#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 3.00 0.55 0.54 -0.00 -1.26 -4.81 118.94 116.96 1f8h s TRP 7 Ca 0.00 1.02 0.46 0.00 -0.00 0.00 0.00 56.10 57.58 1f8h s TRP 7 Cb 0.00 -3.53 1.58 0.00 -0.00 0.00 0.00 33.47 31.52 1f8h s TRP 7 CO 0.00 -1.83 1.49 0.00 -0.00 0.00 0.00 176.95 176.61 1f8h n ALA 8 N 5.46 1.74 -2.29 5.86 0.00 0.19 -4.13 120.51 127.33 1f8h n ALA 8 Ca 0.12 0.60 -0.39 0.00 0.00 0.00 0.00 53.44 53.77 1f8h n ALA 8 Cb 0.45 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 1f8h n ALA 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f8h s VAL 9 N -4.75 4.74 0.68 0.00 1.01 -1.26 -5.06 120.40 115.75 1f8h s VAL 9 Ca -0.05 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1f8h s VAL 9 Cb 0.24 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.79 1f8h s VAL 9 CO 0.81 0.52 0.95 -0.54 0.00 0.00 0.00 175.10 176.84 1f8h s LYS 10 N -0.91 1.96 0.24 2.72 3.01 -1.26 -4.90 119.74 120.61 1f8h s LYS 10 Ca 0.30 -0.86 0.03 0.00 -1.01 0.00 0.00 55.97 54.43 1f8h s LYS 10 Cb -0.20 -2.33 0.28 0.00 -1.01 0.00 0.00 37.83 34.57 1f8h s LYS 10 CO 0.19 -1.24 1.60 -1.00 0.51 0.00 0.00 175.35 175.41 1f8h h PRO 11 N -0.41 0.34 0.00 -1.68 0.13 -1.97 -0.59 132.00 127.82 1f8h h PRO 11 Ca -0.40 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1f8h h PRO 11 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1f8h h PRO 11 CO 0.46 0.77 0.00 1.49 -0.23 0.00 0.00 178.00 180.50 1f8h h GLU 12 N 0.27 0.00 0.12 0.86 4.81 -1.99 -2.32 114.58 116.32 1f8h h GLU 12 Ca 0.01 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1f8h h GLU 12 Cb 0.99 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1f8h h GLU 12 CO 0.08 0.00 -1.34 -0.44 -0.73 0.00 0.00 179.01 176.59 1f8h h ASP 13 N 0.00 0.39 0.49 1.04 3.32 -1.83 -3.13 116.42 116.70 1f8h h ASP 13 Ca 0.00 -0.86 -0.00 0.00 0.02 0.00 0.00 57.03 56.19 1f8h h ASP 13 Cb 0.81 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1f8h h ASP 13 CO 0.00 1.59 -0.01 0.50 -1.72 0.00 0.00 179.24 179.60 1f8h h LYS 14 N -0.32 0.00 -0.00 3.56 1.63 -1.11 0.30 116.57 120.62 1f8h h LYS 14 Ca -0.28 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.32 1f8h h LYS 14 Cb 1.74 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.39 1f8h h LYS 14 CO 0.07 0.01 -0.77 0.00 -3.45 0.00 0.00 179.45 175.31 1f8h h ALA 15 N 1.99 0.10 0.00 5.00 0.00 -1.47 -0.50 119.26 124.38 1f8h h ALA 15 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1f8h h ALA 15 Cb 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1f8h h ALA 15 CO 0.00 0.48 -0.42 1.57 0.00 0.00 0.00 179.25 180.88 1f8h h LYS 16 N 0.10 0.00 -0.08 0.00 2.10 -1.33 -2.77 116.57 114.58 1f8h h LYS 16 Ca -0.10 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.36 1f8h h LYS 16 Cb 1.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.79 1f8h h LYS 16 CO 0.15 0.42 -0.76 1.88 -2.00 0.00 0.00 179.45 179.15 1f8h h TYR 17 N 0.00 0.65 0.00 0.07 -1.99 -0.40 -2.09 116.97 113.21 1f8h h TYR 17 Ca -0.00 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.42 1f8h h TYR 17 Cb 1.25 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.88 1f8h h TYR 17 CO 0.00 1.07 -0.06 -0.44 -0.00 0.00 0.00 178.16 178.74 1f8h h ASP 18 N 0.32 0.00 0.42 3.88 3.32 -1.00 0.14 116.42 123.51 1f8h h ASP 18 Ca -0.04 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.70 1f8h h ASP 18 Cb 1.