#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 2.05 -0.47 0.54 -0.00 -1.26 -4.72 117.44 113.58 1f8h n TRP 7 Ca 0.00 0.35 0.41 0.00 -0.00 0.00 0.00 57.50 58.26 1f8h n TRP 7 Cb 0.00 -2.50 0.63 0.00 -0.00 0.00 0.00 31.31 29.44 1f8h n TRP 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f8h n ALA 8 N 4.62 1.46 -2.72 5.87 0.00 1.05 -4.10 120.51 126.70 1f8h n ALA 8 Ca 0.21 0.50 -0.35 0.00 0.00 0.00 0.00 53.44 53.81 1f8h n ALA 8 Cb 0.22 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 -4.64 4.24 0.64 0.00 1.01 -1.26 -5.07 120.40 115.32 1f8h s VAL 9 Ca -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1f8h s VAL 9 Cb 0.21 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.92 1f8h s VAL 9 CO 0.69 0.58 0.87 0.29 0.00 0.00 0.00 175.10 177.53 1f8h n LYS 10 N 2.41 -0.18 0.00 2.72 5.02 -1.26 -4.86 118.16 122.02 1f8h n LYS 10 Ca -0.18 -2.15 -0.09 0.00 -2.02 0.00 0.00 58.31 53.86 1f8h n LYS 10 Cb 0.53 -0.65 0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 0.56 0.00 1.97 0.13 -1.98 -0.80 132.00 131.88 1f8h h PRO 11 Ca -0.29 -0.35 -0.06 0.00 -0.87 0.00 0.00 66.00 64.43 1f8h h PRO 11 Cb 1.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1f8h h PRO 11 CO 0.29 0.96 -0.31 1.05 -0.23 0.00 0.00 178.00 179.76 1f8h h GLU 12 N 0.43 0.00 0.21 0.86 4.11 -1.98 -0.13 114.58 118.07 1f8h h GLU 12 Ca 0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.10 1f8h h GLU 12 Cb 1.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.36 1f8h h GLU 12 CO 0.10 0.31 -1.62 -0.44 0.07 0.00 0.00 179.01 177.43 1f8h h ASP 13 N 0.00 0.70 1.35 3.06 3.32 -1.88 -3.14 116.42 119.83 1f8h h ASP 13 Ca -0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 57.03 56.09 1f8h h ASP 13 Cb 0.92 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1f8h h ASP 13 CO 0.04 1.75 -0.11 0.50 -1.72 0.00 0.00 179.24 179.70 1f8h h LYS 14 N 0.10 0.00 -0.23 3.56 1.63 -1.11 -2.17 116.57 118.34 1f8h h LYS 14 Ca -0.31 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.32 1f8h h LYS 14 Cb 2.11 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.74 1f8h h LYS 14 CO 0.21 0.11 -0.57 0.00 -3.45 0.00 0.00 179.45 175.76 1f8h h ALA 15 N 1.89 0.57 0.00 5.00 0.00 -1.06 0.11 119.26 125.76 1f8h h ALA 15 Ca -0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1f8h h ALA 15 Cb 0.82 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1f8h h ALA 15 CO 0.01 0.69 -0.85 1.57 0.00 0.00 0.00 179.25 180.67 1f8h h LYS 16 N 0.55 0.00 -0.24 0.00 2.10 -1.47 -2.93 116.57 114.57 1f8h h LYS 16 Ca 0.01 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.49 1f8h h LYS 16 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1f8h h LYS 16 CO 0.12 0.85 -0.53 1.88 -2.00 0.00 0.00 179.45 179.76 1f8h h TYR 17 N 0.00 0.86 0.00 0.07 0.05 -1.22 -2.50 116.97 114.23 1f8h h TYR 17 Ca -0.01 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1f8h h TYR 17 Cb 1.56 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 39.14 1f8h h TYR 17 CO 0.00 1.07 0.00 0.22 -1.05 0.00 0.00 178.16 178.40 1f8h h ASP 18 N 0.53 0.00 0.43 3.88 3.58 -0.73 0.36 116.42 124.47 