#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 1.85 -0.51 0.54 -0.00 -1.26 -4.73 117.44 113.33 1f8h n TRP 7 Ca 0.00 0.52 0.43 0.00 -0.00 0.00 0.00 57.50 58.45 1f8h n TRP 7 Cb 0.00 -2.40 0.69 0.00 -0.00 0.00 0.00 31.31 29.61 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 3.98 3.50 -3.65 5.87 0.00 0.20 -3.35 119.26 125.82 1f8h h ALA 8 Ca -0.44 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 1f8h h ALA 8 Cb 1.30 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.97 1f8h h ALA 8 CO 0.74 -2.12 -0.75 0.08 0.00 0.00 0.00 179.25 177.20 1f8h s VAL 9 N -4.72 3.19 0.70 0.00 1.01 -1.26 -5.07 120.40 114.25 1f8h s VAL 9 Ca -0.04 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1f8h s VAL 9 Cb 0.22 -2.31 0.14 0.00 0.00 0.00 0.00 36.38 34.43 1f8h s VAL 9 CO 0.74 0.56 0.96 0.29 0.00 0.00 0.00 175.10 177.66 1f8h n LYS 10 N 2.88 0.01 0.02 2.72 4.01 -1.26 -4.85 118.16 121.69 1f8h n LYS 10 Ca -0.18 -2.79 -0.07 0.00 -0.51 0.00 0.00 58.31 54.76 1f8h n LYS 10 Cb 0.52 -0.59 0.11 0.00 -0.51 0.00 0.00 35.03 34.56 1f8h n LYS 10 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1f8h h PRO 11 N 0.00 0.49 0.02 1.97 0.13 -1.96 0.27 132.00 132.92 1f8h h PRO 11 Ca -0.32 -0.27 -0.21 0.00 -0.87 0.00 0.00 66.00 64.33 1f8h h PRO 11 Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1f8h h PRO 11 CO 0.36 0.86 -0.93 0.93 -0.23 0.00 0.00 178.00 178.98 1f8h h GLU 12 N 0.40 0.24 0.03 0.86 4.39 -1.98 -0.16 114.58 118.35 1f8h h GLU 12 Ca 0.02 -0.28 -0.23 0.00 0.34 0.00 0.00 59.36 59.22 1f8h h GLU 12 Cb 0.96 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1f8h h GLU 12 CO 0.09 1.01 -0.99 -0.44 -1.16 0.00 0.00 179.01 177.52 1f8h h ASP 13 N 0.13 0.42 1.67 1.42 3.32 -1.91 -2.94 116.42 118.53 1f8h h ASP 13 Ca -0.06 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1f8h h ASP 13 Cb 1.58 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 1f8h h ASP 13 CO 0.15 1.19 -0.01 0.50 -1.72 0.00 0.00 179.24 179.35 1f8h h LYS 14 N 0.16 0.00 -0.20 3.56 3.64 -0.43 -2.82 116.57 120.48 1f8h h LYS 14 Ca -0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1f8h h LYS 14 Cb 1.65 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1f8h h LYS 14 CO 0.16 0.01 -0.11 0.00 -2.27 0.00 0.00 179.45 177.24 1f8h h ALA 15 N 1.99 0.28 0.00 5.00 0.00 -0.84 0.24 119.26 125.92 1f8h h ALA 15 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1f8h h ALA 15 Cb 0.85 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1f8h h ALA 15 CO 0.00 0.13 -0.06 1.57 0.00 0.00 0.00 179.25 180.89 1f8h h LYS 16 N 0.11 0.00 0.00 0.00 2.10 -1.50 -1.99 116.57 115.29 1f8h h LYS 16 Ca 0.04 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.50 1f8h h LYS 16 Cb 0.61 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 1f8h h LYS 16 CO 0.03 0.06 -0.94 1.88 -2.00 0.00 0.00 179.45 178.48 1f8h h TYR 17 N 0.00 0.00 0.00 0.07 0.05 -1.16 -3.08 116.97 112.85 1f8h h TYR 17 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1f8h h TYR 17 Cb 0.55 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 1f8h h TYR 17 CO 0.00 0.93 -0.01 0.22 -1.05 0.00 0.00 