#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c s SER 2 N 0.00 5.90 -1.88 1.61 0.15 -1.26 -4.13 113.70 114.09 1x5c s SER 2 Ca 0.00 -1.02 -0.23 0.00 0.70 0.00 0.00 55.95 55.40 1x5c s SER 2 Cb 0.00 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 61.98 1x5c s SER 2 CO 0.00 -2.04 0.61 -1.54 1.20 0.00 0.00 173.24 171.46 1x5c n SER 3 N 11.06 -1.91 -2.67 5.45 3.41 -1.26 -4.81 113.62 122.88 1x5c n SER 3 Ca 0.34 -1.23 -0.32 0.00 -0.26 0.00 0.00 58.87 57.39 1x5c n SER 3 Cb 0.49 -1.68 0.01 0.00 -0.26 0.00 0.00 64.21 62.78 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 -1.09 5.83 0.33 5.00 0.00 -1.26 -4.85 105.19 109.15 1x5c n GLY 4 Ca 0.11 -2.66 -0.05 0.00 0.00 0.00 0.00 46.02 43.42 1x5c n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5c h SER 5 N 2.77 -1.07 -3.69 1.61 0.87 -1.91 -3.45 113.55 108.67 1x5c h SER 5 Ca 0.40 0.21 -0.39 0.00 -1.23 0.00 0.00 61.79 60.78 1x5c h SER 5 Cb 0.57 0.54 0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1x5c h SER 5 CO 1.07 -0.30 -0.55 -0.24 -0.53 0.00 0.00 176.83 176.28 1x5c n SER 6 N -5.43 -5.85 0.00 6.23 2.88 -1.26 -4.93 113.62 105.26 1x5c n SER 6 Ca 0.04 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1x5c n SER 6 Cb 0.35 -4.75 0.00 0.00 -0.75 0.00 0.00 64.21 59.06 1x5c n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5c n GLY 7 N -1.30 0.71 0.10 0.46 0.00 -1.26 -5.06 105.19 98.84 1x5c n GLY 7 Ca -0.16 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 0.21 -5.54 1.61 0.13 -1.91 -3.44 132.00 123.06 1x5c h PRO 8 Ca 0.00 -0.11 -0.68 0.00 -0.87 0.00 0.00 66.00 64.34 1x5c h PRO 8 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 1x5c h PRO 8 CO 0.00 0.64 -0.87 0.54 -0.23 0.00 0.00 178.00 178.08 1x5c s VAL 9 N -4.29 2.13 0.62 1.56 0.11 -1.26 -3.41 120.40 115.85 1x5c s VAL 9 Ca -0.15 -1.01 -0.18 0.00 -2.93 0.00 0.00 61.98 57.71 1x5c s VAL 9 Cb 0.04 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 1x5c s VAL 9 CO 0.72 0.56 1.21 -0.54 -3.33 0.00 0.00 175.10 173.72 1x5c s LYS 10 N 0.19 2.84 -0.33 1.54 1.02 -0.95 -4.79 119.74 119.25 1x5c s LYS 10 Ca -0.14 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1x5c s LYS 10 Cb -0.17 -1.91 0.08 0.00 -0.52 0.00 0.00 37.83 35.31 1x5c s LYS 10 CO 0.07 -1.31 0.04 0.08 -0.92 0.00 0.00 175.35 173.32 1x5c s VAL 11 N -1.66 2.75 0.34 3.17 1.01 -1.26 -0.01 120.40 124.74 1x5c s VAL 11 Ca 0.77 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1x5c s VAL 11 Cb -0.30 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1x5c s VAL 11 CO 0.35 -0.35 0.90 -0.76 0.00 0.00 0.00 175.10 175.24 1x5c s LEU 12 N 1.12 4.21 0.17 3.92 1.43 -0.30 -4.95 118.68 124.27 1x5c s LEU 12 Ca 0.01 1.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.88 1x5c s LEU 12 Cb -0.20 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1x5c s LEU 12 CO -0.04 -0.14 -0.15 0.68 0.23 0.00 0.00 176.35 176.93 1x5c s VAL 13 N -1.78 1.62 -1.01 -1.59 -7.23 -1.26 -4.48 120.40 104.66 1x5c s VAL 13 Ca 0.53 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1x5c s VAL 13 Cb -0.15 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.93 1x5c s VAL 13 CO 0.20 -0.52 1.09 0.61 -0.31 0.00 0.00 175.10 176.17 1x5c n GLY 14 N -0.04 -0.60 0.12 2.32 0.00 -1.26 0.24 105.19 105.98 1x5c n GLY 14 Ca -0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1x5c n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5c h LYS 15 N 0.00 0.21 -0.28 1.61 3.64 -1.95 -3.41 116.57 116.39 1x5c h LYS 15 Ca 0.00 -0.35 -0.24 0.00 -1.27 0.00 0.00 60.65 58.79 1x5c h LYS 15 Cb 0.05 0.13 -0.33 0.00 -0.41 0.00 0.00 32.23 31.67 1x5c h LYS 15 CO 0.00 1.17 -0.93 0.27 -2.27 0.00 0.00 179.45 177.69 1x5c n ASN 16 N -3.95 2.03 0.14 4.20 6.94 -0.85 -4.92 115.26 118.85 1x5c n ASN 16 Ca -0.27 -2.66 -0.05 0.00 -0.02 0.00 0.00 54.58 51.59 1x5c n ASN 16 Cb 0.88 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.87 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 1.75 -0.32 -0.14 -2.53 3.57 0.29 -1.83 116.94 117.73 