#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 3.38 0.57 0.54 -0.00 -1.26 -4.75 118.94 117.41 1f8h s TRP 7 Ca 0.00 0.98 0.41 0.00 -0.00 0.00 0.00 56.10 57.50 1f8h s TRP 7 Cb 0.00 -2.84 1.53 0.00 -0.00 0.00 0.00 33.47 32.16 1f8h s TRP 7 CO 0.00 -0.19 1.61 0.00 -0.00 0.00 0.00 176.95 178.36 1f8h h ALA 8 N 7.47 3.42 -2.85 5.86 0.00 0.10 -3.37 119.26 129.89 1f8h h ALA 8 Ca -0.31 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 1f8h h ALA 8 Cb 1.14 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1f8h h ALA 8 CO 0.79 -1.96 -0.52 0.08 0.00 0.00 0.00 179.25 177.64 1f8h s VAL 9 N -4.79 5.20 0.51 0.00 1.01 -1.26 -5.09 120.40 115.98 1f8h s VAL 9 Ca -0.05 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1f8h s VAL 9 Cb 0.23 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.45 1f8h s VAL 9 CO 0.77 0.60 0.70 0.29 0.00 0.00 0.00 175.10 177.47 1f8h n LYS 10 N 2.14 0.29 0.09 2.72 5.02 -1.26 -4.89 118.16 122.26 1f8h n LYS 10 Ca -0.19 -2.15 -0.05 0.00 -2.02 0.00 0.00 58.31 53.90 1f8h n LYS 10 Cb 0.54 -0.39 0.13 0.00 -0.02 0.00 0.00 35.03 35.30 1f8h n LYS 10 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1f8h h PRO 11 N 0.00 0.23 0.02 1.97 0.13 -1.97 -0.79 132.00 131.59 1f8h h PRO 11 Ca -0.23 -0.15 -0.20 0.00 -0.87 0.00 0.00 66.00 64.54 1f8h h PRO 11 Cb 0.93 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1f8h h PRO 11 CO 0.28 0.75 -0.93 0.93 -0.23 0.00 0.00 178.00 178.80 1f8h h GLU 12 N 0.17 0.12 0.05 0.86 4.39 -1.98 0.38 114.58 118.58 1f8h h GLU 12 Ca -0.00 -0.15 -0.24 0.00 0.34 0.00 0.00 59.36 59.31 1f8h h GLU 12 Cb 1.08 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1f8h h GLU 12 CO 0.09 0.96 -1.05 -0.44 -1.16 0.00 0.00 179.01 177.41 1f8h h ASP 13 N 0.06 0.47 1.64 1.42 3.32 -1.91 -3.04 116.42 118.37 1f8h h ASP 13 Ca -0.04 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1f8h h ASP 13 Cb 1.60 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1f8h h ASP 13 CO 0.13 1.25 -0.20 0.50 -1.72 0.00 0.00 179.24 179.20 1f8h h LYS 14 N 0.16 0.00 -0.36 3.56 3.64 -1.15 -2.99 116.57 119.43 1f8h h LYS 14 Ca -0.10 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1f8h h LYS 14 Cb 1.72 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1f8h h LYS 14 CO 0.18 0.00 -0.41 0.00 -2.27 0.00 0.00 179.45 176.94 1f8h h ALA 15 N 2.15 0.54 -0.03 5.00 0.00 -0.83 -0.29 119.26 125.80 1f8h h ALA 15 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1f8h h ALA 15 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1f8h h ALA 15 CO 0.00 0.67 -0.70 1.57 0.00 0.00 0.00 179.25 180.79 1f8h h LYS 16 N 0.74 0.16 -0.40 0.00 2.10 -1.56 -2.89 116.57 114.72 1f8h h LYS 16 Ca 0.05 -0.13 -0.09 0.00 -2.00 0.00 0.00 60.65 58.48 1f8h h LYS 16 Cb 1.01 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 1f8h h LYS 16 CO 0.10 0.79 -0.11 1.88 -2.00 0.00 0.00 179.45 180.12 1f8h h TYR 17 N 0.11 0.78 0.00 0.07 0.05 -1.34 -1.93 116.97 114.71 1f8h h TYR 17 Ca -0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1f8h h TYR 17 Cb 1.24 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1f8h