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.91 1f8h h ASP 18 CO 0.14 0.06 -1.49 0.00 -1.72 0.00 0.00 179.24 176.22 1f8h h ALA 19 N 1.94 0.14 0.00 3.45 0.00 -1.29 -2.01 119.26 121.51 1f8h h ALA 19 Ca -0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 54.91 53.70 1f8h h ALA 19 Cb 0.71 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1f8h h ALA 19 CO 0.01 1.01 -0.84 0.82 0.00 0.00 0.00 179.25 180.25 1f8h h ILE 20 N 0.09 1.53 -0.43 0.00 2.04 -1.24 0.12 117.51 119.62 1f8h h ILE 20 Ca -0.24 -2.67 -0.12 0.00 1.00 0.00 0.00 64.86 62.83 1f8h h ILE 20 Cb 2.05 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 40.58 1f8h h ILE 20 CO 0.19 0.77 -0.21 0.15 0.00 0.00 0.00 178.15 179.06 1f8h h PHE 21 N 0.06 0.96 -0.01 1.37 3.04 -0.75 -2.61 116.94 119.00 1f8h h PHE 21 Ca -0.03 -0.22 0.00 0.00 3.98 0.00 0.00 57.97 61.70 1f8h h PHE 21 Cb 1.47 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1f8h h PHE 21 CO 0.02 0.98 -0.21 -3.47 -2.02 0.00 0.00 178.31 173.60 1f8h n ASP 22 N -4.12 1.27 0.13 0.41 2.03 -0.76 -3.72 116.55 111.79 1f8h n ASP 22 Ca 0.00 -1.10 0.13 0.00 0.52 0.00 0.00 54.79 54.34 1f8h n ASP 22 Cb 0.43 0.13 0.39 0.00 -0.72 0.00 0.00 41.12 41.36 1f8h n ASP 22 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1f8h h SER 23 N 1.65 0.00 0.00 1.67 0.87 -0.36 -3.32 113.55 114.06 1f8h h SER 23 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1f8h h SER 23 Cb 0.54 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1f8h h SER 23 CO 0.00 0.00 -1.76 0.18 -0.53 0.00 0.00 176.83 174.72 1f8h n LEU 24 N -2.40 1.91 0.00 2.23 4.77 -1.23 -5.07 117.00 117.22 1f8h n LEU 24 Ca 0.05 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1f8h n LEU 24 Cb 0.42 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1f8h n LEU 24 CO 0.30 0.26 0.00 -0.24 -1.33 0.00 0.00 177.39 176.38 1f8h n SER 25 N -4.37 0.00 -4.77 -1.43 2.88 -1.25 -5.10 113.62 99.58 1f8h n SER 25 Ca -0.38 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 56.79 1f8h n SER 25 Cb 0.72 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.16 4.06 -0.26 -1.46 0.04 -1.26 -4.73 135.00 131.23 1f8h s PRO 26 Ca 0.00 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1f8h s PRO 26 Cb 0.00 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 32.01 1f8h s PRO 26 CO 0.00 -0.27 -0.08 0.08 0.04 0.00 0.00 177.00 176.76 1f8h s VAL 27 N -1.53 2.45 -0.85 -0.36 1.01 0.51 -4.64 120.40 116.98 1f8h s VAL 27 Ca 0.58 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1f8h s VAL 27 Cb -0.27 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1f8h s VAL 27 CO 0.33 0.03 0.00 -0.46 0.00 0.00 0.00 175.10 175.00 1f8h n ASN 28 N 4.52 -2.51 -0.03 3.32 6.94 -1.26 0.04 115.26 126.28 1f8h n ASN 28 Ca -0.15 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1f8h n ASN 28 Cb 0.44 -2.40 0.00 0.00 -2.36 0.00 0.00 39.78 35.46 1f8h n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f8h n GLY 29 N -0.34 1.42 