#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n VAL 3 N 0.00 -5.37 -3.68 1.55 0.31 -1.26 -4.99 118.33 104.89 3i9c n VAL 3 Ca 0.00 1.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.97 3i9c n VAL 3 Cb 0.00 -4.08 -0.06 0.00 -0.91 0.00 0.00 33.84 28.79 3i9c n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i9c s LYS 4 N -0.51 3.69 0.07 5.55 -0.14 -1.26 -5.03 119.74 122.11 3i9c s LYS 4 Ca -0.08 0.12 -0.04 0.00 -1.36 0.00 0.00 55.97 54.61 3i9c s LYS 4 Cb 0.01 -3.16 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 3i9c s LYS 4 CO 0.29 0.70 0.07 -1.64 -0.76 0.00 0.00 175.35 174.00 3i9c s MET 5 N -1.28 0.72 -0.75 1.68 -1.94 -1.26 -5.09 119.30 111.38 3i9c s MET 5 Ca 0.23 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 3i9c s MET 5 Cb -0.14 0.27 0.35 0.00 2.01 0.00 0.00 34.83 37.32 3i9c s MET 5 CO 0.11 -0.18 1.49 -2.39 -0.01 0.00 0.00 175.02 174.04 3i9c n HIS 6 N 0.03 3.31 0.00 -0.03 1.44 -1.26 -4.99 115.22 113.72 3i9c n HIS 6 Ca -0.14 -3.02 0.00 0.00 -2.01 0.00 0.00 57.72 52.55 3i9c n HIS 6 Cb 0.62 -0.77 0.00 0.00 0.12 0.00 0.00 29.99 29.95 3i9c n HIS 6 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3i9c n VAL 7 N -0.30 0.00 -3.50 0.61 0.24 -1.26 -4.70 118.33 109.41 3i9c n VAL 7 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.73 3i9c n VAL 7 Cb 0.37 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3i9c n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i9c n LYS 8 N -0.03 0.00 0.00 7.34 5.02 -1.26 -5.05 118.16 124.18 3i9c n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i9c n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i9c n LYS 8 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i9c n LYS 9 N 0.00 0.00 -0.21 1.97 4.76 -1.26 -3.79 118.16 119.63 3i9c n LYS 9 Ca 0.00 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 3i9c n LYS 9 Cb 0.00 -1.31 0.08 0.00 -1.84 0.00 0.00 35.03 31.96 3i9c n LYS 9 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3i9c h GLY 10 N 0.00 0.55 -3.01 0.72 0.00 -1.93 -3.29 103.07 96.10 3i9c h GLY 10 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 47.33 47.09 3i9c h GLY 10 CO 0.00 -0.23 -0.26 1.22 0.00 0.00 0.00 176.54 177.27 3i9c n ASP 11 N -5.37 -0.62 -4.99 0.19 8.00 -1.25 -4.34 116.55 108.17 3i9c n ASP 11 Ca 0.08 0.66 -0.18 0.00 0.71 0.00 0.00 54.79 56.07 3i9c n ASP 11 Cb 0.35 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3i9c n ASP 11 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i9c s THR 12 N -0.49 3.10 -0.30 -3.53 2.01 -1.26 -1.59 115.64 113.58 3i9c s THR 12 Ca 0.40 -1.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.09 3i9c s THR 12 Cb -0.57 -3.06 0.20 0.00 0.01 0.00 0.00 72.50 69.08 3i9c s THR 12 CO 0.33 -0.02 1.48 0.54 -0.69 0.00 0.00 174.62 176.26 3i9c s VAL 13 N -2.34 0.00 0.68 3.82 0.11 0.13 -4.33 120.40 118.46 3i9c s VAL 13 Ca 0.52 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.50 3i9c s VAL 13 Cb -0.09 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 3i9c s VAL 13 CO 0.32 0.00 1.00 -1.48 -3.33 0.00 0.00 175.10 171.61 3i9c s LEU 14 N -0.11 2.93 -0.55 2.54 2.34 -0.92 -2.19 118.68 122.72 3i9c s LEU 14 Ca 0.08 0.63 -0.04 0.00 0.06 0.00 0.00 54.13 54.87 3i9c s LEU 14 Cb -0.05 -3.34 0.14 0.00 -0.56 0.00 0.00 46.19 42.38 3i9c s LEU 14 CO -0.16 -1.42 0.37 -0.69 -1.06 0.00 0.00 176.35 173.39 3i9c s VAL 15 N -3.20 3.69 0.00 1.48 1.01 -1.18 -3.66 120.40 118.53 3i9c s VAL 15 Ca 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3i9c s VAL 15 Cb -0.11 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3i9c s VAL 15 CO 0.46 -0.81 0.30 0.00 0.00 0.00 0.00 175.10 175.05 3i9c n ALA 16 N 3.98 -0.04 0.00 5.51 0.00 -1.05 0.17 120.51 129.07 3i9c n ALA 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i9c n ALA 16 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3i9c n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i9c n SER 17 N -0.75 0.00 0.00 0.00 3.41 -1.23 -4.31 113.62 110.74 3i9c n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i9c n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i9c n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9c n GLY 18 N 0.00 4.75 7.00 5.00 0.00 -1.26 -4.99 105.19 115.70 3i9c n GLY 18 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i9c n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9c n LYS 19 N 0.00 0.00 -1.89 1.61 5.02 -1.26 -3.23 118.16 118.41 3i9c n LYS 19 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 3i9c n LYS 19 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 3i9c n LYS 19 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3i9c s TYR 20 N 0.00 1.65 0.00 2.13 1.51 -1.26 -4.71 117.35 116.68 3i9c s TYR 20 Ca 0.00 1.19 0.00 0.00 -1.01 0.00 0.00 57.07 57.25 3i9c s TYR 20 Cb 0.00 -3.74 0.00 0.00 -0.11 0.00 0.00 41.96 38.11 3i9c s TYR 20 CO 0.00 -1.07 0.14 1.17 -1.11 0.00 0.00 175.55 174.68 3i9c n LYS 21 N 8.31 0.00 -2.67 -0.62 3.00 -1.20 -4.18 118.16 120.81 3i9c n LYS 21 Ca 0.43 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.31 58.65 3i9c n LYS 21 Cb 0.47 -0.97 -0.03 0.00 0.00 0.00 0.00 35.03 34.49 3i9c n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9c n GLY 22 N 2.35 -4.72 0.00 3.14 0.00 0.13 -4.89 105.19 101.20 3i9c n GLY 22 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 46.02 47.43 3i9c n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c n ARG 23 N 1.53 3.32 -3.67 1.61 1.74 -1.26 -4.60 116.66 115.33 3i9c n ARG 23 Ca -0.31 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.68 3i9c n ARG 23 Cb 0.48 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.83 3i9c n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i9c s VAL 24 N 2.95 -0.01 0.20 1.55 1.01 -1.26 -3.11 120.40 121.72 3i9c s VAL 24 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 3i9c s VAL 24 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.62 3i9c s VAL 24 CO 0.00 0.02 0.45 -0.83 0.00 0.00 0.00 175.10 174.75 3i9c s GLY 25 N 1.46 0.21 0.89 4.51 0.00 -0.93 -4.96 107.32 108.52 3i9c s GLY 25 Ca -0.09 -0.57 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 3i9c s GLY 25 CO -0.15 -0.50 1.22 1.25 0.00 0.00 0.00 173.10 174.91 3i9c s LYS 26 N -3.94 1.26 -0.07 2.90 2.20 -1.26 -0.69 119.74 120.14 3i9c s LYS 26 Ca 0.15 -0.04 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 3i9c s LYS 26 Cb 0.00 -1.88 -0.00 0.00 -1.51 0.00 0.00 37.83 34.43 3i9c s LYS 26 CO 0.01 -2.06 -0.23 0.14 -0.36 0.00 0.00 175.35 172.86 3i9c s VAL 27 N -3.60 1.92 -0.04 4.02 -7.23 -0.62 -4.54 120.40 110.30 3i9c s VAL 27 Ca 0.67 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 