#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c h SER 2 N 0.00 -0.02 -1.60 1.61 0.87 -2.13 -3.46 113.55 108.81 1x5c h SER 2 Ca 0.00 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.87 1x5c h SER 2 Cb 0.00 0.01 0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1x5c h SER 2 CO 0.00 0.40 0.30 -1.54 -0.53 0.00 0.00 176.83 175.46 1x5c n SER 3 N -4.38 1.16 0.00 6.23 3.41 -1.26 -4.92 113.62 113.87 1x5c n SER 3 Ca -0.00 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1x5c n SER 3 Cb 0.01 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 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 2.18 0.12 3.02 5.00 0.00 -1.26 -5.04 105.19 109.22 1x5c n GLY 4 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1x5c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5c s SER 5 N 0.49 4.41 -0.65 1.61 0.01 -1.26 -5.06 113.70 113.25 1x5c s SER 5 Ca 0.00 -1.57 -0.26 0.00 1.31 0.00 0.00 55.95 55.43 1x5c s SER 5 Cb 0.00 -1.48 -0.06 0.00 0.21 0.00 0.00 66.02 64.69 1x5c s SER 5 CO 0.00 -0.26 2.15 -0.44 0.41 0.00 0.00 173.24 175.11 1x5c s SER 6 N 1.12 4.72 0.00 2.44 0.01 -1.26 -4.59 113.70 116.14 1x5c s SER 6 Ca -0.02 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1x5c s SER 6 Cb -0.19 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1x5c s SER 6 CO -0.07 -2.88 0.00 0.61 0.41 0.00 0.00 173.24 171.31 1x5c n GLY 7 N 6.20 3.61 0.08 3.44 0.00 -1.26 -5.02 105.19 112.24 1x5c n GLY 7 Ca 0.34 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 0.13 -6.14 1.61 0.13 -1.91 -3.45 132.00 122.37 1x5c h PRO 8 Ca 0.00 -0.07 -0.69 0.00 -0.87 0.00 0.00 66.00 64.37 1x5c h PRO 8 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 1x5c h PRO 8 CO 0.00 0.58 -0.85 0.54 -0.23 0.00 0.00 178.00 178.04 1x5c s VAL 9 N -4.27 2.36 0.59 1.56 0.11 -1.26 -3.11 120.40 116.38 1x5c s VAL 9 Ca -0.15 -0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 57.74 1x5c s VAL 9 Cb 0.03 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1x5c s VAL 9 CO 0.70 0.57 1.23 -0.54 -3.33 0.00 0.00 175.10 173.73 1x5c s LYS 10 N -0.33 2.98 -0.43 1.54 1.02 -0.53 -4.80 119.74 119.18 1x5c s LYS 10 Ca 0.02 1.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.88 1x5c s LYS 10 Cb -0.12 -1.97 0.12 0.00 -0.52 0.00 0.00 37.83 35.33 1x5c s LYS 10 CO 0.02 -1.21 0.22 0.08 -0.92 0.00 0.00 175.35 173.54 1x5c s VAL 11 N -1.54 3.19 0.34 3.17 1.01 -1.26 -0.03 120.40 125.27 1x5c s VAL 11 Ca 0.77 -2.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 1x5c s VAL 11 Cb -0.32 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1x5c s VAL 11 CO 0.35 -0.71 0.95 -0.76 0.00 0.00 0.00 175.10 174.93 1x5c s LEU 12 N 0.88 4.27 0.25 3.92 1.43 -0.71 -4.97 118.68 123.76 1x5c s LEU 12 Ca 0.10 1.83 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 1x5c s LEU 12 Cb -0.22 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 1x5c s LEU 12 CO -0.04 -0.14 -0.06 0.68 0.23 0.00 0.00 176.35 177.01 1x5c s VAL 13 N -1.69 1.50 -1.83 -1.59 -7.23 -1.26 -4.52 120.40 103.78 1x5c s VAL 13 Ca 0.52 -2.12 0.10 0.00 -1.81 0.00 0.00 61.98 58.67 1x5c s VAL 13 Cb -0.18 -2.32 0.24 0.00 0.56 0.00 0.00 36.38 34.68 1x5c s VAL 13 CO 0.23 -0.38 1.07 0.61 -0.31 0.00 0.00 175.10 176.32 1x5c n GLY 14 N -0.49 -0.39 0.10 2.32 0.00 -1.26 0.11 105.19 105.58 1x5c n GLY 14 Ca -0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.09 0.54 -1.01 1.61 4.81 -1.26 -4.62 118.16 117.14 1x5c n LYS 15 Ca 0.06 0.51 0.03 0.00 -0.87 0.00 0.00 58.31 58.05 1x5c n LYS 15 Cb 0.05 -1.69 0.14 0.00 0.02 0.00 0.00 35.03 33.55 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 -4.46 1.77 0.14 3.14 6.94 -1.12 -4.88 115.26 116.80 1x5c n ASN 16 Ca -0.28 -3.34 -0.10 0.00 -0.02 0.00 0.00 54.58 50.84 1x5c n ASN 16 Cb 0.60 -0.45 -0.05 0.00 -2.36 0.00 0.00 39.78 37.51 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 1.14 -0.76 -0.70 -2.53 3.57 0.58 -2.43 116.94 115.82 1x5c h PHE 17 Ca -0.04 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.55 1x5c h PHE 17 