#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 2.39 -0.21 0.54 -0.00 -1.24 -4.69 117.44 114.23 1f8h n TRP 7 Ca 0.00 -0.09 0.29 0.00 -0.00 0.00 0.00 57.50 57.70 1f8h n TRP 7 Cb 0.00 -2.70 0.52 0.00 -0.00 0.00 0.00 31.31 29.14 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 9.31 2.93 -2.72 5.87 0.00 0.34 -3.37 119.26 131.61 1f8h h ALA 8 Ca -0.48 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 1f8h h ALA 8 Cb 1.26 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1f8h h ALA 8 CO 0.94 -1.65 -0.34 0.08 0.00 0.00 0.00 179.25 178.28 1f8h s VAL 9 N -4.51 5.22 0.47 0.00 1.01 -1.26 -4.99 120.40 116.32 1f8h s VAL 9 Ca -0.03 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1f8h s VAL 9 Cb 0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1f8h s VAL 9 CO 0.52 0.22 0.65 -0.54 0.00 0.00 0.00 175.10 175.95 1f8h s LYS 10 N -2.16 2.76 0.26 2.72 -0.14 -1.26 -4.92 119.74 117.00 1f8h s LYS 10 Ca 0.34 -1.00 0.04 0.00 -1.36 0.00 0.00 55.97 54.00 1f8h s LYS 10 Cb -0.13 -2.65 0.35 0.00 -1.68 0.00 0.00 37.83 33.72 1f8h s LYS 10 CO 0.20 -0.42 1.64 -1.00 -0.76 0.00 0.00 175.35 175.02 1f8h h PRO 11 N 0.42 0.30 0.00 -1.68 0.13 -1.97 0.95 132.00 130.15 1f8h h PRO 11 Ca -0.42 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.38 1f8h h PRO 11 Cb 1.28 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1f8h h PRO 11 CO 0.49 0.71 -0.95 1.05 -0.23 0.00 0.00 178.00 179.07 1f8h h GLU 12 N 0.24 0.00 0.01 0.86 4.11 -1.99 -1.99 114.58 115.82 1f8h h GLU 12 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.23 1f8h h GLU 12 Cb 0.92 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1f8h h GLU 12 CO 0.08 0.64 -1.01 -0.44 0.07 0.00 0.00 179.01 178.34 1f8h h ASP 13 N 0.00 0.04 1.54 3.06 3.32 -1.90 -3.14 116.42 119.34 1f8h h ASP 13 Ca -0.06 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1f8h h ASP 13 Cb 1.62 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1f8h h ASP 13 CO 0.09 1.02 -0.47 0.50 -1.72 0.00 0.00 179.24 178.65 1f8h h LYS 14 N 0.01 0.00 -0.51 3.56 3.11 -0.85 -3.02 116.57 118.86 1f8h h LYS 14 Ca -0.02 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.70 1f8h h LYS 14 Cb 1.76 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.98 1f8h h LYS 14 CO 0.13 0.27 -0.14 0.00 -2.81 0.00 0.00 179.45 176.90 1f8h h ALA 15 N 1.70 0.77 0.00 5.00 0.00 -1.31 -1.27 119.26 124.15 1f8h h ALA 15 Ca -0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1f8h h ALA 15 Cb 1.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1f8h h ALA 15 CO 0.04 0.67 -0.58 1.57 0.00 0.00 0.00 179.25 180.94 1f8h h LYS 16 N 0.88 0.00 -0.42 0.00 2.10 -1.58 -2.83 116.57 114.71 1f8h h LYS 16 Ca 0.13 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.71 1f8h h LYS 16 Cb 0.71 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.02 1f8h h LYS 16 CO 0.05 0.58 -0.03 1.88 -2.00 0.00 0.00 179.45 179.93 1f8h h TYR 17 N 0.00 0.74 0.00 0.07 0.05 -1.27 -1.52 116.97 115.04 1f8h h TYR 17 Ca -0.01 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1f8h h TYR 17 Cb 1.14 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.68 