#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c n SER 2 N 0.00 -3.02 -0.05 1.61 2.88 -1.26 -4.86 113.62 108.91 1x5c n SER 2 Ca 0.00 -0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 56.55 1x5c n SER 2 Cb 0.00 -3.50 -0.04 0.00 -0.75 0.00 0.00 64.21 59.91 1x5c n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5c n SER 3 N -2.86 1.57 -2.15 -3.46 3.41 -1.26 -5.09 113.62 103.78 1x5c n SER 3 Ca -0.07 0.07 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1x5c n SER 3 Cb 0.57 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1x5c n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5c n GLY 4 N 2.53 -0.84 3.91 5.00 0.00 -1.26 -5.05 105.19 109.47 1x5c n GLY 4 Ca -0.21 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1x5c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5c s SER 5 N -2.09 2.93 -0.22 1.61 0.15 -1.26 -5.10 113.70 109.72 1x5c s SER 5 Ca 0.05 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 1x5c s SER 5 Cb -0.02 -0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.04 1x5c s SER 5 CO 0.34 -2.85 0.53 -0.94 1.20 0.00 0.00 173.24 171.52 1x5c s SER 6 N -4.84 -0.70 0.00 5.45 1.04 -1.26 -5.13 113.70 108.26 1x5c s SER 6 Ca 0.74 1.17 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1x5c s SER 6 Cb -0.04 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1x5c s SER 6 CO 0.53 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.15 1x5c n GLY 7 N 4.36 3.39 0.06 7.32 0.00 -1.26 -5.05 105.19 114.01 1x5c n GLY 7 Ca -0.21 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1x5c n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5c h PRO 8 N 0.00 -0.00 -6.20 1.61 0.13 -1.88 -3.45 132.00 122.21 1x5c h PRO 8 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1x5c h PRO 8 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1x5c h PRO 8 CO 0.00 0.49 -0.86 0.54 -0.23 0.00 0.00 178.00 177.93 1x5c s VAL 9 N -4.24 2.24 0.53 1.56 0.11 -1.26 -2.74 120.40 116.59 1x5c s VAL 9 Ca -0.16 -1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 57.68 1x5c s VAL 9 Cb 0.02 -1.82 -0.06 0.00 -1.53 0.00 0.00 36.38 32.99 1x5c s VAL 9 CO 0.67 0.57 1.14 -0.75 -3.33 0.00 0.00 175.10 173.41 1x5c s LYS 10 N -0.35 3.44 -0.43 1.54 2.20 -0.73 -4.83 119.74 120.57 1x5c s LYS 10 Ca 0.02 1.65 -0.06 0.00 -0.36 0.00 0.00 55.97 57.23 1x5c s LYS 10 Cb -0.12 -2.09 0.11 0.00 -1.51 0.00 0.00 37.83 34.21 1x5c s LYS 10 CO 0.02 -0.79 0.26 0.08 -0.36 0.00 0.00 175.35 174.56 1x5c s VAL 11 N -1.71 3.75 0.42 4.02 1.01 -1.26 0.10 120.40 126.71 1x5c s VAL 11 Ca 0.71 -1.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1x5c s VAL 11 Cb -0.25 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1x5c s VAL 11 CO 0.29 -0.70 0.97 -0.76 0.00 0.00 0.00 175.10 174.90 1x5c s LEU 12 N 1.26 4.02 0.16 3.92 1.43 0.39 -4.94 118.68 124.92 1x5c s LEU 12 Ca 0.06 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 55.03 1x5c s LEU 12 Cb -0.24 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 1x5c s LEU 12 CO -0.02 -0.38 -0.15 0.68 0.23 0.00 0.00 176.35 176.70 1x5c s VAL 13 N -1.99 1.61 -1.69 -1.59 -7.23 -1.26 -4.46 120.40 103.78 1x5c s VAL 13 Ca 0.60 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1x5c s VAL 13 Cb -0.13 -1.82 0.19 0.00 0.56 0.00 0.00 36.38 35.17 1x5c s VAL 13 CO 0.18 -0.47 1.05 0.61 -0.31 0.00 0.00 175.10 176.15 1x5c n GLY 14 N 0.10 -0.42 0.12 2.32 0.00 -1.26 0.17 105.19 106.23 1x5c n GLY 14 Ca -0.12 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1x5c n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5c n LYS 15 N -1.15 0.64 -0.39 1.61 4.81 -1.26 -4.54 118.16 117.87 1x5c n LYS 15 Ca 0.05 0.39 0.07 0.00 -0.87 0.00 0.00 58.31 57.95 1x5c n LYS 15 Cb 0.05 -1.67 0.14 0.00 0.02 0.00 0.00 35.03 33.57 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1x5c n ASN 16 N -4.01 1.81 0.10 3.14 6.94 -1.01 -4.85 115.26 117.38 1x5c n ASN 16 Ca -0.37 -3.19 -0.08 0.00 -0.02 0.00 0.00 54.58 50.91 1x5c n ASN 16 Cb 0.86 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.79 1x5c n ASN 16 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x5c