1x5c h PHE 17 Ca -0.05 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1x5c h PHE 17 Cb 1.47 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1x5c h PHE 17 CO 0.51 -0.20 0.16 0.93 -2.23 0.00 0.00 178.31 177.48 1x5c h GLU 18 N -0.35 0.00 -0.55 1.11 3.07 -1.91 0.78 114.58 116.72 1x5c h GLU 18 Ca -0.04 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1x5c h GLU 18 Cb 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1x5c h GLU 18 CO 0.06 0.00 0.06 0.22 -1.40 0.00 0.00 179.01 177.95 1x5c h ASP 19 N 0.00 0.90 0.00 1.42 3.58 -1.74 -2.53 116.42 118.05 1x5c h ASP 19 Ca 0.07 -0.27 -0.18 0.00 0.42 0.00 0.00 57.03 57.07 1x5c h ASP 19 Cb 0.38 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1x5c h ASP 19 CO -0.00 0.95 -1.40 0.52 -2.88 0.00 0.00 179.24 176.43 1x5c n VAL 20 N -4.33 1.50 0.09 2.25 0.31 -0.43 -4.65 118.33 113.06 1x5c n VAL 20 Ca 0.02 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1x5c n VAL 20 Cb 0.29 -2.17 -0.06 0.00 -0.91 0.00 0.00 33.84 30.99 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 -0.91 -0.85 -2.02 3.52 0.00 0.36 -3.38 119.26 115.98 1x5c h ALA 21 Ca -0.27 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 1x5c h ALA 21 Cb 1.13 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 1x5c h ALA 21 CO -0.16 -0.92 0.92 -0.06 0.00 0.00 0.00 179.25 179.03 1x5c s PHE 22 N -4.64 2.84 -0.13 0.00 0.08 -0.95 -4.61 117.98 110.57 1x5c s PHE 22 Ca -0.10 0.99 -0.10 0.00 0.12 0.00 0.00 56.93 57.85 1x5c s PHE 22 Cb 0.03 -3.72 0.04 0.00 -0.57 0.00 0.00 43.02 38.80 1x5c s PHE 22 CO 0.36 -1.49 0.33 0.34 -0.10 0.00 0.00 175.22 174.65 1x5c s ASP 23 N 2.30 -0.36 0.59 1.36 2.15 -1.26 -4.51 116.67 116.93 1x5c s ASP 23 Ca 0.53 0.68 -0.17 0.00 0.43 0.00 0.00 52.55 54.02 1x5c s ASP 23 Cb -0.17 0.64 -0.04 0.00 -0.30 0.00 0.00 42.92 43.05 1x5c s ASP 23 CO 0.18 -0.14 1.10 -0.70 -0.17 0.00 0.00 175.17 175.44 1x5c s GLU 24 N 0.59 3.20 -1.30 4.34 2.12 -1.26 -3.27 118.70 123.13 1x5c s GLU 24 Ca -0.03 1.42 -0.07 0.00 0.36 0.00 0.00 54.97 56.65 1x5c s GLU 24 Cb -0.05 -2.00 0.05 0.00 0.26 0.00 0.00 34.13 32.39 1x5c s GLU 24 CO -0.04 -0.93 0.43 1.63 -0.54 0.00 0.00 175.26 175.81 1x5c n LYS 25 N -1.80 -3.51 -3.66 4.30 4.76 -1.26 -4.93 118.16 112.06 1x5c n LYS 25 Ca 0.10 0.58 -0.07 0.00 -2.87 0.00 0.00 58.31 56.06 1x5c n LYS 25 Cb 0.52 -5.30 -0.08 0.00 -1.84 0.00 0.00 35.03 28.32 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 -5.78 0.44 -0.88 1.97 2.47 -1.20 -4.85 119.74 111.90 1x5c s LYS 26 Ca 0.31 1.10 -0.19 0.00 -1.56 0.00 0.00 55.97 55.64 1x5c s LYS 26 Cb -0.16 0.35 0.13 0.00 -1.46 0.00 0.00 37.83 36.69 1x5c s LYS 26 CO 0.39 -0.21 1.07 -0.80 0.16 0.00 0.00 175.35 175.96 1x5c s ASN 27 N 2.30 6.57 -0.10 1.43 0.01 0.24 -4.05 114.94 121.35 1x5c s ASN 27 Ca -0.05 -1.96 -0.17 0.00 -0.71 0.00 0.00 52.86 49.97 1x5c s ASN 27 Cb -0.10 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1x5c s ASN 27 CO -0.15 -1.07 0.45 -0.69 -1.51 0.00 0.00 177.10 174.13 1x5c s VAL 28 N 2.66 5.17 -0.44 1.60 1.01 -0.71 -1.49 120.40 128.20 1x5c s VAL 28 Ca 0.30 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 1x5c s VAL 28 Cb -0.07 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1x5c s VAL 28 CO -0.07 0.37 0.26 0.12 0.00 0.00 0.00 175.10 175.79 1x5c s PHE 29 N 0.33 3.53 0.48 5.22 5.36 0.45 0.18 117.98 133.53 1x5c s PHE 29 Ca 0.25 -2.25 -0.12 0.00 -0.96 0.00 0.00 56.93 53.84 1x5c s PHE 29 Cb -0.15 -3.32 -0.06 0.00 -0.34 0.00 0.00 43.02 39.14 1x5c s PHE 29 CO 0.10 -0.98 0.89 0.08 -1.46 0.00 0.00 175.22 173.86 1x5c s VAL 30 N 1.17 4.69 -0.26 3.12 1.01 -0.72 -2.03 120.40 127.38 1x5c s VAL 30 Ca 0.08 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 1x5c s VAL 30 Cb -0.24 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1x5c s VAL 30 CO -0.03 -0.70 0.08 -0.70 0.00 0.00 0.00 175.10 173.75 1x5c s GLU 31 N -4.19 0.51 -0.75 2.72 2.12 -0.68 -2.10 118.70 116.32 1x5c s GLU 31 Ca 0.54 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 54.96 