178.16 178.25 1f8h h ASP 18 N 0.00 0.00 0.74 3.88 3.58 0.20 -0.67 116.42 124.14 1f8h h ASP 18 Ca -0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.18 1f8h h ASP 18 Cb 1.72 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.75 1f8h h ASP 18 CO 0.12 0.01 -1.23 0.00 -2.88 0.00 0.00 179.24 175.26 1f8h h ALA 19 N 1.99 0.28 0.06 -0.78 0.00 -1.44 -2.06 119.26 117.31 1f8h h ALA 19 Ca -0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 54.91 53.69 1f8h h ALA 19 Cb 0.83 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1f8h h ALA 19 CO 0.00 1.16 -1.08 0.82 0.00 0.00 0.00 179.25 180.16 1f8h h ILE 20 N 0.04 1.56 -0.27 0.00 2.04 -1.44 -0.91 117.51 118.53 1f8h h ILE 20 Ca -0.12 -3.05 -0.10 0.00 1.00 0.00 0.00 64.86 62.59 1f8h h ILE 20 Cb 1.90 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 40.76 1f8h h ILE 20 CO 0.16 0.89 -0.28 0.15 0.00 0.00 0.00 178.15 179.07 1f8h h PHE 21 N 0.06 0.60 -0.01 1.37 3.04 -1.14 -2.51 116.94 118.36 1f8h h PHE 21 Ca -0.07 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1f8h h PHE 21 Cb 1.79 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 40.16 1f8h h PHE 21 CO 0.04 0.76 -0.30 -3.47 -2.02 0.00 0.00 178.31 173.31 1f8h n ASP 22 N -4.10 1.05 0.11 0.41 -0.08 -0.78 -3.69 116.55 109.48 1f8h n ASP 22 Ca -0.01 -0.89 0.13 0.00 -1.51 0.00 0.00 54.79 52.52 1f8h n ASP 22 Cb 0.43 0.18 0.42 0.00 2.34 0.00 0.00 41.12 44.49 1f8h n ASP 22 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1f8h n SER 23 N -0.68 0.78 -0.10 1.67 3.41 -0.35 -3.80 113.62 114.56 1f8h n SER 23 Ca 0.11 0.58 -0.15 0.00 -0.26 0.00 0.00 58.87 59.16 1f8h n SER 23 Cb 0.36 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.24 1.87 0.00 1.04 4.77 -1.23 -5.05 117.00 116.16 1f8h n LEU 24 Ca 0.05 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1f8h n LEU 24 Cb 0.41 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1f8h n LEU 24 CO 0.29 -0.03 0.00 -0.24 -1.33 0.00 0.00 177.39 176.08 1f8h n SER 25 N -4.48 0.00 -4.79 -1.43 2.88 -1.25 -5.09 113.62 99.46 1f8h n SER 25 Ca -0.24 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.95 1f8h n SER 25 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1f8h n SER 25 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f8h s PRO 26 N 0.00 3.88 -0.29 -1.46 0.04 -1.26 -4.78 135.00 131.13 1f8h s PRO 26 Ca 0.00 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.46 1f8h s PRO 26 Cb 0.00 -2.20 0.09 0.00 0.04 0.00 0.00 34.50 32.42 1f8h s PRO 26 CO 0.00 -0.37 0.02 0.08 0.04 0.00 0.00 177.00 176.78 1f8h s VAL 27 N -1.89 1.62 -0.68 -0.36 1.01 0.11 -4.69 120.40 115.51 1f8h s VAL 27 Ca 0.65 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1f8h s VAL 27 Cb -0.18 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1f8h s VAL 27 CO 0.22 -0.44 0.00 -3.20 0.00 0.00 0.00 175.10 171.68 1f8h n ASN 28 N 4.57 -5.35 0.00 3.32 5.15 -1.26 -2.03 115.26 119.66 1f8h n ASN 28 Ca -0.04 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1f8h n ASN 28 Cb 0.43 -3.42 0.00 0.00 -0.53 0.00 0.00 39.78 36.26 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 -0.10 1.73 3.15 8.20 0.00 -1.26 -5.10 105.19 111.82 1f8h n GLY 29 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.07 0.24 1.61 0.08 -0.86 -3.61 117.98 113.37 1f8h s PHE 30 Ca 0.00 0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.23 1f8h s PHE 30 Cb 0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 1f8h s PHE 30 CO 0.00 -0.30 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.27 1f8h s LEU 31 N -1.19 3.10 -0.03 -0.37 1.43 -0.89 0.05 118.68 120.77 1f8h s LEU 31 Ca -0.13 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1f8h s LEU 31 Cb -0.06 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1f8h s LEU 31 CO 0.02 0.03 0.05 -0.94 0.23 0.00 0.00 176.35 175.75 1f8h s SER 32 N -3.44 5.55 0.61 2.29 1.04 -1.26 -0.54 113.70 117.95 1f8h s SER 32 Ca 0.30 0.15 0.27 0.00 0.48 0.00 0.00 55.95 57.15 1f8h s SER 32 Cb -0.07 -1.59 1.06 0.00 0.10 0.00 0.00 66.02 65.53 1f8h s SER 32 CO 0.18 0.31 1.46 1.23 0.98 0.00 0.00 173.24 177.41 1f8h h GLY 33 N 4.48 0.00 2.00 7.32 0.00 -1.19 2.47 103.07 118.15 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 0.59 0.00 -0.22 -1.80 0.00 0.00 0.00 176.54 175.11 1f8h h ASP 34 N 0.00 0.00 0.17 0.19 3.58 -1.92 0.62 116.42 119.07 1f8h h ASP 34 Ca 0.40 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.50 1f8h h ASP 34 Cb 2.40 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.41 1f8h h ASP 34 CO -0.00 0.22 -2.10 0.29 -2.88 0.00 0.00 179.24 174.77 1f8h n LYS 35 N -3.40 0.69 0.06 0.28 5.02 0.82 -4.34 118.16 117.29 1f8h n LYS 35 Ca 0.00 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 1f8h n LYS 35 Cb 0.43 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.38 -1.00 -0.18 2.07 -1.26 -3.15 116.25 114.14 1f8h h VAL 36 Ca -0.44 -2.41 0.15 0.00 0.82 0.00 0.00 66.70 64.82 1f8h h VAL 36 Cb 2.04 2.85 -0.16 0.00 -1.52 0.00 0.00 31.29 34.50 1f8h h VAL 36 CO 0.04 0.71 -0.40 0.50 0.02 0.00 0.00 177.57 178.44 1f8h h LYS 37 N -0.01 -0.00 -0.22 1.57 3.64 0.07 1.11 116.57 122.72 1f8h h LYS 37 Ca -0.15 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1f8h h LYS 37 Cb 1.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 1f8h h LYS 37 CO 0.19 -0.00 -0.24 -1.00 -2.27 0.00 0.00 179.45 176.12 1f8h h PRO 38 N -0.00 0.41 -0.45 1.90 0.13 -1.76 0.26 132.00 132.49 1f8h h PRO 38 Ca 0.34 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 1f8h h PRO 38 Cb 0.59 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1f8h h PRO 38 CO -0.99 0.63 0.17 0.28 -0.23 0.00 0.00 178.00 177.86 1f8h h VAL 39 N 0.36 1.18 0.00 1.56 2.07 0.11 -1.56 116.25 119.97 1f8h h VAL 39 Ca 0.06 -0.56 -0.27 0.00 0.82 0.00 0.00 66.70 66.74 1f8h h VAL 39 Cb 0.63 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1f8h h VAL 39 CO 0.04 0.22 -1.54 -0.07 0.02 0.00 0.00 177.57 176.24 1f8h h LEU 40 N 0.64 0.00 -0.58 2.57 3.38 0.07 -3.26 115.31 118.13 1f8h h LEU 40 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1f8h h LEU 40 Cb 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1f8h h LEU 40 CO -0.01 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.70 1f8h n LEU 41 N -3.12 0.57 -0.32 1.67 4.77 0.87 -1.61 117.00 119.83 1f8h n LEU 41 Ca -0.13 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1f8h n LEU 41 Cb 1.03 -0.56 0.36 0.00 -2.33 0.00 0.00 43.42 41.91 1f8h n LEU 41 CO 0.45 -0.51 0.65 0.59 -1.33 0.00 0.00 177.39 177.25 1f8h n ASN 42 N -2.13 1.24 -0.59 -1.43 4.13 -0.62 -3.95 115.26 111.91 1f8h n ASN 42 Ca 0.02 -1.07 0.02 0.00 1.68 0.00 0.00 54.58 55.23 1f8h n ASN 42 Cb 0.22 0.14 0.07 0.00 -1.54 0.00 0.00 39.78 38.68 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1f8h n SER 43 N -0.42 1.48 -0.30 6.41 7.64 -0.63 -4.82 113.62 122.99 1f8h n SER 43 Ca 0.13 -2.11 -0.04 0.00 1.01 0.00 0.00 58.87 57.86 1f8h n SER 43 Cb 0.37 -0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1f8h n SER 43 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1f8h n LYS 44 N 0.04 -1.87 -3.88 1.43 4.81 -1.25 -4.80 118.16 112.64 1f8h n LYS 44 Ca 0.05 0.63 -0.28 0.00 -0.87 0.00 0.00 58.31 57.84 1f8h n LYS 44 Cb 0.32 -5.09 -0.03 0.00 0.02 0.00 0.00 35.03 30.25 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 -0.90 4.32 1.02 3.14 1.43 -1.26 -5.08 118.68 121.35 1f8h s LEU 45 Ca 0.00 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 1f8h s LEU 45 Cb 0.00 -2.99 0.21 0.00 0.03 0.00 0.00 46.19 43.44 1f8h s LEU 45 CO 0.00 0.06 1.21 -2.16 0.23 0.00 0.00 176.35 175.70 1f8h s PRO 46 N -3.04 0.21 0.00 1.29 0.04 -1.26 -4.78 135.00 127.45 1f8h s PRO 46 Ca 0.36 -0.14 0.21 0.00 0.04 0.00 0.00 61.00 61.46 1f8h s PRO 46 Cb -0.12 -1.77 1.11 0.00 0.04 0.00 0.00 34.50 33.76 1f8h s PRO 46 CO 0.28 -2.75 1.64 0.28 0.04 0.00 0.00 177.00 176.49 1f8h n VAL 47 N -4.06 0.24 0.05 -0.36 0.31 -1.26 -2.54 118.33 110.71 1f8h n VAL 47 Ca 0.12 0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 1f8h n VAL 47 Cb 0.59 -0.73 -0.12 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.03 0.19 4.52 5.19 -1.96 0.19 116.42 124.59 1f8h h ASP 48 Ca 0.00 -0.04 -0.35 0.00 -0.62 0.00 0.00 57.03 56.02 1f8h h ASP 48 Cb 0.12 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1f8h h ASP 48 CO 0.00 1.03 -1.86 0.40 -3.12 0.00 0.00 179.24 175.69 1f8h h ILE 49 N 0.01 0.79 0.00 0.35 1.08 -1.85 -2.93 117.51 114.96 1f8h h ILE 49 Ca -0.07 -2.45 -0.12 0.00 -0.39 0.00 0.00 64.86 61.83 1f8h h ILE 49 Cb 1.83 2.62 -0.02 0.00 -3.07 0.00 0.00 36.82 38.18 1f8h h ILE 49 CO 0.13 0.86 -0.57 -0.07 -0.69 0.00 0.00 178.15 177.81 1f8h h LEU 50 N 0.08 0.00 -0.76 1.44 3.38 -1.61 2.16 115.31 120.00 1f8h h LEU 50 Ca -0.38 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1f8h h LEU 50 Cb 2.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 1f8h h LEU 50 CO 0.13 0.57 -0.13 1.23 0.09 0.00 0.00 178.44 180.32 1f8h h GLY 51 N 2.39 0.00 0.00 0.83 0.00 -0.71 -1.40 103.07 104.18 1f8h h GLY 51 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1f8h h GLY 51 CO 0.07 0.00 -2.42 0.54 0.00 0.00 0.00 176.54 174.73 1f8h n ARG 52 N -3.20 0.68 0.13 4.80 1.74 -0.87 -3.34 116.66 116.60 1f8h n ARG 52 Ca 0.02 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.14 1f8h n ARG 52 Cb 0.46 -1.52 0.25 0.00 -1.02 0.00 0.00 32.46 30.63 1f8h n ARG 52 