#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 6.90 -0.01 1.61 1.04 -1.26 -5.02 113.70 116.96 1x5c s SER 2 Ca 0.00 2.27 0.02 0.00 0.48 0.00 0.00 55.95 58.72 1x5c s SER 2 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1x5c s SER 2 CO 0.00 -0.58 -0.06 -0.44 0.98 0.00 0.00 173.24 173.14 1x5c s SER 3 N 0.91 0.81 0.00 7.02 0.01 -1.26 -5.01 113.70 116.18 1x5c s SER 3 Ca 0.61 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1x5c s SER 3 Cb -0.35 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1x5c s SER 3 CO 0.32 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1x5c n GLY 4 N 3.21 0.01 3.53 3.44 0.00 -1.26 -5.08 105.19 109.04 1x5c n GLY 4 Ca -0.16 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 6.44 -1.06 1.61 0.15 -1.26 -4.94 113.70 114.63 1x5c s SER 5 Ca 0.00 -1.33 -0.23 0.00 0.70 0.00 0.00 55.95 55.09 1x5c s SER 5 Cb 0.00 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1x5c s SER 5 CO 0.00 -1.49 1.76 -0.55 1.20 0.00 0.00 173.24 174.15 1x5c s SER 6 N 4.44 5.83 0.00 5.45 0.15 -1.26 -4.77 113.70 123.54 1x5c s SER 6 Ca 0.40 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1x5c s SER 6 Cb -0.03 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x5c s SER 6 CO -0.04 -2.16 0.00 0.61 1.20 0.00 0.00 173.24 172.85 1x5c n GLY 7 N 6.40 1.04 0.07 9.45 0.00 -1.26 -4.93 105.19 115.96 1x5c n GLY 7 Ca 0.40 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 0.05 -5.67 1.61 0.13 -1.88 -3.45 132.00 122.79 1x5c h PRO 8 Ca 0.00 -0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.45 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 0.52 -0.87 0.54 -0.23 0.00 0.00 178.00 177.96 1x5c s VAL 9 N -4.26 1.88 0.59 1.56 0.11 -1.26 -2.51 120.40 116.51 1x5c s VAL 9 Ca -0.16 -0.96 -0.18 0.00 -2.93 0.00 0.00 61.98 57.76 1x5c s VAL 9 Cb 0.02 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1x5c s VAL 9 CO 0.69 0.53 1.12 -0.75 -3.33 0.00 0.00 175.10 173.35 1x5c s LYS 10 N 0.01 3.12 -0.32 1.54 2.20 -0.92 -4.81 119.74 120.56 1x5c s LYS 10 Ca -0.07 1.52 -0.04 0.00 -0.36 0.00 0.00 55.97 57.02 1x5c s LYS 10 Cb -0.14 -1.98 0.05 0.00 -1.51 0.00 0.00 37.83 34.24 1x5c s LYS 10 CO 0.04 -1.02 0.05 0.08 -0.36 0.00 0.00 175.35 174.15 1x5c s VAL 11 N -2.01 3.35 0.21 4.02 1.01 -1.26 0.01 120.40 125.74 1x5c s VAL 11 Ca 0.70 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1x5c s VAL 11 Cb -0.22 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 1x5c s VAL 11 CO 0.33 -0.15 0.60 -0.76 0.00 0.00 0.00 175.10 175.11 1x5c s LEU 12 N 1.32 4.23 0.24 3.92 1.43 -0.24 -4.95 118.68 124.62 1x5c s LEU 12 Ca -0.03 1.08 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1x5c s LEU 12 Cb -0.20 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 1x5c s LEU 12 CO 0.01 -0.02 -0.08 0.68 0.23 0.00 0.00 176.35 177.17 1x5c s VAL 13 N -1.69 1.53 -0.76 -1.59 -7.23 -1.26 -4.52 120.40 104.88 1x5c s VAL 13 Ca 0.45 -2.13 0.13 0.00 -1.81 0.00 0.00 61.98 58.62 1x5c s VAL 13 Cb -0.13 -2.27 0.13 0.00 0.56 0.00 0.00 36.38 34.67 1x5c s VAL 13 CO 0.20 -0.42 1.42 0.61 -0.31 0.00 0.00 175.10 176.60 1x5c n GLY 14 N -0.47 -0.89 0.09 2.32 0.00 -1.26 0.13 105.19 105.11 1x5c n GLY 14 Ca -0.06 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 0.11 -0.54 1.61 1.63 -1.95 -3.40 116.57 114.03 1x5c h LYS 15 Ca 0.00 -0.19 -0.37 0.00 -0.85 0.00 0.00 60.65 59.24 1x5c h LYS 15 Cb 0.16 0.07 -0.40 0.00 -0.60 0.00 0.00 32.23 31.46 1x5c h LYS 15 CO 0.00 1.09 -0.97 0.27 -3.45 0.00 0.00 179.45 176.39 1x5c n ASN 16 N -4.39 3.02 0.18 4.20 6.94 -1.06 -4.91 115.26 119.24 1x5c n ASN 16 Ca -0.14 -2.83 -0.07 0.00 -0.02 0.00 0.00 54.58 51.52 1x5c n ASN 16 Cb 0.64 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 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 2.32 -0.43 -0.56 -2.53 3.57 0.84 -2.54 116.94 117.62 1x5c h PHE 17 Ca 0.08 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1x5c h PHE 17 Cb 1.40 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 40.23 1x5c h PHE 17 CO 0.65 -0.27 0.24 0.93 -2.23 0.00 0.00 178.31 177.63 1x5c h GLU 18 N -0.55 0.44 -1.02 1.11 5.08 -1.91 1.45 114.58 119.19 1x5c h GLU 18 Ca -0.05 -0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.53 1x5c h GLU 18 Cb 0.36 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 1x5c h GLU 18 CO 0.08 0.29 0.64 0.22 -1.00 0.00 0.00 179.01 179.24 1x5c h ASP 19 N 0.46 0.54 0.00 1.42 1.82 -1.85 1.20 116.42 120.00 1x5c h ASP 19 Ca 0.26 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1x5c h ASP 19 Cb 0.