h PHE 17 N 0.41 -0.71 -0.50 -2.53 3.57 0.15 -1.53 116.94 115.80 1x5c h PHE 17 Ca -0.02 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1x5c h PHE 17 Cb 1.10 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 1x5c h PHE 17 CO 0.28 -0.31 0.33 0.93 -2.23 0.00 0.00 178.31 177.31 1x5c h GLU 18 N -0.43 0.38 -0.88 1.11 5.08 -1.89 1.07 114.58 119.02 1x5c h GLU 18 Ca -0.02 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1x5c h GLU 18 Cb 0.40 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1x5c h GLU 18 CO -0.08 0.25 0.55 -0.44 -1.00 0.00 0.00 179.01 178.28 1x5c h ASP 19 N 0.39 0.85 0.00 1.42 3.32 -1.67 -1.91 116.42 118.82 1x5c h ASP 19 Ca 0.22 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1x5c h ASP 19 Cb 0.37 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1x5c h ASP 19 CO -0.05 0.53 -1.11 0.52 -1.72 0.00 0.00 179.24 177.41 1x5c n VAL 20 N -4.62 1.50 -0.24 -1.35 0.31 -0.58 -4.64 118.33 108.72 1x5c n VAL 20 Ca 0.13 0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.49 1x5c n VAL 20 Cb 0.19 -2.31 -0.03 0.00 -0.91 0.00 0.00 33.84 30.78 1x5c n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5c h ALA 21 N -1.00 -0.28 -1.66 3.52 0.00 0.10 -3.21 119.26 116.74 1x5c h ALA 21 Ca -0.05 0.13 -0.66 0.00 0.00 0.00 0.00 54.91 54.33 1x5c h ALA 21 Cb 1.04 0.98 -0.15 0.00 0.00 0.00 0.00 17.79 19.66 1x5c h ALA 21 CO -0.03 -0.81 1.01 -0.06 0.00 0.00 0.00 179.25 179.36 1x5c s PHE 22 N -5.83 2.90 -0.08 0.00 0.08 -0.72 -4.60 117.98 109.73 1x5c s PHE 22 Ca -0.14 -1.14 0.03 0.00 0.12 0.00 0.00 56.93 55.80 1x5c s PHE 22 Cb 0.14 -4.41 0.01 0.00 -0.57 0.00 0.00 43.02 38.18 1x5c s PHE 22 CO 0.67 -1.64 -0.17 -0.51 -0.10 0.00 0.00 175.22 173.46 1x5c s ASP 23 N 4.04 2.35 0.47 1.36 1.01 -1.22 -4.65 116.67 120.04 1x5c s ASP 23 Ca 0.36 -0.41 -0.22 0.00 0.71 0.00 0.00 52.55 52.99 1x5c s ASP 23 Cb -0.04 -1.08 -0.08 0.00 1.01 0.00 0.00 42.92 42.73 1x5c s ASP 23 CO -0.08 0.09 1.11 -0.70 0.21 0.00 0.00 175.17 175.80 1x5c s GLU 24 N 0.53 3.76 -1.80 8.23 2.56 -1.26 -3.11 118.70 127.60 1x5c s GLU 24 Ca -0.16 1.60 0.00 0.00 0.00 0.00 0.00 54.97 56.41 1x5c s GLU 24 Cb -0.17 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 33.68 1x5c s GLU 24 CO 0.06 -0.51 0.00 1.63 -0.56 0.00 0.00 175.26 175.88 1x5c n LYS 25 N -0.69 -1.68 -3.67 4.30 4.76 -1.26 -4.96 118.16 114.97 1x5c n LYS 25 Ca 0.08 1.02 -0.09 0.00 -2.87 0.00 0.00 58.31 56.45 1x5c n LYS 25 Cb 0.50 -5.64 -0.10 0.00 -1.84 0.00 0.00 35.03 27.95 1x5c n LYS 25 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1x5c s LYS 26 N -4.83 0.38 -0.63 1.97 2.47 -1.18 -4.85 119.74 113.06 1x5c s LYS 26 Ca 0.00 0.94 -0.21 0.00 -1.56 0.00 0.00 55.97 55.14 1x5c s LYS 26 Cb 0.00 0.16 0.09 0.00 -1.46 0.00 0.00 37.83 36.62 1x5c s LYS 26 CO 0.00 -0.20 0.84 -0.80 0.16 0.00 0.00 175.35 175.35 1x5c s ASN 27 N 1.98 6.19 -0.23 1.43 0.01 0.49 -3.96 114.94 120.84 1x5c s ASN 27 Ca -0.06 -1.24 -0.09 0.00 -0.71 0.00 0.00 52.86 50.76 1x5c s ASN 27 Cb -0.10 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1x5c s ASN 27 CO -0.13 -1.27 0.13 -0.69 -1.51 0.00 0.00 177.10 173.62 1x5c s VAL 28 N 3.34 5.05 -0.52 1.60 1.01 -0.53 -0.98 120.40 129.37 1x5c s VAL 28 Ca 0.17 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1x5c s VAL 28 Cb -0.20 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 32.96 1x5c s VAL 28 CO 0.08 0.36 0.45 0.12 0.00 0.00 0.00 175.10 176.11 1x5c s PHE 29 N 1.06 3.31 0.59 5.22 5.36 -0.64 -0.37 117.98 132.50 1x5c s PHE 29 Ca 0.06 -1.47 -0.09 0.00 -0.96 0.00 0.00 56.93 54.47 1x5c s PHE 29 Cb -0.14 -3.69 -0.02 0.00 -0.34 0.00 0.00 43.02 38.83 1x5c s PHE 29 CO 0.04 -1.01 0.95 0.08 -1.46 0.00 0.00 175.22 173.82 1x5c s VAL 30 N 1.52 4.43 -0.24 3.12 1.01 -0.85 -1.96 120.40 127.43 1x5c s VAL 30 Ca 0.04 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1x5c s VAL 30 Cb -0.29 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1x5c s VAL 30 CO 0.02 -0.88 0.16 -0.70 0.00 0.00 0.00 175.10 173.70 1x5c s GLU 31 N -5.05 0.17 -0.65 2.72 2.12 -0.85 -2.76 118.70 