.85 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.94 1f8h n LYS 83 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1f8h s GLU 84 N 0.00 0.45 0.00 1.97 2.12 0.29 -4.95 118.70 118.58 1f8h s GLU 84 Ca 0.00 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1f8h s GLU 84 Cb 0.00 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1f8h s GLU 84 CO 0.00 -0.09 0.00 -0.35 -0.54 0.00 0.00 175.26 174.28 1f8h n PRO 85 N 1.05 0.23 -3.94 4.30 -0.04 -1.26 -2.97 135.00 132.37 1f8h n PRO 85 Ca -0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.98 1f8h n PRO 85 Cb 0.57 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.87 1f8h n PRO 85 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1f8h s VAL 86 N -0.26 1.22 0.48 0.52 1.01 -1.26 -4.71 120.40 117.40 1f8h s VAL 86 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1f8h s VAL 86 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 1f8h s VAL 86 CO 0.00 0.36 0.93 -2.16 0.00 0.00 0.00 175.10 174.22 1f8h s PRO 87 N 1.62 3.90 -0.05 2.72 0.04 -1.26 -4.92 135.00 137.06 1f8h s PRO 87 Ca 0.04 0.82 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1f8h s PRO 87 Cb -0.13 -2.21 0.20 0.00 0.04 0.00 0.00 34.50 32.41 1f8h s PRO 87 CO -0.09 -0.21 0.88 -1.33 0.04 0.00 0.00 177.00 176.30 1f8h n MET 88 N -1.50 1.89 -3.66 4.56 2.81 -1.26 -4.69 117.12 115.27 1f8h n MET 88 Ca 0.05 -0.78 -0.39 0.00 -1.81 0.00 0.00 57.70 54.78 1f8h n MET 88 Cb 0.54 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 31.36 1f8h n MET 88 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1f8h s SER 89 N -0.35 5.49 -0.30 7.83 0.01 -1.26 -4.90 113.70 120.22 1f8h s SER 89 Ca 0.14 -1.71 -0.27 0.00 1.31 0.00 0.00 55.95 55.41 1f8h s SER 89 Cb 0.10 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 1f8h s SER 89 CO 0.05 -0.55 2.24 -0.22 0.41 0.00 0.00 173.24 175.17 1f8h s LEU 90 N 1.32 3.43 0.58 2.44 0.20 -1.26 -4.92 118.68 120.47 1f8h s LEU 90 Ca 0.04 1.62 -0.19 0.00 0.69 0.00 0.00 54.13 56.29 1f8h s LEU 90 Cb -0.23 -3.24 -0.04 0.00 -0.43 0.00 0.00 46.19 42.25 1f8h s LEU 90 CO -0.00 -2.20 1.21 -2.16 -0.29 0.00 0.00 176.35 172.91 1f8h s PRO 91 N 6.83 3.06 0.02 0.98 0.04 -1.26 -4.91 135.00 139.75 1f8h s PRO 91 Ca 0.98 1.84 0.23 0.00 0.04 0.00 0.00 61.00 64.09 1f8h s PRO 91 Cb -0.28 -1.99 0.96 0.00 0.04 0.00 0.00 34.50 33.23 1f8h s PRO 91 CO 0.32 -1.14 1.72 -0.35 0.04 0.00 0.00 177.00 177.60 1f8h n PRO 92 N -1.46 0.02 -0.59 0.56 -0.04 -1.26 -3.00 135.00 129.23 1f8h n PRO 92 Ca 0.13 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1f8h n PRO 92 Cb 0.49 -1.53 0.26 0.00 -0.04 0.00 0.00 33.50 32.69 1f8h n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8h n ALA 93 N -1.52 3.44 -1.21 0.55 0.00 -1.26 -3.94 120.51 116.56 1f8h n ALA 93 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1f8h n ALA 93 Cb 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1f8h n ALA 93 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f8h n LEU 94 N 0.38 0.00 -4.68 0.00 7.94 -1.16 0.99 117.00 120.46 1f8h n LEU 94 Ca 0.19 -0.08 -0.28 0.00 -1.11 0.00 0.00 56.01 54.73 1f8h n LEU 94 Cb 0.88 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.75 1f8h n LEU 94 CO 0.22 0.09 -0.33 0.68 -1.11 0.00 0.00 177.39 176.94 1f8h s VAL 95 N 0.00 3.91 1.16 1.96 -7.23 -1.25 -4.78 120.40 114.17 1f8h s VAL 95 Ca 0.00 -1.18 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 1f8h s VAL 95 Cb 0.00 -2.92 0.27 0.00 0.56 0.00 0.00 36.38 34.29 1f8h s VAL 95 CO 0.00 0.01 1.11 -2.16 -0.31 0.00 0.00 175.10 173.74 1f8h s PRO 96 N -2.63 -0.89 0.40 4.82 0.04 -1.26 -4.89 135.00 130.59 1f8h s PRO 96 Ca 0.27 0.05 0.29 0.00 0.04 0.00 0.00 61.00 61.64 1f8h s PRO 96 Cb -0.11 -1.62 1.21 0.00 0.04 0.00 0.00 34.50 34.02 1f8h s PRO 96 CO 0.19 -3.51 1.85 -1.00 0.04 0.00 0.00 177.00 174.56 1f8h h PRO 97 N -2.44 0.00 0.00 0.56 0.13 -1.99 -2.21 132.00 126.04 1f8h h PRO 97 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1f8h h PRO 97 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1f8h h PRO 97 CO 0.39 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.82 1f8h h SER 98 N 0.00 0.00 -0.10 1.44 4.64 -2.03 -2.23 113.55 115.27 1f8h h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f8h h SER 98 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1f8h h SER 98 CO 0.00 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.13 1f8h n LYS 99 N -2.56 1.73 0.00 4.77 3.00 -0.83 -5.17 118.16 119.10 1f8h n LYS 99 Ca 0.03 -1.09 0.13 0.00 -0.00 0.00 0.00 58.31 57.38 1f8h n LYS 99 Cb 0.32 -1.44 0.35 0.00 0.00 0.00 0.00 35.03 34.26 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94