1f8h h TYR 17 CO 0.00 0.71 -0.11 -0.44 -1.05 0.00 0.00 178.16 177.27 1f8h h ASP 18 N 0.65 0.00 0.35 3.88 3.32 -1.00 0.48 116.42 124.10 1f8h h ASP 18 Ca 0.13 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.85 1f8h h ASP 18 Cb 0.45 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.02 1f8h h ASP 18 CO 0.02 0.11 -1.50 0.00 -1.72 0.00 0.00 179.24 176.15 1f8h h ALA 19 N 1.89 0.01 0.00 3.45 0.00 -1.24 -0.95 119.26 122.42 1f8h h ALA 19 Ca -0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 54.91 53.79 1f8h h ALA 19 Cb 0.53 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1f8h h ALA 19 CO 0.01 0.88 -0.79 0.82 0.00 0.00 0.00 179.25 180.17 1f8h h ILE 20 N 0.12 1.55 -0.21 0.00 2.04 -1.02 0.02 117.51 120.01 1f8h h ILE 20 Ca -0.25 -2.72 -0.20 0.00 1.00 0.00 0.00 64.86 62.69 1f8h h ILE 20 Cb 2.10 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 40.66 1f8h h ILE 20 CO 0.23 0.77 -0.67 0.15 0.00 0.00 0.00 178.15 178.63 1f8h h PHE 21 N 0.00 1.03 -0.06 1.37 3.04 -0.07 -2.83 116.94 119.42 1f8h h PHE 21 Ca -0.01 -0.41 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1f8h h PHE 21 Cb 1.41 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1f8h h PHE 21 CO 0.00 1.24 0.00 -3.47 -2.02 0.00 0.00 178.31 174.06 1f8h n ASP 22 N -3.96 1.15 -0.22 0.41 2.03 -0.36 -3.37 116.55 112.23 1f8h n ASP 22 Ca -0.06 -1.49 0.12 0.00 0.52 0.00 0.00 54.79 53.88 1f8h n ASP 22 Cb 0.69 -0.04 0.29 0.00 -0.72 0.00 0.00 41.12 41.34 1f8h n ASP 22 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1f8h n SER 23 N -0.06 1.04 -0.14 1.67 7.64 -0.02 -3.68 113.62 120.08 1f8h n SER 23 Ca 0.18 -0.85 0.07 0.00 1.01 0.00 0.00 58.87 59.28 1f8h n SER 23 Cb 0.27 0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 1f8h n SER 23 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f8h n LEU 24 N -0.77 1.02 -1.37 -3.43 4.77 -1.22 -5.03 117.00 110.97 1f8h n LEU 24 Ca 0.10 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1f8h n LEU 24 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1f8h n LEU 24 CO 0.29 0.22 0.00 -1.20 -1.33 0.00 0.00 177.39 175.36 1f8h n SER 25 N -0.83 -1.83 -4.80 -1.43 7.64 -1.24 -5.01 113.62 106.12 1f8h n SER 25 Ca 0.04 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.58 1f8h n SER 25 Cb 0.25 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 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 -0.54 3.73 -0.20 1.43 0.04 -1.26 -4.91 135.00 133.30 1f8h s PRO 26 Ca 0.00 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 1f8h s PRO 26 Cb 0.00 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1f8h s PRO 26 CO 0.00 -0.49 -0.14 0.08 0.04 0.00 0.00 177.00 176.49 1f8h s VAL 27 N -2.01 2.48 -1.54 -0.36 1.01 -0.18 -4.54 120.40 115.27 1f8h s VAL 27 Ca 0.67 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1f8h s VAL 27 Cb -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1f8h s VAL 27 CO 0.22 0.46 0.00 0.59 0.00 0.00 0.00 175.10 176.36 1f8h n ASN 28 N 4.66 -4.44 -0.09 3.32 3.02 -1.26 -0.31 115.26 120.16 1f8h n ASN 28 Ca -0.20 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1f8h