Cb 1.28 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 1x5c h PHE 17 CO 0.61 -0.35 0.46 0.93 -2.23 0.00 0.00 178.31 177.73 1x5c h GLU 18 N -0.52 0.62 -0.47 1.11 5.08 -1.90 0.35 114.58 118.85 1x5c h GLU 18 Ca -0.03 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1x5c h GLU 18 Cb 0.46 -0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1x5c h GLU 18 CO -0.05 0.41 -0.21 0.22 -1.00 0.00 0.00 179.01 178.38 1x5c h ASP 19 N 0.63 -0.73 0.63 1.42 3.58 -1.73 0.76 116.42 120.98 1x5c h ASP 19 Ca 0.31 0.17 -0.27 0.00 0.42 0.00 0.00 57.03 57.67 1x5c h ASP 19 Cb 0.40 0.40 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 1x5c h ASP 19 CO -0.11 -0.24 -1.50 0.58 -2.88 0.00 0.00 179.24 175.10 1x5c h VAL 20 N -0.11 1.12 0.37 2.25 2.07 -1.02 -3.39 116.25 117.53 1x5c h VAL 20 Ca 0.22 -2.91 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 1x5c h VAL 20 Cb 0.46 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1x5c h VAL 20 CO -0.54 0.66 -0.18 0.00 0.02 0.00 0.00 177.57 177.54 1x5c h ALA 21 N 0.93 -0.76 -1.44 1.67 0.00 0.26 -3.40 119.26 116.53 1x5c h ALA 21 Ca -0.21 -0.11 -0.56 0.00 0.00 0.00 0.00 54.91 54.03 1x5c h ALA 21 Cb 1.94 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.83 1x5c h ALA 21 CO 0.10 -0.72 0.92 -0.06 0.00 0.00 0.00 179.25 179.48 1x5c s PHE 22 N -3.44 2.39 0.06 0.00 0.08 0.26 -4.57 117.98 112.75 1x5c s PHE 22 Ca -0.07 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1x5c s PHE 22 Cb 0.01 -4.54 -0.03 0.00 -0.57 0.00 0.00 43.02 37.89 1x5c s PHE 22 CO 0.21 -1.96 -0.08 0.34 -0.10 0.00 0.00 175.22 173.63 1x5c s ASP 23 N 3.72 1.01 0.35 1.36 2.15 -1.26 -4.69 116.67 119.31 1x5c s ASP 23 Ca 0.31 -0.64 -0.16 0.00 0.43 0.00 0.00 52.55 52.50 1x5c s ASP 23 Cb -0.10 0.03 -0.09 0.00 -0.30 0.00 0.00 42.92 42.46 1x5c s ASP 23 CO 0.14 -0.23 0.78 -0.70 -0.17 0.00 0.00 175.17 174.98 1x5c s GLU 24 N -1.99 4.02 -1.48 4.34 2.56 -1.26 -3.94 118.70 120.95 1x5c s GLU 24 Ca -0.05 0.73 -0.14 0.00 0.00 0.00 0.00 54.97 55.50 1x5c s GLU 24 Cb -0.07 -2.38 0.12 0.00 2.00 0.00 0.00 34.13 33.79 1x5c s GLU 24 CO -0.00 0.10 0.67 1.63 -0.56 0.00 0.00 175.26 177.09 1x5c n LYS 25 N -0.52 -3.40 -3.56 4.30 4.76 -1.25 -4.92 118.16 113.57 1x5c n LYS 25 Ca 0.04 0.41 -0.04 0.00 -2.87 0.00 0.00 58.31 55.86 1x5c n LYS 25 Cb 0.53 -5.15 -0.06 0.00 -1.84 0.00 0.00 35.03 28.52 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 -6.50 0.46 -0.81 1.97 2.47 -1.25 -4.74 119.74 111.34 1x5c s LYS 26 Ca 0.59 1.15 -0.19 0.00 -1.56 0.00 0.00 55.97 55.95 1x5c s LYS 26 Cb -0.32 0.50 0.12 0.00 -1.46 0.00 0.00 37.83 36.67 1x5c s LYS 26 CO 0.72 -0.32 1.01 -0.80 0.16 0.00 0.00 175.35 176.12 1x5c s ASN 27 N 2.75 6.46 -0.11 1.43 0.01 0.58 -3.94 114.94 122.12 1x5c s ASN 27 Ca 0.01 -1.72 -0.18 0.00 -0.71 0.00 0.00 52.86 50.25 1x5c s ASN 27 Cb -0.13 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1x5c s ASN 27 CO -0.17 -1.14 0.49 -0.69 -1.51 0.00 0.00 177.10 174.08 1x5c s VAL 28 N 2.90 5.18 -0.44 1.60 1.01 -0.77 -1.27 120.40 128.61 1x5c s VAL 28 Ca 0.26 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 63.16 1x5c s VAL 28 Cb -0.11 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.56 1x5c s VAL 28 CO -0.02 0.33 0.27 0.12 0.00 0.00 0.00 175.10 175.79 1x5c s PHE 29 N 0.60 3.52 0.45 5.22 5.36 0.11 -0.16 117.98 133.09 1x5c s PHE 29 Ca 0.26 -2.21 -0.14 0.00 -0.96 0.00 0.00 56.93 53.88 1x5c s PHE 29 Cb -0.15 -3.34 -0.08 0.00 -0.34 0.00 0.00 43.02 39.11 1x5c s PHE 29 CO 0.11 -0.98 0.88 0.08 -1.46 0.00 0.00 175.22 173.85 1x5c s VAL 30 N 1.20 4.63 -0.28 3.12 1.01 -0.75 -1.63 120.40 127.71 1x5c s VAL 30 Ca 0.07 0.99 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1x5c s VAL 30 Cb -0.24 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.52 1x5c s VAL 30 CO -0.03 -0.57 0.08 -0.70 0.00 0.00 0.00 175.10 173.89 1x5c s GLU 31 N -3.86 0.66 -0.78 2.72 2.12 -0.34 -2.04 118.70 117.18 1x5c s GLU 31 Ca 0.56 -0.85 -0.26 0.00 0.36 0.00 0.00 54.97 54.78 1x5c s GLU 31 Cb -0.10 -1.93 0.04 