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1x5c h ASP 19 CO -0.23 0.12 -1.58 0.52 -1.61 0.00 0.00 179.24 176.47 1x5c n VAL 20 N -4.69 0.00 -0.05 2.25 0.31 -0.46 -4.63 118.33 111.07 1x5c n VAL 20 Ca 0.25 -0.29 -0.03 0.00 -0.01 0.00 0.00 64.34 64.26 1x5c n VAL 20 Cb 0.79 0.42 -0.01 0.00 -0.91 0.00 0.00 33.84 34.14 1x5c n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5c n ALA 21 N -1.94 0.32 -2.57 3.52 0.00 0.49 -4.67 120.51 115.66 1x5c n ALA 21 Ca -0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1x5c n ALA 21 Cb 0.47 0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 1x5c n ALA 21 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x5c s PHE 22 N -1.83 2.76 0.22 0.00 0.08 0.39 -4.66 117.98 114.93 1x5c s PHE 22 Ca -0.10 -1.57 0.09 0.00 0.12 0.00 0.00 56.93 55.47 1x5c s PHE 22 Cb 0.01 -4.75 -0.04 0.00 -0.57 0.00 0.00 43.02 37.67 1x5c s PHE 22 CO 0.16 -1.81 -0.02 -0.51 -0.10 0.00 0.00 175.22 172.93 1x5c s ASP 23 N 4.29 4.55 0.30 1.36 1.11 -1.26 -4.73 116.67 122.29 1x5c s ASP 23 Ca 0.54 -0.56 -0.07 0.00 0.18 0.00 0.00 52.55 52.64 1x5c s ASP 23 Cb 0.04 -0.87 -0.06 0.00 1.07 0.00 0.00 42.92 43.10 1x5c s ASP 23 CO 0.07 0.05 0.61 -0.70 1.18 0.00 0.00 175.17 176.38 1x5c s GLU 24 N -3.28 3.71 -1.42 8.23 2.12 -1.26 -3.72 118.70 123.07 1x5c s GLU 24 Ca 0.29 0.18 -0.14 0.00 0.36 0.00 0.00 54.97 55.66 1x5c s GLU 24 Cb -0.08 -2.58 0.12 0.00 0.26 0.00 0.00 34.13 31.85 1x5c s GLU 24 CO 0.18 0.18 0.59 1.63 -0.54 0.00 0.00 175.26 177.30 1x5c n LYS 25 N -0.83 -2.95 -3.59 4.30 4.76 -1.26 -4.91 118.16 113.68 1x5c n LYS 25 Ca -0.00 0.36 -0.05 0.00 -2.87 0.00 0.00 58.31 55.74 1x5c n LYS 25 Cb 0.54 -5.04 -0.07 0.00 -1.84 0.00 0.00 35.03 28.61 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 -6.45 0.42 -0.81 1.97 2.47 -1.26 -4.85 119.74 111.24 1x5c s LYS 26 Ca 0.56 1.12 -0.20 0.00 -1.56 0.00 0.00 55.97 55.89 1x5c s LYS 26 Cb -0.31 0.44 0.11 0.00 -1.46 0.00 0.00 37.83 36.62 1x5c s LYS 26 CO 0.69 -0.30 1.03 -0.80 0.16 0.00 0.00 175.35 176.13 1x5c s ASN 27 N 2.71 6.44 -0.15 1.43 0.01 0.21 -3.83 114.94 121.77 1x5c s ASN 27 Ca 0.00 -1.66 -0.13 0.00 -0.71 0.00 0.00 52.86 50.35 1x5c s ASN 27 Cb -0.13 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 1x5c s ASN 27 CO -0.16 -1.18 0.29 -0.69 -1.51 0.00 0.00 177.10 173.85 1x5c s VAL 28 N 3.08 5.30 -0.43 1.60 1.01 -0.90 -1.45 120.40 128.62 1x5c s VAL 28 Ca 0.27 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 1x5c s VAL 28 Cb -0.11 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.76 1x5c s VAL 28 CO -0.02 0.41 0.26 0.12 0.00 0.00 0.00 175.10 175.87 1x5c s PHE 29 N 0.32 3.52 0.48 5.22 5.36 -0.75 -0.81 117.98 131.31 1x5c s PHE 29 Ca 0.17 -2.18 -0.14 0.00 -0.96 0.00 0.00 56.93 53.82 1x5c s PHE 29 Cb -0.13 -3.31 -0.07 0.00 -0.34 0.00 0.00 43.02 39.17 1x5c s PHE 29 CO 0.04 -0.98 0.90 0.08 -1.46 0.00 0.00 175.22 173.81 1x5c s VAL 30 N 1.23 4.65 -0.26 3.12 1.01 -0.92 -2.06 120.40 127.17 1x5c s VAL 30 Ca 0.07 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1x5c s VAL 30 Cb -0.24 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.49 1x5c s VAL 30 CO -0.03 -0.65 0.08 -0.70 0.00 0.00 0.00 175.10 173.81 1x5c s GLU 31 N -4.05 0.58 -0.79 2.72 2.12 -0.76 -2.39 118.70 116.14 1x5c s GLU 31 Ca 0.56 -0.72 -0.26 0.00 0.36 0.00 0.00 54.97 54.90 1x5c s GLU 31 Cb -0.10 -1.86 0.03 0.00 0.26 0.00 0.00 34.13 32.46 