n ASN 28 Cb 0.50 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f8h n GLY 29 N -0.17 1.07 2.89 7.41 0.00 -1.26 -5.03 105.19 110.10 1f8h n GLY 29 Ca -0.15 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.18 0.28 -0.09 1.61 0.08 0.57 -2.78 117.98 115.47 1f8h s PHE 30 Ca 0.00 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1f8h s PHE 30 Cb 0.00 -0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.18 1f8h s PHE 30 CO 0.00 -0.04 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.54 1f8h s LEU 31 N 0.22 3.38 0.21 -0.37 1.43 0.10 -1.01 118.68 122.65 1f8h s LEU 31 Ca -0.02 0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 1f8h s LEU 31 Cb -0.05 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 1f8h s LEU 31 CO -0.01 0.34 0.71 -0.94 0.23 0.00 0.00 176.35 176.68 1f8h s SER 32 N -0.64 7.05 0.61 2.29 1.04 -1.26 0.26 113.70 123.05 1f8h s SER 32 Ca 0.10 1.40 0.27 0.00 0.48 0.00 0.00 55.95 58.20 1f8h s SER 32 Cb -0.12 -2.41 1.15 0.00 0.10 0.00 0.00 66.02 64.74 1f8h s SER 32 CO 0.02 0.04 1.56 1.23 0.98 0.00 0.00 173.24 177.07 1f8h h GLY 33 N 3.46 0.00 2.00 7.32 0.00 -1.21 2.45 103.07 117.10 1f8h h GLY 33 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1f8h h GLY 33 CO 0.65 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.64 1f8h h ASP 34 N 0.00 0.00 0.09 0.19 3.32 -1.90 0.95 116.42 119.07 1f8h h ASP 34 Ca 0.34 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.02 1f8h h ASP 34 Cb 2.08 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.57 1f8h h ASP 34 CO -0.00 0.00 -2.27 0.29 -1.72 0.00 0.00 179.24 175.54 1f8h n LYS 35 N -2.95 0.68 0.05 3.56 5.02 0.82 -4.33 118.16 121.00 1f8h n LYS 35 Ca 0.01 0.13 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 1f8h n LYS 35 Cb 0.31 -1.59 -0.12 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 0.01 1.38 -0.92 -0.18 2.07 -1.18 -3.11 116.25 114.32 1f8h h VAL 36 Ca -0.50 -2.31 0.15 0.00 0.82 0.00 0.00 66.70 64.85 1f8h h VAL 36 Cb 2.06 2.73 -0.15 0.00 -1.52 0.00 0.00 31.29 34.41 1f8h h VAL 36 CO 0.00 0.68 -0.37 0.50 0.02 0.00 0.00 177.57 178.40 1f8h h LYS 37 N 0.02 -0.03 -0.05 1.57 3.64 0.74 0.99 116.57 123.45 1f8h h LYS 37 Ca -0.13 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1f8h h LYS 37 Cb 1.62 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1f8h h LYS 37 CO 0.17 -0.02 -0.40 -1.00 -2.27 0.00 0.00 179.45 175.93 1f8h h PRO 38 N -0.03 0.10 -0.45 1.90 0.13 -1.75 -0.15 132.00 131.74 1f8h h PRO 38 Ca 0.33 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.32 1f8h h PRO 38 Cb 0.59 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1f8h h PRO 38 CO -0.93 0.49 -0.10 0.28 -0.23 0.00 0.00 178.00 177.51 1f8h h VAL 39 N 0.08 1.26 0.00 1.56 2.07 0.84 -2.63 116.25 119.43 1f8h h VAL 39 Ca 0.01 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 1f8h h VAL 39 Cb 0.75 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1f8h h VAL 39 CO 0.06 0.40 -0.74 -0.07 0.02 0.00 0.00 177.57 177.24 1f8h h LEU 40 N 0.73 0.00 -0.09 2.57 3.38 0.04 -3.11 115.31 118.83 1f8h h LEU 40 