114.40 1x5c s GLU 31 Ca 0.53 -0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.41 1x5c s GLU 31 Cb -0.11 -1.28 0.04 0.00 0.26 0.00 0.00 34.13 33.04 1x5c s GLU 31 CO 0.50 -0.85 1.15 -0.06 -0.54 0.00 0.00 175.26 175.46 1x5c s PHE 32 N 2.20 2.51 0.42 5.30 0.08 0.20 -2.10 117.98 126.59 1x5c s PHE 32 Ca 0.07 0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.20 1x5c s PHE 32 Cb -0.16 -4.46 -0.02 0.00 -0.57 0.00 0.00 43.02 37.82 1x5c s PHE 32 CO -0.23 -1.76 0.35 1.52 -0.10 0.00 0.00 175.22 175.00 1x5c s TYR 33 N 4.98 2.62 -0.03 0.36 -0.85 -1.01 -1.29 117.35 122.12 1x5c s TYR 33 Ca 0.35 -0.53 0.04 0.00 -0.52 0.00 0.00 57.07 56.40 1x5c s TYR 33 Cb -0.10 -2.13 -0.00 0.00 0.38 0.00 0.00 41.96 40.11 1x5c s TYR 33 CO 0.18 -0.11 -0.14 0.00 -1.52 0.00 0.00 175.55 173.96 1x5c s ALA 34 N -2.51 1.28 -1.62 9.51 0.00 -1.26 -3.12 121.76 124.04 1x5c s ALA 34 Ca 0.46 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.01 1x5c s ALA 34 Cb -0.02 -0.43 0.81 0.00 0.00 0.00 0.00 23.12 23.48 1x5c s ALA 34 CO 0.27 0.23 1.39 -0.35 0.00 0.00 0.00 175.76 177.30 1x5c n PRO 35 N 3.16 0.30 0.00 0.00 -0.04 -1.26 -2.20 135.00 134.96 1x5c n PRO 35 Ca -0.18 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1x5c n PRO 35 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1x5c n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5c n TRP 36 N -1.19 0.00 -2.76 0.54 4.27 -1.26 -5.01 117.44 112.03 1x5c n TRP 36 Ca 0.09 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 1x5c n TRP 36 Cb 0.10 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.02 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c h GLY 38 N 9.53 -0.98 -1.65 0.00 0.00 -1.95 -2.80 103.07 105.23 1x5c h GLY 38 Ca -0.21 0.36 0.52 0.00 0.00 0.00 0.00 47.33 48.00 1x5c h GLY 38 CO 0.95 -0.36 1.17 0.45 0.00 0.00 0.00 176.54 178.75 1x5c h HIS 39 N -1.02 0.23 -0.35 5.60 3.86 -1.93 1.18 115.15 122.73 1x5c h HIS 39 Ca -0.10 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1x5c h HIS 39 Cb 0.72 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1x5c h HIS 39 CO 0.05 -0.12 0.03 0.00 0.86 0.00 0.00 177.93 178.75 1x5c h LYS 41 N 0.41 0.08 0.00 0.00 6.56 0.15 1.67 116.57 125.45 1x5c h LYS 41 Ca 0.10 -0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.51 1x5c h LYS 41 Cb 0.39 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 1x5c h LYS 41 CO 0.01 0.05 -0.84 1.96 -2.06 0.00 0.00 179.45 178.57 1x5c h GLN 42 N 0.09 0.00 0.00 3.15 1.08 -1.52 -3.24 115.11 114.66 1x5c h GLN 42 Ca 0.73 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.77 1x5c h GLN 42 Cb 2.59 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 30.00 1x5c h GLN 42 CO -0.17 0.84 -0.75 1.25 -0.95 0.00 0.00 178.83 179.05 1x5c h LEU 43 N 0.00 0.00 -0.94 1.46 5.85 0.24 -3.29 115.31 118.62 1x5c h LEU 43 Ca -0.01 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1x5c h LEU 43 Cb 1.60 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.49 1x5c h LEU 43 CO 0.11 0.75 -0.44 0.00 -0.34 0.00 0.00 178.44 178.52 1x5c h ALA 44 N 1.25 -0.08 0.07 1.25 0.00 -0.99 0.89 119.26 121.65 1x5c h ALA 44 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x5c h ALA 44 Cb 1.44 1.10 0.00 0.00 0.00 0.00 0.00 17.79 20.33 1x5c h ALA 44 CO 0.10 -0.73 -0.03 -1.00 0.00 0.00 0.00 179.25 177.58 1x5c h PRO 45 N -0.03 -0.09 -0.27 0.00 0.13 -1.76 -1.01 132.00 128.96 1x5c h PRO 45 Ca 0.28 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.49 1x5c h PRO 45 Cb 0.54 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1x5c h PRO 45 CO -0.94 0.36 0.26 0.82 -0.23 0.00 0.00 178.00 178.28 1x5c h ILE 46 N -0.58 0.54 0.01 -3.56 2.04 -1.42 0.30 117.51 114.83 1x5c h ILE 46 Ca -0.01 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.57 1x5c h ILE 46 Cb 0.50 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1x5c h ILE 46 CO 0.02 0.00 -1.57 -0.25 0.00 0.00 0.00 178.15 176.34 1x5c h TRP 47 N 0.00 0.03 0.00 1.37 2.91 0.84 -3.16 115.95 117.94 1x5c h TRP 47 Ca 0.13 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1x5c h TRP 47 Cb 0.65 