1x5c s GLU 31 CO 0.33 -0.87 1.34 -0.06 -0.54 0.00 0.00 175.26 175.46 1x5c s PHE 32 N 1.81 2.29 0.52 5.30 0.08 0.32 -2.53 117.98 125.77 1x5c s PHE 32 Ca 0.06 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.02 1x5c s PHE 32 Cb -0.17 -4.61 0.03 0.00 -0.57 0.00 0.00 43.02 37.70 1x5c s PHE 32 CO -0.21 -2.06 0.45 1.52 -0.10 0.00 0.00 175.22 174.82 1x5c s TYR 33 N 5.79 1.82 -0.02 0.36 -0.85 -1.13 -0.60 117.35 122.72 1x5c s TYR 33 Ca 0.39 -0.75 0.04 0.00 -0.52 0.00 0.00 57.07 56.23 1x5c s TYR 33 Cb -0.07 -2.01 -0.01 0.00 0.38 0.00 0.00 41.96 40.26 1x5c s TYR 33 CO 0.11 -0.50 -0.14 0.00 -1.52 0.00 0.00 175.55 173.49 1x5c s ALA 34 N -2.69 1.23 -1.48 9.51 0.00 -1.26 -3.15 121.76 123.92 1x5c s ALA 34 Ca 0.41 -0.58 0.15 0.00 0.00 0.00 0.00 51.96 51.94 1x5c s ALA 34 Cb -0.03 -0.37 0.76 0.00 0.00 0.00 0.00 23.12 23.48 1x5c s ALA 34 CO 0.25 0.25 1.40 -0.35 0.00 0.00 0.00 175.76 177.32 1x5c n PRO 35 N 2.99 0.23 0.00 0.00 -0.04 -1.26 -3.47 135.00 133.45 1x5c n PRO 35 Ca -0.16 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 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 -1.26 0.00 -1.64 0.54 4.27 -1.26 -5.04 117.44 113.05 1x5c n TRP 36 Ca 0.07 0.00 -0.63 0.00 -3.89 0.00 0.00 57.50 53.05 1x5c n TRP 36 Cb 0.11 0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 29.99 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 4.26 -0.31 0.57 0.00 0.00 -1.95 -2.14 103.07 103.51 1x5c h GLY 38 Ca -0.47 0.11 0.14 0.00 0.00 0.00 0.00 47.33 47.11 1x5c h GLY 38 CO 0.83 -0.11 0.56 0.45 0.00 0.00 0.00 176.54 178.28 1x5c h HIS 39 N -0.46 0.80 -0.41 5.60 3.86 -1.91 -1.19 115.15 121.44 1x5c h HIS 39 Ca -0.03 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1x5c h HIS 39 Cb 0.35 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1x5c h HIS 39 CO -0.01 0.31 0.03 0.00 0.86 0.00 0.00 177.93 179.11 1x5c h LYS 41 N 0.53 0.00 0.00 0.00 1.57 -0.53 1.05 116.57 119.19 1x5c h LYS 41 Ca 0.12 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 1x5c h LYS 41 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1x5c h LYS 41 CO 0.02 0.00 -0.98 1.96 -0.57 0.00 0.00 179.45 179.87 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.43 -3.29 115.11 114.62 1x5c h GLN 42 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1x5c h GLN 42 Cb 1.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 1x5c h GLN 42 CO -0.00 0.32 -0.13 1.25 -0.95 0.00 0.00 178.83 179.31 1x5c h LEU 43 N 0.00 0.00 -0.28 1.46 5.85 0.12 -3.33 115.31 119.14 1x5c h LEU 43 Ca -0.08 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1x5c h LEU 43 Cb 1.42 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.37 1x5c h LEU 43 CO 0.05 0.01 -0.29 0.00 -0.34 0.00 0.00 178.44 177.86 1x5c h ALA 44 N 2.18 -0.21 0.04 1.25 0.00 -1.36 0.51 119.26 121.67 1x5c h ALA 44 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x5c h ALA 44 Cb 0.91 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1x5c h ALA 44 CO 0.00 -0.72 -0.02 -1.00 0.00 0.00 0.00 179.25 177.51 1x5c h PRO 45 N -0.29 -0.05 -0.91 0.00 0.13 -1.79 -1.97 132.00 127.12 1x5c h PRO 45 Ca 0.14 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.38 1x5c h PRO 45 Cb 0.51 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.59 1x5c h PRO 45 CO -0.44 0.41 0.59 0.82 -0.23 0.00 0.00 178.00 179.15 1x5c h ILE 46 N -0.54 0.95 -0.13 -3.56 2.04 -1.62 0.12 117.51 114.77 1x5c h ILE 46 Ca -0.01 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 1x5c h ILE 46 Cb 0.49 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1x5c h ILE 46 CO 0.01 0.16 -0.65 -0.25 0.00 0.00 0.00 178.15 177.42 1x5c h TRP 47 N 0.89 0.63 0.00 1.37 2.91 0.01 -2.60 115.95 119.16 1x5c h TRP 47 Ca 0.43 -0.25 -0.09 0.00 1.13 0.00 0.00 58.89 60.10 1x5c h TRP 47 Cb 0.45 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 1x5c h TRP 47 CO -0.00 1.00 -0.44 0.22 -1.03 0.00 0.00 178.44 178.18 1x5c h ASP 48 N 0.35 0.00 1.15 2.65 3.58 -0.39 -1.37 116.42 122.40 1x5c h ASP 48 Ca -0.01 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.29 1x5c h ASP 48 Cb 1.