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1f8h h LEU 40 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1f8h h LEU 40 CO 0.04 0.48 0.00 0.18 0.09 0.00 0.00 178.44 179.23 1f8h n LEU 41 N -3.11 0.13 -0.14 1.67 4.77 -0.10 -2.10 117.00 118.13 1f8h n LEU 41 Ca -0.01 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1f8h n LEU 41 Cb 0.75 -0.50 0.34 0.00 -2.33 0.00 0.00 43.42 41.67 1f8h n LEU 41 CO 0.41 -0.22 0.58 0.59 -1.33 0.00 0.00 177.39 177.42 1f8h n ASN 42 N -1.64 0.77 0.00 -1.43 3.02 -1.02 -3.81 115.26 111.16 1f8h n ASN 42 Ca 0.04 -0.60 0.03 0.00 -0.03 0.00 0.00 54.58 54.03 1f8h n ASN 42 Cb 0.24 0.17 0.19 0.00 -0.61 0.00 0.00 39.78 39.76 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f8h n SER 43 N -1.02 0.00 -0.09 6.41 7.64 -0.89 -4.81 113.62 120.86 1f8h n SER 43 Ca 0.09 -1.61 -0.01 0.00 1.01 0.00 0.00 58.87 58.35 1f8h n SER 43 Cb 0.34 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.61 -1.38 -3.84 1.43 4.81 -1.25 -4.82 118.16 112.50 1f8h n LYS 44 Ca 0.05 0.40 -0.25 0.00 -0.87 0.00 0.00 58.31 57.65 1f8h n LYS 44 Cb 0.02 -4.47 -0.03 0.00 0.02 0.00 0.00 35.03 30.58 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 -0.26 4.28 0.93 3.14 1.43 -1.26 -5.10 118.68 121.84 1f8h s LEU 45 Ca 0.00 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1f8h s LEU 45 Cb 0.00 -2.99 0.15 0.00 0.03 0.00 0.00 46.19 43.38 1f8h s LEU 45 CO 0.00 -0.04 1.17 -2.16 0.23 0.00 0.00 176.35 175.55 1f8h s PRO 46 N -3.58 0.94 0.00 1.29 0.04 -1.26 -4.81 135.00 127.61 1f8h s PRO 46 Ca 0.36 0.11 0.18 0.00 0.04 0.00 0.00 61.00 61.69 1f8h s PRO 46 Cb -0.10 -1.83 0.92 0.00 0.04 0.00 0.00 34.50 33.53 1f8h s PRO 46 CO 0.29 -2.30 1.53 0.28 0.04 0.00 0.00 177.00 176.84 1f8h n VAL 47 N -3.80 0.42 0.12 -0.36 0.31 -1.26 -2.16 118.33 111.59 1f8h n VAL 47 Ca 0.09 0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.51 1f8h n VAL 47 Cb 0.60 -0.81 0.09 0.00 -0.91 0.00 0.00 33.84 32.81 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 0.27 4.52 3.32 -1.96 1.42 116.42 123.99 1f8h h ASP 48 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1f8h h ASP 48 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1f8h h ASP 48 CO 0.00 0.69 -1.78 0.40 -1.72 0.00 0.00 179.24 176.83 1f8h h ILE 49 N 0.00 0.87 0.00 0.35 1.08 -1.79 -3.00 117.51 115.02 1f8h h ILE 49 Ca -0.01 -2.55 -0.17 0.00 -0.39 0.00 0.00 64.86 61.75 1f8h h ILE 49 Cb 1.30 2.63 -0.02 0.00 -3.07 0.00 0.00 36.82 37.66 1f8h h ILE 49 CO 0.09 0.82 -0.80 -0.07 -0.69 0.00 0.00 178.15 177.50 1f8h h LEU 50 N 0.07 0.00 -0.98 1.44 3.38 -1.51 2.33 115.31 120.04 1f8h h LEU 50 Ca -0.34 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1f8h h LEU 50 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1f8h h LEU 50 CO 0.13 0.80 -0.30 1.23 0.09 0.00 0.00 178.44 180.39 1f8h h GLY 51 N 3.07 0.00 0.00 0.83 0.00 0.18 -0.70 103.07 106.46 1f8h h GLY 51 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 1f8h h GLY 51 CO 0.10 0.00 -2.28 -2.13 0.00 0.00 0.00 176.54 172.23 1f8h n ARG 52 N -3.45 0.85 -0.02 4.80 0.63 -1.11 -3.90 116.66 114.46 1f8h n ARG 52 Ca 0.00 0.05 -0.11 0.00 -0.92 0.00 0.00 57.85 56.87 1f8h n ARG 52 Cb 0.48 -1.47 0.04 0.00 0.45 0.00 0.00 32.46 31.96 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 1.30 0.04 5.15 2.07 0.39 -2.70 116.25 122.51 1f8h h VAL 53 Ca -0.51 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 1f8h h VAL 53 Cb 2.01 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1f8h h VAL 53 CO -0.01 0.55 -0.02 -0.25 0.02 0.00 0.00 177.57 177.85 1f8h h TRP 54 N 0.51 -0.05 -0.21 1.57 2.91 -1.30 -1.17 115.95 118.21 1f8h h TRP 54 Ca 0.02 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.09 1f8h h TRP 54 Cb 1.07 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 29.67 1f8h h TRP 54 CO 0.05 0.14 -0.33 0.93 -1.03 0.00 0.00 178.44 178.20 1f8h h GLU 55 N -0.24 -0.35 0.00 2.65 5.08 -1.66 2.99 114.58 123.05 1f8h h GLU 55 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1f8h h GLU 55 Cb 0.22 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1f8h h GLU 55 CO 0.01 -0.23 0.00 -0.07 -1.00 0.00 0.00 179.01 177.72 1f8h h LEU 56 N -0.36 0.00 0.06 1.33 3.38 -1.40 -2.03 115.31 116.28 1f8h h LEU 56 Ca 0.11 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.71 1f8h h LEU 56 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1f8h h LEU 56 CO -0.41 0.00 -2.16 -0.24 0.09 0.00 0.00 178.44 175.72 1f8h n SER 57 N -2.34 2.04 -4.55 -0.43 2.88 0.38 -4.75 113.62 106.84 1f8h n SER 57 Ca -0.01 0.11 -0.38 0.00 -1.33 0.00 0.00 58.87 57.26 1f8h n SER 57 Cb 0.07 -0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 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 -6.87 5.88 0.08 -3.46 2.15 0.91 -4.75 116.67 110.61 1f8h s ASP 58 Ca -0.29 -0.64 0.23 0.00 0.43 0.00 0.00 52.55 52.29 1f8h s ASP 58 Cb 0.08 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.18 1f8h s ASP 58 CO 0.67 -2.03 1.01 -0.38 -0.17 0.00 0.00 175.17 174.28 1f8h n ILE 59 N 7.00 0.27 1.25 4.11 5.41 -1.26 -3.74 119.36 132.39 1f8h n ILE 59 Ca 0.23 -0.33 0.13 0.00 1.00 0.00 0.00 62.75 63.78 1f8h n ILE 59 Cb 0.50 0.04 0.39 0.00 -0.71 0.00 0.00 39.64 39.86 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 -2.15 0.98 -4.32 4.38 8.00 -1.26 -4.94 116.55 117.23 1f8h n ASP 60 Ca 0.01 -0.86 -0.33 0.00 0.71 0.00 0.00 54.79 54.32 1f8h n ASP 60 Cb 0.47 0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.61 1f8h n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f8h n HIS 61 N -0.68 -1.31 -1.82 1.24 1.44 -1.25 -4.80 115.22 108.04 1f8h n HIS 61 Ca 0.12 0.65 0.05 0.00 -2.01 0.00 0.00 57.72 56.54 1f8h n HIS 61 Cb 0.34 -2.72 0.11 0.00 0.12 0.00 0.00 29.99 27.84 1f8h n HIS 61 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1f8h n ASP 62 N -2.80 1.35 -3.59 4.39 5.68 -1.26 -4.96 116.55 115.36 1f8h n ASP 62 Ca -0.21 -2.88 -0.23 0.00 -0.50 0.00 0.00 54.79 50.96 1f8h n ASP 62 Cb 0.63 -0.39 0.08 0.00 -1.14 0.00 0.00 41.12 40.30 1f8h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f8h n GLY 63 N -0.53 -0.50 3.28 6.12 0.00 -1.26 -4.91 105.19 107.38 1f8h n GLY 63 Ca 0.12 0.22 -0.09 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 0.99 -0.21 1.61 -1.94 -1.26 -0.66 119.30 