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 1x5c h TRP 47 CO 0.00 1.04 -0.07 -0.44 -1.03 0.00 0.00 178.44 177.94 1x5c h ASP 48 N 0.00 0.00 0.85 2.65 3.32 0.40 -2.55 116.42 121.10 1x5c h ASP 48 Ca -0.23 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.64 1x5c h ASP 48 Cb 1.97 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.49 1x5c h ASP 48 CO 0.09 0.00 -1.24 0.11 -1.72 0.00 0.00 179.24 176.48 1x5c h LYS 49 N 0.00 0.00 0.07 3.56 1.57 -0.62 -3.33 116.57 117.82 1x5c h LYS 49 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1x5c h LYS 49 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1x5c h LYS 49 CO 0.00 0.38 -1.54 1.25 -0.57 0.00 0.00 179.45 178.97 1x5c h LEU 50 N 0.00 0.25 -1.37 2.94 5.85 -1.56 -3.33 115.31 118.09 1x5c h LEU 50 Ca -0.13 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1x5c h LEU 50 Cb 1.59 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1x5c h LEU 50 CO 0.06 1.32 0.26 1.23 -0.34 0.00 0.00 178.44 180.97 1x5c h GLY 51 N 2.25 0.74 2.00 3.75 0.00 -1.59 -1.63 103.07 108.58 1x5c h GLY 51 Ca -0.24 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1x5c h GLY 51 CO 0.13 0.31 -0.34 1.05 0.00 0.00 0.00 176.54 177.69 1x5c h GLU 52 N 0.70 0.00 0.00 4.80 4.11 -1.62 0.90 114.58 123.46 1x5c h GLU 52 Ca 0.18 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.49 1x5c h GLU 52 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1x5c h GLU 52 CO -0.03 0.34 -0.54 1.15 0.07 0.00 0.00 179.01 180.00 1x5c h THR 53 N 0.00 1.31 -0.01 -1.06 2.02 -1.40 -3.22 112.91 110.54 1x5c h THR 53 Ca -0.00 -1.91 -0.05 0.00 0.77 0.00 0.00 66.41 65.22 1x5c h THR 53 Cb 0.82 2.05 -0.10 0.00 -1.74 0.00 0.00 68.15 69.18 1x5c h THR 53 CO 0.04 0.53 -0.64 -1.22 0.37 0.00 0.00 175.52 174.61 1x5c n TYR 54 N -3.78 0.04 0.10 3.16 4.02 -1.09 -4.74 117.16 114.87 1x5c n TYR 54 Ca -0.01 -1.27 -0.06 0.00 -0.01 0.00 0.00 57.90 56.56 1x5c n TYR 54 Cb 0.57 -0.23 0.03 0.00 -0.02 0.00 0.00 39.34 39.69 1x5c n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1x5c h LYS 55 N 1.02 0.08 -0.21 -0.72 2.10 -0.83 -3.23 116.57 114.77 1x5c h LYS 55 Ca -0.05 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.48 1x5c h LYS 55 Cb 1.22 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1x5c h LYS 55 CO 0.03 0.84 -0.02 -0.40 -2.00 0.00 0.00 179.45 177.90 1x5c n ASP 56 N -3.64 3.28 -3.09 7.07 5.75 -1.26 -4.99 116.55 119.67 1x5c n ASP 56 Ca -0.02 -3.18 -0.16 0.00 -0.01 0.00 0.00 54.79 51.43 1x5c n ASP 56 Cb 0.77 -0.54 0.15 0.00 -1.03 0.00 0.00 41.12 40.47 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1x5c n HIS 57 N -0.83 -3.17 -0.12 2.11 -0.00 -1.22 -5.02 115.22 106.97 1x5c n HIS 57 Ca 0.22 -0.47 -0.25 0.00 0.46 0.00 0.00 57.72 57.68 1x5c n HIS 57 Cb 0.86 -0.64 -0.09 0.00 -0.12 0.00 0.00 29.99 30.01 1x5c n HIS 57 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1x5c n GLU 58 N -3.71 0.51 -0.00 1.57 0.28 -1.26 -4.79 120.64 113.23 1x5c n GLU 58 Ca 0.08 0.21 0.01 0.00 -0.16 0.00 0.00 57.16 57.30 1x5c n GLU 58 Cb 0.32 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1x5c n ASN 59 N -3.98 4.23 -4.54 -1.84 0.23 -1.26 -4.94 115.26 103.16 1x5c n ASN 59 Ca -0.46 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.16 1x5c n ASN 59 Cb 0.84 1.07 -0.05 0.00 -2.08 0.00 0.00 39.78 39.55 1x5c n ASN 59 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1x5c s ILE 60 N -2.21 4.67 -0.25 1.53 1.01 -1.25 0.18 121.20 124.88 1x5c s ILE 60 Ca -0.01 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1x5c s ILE 60 Cb 0.02 -4.31 0.07 0.00 0.01 0.00 0.00 42.46 38.25 1x5c s ILE 60 CO 0.14 -0.70 -0.04 -0.69 0.00 0.00 0.00 174.94 173.65 1x5c s VAL 61 N 3.24 1.58 0.20 2.92 1.01 -0.16 -4.22 120.40 124.97 1x5c s VAL 61 Ca 0.29 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1x5c s VAL 61 Cb -0.12 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 1x5c s VAL 61 CO 0.22 -0.17 0.95 -0.63 0.00 0.00 0.00 175.10 175.47 1x5c s ILE 62 N 1.36 4.20 0.03 2.22 -1.09 -1.26 -1.63 121.20 125.03 1x5c s ILE 62 Ca -0.04 2.08 -0.14 0.00 -2.23 0.00 0.00 60.65 