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1x5c h ASP 48 CO 0.12 0.44 -0.70 0.11 -2.88 0.00 0.00 179.24 176.32 1x5c h LYS 49 N 0.00 0.00 0.15 0.28 1.57 -0.70 -3.18 116.57 114.68 1x5c h LYS 49 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1x5c h LYS 49 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1x5c h LYS 49 CO 0.06 0.70 -1.61 1.25 -0.57 0.00 0.00 179.45 179.28 1x5c h LEU 50 N 0.00 0.48 -0.74 2.94 5.85 -1.30 -3.33 115.31 119.22 1x5c h LEU 50 Ca -0.01 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.05 1x5c h LEU 50 Cb 1.47 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1x5c h LEU 50 CO 0.09 1.57 0.47 1.23 -0.34 0.00 0.00 178.44 181.47 1x5c h GLY 51 N 1.30 1.05 2.00 3.75 0.00 -1.33 -1.57 103.07 108.27 1x5c h GLY 51 Ca -0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1x5c h GLY 51 CO 0.17 0.33 -0.10 1.05 0.00 0.00 0.00 176.54 177.99 1x5c h GLU 52 N 0.94 0.00 -0.51 4.80 4.11 -1.47 0.46 114.58 122.92 1x5c h GLU 52 Ca 0.28 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.59 1x5c h GLU 52 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1x5c h GLU 52 CO -0.09 0.10 -0.16 1.15 0.07 0.00 0.00 179.01 180.09 1x5c h THR 53 N 0.00 1.27 -0.45 -1.06 2.02 -1.39 -3.15 112.91 110.15 1x5c h THR 53 Ca -0.00 -1.32 -0.28 0.00 0.77 0.00 0.00 66.41 65.59 1x5c h THR 53 Cb 0.21 1.03 -0.17 0.00 -1.74 0.00 0.00 68.15 67.48 1x5c h THR 53 CO 0.01 0.46 -0.18 -1.22 0.37 0.00 0.00 175.52 174.97 1x5c n TYR 54 N -4.13 1.48 0.09 3.16 4.02 -0.87 -4.63 117.16 116.27 1x5c n TYR 54 Ca 0.01 -1.84 -0.07 0.00 -0.01 0.00 0.00 57.90 55.99 1x5c n TYR 54 Cb 0.43 -0.53 -0.01 0.00 -0.02 0.00 0.00 39.34 39.20 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 1.30 0.12 -0.15 -0.72 2.10 -0.88 -3.27 116.57 115.07 1x5c h LYS 55 Ca 0.27 -0.14 -0.04 0.00 -2.00 0.00 0.00 60.65 58.73 1x5c h LYS 55 Cb 1.52 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.87 1x5c h LYS 55 CO 0.53 0.92 -0.10 -0.40 -2.00 0.00 0.00 179.45 178.40 1x5c n ASP 56 N -3.60 2.70 -3.12 7.07 5.68 -1.26 -4.90 116.55 119.12 1x5c n ASP 56 Ca -0.03 -3.36 -0.17 0.00 -0.50 0.00 0.00 54.79 50.73 1x5c n ASP 56 Cb 0.82 -0.52 0.16 0.00 -1.14 0.00 0.00 41.12 40.43 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x5c n HIS 57 N -1.06 -3.22 -0.12 2.11 -0.00 -1.23 -5.02 115.22 106.68 1x5c n HIS 57 Ca 0.22 -0.51 -0.22 0.00 0.46 0.00 0.00 57.72 57.67 1x5c n HIS 57 Cb 0.81 -0.69 -0.10 0.00 -0.12 0.00 0.00 29.99 29.89 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 -3.87 0.55 0.00 1.57 0.00 -1.26 -4.81 120.64 112.82 1x5c n GLU 58 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.43 1x5c n GLU 58 Cb 0.34 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.37 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1x5c n ASN 59 N -3.69 4.83 -4.63 -1.84 0.23 -1.26 -4.98 115.26 103.91 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 0.88 0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 39.17 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 -1.96 4.63 -0.23 1.53 1.01 -1.26 0.65 121.20 125.59 1x5c s ILE 60 Ca 0.00 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.16 1x5c s ILE 60 Cb 0.00 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.23 1x5c s ILE 60 CO 0.00 -0.37 0.01 -0.69 0.00 0.00 0.00 174.94 173.89 1x5c s VAL 61 N 3.34 0.95 0.30 2.92 1.01 -0.53 -4.25 120.40 124.14 1x5c s VAL 61 Ca 0.40 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1x5c s VAL 61 Cb -0.13 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 1x5c s VAL 61 CO 0.14 -0.24 0.98 -0.63 0.00 0.00 0.00 175.10 175.35 1x5c s ILE 62 N 1.65 4.00 -0.00 2.22 -1.09 -1.26 -1.81 121.20 124.91 1x5c s ILE 62 Ca -0.01 1.80 -0.17 0.00 -2.23 0.00 0.00 60.65 60.04 1x5c s ILE 62 Cb -0.18 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1x5c s ILE 