111.68 1f8h s MET 64 Ca 0.47 -0.93 -0.04 0.00 -1.71 0.00 0.00 55.69 53.49 1f8h s MET 64 Cb -0.21 0.39 0.07 0.00 2.01 0.00 0.00 34.83 37.09 1f8h s MET 64 CO 0.74 -0.35 0.08 -0.51 -0.01 0.00 0.00 175.02 174.97 1f8h s LEU 65 N -2.87 0.80 0.70 -0.03 1.43 0.73 -4.72 118.68 114.73 1f8h s LEU 65 Ca 0.07 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1f8h s LEU 65 Cb 0.03 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.84 1f8h s LEU 65 CO -0.09 -0.36 1.07 1.51 0.23 0.00 0.00 176.35 178.71 1f8h s ASP 66 N 2.00 5.36 0.22 2.29 1.47 -1.26 0.01 116.67 126.77 1f8h s ASP 66 Ca 0.03 1.45 0.01 0.00 1.18 0.00 0.00 52.55 55.22 1f8h s ASP 66 Cb -0.16 -2.32 0.54 0.00 -0.34 0.00 0.00 42.92 40.63 1f8h s ASP 66 CO -0.16 -1.43 1.14 -2.11 0.68 0.00 0.00 175.17 173.29 1f8h n ARG 67 N -3.11 -0.06 0.09 2.11 1.85 -1.12 0.13 116.66 116.56 1f8h n ARG 67 Ca 0.07 1.09 -0.19 0.00 -1.00 0.00 0.00 57.85 57.83 1f8h n ARG 67 Cb 0.55 -1.73 -0.11 0.00 -1.05 0.00 0.00 32.46 30.11 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 0.68 -0.32 2.89 3.58 -1.90 -3.11 116.42 118.25 1f8h h ASP 68 Ca 0.43 -0.64 -0.06 0.00 0.42 0.00 0.00 57.03 57.18 1f8h h ASP 68 Cb 0.87 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1f8h h ASP 68 CO -0.69 1.46 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.01 1f8h h GLU 69 N 0.21 0.59 0.00 0.28 4.81 0.75 -2.29 114.58 118.93 1f8h h GLU 69 Ca -0.15 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1f8h h GLU 69 Cb 1.86 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.20 1f8h h GLU 69 CO 0.21 0.75 -0.00 0.35 -0.73 0.00 0.00 179.01 179.59 1f8h h PHE 70 N 0.37 0.00 -0.04 0.92 3.57 0.59 -1.24 116.94 121.11 1f8h h PHE 70 Ca 0.08 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.35 1f8h h PHE 70 Cb 0.51 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.26 1f8h h PHE 70 CO 0.04 0.00 -0.92 0.00 -2.23 0.00 0.00 178.31 175.20 1f8h h ALA 71 N 2.00 0.30 0.00 2.41 0.00 -1.34 -2.71 119.26 119.92 1f8h h ALA 71 Ca -0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1f8h h ALA 71 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1f8h h ALA 71 CO 0.00 0.74 -0.22 0.28 0.00 0.00 0.00 179.25 180.05 1f8h h VAL 72 N 0.36 0.82 -0.00 0.00 2.07 -1.08 -2.05 116.25 116.36 1f8h h VAL 72 Ca -0.09 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1f8h h VAL 72 Cb 1.56 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1f8h h VAL 72 CO 0.17 0.21 -0.37 0.00 0.02 0.00 0.00 177.57 177.60 1f8h n ALA 73 N -2.35 3.31 -0.06 1.67 0.00 -1.11 -3.17 120.51 118.80 1f8h n ALA 73 Ca -0.02 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.83 1f8h n ALA 73 Cb 0.32 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 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 0.68 0.08 0.00 0.00 2.86 -1.04 -3.13 114.93 114.39 1f8h h MET 74 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1f8h h MET 74 Cb 0.51 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1f8h h MET 74 CO 0.00 1.07 0.00 0.27 1.06 0.00 0.00 176.91 179.31 1f8h h PHE 75 N -0.72 0.00 0.00 -0.22 -0.00 -1.69 0.67 116.94 