#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 3.32 0.57 0.54 -0.00 -1.26 -4.53 118.94 117.58 1f8h s TRP 7 Ca 0.00 0.30 0.32 0.00 -0.00 0.00 0.00 56.10 56.72 1f8h s TRP 7 Cb 0.00 -2.33 1.44 0.00 -0.00 0.00 0.00 33.47 32.58 1f8h s TRP 7 CO 0.00 0.04 1.78 0.00 -0.00 0.00 0.00 176.95 178.77 1f8h h ALA 8 N 7.50 2.72 -2.67 5.86 0.00 0.53 -3.36 119.26 129.84 1f8h h ALA 8 Ca -0.37 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 1f8h h ALA 8 Cb 1.17 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1f8h h ALA 8 CO 0.67 -1.19 -0.04 0.08 0.00 0.00 0.00 179.25 178.76 1f8h s VAL 9 N -4.75 5.10 0.92 0.00 1.01 -1.26 -5.05 120.40 116.36 1f8h s VAL 9 Ca -0.04 0.91 -0.15 0.00 0.00 0.00 0.00 61.98 62.70 1f8h s VAL 9 Cb 0.19 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.91 1f8h s VAL 9 CO 0.66 0.15 1.28 -0.54 0.00 0.00 0.00 175.10 176.64 1f8h s LYS 10 N 1.87 0.99 0.25 2.72 1.02 -1.26 -4.80 119.74 120.53 1f8h s LYS 10 Ca 0.23 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.94 1f8h s LYS 10 Cb -0.15 -1.89 0.29 0.00 -0.52 0.00 0.00 37.83 35.56 1f8h s LYS 10 CO 0.09 -2.19 1.61 -1.00 -0.92 0.00 0.00 175.35 172.94 1f8h h PRO 11 N -1.47 0.38 0.00 -1.68 0.13 -1.97 0.37 132.00 127.76 1f8h h PRO 11 Ca -0.45 -0.21 -0.05 0.00 -0.87 0.00 0.00 66.00 64.42 1f8h h PRO 11 Cb 1.26 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1f8h h PRO 11 CO 0.45 0.77 -0.25 1.05 -0.23 0.00 0.00 178.00 179.79 1f8h h GLU 12 N 0.31 0.00 0.19 0.86 -0.00 -1.99 -2.47 114.58 111.47 1f8h h GLU 12 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.05 1f8h h GLU 12 Cb 0.94 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.71 1f8h h GLU 12 CO 0.08 0.25 -1.57 -0.44 -0.00 0.00 0.00 179.01 177.34 1f8h h ASP 13 N 0.00 0.63 1.03 3.06 3.32 -1.85 -3.14 116.42 119.47 1f8h h ASP 13 Ca -0.00 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1f8h h ASP 13 Cb 1.17 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1f8h h ASP 13 CO 0.03 1.65 0.00 1.17 -1.72 0.00 0.00 179.24 180.37 1f8h n LYS 14 N -3.60 0.23 0.03 3.56 0.00 0.09 -2.04 118.16 116.45 1f8h n LYS 14 Ca -0.19 0.35 -0.19 0.00 0.00 0.00 0.00 58.31 58.28 1f8h n LYS 14 Cb 1.07 -1.86 -0.12 0.00 0.00 0.00 0.00 35.03 34.12 1f8h n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f8h h ALA 15 N 2.35 0.01 0.00 3.14 0.00 -1.43 -1.77 119.26 121.56 1f8h h ALA 15 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1f8h h ALA 15 Cb 0.52 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1f8h h ALA 15 CO 0.00 0.44 -0.40 1.57 0.00 0.00 0.00 179.25 180.86 1f8h h LYS 16 N -0.08 0.00 -0.13 0.00 2.10 -1.49 -2.62 116.57 114.34 1f8h h LYS 16 Ca -0.12 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.37 1f8h h LYS 16 Cb 1.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.86 1f8h h LYS 16 CO 0.15 0.40 -0.60 1.88 -2.00 0.00 0.00 179.45 179.28 1f8h h TYR 17 N 0.00 0.58 0.00 0.07 -1.99 -1.38 -2.29 116.97 111.96 1f8h h TYR 17 Ca -0.00 -0.22 -0.04 0.00 2.00 0.00 0.00 58.73 60.47 1f8h h TYR 17 Cb 0.96 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 1f8h h TYR 17 CO 0.00 0.94 -0.20 0.22 -0.00 0.00 0.00 178.16 179.12 1f8h h ASP 18 N 0.34 0.00 0.83 3.88 3.58 -1.02 0.26 116.42 124.28 1f8h h ASP 18 Ca -0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 1f8h h ASP 18 Cb 1.