1x5c s GLU 31 Cb -0.10 -1.81 0.03 0.00 0.26 0.00 0.00 34.13 32.51 1x5c s GLU 31 CO 0.36 -0.86 1.27 -0.06 -0.54 0.00 0.00 175.26 175.43 1x5c s PHE 32 N 1.86 2.33 0.46 5.30 0.08 0.33 -2.44 117.98 125.89 1x5c s PHE 32 Ca 0.05 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.04 1x5c s PHE 32 Cb -0.17 -4.61 0.00 0.00 -0.57 0.00 0.00 43.02 37.67 1x5c s PHE 32 CO -0.21 -2.04 0.41 1.52 -0.10 0.00 0.00 175.22 174.80 1x5c s TYR 33 N 5.57 2.37 -0.03 0.36 -0.85 -1.14 -0.60 117.35 123.02 1x5c s TYR 33 Ca 0.35 -0.59 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1x5c s TYR 33 Cb -0.08 -2.12 -0.00 0.00 0.38 0.00 0.00 41.96 40.14 1x5c s TYR 33 CO 0.13 -0.28 -0.14 0.00 -1.52 0.00 0.00 175.55 173.74 1x5c s ALA 34 N -2.56 1.27 -1.42 9.51 0.00 -1.26 -3.31 121.76 123.99 1x5c s ALA 34 Ca 0.46 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.00 1x5c s ALA 34 Cb -0.03 -0.42 0.74 0.00 0.00 0.00 0.00 23.12 23.42 1x5c s ALA 34 CO 0.27 0.24 1.41 -0.35 0.00 0.00 0.00 175.76 177.33 1x5c n PRO 35 N 3.12 0.20 -0.01 0.00 -0.04 -1.26 -2.81 135.00 134.20 1x5c n PRO 35 Ca -0.17 0.15 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1x5c n PRO 35 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.29 0.00 -1.58 0.54 4.27 -1.26 -4.98 117.44 113.14 1x5c n TRP 36 Ca 0.07 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.27 1x5c n TRP 36 Cb 0.12 -0.10 -0.03 0.00 -1.36 0.00 0.00 31.31 29.94 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 16.76 1.77 1.02 0.00 0.00 -1.94 0.28 103.07 120.96 1x5c h GLY 38 Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1x5c h GLY 38 CO 1.03 -0.27 0.62 0.45 0.00 0.00 0.00 176.54 178.36 1x5c h HIS 39 N 0.48 1.26 -0.30 5.60 3.86 -1.92 -2.70 115.15 121.42 1x5c h HIS 39 Ca 0.66 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.91 1x5c h HIS 39 Cb 1.42 -0.42 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 1x5c h HIS 39 CO -0.01 0.82 0.11 0.00 0.86 0.00 0.00 177.93 179.71 1x5c h LYS 41 N 0.25 0.00 0.00 0.00 1.57 -1.29 1.59 116.57 118.69 1x5c h LYS 41 Ca 0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.72 1x5c h LYS 41 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1x5c h LYS 41 CO -0.13 0.00 -1.36 1.96 -0.57 0.00 0.00 179.45 179.35 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.30 -3.32 115.11 114.71 1x5c h GLN 42 Ca 0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1x5c h GLN 42 Cb 2.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.80 1x5c h GLN 42 CO -0.01 0.42 -0.12 1.25 -0.95 0.00 0.00 178.83 179.42 1x5c h LEU 43 N 0.00 0.00 -0.21 1.46 5.85 0.25 -3.31 115.31 119.35 1x5c h LEU 43 Ca -0.17 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1x5c h LEU 43 Cb 1.69 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.65 1x5c h LEU 43 CO 0.06 0.00 -0.30 0.00 -0.34 0.00 0.00 178.44 177.87 1x5c h ALA 44 N 2.15 -0.27 -0.03 1.25 0.00 -0.91 0.50 119.26 121.95 1x5c h ALA 44 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x5c h ALA 44 Cb 0.93 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1x5c h ALA 44 CO 0.00 -0.75 -0.03 -1.00 0.00 0.00 0.00 179.25 177.47 1x5c h PRO 45 N -0.33 0.08 -0.99 0.00 0.13 -1.79 -1.94 132.00 127.16 1x5c h PRO 45 Ca 0.12 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.29 1x5c h PRO 45 Cb 0.52 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.58 1x5c h PRO 45 CO -0.39 0.54 0.64 0.82 -0.23 0.00 0.00 178.00 179.37 1x5c h ILE 46 N -0.39 1.05 -0.16 -3.56 2.04 -1.61 0.15 117.51 115.03 1x5c h ILE 46 Ca 0.01 -0.38 -0.16 0.00 1.00 0.00 0.00 64.86 65.32 1x5c h ILE 46 Cb 0.53 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1x5c h ILE 46 CO 0.01 0.20 -0.58 -0.25 0.00 0.00 0.00 178.15 177.53 1x5c h TRP 47 N 1.11 0.65 0.00 1.37 2.91 -0.01 -2.39 115.95 119.59 1x5c h TRP 47 Ca 0.44 -0.24 -0.11 0.00 1.13 0.00 0.00 58.89 60.11 1x5c h TRP 47 Cb 0.25 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 1x5c h TRP 47 CO -0.00 0.97 -0.54 0.22 -1.03 0.00 0.00 