1f8h h ASP 18 Ca 0.01 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.16 1f8h h ASP 18 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1f8h h ASP 18 CO 0.11 0.00 -1.49 0.00 -2.88 0.00 0.00 179.24 174.97 1f8h h ALA 19 N 2.09 0.16 0.07 -0.78 0.00 -1.28 -1.68 119.26 117.85 1f8h h ALA 19 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 54.91 53.63 1f8h h ALA 19 Cb 0.43 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1f8h h ALA 19 CO 0.00 1.03 -1.11 0.82 0.00 0.00 0.00 179.25 179.99 1f8h h ILE 20 N 0.09 1.48 -0.35 0.00 2.04 -1.05 -1.00 117.51 118.72 1f8h h ILE 20 Ca -0.24 -2.85 -0.11 0.00 1.00 0.00 0.00 64.86 62.66 1f8h h ILE 20 Cb 2.04 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 40.85 1f8h h ILE 20 CO 0.19 0.84 -0.25 0.15 0.00 0.00 0.00 178.15 179.08 1f8h h PHE 21 N 0.12 0.79 -0.01 1.37 3.04 -0.37 -2.36 116.94 119.53 1f8h h PHE 21 Ca -0.10 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1f8h h PHE 21 Cb 1.80 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 40.12 1f8h h PHE 21 CO 0.06 0.88 -0.12 -3.47 -2.02 0.00 0.00 178.31 173.64 1f8h n ASP 22 N -4.11 0.89 -0.06 0.41 2.03 -0.63 -3.46 116.55 111.63 1f8h n ASP 22 Ca -0.00 -0.97 0.13 0.00 0.52 0.00 0.00 54.79 54.47 1f8h n ASP 22 Cb 0.44 0.02 0.45 0.00 -0.72 0.00 0.00 41.12 41.31 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 -0.54 0.43 -0.01 1.67 7.64 -0.38 -3.38 113.62 119.05 1f8h n SER 23 Ca 0.16 -0.23 0.09 0.00 1.01 0.00 0.00 58.87 59.90 1f8h n SER 23 Cb 0.31 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.26 0.39 -0.90 -3.43 4.77 -1.22 -5.04 117.00 110.31 1f8h n LEU 24 Ca 0.09 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1f8h n LEU 24 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1f8h n LEU 24 CO 0.29 0.10 0.00 -1.20 -1.33 0.00 0.00 177.39 175.25 1f8h n SER 25 N -1.86 -1.20 -4.80 -1.43 7.64 -1.22 -5.05 113.62 105.70 1f8h n SER 25 Ca -0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1f8h n SER 25 Cb 0.41 -0.60 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.11 3.82 -0.28 1.43 0.04 -1.26 -4.91 135.00 133.73 1f8h s PRO 26 Ca 0.00 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 1f8h s PRO 26 Cb 0.00 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1f8h s PRO 26 CO 0.00 -0.40 -0.03 0.08 0.04 0.00 0.00 177.00 176.68 1f8h s VAL 27 N -2.10 2.77 -0.62 -0.36 1.01 -0.48 -4.50 120.40 116.12 1f8h s VAL 27 Ca 0.66 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1f8h s VAL 27 Cb -0.15 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1f8h s VAL 27 CO 0.21 -0.06 0.00 -3.20 0.00 0.00 0.00 175.10 172.06 1f8h n ASN 28 N 4.58 -5.06 -0.04 3.32 5.15 -1.26 -1.81 115.26 120.14 1f8h n ASN 28 Ca -0.14 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1f8h n ASN 28 Cb 0.43 -3.07 0.00 0.00 -0.53 0.00 0.00 39.78 36.62 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 -0.47 1.35 2.87 8.20 0.00 -1.26 -5.04 105.19 110.84 1f8h n GLY 29 Ca -0.06 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.08 0.25 0.10 1.61 0.08 -0.75 -2.74 117.98 114.45 1f8h s PHE 30 Ca 