0.00 0.26 0.00 0.00 34.13 32.40 1x5c s GLU 31 CO 0.29 -0.90 1.28 -0.06 -0.54 0.00 0.00 175.26 175.33 1x5c s PHE 32 N 1.73 2.36 0.46 5.30 0.08 0.37 -2.25 117.98 126.03 1x5c s PHE 32 Ca 0.07 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.96 1x5c s PHE 32 Cb -0.17 -4.61 0.01 0.00 -0.57 0.00 0.00 43.02 37.67 1x5c s PHE 32 CO -0.22 -2.02 0.44 1.52 -0.10 0.00 0.00 175.22 174.84 1x5c s TYR 33 N 5.45 2.33 -0.03 0.36 -0.85 -1.10 -0.56 117.35 122.95 1x5c s TYR 33 Ca 0.36 -0.59 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1x5c s TYR 33 Cb -0.07 -2.13 -0.00 0.00 0.38 0.00 0.00 41.96 40.14 1x5c s TYR 33 CO 0.10 -0.32 -0.14 0.00 -1.52 0.00 0.00 175.55 173.67 1x5c s ALA 34 N -2.56 1.29 -1.54 9.51 0.00 -1.26 -3.11 121.76 124.10 1x5c s ALA 34 Ca 0.47 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.00 1x5c s ALA 34 Cb -0.03 -0.43 0.78 0.00 0.00 0.00 0.00 23.12 23.44 1x5c s ALA 34 CO 0.28 0.24 1.39 -0.35 0.00 0.00 0.00 175.76 177.32 1x5c n PRO 35 N 3.15 0.26 0.00 0.00 -0.04 -1.26 -2.50 135.00 134.61 1x5c n PRO 35 Ca -0.18 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1x5c n PRO 35 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.23 0.00 -2.02 0.54 4.27 -1.26 -5.00 117.44 112.74 1x5c n TRP 36 Ca 0.08 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.26 1x5c n TRP 36 Cb 0.11 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.03 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 12.81 1.47 1.51 0.00 0.00 -1.94 0.89 103.07 117.81 1x5c h GLY 38 Ca -0.34 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 1x5c h GLY 38 CO 1.01 0.00 0.06 0.45 0.00 0.00 0.00 176.54 178.06 1x5c h HIS 39 N 0.70 0.63 -0.19 5.60 3.86 -1.90 -2.90 115.15 120.95 1x5c h HIS 39 Ca 0.53 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1x5c h HIS 39 Cb 0.89 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1x5c h HIS 39 CO -0.00 0.58 0.10 0.00 0.86 0.00 0.00 177.93 179.46 1x5c h LYS 41 N 0.19 0.00 0.00 0.00 1.57 -1.28 1.39 116.57 118.44 1x5c h LYS 41 Ca 0.07 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 1x5c h LYS 41 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1x5c h LYS 41 CO -0.01 0.00 -1.49 1.96 -0.57 0.00 0.00 179.45 179.34 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.47 -3.33 115.11 114.54 1x5c h GLN 42 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1x5c h GLN 42 Cb 2.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 1x5c h GLN 42 CO -0.00 0.40 -0.11 1.25 -0.95 0.00 0.00 178.83 179.42 1x5c h LEU 43 N 0.00 0.00 -0.09 1.46 5.85 0.21 -3.32 115.31 119.42 1x5c h LEU 43 Ca -0.20 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1x5c h LEU 43 Cb 1.76 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.74 1x5c h LEU 43 CO 0.06 0.01 -0.24 0.00 -0.34 0.00 0.00 178.44 177.94 1x5c h ALA 44 N 2.33 -0.24 -0.09 1.25 0.00 -0.95 0.44 119.26 122.00 1x5c h ALA 44 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1x5c h ALA 44 Cb 0.83 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x5c h ALA 44 CO 0.00 -0.71 -0.09 -1.00 0.00 0.00 0.00 179.25 177.45 1x5c h PRO 45 N -0.32 0.23 -0.56 0.00 0.13 -1.79 -2.30 132.00 127.38 1x5c h PRO 45 Ca 0.09 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 1x5c h PRO 45 Cb 0.45 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1x5c h PRO 45 CO -0.28 0.65 0.33 0.82 -0.23 0.00 0.00 178.00 179.29 1x5c h ILE 46 N -0.19 1.04 -0.36 -3.56 2.04 -1.62 -1.20 117.51 113.66 1x5c h ILE 46 Ca 0.01 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1x5c h ILE 46 Cb 0.61 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1x5c h ILE 46 CO 0.02 0.12 -0.06 -0.25 0.00 0.00 0.00 178.15 177.98 1x5c h TRP 47 N 0.64 0.62 -0.24 1.37 2.91 -0.16 -2.07 115.95 119.02 1x5c h TRP 47 Ca 0.23 -0.08 -0.10 0.00 1.13 0.00 0.00 58.89 60.07 1x5c h TRP 47 Cb 0.05 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 1x5c h TRP 47 CO -0.07 0.63 -0.27 0.22 -1.03 0.00 0.00 178.44 177.92 1x5c h ASP 48 N 0.55 0.47 0.01 