h TYR 17 CO 0.02 0.79 -0.05 -0.44 -1.05 0.00 0.00 178.16 177.43 1f8h h ASP 18 N 0.65 0.00 0.32 3.88 3.32 -0.85 0.34 116.42 124.08 1f8h h ASP 18 Ca 0.11 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.83 1f8h h ASP 18 Cb 0.56 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.13 1f8h h ASP 18 CO 0.03 0.05 -1.53 0.00 -1.72 0.00 0.00 179.24 176.07 1f8h h ALA 19 N 1.95 0.01 0.00 3.45 0.00 -1.20 -1.01 119.26 122.47 1f8h h ALA 19 Ca -0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 54.91 53.79 1f8h h ALA 19 Cb 0.51 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1f8h h ALA 19 CO 0.01 0.88 -0.72 0.82 0.00 0.00 0.00 179.25 180.23 1f8h h ILE 20 N 0.12 1.43 -0.08 0.00 2.04 -1.12 -0.18 117.51 119.71 1f8h h ILE 20 Ca -0.26 -2.54 -0.20 0.00 1.00 0.00 0.00 64.86 62.86 1f8h h ILE 20 Cb 2.11 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 1f8h h ILE 20 CO 0.23 0.70 -0.79 0.15 0.00 0.00 0.00 178.15 178.44 1f8h h PHE 21 N 0.00 0.69 -0.07 1.37 3.04 -0.36 -2.95 116.94 118.66 1f8h h PHE 21 Ca -0.01 -0.32 0.00 0.00 3.98 0.00 0.00 57.97 61.62 1f8h h PHE 21 Cb 1.34 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1f8h h PHE 21 CO 0.00 1.11 0.00 -3.47 -2.02 0.00 0.00 178.31 173.93 1f8h n ASP 22 N -3.84 1.57 -0.39 0.41 2.03 -0.38 -3.51 116.55 112.43 1f8h n ASP 22 Ca -0.06 -1.57 0.13 0.00 0.52 0.00 0.00 54.79 53.81 1f8h n ASP 22 Cb 0.74 -0.04 0.33 0.00 -0.72 0.00 0.00 41.12 41.44 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 0.23 1.43 -0.27 1.67 2.88 -0.09 -3.66 113.62 115.81 1f8h n SER 23 Ca 0.18 -1.21 0.06 0.00 -1.33 0.00 0.00 58.87 56.57 1f8h n SER 23 Cb 0.35 0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.22 1.34 -1.13 2.46 4.77 -1.23 -5.04 117.00 117.96 1f8h n LEU 24 Ca 0.13 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1f8h n LEU 24 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1f8h n LEU 24 CO 0.23 0.27 0.00 -1.20 -1.33 0.00 0.00 177.39 175.36 1f8h n SER 25 N -0.20 -1.50 -4.78 -1.43 7.64 -1.24 -4.96 113.62 107.15 1f8h n SER 25 Ca 0.05 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 1f8h n SER 25 Cb 0.25 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 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 3.71 -0.30 1.43 0.04 -1.26 -4.88 135.00 133.74 1f8h s PRO 26 Ca 0.00 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1f8h s PRO 26 Cb 0.00 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.43 1f8h s PRO 26 CO 0.00 -0.54 -0.02 0.08 0.04 0.00 0.00 177.00 176.56 1f8h s VAL 27 N -1.78 2.11 -2.09 -0.36 1.01 0.24 -4.67 120.40 114.85 1f8h s VAL 27 Ca 0.67 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1f8h s VAL 27 Cb -0.22 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1f8h s VAL 27 CO 0.26 -0.33 0.00 -3.20 0.00 0.00 0.00 175.10 171.83 1f8h n ASN 28 N 4.39 -5.24 -0.10 3.32 5.15 -1.26 -1.90 115.26 119.62 1f8h n ASN 28 Ca -0.05 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1f8h n ASN 28 Cb 0.42 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 