0.00 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.07 1f8h s PHE 30 Cb 0.00 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.17 1f8h s PHE 30 CO 0.00 -0.05 0.05 -0.51 -0.10 0.00 0.00 175.22 174.61 1f8h s LEU 31 N 0.35 3.65 0.02 -0.37 1.43 -0.08 -1.38 118.68 122.30 1f8h s LEU 31 Ca -0.03 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1f8h s LEU 31 Cb -0.06 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1f8h s LEU 31 CO -0.01 0.15 0.18 -0.94 0.23 0.00 0.00 176.35 175.97 1f8h s SER 32 N -2.50 6.28 0.61 2.29 1.04 -1.26 0.18 113.70 120.34 1f8h s SER 32 Ca 0.28 0.29 0.27 0.00 0.48 0.00 0.00 55.95 57.26 1f8h s SER 32 Cb -0.12 -1.93 1.10 0.00 0.10 0.00 0.00 66.02 65.17 1f8h s SER 32 CO 0.21 0.22 1.51 1.23 0.98 0.00 0.00 173.24 177.39 1f8h h GLY 33 N 3.52 0.00 2.00 7.32 0.00 -0.97 2.12 103.07 117.06 1f8h h GLY 33 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1f8h h GLY 33 CO 0.71 0.00 -0.09 -0.55 0.00 0.00 0.00 176.54 176.61 1f8h h ASP 34 N 0.00 0.00 0.00 0.19 3.32 -1.92 1.08 116.42 119.09 1f8h h ASP 34 Ca 0.37 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.07 1f8h h ASP 34 Cb 2.27 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.75 1f8h h ASP 34 CO -0.00 0.09 -2.32 0.29 -1.72 0.00 0.00 179.24 175.58 1f8h n LYS 35 N -3.32 0.79 0.09 3.56 5.02 0.71 -4.41 118.16 120.59 1f8h n LYS 35 Ca -0.01 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.18 1f8h n LYS 35 Cb 0.28 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.43 -0.67 -0.18 2.07 -1.23 -3.15 116.25 114.52 1f8h h VAL 36 Ca -0.52 -2.74 0.12 0.00 0.82 0.00 0.00 66.70 64.38 1f8h h VAL 36 Cb 2.00 2.72 -0.12 0.00 -1.52 0.00 0.00 31.29 34.37 1f8h h VAL 36 CO -0.02 0.81 -0.33 0.50 0.02 0.00 0.00 177.57 178.54 1f8h h LYS 37 N 0.16 -0.12 -0.02 1.57 3.64 0.10 0.47 116.57 122.37 1f8h h LYS 37 Ca -0.13 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 1f8h h LYS 37 Cb 1.83 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1f8h h LYS 37 CO 0.20 -0.08 -0.42 -1.00 -2.27 0.00 0.00 179.45 175.88 1f8h h PRO 38 N -0.13 0.03 0.00 1.90 0.13 -1.78 -0.97 132.00 131.19 1f8h h PRO 38 Ca 0.26 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.33 1f8h h PRO 38 Cb 0.56 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1f8h h PRO 38 CO -0.74 0.45 -0.21 0.28 -0.23 0.00 0.00 178.00 177.56 1f8h h VAL 39 N 0.03 0.99 0.00 1.56 2.07 -0.13 -2.47 116.25 118.31 1f8h h VAL 39 Ca -0.00 -0.75 -0.33 0.00 0.82 0.00 0.00 66.70 66.44 1f8h h VAL 39 Cb 0.76 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1f8h h VAL 39 CO 0.06 0.20 -2.02 0.18 0.02 0.00 0.00 177.57 176.01 1f8h n LEU 40 N -4.06 0.59 0.00 2.57 4.77 0.07 -3.81 117.00 117.13 1f8h n LEU 40 Ca -0.02 0.22 0.06 0.00 -0.03 0.00 0.00 56.01 56.25 1f8h n LEU 40 Cb 0.28 0.26 0.29 0.00 -2.33 0.00 0.00 43.42 41.91 1f8h n LEU 40 CO 0.35 0.46 0.71 0.18 -1.33 0.00 0.00 177.39 177.76 1f8h n LEU 41 N -2.94 0.00 -0.14 2.23 4.77 -0.41 -1.56 117.00 118.95 1f8h n LEU 41 Ca -0.25 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1f8h n LEU 41 Cb 1.10 -0.50 0.43 0.00 -2.33 