62 CO -0.10 0.27 0.36 0.00 -1.23 0.00 0.00 174.94 174.25 1x5c s ALA 63 N -1.41 -0.90 0.02 9.38 0.00 -0.87 -2.15 121.76 125.81 1x5c s ALA 63 Ca 0.47 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.88 1x5c s ALA 63 Cb -0.23 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1x5c s ALA 63 CO 0.29 -0.32 -0.18 -1.59 0.00 0.00 0.00 175.76 173.97 1x5c s LYS 64 N -1.62 1.30 -0.03 0.00 -2.85 0.10 -1.82 119.74 114.82 1x5c s LYS 64 Ca -0.11 -0.76 -0.02 0.00 -1.00 0.00 0.00 55.97 54.08 1x5c s LYS 64 Cb -0.04 -1.32 0.01 0.00 -2.06 0.00 0.00 37.83 34.42 1x5c s LYS 64 CO 0.03 0.35 0.08 1.41 0.10 0.00 0.00 175.35 177.32 1x5c s MET 65 N -0.82 0.08 -0.61 1.78 1.75 -1.05 -1.08 119.30 119.35 1x5c s MET 65 Ca 0.06 0.13 -0.24 0.00 -1.25 0.00 0.00 55.69 54.39 1x5c s MET 65 Cb -0.08 0.01 0.05 0.00 2.84 0.00 0.00 34.83 37.66 1x5c s MET 65 CO 0.01 -0.03 0.96 0.34 -0.65 0.00 0.00 175.02 175.65 1x5c s ASP 66 N 0.18 6.25 0.40 1.11 -1.08 -1.26 -2.82 116.67 119.46 1x5c s ASP 66 Ca -0.01 -0.64 0.12 0.00 -0.52 0.00 0.00 52.55 51.50 1x5c s ASP 66 Cb -0.02 -2.43 0.82 0.00 -1.46 0.00 0.00 42.92 39.83 1x5c s ASP 66 CO -0.01 -1.35 1.91 -1.28 0.52 0.00 0.00 175.17 174.97 1x5c h SER 67 N 9.46 0.10 1.33 -0.34 0.87 -1.69 1.10 113.55 124.37 1x5c h SER 67 Ca -0.27 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x5c h SER 67 Cb 1.07 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x5c h SER 67 CO 1.14 0.33 0.00 0.71 -0.53 0.00 0.00 176.83 178.48 1x5c h THR 68 N 0.10 0.00 0.00 2.23 1.35 -1.90 -3.20 112.91 111.49 1x5c h THR 68 Ca 0.02 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1x5c h THR 68 Cb 0.45 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1x5c h THR 68 CO 0.03 0.00 -0.71 0.00 -0.25 0.00 0.00 175.52 174.59 1x5c n ALA 69 N -1.85 2.66 -3.77 6.62 0.00 -0.64 -4.99 120.51 118.54 1x5c n ALA 69 Ca 0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1x5c n ALA 69 Cb 0.39 -0.25 -0.16 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.10 0.10 -0.02 0.00 0.01 0.37 -4.95 114.94 108.36 1x5c s ASN 70 Ca 0.01 0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.27 1x5c s ASN 70 Cb 0.05 -0.07 -0.02 0.00 0.41 0.00 0.00 41.25 41.62 1x5c s ASN 70 CO 0.29 -0.13 -0.23 -1.83 -1.51 0.00 0.00 177.10 173.68 1x5c s GLU 71 N 1.12 2.16 -0.05 -0.60 -1.05 -1.26 -4.09 118.70 114.93 1x5c s GLU 71 Ca -0.09 -0.90 -0.06 0.00 -0.15 0.00 0.00 54.97 53.77 1x5c s GLU 71 Cb -0.13 -2.11 0.01 0.00 -0.44 0.00 0.00 34.13 31.46 1x5c s GLU 71 CO -0.03 0.57 0.16 0.14 0.95 0.00 0.00 175.26 177.05 1x5c s VAL 72 N -0.67 0.02 -0.00 1.83 -7.23 -1.26 -4.88 120.40 108.21 1x5c s VAL 72 Ca 0.11 -0.18 0.20 0.00 -1.81 0.00 0.00 61.98 60.30 1x5c s VAL 72 Cb -0.10 -0.29 0.17 0.00 0.56 0.00 0.00 36.38 36.72 1x5c s VAL 72 CO -0.00 -0.10 1.67 1.05 -0.31 0.00 0.00 175.10 177.41 1x5c h GLU 73 N 5.46 0.00 0.00 4.82 4.11 -2.00 -2.97 114.58 124.00 1x5c h GLU 73 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1x5c h GLU 73 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1x5c h GLU 73 CO 0.40 0.32 0.00 0.00 0.07 0.00 0.00 179.01 179.80 1x5c h ALA 74 N 1.68 1.00 -2.11 1.06 0.00 -1.99 -3.40 119.26 115.50 1x5c h ALA 74 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1x5c h ALA 74 Cb 1.00 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.53 1x5c h ALA 74 CO 0.04 0.00 -0.33 0.08 0.00 0.00 0.00 179.25 179.04 1x5c s VAL 75 N -3.49 -0.75 -0.37 0.00 1.01 -1.12 -4.99 120.40 110.70 1x5c s VAL 75 Ca 0.01 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1x5c s VAL 75 Cb 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1x5c s VAL 75 CO 0.35 0.01 0.24 -0.54 0.00 0.00 0.00 175.10 175.16 1x5c s LYS 76 N 2.68 3.09 -0.21 2.72 -0.14 -1.26 -4.33 119.74 122.29 1x5c s LYS 76 Ca 0.03 -0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 53.67 1x5c s LYS 76 Cb -0.13 -3.80 -0.03 0.00 -1.68 0.00 0.00 37.83 32.19 1x5c s LYS 76 CO -0.16 -0.62 0.02 0.08 -0.76 0.00 0.00 