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 -0.39 1.15 3.26 8.20 0.00 -1.26 -5.07 105.19 111.07 1f8h n GLY 29 Ca -0.20 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.20 -0.23 -0.09 1.61 0.08 -0.80 -3.61 117.98 112.74 1f8h s PHE 30 Ca 0.00 0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.46 1f8h s PHE 30 Cb 0.00 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 1f8h s PHE 30 CO 0.00 -0.39 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.01 1f8h s LEU 31 N -1.20 1.96 0.42 -0.37 1.43 -0.85 -0.60 118.68 119.48 1f8h s LEU 31 Ca -0.12 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 1f8h s LEU 31 Cb -0.05 -1.24 -0.10 0.00 0.03 0.00 0.00 46.19 44.84 1f8h s LEU 31 CO 0.04 0.13 1.00 -0.94 0.23 0.00 0.00 176.35 176.82 1f8h s SER 32 N 0.39 6.78 0.60 2.29 1.04 -1.26 0.14 113.70 123.67 1f8h s SER 32 Ca -0.16 1.87 0.29 0.00 0.48 0.00 0.00 55.95 58.42 1f8h s SER 32 Cb -0.17 -2.56 1.25 0.00 0.10 0.00 0.00 66.02 64.63 1f8h s SER 32 CO 0.07 -0.47 1.63 1.23 0.98 0.00 0.00 173.24 176.67 1f8h h GLY 33 N 2.14 0.00 2.00 7.32 0.00 -1.89 2.20 103.07 114.85 1f8h h GLY 33 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1f8h h GLY 33 CO 0.61 0.00 -0.01 -1.80 0.00 0.00 0.00 176.54 175.34 1f8h h ASP 34 N 0.00 0.00 0.00 0.19 3.58 -1.88 2.13 116.42 120.44 1f8h h ASP 34 Ca 0.35 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.51 1f8h h ASP 34 Cb 2.01 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.00 1f8h h ASP 34 CO -0.00 0.01 -2.10 0.29 -2.88 0.00 0.00 179.24 174.56 1f8h n LYS 35 N -3.18 1.20 -0.01 0.28 5.02 0.73 -4.45 118.16 117.75 1f8h n LYS 35 Ca -0.02 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1f8h n LYS 35 Cb 0.15 -1.41 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.00 1.33 -0.92 -0.18 2.07 -0.85 -3.15 116.25 114.55 1f8h h VAL 36 Ca -0.43 -2.40 0.19 0.00 0.82 0.00 0.00 66.70 64.88 1f8h h VAL 36 Cb 1.91 2.94 -0.17 0.00 -1.52 0.00 0.00 31.29 34.44 1f8h h VAL 36 CO 0.00 0.63 -0.22 0.50 0.02 0.00 0.00 177.57 178.50 1f8h h LYS 37 N -0.58 0.00 -0.10 1.57 3.64 0.33 1.82 116.57 123.24 1f8h h LYS 37 Ca -0.20 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1f8h h LYS 37 Cb 1.49 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1f8h h LYS 37 CO 0.03 0.00 -0.34 -1.00 -2.27 0.00 0.00 179.45 175.87 1f8h h PRO 38 N 0.00 0.20 -0.22 1.90 0.13 -1.71 0.53 132.00 132.83 1f8h h PRO 38 Ca 0.44 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 65.38 1f8h h PRO 38 Cb 0.68 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1f8h h PRO 38 CO -0.94 0.53 -0.34 0.28 -0.23 0.00 0.00 178.00 177.30 1f8h h VAL 39 N 0.18 1.29 0.03 1.56 2.07 0.25 -2.26 116.25 119.35 1f8h h VAL 39 Ca 0.02 -1.43 -0.27 0.00 0.82 0.00 0.00 66.70 65.84 1f8h h VAL 39 Cb 0.69 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1f8h h VAL 39 CO 0.05 0.45 -1.49 -0.07 0.02 0.00 0.00 177.57 176.53 1f8h h LEU 40 N 0.39 0.09 -0.20 2.57 3.38 0.85 -3.25 115.31 119.14 1f8h h LEU 40 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1f8h h LEU 40 