0.00 0.00 43.42 42.12 1f8h n LEU 41 CO 0.44 -0.27 0.70 -3.20 -1.33 0.00 0.00 177.39 173.72 1f8h n ASN 42 N -1.50 0.69 -0.76 -1.43 5.15 -0.95 -3.75 115.26 112.71 1f8h n ASN 42 Ca 0.03 -0.58 0.02 0.00 -0.60 0.00 0.00 54.58 53.45 1f8h n ASN 42 Cb 0.16 0.06 0.10 0.00 -0.53 0.00 0.00 39.78 39.56 1f8h n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1f8h n SER 43 N -0.96 1.99 -1.32 1.20 7.64 -0.60 -4.82 113.62 116.74 1f8h n SER 43 Ca 0.11 -2.19 -0.13 0.00 1.01 0.00 0.00 58.87 57.67 1f8h n SER 43 Cb 0.32 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.99 1f8h n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1f8h n LYS 44 N 0.14 -1.36 -3.96 1.43 5.02 -1.25 -4.82 118.16 113.37 1f8h n LYS 44 Ca 0.07 0.80 -0.26 0.00 -2.02 0.00 0.00 58.31 56.90 1f8h n LYS 44 Cb 0.43 -5.03 -0.03 0.00 -0.02 0.00 0.00 35.03 30.38 1f8h n LYS 44 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1f8h s LEU 45 N -3.61 4.29 0.75 -0.35 1.43 -1.26 -5.09 118.68 114.84 1f8h s LEU 45 Ca 0.00 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1f8h s LEU 45 Cb 0.00 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.40 1f8h s LEU 45 CO 0.00 0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.54 1f8h s PRO 46 N -3.28 2.51 0.00 1.29 0.04 -1.26 -4.83 135.00 129.47 1f8h s PRO 46 Ca 0.34 0.79 0.11 0.00 0.04 0.00 0.00 61.00 62.28 1f8h s PRO 46 Cb -0.11 -1.96 0.54 0.00 0.04 0.00 0.00 34.50 33.02 1f8h s PRO 46 CO 0.28 -1.36 1.26 0.28 0.04 0.00 0.00 177.00 177.50 1f8h n VAL 47 N -3.28 0.79 0.10 -0.36 0.31 -1.26 -1.63 118.33 113.01 1f8h n VAL 47 Ca 0.07 0.20 -0.05 0.00 -0.01 0.00 0.00 64.34 64.55 1f8h n VAL 47 Cb 0.55 -1.02 0.05 0.00 -0.91 0.00 0.00 33.84 32.52 1f8h n VAL 47 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1f8h h ASP 48 N 0.00 0.12 0.17 4.52 3.58 -1.97 0.44 116.42 123.26 1f8h h ASP 48 Ca 0.00 -0.09 -0.25 0.00 0.42 0.00 0.00 57.03 57.12 1f8h h ASP 48 Cb 0.11 -0.04 0.02 0.00 1.72 0.00 0.00 39.33 41.15 1f8h h ASP 48 CO 0.00 0.84 -1.13 0.40 -2.88 0.00 0.00 179.24 176.46 1f8h h ILE 49 N 0.06 1.34 -0.12 2.25 1.08 -1.67 -3.07 117.51 117.38 1f8h h ILE 49 Ca -0.02 -2.55 -0.10 0.00 -0.39 0.00 0.00 64.86 61.80 1f8h h ILE 49 Cb 1.35 3.05 -0.01 0.00 -3.07 0.00 0.00 36.82 38.14 1f8h h ILE 49 CO 0.11 0.74 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.85 1f8h h LEU 50 N -0.22 0.26 -1.53 1.44 3.38 -1.53 2.49 115.31 119.60 1f8h h LEU 50 Ca -0.21 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1f8h h LEU 50 Cb 1.81 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1f8h h LEU 50 CO 0.16 0.63 -0.16 1.23 0.09 0.00 0.00 178.44 180.40 1f8h h GLY 51 N 1.18 0.00 0.00 0.83 0.00 -0.19 0.07 103.07 104.97 1f8h h GLY 51 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.01 1f8h h GLY 51 CO 0.06 0.00 -2.29 -2.13 0.00 0.00 0.00 176.54 172.18 1f8h n ARG 52 N -3.46 0.88 -0.10 4.80 0.63 -0.71 -3.81 116.66 114.89 1f8h n ARG 52 Ca -0.01 0.03 -0.14 0.00 -0.92 0.00 0.00 57.85 56.81 1f8h n ARG 52 Cb 0.33 -1.48 -0.03 0.00 0.45 0.00 0.00 32.46 31.73 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 1.27 0.07 