175.35 173.91 1x5c s VAL 77 N 1.64 4.08 -0.16 3.17 1.01 -1.26 -4.97 120.40 123.91 1x5c s VAL 77 Ca 0.04 -0.26 0.17 0.00 0.00 0.00 0.00 61.98 61.92 1x5c s VAL 77 Cb -0.18 -2.86 0.36 0.00 0.00 0.00 0.00 36.38 33.69 1x5c s VAL 77 CO 0.08 0.41 1.21 1.41 0.00 0.00 0.00 175.10 178.22 1x5c n HIS 78 N 4.37 0.17 -3.65 5.22 -0.00 -1.26 -5.04 115.22 115.03 1x5c n HIS 78 Ca -0.17 -1.12 -0.05 0.00 -0.00 0.00 0.00 57.72 56.38 1x5c n HIS 78 Cb 0.52 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.99 30.28 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 -2.82 -0.24 -0.02 0.41 1.04 -1.26 -5.19 113.70 105.61 1x5c s SER 79 Ca 0.35 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.25 1x5c s SER 79 Cb 0.31 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.93 1x5c s SER 79 CO 0.02 -0.75 0.69 -0.36 0.98 0.00 0.00 173.24 173.81 1x5c s PHE 80 N -3.16 -0.62 0.34 5.02 0.08 -1.26 -4.02 117.98 114.36 1x5c s PHE 80 Ca 0.10 0.97 -0.28 0.00 0.12 0.00 0.00 56.93 57.84 1x5c s PHE 80 Cb -0.01 0.44 -0.09 0.00 -0.57 0.00 0.00 43.02 42.78 1x5c s PHE 80 CO -0.02 -0.63 1.21 -1.25 -0.10 0.00 0.00 175.22 174.43 1x5c s PRO 81 N -1.59 4.31 -0.13 0.24 0.04 -1.26 -4.81 135.00 131.80 1x5c s PRO 81 Ca -0.08 2.00 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1x5c s PRO 81 Cb -0.00 -2.96 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1x5c s PRO 81 CO 0.06 -0.14 -0.20 0.99 0.04 0.00 0.00 177.00 177.75 1x5c s THR 82 N -1.24 1.86 -0.06 1.26 2.01 0.23 -5.02 115.64 114.68 1x5c s THR 82 Ca 0.51 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1x5c s THR 82 Cb -0.35 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1x5c s THR 82 CO 0.45 0.51 -0.13 -0.76 -0.69 0.00 0.00 174.62 174.01 1x5c s LEU 83 N 0.85 2.82 -0.03 4.42 1.43 -1.26 0.12 118.68 127.03 1x5c s LEU 83 Ca -0.08 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1x5c s LEU 83 Cb -0.15 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1x5c s LEU 83 CO -0.01 0.34 0.04 -0.54 0.23 0.00 0.00 176.35 176.40 1x5c s LYS 84 N -0.66 0.03 -0.16 1.70 1.02 -1.01 -3.16 119.74 117.50 1x5c s LYS 84 Ca 0.10 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.16 1x5c s LYS 84 Cb -0.11 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 1x5c s LYS 84 CO 0.01 -0.24 0.46 0.12 -0.92 0.00 0.00 175.35 174.78 1x5c s PHE 85 N 1.55 3.45 -0.38 3.18 5.36 0.16 -2.16 117.98 129.14 1x5c s PHE 85 Ca -0.03 0.78 -0.09 0.00 -0.96 0.00 0.00 56.93 56.63 1x5c s PHE 85 Cb -0.13 -2.56 0.05 0.00 -0.34 0.00 0.00 43.02 40.04 1x5c s PHE 85 CO -0.03 0.07 0.19 -0.06 -1.46 0.00 0.00 175.22 173.94 1x5c s PHE 86 N 1.00 3.27 0.76 10.12 0.08 0.01 0.05 117.98 133.28 1x5c s PHE 86 Ca 0.23 -1.26 -0.11 0.00 0.12 0.00 0.00 56.93 55.91 1x5c s PHE 86 Cb -0.15 -2.54 0.05 0.00 -0.57 0.00 0.00 43.02 39.81 1x5c s PHE 86 CO 0.09 -0.73 1.09 -1.25 -0.10 0.00 0.00 175.22 174.32 1x5c s PRO 87 N 1.47 2.30 -1.23 0.24 0.04 -1.26 -2.11 135.00 134.44 1x5c s PRO 87 Ca 0.01 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 1x5c s PRO 87 Cb -0.20 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1x5c s PRO 87 CO 0.04 -1.61 1.83 0.00 0.04 0.00 0.00 177.00 177.30 1x5c s ALA 88 N -2.84 2.54 0.08 8.56 0.00 -1.25 -4.78 121.76 124.07 1x5c s ALA 88 Ca 0.62 -2.52 0.03 0.00 0.00 0.00 0.00 51.96 50.09 1x5c s ALA 88 Cb -0.18 -4.66 -0.03 0.00 0.00 0.00 0.00 23.12 18.25 1x5c s ALA 88 CO 0.54 -4.28 -0.09 0.45 0.00 0.00 0.00 175.76 172.39 1x5c s SER 89 N 5.40 1.25 -0.12 0.00 0.15 -1.24 -4.14 113.70 114.99 1x5c s SER 89 Ca 0.61 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 56.49 1x5c s SER 89 Cb 0.01 0.03 0.19 0.00 -1.71 0.00 0.00 66.02 64.55 1x5c s SER 89 CO 0.10 -0.29 1.21 0.00 1.20 0.00 0.00 173.24 175.46 1x5c n ALA 90 N 0.66 3.30 -4.07 5.45 0.00 -1.26 -4.25 120.51 120.34 1x5c n ALA 90 Ca -0.17 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.33 1x5c n ALA 90 Cb 0.58 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 