2.65 1.82 -0.76 -0.74 116.42 120.42 1x5c h ASP 48 Ca 0.11 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1x5c h ASP 48 Cb 0.44 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1x5c h ASP 48 CO 0.02 0.74 -0.01 0.11 -1.61 0.00 0.00 179.24 178.49 1x5c h LYS 49 N 0.41 -0.01 -0.52 0.28 1.57 -0.83 -2.78 116.57 114.69 1x5c h LYS 49 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1x5c h LYS 49 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1x5c h LYS 49 CO 0.05 0.51 0.14 1.25 -0.57 0.00 0.00 179.45 180.84 1x5c h LEU 50 N -0.55 0.72 0.11 2.94 5.85 -1.37 -2.77 115.31 120.25 1x5c h LEU 50 Ca -0.00 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1x5c h LEU 50 Cb 0.53 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1x5c h LEU 50 CO 0.00 0.70 -0.05 1.23 -0.34 0.00 0.00 178.44 179.98 1x5c h GLY 51 N 0.93 -0.15 2.00 3.75 0.00 -1.14 -2.03 103.07 106.43 1x5c h GLY 51 Ca 0.17 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1x5c h GLY 51 CO -0.01 -0.05 -0.02 1.05 0.00 0.00 0.00 176.54 177.51 1x5c h GLU 52 N -0.16 0.00 -0.03 4.80 4.11 -1.36 0.62 114.58 122.55 1x5c h GLU 52 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.27 1x5c h GLU 52 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1x5c h GLU 52 CO 0.02 0.02 -0.65 1.15 0.07 0.00 0.00 179.01 179.62 1x5c h THR 53 N 0.00 1.43 0.00 -1.06 2.02 -1.09 -3.24 112.91 110.97 1x5c h THR 53 Ca -0.00 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.04 1x5c h THR 53 Cb 0.12 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1x5c h THR 53 CO 0.00 0.62 -0.47 -1.22 0.37 0.00 0.00 175.52 174.82 1x5c n TYR 54 N -3.81 0.00 0.03 3.16 4.02 -0.55 -4.72 117.16 115.28 1x5c n TYR 54 Ca -0.02 -1.35 -0.13 0.00 -0.01 0.00 0.00 57.90 56.40 1x5c n TYR 54 Cb 0.64 -0.23 -0.01 0.00 -0.02 0.00 0.00 39.34 39.72 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 0.86 0.52 -0.42 -0.72 2.10 -0.95 -3.22 116.57 114.74 1x5c h LYS 55 Ca -0.02 -0.45 -0.15 0.00 -2.00 0.00 0.00 60.65 58.04 1x5c h LYS 55 Cb 1.07 0.10 -0.09 0.00 -0.90 0.00 0.00 32.23 32.41 1x5c h LYS 55 CO 0.01 1.08 0.05 -3.47 -2.00 0.00 0.00 179.45 175.12 1x5c n ASP 56 N -3.85 3.38 -2.99 7.07 2.03 -1.26 -5.00 116.55 115.92 1x5c n ASP 56 Ca -0.06 -3.42 -0.13 0.00 0.52 0.00 0.00 54.79 51.70 1x5c n ASP 56 Cb 0.74 -0.63 0.11 0.00 -0.72 0.00 0.00 41.12 40.62 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1x5c n HIS 57 N -0.79 -3.30 -0.12 -0.67 -0.00 -1.22 -5.03 115.22 104.10 1x5c n HIS 57 Ca 0.32 -0.43 -0.25 0.00 0.46 0.00 0.00 57.72 57.82 1x5c n HIS 57 Cb 1.08 -0.51 -0.09 0.00 -0.12 0.00 0.00 29.99 30.35 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 -3.11 0.51 -0.01 1.57 0.28 -1.26 -4.82 120.64 113.80 1x5c n GLU 58 Ca 0.07 0.22 -0.01 0.00 -0.16 0.00 0.00 57.16 57.27 1x5c n GLU 58 Cb 0.26 -1.36 -0.02 0.00 1.43 0.00 0.00 31.44 31.75 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 -3.99 4.32 -4.62 -1.84 0.23 -1.26 -4.91 115.26 103.19 1x5c n ASN 59 Ca -0.47 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.16 1x5c n ASN 59 Cb 0.84 0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 39.14 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 -2.08 4.50 -0.18 1.53 1.01 -1.26 0.22 121.20 124.93 1x5c s ILE 60 Ca -0.01 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.13 1x5c s ILE 60 Cb 0.01 -4.41 0.05 0.00 0.01 0.00 0.00 42.46 38.12 1x5c s ILE 60 CO 0.11 -0.56 -0.03 -0.69 0.00 0.00 0.00 174.94 173.77 1x5c s VAL 61 N 3.69 1.02 0.15 2.92 1.01 -0.40 -4.28 120.40 124.51 1x5c s VAL 61 Ca 0.43 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 1x5c s VAL 61 Cb -0.11 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 1x5c s VAL 61 CO 0.18 -0.00 0.81 -0.63 0.00 0.00 0.00 175.10 175.47 1x5c s ILE 62 N 1.65 4.40 -0.02 2.22 -1.09 -1.26 -0.71 121.20 126.40 1x5c s ILE 62 Ca -0.01 1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 60.09 1x5c s ILE 62 Cb -0.16 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1x5c s ILE 62 