#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8h n TRP 7 N 0.00 2.12 -0.50 0.54 -0.00 -1.26 -4.72 117.44 113.62 1f8h n TRP 7 Ca 0.00 0.29 0.43 0.00 -0.00 0.00 0.00 57.50 58.21 1f8h n TRP 7 Cb 0.00 -2.53 0.66 0.00 -0.00 0.00 0.00 31.31 29.44 1f8h n TRP 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f8h h ALA 8 N 7.13 3.50 -3.04 5.87 0.00 0.15 -3.33 119.26 129.54 1f8h h ALA 8 Ca -0.47 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 53.78 1f8h h ALA 8 Cb 1.29 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.07 1f8h h ALA 8 CO 0.91 -2.16 -0.40 0.08 0.00 0.00 0.00 179.25 177.68 1f8h s VAL 9 N -4.68 5.31 0.84 0.00 1.01 -1.26 -5.08 120.40 116.54 1f8h s VAL 9 Ca -0.04 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1f8h s VAL 9 Cb 0.21 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1f8h s VAL 9 CO 0.72 0.33 1.18 -0.54 0.00 0.00 0.00 175.10 176.79 1f8h s LYS 10 N 0.99 1.49 0.28 2.72 1.02 -1.25 -4.83 119.74 120.16 1f8h s LYS 10 Ca 0.12 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 55.88 1f8h s LYS 10 Cb -0.13 -1.99 0.40 0.00 -0.52 0.00 0.00 37.83 35.58 1f8h s LYS 10 CO 0.05 -1.82 1.69 -1.00 -0.92 0.00 0.00 175.35 173.35 1f8h h PRO 11 N -1.14 0.40 0.00 -1.68 0.13 -1.98 -0.25 132.00 127.48 1f8h h PRO 11 Ca -0.44 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1f8h h PRO 11 Cb 1.29 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1f8h h PRO 11 CO 0.52 0.69 -0.00 1.05 -0.23 0.00 0.00 178.00 180.03 1f8h h GLU 12 N 0.34 0.00 0.14 0.86 4.11 -1.99 -2.37 114.58 115.67 1f8h h GLU 12 Ca 0.04 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.20 1f8h h GLU 12 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1f8h h GLU 12 CO 0.06 0.00 -1.30 -0.44 0.07 0.00 0.00 179.01 177.40 1f8h h ASP 13 N 0.00 0.47 1.09 3.06 3.32 -1.78 -3.12 116.42 119.46 1f8h h ASP 13 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.16 1f8h h ASP 13 Cb 0.95 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1f8h h ASP 13 CO 0.00 1.59 0.00 0.50 -1.72 0.00 0.00 179.24 179.61 1f8h h LYS 14 N -0.24 0.00 -0.08 3.56 3.64 -1.11 -1.60 116.57 120.74 1f8h h LYS 14 Ca -0.26 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.90 1f8h h LYS 14 Cb 1.80 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.64 1f8h h LYS 14 CO 0.12 0.00 -0.79 0.00 -2.27 0.00 0.00 179.45 176.51 1f8h h ALA 15 N 2.20 0.21 0.00 5.00 0.00 -1.46 -0.25 119.26 124.96 1f8h h ALA 15 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1f8h h ALA 15 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1f8h h ALA 15 CO 0.00 0.59 -0.31 1.57 0.00 0.00 0.00 179.25 181.11 1f8h h LYS 16 N 0.36 0.00 -0.02 0.00 2.10 -1.44 -3.00 116.57 114.56 1f8h h LYS 16 Ca -0.07 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.38 1f8h h LYS 16 Cb 1.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.76 1f8h h LYS 16 CO 0.16 0.31 -0.83 1.88 -2.00 0.00 0.00 179.45 178.97 1f8h h TYR 17 N 0.00 0.42 0.00 0.07 0.05 -1.16 -2.91 116.97 113.44 1f8h h TYR 17 Ca -0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.54 1f8h h TYR 17 Cb 1.11 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 1f8h h TYR 17 CO 0.00 1.00 -0.11 -0.44 -1.05 0.00 0.00 178.16 177.55 1f8h h ASP 18 N 0.18 0.00 0.68 3.88 3.32 -0.90 0.26 116.42 123.84 1f8h h ASP 18 Ca -0.04 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 1f8h h ASP 18 Cb 1.