3i9c s VAL 27 Cb -0.09 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 3i9c s VAL 27 CO 0.51 0.53 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.96 3i9c s LYS 28 N 0.09 2.52 0.37 4.82 2.47 -0.87 -4.46 119.74 124.67 3i9c s LYS 28 Ca -0.10 -0.69 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 3i9c s LYS 28 Cb -0.15 -2.41 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 3i9c s LYS 28 CO 0.05 0.62 0.00 -1.91 0.16 0.00 0.00 175.35 174.28 3i9c n GLU 29 N 2.18 -3.75 -0.04 4.03 4.07 -1.26 -3.59 120.64 122.28 3i9c n GLU 29 Ca -0.17 2.76 -0.09 0.00 -0.06 0.00 0.00 57.16 59.61 3i9c n GLU 29 Cb 0.52 -3.22 -0.03 0.00 -0.06 0.00 0.00 31.44 28.66 3i9c n GLU 29 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3i9c n VAL 30 N -0.33 1.14 -2.56 6.31 0.31 -1.26 -3.29 118.33 118.64 3i9c n VAL 30 Ca 0.00 0.09 -0.02 0.00 -0.01 0.00 0.00 64.34 64.41 3i9c n VAL 30 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 3i9c n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i9c n LEU 31 N -3.84 -5.60 0.41 7.52 4.77 -1.26 -3.57 117.00 115.43 3i9c n LEU 31 Ca -0.15 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 3i9c n LEU 31 Cb 0.43 -2.65 -0.08 0.00 -2.33 0.00 0.00 43.42 38.79 3i9c n LEU 31 CO 0.07 -1.03 0.50 1.55 -1.33 0.00 0.00 177.39 177.15 3i9c h PRO 32 N 0.61 -1.00 0.00 3.23 0.13 -1.97 -1.94 132.00 131.06 3i9c h PRO 32 Ca 0.00 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3i9c h PRO 32 Cb 0.92 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i9c h PRO 32 CO 0.19 -0.67 0.61 1.57 -0.23 0.00 0.00 178.00 179.47 3i9c h LYS 33 N -1.10 0.00 0.00 0.86 -0.00 -1.95 1.13 116.57 115.51 3i9c h LYS 33 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.54 3i9c h LYS 33 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.03 3i9c h LYS 33 CO 0.17 0.00 -0.88 1.63 -0.00 0.00 0.00 179.45 180.38 3i9c n LYS 34 N -2.54 1.84 -3.45 0.07 4.76 -1.14 -5.04 118.16 112.66 3i9c n LYS 34 Ca -0.01 -0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 3i9c n LYS 34 Cb 0.63 -1.22 0.02 0.00 -1.84 0.00 0.00 35.03 32.62 3i9c n LYS 34 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 3i9c n TYR 35 N -1.47 -2.40 -3.44 2.13 4.19 0.39 -4.94 117.16 111.63 3i9c n TYR 35 Ca 0.02 0.85 0.01 0.00 3.31 0.00 0.00 57.90 62.09 3i9c n TYR 35 Cb 0.26 -3.55 -0.05 0.00 0.49 0.00 0.00 39.34 36.49 3i9c n TYR 35 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i9c s ALA 36 N -3.14 -2.75 0.45 2.98 0.00 -1.21 -2.23 121.76 115.85 3i9c s ALA 36 Ca 0.16 2.01 0.08 0.00 0.00 0.00 0.00 51.96 54.20 3i9c s ALA 36 Cb -0.05 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.04 3i9c s ALA 36 CO 0.82 -0.74 0.45 0.14 0.00 0.00 0.00 175.76 176.43 3i9c s VAL 37 N 1.92 2.53 0.02 0.00 -7.23 0.15 -4.38 120.40 113.41 3i9c s VAL 37 Ca -0.04 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 3i9c s VAL 37 Cb -0.04 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3i9c s VAL 37 CO -0.16 0.00 -0.14 0.27 -0.31 0.00 0.00 175.10 174.76 3i9c s ILE 38 N -2.51 1.11 0.00 -0.62 -4.36 -1.21 0.12 121.20 113.73 3i9c s ILE 38 Ca 0.49 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 60.05 3i9c s ILE 38 Cb -0.04 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.70 3i9c s ILE 38 CO 0.29 0.13 