178.44 178.06 1x5c h ASP 48 N 0.39 0.00 1.04 2.65 1.82 -0.45 -1.29 116.42 120.57 1x5c h ASP 48 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 1x5c h ASP 48 Cb 1.12 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.11 1x5c h ASP 48 CO 0.11 0.54 -0.75 0.11 -1.61 0.00 0.00 179.24 177.64 1x5c h LYS 49 N 0.00 0.00 0.07 0.28 1.57 -0.62 -3.14 116.57 114.73 1x5c h LYS 49 Ca -0.01 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1x5c h LYS 49 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1x5c h LYS 49 CO 0.07 0.75 -1.42 1.25 -0.57 0.00 0.00 179.45 179.53 1x5c h LEU 50 N 0.00 0.23 -0.51 2.94 5.85 -1.29 -3.32 115.31 119.22 1x5c h LEU 50 Ca -0.01 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1x5c h LEU 50 Cb 1.47 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1x5c h LEU 50 CO 0.10 1.26 0.21 1.23 -0.34 0.00 0.00 178.44 180.89 1x5c h GLY 51 N 2.30 0.82 2.00 3.75 0.00 -1.29 -2.41 103.07 108.25 1x5c h GLY 51 Ca -0.19 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1x5c h GLY 51 CO 0.14 0.42 -0.09 1.05 0.00 0.00 0.00 176.54 178.06 1x5c h GLU 52 N 0.68 0.00 -0.42 4.80 4.11 -1.56 0.43 114.58 122.62 1x5c h GLU 52 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.49 1x5c h GLU 52 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1x5c h GLU 52 CO -0.01 0.09 -0.20 1.15 0.07 0.00 0.00 179.01 180.11 1x5c h THR 53 N 0.00 1.27 -0.36 -1.06 2.02 -1.53 -3.14 112.91 110.11 1x5c h THR 53 Ca -0.00 -1.31 -0.22 0.00 0.77 0.00 0.00 66.41 65.64 1x5c h THR 53 Cb 0.19 1.15 -0.15 0.00 -1.74 0.00 0.00 68.15 67.61 1x5c h THR 53 CO 0.01 0.44 -0.29 -1.22 0.37 0.00 0.00 175.52 174.84 1x5c n TYR 54 N -4.12 1.19 0.11 3.16 4.02 -0.81 -4.64 117.16 116.07 1x5c n TYR 54 Ca 0.00 -1.77 -0.02 0.00 -0.01 0.00 0.00 57.90 56.11 1x5c n TYR 54 Cb 0.42 -0.45 0.01 0.00 -0.02 0.00 0.00 39.34 39.31 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 1.27 0.00 -0.08 -0.72 2.10 -0.89 -3.27 116.57 114.97 1x5c h LYS 55 Ca 0.21 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.84 1x5c h LYS 55 Cb 1.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.73 1x5c h LYS 55 CO 0.41 0.71 -0.10 -0.25 -2.00 0.00 0.00 179.45 178.22 1x5c n ASP 56 N -3.36 2.53 -3.07 7.07 9.92 -1.26 -5.03 116.55 123.34 1x5c n ASP 56 Ca 0.01 -3.30 -0.15 0.00 -0.53 0.00 0.00 54.79 50.81 1x5c n ASP 56 Cb 0.79 -0.49 0.14 0.00 -0.64 0.00 0.00 41.12 40.91 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1x5c n HIS 57 N -1.18 -3.29 -0.12 1.24 -0.00 -1.23 -5.03 115.22 105.61 1x5c n HIS 57 Ca 0.19 -0.48 -0.24 0.00 0.46 0.00 0.00 57.72 57.65 1x5c n HIS 57 Cb 0.73 -0.60 -0.08 0.00 -0.12 0.00 0.00 29.99 29.92 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 -3.45 0.49 -0.01 1.57 0.28 -1.26 -4.82 120.64 113.44 1x5c n GLU 58 Ca 0.08 0.21 -0.01 0.00 -0.16 0.00 0.00 57.16 57.27 1x5c n GLU 58 Cb 0.30 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 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 -3.96 4.20 -4.62 -1.84 0.23 -1.26 -4.95 115.26 103.05 1x5c n ASN 59 Ca -0.45 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.17 1x5c n ASN 59 Cb 0.83 0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 39.18 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 -2.11 4.53 -0.10 1.53 1.01 -1.26 0.83 121.20 125.63 1x5c s ILE 60 Ca -0.02 1.49 -0.00 0.00 0.00 0.00 0.00 60.65 62.12 1x5c s ILE 60 Cb 0.01 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 38.12 1x5c s ILE 60 CO 0.13 -0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 173.79 1x5c s VAL 61 N 3.61 0.96 0.02 2.92 1.01 -0.55 -4.30 120.40 124.07 1x5c s VAL 61 Ca 0.42 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1x5c s VAL 61 Cb -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 1x5c s VAL 61 CO 0.17 0.35 0.48 -0.63 0.00 0.00 0.00 175.10 175.47 1x5c s ILE 62 N 1.60 4.93 -0.01 2.22 -1.09 -1.26 -0.41 121.20 127.19 1x5c s ILE 62 Ca 0.03 0.99 -0.14 0.00 -2.23 0.00 0.00 60.65 59.30 1x5c s ILE 62 Cb -0.13 