CO -0.07 0.47 0.21 0.00 -1.23 0.00 0.00 174.94 174.32 1x5c s ALA 63 N -0.86 -0.52 -0.02 9.38 0.00 -0.65 -1.46 121.76 127.64 1x5c s ALA 63 Ca 0.38 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1x5c s ALA 63 Cb -0.23 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1x5c s ALA 63 CO 0.27 -0.21 -0.21 -1.59 0.00 0.00 0.00 175.76 174.01 1x5c s LYS 64 N -1.16 1.81 -0.01 0.00 -2.85 0.95 -1.20 119.74 117.28 1x5c s LYS 64 Ca -0.12 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1x5c s LYS 64 Cb -0.06 -1.69 0.02 0.00 -2.06 0.00 0.00 37.83 34.03 1x5c s LYS 64 CO 0.02 0.42 0.02 1.41 0.10 0.00 0.00 175.35 177.32 1x5c s MET 65 N -0.39 -0.01 -0.77 1.78 1.75 -0.95 -1.74 119.30 118.96 1x5c s MET 65 Ca 0.05 0.10 -0.23 0.00 -1.25 0.00 0.00 55.69 54.36 1x5c s MET 65 Cb -0.09 -0.14 0.06 0.00 2.84 0.00 0.00 34.83 37.50 1x5c s MET 65 CO 0.00 -0.09 1.15 0.34 -0.65 0.00 0.00 175.02 175.77 1x5c s ASP 66 N 0.57 6.28 0.61 1.11 -1.08 -1.26 -2.73 116.67 120.17 1x5c s ASP 66 Ca -0.05 -1.04 0.31 0.00 -0.52 0.00 0.00 52.55 51.25 1x5c s ASP 66 Cb -0.07 -2.48 1.76 0.00 -1.46 0.00 0.00 42.92 40.67 1x5c s ASP 66 CO -0.02 -1.52 2.12 -1.28 0.52 0.00 0.00 175.17 175.00 1x5c h SER 67 N 9.64 0.00 1.70 -0.34 0.87 -1.70 0.72 113.55 124.45 1x5c h SER 67 Ca -0.15 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1x5c h SER 67 Cb 1.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1x5c h SER 67 CO 1.24 0.00 -0.30 0.71 -0.53 0.00 0.00 176.83 177.95 1x5c h THR 68 N 0.00 0.25 0.00 2.23 1.35 -1.89 -3.30 112.91 111.55 1x5c h THR 68 Ca 0.06 -1.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.52 1x5c h THR 68 Cb 0.43 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 1x5c h THR 68 CO -0.00 0.14 -1.89 0.00 -0.25 0.00 0.00 175.52 173.53 1x5c n ALA 69 N -2.15 2.59 -3.23 6.62 0.00 0.89 -4.96 120.51 120.27 1x5c n ALA 69 Ca 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 1x5c n ALA 69 Cb 0.60 -0.59 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 -4.25 0.44 -0.05 0.00 0.01 0.22 -4.92 114.94 106.38 1x5c s ASN 70 Ca -0.07 -0.05 0.05 0.00 -0.71 0.00 0.00 52.86 52.08 1x5c s ASN 70 Cb 0.11 -0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.63 1x5c s ASN 70 CO 0.77 -0.02 -0.20 -0.70 -1.51 0.00 0.00 177.10 175.44 1x5c s GLU 71 N 0.43 2.14 -0.00 -0.60 2.56 -1.26 -4.12 118.70 117.85 1x5c s GLU 71 Ca -0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 54.97 54.19 1x5c s GLU 71 Cb -0.07 -1.82 -0.00 0.00 2.00 0.00 0.00 34.13 34.23 1x5c s GLU 71 CO -0.01 0.29 0.02 0.14 -0.56 0.00 0.00 175.26 175.14 1x5c s VAL 72 N -0.01 0.03 0.17 3.70 -7.23 -1.26 -4.93 120.40 110.86 1x5c s VAL 72 Ca -0.05 -0.25 0.16 0.00 -1.81 0.00 0.00 61.98 60.03 1x5c s VAL 72 Cb -0.13 -0.11 0.08 0.00 0.56 0.00 0.00 36.38 36.78 1x5c s VAL 72 CO 0.03 -0.14 1.66 1.05 -0.31 0.00 0.00 175.10 177.40 1x5c h GLU 73 N 5.69 0.00 0.00 4.82 4.11 -2.01 -2.94 114.58 124.25 1x5c h GLU 73 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1x5c h GLU 73 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x5c h GLU 73 CO 0.47 0.47 0.03 0.00 0.07 0.00 0.00 179.01 180.05 1x5c n ALA 74 N -2.32 1.00 -3.55 1.06 0.00 -1.26 -4.34 120.51 111.09 1x5c n ALA 74 Ca -0.00 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 1x5c n ALA 74 Cb 0.57 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.43 -0.80 -0.44 0.00 1.01 -1.11 -5.01 120.40 110.63 1x5c s VAL 75 Ca -0.02 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1x5c s VAL 75 Cb 0.05 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.65 1x5c s VAL 75 CO 0.15 0.01 0.33 -0.54 0.00 0.00 0.00 175.10 175.06 1x5c s LYS 76 N 2.73 2.92 -0.21 2.72 -0.14 -1.26 -4.45 119.74 122.05 1x5c s LYS 76 Ca 0.02 -1.22 -0.08 0.00 -1.36 0.00 0.00 55.97 53.33 1x5c s LYS 76 Cb -0.13 -4.00 -0.04 0.00 -1.68 0.00 0.00 37.83 31.98 1x5c s LYS 76 CO -0.16 -0.89 0.07 0.08 -0.76 0.00 0.00 175.35 173.69 1x5c s VAL 77 N 1.62 4.66 -0.17 3.17 1.01 -1.26 -4.97 120.40 124.47 1x5c s VAL 77 Ca 0.04 -0.07 