0.00 1.33 0.24 0.00 0.00 174.94 176.93 3i9c n VAL 39 N 2.24 0.00 0.89 8.37 0.24 -1.26 -2.05 118.33 126.77 3i9c n VAL 39 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3i9c n VAL 39 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 3i9c n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i9c n GLU 40 N 0.00 0.75 0.00 7.34 4.71 -1.26 -4.61 120.64 127.57 3i9c n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i9c n GLU 40 Cb 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 3i9c n GLU 40 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i9c n GLY 41 N 0.15 0.82 3.33 0.62 0.00 -1.26 -4.95 105.19 103.90 3i9c n GLY 41 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i9c n GLY 41 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i9c n VAL 42 N 0.00 0.91 0.00 1.61 3.14 -1.26 -4.84 118.33 117.89 3i9c n VAL 42 Ca 0.00 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 3i9c n VAL 42 Cb 0.00 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 3i9c n VAL 42 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3i9c n ASN 43 N 0.98 0.00 -4.04 6.55 2.04 -1.26 -2.36 115.26 117.17 3i9c n ASN 43 Ca 0.07 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.85 3i9c n ASN 43 Cb 0.51 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.80 3i9c n ASN 43 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i9c n ILE 44 N 0.00 0.01 -1.97 1.53 3.06 -1.26 -4.07 119.36 116.65 3i9c n ILE 44 Ca 0.00 -0.49 -0.27 0.00 -2.50 0.00 0.00 62.75 59.49 3i9c n ILE 44 Cb 0.00 -0.02 -0.05 0.00 0.54 0.00 0.00 39.64 40.11 3i9c n ILE 44 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 3i9c s VAL 45 N -2.01 3.37 -0.24 9.51 -7.23 -1.26 -4.37 120.40 118.17 3i9c s VAL 45 Ca 0.42 -0.22 -0.31 0.00 -1.81 0.00 0.00 61.98 60.06 3i9c s VAL 45 Cb -0.21 -3.85 -0.08 0.00 0.56 0.00 0.00 36.38 32.80 3i9c s VAL 45 CO 0.81 -0.80 2.17 0.29 -0.31 0.00 0.00 175.10 177.26 3i9c n LYS 46 N 8.91 1.69 -2.91 4.82 5.02 -1.25 -4.73 118.16 129.72 3i9c n LYS 46 Ca 0.38 0.49 -0.44 0.00 -2.02 0.00 0.00 58.31 56.72 3i9c n LYS 46 Cb 0.48 -2.90 -0.02 0.00 -0.02 0.00 0.00 35.03 32.57 3i9c n LYS 46 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i9c s LYS 47 N 6.04 3.72 -1.01 1.97 1.02 -1.26 -3.34 119.74 126.88 3i9c s LYS 47 Ca 1.03 -1.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 3i9c s LYS 47 Cb -0.56 -4.99 0.26 0.00 -0.52 0.00 0.00 37.83 32.02 3i9c s LYS 47 CO 0.42 -1.80 1.00 0.00 -0.92 0.00 0.00 175.35 174.05 3i9c n ALA 48 N 6.48 4.15 0.00 5.17 0.00 -1.25 -4.95 120.51 130.11 3i9c n ALA 48 Ca 0.28 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 49.06 3i9c n ALA 48 Cb 0.48 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3i9c n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9c n VAL 49 N 2.30 0.00 -0.46 0.00 0.31 -1.26 -4.28 118.33 114.94 3i9c n VAL 49 Ca 0.24 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.50 3i9c n VAL 49 Cb 0.38 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.24 3i9c n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i9c n ARG 50 N -0.76 0.00 -0.66 5.55 3.00 -1.26 -4.51 116.66 118.02 3i9c n ARG 50 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.78 3i9c n ARG 50 Cb 0.00 -0.31 0.18 0.00 0.00 0.00 0.00 32.46 32.33 3i9c n ARG 