60.32 1x5c s ILE 62 Cb -0.19 -4.33 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1x5c s ILE 62 CO -0.07 0.44 0.30 0.00 -1.23 0.00 0.00 174.94 174.37 1x5c s ALA 63 N -0.80 -0.69 0.04 9.38 0.00 -0.83 -1.78 121.76 127.08 1x5c s ALA 63 Ca 0.43 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1x5c s ALA 63 Cb -0.25 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1x5c s ALA 63 CO 0.31 -0.37 -0.16 -1.59 0.00 0.00 0.00 175.76 173.96 1x5c s LYS 64 N -2.23 1.07 -0.01 0.00 -2.85 0.11 -2.01 119.74 113.83 1x5c s LYS 64 Ca -0.07 -0.81 -0.03 0.00 -1.00 0.00 0.00 55.97 54.05 1x5c s LYS 64 Cb -0.02 -1.11 -0.00 0.00 -2.06 0.00 0.00 37.83 34.64 1x5c s LYS 64 CO -0.01 0.28 0.07 1.41 0.10 0.00 0.00 175.35 177.19 1x5c s MET 65 N -1.14 0.28 -0.56 1.78 1.75 -0.89 -0.46 119.30 120.05 1x5c s MET 65 Ca 0.03 -0.26 -0.19 0.00 -1.25 0.00 0.00 55.69 54.02 1x5c s MET 65 Cb -0.08 0.11 0.08 0.00 2.84 0.00 0.00 34.83 37.79 1x5c s MET 65 CO 0.01 -0.06 0.68 0.34 -0.65 0.00 0.00 175.02 175.35 1x5c s ASP 66 N -0.85 6.20 0.55 1.11 -1.08 -1.26 -2.41 116.67 118.92 1x5c s ASP 66 Ca -0.09 -1.22 0.24 0.00 -0.52 0.00 0.00 52.55 50.96 1x5c s ASP 66 Cb -0.06 -2.30 1.54 0.00 -1.46 0.00 0.00 42.92 40.64 1x5c s ASP 66 CO 0.00 -1.04 2.17 -1.28 0.52 0.00 0.00 175.17 175.54 1x5c h SER 67 N 9.12 0.00 1.43 -0.34 0.87 -1.69 0.86 113.55 123.80 1x5c h SER 67 Ca -0.29 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.18 1x5c h SER 67 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1x5c h SER 67 CO 1.05 0.04 -0.59 0.71 -0.53 0.00 0.00 176.83 177.51 1x5c h THR 68 N 0.00 0.63 0.00 2.23 1.35 -1.91 -3.30 112.91 111.91 1x5c h THR 68 Ca -0.00 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1x5c h THR 68 Cb 0.10 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1x5c h THR 68 CO 0.01 0.36 -1.69 0.00 -0.25 0.00 0.00 175.52 173.94 1x5c n ALA 69 N -2.23 3.33 -3.00 6.62 0.00 -0.36 -4.95 120.51 119.92 1x5c n ALA 69 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 1x5c n ALA 69 Cb 0.71 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 1x5c n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x5c s ASN 70 N -4.12 -0.10 0.02 0.00 0.01 0.29 -4.92 114.94 106.11 1x5c s ASN 70 Ca -0.03 0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.39 1x5c s ASN 70 Cb 0.14 0.20 -0.02 0.00 0.41 0.00 0.00 41.25 41.98 1x5c s ASN 70 CO 0.89 -0.04 -0.20 -0.70 -1.51 0.00 0.00 177.10 175.55 1x5c s GLU 71 N 0.09 1.45 -0.02 -0.60 -6.30 -1.26 -4.07 118.70 107.99 1x5c s GLU 71 Ca -0.00 -0.83 -0.07 0.00 -2.50 0.00 0.00 54.97 51.56 1x5c s GLU 71 Cb -0.01 -1.49 0.01 0.00 0.00 0.00 0.00 34.13 32.64 1x5c s GLU 71 CO -0.00 0.39 0.15 0.14 0.02 0.00 0.00 175.26 175.96 1x5c s VAL 72 N -0.66 0.06 0.01 3.70 -7.23 -1.26 -4.89 120.40 110.13 1x5c s VAL 72 Ca 0.07 -0.47 0.14 0.00 -1.81 0.00 0.00 61.98 59.91 1x5c s VAL 72 Cb -0.08 -0.37 0.01 0.00 0.56 0.00 0.00 36.38 36.49 1x5c s VAL 72 CO 0.01 -0.26 1.48 1.05 -0.31 0.00 0.00 175.10 177.07 1x5c h GLU 73 N 4.79 0.00 0.00 4.82 -0.00 -2.01 -3.12 114.58 119.06 1x5c h GLU 73 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1x5c h GLU 73 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1x5c h GLU 73 CO 0.40 0.60 0.00 0.00 -0.00 0.00 0.00 179.01 180.02 1x5c h ALA 74 N 1.40 1.00 -2.04 1.06 0.00 -2.00 -3.40 119.26 115.28 1x5c h ALA 74 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1x5c h ALA 74 Cb 1.35 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.87 1x5c h ALA 74 CO 0.08 0.00 -0.38 0.08 0.00 0.00 0.00 179.25 179.03 1x5c s VAL 75 N -3.87 -0.71 -0.45 0.00 1.01 -1.18 -5.04 120.40 110.16 1x5c s VAL 75 Ca -0.02 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1x5c s VAL 75 Cb 0.11 -0.79 0.08 0.00 0.00 0.00 0.00 36.38 35.77 1x5c s VAL 75 CO 0.44 -0.02 0.34 -0.54 0.00 0.00 0.00 175.10 175.32 1x5c s LYS 76 N 2.65 2.80 -0.25 2.72 -0.14 -1.26 -4.28 119.74 121.98 1x5c s LYS 76 Ca 0.06 -1.43 -0.11 0.00 -1.36 0.00 0.00 55.97 53.13 1x5c s LYS 76 Cb -0.14 -3.98 -0.05 0.00 -1.68 0.00 0.00 37.83 31.98 1x5c s LYS 76 CO -0.15 -1.02 