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1f8h h ASP 18 CO 0.13 0.11 -1.03 0.00 -1.72 0.00 0.00 179.24 176.74 1f8h h ALA 19 N 1.89 0.34 0.06 3.45 0.00 -1.42 0.42 119.26 124.00 1f8h h ALA 19 Ca -0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 54.91 53.84 1f8h h ALA 19 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1f8h h ALA 19 CO 0.01 1.01 -1.23 0.82 0.00 0.00 0.00 179.25 179.86 1f8h h ILE 20 N 0.08 1.48 -0.03 0.00 2.04 -1.28 -1.60 117.51 118.19 1f8h h ILE 20 Ca -0.07 -3.14 -0.15 0.00 1.00 0.00 0.00 64.86 62.50 1f8h h ILE 20 Cb 1.72 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 40.62 1f8h h ILE 20 CO 0.16 0.88 -0.68 0.15 0.00 0.00 0.00 178.15 178.65 1f8h h PHE 21 N 0.04 0.17 -0.01 1.37 3.04 -0.48 -2.84 116.94 118.23 1f8h h PHE 21 Ca -0.11 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1f8h h PHE 21 Cb 1.90 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.39 1f8h h PHE 21 CO 0.03 0.77 -0.17 -3.47 -2.02 0.00 0.00 178.31 173.45 1f8h n ASP 22 N -3.78 1.28 -0.06 0.41 2.03 0.14 -3.68 116.55 112.89 1f8h n ASP 22 Ca -0.02 -1.15 0.13 0.00 0.52 0.00 0.00 54.79 54.27 1f8h n ASP 22 Cb 0.67 0.10 0.37 0.00 -0.72 0.00 0.00 41.12 41.55 1f8h n ASP 22 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1f8h n SER 23 N -0.30 0.51 0.00 1.67 3.41 -0.61 -3.44 113.62 114.86 1f8h n SER 23 Ca 0.14 -0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1f8h n SER 23 Cb 0.36 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1f8h n SER 23 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f8h n LEU 24 N -1.29 0.53 -0.41 1.04 4.77 -1.24 -5.02 117.00 115.38 1f8h n LEU 24 Ca 0.08 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1f8h n LEU 24 Cb 0.33 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1f8h n LEU 24 CO 0.31 0.11 0.00 -1.54 -1.33 0.00 0.00 177.39 174.94 1f8h n SER 25 N -1.90 -0.55 -4.78 -1.43 3.41 -1.22 -5.02 113.62 102.13 1f8h n SER 25 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1f8h n SER 25 Cb 0.45 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1f8h s PRO 26 N -0.04 3.88 -0.39 4.33 0.04 -1.26 -4.88 135.00 136.68 1f8h s PRO 26 Ca 0.00 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1f8h s PRO 26 Cb 0.00 -2.36 0.11 0.00 0.04 0.00 0.00 34.50 32.29 1f8h s PRO 26 CO 0.00 -0.41 0.15 0.08 0.04 0.00 0.00 177.00 176.87 1f8h s VAL 27 N -1.69 2.98 -0.91 -0.36 1.01 0.50 -4.59 120.40 117.34 1f8h s VAL 27 Ca 0.63 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1f8h s VAL 27 Cb -0.23 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1f8h s VAL 27 CO 0.29 -0.65 0.00 -3.20 0.00 0.00 0.00 175.10 171.54 1f8h n ASN 28 N 4.49 -5.14 0.00 3.32 5.15 -1.26 -2.26 115.26 119.56 1f8h n ASN 28 Ca -0.01 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1f8h n ASN 28 Cb 0.42 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.27 