3.28 4.83 0.00 -1.26 -5.09 105.19 108.02 1f8h n GLY 29 Ca -0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.31 0.08 1.61 0.08 0.11 -3.84 117.98 113.65 1f8h s PHE 30 Ca 0.00 0.61 0.06 0.00 0.12 0.00 0.00 56.93 57.72 1f8h s PHE 30 Cb 0.00 0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.55 1f8h s PHE 30 CO 0.00 -0.35 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.19 1f8h s LEU 31 N -0.81 3.15 0.10 -0.37 1.43 0.63 0.19 118.68 123.00 1f8h s LEU 31 Ca -0.09 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1f8h s LEU 31 Cb -0.04 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 1f8h s LEU 31 CO 0.04 0.20 0.51 -0.94 0.23 0.00 0.00 176.35 176.38 1f8h s SER 32 N -2.08 6.86 0.60 2.29 1.04 -1.26 0.76 113.70 121.91 1f8h s SER 32 Ca 0.21 1.07 0.28 0.00 0.48 0.00 0.00 55.95 57.99 1f8h s SER 32 Cb -0.11 -2.29 1.14 0.00 0.10 0.00 0.00 66.02 64.86 1f8h s SER 32 CO 0.13 0.19 1.52 1.23 0.98 0.00 0.00 173.24 177.30 1f8h h GLY 33 N 4.01 0.00 2.00 7.32 0.00 -1.31 2.48 103.07 117.56 1f8h h GLY 33 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1f8h h GLY 33 CO 0.64 0.00 -0.11 -0.55 0.00 0.00 0.00 176.54 176.52 1f8h h ASP 34 N 0.00 0.00 0.19 0.19 3.32 -1.90 1.19 116.42 119.40 1f8h h ASP 34 Ca 0.39 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.09 1f8h h ASP 34 Cb 2.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.81 1f8h h ASP 34 CO -0.00 0.11 -2.05 0.29 -1.72 0.00 0.00 179.24 175.87 1f8h n LYS 35 N -3.23 0.70 0.05 3.56 5.02 0.83 -4.19 118.16 120.90 1f8h n LYS 35 Ca 0.01 0.22 -0.20 0.00 -2.02 0.00 0.00 58.31 56.32 1f8h n LYS 35 Cb 0.39 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 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 0.03 1.46 -0.94 -0.18 2.07 -1.23 -3.15 116.25 114.32 1f8h h VAL 36 Ca -0.43 -2.45 0.17 0.00 0.82 0.00 0.00 66.70 64.81 1f8h h VAL 36 Cb 2.03 3.04 -0.17 0.00 -1.52 0.00 0.00 31.29 34.67 1f8h h VAL 36 CO 0.05 0.70 -0.30 0.50 0.02 0.00 0.00 177.57 178.54 1f8h h LYS 37 N -0.24 -0.01 -0.13 1.57 3.64 0.13 1.37 116.57 122.90 1f8h h LYS 37 Ca -0.14 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 1f8h h LYS 37 Cb 1.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1f8h h LYS 37 CO 0.16 -0.01 -0.33 -1.00 -2.27 0.00 0.00 179.45 176.01 1f8h h PRO 38 N -0.01 0.25 -0.12 1.90 0.13 -1.73 0.27 132.00 132.70 1f8h h PRO 38 Ca 0.40 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 65.36 1f8h h PRO 38 Cb 0.65 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1f8h h PRO 38 CO -0.96 0.55 -0.26 0.28 -0.23 0.00 0.00 178.00 177.38 1f8h h VAL 39 N 0.22 1.24 0.00 1.56 2.07 0.16 -2.19 116.25 119.31 1f8h h VAL 39 Ca 0.03 -1.10 -0.29 0.00 0.82 0.00 0.00 66.70 66.16 1f8h h VAL 39 Cb 0.69 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1f8h h VAL 39 CO 0.05 0.33 -1.69 0.18 0.02 0.00 0.00 177.57 176.47 1f8h n LEU 40 N -4.16 0.89 0.15 2.57 4.77 0.12 -3.61 117.00 117.72 1f8h n LEU 40 Ca -0.01 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1f8h n LEU 40 Cb 0.36 0.16 0.53 0.00 -2.33 0.00 0.00 43.42 42.14 1f8h n LEU 40 CO 0.39 0.38 0.87 -0.07 -1.33 0.00 0.00 177.39 177.63 1f8h h LEU 