0.19 0.08 -0.76 0.00 0.00 175.35 173.69 1x5c s VAL 77 N 1.54 5.33 -0.23 3.17 1.01 -1.26 -4.93 120.40 125.03 1x5c s VAL 77 Ca 0.04 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1x5c s VAL 77 Cb -0.24 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1x5c s VAL 77 CO 0.04 0.31 0.25 1.41 0.00 0.00 0.00 175.10 177.11 1x5c n HIS 78 N 4.56 0.00 -4.42 5.22 -0.00 -1.26 -5.04 115.22 114.28 1x5c n HIS 78 Ca -0.14 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.37 1x5c n HIS 78 Cb 0.52 -0.04 -0.10 0.00 -0.00 0.00 0.00 29.99 30.36 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5c s SER 79 N -1.95 2.39 -0.02 0.41 1.04 -1.26 -5.17 113.70 109.15 1x5c s SER 79 Ca 0.01 -1.28 -0.29 0.00 0.48 0.00 0.00 55.95 54.86 1x5c s SER 79 Cb 0.05 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.14 1x5c s SER 79 CO 0.28 -0.50 0.66 -0.36 0.98 0.00 0.00 173.24 174.29 1x5c s PHE 80 N -3.23 -0.63 0.40 5.02 0.08 -1.26 -4.06 117.98 114.30 1x5c s PHE 80 Ca 0.33 0.98 -0.25 0.00 0.12 0.00 0.00 56.93 58.11 1x5c s PHE 80 Cb 0.07 0.43 -0.08 0.00 -0.57 0.00 0.00 43.02 42.86 1x5c s PHE 80 CO 0.13 -0.64 1.19 -1.25 -0.10 0.00 0.00 175.22 174.54 1x5c s PRO 81 N -1.60 4.04 -0.16 0.24 0.04 -1.26 -4.90 135.00 131.40 1x5c s PRO 81 Ca -0.09 1.88 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1x5c s PRO 81 Cb -0.00 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.87 1x5c s PRO 81 CO 0.06 -0.35 -0.21 0.99 0.04 0.00 0.00 177.00 177.54 1x5c s THR 82 N -1.39 2.08 -0.11 1.26 2.01 -0.41 -5.03 115.64 114.05 1x5c s THR 82 Ca 0.57 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1x5c s THR 82 Cb -0.32 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1x5c s THR 82 CO 0.40 0.54 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.96 1x5c s LEU 83 N 1.04 2.62 -0.05 4.42 1.43 -1.26 0.58 118.68 127.46 1x5c s LEU 83 Ca -0.01 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1x5c s LEU 83 Cb -0.14 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1x5c s LEU 83 CO -0.07 0.20 -0.01 -0.54 0.23 0.00 0.00 176.35 176.16 1x5c s LYS 84 N 0.11 0.60 -0.20 1.70 1.02 -1.11 -2.74 119.74 119.12 1x5c s LYS 84 Ca -0.07 0.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 1x5c s LYS 84 Cb -0.15 -0.82 -0.03 0.00 -0.52 0.00 0.00 37.83 36.30 1x5c s LYS 84 CO 0.05 -0.20 0.47 0.12 -0.92 0.00 0.00 175.35 174.87 1x5c s PHE 85 N 1.45 3.37 -0.47 3.18 5.36 0.84 -2.01 117.98 129.70 1x5c s PHE 85 Ca -0.03 0.71 -0.15 0.00 -0.96 0.00 0.00 56.93 56.49 1x5c s PHE 85 Cb -0.13 -2.61 0.07 0.00 -0.34 0.00 0.00 43.02 40.01 1x5c s PHE 85 CO -0.03 -0.06 0.40 -0.06 -1.46 0.00 0.00 175.22 174.01 1x5c s PHE 86 N 1.50 3.25 0.98 10.12 0.08 0.50 0.09 117.98 134.50 1x5c s PHE 86 Ca 0.22 -0.93 -0.12 0.00 0.12 0.00 0.00 56.93 56.21 1x5c s PHE 86 Cb -0.15 -3.18 0.18 0.00 -0.57 0.00 0.00 43.02 39.30 1x5c s PHE 86 CO 0.09 -0.80 1.09 -1.25 -0.10 0.00 0.00 175.22 174.25 1x5c s PRO 87 N 1.64 0.55 -1.18 0.24 0.04 -1.26 -1.45 135.00 133.58 1x5c s PRO 87 Ca 0.04 0.57 -0.08 0.00 0.04 0.00 0.00 61.00 61.57 1x5c s PRO 87 Cb -0.24 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1x5c s PRO 87 CO 0.07 -2.66 2.67 0.00 0.04 0.00 0.00 177.00 177.11 1x5c n ALA 88 N -4.13 6.29 -2.42 8.56 0.00 -1.25 -4.76 120.51 122.79 1x5c n ALA 88 Ca 0.05 -2.73 -0.30 0.00 0.00 0.00 0.00 53.44 50.46 1x5c n ALA 88 Cb 0.57 -3.12 -0.13 0.00 0.00 0.00 0.00 19.45 16.77 1x5c n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5c s SER 89 N 2.62 3.54 -0.20 0.00 0.15 -1.26 -4.04 113.70 114.51 1x5c s SER 89 Ca 0.57 -0.55 0.09 0.00 0.70 0.00 0.00 55.95 56.75 1x5c s SER 89 Cb 0.16 -0.43 0.57 0.00 -1.71 0.00 0.00 66.02 64.60 1x5c s SER 89 CO -0.04 0.23 1.44 0.00 1.20 0.00 0.00 173.24 176.06 1x5c n ALA 90 N 1.39 3.70 -2.16 5.45 0.00 -1.26 -4.24 120.51 123.39 1x5c n ALA 90 Ca -0.17 -1.48 -0.25 0.00 0.00 0.00 0.00 53.44 51.54 1x5c n ALA 90 Cb 0.52 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.86 1x5c n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x5c n ASP 91 N 0.25 4.89 -3.07 0.00 8.00 -1.26 -4.93 116.55 