0.15 0.00 0.00 0.00 0.00 61.98 62.10 1x5c s VAL 77 Cb -0.22 -3.14 0.35 0.00 0.00 0.00 0.00 36.38 33.38 1x5c s VAL 77 CO 0.07 0.40 1.18 1.41 0.00 0.00 0.00 175.10 178.17 1x5c n HIS 78 N 4.10 0.00 -3.68 5.22 8.25 -1.26 -5.05 115.22 122.80 1x5c n HIS 78 Ca -0.16 -1.23 -0.01 0.00 -0.26 0.00 0.00 57.72 56.06 1x5c n HIS 78 Cb 0.52 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 1x5c n HIS 78 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x5c s SER 79 N -3.02 -0.12 -0.04 0.41 0.15 -1.26 -5.19 113.70 104.63 1x5c s SER 79 Ca 0.35 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 1x5c s SER 79 Cb 0.32 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 65.03 1x5c s SER 79 CO -0.02 -0.58 0.74 -0.36 1.20 0.00 0.00 173.24 174.22 1x5c s PHE 80 N -2.83 -0.57 0.45 3.44 0.08 -1.26 -4.15 117.98 113.14 1x5c s PHE 80 Ca 0.13 0.89 -0.23 0.00 0.12 0.00 0.00 56.93 57.84 1x5c s PHE 80 Cb 0.02 0.44 -0.08 0.00 -0.57 0.00 0.00 43.02 42.83 1x5c s PHE 80 CO -0.01 -0.58 1.17 -1.25 -0.10 0.00 0.00 175.22 174.45 1x5c s PRO 81 N -1.57 3.80 -0.09 0.24 0.04 -1.26 -4.90 135.00 131.26 1x5c s PRO 81 Ca -0.07 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.78 1x5c s PRO 81 Cb -0.00 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.10 1x5c s PRO 81 CO 0.05 -0.52 -0.14 0.99 0.04 0.00 0.00 177.00 177.41 1x5c s THR 82 N -1.52 1.37 -0.04 1.26 2.01 0.27 -5.02 115.64 113.98 1x5c s THR 82 Ca 0.63 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1x5c s THR 82 Cb -0.29 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1x5c s THR 82 CO 0.35 0.41 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.78 1x5c s LEU 83 N 0.91 2.65 -0.04 4.42 1.43 -1.26 0.14 118.68 126.94 1x5c s LEU 83 Ca -0.09 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1x5c s LEU 83 Cb -0.15 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1x5c s LEU 83 CO 0.00 0.34 0.05 -0.54 0.23 0.00 0.00 176.35 176.43 1x5c s LYS 84 N -0.78 -0.04 -0.14 1.70 1.02 -0.87 -3.23 119.74 117.41 1x5c s LYS 84 Ca 0.12 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.25 1x5c s LYS 84 Cb -0.11 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1x5c s LYS 84 CO 0.01 -0.28 0.45 0.12 -0.92 0.00 0.00 175.35 174.73 1x5c s PHE 85 N 1.84 3.47 -0.34 3.18 2.19 0.35 -1.80 117.98 126.87 1x5c s PHE 85 Ca 0.01 0.81 -0.09 0.00 0.33 0.00 0.00 56.93 57.99 1x5c s PHE 85 Cb -0.12 -2.53 0.02 0.00 -1.31 0.00 0.00 43.02 39.07 1x5c s PHE 85 CO -0.03 0.13 0.15 -0.06 1.83 0.00 0.00 175.22 177.23 1x5c s PHE 86 N 0.79 3.22 0.87 10.12 0.08 0.78 0.18 117.98 134.02 1x5c s PHE 86 Ca 0.24 -1.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.14 1x5c s PHE 86 Cb -0.15 -2.35 0.12 0.00 -0.57 0.00 0.00 43.02 40.07 1x5c s PHE 86 CO 0.09 -0.63 1.09 -1.25 -0.10 0.00 0.00 175.22 174.43 1x5c s PRO 87 N 1.51 1.43 -0.52 0.24 0.04 -1.26 -1.85 135.00 134.60 1x5c s PRO 87 Ca 0.02 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 61.86 1x5c s PRO 87 Cb -0.19 -1.82 -0.20 0.00 0.04 0.00 0.00 34.50 32.33 1x5c s PRO 87 CO 0.05 -2.14 3.28 0.00 0.04 0.00 0.00 177.00 178.23 1x5c n ALA 88 N -3.82 6.51 -2.93 8.56 0.00 -1.25 -4.74 120.51 122.83 1x5c n ALA 88 Ca 0.07 -2.29 -0.36 0.00 0.00 0.00 0.00 53.44 50.87 1x5c n ALA 88 Cb 0.55 -2.66 -0.12 0.00 0.00 0.00 0.00 19.45 17.22 1x5c n ALA 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5c s SER 89 N 2.13 5.35 0.62 0.00 0.01 -1.26 -3.74 113.70 116.81 1x5c s SER 89 Ca 0.65 -0.11 0.22 0.00 1.31 0.00 0.00 55.95 58.02 1x5c s SER 89 Cb 0.26 -1.95 0.84 0.00 0.21 0.00 0.00 66.02 65.37 1x5c s SER 89 CO -0.02 0.02 1.33 0.00 0.41 0.00 0.00 173.24 174.99 1x5c h ALA 90 N 7.80 2.65 -4.75 1.44 0.00 -1.89 -3.39 119.26 121.12 1x5c h ALA 90 Ca -0.37 -0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.08 1x5c h ALA 90 Cb 1.18 0.06 0.12 0.00 0.00 0.00 0.00 17.79 19.14 1x5c h ALA 90 CO 0.61 -1.45 0.24 -0.25 0.00 0.00 0.00 179.25 178.40 1x5c n ASP 91 N -3.14 0.76 -3.71 0.00 8.00 -1.26 -4.94 116.55 112.25 1x5c n ASP 91 Ca 0.16 -1.82 -0.41 0.00 0.71 0.00 0.00 54.79 53.44 1x5c n ASP 91 Cb 1.30 -0.78 0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1x5c n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1x5c n ARG 92 N -3.20 5.16 -3.16 -1.24 1.85 -1.26 -4.86 116.66 109.94 1x5c n ARG 92 Ca 0.16 -4.55 -0.38 0.00 -1.00 0.00 0.00 57.85 52.09 1x5c n ARG 92 Cb 0.56 -2.