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1f8h h ASP 18 CO 0.11 0.20 -1.12 0.00 -2.88 0.00 0.00 179.24 175.54 1f8h h ALA 19 N 1.80 0.25 0.05 -0.78 0.00 -1.20 -0.39 119.26 118.98 1f8h h ALA 19 Ca -0.00 -0.91 -0.24 0.00 0.00 0.00 0.00 54.91 53.75 1f8h h ALA 19 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1f8h h ALA 19 CO 0.03 1.14 -1.18 0.82 0.00 0.00 0.00 179.25 180.05 1f8h h ILE 20 N 0.03 1.53 -0.12 0.00 2.04 -1.14 -1.10 117.51 118.75 1f8h h ILE 20 Ca -0.07 -3.21 -0.20 0.00 1.00 0.00 0.00 64.86 62.38 1f8h h ILE 20 Cb 1.86 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 40.77 1f8h h ILE 20 CO 0.16 0.90 -0.73 0.15 0.00 0.00 0.00 178.15 178.63 1f8h h PHE 21 N 0.03 0.77 -0.01 1.37 3.04 -0.50 -2.96 116.94 118.67 1f8h h PHE 21 Ca -0.09 -0.33 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1f8h h PHE 21 Cb 1.87 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.26 1f8h h PHE 21 CO 0.02 1.12 -0.07 -3.47 -2.02 0.00 0.00 178.31 173.90 1f8h n ASP 22 N -3.89 1.18 -0.29 0.41 2.03 -0.16 -3.49 116.55 112.35 1f8h n ASP 22 Ca -0.05 -1.25 0.13 0.00 0.52 0.00 0.00 54.79 54.14 1f8h n ASP 22 Cb 0.71 0.02 0.40 0.00 -0.72 0.00 0.00 41.12 41.54 1f8h n ASP 22 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1f8h n SER 23 N -0.20 1.11 -0.07 1.67 2.88 -0.42 -3.56 113.62 115.03 1f8h n SER 23 Ca 0.18 -1.00 0.06 0.00 -1.33 0.00 0.00 58.87 56.78 1f8h n SER 23 Cb 0.33 0.11 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.50 0.77 -0.97 2.46 4.77 -1.23 -5.05 117.00 117.25 1f8h n LEU 24 Ca 0.13 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1f8h n LEU 24 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1f8h n LEU 24 CO 0.24 0.17 0.00 -1.20 -1.33 0.00 0.00 177.39 175.28 1f8h n SER 25 N -1.01 -1.30 -4.78 -1.43 7.64 -1.23 -5.02 113.62 106.50 1f8h n SER 25 Ca 0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 1f8h n SER 25 Cb 0.20 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.74 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 -0.32 3.70 -0.34 1.43 0.04 -1.26 -4.86 135.00 133.38 1f8h s PRO 26 Ca 0.00 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.64 1f8h s PRO 26 Cb 0.00 -2.20 0.10 0.00 0.04 0.00 0.00 34.50 32.43 1f8h s PRO 26 CO 0.00 -0.55 0.05 0.08 0.04 0.00 0.00 177.00 176.62 1f8h s VAL 27 N -1.76 2.31 -1.19 -0.36 1.01 0.79 -4.64 120.40 116.56 1f8h s VAL 27 Ca 0.67 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1f8h s VAL 27 Cb -0.22 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1f8h s VAL 27 CO 0.27 -0.58 0.00 -3.20 0.00 0.00 0.00 175.10 171.58 1f8h n ASN 28 N 4.27 -5.18 -0.03 3.32 5.15 -1.26 -2.03 115.26 119.49 1f8h n ASN 28 Ca 0.03 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1f8h n ASN 28 Cb 0.42 -3.67 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 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 -0.49 1.46 3.23 8.20 0.00 -1.26 -5.08 105.19 111.24 1f8h n GLY 29 Ca -0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 -0.23 -0.08 1.61 0.08 -0.86 -3.77 117.98 112.67 1f8h s PHE 30 Ca 0.00 0.43 0.03 0.00 0.12 0.00 0.00 56.93 57.51 1f8h s PHE 30 Cb 0.00 0.10 -0.02 0.00 -0.57 0.00 0.00 43.02 42.54 1f8h s PHE 30 CO 0.00 -0.33 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.09 1f8h s LEU 31 N -0.94 2.45 0.39 -0.37 1.43 -0.90 -0.14 118.68 120.58 1f8h s LEU 31 Ca -0.10 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 1f8h s LEU 31 Cb -0.05 -1.50 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 1f8h s LEU 31 CO 0.03 0.24 0.99 -0.94 0.23 0.00 0.00 176.35 176.90 1f8h s SER 32 N -0.11 6.96 0.58 2.29 1.04 -1.26 0.28 113.70 123.48 1f8h s SER 32 Ca -0.03 1.89 0.34 0.00 0.48 0.00 0.00 55.95 58.62 1f8h s SER 32 Cb -0.14 -2.57 1.33 0.00 0.10 0.00 0.00 66.02 64.74 1f8h s SER 32 CO 0.04 -0.34 1.59 1.23 0.98 0.00 0.00 173.24 176.73 1f8h h GLY 33 N 2.52 0.00 2.00 7.32 0.00 -1.88 2.30 103.07 115.33 1f8h h GLY 33 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1f8h h GLY 33 CO 0.63 0.00 -0.04 -0.55 0.00 0.00 0.00 176.54 176.58 1f8h h ASP 34 N 0.00 0.00 0.08 0.19 3.32 -1.88 2.29 116.42 120.42 1f8h h ASP 34 Ca 0.53 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.22 1f8h h ASP 34 Cb 2.57 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 42.05 1f8h h ASP 34 CO -0.01 0.04 -2.28 0.29 -1.72 0.00 0.00 179.24 175.56 1f8h n LYS 35 N -3.82 0.68 -0.05 3.56 5.02 0.77 -4.33 118.16 119.98 1f8h n LYS 35 Ca -0.03 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 1f8h n LYS 35 Cb 0.13 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 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 1.40 -0.99 -0.18 2.07 -0.79 -3.16 116.25 114.61 1f8h h VAL 36 Ca -0.51 -2.34 0.16 0.00 0.82 0.00 0.00 66.70 64.83 1f8h h VAL 36 Cb 2.14 2.96 -0.16 0.00 -1.52 0.00 0.00 31.29 34.70 1f8h h VAL 36 CO 0.02 0.56 -0.37 0.50 0.02 0.00 0.00 177.57 178.30 1f8h h LYS 37 N -0.80 -0.00 -0.02 1.57 3.64 0.36 1.40 116.57 122.71 1f8h h LYS 37 Ca -0.16 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1f8h h LYS 37 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1f8h h LYS 37 CO -0.02 -0.00 -0.36 -1.00 -2.27 0.00 0.00 179.45 175.79 1f8h h PRO 38 N -0.00 0.05 -0.03 1.90 0.13 -1.72 0.62 132.00 132.94 1f8h h PRO 38 Ca 0.36 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.38 1f8h h PRO 38 Cb 0.61 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1f8h h PRO 38 CO -0.99 0.41 -0.43 0.28 -0.23 0.00 0.00 178.00 177.04 1f8h h VAL 39 N 0.04 1.31 0.00 1.56 2.07 0.17 -2.76 116.25 118.65 1f8h h VAL 39 Ca 0.00 -1.51 -0.23 0.00 0.82 0.00 0.00 66.70 65.78 1f8h h VAL 39 Cb 0.67 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1f8h h VAL 39 CO 0.05 0.44 -1.49 -0.07 0.02 0.00 0.00 177.57 176.52 1f8h h LEU 40 N 0.05 0.00 -0.15 2.57 3.38 0.32 -3.28 115.31 118.20 1f8h h LEU 40 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f8h h LEU 40 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1f8h h LEU 40 CO 