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1f8h h LEU 40 CO 0.06 1.12 0.00 0.18 0.09 0.00 0.00 178.44 179.89 1f8h n LEU 41 N -3.22 0.22 0.01 1.67 4.77 0.18 -1.96 117.00 118.66 1f8h n LEU 41 Ca -0.13 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1f8h n LEU 41 Cb 1.02 -0.52 0.35 0.00 -2.33 0.00 0.00 43.42 41.94 1f8h n LEU 41 CO 0.46 -0.32 0.59 -3.20 -1.33 0.00 0.00 177.39 173.59 1f8h n ASN 42 N -1.74 0.38 0.00 -1.43 2.85 -0.86 -3.65 115.26 110.81 1f8h n ASN 42 Ca 0.03 -0.02 0.03 0.00 -0.11 0.00 0.00 54.58 54.52 1f8h n ASN 42 Cb 0.21 0.03 0.19 0.00 1.24 0.00 0.00 39.78 41.45 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1f8h n SER 43 N -1.55 0.00 0.00 1.20 3.41 -0.83 -4.82 113.62 111.03 1f8h n SER 43 Ca 0.06 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1f8h n SER 43 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.60 -1.46 -3.33 4.33 3.00 -1.24 -4.88 118.16 113.97 1f8h n LYS 44 Ca 0.05 0.37 -0.26 0.00 -0.00 0.00 0.00 58.31 58.46 1f8h n LYS 44 Cb 0.02 -4.51 -0.02 0.00 0.00 0.00 0.00 35.03 30.52 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1f8h s LEU 45 N 0.00 4.02 0.87 3.14 1.43 -1.26 -5.08 118.68 121.80 1f8h s LEU 45 Ca 0.00 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 1f8h s LEU 45 Cb 0.00 -3.43 0.11 0.00 0.03 0.00 0.00 46.19 42.90 1f8h s LEU 45 CO 0.00 -0.25 1.12 -2.16 0.23 0.00 0.00 176.35 175.29 1f8h s PRO 46 N -3.94 1.49 0.00 1.29 0.04 -1.26 -4.83 135.00 127.79 1f8h s PRO 46 Ca 0.42 0.44 0.11 0.00 0.04 0.00 0.00 61.00 62.01 1f8h s PRO 46 Cb -0.10 -1.87 0.53 0.00 0.04 0.00 0.00 34.50 33.10 1f8h s PRO 46 CO 0.34 -1.99 1.30 0.28 0.04 0.00 0.00 177.00 176.96 1f8h n VAL 47 N -3.65 0.92 0.12 -0.36 0.31 -1.26 -1.64 118.33 112.77 1f8h n VAL 47 Ca 0.07 0.23 -0.03 0.00 -0.01 0.00 0.00 64.34 64.60 1f8h n VAL 47 Cb 0.58 -1.04 0.09 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.23 4.52 5.19 -1.96 1.75 116.42 126.16 1f8h h ASP 48 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1f8h h ASP 48 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1f8h h ASP 48 CO 0.00 0.72 -1.73 0.40 -3.12 0.00 0.00 179.24 175.50 1f8h h ILE 49 N 0.00 0.95 0.00 0.35 1.08 -1.66 -2.82 117.51 115.41 1f8h h ILE 49 Ca -0.01 -2.55 -0.18 0.00 -0.39 0.00 0.00 64.86 61.73 1f8h h ILE 49 Cb 1.28 2.74 -0.03 0.00 -3.07 0.00 0.00 36.82 37.74 1f8h h ILE 49 CO 0.09 0.85 -0.86 -0.07 -0.69 0.00 0.00 178.15 177.48 1f8h h LEU 50 N 0.10 0.00 -0.92 1.44 3.38 -1.50 2.18 115.31 119.99 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 2.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.82 1f8h h LEU 50 CO 0.17 0.86 -0.41 1.23 0.09 0.00 0.00 178.44 180.37 1f8h h GLY 51 N 3.05 0.00 0.00 0.83 0.00 0.26 -1.61 103.07 105.59 1f8h h GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1f8h h GLY 51 CO 0.11 0.00 -2.30 -2.13 0.00 0.00 0.00 176.54 172.22 1f8h n ARG 52 N -3.59 0.89 -0.02 4.80 0.63 -1.06 -3.86 116.66 114.45 1f8h n ARG 52 Ca -0.00 0.01 -0.10 0.00 -0.92 0.00 0.00 57.85 56.84 1f8h n ARG 52 Cb 0.52 -1.48 0.05 0.00 0.45 0.00 0.00 32.46 32.00 