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i9c n VAL 51 N 1.68 2.04 -2.12 1.55 3.14 -1.26 -1.56 118.33 121.80 3i9c n VAL 51 Ca 0.20 -1.02 -0.01 0.00 -2.96 0.00 0.00 64.34 60.55 3i9c n VAL 51 Cb 0.04 -0.53 0.01 0.00 -1.06 0.00 0.00 33.84 32.30 3i9c n VAL 51 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3i9c n SER 52 N -0.09 -0.35 -1.93 6.55 3.41 -1.26 -2.83 113.62 117.12 3i9c n SER 52 Ca 0.27 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 3i9c n SER 52 Cb 1.04 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3i9c n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3i9c n PRO 53 N -0.23 2.71 -1.78 4.33 -0.02 -1.26 -4.49 135.00 134.26 3i9c n PRO 53 Ca -0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.02 3i9c n PRO 53 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.99 3i9c n PRO 53 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i9c s LYS 54 N 0.00 3.73 -0.34 -0.52 -0.14 -1.26 -3.44 119.74 117.77 3i9c s LYS 54 Ca 0.00 2.46 -0.08 0.00 -1.36 0.00 0.00 55.97 56.99 3i9c s LYS 54 Cb 0.00 -2.70 0.01 0.00 -1.68 0.00 0.00 37.83 33.46 3i9c s LYS 54 CO 0.00 -0.80 0.25 0.66 -0.76 0.00 0.00 175.35 174.70 3i9c n TYR 55 N -0.12 -3.50 -0.55 3.18 0.53 -1.26 -4.68 117.16 110.76 3i9c n TYR 55 Ca 0.05 1.50 -0.21 0.00 -1.02 0.00 0.00 57.90 58.21 3i9c n TYR 55 Cb 0.41 -3.74 -0.03 0.00 -1.03 0.00 0.00 39.34 34.95 3i9c n TYR 55 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 3i9c n PRO 56 N 0.34 0.00 -0.53 -0.72 -0.04 -1.22 -4.50 135.00 128.33 3i9c n PRO 56 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3i9c n PRO 56 Cb 0.23 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.16 3i9c n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i9c n GLN 57 N 0.70 0.00 -2.02 0.54 6.02 -1.13 -4.84 117.38 116.65 3i9c n GLN 57 Ca 0.08 0.40 -0.03 0.00 -0.01 0.00 0.00 57.00 57.44 3i9c n GLN 57 Cb 0.02 -0.13 0.04 0.00 1.02 0.00 0.00 30.24 31.19 3i9c n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i9c n GLY 58 N 0.63 1.39 0.00 1.08 0.00 -0.60 -4.69 105.19 102.99 3i9c n GLY 58 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3i9c n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 59 N -0.66 -1.79 3.47 -0.02 0.00 -0.63 -4.57 105.19 100.99 3i9c n GLY 59 Ca -0.14 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3i9c n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9c s PHE 60 N 0.00 2.90 0.00 1.61 -0.00 -1.23 -3.88 117.98 117.38 3i9c s PHE 60 Ca 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 56.93 55.83 3i9c s PHE 60 Cb 0.00 -4.37 0.00 0.00 -0.00 0.00 0.00 43.02 38.65 3i9c s PHE 60 CO 0.00 -1.62 0.00 -0.89 -0.00 0.00 0.00 175.22 172.71 3i9c n ILE 61 N 5.87 0.00 0.05 -4.49 -0.00 -1.21 -4.76 119.36 114.82 3i9c n ILE 61 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.95 3i9c n ILE 61 Cb 0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.09 3i9c n ILE 61 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 3i9c n GLU 62 N 0.00 0.00 -1.65 0.38 -0.00 -1.26 -4.33 120.64 113.78 3i9c n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i9c n GLU 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i9c n GLU 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i9c n LYS 63 N -2.70 -1.41 -1.63 3.44 3.00 -1.26 -3.89 118.16 113.71 3i9c n