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1f8h h VAL 53 N 0.00 1.32 0.10 1.55 2.07 0.36 -2.01 116.25 119.64 1f8h h VAL 53 Ca -0.56 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1f8h h VAL 53 Cb 2.12 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1f8h h VAL 53 CO -0.01 0.46 -0.05 -0.25 0.02 0.00 0.00 177.57 177.73 1f8h h TRP 54 N 0.10 -0.13 0.11 1.57 2.91 -1.43 -2.36 115.95 116.72 1f8h h TRP 54 Ca 0.01 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.04 1f8h h TRP 54 Cb 0.83 0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.47 1f8h h TRP 54 CO 0.01 0.29 -0.45 0.93 -1.03 0.00 0.00 178.44 178.19 1f8h h GLU 55 N -0.95 -0.65 0.00 2.65 4.39 -1.55 3.03 114.58 121.50 1f8h h GLU 55 Ca -0.01 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1f8h h GLU 55 Cb 0.48 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1f8h h GLU 55 CO 0.02 -0.44 0.03 -0.07 -1.16 0.00 0.00 179.01 177.40 1f8h h LEU 56 N -0.68 0.00 0.11 1.33 3.38 -1.51 -1.23 115.31 116.72 1f8h h LEU 56 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 1f8h h LEU 56 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1f8h h LEU 56 CO -0.27 0.00 -2.04 -0.24 0.09 0.00 0.00 178.44 175.98 1f8h n SER 57 N -2.48 2.11 -4.55 -0.43 2.88 0.28 -4.75 113.62 106.68 1f8h n SER 57 Ca -0.02 0.17 -0.34 0.00 -1.33 0.00 0.00 58.87 57.36 1f8h n SER 57 Cb 0.07 -0.82 -0.04 0.00 -0.75 0.00 0.00 64.21 62.68 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 -6.98 4.85 0.25 -3.46 -1.08 0.94 -4.73 116.67 106.47 1f8h s ASP 58 Ca -0.24 0.40 0.07 0.00 -0.52 0.00 0.00 52.55 52.27 1f8h s ASP 58 Cb 0.07 -2.53 0.30 0.00 -1.46 0.00 0.00 42.92 39.30 1f8h s ASP 58 CO 0.75 -2.74 1.58 0.40 0.52 0.00 0.00 175.17 175.68 1f8h h ILE 59 N 7.27 1.42 -0.00 4.11 1.08 -1.85 -3.17 117.51 126.36 1f8h h ILE 59 Ca -0.18 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.23 1f8h h ILE 59 Cb 1.16 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1f8h h ILE 59 CO 1.18 0.60 -0.68 -0.90 -0.69 0.00 0.00 178.15 177.65 1f8h n ASP 60 N -3.84 0.77 -3.78 1.72 5.68 -1.26 -5.00 116.55 110.85 1f8h n ASP 60 Ca -0.02 -0.89 -0.23 0.00 -0.50 0.00 0.00 54.79 53.15 1f8h n ASP 60 Cb 0.62 0.96 0.02 0.00 -1.14 0.00 0.00 41.12 41.58 1f8h n ASP 60 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1f8h n HIS 61 N -1.27 -1.83 -1.03 2.11 8.25 -1.20 -4.87 115.22 115.38 1f8h n HIS 61 Ca 0.03 0.78 0.07 0.00 -0.26 0.00 0.00 57.72 58.34 1f8h n HIS 61 Cb 0.24 -4.09 0.26 0.00 1.12 0.00 0.00 29.99 27.52 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 -3.00 3.78 -0.78 0.41 5.75 -1.26 -4.91 116.55 116.54 1f8h n ASP 62 Ca -0.28 -3.09 -0.05 0.00 -0.01 0.00 0.00 54.79 51.36 1f8h n ASP 62 Cb 0.67 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.57 0.28 3.30 6.12 0.00 -1.26 -4.97 105.19 108.10 1f8h n GLY 63 Ca 0.23 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.56 1.04 -0.31 1.61 -1.94 -1.26 -0.60 119.30 113.29 1f8h s MET 64 Ca 0.04 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1f8h s MET 64 Cb -0.02 0.42 0.10 0.00 2.01 0.00 0.00 34.83 37.34 1f8h s MET 64 CO 