0.06 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.60 1f8h n LEU 41 N -3.03 0.19 -0.22 1.67 4.77 0.15 -2.05 117.00 118.48 1f8h n LEU 41 Ca -0.12 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1f8h n LEU 41 Cb 0.95 -0.51 0.37 0.00 -2.33 0.00 0.00 43.42 41.91 1f8h n LEU 41 CO 0.44 -0.28 0.64 -3.20 -1.33 0.00 0.00 177.39 173.66 1f8h n ASN 42 N -1.70 0.96 -0.39 -1.43 5.15 -1.05 -3.89 115.26 112.92 1f8h n ASN 42 Ca 0.04 -0.82 0.02 0.00 -0.60 0.00 0.00 54.58 53.21 1f8h n ASN 42 Cb 0.22 0.14 0.06 0.00 -0.53 0.00 0.00 39.78 39.66 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 -0.73 1.01 0.00 1.20 3.41 -0.87 -4.83 113.62 112.80 1f8h n SER 43 Ca 0.12 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1f8h n SER 43 Cb 0.34 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.07 -1.49 -3.46 4.33 3.00 -1.25 -4.91 118.16 114.32 1f8h n LYS 44 Ca 0.04 0.37 -0.25 0.00 -0.00 0.00 0.00 58.31 58.47 1f8h n LYS 44 Cb 0.20 -4.61 -0.02 0.00 0.00 0.00 0.00 35.03 30.60 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 4.08 0.98 3.14 1.43 -1.26 -5.09 118.68 121.96 1f8h s LEU 45 Ca 0.00 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 1f8h s LEU 45 Cb 0.00 -3.31 0.18 0.00 0.03 0.00 0.00 46.19 43.09 1f8h s LEU 45 CO 0.00 -0.21 1.18 -2.16 0.23 0.00 0.00 176.35 175.39 1f8h s PRO 46 N -3.94 0.54 0.00 1.29 0.04 -1.26 -4.84 135.00 126.83 1f8h s PRO 46 Ca 0.40 0.03 0.23 0.00 0.04 0.00 0.00 61.00 61.70 1f8h s PRO 46 Cb -0.10 -1.79 1.31 0.00 0.04 0.00 0.00 34.50 33.96 1f8h s PRO 46 CO 0.33 -2.56 1.74 0.28 0.04 0.00 0.00 177.00 176.83 1f8h n VAL 47 N -3.96 0.08 0.06 -0.36 0.31 -1.26 -2.54 118.33 110.65 1f8h n VAL 47 Ca 0.10 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.36 1f8h n VAL 47 Cb 0.59 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.10 0.21 4.52 5.19 -1.97 0.49 116.42 124.95 1f8h h ASP 48 Ca 0.00 -0.11 -0.34 0.00 -0.62 0.00 0.00 57.03 55.96 1f8h h ASP 48 Cb 0.05 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.55 1f8h h ASP 48 CO 0.00 1.09 -1.60 0.40 -3.12 0.00 0.00 179.24 176.01 1f8h h ILE 49 N 0.02 1.10 0.00 0.35 1.08 -1.85 -3.02 117.51 115.18 1f8h h ILE 49 Ca -0.08 -2.58 -0.09 0.00 -0.39 0.00 0.00 64.86 61.72 1f8h h ILE 49 Cb 1.85 2.90 -0.01 0.00 -3.07 0.00 0.00 36.82 38.48 1f8h h ILE 49 CO 0.14 0.83 -0.41 -0.07 -0.69 0.00 0.00 178.15 177.95 1f8h h LEU 50 N 0.09 0.00 -0.82 1.44 3.38 -1.62 1.25 115.31 119.03 1f8h h LEU 50 Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1f8h h LEU 50 Cb 2.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 1f8h h LEU 50 CO 0.21 0.41 -0.35 1.23 0.09 0.00 0.00 178.44 180.03 1f8h h GLY 51 N 2.36 0.00 0.00 0.83 0.00 -0.95 -1.76 103.07 103.55 1f8h h GLY 51 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1f8h h GLY 51 CO 0.05 0.00 -2.26 -2.13 0.00 0.00 0.00 176.54 172.20 1f8h n ARG 52 N -3.44 0.79 -0.04 4.80 0.63 -0.95 -3.73 116.66 114.73 1f8h n ARG 52 Ca 0.00 -0.04 -0.16 0.00 -0.92 0.00 0.00 57.85 56.73 1f8h n ARG 52 Cb 0.53 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.89 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 