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 1.31 0.06 5.15 2.07 0.36 -2.49 116.25 122.71 1f8h h VAL 53 Ca -0.51 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 1f8h h VAL 53 Cb 2.12 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1f8h h VAL 53 CO 0.01 0.54 -0.03 -0.25 0.02 0.00 0.00 177.57 177.86 1f8h h TRP 54 N 0.50 -0.08 0.09 1.57 2.91 -1.47 0.61 115.95 120.08 1f8h h TRP 54 Ca 0.02 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.06 1f8h h TRP 54 Cb 1.04 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.67 1f8h h TRP 54 CO 0.05 0.11 -0.43 0.93 -1.03 0.00 0.00 178.44 178.07 1f8h h GLU 55 N -0.26 -0.62 0.00 2.65 4.39 -1.64 2.87 114.58 121.96 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 0.23 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1f8h h GLU 55 CO 0.01 -0.41 0.00 -0.07 -1.16 0.00 0.00 179.01 177.38 1f8h h LEU 56 N -0.65 0.00 0.07 1.33 3.38 -1.43 -0.49 115.31 117.53 1f8h h LEU 56 Ca 0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.70 1f8h h LEU 56 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1f8h h LEU 56 CO -0.26 0.00 -1.56 -1.28 0.09 0.00 0.00 178.44 175.43 1f8h h SER 57 N 0.00 0.24 -1.08 -0.43 0.87 0.24 -3.42 113.55 109.96 1f8h h SER 57 Ca 0.00 -0.37 -0.36 0.00 -1.23 0.00 0.00 61.79 59.83 1f8h h SER 57 Cb 0.10 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1f8h h SER 57 CO 0.00 1.32 0.93 -0.62 -0.53 0.00 0.00 176.83 177.93 1f8h s ASP 58 N -6.72 5.24 0.40 6.23 2.15 0.91 -4.42 116.67 120.47 1f8h s ASP 58 Ca -0.08 -0.44 0.22 0.00 0.43 0.00 0.00 52.55 52.68 1f8h s ASP 58 Cb 0.07 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.75 1f8h s ASP 58 CO 0.83 -2.59 1.69 0.40 -0.17 0.00 0.00 175.17 175.33 1f8h h ILE 59 N 7.13 0.51 -0.00 4.11 1.08 -1.82 -3.26 117.51 125.26 1f8h h ILE 59 Ca 0.00 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 1f8h h ILE 59 Cb 1.05 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 1f8h h ILE 59 CO 1.22 0.24 -0.47 -0.90 -0.69 0.00 0.00 178.15 177.56 1f8h n ASP 60 N -3.27 0.56 -3.54 1.72 5.68 -1.26 -5.00 116.55 111.44 1f8h n ASP 60 Ca 0.01 -0.78 -0.21 0.00 -0.50 0.00 0.00 54.79 53.31 1f8h n ASP 60 Cb 0.53 0.95 0.08 0.00 -1.14 0.00 0.00 41.12 41.54 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 -1.16 -2.53 -0.19 2.11 8.25 -1.23 -4.89 115.22 115.58 1f8h n HIS 61 Ca 0.02 0.97 0.08 0.00 -0.26 0.00 0.00 57.72 58.54 1f8h n HIS 61 Cb 0.17 -5.01 0.21 0.00 1.12 0.00 0.00 29.99 26.47 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 -3.06 3.26 0.00 0.41 5.75 -1.26 -4.93 116.55 116.71 1f8h n ASP 62 Ca -0.13 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1f8h n ASP 62 Cb 0.61 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.95 0.38 3.33 6.12 0.00 -1.26 -5.03 105.19 109.68 1f8h n GLY 63 Ca 0.16 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.95 1.09 -0.34 1.61 -1.94 -1.25 -2.78 119.30 112.73 1f8h s MET 64 Ca 0.00 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 1f8h s MET 64 Cb 0.00 0.45 0.09 0.00 2.01 0.00 0.00 34.83 37.37 