41 N 0.00 0.00 -0.65 2.23 3.38 -0.28 -1.09 115.31 118.90 1f8h h LEU 41 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1f8h h LEU 41 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1f8h h LEU 41 CO 0.08 0.00 -0.20 -3.20 0.09 0.00 0.00 178.44 175.21 1f8h n ASN 42 N -2.35 1.21 -0.22 -0.43 5.15 -0.84 -3.89 115.26 113.88 1f8h n ASN 42 Ca 0.02 -1.08 0.01 0.00 -0.60 0.00 0.00 54.58 52.93 1f8h n ASN 42 Cb 0.23 0.11 0.02 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.39 0.54 0.00 1.20 3.41 -0.41 -4.82 113.62 113.14 1f8h n SER 43 Ca 0.14 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1f8h n SER 43 Cb 0.36 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.25 -1.69 -3.95 4.33 4.81 -1.25 -4.85 118.16 115.31 1f8h n LYS 44 Ca 0.02 0.42 -0.28 0.00 -0.87 0.00 0.00 58.31 57.60 1f8h n LYS 44 Cb 0.11 -4.73 -0.04 0.00 0.02 0.00 0.00 35.03 30.40 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 0.00 4.29 0.98 3.14 1.43 -1.26 -5.10 118.68 122.16 1f8h s LEU 45 Ca 0.00 0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1f8h s LEU 45 Cb 0.00 -2.88 0.18 0.00 0.03 0.00 0.00 46.19 43.52 1f8h s LEU 45 CO 0.00 0.09 1.15 -2.16 0.23 0.00 0.00 176.35 175.66 1f8h s PRO 46 N -2.97 0.59 0.00 1.29 0.04 -1.26 -4.79 135.00 127.89 1f8h s PRO 46 Ca 0.34 0.17 0.15 0.00 0.04 0.00 0.00 61.00 61.70 1f8h s PRO 46 Cb -0.12 -1.79 0.77 0.00 0.04 0.00 0.00 34.50 33.41 1f8h s PRO 46 CO 0.28 -2.55 1.44 0.28 0.04 0.00 0.00 177.00 176.49 1f8h n VAL 47 N -3.98 0.57 0.08 -0.36 0.31 -1.26 -2.15 118.33 111.54 1f8h n VAL 47 Ca 0.08 0.14 -0.07 0.00 -0.01 0.00 0.00 64.34 64.48 1f8h n VAL 47 Cb 0.59 -0.89 -0.06 0.00 -0.91 0.00 0.00 33.84 32.57 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 0.13 4.52 3.32 -1.97 0.43 116.42 122.96 1f8h h ASP 48 Ca 0.00 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.68 1f8h h ASP 48 Cb 0.15 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1f8h h ASP 48 CO 0.00 0.99 -1.41 0.40 -1.72 0.00 0.00 179.24 177.49 1f8h h ILE 49 N 0.03 1.07 0.00 0.35 1.08 -1.79 -3.02 117.51 115.23 1f8h h ILE 49 Ca -0.03 -2.44 -0.10 0.00 -0.39 0.00 0.00 64.86 61.90 1f8h h ILE 49 Cb 1.64 2.78 -0.01 0.00 -3.07 0.00 0.00 36.82 38.16 1f8h h ILE 49 CO 0.13 0.73 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.80 1f8h h LEU 50 N -0.23 0.00 -1.21 1.44 3.38 -1.57 2.24 115.31 119.35 1f8h h LEU 50 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1f8h h LEU 50 Cb 1.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1f8h h LEU 50 CO 0.09 0.46 -0.30 1.23 0.09 0.00 0.00 178.44 180.01 1f8h h GLY 51 N 1.59 0.00 0.00 0.83 0.00 -0.21 -1.14 103.07 104.15 1f8h h GLY 51 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1f8h h GLY 51 CO 0.06 0.00 -2.34 -2.13 0.00 0.00 0.00 176.54 172.13 1f8h n ARG 52 N -3.61 0.82 -0.00 4.80 0.63 -0.70 -3.70 116.66 114.90 1f8h n ARG 52 Ca -0.01 0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1f8h n ARG 52 Cb 0.43 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 31.93 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 0.13 5.15 2.07 0.38 -2.15 116.25 123.13 1f8h h VAL 53 Ca -0.53 