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.42 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1x5c s THR 93 N -3.71 4.62 -0.04 8.89 2.01 -1.26 -5.08 115.64 121.07 1x5c s THR 93 Ca 0.38 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.71 1x5c s THR 93 Cb 0.16 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1x5c s THR 93 CO -0.07 0.41 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 1x5c s VAL 94 N -1.29 1.01 -0.09 3.82 1.01 -1.26 -4.18 120.40 119.43 1x5c s VAL 94 Ca 0.36 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1x5c s VAL 94 Cb -0.19 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1x5c s VAL 94 CO 0.21 0.31 -0.06 -0.63 0.00 0.00 0.00 175.10 174.94 1x5c s ILE 95 N 0.27 3.79 0.14 2.22 1.01 0.13 -4.96 121.20 123.80 1x5c s ILE 95 Ca -0.06 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 1x5c s ILE 95 Cb -0.11 -2.58 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 1x5c s ILE 95 CO 0.01 0.57 0.81 -1.81 0.00 0.00 0.00 174.94 174.53 1x5c s ASP 96 N -0.52 7.39 -0.41 3.58 1.01 -1.26 -0.50 116.67 125.96 1x5c s ASP 96 Ca 0.08 1.65 -0.12 0.00 0.71 0.00 0.00 52.55 54.87 1x5c s ASP 96 Cb -0.12 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.35 1x5c s ASP 96 CO 0.02 0.14 0.27 -0.47 0.21 0.00 0.00 175.17 175.34 1x5c s TYR 97 N -0.82 3.27 -0.58 4.23 6.14 -1.20 -4.88 117.35 123.51 1x5c s TYR 97 Ca 0.38 -1.05 0.06 0.00 0.64 0.00 0.00 57.07 57.10 1x5c s TYR 97 Cb -0.23 -2.74 0.29 0.00 0.42 0.00 0.00 41.96 39.70 1x5c s TYR 97 CO 0.27 -0.72 0.80 0.09 0.64 0.00 0.00 175.55 176.62 1x5c n ASN 98 N 5.04 3.52 0.00 4.32 3.02 -1.26 -4.79 115.26 125.11 1x5c n ASN 98 Ca -0.11 -3.44 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 1x5c n ASN 98 Cb 0.45 -0.63 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 0.49 5.67 0.23 7.41 0.00 -1.26 -5.03 105.19 112.70 1x5c n GLY 99 Ca 0.29 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 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 0.46 -2.77 1.61 4.11 -1.97 -3.47 114.58 112.55 1x5c h GLU 100 Ca 0.00 -0.19 -0.10 0.00 0.07 0.00 0.00 59.36 59.14 1x5c h GLU 100 Cb 0.00 -0.02 0.04 0.00 0.50 0.00 0.00 28.75 29.28 1x5c h GLU 100 CO 0.00 0.72 -0.20 -2.13 0.07 0.00 0.00 179.01 177.47 1x5c n ARG 101 N -4.09 -1.96 -4.44 1.06 0.63 -1.26 -5.07 116.66 101.54 1x5c n ARG 101 Ca -0.01 0.23 -0.21 0.00 -0.92 0.00 0.00 57.85 56.94 1x5c n ARG 101 Cb 0.44 -3.43 -0.10 0.00 0.45 0.00 0.00 32.46 29.82 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 -3.10 1.47 0.19 5.15 -4.23 -1.26 -4.98 115.64 108.89 1x5c s THR 102 Ca 0.06 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 1x5c s THR 102 Cb -0.03 -2.57 0.11 0.00 1.34 0.00 0.00 72.50 71.35 1x5c s THR 102 CO 0.20 -0.20 1.77 0.25 -0.54 0.00 0.00 174.62 176.10 1x5c h LEU 103 N 2.22 0.30 -0.19 4.79 5.85 -1.98 0.24 115.31 126.54 1x5c h LEU 103 Ca -0.40 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.17 1x5c h LEU 103 Cb 1.24 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1x5c h LEU 103 CO 0.69 0.20 -0.93 -0.78 -0.34 0.00 0.00 178.44 177.28 1x5c h ASP 104 N 0.45 0.11 -0.30 1.25 3.58 -1.97 -3.28 116.42 116.27 1x5c h ASP 104 Ca 0.26 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.47 1x5c h ASP 104 Cb 0.25 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1x5c h ASP 104 CO -0.23 0.98 -0.30 1.23 -2.88 0.00 0.00 179.24 178.04 1x5c h GLY 105 N 2.34 0.88 0.88 -0.78 0.00 -1.75 -3.12 103.07 101.52 1x5c h GLY 105 Ca -0.03 -0.82 0.02 0.00 0.00 0.00 0.00 47.33 46.50 1x5c h GLY 105 CO 0.13 0.74 0.12 0.74 0.00 0.00 0.00 176.54 178.28 1x5c h PHE 106 N 0.69 0.23 -0.76 