1f8h s MET 64 CO 0.00 -0.42 0.07 -0.51 -0.01 0.00 0.00 175.02 174.15 1f8h s LEU 65 N -2.84 4.59 1.10 -0.03 1.43 0.36 -4.73 118.68 118.56 1f8h s LEU 65 Ca 0.06 -1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 51.15 1f8h s LEU 65 Cb 0.02 -1.70 0.24 0.00 0.03 0.00 0.00 46.19 44.78 1f8h s LEU 65 CO -0.09 -0.39 1.09 -0.62 0.23 0.00 0.00 176.35 176.58 1f8h s ASP 66 N 1.28 1.73 0.49 2.29 2.15 -1.26 -2.00 116.67 121.36 1f8h s ASP 66 Ca 0.05 0.95 0.28 0.00 0.43 0.00 0.00 52.55 54.26 1f8h s ASP 66 Cb -0.20 -1.45 1.36 0.00 -0.30 0.00 0.00 42.92 42.32 1f8h s ASP 66 CO -0.05 -3.66 1.84 0.08 -0.17 0.00 0.00 175.17 173.21 1f8h h ARG 67 N -2.26 0.14 0.01 4.34 0.11 -1.95 1.53 114.38 116.30 1f8h h ARG 67 Ca -0.51 -0.01 -0.28 0.00 0.10 0.00 0.00 59.98 59.28 1f8h h ARG 67 Cb 1.32 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 32.32 1f8h h ARG 67 CO 0.48 0.10 -1.57 -0.44 0.10 0.00 0.00 179.97 178.63 1f8h h ASP 68 N 0.15 0.02 0.19 0.08 3.32 -1.90 -3.13 116.42 115.15 1f8h h ASP 68 Ca 0.50 -0.04 -0.31 0.00 0.02 0.00 0.00 57.03 57.21 1f8h h ASP 68 Cb 1.71 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 41.29 1f8h h ASP 68 CO -0.09 1.03 -1.32 -0.33 -1.72 0.00 0.00 179.24 176.81 1f8h h GLU 69 N 0.00 0.55 0.00 3.56 5.08 -0.90 -3.11 114.58 119.76 1f8h h GLU 69 Ca -0.23 -0.85 -0.02 0.00 -1.00 0.00 0.00 59.36 57.26 1f8h h GLU 69 Cb 1.97 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 31.52 1f8h h GLU 69 CO 0.09 1.40 -0.08 0.35 -1.00 0.00 0.00 179.01 179.76 1f8h h PHE 70 N 0.13 0.00 0.09 4.33 3.57 0.19 -2.71 116.94 122.54 1f8h h PHE 70 Ca -0.22 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1f8h h PHE 70 Cb 2.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.76 1f8h h PHE 70 CO 0.13 0.08 -0.04 0.00 -2.23 0.00 0.00 178.31 176.25 1f8h h ALA 71 N 1.92 -0.13 -0.16 2.41 0.00 -1.48 -2.77 119.26 119.05 1f8h h ALA 71 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1f8h h ALA 71 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1f8h h ALA 71 CO 0.01 -0.32 0.17 0.28 0.00 0.00 0.00 179.25 179.39 1f8h h VAL 72 N -0.63 0.50 -0.01 0.00 2.07 -1.43 0.37 116.25 117.12 1f8h h VAL 72 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1f8h h VAL 72 Cb 0.51 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1f8h h VAL 72 CO 0.02 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.38 1f8h n ALA 73 N -2.34 3.01 -0.02 1.67 0.00 -1.09 -3.24 120.51 118.50 1f8h n ALA 73 Ca 0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1f8h n ALA 73 Cb 0.29 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 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 1.07 0.18 0.00 0.00 2.86 -0.63 -3.06 114.93 115.35 1f8h h MET 74 Ca 0.00 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1f8h h MET 74 Cb 0.48 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1f8h h MET 74 CO 0.00 1.15 -0.19 0.27 1.06 0.00 0.00 176.91 179.20 1f8h h PHE 75 N -0.37 0.00 0.00 -0.22 -0.00 -1.71 -0.71 116.94 113.94 1f8h h PHE 75 Ca -0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.54 