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 1f8h h VAL 53 Cb 2.16 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1f8h h VAL 53 CO 0.02 0.51 -0.06 -0.25 0.02 0.00 0.00 177.57 177.80 1f8h h TRP 54 N 0.46 -0.16 -0.08 1.57 2.91 -1.40 -1.51 115.95 117.74 1f8h h TRP 54 Ca 0.03 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1f8h h TRP 54 Cb 0.94 0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.59 1f8h h TRP 54 CO 0.04 0.25 -0.28 0.93 -1.03 0.00 0.00 178.44 178.35 1f8h h GLU 55 N -0.62 -0.36 0.00 2.65 4.39 -1.62 2.84 114.58 121.85 1f8h h GLU 55 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1f8h h GLU 55 Cb 0.48 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1f8h h GLU 55 CO 0.03 -0.24 0.00 1.28 -1.16 0.00 0.00 179.01 178.92 1f8h n LEU 56 N -5.39 0.41 -0.08 1.33 4.77 -0.81 -2.21 117.00 115.02 1f8h n LEU 56 Ca -0.04 0.66 -0.20 0.00 -0.03 0.00 0.00 56.01 56.40 1f8h n LEU 56 Cb 0.30 -0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 1f8h n LEU 56 CO 0.18 -0.70 -1.13 -1.20 -1.33 0.00 0.00 177.39 173.21 1f8h n SER 57 N -2.02 2.03 -4.58 -1.43 7.64 0.30 -4.71 113.62 110.86 1f8h n SER 57 Ca 0.00 0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 1f8h n SER 57 Cb 0.08 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1f8h n SER 57 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1f8h s ASP 58 N -6.78 5.01 0.64 6.43 2.15 0.87 -4.69 116.67 120.31 1f8h s ASP 58 Ca -0.31 -1.44 0.37 0.00 0.43 0.00 0.00 52.55 51.61 1f8h s ASP 58 Cb 0.08 -2.58 2.08 0.00 -0.30 0.00 0.00 42.92 42.20 1f8h s ASP 58 CO 0.65 -3.05 2.23 0.40 -0.17 0.00 0.00 175.17 175.23 1f8h h ILE 59 N 6.42 0.16 -0.00 4.11 1.08 -1.84 0.14 117.51 127.57 1f8h h ILE 59 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1f8h h ILE 59 Cb 0.95 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1f8h h ILE 59 CO 1.22 0.00 -0.81 0.47 -0.69 0.00 0.00 178.15 178.34 1f8h n ASP 60 N -3.28 0.83 -4.22 1.72 8.00 -1.26 -4.99 116.55 113.36 1f8h n ASP 60 Ca -0.02 -0.92 -0.30 0.00 0.71 0.00 0.00 54.79 54.26 1f8h n ASP 60 Cb 0.17 0.99 -0.09 0.00 -0.02 0.00 0.00 41.12 42.17 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 -1.38 -1.17 -0.28 1.24 1.44 0.48 -4.78 115.22 110.76 1f8h n HIS 61 Ca 0.03 0.58 0.04 0.00 -2.01 0.00 0.00 57.72 56.36 1f8h n HIS 61 Cb 0.27 -2.52 0.08 0.00 0.12 0.00 0.00 29.99 27.94 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 -2.64 2.43 0.00 4.39 5.75 -1.26 -4.94 116.55 120.28 1f8h n ASP 62 Ca -0.26 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1f8h n ASP 62 Cb 0.63 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.39 0.98 3.31 6.12 0.00 -1.26 -5.01 105.19 108.95 1f8h n GLY 63 Ca 0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.59 1.06 -0.18 1.61 -1.94 -1.26 -0.81 119.30 115.19 1f8h s MET 64 Ca 0.00 -0.89 -0.03 0.00 -1.71 0.00 0.00 55.69 53.06 1f8h s MET 64 Cb 0.00 0.42 0.06 0.00 2.01 0.00 0.00 34.83 37.32 1f8h s MET 64 CO 0.00 -0.39 0.05 -0.51 -0.01 0.00 0.00 175.02 174.15 1f8h s LEU 65 N -2.86 0.99 1.01 -0.03 1.43 0.23 -4.72 118.68 114.72 1f8h s LEU 65 Ca 0.07 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1f8h s LEU 65 