#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 0.64 0.28 1.61 1.04 -1.26 -5.04 113.70 110.96 1x5c s SER 2 Ca 0.00 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1x5c s SER 2 Cb 0.00 -0.08 0.65 0.00 0.10 0.00 0.00 66.02 66.69 1x5c s SER 2 CO 0.00 0.06 1.68 0.77 0.98 0.00 0.00 173.24 176.73 1x5c h SER 3 N 6.04 0.13 -0.43 7.02 4.64 -2.04 -2.28 113.55 126.64 1x5c h SER 3 Ca -0.28 0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1x5c h SER 3 Cb 1.19 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.41 1x5c h SER 3 CO 0.50 -0.06 -0.35 1.23 -0.87 0.00 0.00 176.83 177.27 1x5c h GLY 4 N 0.30 -1.47 -7.39 -0.77 0.00 -2.07 -3.24 103.07 88.43 1x5c h GLY 4 Ca 0.52 0.85 -0.69 0.00 0.00 0.00 0.00 47.33 48.01 1x5c h GLY 4 CO -0.57 -0.36 -0.30 -0.56 0.00 0.00 0.00 176.54 174.75 1x5c s SER 5 N -4.34 5.41 0.20 0.19 0.01 -0.86 -5.04 113.70 109.28 1x5c s SER 5 Ca -0.08 -3.35 -0.18 0.00 1.31 0.00 0.00 55.95 53.65 1x5c s SER 5 Cb 0.06 -1.83 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1x5c s SER 5 CO 0.38 -0.25 0.54 -0.44 0.41 0.00 0.00 173.24 173.89 1x5c s SER 6 N -0.00 -0.27 0.25 2.44 0.01 -1.21 -4.42 113.70 110.50 1x5c s SER 6 Ca 0.22 -0.48 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1x5c s SER 6 Cb -0.13 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1x5c s SER 6 CO -0.08 -1.08 0.44 -0.83 0.41 0.00 0.00 173.24 172.10 1x5c s GLY 7 N -2.87 0.72 -0.02 3.44 0.00 -1.26 -5.04 107.32 102.29 1x5c s GLY 7 Ca 0.09 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 43.53 1x5c s GLY 7 CO -0.02 -0.75 1.27 -0.56 0.00 0.00 0.00 173.10 173.04 1x5c h PRO 8 N 2.28 0.02 -5.57 2.90 0.13 -1.90 -3.44 132.00 126.41 1x5c h PRO 8 Ca -0.27 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.17 1x5c h PRO 8 Cb 1.25 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 1x5c h PRO 8 CO 0.38 0.50 -0.88 0.54 -0.23 0.00 0.00 178.00 178.31 1x5c s VAL 9 N -4.26 2.02 0.55 1.56 0.11 -1.26 -2.94 120.40 116.19 1x5c s VAL 9 Ca -0.16 -1.02 -0.20 0.00 -2.93 0.00 0.00 61.98 57.67 1x5c s VAL 9 Cb 0.02 -1.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.09 1x5c s VAL 9 CO 0.68 0.56 1.22 -0.75 -3.33 0.00 0.00 175.10 173.47 1x5c s LYS 10 N 0.15 3.19 -0.39 1.54 2.36 -0.97 -4.80 119.74 120.83 1x5c s LYS 10 Ca -0.13 1.86 -0.04 0.00 -2.55 0.00 0.00 55.97 55.11 1x5c s LYS 10 Cb -0.16 -2.08 0.09 0.00 -1.05 0.00 0.00 37.83 34.62 1x5c s LYS 10 CO 0.07 -1.04 0.17 0.08 1.55 0.00 0.00 175.35 176.18 1x5c s VAL 11 N -1.55 3.49 0.28 4.02 1.01 -1.26 -0.05 120.40 126.34 1x5c s VAL 11 Ca 0.73 -1.70 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1x5c s VAL 11 Cb -0.31 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1x5c s VAL 11 CO 0.35 -0.50 0.75 -0.76 0.00 0.00 0.00 175.10 174.95 