1f8h h PHE 75 Cb 1.73 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.67 1f8h h PHE 75 CO 0.10 0.19 -0.33 -0.07 -0.00 0.00 0.00 178.31 178.20 1f8h h LEU 76 N 0.00 0.00 0.10 2.10 3.38 -1.68 -1.74 115.31 117.47 1f8h h LEU 76 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1f8h h LEU 76 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1f8h h LEU 76 CO 0.03 0.33 -2.01 0.52 0.09 0.00 0.00 178.44 177.40 1f8h n VAL 77 N -3.35 1.73 0.24 1.22 0.31 -1.06 -3.67 118.33 113.74 1f8h n VAL 77 Ca 0.01 -0.59 0.12 0.00 -0.01 0.00 0.00 64.34 63.87 1f8h n VAL 77 Cb 0.54 -1.72 0.49 0.00 -0.91 0.00 0.00 33.84 32.25 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 -0.04 0.00 0.00 3.52 0.05 -1.17 -2.76 116.97 116.57 1f8h h TYR 78 Ca -0.44 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 1f8h h TYR 78 Cb 1.95 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.69 1f8h h TYR 78 CO 0.07 0.15 -0.39 0.00 -1.05 0.00 0.00 178.16 176.94 1f8h n ALA 80 N -2.15 2.36 -0.02 0.00 0.00 -1.04 0.23 120.51 119.90 1f8h n ALA 80 Ca 0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1f8h n ALA 80 Cb 0.57 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.94 2.59 0.00 0.00 4.77 -1.19 -4.66 117.00 116.56 1f8h n LEU 81 Ca 0.06 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1f8h n LEU 81 Cb 0.39 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1f8h n LEU 81 CO 0.29 0.80 0.02 1.21 -1.33 0.00 0.00 177.39 178.38 1f8h n GLU 82 N -3.57 4.53 0.00 3.23 2.13 -1.19 -4.99 120.64 120.78 1f8h n GLU 82 Ca -0.33 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.45 1f8h n GLU 82 Cb 1.01 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 32.31 1f8h n GLU 82 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1f8h n LYS 83 N -0.66 0.00 -4.11 5.31 5.02 0.17 -5.05 118.16 118.85 1f8h n LYS 83 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1f8h n LYS 83 Cb 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.95 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1f8h s GLU 84 N 0.00 1.54 0.00 1.97 2.02 0.63 -4.91 118.70 119.95 1f8h s GLU 84 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1f8h s GLU 84 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1f8h s GLU 84 CO 0.00 -0.60 0.00 -0.35 0.02 0.00 0.00 175.26 174.33 1f8h n PRO 85 N -0.41 -1.08 -4.70 0.39 -0.04 -1.26 -2.49 135.00 125.41 1f8h n PRO 85 Ca 0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 1f8h n PRO 85 Cb 0.63 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.93 1.21 0.83 0.52 1.01 -1.26 -4.78 120.40 117.00 1f8h s VAL 86 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1f8h s VAL 86 Cb 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 36.38 35.49 1f8h s VAL 86 CO 0.00 0.35 1.15 -2.16 0.00 0.00 0.00 175.10 174.44 1f8h s PRO 87 N -0.11 1.38 -0.16 2.72 0.04 -1.26 -4.99 135.00 132.62 1f8h s PRO 87 Ca 0.01 -0.52 0.16 0.00 0.04 0.00 0.00 61.00 60.68 1f8h s PRO 87 Cb -0.08 -2.06 0.56 0.00 0.04 0.00 0.00 34.50 32.96 1f8h s PRO 87 CO 0.01 -1.82 1.47 -1.33 0.04 0.00 0.00 177.00 