120.44 1x5c n ASP 91 Ca 0.24 -3.74 -0.19 0.00 0.71 0.00 0.00 54.79 51.81 1x5c n ASP 91 Cb 1.00 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 1x5c n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x5c n ARG 92 N -0.64 -1.53 -2.17 -1.24 5.12 -1.26 -4.80 116.66 110.13 1x5c n ARG 92 Ca 0.43 0.06 -0.39 0.00 -1.93 0.00 0.00 57.85 56.02 1x5c n ARG 92 Cb 0.86 -3.56 -0.01 0.00 -1.16 0.00 0.00 32.46 28.59 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1x5c s THR 93 N -2.22 2.88 -0.02 0.55 2.01 -1.26 -5.04 115.64 112.54 1x5c s THR 93 Ca 0.37 0.78 0.01 0.00 0.31 0.00 0.00 61.69 63.16 1x5c s THR 93 Cb -0.21 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1x5c s THR 93 CO 0.45 0.11 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 1x5c s VAL 94 N -1.30 0.28 -0.09 3.82 1.01 -1.26 -4.23 120.40 118.63 1x5c s VAL 94 Ca 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 1x5c s VAL 94 Cb -0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1x5c s VAL 94 CO 0.45 0.12 -0.04 -0.63 0.00 0.00 0.00 175.10 175.00 1x5c s ILE 95 N 0.40 3.94 -0.05 2.22 1.01 0.11 -4.95 121.20 123.88 1x5c s ILE 95 Ca -0.04 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 1x5c s ILE 95 Cb -0.07 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1x5c s ILE 95 CO -0.01 0.58 0.68 -1.81 0.00 0.00 0.00 174.94 174.39 1x5c s ASP 96 N -0.62 6.99 -0.41 3.58 1.11 -1.26 -0.11 116.67 125.95 1x5c s ASP 96 Ca 0.10 1.19 -0.18 0.00 0.18 0.00 0.00 52.55 53.84 1x5c s ASP 96 Cb -0.12 -2.41 0.02 0.00 1.07 0.00 0.00 42.92 41.48 1x5c s ASP 96 CO 0.02 -0.07 0.49 -0.47 1.18 0.00 0.00 175.17 176.32 1x5c s TYR 97 N 0.60 3.15 -0.54 4.23 6.14 -1.11 -4.91 117.35 124.92 1x5c s TYR 97 Ca 0.36 -0.20 0.07 0.00 0.64 0.00 0.00 57.07 57.94 1x5c s TYR 97 Cb -0.18 -3.00 0.26 0.00 0.42 0.00 0.00 41.96 39.46 1x5c s TYR 97 CO 0.18 -0.71 0.67 0.09 0.64 0.00 0.00 175.55 176.42 1x5c n ASN 98 N 5.77 2.38 0.00 4.32 3.02 -1.26 -4.78 115.26 124.71 1x5c n ASN 98 Ca -0.06 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1x5c n ASN 98 Cb 0.48 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5c n GLY 99 N 1.00 5.28 0.23 7.41 0.00 -1.26 -5.01 105.19 112.84 1x5c n GLY 99 Ca 0.27 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.85 1x5c n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5c h GLU 100 N 0.00 0.00 -4.39 1.61 4.11 -1.97 -3.46 114.58 110.47 1x5c h GLU 100 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 1x5c h GLU 100 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 1x5c h GLU 100 CO 0.00 0.16 -0.49 -2.13 0.07 0.00 0.00 179.01 176.62 1x5c n ARG 101 N -4.31 -5.25 -4.52 1.06 0.63 -1.26 -5.03 116.66 97.98 1x5c n ARG 101 Ca -0.02 0.58 -0.25 0.00 -0.92 0.00 0.00 57.85 57.23 1x5c n ARG 101 Cb 0.23 -4.83 -0.11 0.00 0.45 0.00 0.00 32.46 28.20 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5c s THR 102 N -3.23 1.86 0.13 5.15 -4.23 -1.26 -4.99 115.64 109.07 1x5c s THR 102 Ca 0.29 -2.09 -0.22 0.00 -1.18 0.00 0.00 61.69 58.48 1x5c s THR 102 Cb -0.13 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1x5c s THR 102 CO 0.50 -0.14 1.68 0.25 -0.54 0.00 0.00 174.62 176.37 1x5c h LEU 103 N 2.03 -0.41 -0.90 4.79 5.85 -1.96 0.14 115.31 124.85 1x5c h LEU 103 Ca -0.42 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 1x5c h LEU 103 Cb 1.24 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1x5c h LEU 103 CO 0.73 -0.18 -0.50 0.44 -0.34 0.00 0.00 178.44 178.59 1x5c h ASP 104 N -0.17 0.14 -0.53 1.25 5.19 -1.97 -3.11 116.42 117.23 1x5c h ASP 104 Ca 0.08 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.31 1x5c h ASP 104 Cb 0.29 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1x5c h ASP 104 CO -0.21 0.62 -0.11 1.23 -3.12 0.00 0.00 179.24 177.65 1x5c h GLY 105 N 1.42 1.09 1.00 2.75 0.00 -1.76 -3.10 103.07 104.47 1x5c h GLY 105 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 1x5c h GLY 105 CO 0.07 0.81 0.35 0.74 0.00 0.00 0.00 176.54 178.52 1x5c h PHE 106 N 0.88 0.79 -0.68 5.60 0.04 -0.68 -2.59 116.94 120.30 1x5c h PHE 106 Ca 0.14 