1x5c s LEU 12 N 1.25 4.21 0.27 3.92 1.43 -0.07 -4.95 118.68 124.74 1x5c s LEU 12 Ca 0.04 1.40 0.06 0.00 -1.03 0.00 0.00 54.13 54.60 1x5c s LEU 12 Cb -0.22 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 1x5c s LEU 12 CO -0.02 -0.09 -0.04 0.68 0.23 0.00 0.00 176.35 177.11 1x5c s VAL 13 N -1.75 1.49 -1.86 -1.59 -7.23 -1.26 -4.39 120.40 103.80 1x5c s VAL 13 Ca 0.49 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.65 1x5c s VAL 13 Cb -0.14 -2.42 0.24 0.00 0.56 0.00 0.00 36.38 34.62 1x5c s VAL 13 CO 0.19 -0.31 1.05 0.61 -0.31 0.00 0.00 175.10 176.33 1x5c n GLY 14 N -0.54 -0.37 0.08 2.32 0.00 -1.26 0.19 105.19 105.62 1x5c n GLY 14 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.07 0.49 -1.48 1.61 3.00 -1.26 -4.61 118.16 114.84 1x5c n LYS 15 Ca 0.06 0.51 -0.11 0.00 -0.00 0.00 0.00 58.31 58.78 1x5c n LYS 15 Cb 0.04 -1.69 0.10 0.00 0.00 0.00 0.00 35.03 33.48 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x5c n ASN 16 N -4.54 3.50 0.35 3.14 6.94 -1.15 -4.83 115.26 118.67 1x5c n ASN 16 Ca -0.17 -3.73 -0.14 0.00 -0.02 0.00 0.00 54.58 50.52 1x5c n ASN 16 Cb 0.43 -0.42 -0.07 0.00 -2.36 0.00 0.00 39.78 37.36 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 1.71 -0.85 -0.04 -2.53 3.57 -0.51 -2.45 116.94 115.83 1x5c h PHE 17 Ca 0.20 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1x5c h PHE 17 Cb 1.33 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 1x5c h PHE 17 CO 0.79 -0.53 -0.11 0.93 -2.23 0.00 0.00 178.31 177.16 1x5c h GLU 18 N -1.09 0.05 -0.68 1.11 5.08 -1.88 0.59 114.58 117.76 1x5c h GLU 18 Ca -0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1x5c h GLU 18 Cb 0.70 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1x5c h GLU 18 CO 0.15 0.17 0.40 0.22 -1.00 0.00 0.00 179.01 178.96 1x5c h ASP 19 N 0.05 0.82 0.00 1.42 3.58 -1.82 -2.07 116.42 118.40 1x5c h ASP 19 Ca 0.01 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1x5c h ASP 19 Cb 0.24 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1x5c h ASP 19 CO 0.02 0.64 -1.22 0.52 -2.88 0.00 0.00 179.24 176.31 1x5c n VAL 20 N -4.39 1.49 -0.06 2.25 0.31 -0.83 -4.65 118.33 112.45 1x5c n VAL 20 Ca 0.07 0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 1x5c n VAL 20 Cb 0.08 -2.25 -0.07 0.00 -0.91 0.00 0.00 33.84 30.68 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 -0.97 -0.71 -0.98 3.52 0.00 0.05 -3.26 119.26 116.90 1x5c h ALA 21 Ca -0.15 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 1x5c h ALA 21 Cb 1.05 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 19.72 1x5c h ALA 21 CO -0.09 -0.89 1.35 -0.06 0.00 0.00 0.00 179.25 179.56 1x5c s PHE 22 N -4.98 2.35 -0.17 0.00 0.08 -0.78 -4.54 117.98 109.95 1x5c s PHE 22 Ca -0.11 -0.50 -0.00 0.00 0.12 0.00 0.00 56.93 56.44 