114.97 1f8h h PHE 75 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.58 1f8h h PHE 75 Cb 1.46 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.40 1f8h h PHE 75 CO 0.12 0.00 -0.37 -0.07 -0.00 0.00 0.00 178.31 177.99 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.67 -2.68 115.31 116.44 1f8h h LEU 76 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f8h h LEU 76 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1f8h h LEU 76 CO 0.00 0.37 -0.50 0.52 0.09 0.00 0.00 178.44 178.92 1f8h n VAL 77 N -3.40 1.35 -0.02 1.22 0.31 -0.92 -3.92 118.33 112.95 1f8h n VAL 77 Ca 0.01 0.23 0.22 0.00 -0.01 0.00 0.00 64.34 64.79 1f8h n VAL 77 Cb 0.55 -2.35 0.54 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.95 0.00 0.00 3.52 0.05 -0.99 1.60 116.97 120.20 1f8h h TYR 78 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1f8h h TYR 78 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1f8h h TYR 78 CO -0.22 0.00 -0.26 0.00 -1.05 0.00 0.00 178.16 176.63 1f8h n ALA 80 N -2.05 2.98 0.00 0.00 0.00 0.55 0.11 120.51 122.10 1f8h n ALA 80 Ca 0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1f8h n ALA 80 Cb 0.51 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.75 2.64 0.11 0.00 4.32 -1.11 -4.37 117.00 116.83 1f8h n LEU 81 Ca 0.05 0.20 -0.12 0.00 -0.02 0.00 0.00 56.01 56.13 1f8h n LEU 81 Cb 0.38 -1.12 -0.08 0.00 -1.62 0.00 0.00 43.42 40.98 1f8h n LEU 81 CO 0.33 0.85 0.48 -0.33 -1.22 0.00 0.00 177.39 177.50 1f8h h GLU 82 N 0.06 -0.30 0.00 3.23 4.39 -1.64 -3.47 114.58 116.84 1f8h h GLU 82 Ca -0.43 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1f8h h GLU 82 Cb 2.02 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1f8h h GLU 82 CO 0.08 0.06 0.00 1.17 -1.16 0.00 0.00 179.01 179.17 1f8h n LYS 83 N -5.03 0.00 -2.81 2.33 4.81 -1.10 -5.11 118.16 111.24 1f8h n LYS 83 Ca -0.09 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.93 1f8h n LYS 83 Cb 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.28 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 4.01 0.00 1.64 0.41 0.30 -4.92 118.70 120.14 1f8h s GLU 84 Ca 0.00 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 1f8h s GLU 84 Cb 0.00 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 1f8h s GLU 84 CO 0.00 -0.77 0.00 -0.35 -0.49 0.00 0.00 175.26 173.65 1f8h n PRO 85 N 6.48 -0.73 -3.93 0.39 -0.04 -1.26 -1.56 135.00 134.36 1f8h n PRO 85 Ca 0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1f8h n PRO 85 Cb 0.48 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.85 0.46 0.79 0.52 1.01 -1.26 -4.70 120.40 116.37 1f8h s VAL 86 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1f8h s VAL 86 Cb 0.00 -0.56 0.12 0.00 0.00 0.00 0.00 36.38 35.94 1f8h s VAL 86 CO 0.00 0.25 1.11 -2.16 0.00 0.00 0.00 175.10 174.30 1f8h s PRO 87 N 1.51 1.58 -0.04 2.72 0.04 -1.26 -4.92 135.00 134.63 1f8h s PRO 87 Ca -0.02 -0.49 0.17 0.00 0.04 0.00 0.00 61.00 60.70 1f8h s PRO 87 Cb -0.13 -2.10 0.56 0.00 0.04 0.00 0.00 34.50 32.87 1f8h s PRO 87 CO -0.03 -1.67 1.46 -1.33 0.04 0.00 0.00 177.00 175.47 1f8h n MET 88 N -3.18 2.79 -3.67 4.56 