0.06 0.95 -2.29 0.00 9.92 -1.26 -5.05 116.55 118.88 1x5c n ASP 91 Ca 0.16 -2.37 -0.33 0.00 -0.53 0.00 0.00 54.79 51.72 1x5c n ASP 91 Cb 0.79 0.69 0.07 0.00 -0.64 0.00 0.00 41.12 42.04 1x5c n ASP 91 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1x5c n ARG 92 N -0.56 2.59 -2.47 -1.24 3.00 -1.26 -4.88 116.66 111.83 1x5c n ARG 92 Ca -0.03 -3.09 -0.39 0.00 -0.00 0.00 0.00 57.85 54.34 1x5c n ARG 92 Cb 0.38 -2.21 -0.04 0.00 0.00 0.00 0.00 32.46 30.59 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1x5c s THR 93 N -4.53 3.49 -0.04 5.15 2.01 -1.26 -5.05 115.64 115.41 1x5c s THR 93 Ca 0.61 1.42 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1x5c s THR 93 Cb 0.48 -3.87 0.03 0.00 0.01 0.00 0.00 72.50 69.14 1x5c s THR 93 CO -0.02 0.27 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.49 1x5c s VAL 94 N -1.27 0.29 -0.16 3.82 1.01 -1.26 -4.50 120.40 118.32 1x5c s VAL 94 Ca 0.48 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1x5c s VAL 94 Cb -0.30 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1x5c s VAL 94 CO 0.39 0.18 0.09 -0.63 0.00 0.00 0.00 175.10 175.13 1x5c s ILE 95 N 1.18 5.09 0.40 2.22 1.01 0.11 -4.96 121.20 126.24 1x5c s ILE 95 Ca -0.07 0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 1x5c s ILE 95 Cb -0.13 -3.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 1x5c s ILE 95 CO -0.02 0.51 0.97 -0.62 0.00 0.00 0.00 174.94 175.78 1x5c s ASP 96 N -0.11 7.00 -0.32 3.58 -1.08 -1.26 0.38 116.67 124.86 1x5c s ASP 96 Ca 0.08 1.80 -0.03 0.00 -0.52 0.00 0.00 52.55 53.88 1x5c s ASP 96 Cb -0.12 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 38.84 1x5c s ASP 96 CO 0.01 -0.31 0.05 -0.47 0.52 0.00 0.00 175.17 174.96 1x5c s TYR 97 N -1.92 3.31 -0.60 -5.34 6.14 -1.19 -4.79 117.35 112.96 1x5c s TYR 97 Ca 0.58 -1.87 0.06 0.00 0.64 0.00 0.00 57.07 56.48 1x5c s TYR 97 Cb -0.14 -2.30 0.22 0.00 0.42 0.00 0.00 41.96 40.15 1x5c s TYR 97 CO 0.19 -0.81 0.60 0.09 0.64 0.00 0.00 175.55 176.25 1x5c n ASN 98 N 4.65 2.61 0.00 4.32 3.02 -1.26 -4.77 115.26 123.83 1x5c n ASN 98 Ca -0.11 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 1x5c n ASN 98 Cb 0.43 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.46 5.37 0.23 7.41 0.00 -1.26 -5.01 105.19 113.39 1x5c n GLY 99 Ca 0.26 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 -5.95 1.61 4.11 -1.97 -3.47 114.58 108.92 1x5c h GLU 100 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.03 1x5c h GLU 100 Cb 0.00 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.34 1x5c h GLU 100 CO 0.00 0.00 -0.76 -2.13 0.07 0.00 0.00 179.01 176.19 1x5c n ARG 101 N -2.87 -6.35 -4.51 1.06 0.63 -1.26 -5.00 116.66 98.36 1x5c n ARG 101 Ca 0.02 0.74 -0.25 0.00 -0.92 0.00 0.00 57.85 57.43 1x5c n ARG 101 Cb 0.34 -5.63 -0.13 0.00 0.45 0.00 0.00 32.46 27.49 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 -3.41 1.72 0.22 5.15 -4.23 -1.26 -4.97 115.64 108.84 1x5c s THR 102 Ca 0.30 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1x5c s THR 102 Cb -0.14 -1.52 0.35 0.00 1.34 0.00 0.00 72.50 72.53 1x5c s THR 102 CO 0.77 0.11 1.21 -0.11 -0.54 0.00 0.00 174.62 176.06 1x5c n LEU 103 N 1.53 -0.29 0.02 4.79 7.94 -1.26 0.21 117.00 129.94 1x5c n LEU 103 Ca -0.18 1.34 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 1x5c n LEU 103 Cb 0.53 -0.40 0.01 0.00 0.53 0.00 0.00 43.42 44.10 1x5c n LEU 103 CO 0.23 -1.28 0.37 -0.78 -1.11 0.00 0.00 177.39 174.82 1x5c h ASP 104 N 0.00 0.63 -0.26 1.96 1.82 -1.96 -3.16 116.42 115.46 1x5c h ASP 104 Ca 0.37 -0.39 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1x5c h ASP 104 Cb 0.56 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1x5c h ASP 104 CO -0.80 1.14 0.08 1.23 -1.61 0.00 0.00 179.24 179.28 1x5c h GLY 105 N 1.05 0.53 0.93 -0.78 0.00 0.21 -2.75 103.07 102.26 1x5c h GLY 105 Ca -0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1x5c h GLY 105 CO 0.13 0.26 0.01 0.74 0.00 0.00 0.00 176.54 