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1x5c s ILE 62 CO -0.07 0.55 0.30 0.00 -1.23 0.00 0.00 174.94 174.49 1x5c s ALA 63 N -0.92 -0.76 0.00 9.38 0.00 -0.86 -2.25 121.76 126.35 1x5c s ALA 63 Ca 0.26 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1x5c s ALA 63 Cb -0.18 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1x5c s ALA 63 CO 0.15 -0.28 -0.19 -1.59 0.00 0.00 0.00 175.76 173.85 1x5c s LYS 64 N -1.47 1.48 -0.01 0.00 -2.85 0.99 -1.69 119.74 116.19 1x5c s LYS 64 Ca -0.13 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 1x5c s LYS 64 Cb -0.05 -1.47 0.01 0.00 -2.06 0.00 0.00 37.83 34.26 1x5c s LYS 64 CO 0.03 0.40 0.01 1.41 0.10 0.00 0.00 175.35 177.30 1x5c s MET 65 N -0.67 -0.00 -0.72 1.78 1.75 -1.02 -1.15 119.30 119.26 1x5c s MET 65 Ca 0.07 0.07 -0.23 0.00 -1.25 0.00 0.00 55.69 54.34 1x5c s MET 65 Cb -0.08 -0.10 0.06 0.00 2.84 0.00 0.00 34.83 37.55 1x5c s MET 65 CO 0.00 -0.06 1.08 0.34 -0.65 0.00 0.00 175.02 175.73 1x5c s ASP 66 N 0.40 6.23 0.59 1.11 2.15 -1.26 -2.90 116.67 122.99 1x5c s ASP 66 Ca -0.03 -0.98 0.30 0.00 0.43 0.00 0.00 52.55 52.27 1x5c s ASP 66 Cb -0.05 -2.46 1.85 0.00 -0.30 0.00 0.00 42.92 41.97 1x5c s ASP 66 CO -0.01 -1.51 2.26 -1.28 -0.17 0.00 0.00 175.17 174.46 1x5c h SER 67 N 9.63 0.00 1.92 -0.34 0.87 -1.70 0.94 113.55 124.87 1x5c h SER 67 Ca -0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1x5c h SER 67 Cb 1.06 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1x5c h SER 67 CO 1.21 0.00 -0.08 0.71 -0.53 0.00 0.00 176.83 178.14 1x5c h THR 68 N 0.00 0.13 0.00 2.23 1.35 -1.90 -3.28 112.91 111.45 1x5c h THR 68 Ca -0.00 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1x5c h THR 68 Cb 0.00 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1x5c h THR 68 CO 0.00 0.08 -1.24 0.00 -0.25 0.00 0.00 175.52 174.11 1x5c n ALA 69 N -2.12 2.92 -3.73 6.62 0.00 0.10 -4.96 120.51 119.35 1x5c n ALA 69 Ca 0.04 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.98 1x5c n ALA 69 Cb 0.56 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.05 0.31 -0.07 0.00 0.01 0.30 -4.89 114.94 107.56 1x5c s ASN 70 Ca -0.01 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1x5c s ASN 70 Cb 0.09 -0.17 -0.01 0.00 0.41 0.00 0.00 41.25 41.57 1x5c s ASN 70 CO 0.54 -0.11 -0.24 -0.70 -1.51 0.00 0.00 177.10 175.09 1x5c s GLU 71 N 1.03 2.73 0.01 -0.60 2.12 -1.26 -4.08 118.70 118.65 1x5c s GLU 71 Ca -0.10 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.36 1x5c s GLU 71 Cb -0.13 -2.23 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 1x5c s GLU 71 CO -0.02 0.33 -0.03 0.14 -0.54 0.00 0.00 175.26 175.13 1x5c s VAL 72 N -0.02 0.24 0.17 3.70 -7.23 -1.26 -4.91 120.40 111.08 1x5c s VAL 72 Ca -0.08 -0.37 0.13 0.00 -1.81 0.00 0.00 61.98 59.85 1x5c s VAL 72 Cb -0.15 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.54 1x5c s VAL 72 CO 0.05 -0.09 1.57 1.05 -0.31 0.00 0.00 175.10 177.38 1x5c h GLU 73 N 5.64 0.00 0.00 4.82 -0.00 -2.01 -2.98 114.58 120.06 1x5c h GLU 73 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 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 0.48 0.59 0.00 0.00 -0.00 0.00 0.00 179.01 180.08 1x5c n ALA 74 N -2.35 1.16 -3.66 1.06 0.00 -1.26 -4.41 120.51 111.05 1x5c n ALA 74 Ca -0.00 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1x5c n ALA 74 Cb 0.65 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 1x5c n ALA 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5c s VAL 75 N -3.44 -0.55 -0.42 0.00 1.01 -1.12 -5.01 120.40 110.87 1x5c s VAL 75 Ca -0.01 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1x5c s VAL 75 Cb 0.06 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1x5c s VAL 75 CO 0.21 0.09 0.27 -0.54 0.00 0.00 0.00 175.10 175.13 1x5c s LYS 76 N 2.53 2.75 -0.24 2.72 -0.14 -1.26 -4.41 119.74 121.69 1x5c s LYS 76 Ca -0.00 -1.32 -0.08 0.00 -1.36 0.00 0.00 55.97 53.21 1x5c s LYS 76 Cb -0.12 -3.84 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 1x5c s LYS 76 CO -0.11 -0.89 0.08 0.08 -0.76 0.00 0.00 175.35 173.74 1x5c s VAL 77 N 1.51 4.42 -0.17 3.17 1.01 -1.26 -4.95 120.40 124.13 1x5c s VAL 77 Ca 0.03 -0.14 0.16 0.00 0.00 0.00 0.00 61.98 62.04 1x5c s VAL 77 Cb -0.22 -3.06 0.41 0.00 0.00 0.00 0.00 36.38 33.51 1x5c s VAL 77 CO 0.04 0.35 1.29 1.41 0.00 0.00 0.00 175.10 178.19 1x5c n HIS 78 N 4.77 0.47 -3.73 5.22 8.25 -1.26 -5.03 115.22 123.91 1x5c n HIS 78 Ca -0.16 -1.06 -0.02 0.00 -0.26 0.00 0.00 57.72 56.22 1x5c n HIS 78 Cb 0.52 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x5c s SER 79 N -2.53 -0.13 -0.05 0.41 1.04 -1.26 -5.19 113.70 105.99 1x5c s SER 79 Ca 0.38 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 1x5c s SER 79 Cb 0.32 0.40 0.09 0.00 0.10 0.00 0.00 66.02 66.93 1x5c s SER 79 CO 0.04 -0.75 0.77 -0.36 0.98 0.00 0.00 173.24 173.92 1x5c s PHE 80 N -2.98 -0.55 0.44 5.02 0.08 -1.26 -4.15 117.98 114.58 1x5c s PHE 80 Ca 0.14 0.85 -0.24 0.00 0.12 0.00 0.00 56.93 57.80 1x5c s PHE 80 Cb 0.00 0.44 -0.08 0.00 -0.57 0.00 0.00 43.02 42.82 1x5c s PHE 80 CO 0.01 -0.56 1.17 -1.25 -0.10 0.00 0.00 175.22 174.49 1x5c s PRO 81 N -1.57 3.87 -0.10 0.24 0.04 -1.26 -4.92 135.00 131.30 1x5c s PRO 81 Ca -0.06 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1x5c s PRO 81 Cb -0.00 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1x5c s PRO 81 CO 0.04 -0.47 -0.14 0.99 0.04 0.00 0.00 177.00 177.46 1x5c s THR 82 N -1.48 1.43 -0.05 1.26 2.01 0.23 -5.02 115.64 114.02 1x5c s THR 82 Ca 0.61 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1x5c s THR 82 Cb -0.30 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1x5c s THR 82 CO 0.37 0.43 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.85 1x5c s LEU 83 N 0.98 2.91 -0.04 4.42 1.43 -1.26 0.12 118.68 127.25 1x5c s LEU 83 Ca -0.07 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1x5c s LEU 83 Cb -0.15 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1x5c s LEU 83 CO -0.01 0.35 0.06 -0.54 0.23 0.00 0.00 176.35 176.44 1x5c s LYS 84 N -0.80 -0.05 -0.10 1.70 1.02 -0.89 -3.28 119.74 117.34 1x5c s LYS 84 Ca 0.12 0.33 -0.17 0.00 0.02 0.00 0.00 55.97 56.27 1x5c s LYS 84 Cb -0.11 -0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 36.78 1x5c s LYS 84 CO 0.01 -0.26 0.44 0.12 -0.92 0.00 0.00 175.35 174.73 1x5c s PHE 85 N 1.75 3.54 -0.37 3.18 2.19 0.11 -1.75 117.98 126.63 1x5c s PHE 85 Ca -0.01 0.86 -0.08 0.00 0.33 0.00 0.00 56.93 58.03 1x5c s PHE 85 Cb -0.12 -2.48 0.05 0.00 -1.31 0.00 0.00 43.02 39.16 1x5c s PHE 85 CO -0.03 0.26 0.18 -0.06 1.83 0.00 0.00 175.22 177.39 1x5c s PHE 86 N 0.31 3.28 0.91 10.12 0.08 0.13 0.49 117.98 133.30 1x5c s PHE 86 Ca 0.24 -1.34 -0.12 0.00 0.12 0.00 0.00 56.93 55.84 1x5c s PHE 86 Cb -0.15 -2.51 0.14 0.00 -0.57 0.00 0.00 43.02 39.93 1x5c s PHE 86 CO 0.10 -0.74 1.09 -1.25 -0.10 0.00 0.00 175.22 174.32 1x5c s PRO 87 N 1.45 1.11 -1.22 0.24 0.04 -1.26 -1.73 135.00 133.62 1x5c s PRO 87 Ca 0.01 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 1x5c s PRO 87 Cb -0.20 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1x5c s PRO 87 CO 0.04 -2.33 2.39 0.00 0.04 0.00 0.00 177.00 177.14 1x5c n ALA 88 N -3.94 5.60 -2.41 8.56 0.00 -1.26 -4.76 120.51 122.30 1x5c n ALA 88 Ca 0.07 -3.02 -0.29 0.00 0.00 0.00 0.00 53.44 50.19 1x5c n ALA 88 Cb 0.56 -3.31 -0.13 0.00 0.00 0.00 0.00 19.45 16.57 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 3.20 3.46 0.00 0.00 0.15 -1.26 -4.20 113.70 115.06 1x5c s SER 89 Ca 0.54 -0.68 0.31 0.00 0.70 0.00 0.00 55.95 56.82 1x5c s SER 89 Cb 0.14 -0.32 1.63 0.00 -1.71 0.00 0.00 66.02 65.75 1x5c s SER 89 CO -0.03 0.19 2.07 0.00 1.20 0.00 0.00 173.24 176.67 1x5c n ALA 90 N 0.99 2.66 -1.42 5.45 0.00 -1.26 -3.66 120.51 123.27 1x5c n ALA 90 Ca -0.17 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.72 1x5c n ALA 90 Cb 0.53 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.67 1x5c n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x5c n ASP 91 N -0.71 5.98 -3.18 0.00 2.03 -1.26 -4.92 116.55 