2.81 -1.26 -4.79 117.12 114.38 1f8h n MET 88 Ca 0.12 -2.26 -0.39 0.00 -1.81 0.00 0.00 57.70 53.36 1f8h n MET 88 Cb 0.60 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.92 5.47 -0.29 7.83 0.01 -1.26 -4.85 113.70 119.70 1f8h s SER 89 Ca 0.41 -1.72 -0.28 0.00 1.31 0.00 0.00 55.95 55.67 1f8h s SER 89 Cb 0.24 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1f8h s SER 89 CO 0.24 -0.55 2.05 -0.22 0.41 0.00 0.00 173.24 175.18 1f8h s LEU 90 N 1.31 3.46 0.49 2.44 2.96 -1.26 -4.90 118.68 123.18 1f8h s LEU 90 Ca 0.04 1.58 -0.23 0.00 -0.22 0.00 0.00 54.13 55.30 1f8h s LEU 90 Cb -0.23 -3.44 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1f8h s LEU 90 CO -0.01 -1.92 1.31 -2.16 -1.32 0.00 0.00 176.35 172.26 1f8h s PRO 91 N 6.19 3.50 0.00 0.98 0.04 -1.26 -4.89 135.00 139.57 1f8h s PRO 91 Ca 0.91 2.14 0.17 0.00 0.04 0.00 0.00 61.00 64.26 1f8h s PRO 91 Cb -0.27 -2.43 0.89 0.00 0.04 0.00 0.00 34.50 32.73 1f8h s PRO 91 CO 0.34 -0.87 1.48 -0.35 0.04 0.00 0.00 177.00 177.64 1f8h n PRO 92 N -0.59 0.31 0.03 0.56 -0.04 -1.26 -1.87 135.00 132.14 1f8h n PRO 92 Ca 0.08 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1f8h n PRO 92 Cb 0.45 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.22 3.27 0.47 0.55 0.00 -1.26 -3.86 120.51 118.46 1f8h n ALA 93 Ca 0.09 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.24 1f8h n ALA 93 Cb 0.12 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.06 0.51 -4.76 0.00 -0.00 -0.78 0.26 117.00 110.17 1f8h n LEU 94 Ca 0.01 -0.16 -0.39 0.00 -0.00 0.00 0.00 56.01 55.47 1f8h n LEU 94 Cb 0.46 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.79 1f8h n LEU 94 CO 0.41 0.09 0.66 -0.69 -0.00 0.00 0.00 177.39 177.86 1f8h s VAL 95 N -3.26 4.06 1.02 1.96 1.01 -1.12 -4.65 120.40 119.41 1f8h s VAL 95 Ca 0.00 1.95 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 1f8h s VAL 95 Cb 0.15 -4.20 0.20 0.00 0.00 0.00 0.00 36.38 32.53 1f8h s VAL 95 CO 0.87 0.38 1.12 -2.16 0.00 0.00 0.00 175.10 175.30 1f8h s PRO 96 N -1.48 0.25 0.00 2.72 0.04 -1.26 -4.90 135.00 130.37 1f8h s PRO 96 Ca 0.44 0.27 0.21 0.00 0.04 0.00 0.00 61.00 61.97 1f8h s PRO 96 Cb -0.24 -1.74 1.25 0.00 0.04 0.00 0.00 34.50 33.81 1f8h s PRO 96 CO 0.30 -2.80 1.64 -0.35 0.04 0.00 0.00 177.00 175.84 1f8h n PRO 97 N -4.18 0.68 -0.02 0.56 -0.04 -1.26 -2.78 135.00 127.96 1f8h n PRO 97 Ca 0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1f8h n PRO 97 Cb 0.58 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 1f8h n PRO 97 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f8h n SER 98 N -0.98 0.80 -0.58 3.54 3.41 -1.26 -3.76 113.62 114.79 1f8h n SER 98 Ca 0.16 0.38 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1f8h n SER 98 Cb 0.07 0.06 0.30 0.00 -0.26 0.00 0.00 64.21 64.38 1f8h n SER 98 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1f8h n LYS 99 N -2.99 1.75 0.00 4.33 4.81 -1.12 -5.26 118.16 119.67 1f8h n LYS 99 Ca -0.17 -1.14 0.14 0.00 -0.87 0.00 0.00 58.31 56.27 1f8h n LYS 99 Cb 1.02 -1.35 0.59 0.00 0.02 0.00 0.00 35.03 35.31 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11