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f8h n GLY 29 N -0.46 1.75 3.13 8.20 0.00 -1.26 -5.09 105.19 111.45 1f8h n GLY 29 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 -0.03 0.25 1.61 0.08 -0.96 -3.43 117.98 113.51 1f8h s PHE 30 Ca 0.00 0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.16 1f8h s PHE 30 Cb 0.00 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.40 1f8h s PHE 30 CO 0.00 -0.28 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.26 1f8h s LEU 31 N -1.20 3.00 -0.03 -0.37 1.43 -0.76 -0.37 118.68 120.39 1f8h s LEU 31 Ca -0.13 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 1f8h s LEU 31 Cb -0.06 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1f8h s LEU 31 CO 0.02 0.03 0.07 -0.94 0.23 0.00 0.00 176.35 175.76 1f8h s SER 32 N -3.49 5.65 0.60 2.29 1.04 -1.26 -0.36 113.70 118.17 1f8h s SER 32 Ca 0.30 0.17 0.28 0.00 0.48 0.00 0.00 55.95 57.18 1f8h s SER 32 Cb -0.06 -1.64 1.14 0.00 0.10 0.00 0.00 66.02 65.56 1f8h s SER 32 CO 0.18 0.31 1.53 1.23 0.98 0.00 0.00 173.24 177.46 1f8h h GLY 33 N 4.40 0.00 2.00 7.32 0.00 -1.12 2.46 103.07 118.13 1f8h h GLY 33 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1f8h h GLY 33 CO 0.60 0.00 -0.22 -1.80 0.00 0.00 0.00 176.54 175.13 1f8h h ASP 34 N 0.00 0.00 0.30 0.19 3.58 -1.92 0.39 116.42 118.96 1f8h h ASP 34 Ca 0.39 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.51 1f8h h ASP 34 Cb 2.27 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.28 1f8h h ASP 34 CO -0.00 0.22 -1.93 0.29 -2.88 0.00 0.00 179.24 174.93 1f8h n LYS 35 N -3.37 0.67 0.08 0.28 5.02 0.82 -4.20 118.16 117.46 1f8h n LYS 35 Ca 0.00 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.33 1f8h n LYS 35 Cb 0.43 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.02 1.33 -0.81 -0.18 2.07 -1.19 -3.17 116.25 114.32 1f8h h VAL 36 Ca -0.38 -2.52 0.13 0.00 0.82 0.00 0.00 66.70 64.75 1f8h h VAL 36 Cb 2.05 2.64 -0.14 0.00 -1.52 0.00 0.00 31.29 34.32 1f8h h VAL 36 CO 0.06 0.76 -0.38 0.50 0.02 0.00 0.00 177.57 178.53 1f8h h LYS 37 N 0.25 -0.08 -0.17 1.57 3.64 -0.38 0.94 116.57 122.36 1f8h h LYS 37 Ca -0.16 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 1f8h h LYS 37 Cb 1.84 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1f8h h LYS 37 CO 0.22 -0.05 -0.20 -1.00 -2.27 0.00 0.00 179.45 176.14 1f8h h PRO 38 N -0.08 0.29 -0.14 1.90 0.13 -1.75 0.92 132.00 133.27 1f8h h PRO 38 Ca 0.29 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1f8h h PRO 38 Cb 0.57 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1f8h h PRO 38 CO -0.85 0.49 -0.15 0.28 -0.23 0.00 0.00 178.00 177.54 1f8h h VAL 39 N 0.27 1.18 0.00 1.56 2.07 0.70 -1.23 116.25 120.81 1f8h h VAL 39 Ca 0.05 -0.82 -0.32 0.00 0.82 0.00 0.00 66.70 66.43 1f8h h VAL 39 Cb 0.52 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1f8h h VAL 39 CO 0.03 0.25 -1.91 0.18 0.02 0.00 0.00 177.57 176.15 1f8h n LEU 40 N -4.26 0.73 0.06 2.57 4.77 0.12 -3.80 117.00 117.19 1f8h n LEU 40 Ca -0.01 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.37 1f8h n LEU 40 Cb 0.28 0.20 0.42 0.00 -2.33 0.00 0.00 43.42 41.99 1f8h n LEU 40 CO 0.38 0.44 0.82 0.18 -1.33 0.00 0.00 