1x5c s PHE 22 Cb 0.06 -4.52 0.04 0.00 -0.57 0.00 0.00 43.02 38.02 1x5c s PHE 22 CO 0.45 -1.86 -0.07 0.34 -0.10 0.00 0.00 175.22 173.98 1x5c s ASP 23 N 5.72 2.92 0.73 1.36 -1.08 -1.23 -4.70 116.67 120.39 1x5c s ASP 23 Ca 0.53 -0.69 -0.16 0.00 -0.52 0.00 0.00 52.55 51.71 1x5c s ASP 23 Cb -0.01 -0.98 0.00 0.00 -1.46 0.00 0.00 42.92 40.47 1x5c s ASP 23 CO -0.06 -0.17 0.89 -1.84 0.52 0.00 0.00 175.17 174.51 1x5c n GLU 24 N 4.84 0.44 -2.42 4.34 0.00 -1.26 -2.20 120.64 124.38 1x5c n GLU 24 Ca -0.13 0.20 -0.16 0.00 0.00 0.00 0.00 57.16 57.07 1x5c n GLU 24 Cb 0.48 -2.16 -0.01 0.00 0.00 0.00 0.00 31.44 29.75 1x5c n GLU 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1x5c n LYS 25 N -1.73 -1.97 -3.66 3.44 4.76 -1.25 -4.93 118.16 112.81 1x5c n LYS 25 Ca 0.12 0.80 -0.05 0.00 -2.87 0.00 0.00 58.31 56.31 1x5c n LYS 25 Cb 0.50 -5.43 -0.07 0.00 -1.84 0.00 0.00 35.03 28.19 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 -5.04 0.47 -0.72 1.97 2.47 -0.93 -4.83 119.74 113.13 1x5c s LYS 26 Ca 0.00 1.22 -0.20 0.00 -1.56 0.00 0.00 55.97 55.43 1x5c s LYS 26 Cb -0.00 0.53 0.10 0.00 -1.46 0.00 0.00 37.83 37.00 1x5c s LYS 26 CO 0.00 -0.21 0.92 -0.80 0.16 0.00 0.00 175.35 175.42 1x5c s ASN 27 N 2.57 6.32 -0.18 1.43 0.01 0.30 -3.96 114.94 121.43 1x5c s ASN 27 Ca -0.05 -1.46 -0.12 0.00 -0.71 0.00 0.00 52.86 50.51 1x5c s ASN 27 Cb -0.11 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1x5c s ASN 27 CO -0.16 -1.21 0.23 -0.69 -1.51 0.00 0.00 177.10 173.76 1x5c s VAL 28 N 3.15 5.34 -0.46 1.60 1.01 -0.65 -1.21 120.40 129.18 1x5c s VAL 28 Ca 0.22 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1x5c s VAL 28 Cb -0.16 -3.57 0.12 0.00 0.00 0.00 0.00 36.38 32.77 1x5c s VAL 28 CO 0.03 0.40 0.32 0.12 0.00 0.00 0.00 175.10 175.97 1x5c s PHE 29 N 0.46 3.46 0.51 5.22 5.36 -0.46 -0.27 117.98 132.27 1x5c s PHE 29 Ca 0.13 -2.00 -0.12 0.00 -0.96 0.00 0.00 56.93 53.99 1x5c s PHE 29 Cb -0.12 -3.44 -0.06 0.00 -0.34 0.00 0.00 43.02 39.06 1x5c s PHE 29 CO 0.02 -0.99 0.92 0.08 -1.46 0.00 0.00 175.22 173.78 1x5c s VAL 30 N 1.31 4.70 -0.25 3.12 1.01 -0.85 -1.99 120.40 127.46 1x5c s VAL 30 Ca 0.06 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 1x5c s VAL 30 Cb -0.25 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1x5c s VAL 30 CO -0.02 -0.81 0.08 -0.70 0.00 0.00 0.00 175.10 173.66 1x5c s GLU 31 N -4.45 0.46 -0.77 2.72 2.12 -0.71 -2.44 118.70 115.64 1x5c s GLU 31 Ca 0.54 -0.57 -0.26 0.00 0.36 0.00 0.00 54.97 55.04 1x5c s GLU 31 Cb -0.10 -1.79 0.04 0.00 0.26 0.00 0.00 34.13 32.54 1x5c s GLU 31 CO 0.40 -0.84 1.26 -0.06 -0.54 0.00 0.00 175.26 175.48 1x5c s PHE 32 N 1.90 2.37 0.45 5.30 0.08 0.41 -2.23 117.98 126.26 1x5c s PHE 32 Ca 0.05 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.94 1x5c