LYS 63 Ca 0.00 1.00 -0.48 0.00 -0.00 0.00 0.00 58.31 58.83 3i9c n LYS 63 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 35.03 33.53 3i9c n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i9c n GLU 64 N 1.55 1.99 -3.53 1.64 1.02 -1.26 -4.39 120.64 117.65 3i9c n GLU 64 Ca 0.00 0.68 -0.38 0.00 -0.02 0.00 0.00 57.16 57.44 3i9c n GLU 64 Cb 0.00 -2.74 -0.06 0.00 -0.02 0.00 0.00 31.44 28.62 3i9c n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9c s ALA 65 N 5.40 3.71 0.44 0.62 0.00 -0.99 -4.91 121.76 126.03 3i9c s ALA 65 Ca 0.97 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 3i9c s ALA 65 Cb -0.65 -2.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 3i9c s ALA 65 CO 0.48 0.50 0.86 -2.30 0.00 0.00 0.00 175.76 175.30 3i9c n PRO 66 N 1.79 1.06 -4.79 0.00 -0.02 -1.26 -4.59 135.00 127.18 3i9c n PRO 66 Ca -0.14 0.38 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 3i9c n PRO 66 Cb 0.53 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 3i9c n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i9c s LEU 67 N -0.02 2.05 -0.07 2.45 2.96 0.33 -4.95 118.68 121.42 3i9c s LEU 67 Ca 0.65 -0.34 -0.34 0.00 -0.22 0.00 0.00 54.13 53.88 3i9c s LEU 67 Cb -0.55 -0.89 -0.12 0.00 0.50 0.00 0.00 46.19 45.13 3i9c s LEU 67 CO 0.56 0.20 1.88 1.57 -1.32 0.00 0.00 176.35 179.24 3i9c n HIS 68 N 2.54 2.34 -0.30 5.38 -0.00 -1.26 0.33 115.22 124.25 3i9c n HIS 68 Ca -0.15 -0.02 0.25 0.00 -0.00 0.00 0.00 57.72 57.80 3i9c n HIS 68 Cb 0.54 -2.67 0.47 0.00 -0.00 0.00 0.00 29.99 28.33 3i9c n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i9c n ALA 69 N 6.59 0.82 1.66 1.57 0.00 -0.95 0.17 120.51 130.38 3i9c n ALA 69 Ca 0.22 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.60 3i9c n ALA 69 Cb 0.30 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3i9c n ALA 69 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i9c n SER 70 N -5.11 0.04 -0.83 0.00 3.41 -1.26 -2.76 113.62 107.11 3i9c n SER 70 Ca 0.31 -1.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.34 3i9c n SER 70 Cb 1.06 -0.02 0.10 0.00 -0.26 0.00 0.00 64.21 65.08 3i9c n SER 70 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i9c n LYS 71 N -0.47 2.03 0.00 4.33 4.76 0.13 -4.81 118.16 124.13 3i9c n LYS 71 Ca 0.00 -1.66 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 3i9c n LYS 71 Cb 0.01 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 3i9c n LYS 71 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i9c n VAL 72 N 0.97 0.00 0.00 -0.18 0.24 -1.11 -2.54 118.33 115.71 3i9c n VAL 72 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3i9c n VAL 72 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 3i9c n VAL 72 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i9c n ARG 73 N 0.00 0.00 -0.07 7.34 1.74 -1.24 -3.08 116.66 121.34 3i9c n ARG 73 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3i9c n ARG 73 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 3i9c n ARG 73 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i9c n PRO 74 N 0.56 -1.89 0.00 5.56 -0.04 -1.26 -2.16 135.00 135.78 3i9c n PRO 74 Ca 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 3i9c n PRO 74 Cb 0.00 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 3i9c n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i9c