177.39 177.88 1f8h n LEU 41 N -2.98 0.32 -0.02 2.23 4.77 0.31 -2.07 117.00 119.55 1f8h n LEU 41 Ca -0.22 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1f8h n LEU 41 Cb 1.08 -0.51 0.23 0.00 -2.33 0.00 0.00 43.42 41.89 1f8h n LEU 41 CO 0.44 -0.32 0.43 -3.20 -1.33 0.00 0.00 177.39 173.42 1f8h n ASN 42 N -1.84 0.58 -0.14 -1.43 5.15 -0.48 -3.85 115.26 113.25 1f8h n ASN 42 Ca 0.04 -0.35 0.01 0.00 -0.60 0.00 0.00 54.58 53.67 1f8h n ASN 42 Cb 0.24 0.30 0.02 0.00 -0.53 0.00 0.00 39.78 39.81 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1f8h n SER 43 N -1.43 0.37 -0.59 1.20 3.41 -0.88 -4.82 113.62 110.87 1f8h n SER 43 Ca 0.06 -2.01 -0.08 0.00 -0.26 0.00 0.00 58.87 56.59 1f8h n SER 43 Cb 0.34 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.32 -1.34 -3.69 4.33 4.81 -1.25 -4.86 118.16 115.83 1f8h n LYS 44 Ca 0.02 0.71 -0.28 0.00 -0.87 0.00 0.00 58.31 57.89 1f8h n LYS 44 Cb 0.07 -4.88 -0.03 0.00 0.02 0.00 0.00 35.03 30.21 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 -1.75 4.23 0.89 3.14 1.43 -1.26 -5.09 118.68 120.26 1f8h s LEU 45 Ca 0.00 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1f8h s LEU 45 Cb 0.00 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 43.17 1f8h s LEU 45 CO 0.00 -0.04 1.13 -2.16 0.23 0.00 0.00 176.35 175.52 1f8h s PRO 46 N -3.30 1.34 0.00 1.29 0.04 -1.26 -4.80 135.00 128.32 1f8h s PRO 46 Ca 0.39 0.33 0.15 0.00 0.04 0.00 0.00 61.00 61.90 1f8h s PRO 46 Cb -0.11 -1.86 0.82 0.00 0.04 0.00 0.00 34.50 33.39 1f8h s PRO 46 CO 0.29 -2.07 1.39 0.28 0.04 0.00 0.00 177.00 176.94 1f8h n VAL 47 N -3.68 0.39 0.10 -0.36 0.31 -1.26 -2.13 118.33 111.69 1f8h n VAL 47 Ca 0.07 0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.47 1f8h n VAL 47 Cb 0.59 -0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1f8h n VAL 47 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f8h h ASP 48 N 0.00 0.00 0.30 4.52 5.19 -1.97 0.14 116.42 124.60 1f8h h ASP 48 Ca 0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 1f8h h ASP 48 Cb 0.09 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1f8h h ASP 48 CO 0.00 0.76 -1.77 0.40 -3.12 0.00 0.00 179.24 175.51 1f8h h ILE 49 N 0.00 0.86 0.00 0.35 1.08 -1.79 -3.09 117.51 114.93 1f8h h ILE 49 Ca -0.01 -2.56 -0.12 0.00 -0.39 0.00 0.00 64.86 61.78 1f8h h ILE 49 Cb 1.57 2.60 -0.02 0.00 -3.07 0.00 0.00 36.82 37.90 1f8h h ILE 49 CO 0.10 0.80 -0.58 -0.07 -0.69 0.00 0.00 178.15 177.70 1f8h h LEU 50 N 0.06 0.00 -0.71 1.44 3.38 -1.59 2.28 115.31 120.17 1f8h h LEU 50 Ca -0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1f8h h LEU 50 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1f8h h LEU 50 CO 0.12 0.58 -0.41 1.23 0.09 0.00 0.00 178.44 180.05 1f8h h GLY 51 N 2.66 0.00 0.00 0.83 0.00 -0.82 -1.65 103.07 104.09 1f8h h GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.97 1f8h h GLY 51 CO 0.08 0.00 -2.32 -2.13 0.00 0.00 0.00 176.54 172.17 1f8h n ARG 52 N -3.45 0.85 0.05 4.80 0.63 -1.05 -3.64 116.66 114.85 1f8h n ARG 52 Ca 0.00 0.01 -0.06 0.00 -0.92 0.00 0.00 57.85 56.88 1f8h n ARG 52 Cb 0.57 -1.49 0.12 0.00 0.45 0.00 0.00 32.46 32.11 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 