177.67 1x5c h PHE 106 N 0.49 0.70 -0.88 5.60 0.04 -0.35 -2.86 116.94 119.68 1x5c h PHE 106 Ca 0.11 -0.12 0.11 0.00 2.80 0.00 0.00 57.97 60.88 1x5c h PHE 106 Cb 0.20 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 1x5c h PHE 106 CO 0.01 0.73 0.57 0.87 -0.60 0.00 0.00 178.31 179.89 1x5c h LYS 107 N 0.46 0.81 0.12 1.51 1.57 -1.49 -0.69 116.57 118.87 1x5c h LYS 107 Ca 0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1x5c h LYS 107 Cb 0.45 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1x5c h LYS 107 CO 0.02 0.53 -0.06 0.87 -0.57 0.00 0.00 179.45 180.24 1x5c h LYS 108 N 0.83 -0.16 -0.67 3.15 1.57 -1.38 0.31 116.57 120.22 1x5c h LYS 108 Ca 0.42 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1x5c h LYS 108 Cb 0.48 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1x5c h LYS 108 CO -0.18 0.06 0.41 0.35 -0.57 0.00 0.00 179.45 179.52 1x5c h PHE 109 N -0.36 0.77 0.37 -1.35 3.57 -1.19 -2.07 116.94 116.68 1x5c h PHE 109 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1x5c h PHE 109 Cb 0.29 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1x5c h PHE 109 CO -0.01 0.44 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.26 1x5c h LEU 110 N 0.81 -0.42 -0.95 0.59 3.38 -1.06 -1.05 115.31 116.61 1x5c h LEU 110 Ca 0.27 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.64 1x5c h LEU 110 Cb 0.03 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 40.72 1x5c h LEU 110 CO -0.11 -0.16 0.46 -0.62 0.09 0.00 0.00 178.44 178.09 1x5c n GLU 111 N -4.11 -0.06 -0.09 1.13 1.02 0.11 0.13 120.64 118.77 1x5c n GLU 111 Ca -0.06 1.33 -0.11 0.00 -0.02 0.00 0.00 57.16 58.30 1x5c n GLU 111 Cb 0.20 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.22 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 0.42 0.00 1.62 0.02 -1.38 -3.47 113.55 110.76 1x5c h SER 112 Ca 0.78 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1x5c h SER 112 Cb 2.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1x5c h SER 112 CO -0.75 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.10 1x5c n GLY 113 N -0.50 1.50 2.14 -3.77 0.00 0.35 -4.74 105.19 100.17 1x5c n GLY 113 Ca -0.03 0.00 -0.07 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 0.00 0.10 3.47 -0.02 0.00 -0.42 -4.90 105.19 103.42 1x5c n GLY 114 Ca 0.00 -0.59 -0.48 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.72 1.09 -1.42 1.61 6.02 -1.26 -4.81 117.38 116.90 1x5c n GLN 115 Ca -0.08 0.27 -0.25 0.00 -0.01 0.00 0.00 57.00 56.92 1x5c n GLN 115 Cb 0.55 -2.58 -0.08 0.00 1.02 0.00 0.00 30.24 29.15 1x5c n GLN 115 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1x5c n SER 116 N 10.72 6.37 -4.46 1.08 3.41 -1.26 -4.91 113.62 124.57 1x5c n SER 116 Ca 0.41 -3.02 -0.31 0.00 -0.26 0.00 0.00 58.87 55.69 1x5c n SER 116 Cb 0.27 -1.29 -0.13 0.00 -0.26 0.00 0.00 64.21 62.80 1x5c n SER 116 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5c s GLY 117 N 0.77 1.55 0.43 5.00 0.00 -1.26 -5.01 107.32 108.80 1x5c s GLY 117 Ca 0.61 -1.12 0.30 0.00 0.00 0.00 0.00 44.72 44.51 1x5c s GLY 117 CO -0.16 -0.97 1.88 -0.56 0.00 0.00 0.00 173.10 173.29 1x5c h PRO 118 N 4.82 0.00 -6.39 2.90 0.13 -2.03 -3.41 132.00 128.02 1x5c h PRO 118 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1x5c h PRO 118 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 1x5c h PRO 118 CO 0.49 0.00 0.78 -1.12 -0.23 0.00 0.00 178.00 177.92 1x5c s SER 119 N -5.07 6.51 -0.62 1.44 0.01 -1.26 -4.97 113.70 109.73 1x5c s SER 119 Ca 0.02 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.44 1x5c s SER 119 Cb 0.09 -2.50 0.16 0.00 0.21 0.00 0.00 66.02 63.98 1x5c s SER 119 CO 0.47 -1.24 0.42 -0.55 0.41 0.00 0.00 173.24 172.75 1x5c s SER 120 N 2.57 4.99 0.00 2.44 0.15 -1.26 -5.13 113.70 117.46 1x5c s SER 120 Ca 0.41 -3.04 0.14 0.00 0.70 0.00 0.00 55.95 54.15 1x5c s SER 120 Cb -0.09 -1.78 0.82 0.00 -1.71 0.00 0.00 66.02 63.26 1x5c s SER 120 CO 0.27 -0.29 1.25 0.61 1.20 0.00 0.00 173.24 176.27