175.36 1f8h n MET 88 N -3.29 3.30 -3.77 4.56 2.81 -1.26 -4.85 117.12 114.62 1f8h n MET 88 Ca 0.13 -2.79 -0.36 0.00 -1.81 0.00 0.00 57.70 52.86 1f8h n MET 88 Cb 0.60 -1.84 -0.11 0.00 -0.71 0.00 0.00 33.22 31.16 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 -1.55 5.27 -0.61 7.83 0.01 -1.26 -4.90 113.70 118.49 1f8h s SER 89 Ca 0.42 -2.07 -0.34 0.00 1.31 0.00 0.00 55.95 55.27 1f8h s SER 89 Cb 0.32 -1.84 -0.15 0.00 0.21 0.00 0.00 66.02 64.56 1f8h s SER 89 CO 0.12 -0.54 2.39 -0.11 0.41 0.00 0.00 173.24 175.51 1f8h n LEU 90 N 4.55 1.33 -4.78 2.44 0.00 -1.26 -4.85 117.00 114.42 1f8h n LEU 90 Ca -0.02 0.22 -0.35 0.00 0.00 0.00 0.00 56.01 55.85 1f8h n LEU 90 Cb 0.41 -1.15 -0.01 0.00 0.00 0.00 0.00 43.42 42.67 1f8h n LEU 90 CO 0.33 -0.89 0.77 -2.16 0.00 0.00 0.00 177.39 175.45 1f8h s PRO 91 N 7.45 3.62 0.28 1.96 0.04 -1.26 -4.92 135.00 142.16 1f8h s PRO 91 Ca 1.18 1.57 0.24 0.00 0.04 0.00 0.00 61.00 64.03 1f8h s PRO 91 Cb -0.97 -2.15 1.00 0.00 0.04 0.00 0.00 34.50 32.41 1f8h s PRO 91 CO 0.48 -0.62 1.73 -1.00 0.04 0.00 0.00 177.00 177.63 1f8h h PRO 92 N 1.57 0.00 -0.00 0.56 0.13 -1.98 -2.20 132.00 130.07 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1f8h h PRO 92 CO 0.59 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.28 1f8h n ALA 93 N -1.80 2.72 0.72 -0.56 0.00 -1.26 -3.35 120.51 116.98 1f8h n ALA 93 Ca 0.02 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.26 1f8h n ALA 93 Cb 0.24 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.80 0.96 -4.71 0.00 7.99 -0.83 0.15 117.00 119.75 1f8h n LEU 94 Ca 0.17 -0.57 -0.42 0.00 -0.01 0.00 0.00 56.01 55.18 1f8h n LEU 94 Cb 0.26 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.54 1f8h n LEU 94 CO 0.22 0.21 0.89 -0.69 -1.51 0.00 0.00 177.39 176.51 1f8h s VAL 95 N -2.29 4.01 1.09 4.08 1.01 -1.21 -4.85 120.40 122.24 1f8h s VAL 95 Ca 0.08 1.44 -0.16 0.00 0.00 0.00 0.00 61.98 63.34 1f8h s VAL 95 Cb 0.12 -3.93 0.24 0.00 0.00 0.00 0.00 36.38 32.81 1f8h s VAL 95 CO 0.57 0.11 1.13 -2.16 0.00 0.00 0.00 175.10 174.75 1f8h s PRO 96 N 1.06 -0.35 0.50 2.72 0.04 -1.26 -4.89 135.00 132.82 1f8h s PRO 96 Ca 0.59 0.09 0.29 0.00 0.04 0.00 0.00 61.00 62.01 1f8h s PRO 96 Cb -0.30 -1.68 1.08 0.00 0.04 0.00 0.00 34.50 33.64 1f8h s PRO 96 CO 0.29 -3.16 1.88 -1.00 0.04 0.00 0.00 177.00 175.05 1f8h h PRO 97 N -2.19 0.00 0.00 0.56 0.13 -2.00 -2.81 132.00 125.68 1f8h h PRO 97 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.44 0.08 0.00 1.03 -0.23 0.00 0.00 178.00 179.33 1f8h h SER 98 N 0.00 0.00 -0.56 1.44 0.87 -2.03 -0.67 113.55 112.60 1f8h h SER 98 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f8h h SER 98 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1f8h h SER 98 CO 0.01 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.48 1f8h n LYS 99 N -2.42 2.45 0.00 2.24 4.81 -1.06 -5.25 118.16 118.93 1f8h n LYS 99 Ca 0.01 -2.23 0.01 0.00 -0.87 0.00 0.00 58.31 55.22 1f8h n LYS 99 Cb 0.17 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.76 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11