114.50 1x5c n ASP 91 Ca 0.22 -3.75 -0.14 0.00 0.52 0.00 0.00 54.79 51.63 1x5c n ASP 91 Cb 0.19 -0.83 -0.04 0.00 -0.72 0.00 0.00 41.12 39.72 1x5c n ASP 91 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1x5c n ARG 92 N -0.96 -0.95 -1.43 -0.67 -4.01 -1.24 -4.80 116.66 102.60 1x5c n ARG 92 Ca 0.57 0.04 -0.32 0.00 -1.04 0.00 0.00 57.85 57.10 1x5c n ARG 92 Cb 0.95 -1.64 0.08 0.00 -3.04 0.00 0.00 32.46 28.81 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1x5c s THR 93 N -3.24 3.03 0.00 8.89 2.01 -1.26 -5.06 115.64 120.00 1x5c s THR 93 Ca 0.08 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1x5c s THR 93 Cb -0.05 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1x5c s THR 93 CO 0.43 -0.36 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.27 1x5c s VAL 94 N -2.52 0.36 -0.05 3.82 1.01 -1.26 -4.15 120.40 117.61 1x5c s VAL 94 Ca 0.66 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1x5c s VAL 94 Cb -0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1x5c s VAL 94 CO 0.49 0.05 -0.24 -0.63 0.00 0.00 0.00 175.10 174.77 1x5c s ILE 95 N -0.23 2.15 0.16 2.22 1.01 0.18 -4.96 121.20 121.73 1x5c s ILE 95 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.31 1x5c s ILE 95 Cb -0.03 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.60 1x5c s ILE 95 CO -0.00 0.57 1.01 1.51 0.00 0.00 0.00 174.94 178.03 1x5c s ASP 96 N -0.29 7.43 -0.43 3.58 -4.77 -1.26 -0.71 116.67 120.22 1x5c s ASP 96 Ca 0.00 1.94 -0.11 0.00 -3.30 0.00 0.00 52.55 51.08 1x5c s ASP 96 Cb -0.13 -2.60 0.07 0.00 -1.09 0.00 0.00 42.92 39.18 1x5c s ASP 96 CO 0.02 -0.09 0.29 -0.47 0.70 0.00 0.00 175.17 175.62 1x5c s TYR 97 N -0.30 3.31 -0.63 2.11 6.14 -1.20 -4.89 117.35 121.89 1x5c s TYR 97 Ca 0.47 -1.36 0.06 0.00 0.64 0.00 0.00 57.07 56.88 1x5c s TYR 97 Cb -0.26 -2.97 0.24 0.00 0.42 0.00 0.00 41.96 39.39 1x5c s TYR 97 CO 0.32 -0.82 0.72 0.09 0.64 0.00 0.00 175.55 176.49 1x5c n ASN 98 N 4.99 3.47 0.00 4.32 3.02 -1.26 -4.77 115.26 125.02 1x5c n ASN 98 Ca -0.11 -3.38 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1x5c n ASN 98 Cb 0.43 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.96 5.17 0.18 7.41 0.00 -1.26 -5.03 105.19 112.62 1x5c n GLY 99 Ca 0.29 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 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 0.25 -2.89 1.61 4.11 -1.96 -3.47 114.58 112.23 1x5c h GLU 100 Ca 0.00 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.15 1x5c h GLU 100 Cb 0.00 0.02 0.05 0.00 0.50 0.00 0.00 28.75 29.32 1x5c h GLU 100 CO 0.00 0.74 -0.24 -2.13 0.07 0.00 0.00 179.01 177.44 1x5c n ARG 101 N -3.91 -2.53 -4.40 1.06 0.63 -1.26 -5.06 116.66 101.19 1x5c n ARG 101 Ca -0.02 0.28 -0.21 0.00 -0.92 0.00 0.00 57.85 56.99 1x5c n ARG 101 Cb 0.58 -3.65 -0.10 0.00 0.45 0.00 0.00 32.46 29.74 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 -3.11 1.84 0.22 5.15 -4.23 -1.26 -4.99 115.64 109.26 1x5c s THR 102 Ca 0.12 -2.21 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 1x5c s THR 102 Cb -0.05 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.74 1x5c s THR 102 CO 0.25 -0.45 1.70 0.25 -0.54 0.00 0.00 174.62 175.83 1x5c h LEU 103 N 2.40 0.01 -0.25 4.79 5.85 -1.97 0.25 115.31 126.38 1x5c h LEU 103 Ca -0.39 0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.24 1x5c h LEU 103 Cb 1.23 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 1x5c h LEU 103 CO 0.64 -0.00 -0.88 -0.78 -0.34 0.00 0.00 178.44 177.08 1x5c h ASP 104 N 0.27 0.43 -0.10 1.25 3.58 -1.96 -3.22 116.42 116.66 1x5c h ASP 104 Ca 0.35 -0.33 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1x5c h ASP 104 Cb 0.55 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1x5c h ASP 104 CO -0.44 1.12 -0.12 1.23 -2.88 0.00 0.00 179.24 178.15 1x5c h GLY 105 N 1.45 0.47 0.89 -0.78 0.00 -1.54 -2.97 103.07 100.59 1x5c h GLY 105 Ca -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1x5c h GLY 105 CO 0.15 0.29 0.07 0.74 0.00 0.00 0.00 176.54 177.79 1x5c h PHE 106 N 