n ILE 75 N -3.42 0.00 -3.63 0.52 0.00 -1.26 -3.51 119.36 108.06 3i9c n ILE 75 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 62.75 62.73 3i9c n ILE 75 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 39.64 39.71 3i9c n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i9c n PRO 77 N 0.88 -0.02 0.00 0.00 -0.02 -1.26 -4.37 135.00 130.21 3i9c n PRO 77 Ca -0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3i9c n PRO 77 Cb 0.58 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3i9c n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9c n ALA 78 N -0.48 0.00 -3.22 3.55 0.00 -1.26 -5.02 120.51 114.08 3i9c n ALA 78 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 3i9c n ALA 78 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 3i9c n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9c n GLY 80 N 2.33 -4.68 3.45 0.00 0.00 -1.23 -4.98 105.19 100.09 3i9c n GLY 80 Ca 0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3i9c n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c s LYS 81 N -0.47 1.27 0.14 1.61 1.02 -1.24 -4.92 119.74 117.14 3i9c s LYS 81 Ca 0.00 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.37 3i9c s LYS 81 Cb 0.00 0.57 -0.08 0.00 -0.52 0.00 0.00 37.83 37.80 3i9c s LYS 81 CO 0.00 -0.56 0.20 -2.30 -0.92 0.00 0.00 175.35 171.77 3i9c n PRO 82 N -0.37 0.00 -2.76 -1.68 -0.02 -1.26 -4.71 135.00 124.20 3i9c n PRO 82 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 3i9c n PRO 82 Cb 0.64 -0.51 -0.03 0.00 -0.02 0.00 0.00 33.50 33.58 3i9c n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i9c s THR 83 N -0.62 4.21 0.33 3.45 2.01 -1.26 -3.49 115.64 120.26 3i9c s THR 83 Ca 0.32 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.89 3i9c s THR 83 Cb -0.43 -4.81 0.13 0.00 0.01 0.00 0.00 72.50 67.40 3i9c s THR 83 CO 0.30 -1.63 1.83 -0.09 -0.69 0.00 0.00 174.62 174.34 3i9c h ARG 84 N 9.57 0.45 -4.39 4.92 9.65 0.48 -3.46 114.38 131.59 3i9c h ARG 84 Ca -0.13 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3i9c h ARG 84 Cb 1.05 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3i9c h ARG 84 CO 1.23 0.56 -0.74 0.28 2.80 0.00 0.00 179.97 184.09 3i9c n VAL 85 N -4.23-10.31 -3.99 0.20 0.31 -0.67 -4.87 118.33 94.78 3i9c n VAL 85 Ca 0.00 2.51 -0.15 0.00 -0.01 0.00 0.00 64.34 66.69 3i9c n VAL 85 Cb 0.30 -4.75 -0.15 0.00 -0.91 0.00 0.00 33.84 28.33 3i9c n VAL 85 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i9c s ARG 86 N -0.43 0.24 -0.03 5.55 3.00 -1.16 -4.87 118.95 121.24 3i9c s ARG 86 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 55.73 55.74 3i9c s ARG 86 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 34.95 34.64 3i9c s ARG 86 CO 0.00 0.00 -0.20 -1.59 0.00 0.00 0.00 175.30 173.51 3i9c s LYS 87 N 0.25 2.30 -0.05 3.54 -2.85 -1.26 0.12 119.74 121.80 3i9c s LYS 87 Ca -0.02 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.97 54.13 3i9c s LYS 87 Cb -0.05 -2.21 0.03 0.00 -2.06 0.00 0.00 37.83 33.54 3i9c s LYS 87 CO -0.01 0.59 0.01 0.15 0.10 0.00 0.00 175.35 176.19 3i9c s LYS 88 N -0.67 0.39 0.00 1.78 -0.14 -1.00 -4.93 119.74 115.16 3i9c s LYS 88 Ca 0.11 0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 3i9c s LYS 88 Cb -0.10 -0.69 0.00 0.00 -1.68 0.00 0.00 37.83 35.35 3i9c s LYS 88 CO -0.00 -0.23 