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.01 1x5c h PHE 106 Cb 0.67 -0.26 -0.08 0.00 2.20 0.00 0.00 35.95 38.48 1x5c h PHE 106 CO 0.05 0.55 0.28 0.87 -0.60 0.00 0.00 178.31 179.45 1x5c h LYS 107 N 0.81 0.45 -0.84 1.51 1.57 -1.50 0.86 116.57 119.43 1x5c h LYS 107 Ca 0.21 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1x5c h LYS 107 Cb -0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1x5c h LYS 107 CO -0.04 0.30 0.43 0.87 -0.57 0.00 0.00 179.45 180.44 1x5c h LYS 108 N 0.46 1.19 -0.39 3.15 1.57 -1.42 0.34 116.57 121.47 1x5c h LYS 108 Ca 0.35 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1x5c h LYS 108 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1x5c h LYS 108 CO -0.33 0.90 -0.01 0.35 -0.57 0.00 0.00 179.45 179.78 1x5c h PHE 109 N 1.19 0.77 0.45 -1.35 3.04 -0.81 -2.61 116.94 117.61 1x5c h PHE 109 Ca 0.29 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1x5c h PHE 109 Cb 0.07 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1x5c h PHE 109 CO 0.01 0.79 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.81 1x5c h LEU 110 N 0.53 -0.51 -1.15 0.59 3.38 -0.62 -1.52 115.31 116.01 1x5c h LEU 110 Ca 0.11 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.49 1x5c h LEU 110 Cb 0.49 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 1x5c h LEU 110 CO 0.02 -0.10 0.66 -0.33 0.09 0.00 0.00 178.44 178.79 1x5c h GLU 111 N -1.14 0.12 -0.42 1.13 5.08 -0.43 0.94 114.58 119.87 1x5c h GLU 111 Ca -0.06 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1x5c h GLU 111 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1x5c h GLU 111 CO 0.10 0.08 -0.18 0.77 -1.00 0.00 0.00 179.01 178.78 1x5c h SER 112 N 0.13 0.88 0.00 1.42 0.02 -1.48 -3.48 113.55 111.04 1x5c h SER 112 Ca 0.80 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1x5c h SER 112 Cb 2.20 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1x5c h SER 112 CO -0.59 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 1x5c n GLY 113 N -0.10 1.29 2.55 -3.77 0.00 0.32 -4.73 105.19 100.75 1x5c n GLY 113 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1x5c n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5c n GLY 114 N -0.07 0.13 3.64 -0.02 0.00 -0.59 -5.00 105.19 103.29 1x5c n GLY 114 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1x5c n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5c s GLN 115 N -5.51 4.14 0.30 1.61 -1.52 -1.26 -5.06 119.66 112.35 1x5c s GLN 115 Ca 0.25 0.51 0.08 0.00 -1.95 0.00 0.00 55.36 54.25 1x5c s GLN 115 Cb -0.11 -3.62 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 1x5c s GLN 115 CO 0.39 -0.32 0.14 -1.54 -0.25 0.00 0.00 175.29 173.70 1x5c s SER 116 N 1.37 4.96 -0.03 5.90 1.04 -1.26 -4.97 113.70 120.71 1x5c s SER 116 Ca 0.26 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 56.19 1x5c s SER 116 Cb -0.16 -0.98 -0.02 0.00 0.10 0.00 0.00 66.02 64.97 1x5c s SER 116 CO 0.09 -0.15 -0.23 -0.83 0.98 0.00 0.00 173.24 173.10 1x5c s GLY 117 N -3.82 1.35 0.98 7.32 0.00 -1.26 -5.13 107.32 106.75 1x5c s GLY 117 Ca 0.35 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.88 1x5c s GLY 117 CO 0.23 -0.86 1.09 2.56 0.00 0.00 0.00 173.10 176.12 1x5c s PRO 118 N -0.61 0.59 0.04 2.90 0.04 -1.26 -5.05 135.00 131.66 1x5c s PRO 118 Ca 0.09 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1x5c s PRO 118 Cb -0.10 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x5c s PRO 118 CO -0.00 -2.64 0.19 0.45 0.04 0.00 0.00 177.00 175.04 1x5c s SER 119 N -3.44 6.28 0.28 6.66 0.15 -1.26 -5.12 113.70 117.26 1x5c s SER 119 Ca 0.65 0.27 0.11 0.00 0.70 0.00 0.00 55.95 57.67 1x5c s SER 119 Cb -0.18 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.15 1x5c s SER 119 CO 0.57 0.20 -0.09 -0.94 1.20 0.00 0.00 173.24 174.18 1x5c s SER 120 N -2.33 4.07 0.00 5.45 1.04 -1.26 -5.37 113.70 115.30 1x5c s SER 120 Ca 0.32 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1x5c s SER 120 Cb -0.13 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1x5c s SER 120 CO 0.25 -0.02 0.01 0.61 0.98 0.00 0.00 173.24 175.07