1.33 0.41 5.15 2.07 0.38 -2.88 116.25 122.71 1f8h h VAL 53 Ca -0.52 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 1f8h h VAL 53 Cb 2.14 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1f8h h VAL 53 CO 0.01 0.53 -0.20 -0.25 0.02 0.00 0.00 177.57 177.69 1f8h h TRP 54 N 0.31 -0.51 -0.39 1.57 2.91 -1.48 -2.03 115.95 116.34 1f8h h TRP 54 Ca 0.01 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.06 1f8h h TRP 54 Cb 0.99 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.75 1f8h h TRP 54 CO 0.03 -0.19 -0.33 0.93 -1.03 0.00 0.00 178.44 177.86 1f8h h GLU 55 N -0.96 -0.12 -0.00 2.65 4.39 -1.62 3.01 114.58 121.94 1f8h h GLU 55 Ca -0.06 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1f8h h GLU 55 Cb 0.55 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1f8h h GLU 55 CO 0.09 -0.08 0.22 -0.07 -1.16 0.00 0.00 179.01 178.01 1f8h h LEU 56 N -0.12 0.00 0.00 1.33 3.38 -1.59 0.74 115.31 119.04 1f8h h LEU 56 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f8h h LEU 56 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1f8h h LEU 56 CO -0.43 0.00 -1.15 -1.20 0.09 0.00 0.00 178.44 175.75 1f8h n SER 57 N -2.95 0.72 -4.38 -0.43 7.64 0.71 -4.59 113.62 110.33 1f8h n SER 57 Ca -0.02 0.27 -0.45 0.00 1.01 0.00 0.00 58.87 59.67 1f8h n SER 57 Cb 0.27 0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 64.15 1f8h n SER 57 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1f8h s ASP 58 N -5.19 6.92 0.07 6.43 2.15 0.84 -4.55 116.67 123.34 1f8h s ASP 58 Ca -0.02 -2.81 0.24 0.00 0.43 0.00 0.00 52.55 50.39 1f8h s ASP 58 Cb 0.10 -2.28 0.25 0.00 -0.30 0.00 0.00 42.92 40.69 1f8h s ASP 58 CO 0.81 -0.64 1.21 -0.38 -0.17 0.00 0.00 175.17 176.00 1f8h n ILE 59 N 4.10 0.22 0.76 4.11 5.41 -1.26 -3.81 119.36 128.89 1f8h n ILE 59 Ca 0.22 -0.21 0.11 0.00 1.00 0.00 0.00 62.75 63.87 1f8h n ILE 59 Cb 0.45 0.08 0.11 0.00 -0.71 0.00 0.00 39.64 39.57 1f8h n ILE 59 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1f8h n ASP 60 N -1.95 0.63 -3.62 4.38 8.00 -1.26 -4.97 116.55 117.76 1f8h n ASP 60 Ca 0.03 -0.25 -0.21 0.00 0.71 0.00 0.00 54.79 55.07 1f8h n ASP 60 Cb 0.42 0.53 0.06 0.00 -0.02 0.00 0.00 41.12 42.11 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 -1.79 -2.21 -1.73 1.24 8.25 -1.25 -4.90 115.22 112.84 1f8h n HIS 61 Ca 0.04 0.91 0.06 0.00 -0.26 0.00 0.00 57.72 58.46 1f8h n HIS 61 Cb 0.39 -4.67 0.11 0.00 1.12 0.00 0.00 29.99 26.94 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 -3.05 1.41 -3.45 0.41 5.75 -1.26 -4.96 116.55 111.41 1f8h n ASP 62 Ca -0.20 -2.91 -0.24 0.00 -0.01 0.00 0.00 54.79 51.42 1f8h n ASP 62 Cb 0.64 -0.39 0.06 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.64 -0.54 3.29 6.12 0.00 -1.26 -4.92 105.19 107.25 1f8h n GLY 63 Ca 0.12 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -6.15 1.02 -0.29 1.61 -1.94 -1.25 -0.48 119.30 111.80 1f8h s MET 64 Ca 0.51 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 1f8h s MET 64 Cb -0.23 0.41 0.09 0.00 2.01 0.00 0.00 34.83 37.11 1f8h s MET 64 CO 0.63 -0.37 0.02 -0.51 -0.01 0.00 0.00 175.02 174.78 1f8h s LEU 65 N -2.85 3.24 0.76 -0.03 1.43 