5.15 2.07 0.44 -3.00 116.25 122.25 1f8h h VAL 53 Ca -0.51 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 65.38 1f8h h VAL 53 Cb 2.07 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1f8h h VAL 53 CO 0.00 0.54 -0.03 -0.25 0.02 0.00 0.00 177.57 177.84 1f8h h TRP 54 N 0.70 -0.09 -0.39 1.57 2.91 -1.16 -1.28 115.95 118.22 1f8h h TRP 54 Ca 0.04 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.13 1f8h h TRP 54 Cb 1.05 0.03 -0.09 0.00 -0.51 0.00 0.00 29.16 29.64 1f8h h TRP 54 CO 0.07 0.11 -0.43 0.93 -1.03 0.00 0.00 178.44 178.09 1f8h h GLU 55 N -0.28 -0.33 0.00 2.65 5.08 -1.65 2.74 114.58 122.80 1f8h h GLU 55 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1f8h h GLU 55 Cb 0.24 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1f8h h GLU 55 CO 0.02 -0.22 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 1f8h n LEU 56 N -5.41 0.42 0.02 1.33 4.77 -1.14 -1.53 117.00 115.46 1f8h n LEU 56 Ca -0.01 0.65 -0.22 0.00 -0.03 0.00 0.00 56.01 56.40 1f8h n LEU 56 Cb 0.35 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.65 1f8h n LEU 56 CO 0.04 -0.65 -0.69 0.77 -1.33 0.00 0.00 177.39 175.54 1f8h h SER 57 N 0.00 0.46 -1.77 -1.43 4.64 0.42 -3.43 113.55 112.44 1f8h h SER 57 Ca 0.00 -0.92 -0.57 0.00 -0.47 0.00 0.00 61.79 59.83 1f8h h SER 57 Cb 0.15 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1f8h h SER 57 CO 0.00 1.81 1.27 -0.62 -0.87 0.00 0.00 176.83 178.41 1f8h s ASP 58 N -7.11 6.32 0.07 4.97 2.15 0.77 -4.62 116.67 119.22 1f8h s ASP 58 Ca -0.21 -0.93 0.24 0.00 0.43 0.00 0.00 52.55 52.09 1f8h s ASP 58 Cb 0.06 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 40.51 1f8h s ASP 58 CO 0.79 -1.68 1.34 -0.38 -0.17 0.00 0.00 175.17 175.06 1f8h n ILE 59 N 6.62 0.21 0.69 4.11 5.41 -1.26 -3.66 119.36 131.47 1f8h n ILE 59 Ca 0.17 -0.17 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1f8h n ILE 59 Cb 0.50 0.03 -0.13 0.00 -0.71 0.00 0.00 39.64 39.33 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 -1.87 0.68 -3.67 4.38 8.00 -1.26 -4.99 116.55 117.82 1f8h n ASP 60 Ca 0.04 -0.67 -0.22 0.00 0.71 0.00 0.00 54.79 54.65 1f8h n ASP 60 Cb 0.40 1.28 0.05 0.00 -0.02 0.00 0.00 41.12 42.83 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 -1.74 -2.12 -1.86 1.24 8.25 -1.24 -4.89 115.22 112.86 1f8h n HIS 61 Ca 0.02 0.89 0.05 0.00 -0.26 0.00 0.00 57.72 58.42 1f8h n HIS 61 Cb 0.40 -4.52 0.15 0.00 1.12 0.00 0.00 29.99 27.14 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 -3.03 1.50 -3.43 0.41 5.75 -1.26 -4.95 116.55 111.54 1f8h n ASP 62 Ca -0.21 -3.31 -0.24 0.00 -0.01 0.00 0.00 54.79 51.02 1f8h n ASP 62 Cb 0.64 -0.46 0.06 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.64 -0.54 3.28 6.12 0.00 -1.26 -4.91 105.19 107.24 1f8h n GLY 63 Ca 0.15 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -6.14 1.00 -0.23 1.61 -1.94 -1.26 -0.27 119.30 112.06 1f8h s MET 64 Ca 0.50 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1f8h s MET 64 Cb -0.22 0.41 0.07 0.00 2.01 0.00 0.00 34.83 37.09 1f8h s MET 64 CO 0.62 -0.36 0.01 -0.51 -0.01 0.00 0.00 175.02 174.77 1f8h s LEU 65 N -2.85 2.07 0.73 -0.03 1.43 0.49 -4.63 118.68 115.90 1f8h s LEU 65 Ca 0.06 -1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 1f8h s LEU 65 Cb 0.03 -0.92 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1f8h s LEU 65 CO -0.10 -0.29 1.10 -1.81 0.23 0.00 0.00 176.35 175.48 1f8h s ASP 66 N 1.59 4.69 0.34 2.29 1.01 -1.26 -0.90 116.67 124.42 1f8h s ASP 66 Ca -0.01 1.91 0.12 0.00 0.71 0.00 0.00 52.55 55.28 1f8h s ASP 66 Cb -0.18 -2.53 1.06 0.00 1.01 0.00 0.00 42.92 42.28 1f8h s ASP 66 CO -0.10 -1.91 1.60 0.08 0.21 0.00 0.00 175.17 175.05 1f8h h ARG 67 N -0.70 0.08 -0.10 8.23 0.11 -1.90 1.69 114.38 121.78 1f8h h ARG 67 Ca -0.45 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.49 1f8h h ARG 67 Cb 1.24 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 32.31 1f8h h ARG 67 CO 0.52 0.05 -0.47 0.38 0.10 0.00 0.00 179.97 180.55 1f8h h ASP 68 N 0.08 0.59 0.11 0.08 3.04 -1.89 -2.82 116.42 115.61 1f8h h ASP 68 Ca 0.72 -0.64 -0.01 0.00 -3.24 0.00 0.00 57.03 53.87 1f8h h ASP 68 Cb 1.73 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.85 1f8h h ASP 68 CO -0.78 1.13 -0.06 -0.33 -2.04 0.00 0.00 179.24 177.17 1f8h h GLU 69 N 0.09 -0.15 -0.90 4.15 5.08 0.07 -1.86 114.58 121.06 1f8h h GLU 69 Ca -0.03 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.60 1f8h h GLU 69 Cb 1.11 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1f8h h GLU 69 CO 0.10 0.11 0.72 0.35 -1.00 0.00 0.00 179.01 179.28 1f8h h PHE 70 N -0.39 0.00 -0.32 4.33 3.04 0.21 0.27 116.94 124.08 1f8h h PHE 70 Ca -0.02 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1f8h h PHE 70 Cb 0.32 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1f8h h PHE 70 CO 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 178.31 176.31 1f8h h ALA 71 N 1.41 0.42 0.00 2.41 0.00 -1.07 -2.28 119.26 120.15 1f8h h ALA 71 Ca 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1f8h h ALA 71 Cb 1.85 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1f8h h ALA 71 CO -0.00 0.15 -0.01 0.28 0.00 0.00 0.00 179.25 179.67 1f8h h VAL 72 N 0.35 0.04 -0.00 0.00 2.07 -0.35 -1.17 116.25 117.19 1f8h h VAL 72 Ca 0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1f8h h VAL 72 Cb 0.41 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1f8h h VAL 72 CO 0.01 0.01 -0.33 0.00 0.02 0.00 0.00 177.57 177.28 1f8h n ALA 73 N -2.10 3.21 -0.05 1.67 0.00 -0.88 -3.13 120.51 119.23 1f8h n ALA 73 Ca -0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 1f8h n ALA 73 Cb 0.16 -1.14 -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 -1.33 0.00 0.00 0.00 177.50 176.17 1f8h n MET 74 N -0.94 0.66 0.16 0.00 0.00 -0.45 -3.17 117.12 113.39 1f8h n MET 74 Ca 0.10 0.41 0.03 0.00 0.00 0.00 0.00 57.70 58.24 1f8h n MET 74 Cb 0.34 -1.72 0.19 0.00 0.00 0.00 0.00 33.22 32.03 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 -0.46 0.00 0.00 2.03 -5.15 -1.72 0.16 116.94 111.81 1f8h h PHE 75 Ca -0.40 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.30 1f8h h PHE 75 Cb 1.68 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.84 1f8h h PHE 75 CO 0.08 0.49 -0.32 -0.07 -2.00 0.00 0.00 178.31 176.49 1f8h h LEU 76 N 0.00 0.00 0.00 2.10 3.38 -1.69 -1.66 115.31 117.45 1f8h h LEU 76 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1f8h h LEU 76 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1f8h h LEU 76 CO 0.06 0.32 -0.56 0.52 0.09 0.00 0.00 178.44 178.88 1f8h n VAL 77 N -3.94 1.42 0.14 1.22 0.31 -1.01 -3.86 118.33 112.61 1f8h n VAL 77 Ca -0.02 0.21 0.17 0.00 -0.01 0.00 0.00 64.34 64.70 1f8h n VAL 77 Cb 0.39 -2.39 0.59 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.76 1.07 116.97 119.85 1f8h h TYR 78 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1f8h h TYR 78 Cb 0.56 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 1f8h h TYR 78 CO -0.23 0.00 -0.33 0.00 -1.05 0.00 0.00 178.16 176.55 1f8h n ALA 80 N -2.14 2.53 -0.07 0.00 0.00 0.37 0.28 120.51 121.48 1f8h n ALA 80 Ca 0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1f8h n ALA 80 Cb 0.55 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.86 2.18 0.26 0.00 4.32 -1.14 -4.52 117.00 116.24 1f8h n LEU 81 Ca 0.06 0.32 -0.11 0.00 -0.02 0.00 0.00 56.01 56.26 1f8h n LEU 81 Cb 0.39 -1.02 -0.05 0.00 -1.62 0.00 0.00 43.42 41.11 1f8h n LEU 81 CO 0.30 0.53 0.30 -0.08 -1.22 0.00 0.00 177.39 177.22 1f8h h GLU 82 N -0.57 -0.69 0.00 3.23 4.57 -1.65 -3.46 114.58 116.01 1f8h h GLU 82 Ca -0.40 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1f8h h GLU 82 Cb 1.61 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 1f8h h GLU 82 CO -0.11 -0.44 0.00 1.17 -1.18 0.00 0.00 179.01 178.45 1f8h n LYS 83 N -5.25 0.00 -3.48 1.92 4.81 -1.10 -5.13 118.16 109.93 1f8h n LYS 83 Ca -0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.21 1f8h n LYS 83 Cb 0.29 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.22 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 0.24 1.20 1.64 0.41 0.78 -4.97 118.70 117.99 1f8h s GLU 84 Ca 0.00 0.43 -0.19 0.00 -0.41 0.00 0.00 54.97 54.80 1f8h s GLU 84 Cb 0.00 -0.72 0.28 0.00 -1.78 0.00 0.00 34.13 31.91 1f8h s GLU 84 CO 0.00 -0.57 1.10 -1.25 -0.49 0.00 0.00 175.26 174.05 1f8h s PRO 85 N 2.42 -1.18 -0.11 0.39 0.04 -1.26 -1.87 135.00 133.43 1f8h s PRO 85 Ca 0.07 0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.14 1f8h s PRO 85 Cb -0.15 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1f8h s PRO 85 CO -0.13 -3.69 -0.16 0.08 0.04 0.00 0.00 177.00 173.13 1f8h s VAL 86 N -2.96 1.58 0.55 -0.36 1.01 -1.26 -4.83 120.40 114.14 1f8h s VAL 86 Ca 0.70 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1f8h s VAL 86 Cb -0.11 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 1f8h s VAL 86 CO 0.56 0.46 0.84 -2.16 0.00 0.00 0.00 175.10 174.80 1f8h s PRO 87 N 0.91 3.04 -0.11 2.72 0.04 -1.26 -4.94 135.00 135.39 1f8h s PRO 87 Ca -0.08 -0.07 0.12 0.00 0.04 0.00 0.00 61.00 61.01 1f8h s PRO 87 Cb -0.15 -2.34 0.53 0.00 0.04 0.00 0.00 34.50 32.58 1f8h s PRO 87 CO -0.01 -0.55 1.37 -1.33 0.04 0.00 0.00 177.00 176.53 1f8h n MET 88 N -2.44 3.22 -3.73 4.56 2.81 -1.26 -4.79 117.12 115.49 1f8h n MET 88 Ca 0.03 -2.09 -0.38 0.00 -1.81 0.00 0.00 57.70 53.46 1f8h n MET 