0.00 1.97 -0.76 0.00 0.00 175.35 176.33 3i9c n PHE 89 N 4.71 0.00 0.00 3.18 1.16 -1.26 -4.17 117.46 121.08 3i9c n PHE 89 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3i9c n PHE 89 Cb 0.50 -0.54 0.00 0.00 -1.61 0.00 0.00 39.48 37.84 3i9c n PHE 89 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3i9c n LEU 90 N 0.00 0.00 0.00 5.98 7.99 -1.26 -5.16 117.00 124.55 3i9c n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i9c n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i9c n LEU 90 CO 0.00 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.09 3i9c n GLU 91 N 0.00 0.42 -4.88 3.23 4.07 -1.26 -5.07 120.64 117.16 3i9c n GLU 91 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 3i9c n GLU 91 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 3i9c n GLU 91 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i9c s ASN 92 N -1.00 2.39 -0.80 4.31 2.20 -1.26 -2.37 114.94 118.41 3i9c s ASN 92 Ca 0.00 -0.42 -0.19 0.00 -0.94 0.00 0.00 52.86 51.31 3i9c s ASN 92 Cb 0.00 -1.10 0.12 0.00 -2.00 0.00 0.00 41.25 38.27 3i9c s ASN 92 CO 0.00 0.09 0.98 -0.83 -2.94 0.00 0.00 177.10 174.40 3i9c s GLY 93 N 0.52 1.86 -0.11 0.45 0.00 0.32 -4.90 107.32 105.46 3i9c s GLY 93 Ca -0.16 -2.53 -0.39 0.00 0.00 0.00 0.00 44.72 41.64 3i9c s GLY 93 CO 0.06 1.86 1.54 1.17 0.00 0.00 0.00 173.10 177.74 3i9c n LYS 94 N 6.49 1.10 -3.70 2.90 4.81 -1.26 -2.97 118.16 125.53 3i9c n LYS 94 Ca 0.11 0.40 -0.12 0.00 -0.87 0.00 0.00 58.31 57.82 3i9c n LYS 94 Cb 0.47 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.39 3i9c n LYS 94 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3i9c s LYS 95 N 2.08 0.87 0.00 1.64 0.00 -1.26 -4.16 119.74 118.91 3i9c s LYS 95 Ca 0.92 -0.39 0.00 0.00 0.00 0.00 0.00 55.97 56.50 3i9c s LYS 95 Cb -1.03 0.39 0.00 0.00 0.00 0.00 0.00 37.83 37.18 3i9c s LYS 95 CO 0.57 -0.29 0.00 -0.89 0.00 0.00 0.00 175.35 174.74 3i9c n ILE 96 N 0.57 0.00 -0.01 3.79 5.41 -1.22 0.89 119.36 128.80 3i9c n ILE 96 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3i9c n ILE 96 Cb 0.59 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.53 3i9c n ILE 96 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3i9c n ARG 97 N -0.74 2.41 0.00 0.38 0.00 -1.23 -3.45 116.66 114.04 3i9c n ARG 97 Ca 0.00 -1.39 0.06 0.00 -0.00 0.00 0.00 57.85 56.52 3i9c n ARG 97 Cb 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 32.46 31.45 3i9c n ARG 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i9c n VAL 98 N -0.37 0.00 0.00 8.89 3.14 -1.26 -5.02 118.33 123.71 3i9c n VAL 98 Ca 0.01 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 3i9c n VAL 98 Cb 0.22 1.15 0.00 0.00 -1.06 0.00 0.00 33.84 34.16 3i9c n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i9c n ALA 100 N 0.00 0.00 -1.55 0.00 0.00 -1.26 -4.88 120.51 112.82 3i9c n ALA 100 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3i9c n ALA 100 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3i9c n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i9c n LYS 101 N 0.00 0.00 0.00 0.00 4.81 -1.26 -3.39 118.16 118.32 3i9c n LYS 101 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 3i9c n LYS 101 Cb 0.00 0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.44 3i9c n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57