Cb 0.03 -0.52 0.19 0.00 0.03 0.00 0.00 46.19 45.93 1f8h s LEU 65 CO -0.08 -0.31 1.14 -0.62 0.23 0.00 0.00 176.35 176.70 1f8h s ASP 66 N 1.92 2.60 0.27 2.29 2.15 -1.26 -0.27 116.67 124.38 1f8h s ASP 66 Ca -0.00 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1f8h s ASP 66 Cb -0.17 -1.33 0.59 0.00 -0.30 0.00 0.00 42.92 41.71 1f8h s ASP 66 CO -0.08 -3.11 1.75 0.08 -0.17 0.00 0.00 175.17 173.64 1f8h h ARG 67 N -1.88 0.57 0.12 4.34 0.11 -1.95 2.13 114.38 117.82 1f8h h ARG 67 Ca -0.50 -0.03 -0.27 0.00 0.10 0.00 0.00 59.98 59.28 1f8h h ARG 67 Cb 1.31 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 32.27 1f8h h ARG 67 CO 0.52 0.38 -1.22 0.22 0.10 0.00 0.00 179.97 179.96 1f8h h ASP 68 N 0.59 0.45 0.12 0.08 3.58 -1.90 -2.93 116.42 116.40 1f8h h ASP 68 Ca 0.49 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1f8h h ASP 68 Cb 0.76 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1f8h h ASP 68 CO -0.40 1.36 -0.06 -0.08 -2.88 0.00 0.00 179.24 177.18 1f8h h GLU 69 N 0.09 -0.16 -0.45 0.28 4.81 -1.38 -2.70 114.58 115.07 1f8h h GLU 69 Ca -0.13 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1f8h h GLU 69 Cb 1.94 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.34 1f8h h GLU 69 CO 0.20 0.27 0.44 0.35 -0.73 0.00 0.00 179.01 179.54 1f8h h PHE 70 N -0.66 0.00 0.19 0.92 3.04 0.33 -0.62 116.94 120.14 1f8h h PHE 70 Ca -0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1f8h h PHE 70 Cb 0.50 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1f8h h PHE 70 CO 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 178.31 176.27 1f8h h ALA 71 N 1.54 -0.25 -0.23 2.41 0.00 -1.28 -2.13 119.26 119.32 1f8h h ALA 71 Ca 0.21 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1f8h h ALA 71 Cb 1.09 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1f8h h ALA 71 CO -0.00 -0.54 0.34 0.28 0.00 0.00 0.00 179.25 179.33 1f8h h VAL 72 N -0.45 0.28 -0.00 0.00 2.07 -1.03 0.15 116.25 117.27 1f8h h VAL 72 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1f8h h VAL 72 Cb 0.34 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1f8h h VAL 72 CO 0.04 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.27 1f8h n ALA 73 N -2.21 3.27 -0.01 1.67 0.00 -0.83 -3.18 120.51 119.22 1f8h n ALA 73 Ca 0.03 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 1f8h n ALA 73 Cb 0.46 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1f8h n ALA 73 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1f8h n MET 74 N -1.13 0.73 0.22 0.00 0.00 0.51 -3.10 117.12 114.33 1f8h n MET 74 Ca 0.09 0.32 0.13 0.00 0.00 0.00 0.00 57.70 58.23 1f8h n MET 74 Cb 0.34 -1.72 0.27 0.00 0.00 0.00 0.00 33.22 32.11 1f8h n MET 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1f8h h PHE 75 N -0.12 0.00 0.00 2.03 -5.15 -1.71 -0.49 116.94 111.51 1f8h h PHE 75 Ca -0.41 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.25 1f8h h PHE 75 Cb 1.91 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.07 1f8h h PHE 75 CO 0.08 0.00 -0.49 -0.07 -2.00 0.00 0.00 178.31 175.83 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.67 -2.74 115.31 116.38 1f8h h LEU 76 