88 Cb 0.57 -1.83 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 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 -0.69 5.35 -0.29 7.83 0.01 -1.26 -4.94 113.70 119.71 1f8h s SER 89 Ca 0.37 -1.61 -0.28 0.00 1.31 0.00 0.00 55.95 55.75 1f8h s SER 89 Cb 0.25 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 1f8h s SER 89 CO 0.15 -0.47 2.23 -0.22 0.41 0.00 0.00 173.24 175.34 1f8h s LEU 90 N 1.30 3.43 0.49 2.44 0.20 -1.26 -4.92 118.68 120.35 1f8h s LEU 90 Ca 0.03 1.67 -0.22 0.00 0.69 0.00 0.00 54.13 56.30 1f8h s LEU 90 Cb -0.22 -3.30 -0.07 0.00 -0.43 0.00 0.00 46.19 42.17 1f8h s LEU 90 CO -0.01 -2.15 1.15 -2.16 -0.29 0.00 0.00 176.35 172.89 1f8h s PRO 91 N 6.72 3.63 0.14 0.98 0.04 -1.26 -4.89 135.00 140.36 1f8h s PRO 91 Ca 0.98 1.70 0.18 0.00 0.04 0.00 0.00 61.00 63.91 1f8h s PRO 91 Cb -0.29 -2.26 0.79 0.00 0.04 0.00 0.00 34.50 32.77 1f8h s PRO 91 CO 0.33 -0.64 1.56 -0.35 0.04 0.00 0.00 177.00 177.94 1f8h n PRO 92 N -0.77 0.10 -0.29 0.56 -0.04 -1.26 -1.69 135.00 131.62 1f8h n PRO 92 Ca 0.09 0.37 0.03 0.00 -0.04 0.00 0.00 63.50 63.95 1f8h n PRO 92 Cb 0.49 -1.70 0.15 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.65 2.87 0.22 0.55 0.00 -1.26 -3.45 120.51 117.79 1f8h n ALA 93 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 53.44 52.82 1f8h n ALA 93 Cb 0.18 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 0.27 0.73 -4.66 0.00 7.94 -0.68 0.34 117.00 120.94 1f8h n LEU 94 Ca 0.10 -0.71 -0.37 0.00 -1.11 0.00 0.00 56.01 53.92 1f8h n LEU 94 Cb 0.51 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.37 1f8h n LEU 94 CO 0.11 0.16 -0.07 -0.69 -1.11 0.00 0.00 177.39 175.79 1f8h s VAL 95 N -1.01 5.30 0.96 1.96 1.01 -1.22 -4.85 120.40 122.54 1f8h s VAL 95 Ca 0.04 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 1f8h s VAL 95 Cb 0.04 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 33.01 1f8h s VAL 95 CO 0.14 0.30 1.24 -2.16 0.00 0.00 0.00 175.10 174.62 1f8h s PRO 96 N 1.20 0.71 0.00 2.72 0.04 -1.26 -4.91 135.00 133.50 1f8h s PRO 96 Ca 0.12 -0.15 0.19 0.00 0.04 0.00 0.00 61.00 61.19 1f8h s PRO 96 Cb -0.14 -1.83 1.08 0.00 0.04 0.00 0.00 34.50 33.65 1f8h s PRO 96 CO 0.06 -2.40 1.55 -0.35 0.04 0.00 0.00 177.00 175.90 1f8h n PRO 97 N -3.82 0.49 0.09 0.56 -0.04 -1.26 -2.75 135.00 128.27 1f8h n PRO 97 Ca 0.12 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1f8h n PRO 97 Cb 0.60 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 1f8h n PRO 97 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1f8h h SER 98 N 0.00 0.33 -0.34 3.54 0.87 -2.03 -3.15 113.55 112.77 1f8h h SER 98 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1f8h h SER 98 Cb 0.06 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1f8h h SER 98 CO 0.00 1.29 0.00 0.29 -0.53 0.00 0.00 176.83 177.88 1f8h n LYS 99 N -3.47 1.87 0.00 2.24 4.76 -1.11 -5.22 118.16 117.23 1f8h n LYS 99 Ca -0.08 -1.27 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 1f8h n LYS 99 Cb 1.01 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 1f8h n LYS 99 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92