0.51 -4.68 118.68 117.05 1f8h s LEU 65 Ca 0.06 -1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 51.40 1f8h s LEU 65 Cb 0.03 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 45.05 1f8h s LEU 65 CO -0.09 -0.34 1.08 1.51 0.23 0.00 0.00 176.35 178.74 1f8h s ASP 66 N 1.28 4.70 0.27 2.29 1.47 -1.26 -1.82 116.67 123.60 1f8h s ASP 66 Ca 0.04 1.73 0.06 0.00 1.18 0.00 0.00 52.55 55.57 1f8h s ASP 66 Cb -0.18 -2.48 0.78 0.00 -0.34 0.00 0.00 42.92 40.69 1f8h s ASP 66 CO -0.12 -1.90 1.29 -2.11 0.68 0.00 0.00 175.17 173.01 1f8h n ARG 67 N -3.43 -0.06 0.08 2.11 1.85 -1.22 0.15 116.66 116.13 1f8h n ARG 67 Ca 0.08 1.20 -0.10 0.00 -1.00 0.00 0.00 57.85 58.04 1f8h n ARG 67 Cb 0.53 -1.99 -0.11 0.00 -1.05 0.00 0.00 32.46 29.84 1f8h n ARG 67 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1f8h h ASP 68 N 0.00 0.17 0.00 2.89 1.82 -1.90 -3.08 116.42 116.32 1f8h h ASP 68 Ca 0.56 -0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.90 1f8h h ASP 68 Cb 1.29 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 41.25 1f8h h ASP 68 CO -0.73 1.12 -0.49 -0.33 -1.61 0.00 0.00 179.24 177.19 1f8h h GLU 69 N 0.03 0.33 0.00 0.28 5.08 0.10 -2.84 114.58 117.56 1f8h h GLU 69 Ca -0.06 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1f8h h GLU 69 Cb 1.80 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1f8h h GLU 69 CO 0.15 1.05 0.08 0.35 -1.00 0.00 0.00 179.01 179.65 1f8h h PHE 70 N -0.25 0.00 -0.02 4.33 3.04 0.70 -0.70 116.94 124.04 1f8h h PHE 70 Ca -0.06 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.78 1f8h h PHE 70 Cb 1.22 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.74 1f8h h PHE 70 CO 0.16 0.00 -0.41 0.00 -2.02 0.00 0.00 178.31 176.04 1f8h h ALA 71 N 1.82 0.07 -0.01 2.41 0.00 -1.40 -2.53 119.26 119.61 1f8h h ALA 71 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1f8h h ALA 71 Cb 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f8h h ALA 71 CO 0.00 0.22 0.01 0.28 0.00 0.00 0.00 179.25 179.76 1f8h h VAL 72 N -0.26 0.61 -0.01 0.00 2.07 -1.05 0.00 116.25 117.61 1f8h h VAL 72 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1f8h h VAL 72 Cb 1.13 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1f8h h VAL 72 CO 0.08 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.37 1f8h n ALA 73 N -2.36 3.17 -0.08 1.67 0.00 -1.04 -3.15 120.51 118.72 1f8h n ALA 73 Ca -0.03 -0.41 -0.18 0.00 0.00 0.00 0.00 53.44 52.82 1f8h n ALA 73 Cb 0.10 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 1f8h n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1f8h h MET 74 N 1.12 0.02 0.00 0.00 2.86 -0.54 -2.86 114.93 115.52 1f8h h MET 74 Ca 0.00 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1f8h h MET 74 Cb 0.52 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1f8h h MET 74 CO 0.00 1.02 -0.57 0.27 1.06 0.00 0.00 176.91 178.69 1f8h h PHE 75 N -0.95 0.00 0.00 -0.22 -5.15 -1.72 -1.31 116.94 107.60 1f8h h PHE 75 Ca -0.17 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.57 1f8h h PHE 75 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.35 1f8h h PHE 75 CO 0.19 0.57 -0.19 -0.07 -2.00 0.00 0.00 178.31 176.82 