1.28 0.07 5.15 2.07 0.16 -0.93 116.25 124.06 1f8h h VAL 53 Ca -0.43 -1.89 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 1f8h h VAL 53 Cb 1.96 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1f8h h VAL 53 CO 0.02 0.60 -0.04 -0.25 0.02 0.00 0.00 177.57 177.93 1f8h h TRP 54 N 0.57 -0.09 0.13 1.57 2.91 -1.52 0.24 115.95 119.75 1f8h h TRP 54 Ca -0.03 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.01 1f8h h TRP 54 Cb 1.30 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.95 1f8h h TRP 54 CO 0.08 0.17 -0.22 0.93 -1.03 0.00 0.00 178.44 178.37 1f8h h GLU 55 N -0.35 -0.41 0.00 2.65 4.39 -1.63 3.02 114.58 122.24 1f8h h GLU 55 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1f8h h GLU 55 Cb 0.31 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1f8h h GLU 55 CO 0.02 -0.27 0.00 1.28 -1.16 0.00 0.00 179.01 178.87 1f8h n LEU 56 N -5.35 0.35 -0.06 1.33 4.77 -0.36 -1.08 117.00 116.61 1f8h n LEU 56 Ca -0.07 0.62 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1f8h n LEU 56 Cb 0.26 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 1f8h n LEU 56 CO 0.27 -0.61 -0.82 -0.24 -1.33 0.00 0.00 177.39 174.66 1f8h n SER 57 N -1.93 0.45 -4.55 -1.43 2.88 0.19 -4.77 113.62 104.45 1f8h n SER 57 Ca 0.01 0.21 -0.40 0.00 -1.33 0.00 0.00 58.87 57.36 1f8h n SER 57 Cb 0.10 0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 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 -5.77 5.73 0.13 -3.46 -1.08 0.95 -4.63 116.67 108.54 1f8h s ASP 58 Ca -0.07 0.04 0.08 0.00 -0.52 0.00 0.00 52.55 52.08 1f8h s ASP 58 Cb 0.07 -2.54 -0.18 0.00 -1.46 0.00 0.00 42.92 38.81 1f8h s ASP 58 CO 0.83 -2.08 1.27 0.40 0.52 0.00 0.00 175.17 176.11 1f8h h ILE 59 N 6.49 1.59 0.00 4.11 1.08 -1.86 -3.33 117.51 125.59 1f8h h ILE 59 Ca -0.27 -3.26 0.00 0.00 -0.39 0.00 0.00 64.86 60.94 1f8h h ILE 59 Cb 1.11 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 37.64 1f8h h ILE 59 CO 1.23 0.90 -1.75 0.47 -0.69 0.00 0.00 178.15 178.32 1f8h n ASP 60 N -3.32 0.58 -2.72 1.72 8.00 -1.26 -5.00 116.55 114.55 1f8h n ASP 60 Ca -0.00 -0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 1f8h n ASP 60 Cb 0.92 1.77 0.06 0.00 -0.02 0.00 0.00 41.12 43.85 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 -2.07 -1.96 0.89 1.24 8.25 -1.25 -4.91 115.22 115.40 1f8h n HIS 61 Ca -0.03 0.72 0.10 0.00 -0.26 0.00 0.00 57.72 58.25 1f8h n HIS 61 Cb 0.48 -3.96 0.02 0.00 1.12 0.00 0.00 29.99 27.65 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 -1.90 2.07 0.00 0.41 5.68 -1.26 -4.95 116.55 116.60 1f8h n ASP 62 Ca -0.04 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1f8h n ASP 62 Cb 0.56 0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 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 1.29 1.29 3.34 6.12 0.00 -1.26 -5.08 105.19 110.89 1f8h n GLY 63 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.22 1.10 -0.33 1.61 -1.94 -1.26 -2.69 119.30 114.58 1f8h s MET 64 Ca 0.00 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.21 1f8h s MET 64 Cb 0.00 0.45 0.09 0.00 2.01 0.00 0.00 34.83 37.38 