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1f8h h LEU 76 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1f8h h LEU 76 CO 0.00 0.49 -0.81 0.52 0.09 0.00 0.00 178.44 178.73 1f8h n VAL 77 N -3.40 1.46 0.33 1.22 0.31 -1.08 -3.89 118.33 113.28 1f8h n VAL 77 Ca 0.01 0.13 0.15 0.00 -0.01 0.00 0.00 64.34 64.62 1f8h n VAL 77 Cb 0.65 -2.29 0.81 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.00 0.00 0.00 3.52 0.05 -1.22 0.66 116.97 118.97 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 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1f8h h TYR 78 CO -0.16 0.00 -0.33 0.00 -1.05 0.00 0.00 178.16 176.62 1f8h n ALA 80 N -1.92 3.29 0.01 0.00 0.00 0.23 0.13 120.51 122.24 1f8h n ALA 80 Ca 0.04 -0.31 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1f8h n ALA 80 Cb 0.47 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1f8h n ALA 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1f8h h LEU 81 N 0.00 0.41 0.09 0.00 4.07 -1.51 -3.39 115.31 114.98 1f8h h LEU 81 Ca 0.00 -0.92 -0.00 0.00 0.08 0.00 0.00 57.88 57.04 1f8h h LEU 81 Cb 0.58 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1f8h h LEU 81 CO 0.00 1.82 -0.04 -0.33 -1.08 0.00 0.00 178.44 178.81 1f8h h GLU 82 N 0.07 -0.11 0.00 1.13 5.08 -1.67 -3.47 114.58 115.61 1f8h h GLU 82 Ca -0.41 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1f8h h GLU 82 Cb 2.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1f8h h GLU 82 CO 0.10 0.41 0.00 1.63 -1.00 0.00 0.00 179.01 180.15 1f8h n LYS 83 N -4.86 0.00 -2.23 2.33 5.02 -1.15 -5.11 118.16 112.16 1f8h n LYS 83 Ca -0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 1f8h n LYS 83 Cb 0.29 0.00 -0.02 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 -0.52 0.00 0.00 177.40 175.67 1f8h s GLU 84 N 0.00 3.67 0.87 1.97 2.02 0.35 -4.90 118.70 122.68 1f8h s GLU 84 Ca 0.00 1.30 -0.11 0.00 0.02 0.00 0.00 54.97 56.18 1f8h s GLU 84 Cb 0.00 -4.03 0.11 0.00 0.10 0.00 0.00 34.13 30.32 1f8h s GLU 84 CO 0.00 -1.44 1.09 -1.25 0.02 0.00 0.00 175.26 173.68 1f8h s PRO 85 N 4.82 1.47 -0.22 0.39 0.04 -1.26 -1.94 135.00 138.30 1f8h s PRO 85 Ca 0.66 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 1f8h s PRO 85 Cb -0.19 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1f8h s PRO 85 CO 0.30 -2.09 -0.05 0.08 0.04 0.00 0.00 177.00 175.27 1f8h s VAL 86 N -2.97 3.27 0.00 -0.36 1.01 -1.26 -4.86 120.40 115.23 1f8h s VAL 86 Ca 0.63 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1f8h s VAL 86 Cb -0.17 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1f8h s VAL 86 CO 0.56 0.42 0.00 -0.81 0.00 0.00 0.00 175.10 175.28 1f8h n PRO 87 N 4.78 1.16 -0.00 2.72 -0.04 -1.26 -4.96 135.00 137.40 1f8h n PRO 87 Ca -0.18 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.29 1f8h n PRO 87 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1f8h n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f8h n MET 88 N -0.24 -0.44 -3.63 0.54 0.00 -1.26 -4.79 117.12 107.30 1f8h n MET 88 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 57.70 56.57 1f8h n MET 88 Cb 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 33.22 32.05 1f8h n MET 