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.65 0.20 115.31 119.34 1f8h h LEU 76 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1f8h h LEU 76 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1f8h h LEU 76 CO 0.07 0.19 -1.37 0.52 0.09 0.00 0.00 178.44 177.95 1f8h n VAL 77 N -4.06 0.93 0.08 1.22 0.31 -0.91 -3.57 118.33 112.32 1f8h n VAL 77 Ca -0.02 -0.64 0.05 0.00 -0.01 0.00 0.00 64.34 63.72 1f8h n VAL 77 Cb 0.26 -0.55 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 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 -0.68 -3.29 116.97 116.57 1f8h h TYR 78 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1f8h h TYR 78 Cb 1.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.12 1f8h h TYR 78 CO 0.00 0.32 -0.26 0.00 -1.05 0.00 0.00 178.16 177.17 1f8h n ALA 80 N -1.68 2.93 -0.01 0.00 0.00 -1.05 1.00 120.51 121.70 1f8h n ALA 80 Ca 0.05 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1f8h n ALA 80 Cb 0.40 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.05 2.67 0.22 0.00 4.77 -1.19 -4.41 117.00 117.01 1f8h n LEU 81 Ca 0.04 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1f8h n LEU 81 Cb 0.43 -1.09 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1f8h n LEU 81 CO 0.36 0.86 0.41 -0.08 -1.33 0.00 0.00 177.39 177.61 1f8h h GLU 82 N 0.06 -0.58 0.00 3.23 4.57 -1.66 -3.47 114.58 116.74 1f8h h GLU 82 Ca -0.44 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1f8h h GLU 82 Cb 2.02 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.74 1f8h h GLU 82 CO 0.07 -0.28 0.00 1.17 -1.18 0.00 0.00 179.01 178.79 1f8h n LYS 83 N -5.20 0.00 -2.19 1.92 4.81 -1.15 -5.11 118.16 111.23 1f8h n LYS 83 Ca -0.10 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.92 1f8h n LYS 83 Cb 0.29 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.32 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1f8h s GLU 84 N 0.00 4.07 0.86 1.64 2.02 0.28 -4.92 118.70 122.65 1f8h s GLU 84 Ca 0.00 1.81 -0.12 0.00 0.02 0.00 0.00 54.97 56.69 1f8h s GLU 84 Cb 0.00 -3.93 0.11 0.00 0.10 0.00 0.00 34.13 30.41 1f8h s GLU 84 CO 0.00 -0.95 1.10 -1.25 0.02 0.00 0.00 175.26 174.17 1f8h s PRO 85 N 4.07 1.53 -0.15 0.39 0.04 -1.26 -2.52 135.00 137.10 1f8h s PRO 85 Ca 0.66 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1f8h s PRO 85 Cb -0.26 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1f8h s PRO 85 CO 0.24 -2.02 -0.09 0.08 0.04 0.00 0.00 177.00 175.25 1f8h s VAL 86 N -3.04 3.41 0.00 -0.36 1.01 -1.26 -4.88 120.40 115.29 1f8h s VAL 86 Ca 0.62 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1f8h s VAL 86 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1f8h s VAL 86 CO 0.56 0.50 0.00 -0.81 0.00 0.00 0.00 175.10 175.35 1f8h n PRO 87 N 3.64 1.75 0.00 2.72 -0.04 -1.26 -4.98 135.00 136.83 1f8h n PRO 87 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1f8h n PRO 87 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1f8h n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8h n MET 88 N -0.17 0.11 -3.54 0.54 0.00 -1.26 -4.69 117.12 108.11 1f8h n MET 88 Ca 0.00 -0.48 -0.41 0.00 0.00 0.00 0.00 57.70 56.81 1f8h n MET 88 Cb 