1f8h s MET 64 CO 0.00 -0.43 0.02 -0.51 -0.01 0.00 0.00 175.02 174.09 1f8h s LEU 65 N -2.84 4.51 0.92 -0.03 1.43 0.14 -4.77 118.68 118.04 1f8h s LEU 65 Ca 0.06 -1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 51.04 1f8h s LEU 65 Cb 0.02 -1.62 0.14 0.00 0.03 0.00 0.00 46.19 44.76 1f8h s LEU 65 CO -0.09 -0.34 1.10 1.51 0.23 0.00 0.00 176.35 178.75 1f8h s ASP 66 N 0.97 3.34 0.28 2.29 1.47 -1.25 -2.13 116.67 121.63 1f8h s ASP 66 Ca 0.07 1.26 0.03 0.00 1.18 0.00 0.00 52.55 55.08 1f8h s ASP 66 Cb -0.19 -1.92 0.71 0.00 -0.34 0.00 0.00 42.92 41.18 1f8h s ASP 66 CO -0.07 -2.69 1.38 -2.11 0.68 0.00 0.00 175.17 172.35 1f8h n ARG 67 N -3.90 -0.07 0.07 2.11 1.85 -1.25 0.13 116.66 115.61 1f8h n ARG 67 Ca 0.06 1.31 -0.17 0.00 -1.00 0.00 0.00 57.85 58.05 1f8h n ARG 67 Cb 0.57 -2.10 -0.08 0.00 -1.05 0.00 0.00 32.46 29.80 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 0.66 -0.14 2.89 3.32 -1.91 -2.90 116.42 118.34 1f8h h ASP 68 Ca 0.55 -0.56 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1f8h h ASP 68 Cb 1.17 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1f8h h ASP 68 CO -0.81 1.37 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.41 1f8h h GLU 69 N 0.25 0.48 0.00 3.56 5.08 -0.15 -2.40 114.58 121.41 1f8h h GLU 69 Ca -0.11 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1f8h h GLU 69 Cb 1.70 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1f8h h GLU 69 CO 0.19 0.94 0.00 0.35 -1.00 0.00 0.00 179.01 179.49 1f8h h PHE 70 N 0.09 0.00 0.09 4.33 3.04 1.00 -1.53 116.94 123.96 1f8h h PHE 70 Ca -0.00 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1f8h h PHE 70 Cb 0.94 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.47 1f8h h PHE 70 CO 0.10 0.00 -0.59 0.00 -2.02 0.00 0.00 178.31 175.80 1f8h h ALA 71 N 2.01 -0.05 0.00 2.41 0.00 -1.22 -2.83 119.26 119.58 1f8h h ALA 71 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1f8h h ALA 71 Cb 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f8h h ALA 71 CO 0.00 0.28 -0.04 0.28 0.00 0.00 0.00 179.25 179.77 1f8h h VAL 72 N -0.47 0.63 -0.00 0.00 2.07 -1.01 -1.01 116.25 116.45 1f8h h VAL 72 Ca -0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1f8h h VAL 72 Cb 1.44 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1f8h h VAL 72 CO 0.11 0.04 -0.43 0.00 0.02 0.00 0.00 177.57 177.31 1f8h n ALA 73 N -2.35 3.43 -0.04 1.67 0.00 -0.98 -3.16 120.51 119.09 1f8h n ALA 73 Ca -0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 1f8h n ALA 73 Cb 0.13 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 0.44 0.10 0.00 0.00 2.86 -0.92 -2.66 114.93 114.75 1f8h h MET 74 Ca 0.00 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.32 1f8h h MET 74 Cb 0.50 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1f8h h MET 74 CO 0.00 1.09 -0.66 0.27 1.06 0.00 0.00 176.91 178.66 1f8h h PHE 75 N -0.75 0.00 0.00 -0.22 -5.15 -1.72 -0.12 116.94 108.99 1f8h h PHE 75 Ca -0.16 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.55 1f8h h PHE 75 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.49 1f8h h PHE 75 CO 0.20 0.66 -0.30 -0.07 -2.00 0.00 0.00 178.31 176.80 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.65 0.55 115.31 119.69 1f8h h LEU 76 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1f8h h LEU 76 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1f8h h LEU 76 CO 0.09 0.30 -1.40 0.52 0.09 0.00 0.00 178.44 178.04 1f8h n VAL 77 N -3.99 0.95 -0.02 1.22 0.31 -1.00 -3.12 118.33 112.68 1f8h n VAL 77 Ca -0.02 -0.65 -0.08 0.00 -0.01 0.00 0.00 64.34 63.59 1f8h n VAL 77 Cb 0.36 -0.56 -0.14 0.00 -0.91 0.00 0.00 33.84 32.60 1f8h n VAL 77 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1f8h n TYR 78 N -2.77 0.99 0.53 3.52 4.01 -0.09 -3.91 117.16 119.43 1f8h n TYR 78 Ca -0.08 0.36 0.12 0.00 -0.16 0.00 0.00 57.90 58.14 1f8h n TYR 78 Cb 0.75 -1.18 0.24 0.00 -0.31 0.00 0.00 39.34 38.85 1f8h n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f8h n ALA 80 N -1.86 2.50 -0.10 0.00 0.00 -1.11 0.11 120.51 120.05 1f8h n ALA 80 Ca 0.04 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1f8h n ALA 80 Cb 0.45 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.54 2.00 -1.47 0.00 4.77 -1.16 -4.67 117.00 114.93 1f8h n LEU 81 Ca 0.07 0.37 -0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1f8h n LEU 81 Cb 0.34 -0.96 0.09 0.00 -2.33 0.00 0.00 43.42 40.56 1f8h n LEU 81 CO 0.28 0.41 0.18 -0.62 -1.33 0.00 0.00 177.39 176.31 1f8h n GLU 82 N -4.26 1.42 0.00 3.23 -0.58 -1.19 -4.99 120.64 114.26 1f8h n GLU 82 Ca -0.36 -3.05 0.00 0.00 -0.42 0.00 0.00 57.16 53.33 1f8h n GLU 82 Cb 0.77 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 1f8h n GLU 82 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1f8h n LYS 83 N -0.44 0.00 -4.14 3.49 3.00 -0.01 -4.99 118.16 115.07 1f8h n LYS 83 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.35 1f8h n LYS 83 Cb 0.90 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.83 1f8h n LYS 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1f8h s GLU 84 N 0.00 0.75 0.00 1.64 -1.05 0.30 -4.95 118.70 115.40 1f8h s GLU 84 Ca 0.00 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 1f8h s GLU 84 Cb 0.00 -0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.30 1f8h s GLU 84 CO 0.00 0.05 0.00 -0.35 0.95 0.00 0.00 175.26 175.91 1f8h n PRO 85 N 0.68 1.11 -4.44 -4.83 -0.04 -1.26 -2.74 135.00 123.48 1f8h n PRO 85 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 1f8h n PRO 85 Cb 0.58 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 3.23 0.00 0.52 1.01 -1.26 -4.72 120.40 119.18 1f8h s VAL 86 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1f8h s VAL 86 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1f8h s VAL 86 CO 0.00 0.27 0.00 -0.81 0.00 0.00 0.00 175.10 174.56 1f8h n PRO 87 N 1.23 0.56 -0.09 2.72 -0.04 -1.26 -5.04 135.00 133.08 1f8h n PRO 87 Ca -0.15 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.35 1f8h n PRO 87 Cb 0.52 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.85 1.59 -0.51 0.54 2.81 -1.26 -4.77 117.12 114.67 1f8h n MET 88 Ca 0.00 -1.74 -0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1f8h n MET 88 Cb 0.00 -1.07 -0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1f8h n MET 88 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1f8h n SER 89 N -0.75 -0.01 -2.04 7.83 2.88 -1.26 -5.03 113.62 115.24 1f8h n SER 89 Ca 0.06 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 1f8h n SER 89 Cb 0.49 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1f8h n SER 89 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1f8h n LEU 90 N 0.00 -6.10 -4.78 2.46 4.77 -1.26 -4.89 117.00 107.19 1f8h n LEU 90 Ca -0.00 3.30 -0.35 0.00 -0.03 0.00 0.00 56.01 58.93 1f8h n LEU 90 Cb 0.51 -3.20 -0.01 0.00 -2.33 0.00 0.00 43.42 38.39 1f8h n LEU 90 CO -0.00 -1.32 0.76 -2.16 -1.33 0.00 0.00 177.39 173.33 1f8h s PRO 91 N -1.10 3.49 0.00 3.23 0.04 -1.26 -4.90 135.00 134.50 1f8h s PRO 91 Ca 0.00 1.52 0.19 0.00 0.04 0.00 0.00 61.00 62.75 1f8h s PRO 91 Cb 0.00 -2.03 1.12 0.00 0.04 0.00 0.00 34.50 33.62 1f8h s PRO 91 CO 0.00 -0.71 1.53 -0.35 0.04 0.00 0.00 177.00 177.50 1f8h n PRO 92 N -1.22 0.57 -0.36 0.56 -0.04 -1.26 -2.27 135.00 130.98 1f8h n PRO 92 Ca 0.11 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1f8h n PRO 92 Cb 0.51 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.02 2.52 -0.23 0.55 0.00 -1.26 -4.35 120.51 116.72 1f8h n ALA 93 Ca 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1f8h n ALA 93 Cb 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1f8h n ALA 93 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f8h n LEU 94 N 0.89 0.06 -4.75 0.00 -0.00 -0.96 0.34 117.00 112.58 1f8h n LEU 94 Ca 0.20 -0.14 -0.38 0.00 -0.00 0.00 0.00 56.01 55.68 1f8h n LEU 94 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.00 1f8h n LEU 94 CO 0.15 0.02 0.23 -0.69 -0.00 0.00 0.00 177.39 177.09 1f8h s VAL 95 N -0.15 5.04 1.19 1.96 1.01 -1.19 -4.76 120.40 123.50 1f8h s VAL 95 Ca 0.00 1.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 1f8h s VAL 95 Cb 0.00 -3.87 0.28 0.00 0.00 0.00 0.00 36.38 32.79 1f8h s VAL 95 CO 0.00 0.39 1.06 -2.16 0.00 0.00 0.00 175.10 174.38 1f8h s PRO 96 N 0.10 -1.07 0.21 2.72 0.04 -1.26 -4.91 135.00 130.83 1f8h s PRO 96 Ca 0.29 0.28 0.23 0.00 0.04 0.00 0.00 61.00 61.84 1f8h s PRO 96 Cb -0.17 -1.58 0.92 0.00 0.04 0.00 0.00 34.50 33.71 1f8h s PRO 96 CO 0.14 -3.69 1.71 -0.35 0.04 0.00 0.00 177.00 174.85 1f8h n PRO 97 N -4.81 0.18 0.26 0.56 -0.04 -1.26 -2.86 135.00 127.04 1f8h n PRO 97 Ca 0.09 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1f8h n PRO 97 Cb 0.58 -1.81 0.69 0.00 -0.04 0.00 0.00 33.50 32.92 1f8h n PRO 97 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1f8h h SER 98 N 0.00 0.00 -0.56 3.54 0.02 -2.04 -1.44 113.55 113.08 1f8h h SER 98 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f8h h SER 98 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1f8h h SER 98 CO 0.00 0.12 0.00 0.29 -1.14 0.00 0.00 176.83 176.10 1f8h n LYS 99 N -3.41 2.78 0.00 3.45 4.76 -1.13 -5.19 118.16 119.42 1f8h n LYS 99 Ca -0.01 -2.20 0.07 0.00 -2.87 0.00 0.00 58.31 53.30 1f8h n LYS 99 Cb 0.29 -1.61 0.44 0.00 -1.84 0.00 0.00 35.03 32.31 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57