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1f8h s SER 89 N -0.31 5.57 -0.34 3.17 0.01 -1.26 -4.85 113.70 115.68 1f8h s SER 89 Ca 0.04 -1.71 -0.28 0.00 1.31 0.00 0.00 55.95 55.31 1f8h s SER 89 Cb 0.03 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1f8h s SER 89 CO 0.04 -0.58 1.88 -0.22 0.41 0.00 0.00 173.24 174.78 1f8h s LEU 90 N 1.35 3.47 0.63 2.44 2.96 -1.26 -4.93 118.68 123.34 1f8h s LEU 90 Ca 0.04 1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 55.07 1f8h s LEU 90 Cb -0.24 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 1f8h s LEU 90 CO -0.00 -1.85 1.21 -2.16 -1.32 0.00 0.00 176.35 172.23 1f8h s PRO 91 N 5.97 2.75 0.00 0.98 0.04 -1.26 -4.88 135.00 138.60 1f8h s PRO 91 Ca 0.82 1.81 0.13 0.00 0.04 0.00 0.00 61.00 63.80 1f8h s PRO 91 Cb -0.23 -1.90 0.67 0.00 0.04 0.00 0.00 34.50 33.08 1f8h s PRO 91 CO 0.32 -1.37 1.33 -0.35 0.04 0.00 0.00 177.00 176.97 1f8h n PRO 92 N -1.90 0.19 0.00 0.56 -0.04 -1.26 -2.10 135.00 130.46 1f8h n PRO 92 Ca 0.14 0.16 0.16 0.00 -0.04 0.00 0.00 63.50 63.91 1f8h n PRO 92 Cb 0.50 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.34 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 -1.27 2.63 -2.62 0.55 0.00 -1.26 -3.71 120.51 114.82 1f8h n ALA 93 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1f8h n ALA 93 Cb 0.10 -1.50 0.05 0.00 0.00 0.00 0.00 19.45 18.09 1f8h n ALA 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1f8h n LEU 94 N -1.07 0.40 -4.06 0.00 -0.00 -0.89 0.55 117.00 111.94 1f8h n LEU 94 Ca 0.21 -2.72 -0.21 0.00 -0.00 0.00 0.00 56.01 53.29 1f8h n LEU 94 Cb 0.15 0.22 -0.15 0.00 -0.00 0.00 0.00 43.42 43.65 1f8h n LEU 94 CO 0.20 1.14 -0.45 0.54 -0.00 0.00 0.00 177.39 178.81 1f8h s VAL 95 N -1.56 0.92 0.85 1.47 0.11 -1.24 -4.90 120.40 116.04 1f8h s VAL 95 Ca 0.21 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.66 1f8h s VAL 95 Cb 0.33 -0.78 0.10 0.00 -1.53 0.00 0.00 36.38 34.50 1f8h s VAL 95 CO -0.08 0.27 1.10 -2.16 -3.33 0.00 0.00 175.10 170.89 1f8h s PRO 96 N -0.15 1.61 0.60 1.54 0.04 -1.26 -4.99 135.00 132.38 1f8h s PRO 96 Ca 0.02 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 1f8h s PRO 96 Cb -0.06 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.77 1f8h s PRO 96 CO -0.00 -1.95 0.54 -0.35 0.04 0.00 0.00 177.00 175.28 1f8h n PRO 97 N -3.66 -1.97 0.00 0.56 -0.04 -1.26 -3.97 135.00 124.66 1f8h n PRO 97 Ca 0.07 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1f8h n PRO 97 Cb 0.56 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1f8h n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1f8h n SER 98 N -3.89 0.00 -0.49 3.54 7.64 -1.26 -4.49 113.62 114.67 1f8h n SER 98 Ca 0.07 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.04 1f8h n SER 98 Cb 0.29 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 63.82 1f8h n SER 98 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1f8h n LYS 99 N 0.00 1.64 0.00 1.43 4.81 -1.26 -5.26 118.16 119.53 1f8h n LYS 99 Ca 0.00 -0.97 0.15 0.00 -0.87 0.00 0.00 58.31 56.61 1f8h n LYS 99 Cb 0.00 -1.34 0.64 0.00 0.02 0.00 0.00 35.03 34.34 1f8h n LYS 99 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11