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 33.22 32.39 1f8h n MET 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1f8h s SER 89 N -0.15 5.75 -0.47 3.17 0.01 -1.26 -4.79 113.70 115.96 1f8h s SER 89 Ca 0.00 -1.71 -0.32 0.00 1.31 0.00 0.00 55.95 55.23 1f8h s SER 89 Cb 0.00 -2.03 -0.12 0.00 0.21 0.00 0.00 66.02 64.08 1f8h s SER 89 CO 0.00 -0.65 2.33 0.18 0.41 0.00 0.00 173.24 175.51 1f8h n LEU 90 N 4.96 1.96 -4.72 2.44 4.77 -1.26 -4.89 117.00 120.26 1f8h n LEU 90 Ca -0.10 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 1f8h n LEU 90 Cb 0.42 -1.31 0.14 0.00 -2.33 0.00 0.00 43.42 40.34 1f8h n LEU 90 CO 0.43 -0.93 0.67 -2.16 -1.33 0.00 0.00 177.39 174.06 1f8h s PRO 91 N 7.16 1.22 0.37 3.23 0.04 -1.26 -4.95 135.00 140.81 1f8h s PRO 91 Ca 1.10 0.80 0.19 0.00 0.04 0.00 0.00 61.00 63.13 1f8h s PRO 91 Cb -0.72 -1.81 0.64 0.00 0.04 0.00 0.00 34.50 32.65 1f8h s PRO 91 CO 0.43 -2.26 1.71 -1.00 0.04 0.00 0.00 177.00 175.92 1f8h h PRO 92 N -1.57 0.00 -0.12 0.56 0.13 -1.96 -2.73 132.00 126.32 1f8h h PRO 92 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1f8h h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1f8h h PRO 92 CO 0.55 0.38 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 1f8h n ALA 93 N -2.29 2.53 0.13 -0.56 0.00 -1.26 -3.48 120.51 115.58 1f8h n ALA 93 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.13 1f8h n ALA 93 Cb 0.52 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1f8h n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f8h n LEU 94 N -0.13 1.23 -4.54 0.00 7.99 -1.03 0.18 117.00 120.70 1f8h n LEU 94 Ca 0.12 -0.99 -0.34 0.00 -0.01 0.00 0.00 56.01 54.79 1f8h n LEU 94 Cb 0.18 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.38 1f8h n LEU 94 CO 0.09 0.28 -0.39 0.68 -1.51 0.00 0.00 177.39 176.54 1f8h s VAL 95 N -0.27 3.61 1.15 4.08 -7.23 -1.23 -4.92 120.40 115.59 1f8h s VAL 95 Ca 0.04 -0.50 -0.18 0.00 -1.81 0.00 0.00 61.98 59.53 1f8h s VAL 95 Cb 0.03 -2.48 0.26 0.00 0.56 0.00 0.00 36.38 34.74 1f8h s VAL 95 CO 0.04 0.58 1.11 -2.16 -0.31 0.00 0.00 175.10 174.36 1f8h s PRO 96 N -0.57 -0.82 0.06 4.82 0.04 -1.26 -4.89 135.00 132.38 1f8h s PRO 96 Ca 0.08 0.05 0.17 0.00 0.04 0.00 0.00 61.00 61.34 1f8h s PRO 96 Cb -0.12 -1.63 0.71 0.00 0.04 0.00 0.00 34.50 33.50 1f8h s PRO 96 CO 0.02 -3.47 1.53 -0.35 0.04 0.00 0.00 177.00 174.77 1f8h n PRO 97 N -4.61 0.04 0.05 0.56 -0.04 -1.26 -2.07 135.00 127.68 1f8h n PRO 97 Ca 0.11 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1f8h n PRO 97 Cb 0.59 -1.58 0.49 0.00 -0.04 0.00 0.00 33.50 32.96 1f8h n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f8h n SER 98 N -1.67 0.43 -0.24 3.54 2.88 -1.26 -2.76 113.62 114.54 1f8h n SER 98 Ca 0.03 0.51 0.13 0.00 -1.33 0.00 0.00 58.87 58.22 1f8h n SER 98 Cb 0.19 -0.61 0.41 0.00 -0.75 0.00 0.00 64.21 63.45 1f8h n SER 98 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1f8h n LYS 99 N -1.90 0.87 0.00 -1.46 3.00 -0.88 -5.19 118.16 112.61 1f8h n LYS 99 Ca 0.06 -0.49 0.15 0.00 -0.00 0.00 0.00 58.31 58.03 1f8h n LYS 99 Cb 0.39 -1.49 0.82 0.00 0.00 0.00 0.00 35.03 34.74 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94