0.05 -0.39 0.10 -0.51 -0.01 0.00 0.00 175.02 174.27 1f8h s LEU 65 N -2.86 2.18 0.76 -0.03 1.43 0.30 -4.73 118.68 115.72 1f8h s LEU 65 Ca 0.07 -1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 51.41 1f8h s LEU 65 Cb 0.03 -0.85 0.05 0.00 0.03 0.00 0.00 46.19 45.45 1f8h s LEU 65 CO -0.09 -0.41 1.08 1.51 0.23 0.00 0.00 176.35 178.67 1f8h s ASP 66 N 1.61 4.71 0.25 2.29 1.47 -1.26 -2.10 116.67 123.63 1f8h s ASP 66 Ca 0.10 1.73 0.07 0.00 1.18 0.00 0.00 52.55 55.62 1f8h s ASP 66 Cb -0.17 -2.48 0.73 0.00 -0.34 0.00 0.00 42.92 40.65 1f8h s ASP 66 CO -0.25 -1.89 1.17 -2.11 0.68 0.00 0.00 175.17 172.77 1f8h n ARG 67 N -3.42 -0.05 0.09 2.11 1.85 -1.24 0.24 116.66 116.23 1f8h n ARG 67 Ca 0.08 1.08 -0.14 0.00 -1.00 0.00 0.00 57.85 57.88 1f8h n ARG 67 Cb 0.53 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 30.06 1f8h n ARG 67 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1f8h h ASP 68 N 0.00 0.45 -0.06 2.89 5.19 -1.90 -2.92 116.42 120.07 1f8h h ASP 68 Ca 0.52 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1f8h h ASP 68 Cb 1.20 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 1f8h h ASP 68 CO -0.66 1.25 -0.07 -0.08 -3.12 0.00 0.00 179.24 176.57 1f8h h GLU 69 N 0.15 0.15 0.00 3.56 4.81 0.29 -2.47 114.58 121.06 1f8h h GLU 69 Ca -0.10 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1f8h h GLU 69 Cb 1.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1f8h h GLU 69 CO 0.18 0.61 0.00 0.34 -0.73 0.00 0.00 179.01 179.41 1f8h n PHE 70 N -4.72 0.65 -0.01 0.92 -0.00 0.32 -1.81 117.46 112.81 1f8h n PHE 70 Ca -0.08 0.33 -0.17 0.00 -0.00 0.00 0.00 57.45 57.54 1f8h n PHE 70 Cb 0.31 -1.03 -0.13 0.00 -0.00 0.00 0.00 39.48 38.63 1f8h n PHE 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1f8h h ALA 71 N 2.03 -0.03 -0.09 3.13 0.00 -1.24 -2.44 119.26 120.61 1f8h h ALA 71 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.36 1f8h h ALA 71 Cb 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1f8h h ALA 71 CO 0.00 0.17 0.07 0.28 0.00 0.00 0.00 179.25 179.77 1f8h h VAL 72 N -0.64 0.91 -0.01 0.00 2.07 -1.21 0.47 116.25 117.85 1f8h h VAL 72 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1f8h h VAL 72 Cb 1.27 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1f8h h VAL 72 CO 0.07 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 1f8h n ALA 73 N -2.54 2.81 -0.08 1.67 0.00 -1.10 -3.23 120.51 118.05 1f8h n ALA 73 Ca -0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1f8h n ALA 73 Cb 0.18 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 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 1.83 0.05 0.00 0.00 2.86 -0.39 -3.05 114.93 116.24 1f8h h MET 74 Ca 0.00 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1f8h h MET 74 Cb 0.51 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1f8h h MET 74 CO 0.00 1.04 -0.34 0.27 1.06 0.00 0.00 176.91 178.95 1f8h h PHE 75 N -0.82 0.00 0.00 -0.22 -5.15 -1.71 -1.10 116.94 107.95 1f8h h PHE 75 Ca -0.30 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.39 1f8h h PHE 75 Cb 1.39 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.55 