0.41 0.48 -0.79 5.60 0.04 -0.59 -2.86 116.94 119.23 1x5c h PHE 106 Ca 0.08 -0.06 0.10 0.00 2.80 0.00 0.00 57.97 60.90 1x5c h PHE 106 Cb 0.46 -0.14 -0.08 0.00 2.20 0.00 0.00 35.95 38.40 1x5c h PHE 106 CO 0.01 0.52 0.43 0.87 -0.60 0.00 0.00 178.31 179.54 1x5c h LYS 107 N 0.30 0.68 -0.51 1.51 1.57 -1.56 0.63 116.57 119.19 1x5c h LYS 107 Ca 0.09 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1x5c h LYS 107 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1x5c h LYS 107 CO 0.00 0.45 0.30 0.87 -0.57 0.00 0.00 179.45 180.49 1x5c h LYS 108 N 0.70 0.57 -0.18 3.15 1.57 -1.42 0.40 116.57 121.37 1x5c h LYS 108 Ca 0.40 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1x5c h LYS 108 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1x5c h LYS 108 CO -0.28 0.38 -0.01 0.35 -0.57 0.00 0.00 179.45 179.32 1x5c h PHE 109 N 0.59 0.35 0.67 -1.35 3.57 -1.07 -2.64 116.94 117.05 1x5c h PHE 109 Ca 0.21 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1x5c h PHE 109 Cb 0.04 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.69 1x5c h PHE 109 CO -0.07 0.54 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.16 1x5c h LEU 110 N 0.06 -0.76 -1.48 0.59 3.38 -0.66 -2.27 115.31 114.18 1x5c h LEU 110 Ca 0.05 0.03 0.41 0.00 0.09 0.00 0.00 57.88 58.46 1x5c h LEU 110 Cb 0.41 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1x5c h LEU 110 CO 0.01 -0.48 0.86 -0.33 0.09 0.00 0.00 178.44 178.60 1x5c h GLU 111 N -1.04 0.12 -0.33 1.13 5.08 -0.30 0.79 114.58 120.03 1x5c h GLU 111 Ca -0.09 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1x5c h GLU 111 Cb 0.69 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1x5c h GLU 111 CO 0.15 0.08 -0.21 0.77 -1.00 0.00 0.00 179.01 178.80 1x5c h SER 112 N 0.12 0.76 0.00 1.42 0.02 -1.28 -3.48 113.55 111.12 1x5c h SER 112 Ca 0.78 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1x5c h SER 112 Cb 2.47 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.80 1x5c h SER 112 CO -0.35 1.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 1x5c n GLY 113 N 0.03 1.94 2.17 -3.77 0.00 0.27 -4.71 105.19 101.12 1x5c n GLY 113 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.41 0.08 3.28 -0.02 0.00 -0.93 -4.95 105.19 102.24 1x5c n GLY 114 Ca 0.00 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1x5c n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5c n GLN 115 N -2.48 3.51 0.31 1.61 1.13 -1.26 -4.81 117.38 115.39 1x5c n GLN 115 Ca -0.12 -3.86 0.12 0.00 -1.94 0.00 0.00 57.00 51.20 1x5c n GLN 115 Cb 0.58 -2.94 0.65 0.00 0.11 0.00 0.00 30.24 28.63 1x5c n GLN 115 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1x5c h SER 116 N 6.64 0.00 -5.00 1.08 4.64 -1.92 -3.46 113.55 115.52 1x5c h SER 116 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1x5c h SER 116 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1x5c h SER 116 CO 1.33 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 1x5c n GLY 117 N -1.26 2.58 3.77 -0.77 0.00 -1.26 -5.05 105.19 103.20 1x5c n GLY 117 Ca -0.02 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 1x5c n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5c s PRO 118 N -2.98 2.97 -0.28 1.61 0.04 -1.26 -5.06 135.00 130.04 1x5c s PRO 118 Ca 0.00 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1x5c s PRO 118 Cb 0.00 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1x5c s PRO 118 CO 0.00 -1.12 0.73 -1.54 0.04 0.00 0.00 177.00 175.11 1x5c s SER 119 N -2.35 -0.87 -0.74 6.66 1.04 -1.26 -4.98 113.70 111.21 1x5c s SER 119 Ca 0.69 1.42 -0.02 0.00 0.48 0.00 0.00 55.95 58.52 1x5c s SER 119 Cb -0.21 1.37 -0.02 0.00 0.10 0.00 0.00 66.02 67.26 1x5c s SER 119 CO 0.37 -0.23 0.63 -0.24 0.98 0.00 0.00 173.24 174.75 1x5c n SER 120 N 3.99 -3.42 0.00 7.02 2.88 -1.26 -5.31 113.62 117.52 1x5c n SER 120 Ca -0.19 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1x5c n SER 120 Cb 0.58 -3.54 0.00 0.00 -0.75 0.00 0.00 64.21 60.50 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42