5.60 0.04 -0.60 -2.45 116.94 119.68 1x5c h PHE 106 Ca 0.08 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.97 1x5c h PHE 106 Cb 0.84 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.85 1x5c h PHE 106 CO 0.05 0.13 0.38 0.87 -0.60 0.00 0.00 178.31 179.13 1x5c h LYS 107 N 0.26 0.60 -0.43 1.51 1.57 -1.61 -0.75 116.57 117.72 1x5c h LYS 107 Ca 0.11 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1x5c h LYS 107 Cb 0.03 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 1x5c h LYS 107 CO -0.08 0.40 0.11 0.87 -0.57 0.00 0.00 179.45 180.18 1x5c h LYS 108 N 0.62 0.24 -0.16 3.15 1.57 -1.39 0.42 116.57 121.03 1x5c h LYS 108 Ca 0.38 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1x5c h LYS 108 Cb 0.44 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1x5c h LYS 108 CO -0.30 0.16 0.05 0.35 -0.57 0.00 0.00 179.45 179.14 1x5c h PHE 109 N 0.25 0.26 0.55 -1.35 3.57 -1.06 -2.96 116.94 116.20 1x5c h PHE 109 Ca 0.21 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1x5c h PHE 109 Cb 0.24 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 38.91 1x5c h PHE 109 CO -0.19 0.36 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.92 1x5c h LEU 110 N 0.08 -0.62 -1.11 0.59 3.38 -0.73 -2.53 115.31 114.36 1x5c h LEU 110 Ca 0.05 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.44 1x5c h LEU 110 Cb 0.23 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 1x5c h LEU 110 CO -0.00 -0.42 0.70 -0.62 0.09 0.00 0.00 178.44 178.19 1x5c n GLU 111 N -4.14 -0.03 -0.06 1.13 1.02 0.14 0.22 120.64 118.92 1x5c n GLU 111 Ca -0.09 1.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.97 1x5c n GLU 111 Cb 0.29 -2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 29.58 1x5c n GLU 111 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x5c h SER 112 N 0.00 0.52 0.00 1.62 0.02 -1.32 -3.48 113.55 110.91 1x5c h SER 112 Ca 0.73 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1x5c h SER 112 Cb 2.31 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.70 1x5c h SER 112 CO -0.42 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 1x5c n GLY 113 N 0.29 1.82 1.62 -3.77 0.00 0.60 -4.73 105.19 101.02 1x5c n GLY 113 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.30 0.40 3.56 -0.02 0.00 -1.11 -4.59 105.19 103.13 1x5c n GLY 114 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.58 3.57 0.02 1.61 -0.21 -1.26 -3.92 119.66 114.89 1x5c s GLN 115 Ca 0.04 -1.14 -0.22 0.00 0.02 0.00 0.00 55.36 54.06 1x5c s GLN 115 Cb -0.02 -5.36 -0.05 0.00 1.00 0.00 0.00 33.01 28.58 1x5c s GLN 115 CO 0.14 -2.26 0.65 -1.54 -2.12 0.00 0.00 175.29 170.17 1x5c s SER 116 N 5.05 7.06 0.14 5.90 1.04 -1.21 -4.94 113.70 126.74 1x5c s SER 116 Ca 0.47 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1x5c s SER 116 Cb -0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1x5c s SER 116 CO -0.09 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1x5c n GLY 117 N 2.40 0.79 0.00 7.32 0.00 -1.26 -1.18 105.19 113.26 1x5c n GLY 117 Ca -0.05 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.35 1x5c n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5c n PRO 118 N 0.00 0.49 -3.61 1.61 -0.04 -1.26 -4.74 135.00 127.44 1x5c n PRO 118 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1x5c n PRO 118 Cb 0.00 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 1x5c n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5c s SER 119 N -1.86 6.45 -0.46 3.54 0.15 -0.32 -5.07 113.70 116.12 1x5c s SER 119 Ca 0.17 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.40 1x5c s SER 119 Cb 0.08 -2.07 0.12 0.00 -1.71 0.00 0.00 66.02 62.44 1x5c s SER 119 CO 0.13 -0.03 0.20 -0.44 1.20 0.00 0.00 173.24 174.30 1x5c s SER 120 N -2.83 4.29 0.00 5.45 0.01 -1.26 -3.35 113.70 116.01 1x5c s SER 120 Ca 0.41 -2.70 0.00 0.00 1.31 0.00 0.00 55.95 54.96 1x5c s SER 120 Cb -0.11 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1x5c s SER 120 CO 0.27 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.25