1f8h h PHE 75 CO 0.12 0.34 -0.35 -0.07 -2.00 0.00 0.00 178.31 176.35 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.68 -0.51 115.31 118.59 1f8h h LEU 76 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1f8h h LEU 76 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1f8h h LEU 76 CO 0.04 0.35 -1.35 0.52 0.09 0.00 0.00 178.44 178.09 1f8h n VAL 77 N -3.61 0.93 0.08 1.22 0.31 -0.98 -3.55 118.33 112.72 1f8h n VAL 77 Ca -0.01 -0.64 -0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1f8h n VAL 77 Cb 0.47 -0.55 -0.05 0.00 -0.91 0.00 0.00 33.84 32.80 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 -0.94 -3.26 116.97 116.34 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 1.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1f8h h TYR 78 CO 0.00 0.63 -0.11 0.00 -1.05 0.00 0.00 178.16 177.63 1f8h n ALA 80 N -1.97 3.04 -0.05 0.00 0.00 -0.35 0.21 120.51 121.39 1f8h n ALA 80 Ca 0.04 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1f8h n ALA 80 Cb 0.49 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.34 2.25 0.03 0.00 4.77 -1.15 -4.41 117.00 117.15 1f8h n LEU 81 Ca 0.08 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1f8h n LEU 81 Cb 0.33 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 1f8h n LEU 81 CO 0.30 0.57 0.51 -0.33 -1.33 0.00 0.00 177.39 177.12 1f8h h GLU 82 N -0.47 -0.12 0.00 3.23 4.39 -1.65 -3.47 114.58 116.49 1f8h h GLU 82 Ca -0.40 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1f8h h GLU 82 Cb 1.68 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1f8h h GLU 82 CO -0.07 0.36 0.00 1.17 -1.16 0.00 0.00 179.01 179.32 1f8h n LYS 83 N -4.89 0.00 -1.88 2.33 4.81 -1.05 -5.10 118.16 112.38 1f8h n LYS 83 Ca -0.08 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.93 1f8h n LYS 83 Cb 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.30 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 3.31 0.11 1.64 2.02 0.55 -4.85 118.70 121.48 1f8h s GLU 84 Ca 0.00 1.65 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 1f8h s GLU 84 Cb 0.00 -4.24 0.03 0.00 0.10 0.00 0.00 34.13 30.01 1f8h s GLU 84 CO 0.00 -1.89 0.11 -0.35 0.02 0.00 0.00 175.26 173.14 1f8h n PRO 85 N 8.49 -1.01 -3.82 0.39 -0.04 -1.26 -1.21 135.00 136.53 1f8h n PRO 85 Ca 0.25 -0.17 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 1f8h n PRO 85 Cb 0.46 -0.15 -0.17 0.00 -0.04 0.00 0.00 33.50 33.60 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 -1.20 0.11 0.54 0.52 1.01 -1.26 -4.73 120.40 115.39 1f8h s VAL 86 Ca 0.07 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 1f8h s VAL 86 Cb -0.01 -0.27 0.12 0.00 0.00 0.00 0.00 36.38 36.23 1f8h s VAL 86 CO 0.05 0.17 0.73 -0.81 0.00 0.00 0.00 175.10 175.24 1f8h n PRO 87 N 4.62 -0.41 -0.24 2.72 -0.04 -1.26 -4.96 135.00 135.43 1f8h n PRO 87 Ca -0.17 -1.41 0.06 0.00 -0.04 0.00 0.00 63.50 61.94 1f8h n PRO 87 Cb 0.50 -0.66 0.18 0.00 -0.04 0.00 0.00 33.50 33.48 1f8h n PRO 87 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1f8h n MET 88 N -2.48 2.90 -3.69 0.54 2.81 -1.26 -4.81 117.12 111.12 1f8h n MET 88 Ca 0.10 -2.24 -0.38 0.00 -1.81 0.00 0.00 57.70 53.37 1f8h n MET 88 Cb 0.36 -1.41 -0.11 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.21 5.43 -0.42 7.83 0.01 -1.26 -4.88 113.70 119.20 1f8h s SER 89 Ca 0.28 -1.86 -0.32 0.00 1.31 0.00 0.00 55.95 55.37 1f8h s SER 89 Cb 0.17 -1.90 -0.10 0.00 0.21 0.00 0.00 66.02 64.40 1f8h s SER 89 CO 0.14 -0.57 2.30 -0.11 0.41 0.00 0.00 173.24 175.41 1f8h n LEU 90 N 4.74 2.19 -4.67 2.44 0.00 -1.26 -4.90 117.00 115.54 1f8h n LEU 90 Ca -0.06 0.15 -0.29 0.00 0.00 0.00 0.00 56.01 55.82 1f8h n LEU 90 Cb 0.42 -1.35 0.18 0.00 0.00 0.00 0.00 43.42 42.67 1f8h n LEU 90 CO 0.36 -0.90 0.64 -2.16 0.00 0.00 0.00 177.39 175.33 1f8h s PRO 91 N 6.97 0.27 0.44 1.96 0.04 -1.26 -4.94 135.00 138.48 1f8h s PRO 91 Ca 1.08 0.45 0.25 0.00 0.04 0.00 0.00 61.00 62.82 1f8h s PRO 91 Cb -0.66 -1.72 0.69 0.00 0.04 0.00 0.00 34.50 32.85 1f8h s PRO 91 CO 0.42 -2.82 1.73 -1.00 0.04 0.00 0.00 177.00 175.36 1f8h h PRO 92 N -1.96 0.00 -0.04 0.56 0.13 -1.96 -2.84 132.00 125.89 1f8h h PRO 92 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1f8h h PRO 92 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1f8h h PRO 92 CO 0.57 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1f8h n ALA 93 N -2.15 2.58 -0.10 -0.56 0.00 -1.26 -3.22 120.51 115.80 1f8h n ALA 93 Ca 0.02 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.29 1f8h n ALA 93 Cb 0.48 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.50 2.54 -3.96 0.00 7.99 -1.07 0.20 117.00 122.21 1f8h n LEU 94 Ca 0.13 -1.97 -0.31 0.00 -0.01 0.00 0.00 56.01 53.85 1f8h n LEU 94 Cb 0.12 -0.14 -0.15 0.00 -0.11 0.00 0.00 43.42 43.14 1f8h n LEU 94 CO 0.10 0.63 -0.41 -0.69 -1.51 0.00 0.00 177.39 175.51 1f8h s VAL 95 N -0.99 1.72 0.88 4.08 1.01 -1.20 -4.96 120.40 120.95 1f8h s VAL 95 Ca 0.14 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.53 1f8h s VAL 95 Cb 0.07 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.56 1f8h s VAL 95 CO 0.10 -0.19 1.12 -2.16 0.00 0.00 0.00 175.10 173.97 1f8h s PRO 96 N 1.28 1.39 1.11 2.72 0.04 -1.26 -5.04 135.00 135.24 1f8h s PRO 96 Ca -0.03 0.40 -0.17 0.00 0.04 0.00 0.00 61.00 61.24 1f8h s PRO 96 Cb -0.19 -1.86 0.24 0.00 0.04 0.00 0.00 34.50 32.73 1f8h s PRO 96 CO -0.07 -2.05 1.12 -1.25 0.04 0.00 0.00 177.00 174.79 1f8h s PRO 97 N -5.23 -0.48 0.00 0.56 0.04 -1.26 -3.72 135.00 124.90 1f8h s PRO 97 Ca 0.63 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1f8h s PRO 97 Cb -0.15 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1f8h s PRO 97 CO 0.54 -3.25 0.00 0.45 0.04 0.00 0.00 177.00 174.78 1f8h n SER 98 N -4.46 0.00 -0.43 6.66 2.88 -1.26 -4.59 113.62 112.42 1f8h n SER 98 Ca 0.11 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.78 1f8h n SER 98 Cb 0.59 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.60 1f8h n SER 98 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1f8h n LYS 99 N 0.00 1.59 0.00 -1.46 4.76 -1.24 -5.24 118.16 116.57 1f8h n LYS 99 Ca 0.00 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.57 1f8h n LYS 99 Cb 0.00 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57