s PHE 32 Cb -0.17 -4.59 -0.00 0.00 -0.57 0.00 0.00 43.02 37.69 1x5c s PHE 32 CO -0.20 -2.00 0.42 1.52 -0.10 0.00 0.00 175.22 174.86 1x5c s TYR 33 N 5.38 2.47 -0.03 0.36 -0.85 -1.10 -0.34 117.35 123.25 1x5c s TYR 33 Ca 0.35 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1x5c s TYR 33 Cb -0.08 -2.15 -0.00 0.00 0.38 0.00 0.00 41.96 40.10 1x5c s TYR 33 CO 0.11 -0.26 -0.14 0.00 -1.52 0.00 0.00 175.55 173.73 1x5c s ALA 34 N -2.52 1.27 -1.80 9.51 0.00 -1.26 -3.23 121.76 123.72 1x5c s ALA 34 Ca 0.48 -0.58 0.15 0.00 0.00 0.00 0.00 51.96 52.01 1x5c s ALA 34 Cb -0.04 -0.40 0.87 0.00 0.00 0.00 0.00 23.12 23.55 1x5c s ALA 34 CO 0.28 0.25 1.37 -0.35 0.00 0.00 0.00 175.76 177.30 1x5c n PRO 35 N 3.07 0.39 0.00 0.00 -0.04 -1.26 -2.86 135.00 134.30 1x5c n PRO 35 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 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 -1.10 0.00 -1.55 0.54 4.27 -1.26 -5.00 117.44 113.33 1x5c n TRP 36 Ca 0.10 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.26 1x5c n TRP 36 Cb 0.08 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 29.98 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 14.55 1.59 1.15 0.00 0.00 -1.95 0.16 103.07 118.57 1x5c h GLY 38 Ca -0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1x5c h GLY 38 CO 0.99 -0.14 0.41 0.45 0.00 0.00 0.00 176.54 178.24 1x5c h HIS 39 N 0.56 1.10 -0.16 5.60 3.86 -1.91 -2.85 115.15 121.35 1x5c h HIS 39 Ca 0.60 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.80 1x5c h HIS 39 Cb 1.22 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 1x5c h HIS 39 CO -0.00 0.78 0.02 0.00 0.86 0.00 0.00 177.93 179.59 1x5c h LYS 41 N 0.08 0.00 0.00 0.00 1.57 -1.31 1.40 116.57 118.32 1x5c h LYS 41 Ca 0.07 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.61 1x5c h LYS 41 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1x5c h LYS 41 CO -0.10 0.00 -1.54 1.96 -0.57 0.00 0.00 179.45 179.20 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.31 -3.33 115.11 114.70 1x5c h GLN 42 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1x5c h GLN 42 Cb 2.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.51 1x5c h GLN 42 CO -0.00 0.43 -0.15 1.25 -0.95 0.00 0.00 178.83 179.41 1x5c h LEU 43 N 0.00 0.00 -0.15 1.46 5.85 0.22 -3.32 115.31 119.37 1x5c h LEU 43 Ca -0.22 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1x5c h LEU 43 Cb 1.83 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.80 1x5c h LEU 43 CO 0.07 0.01 -0.27 0.00 -0.34 0.00 0.00 178.44 177.91 1x5c h ALA 44 N 2.29 -0.27 -0.04 1.25 0.00 -0.83 0.48 119.26 122.15 1x5c h ALA 44 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x5c h ALA 44 Cb 0.85 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1x5c h ALA 44 CO 0.00 -0.73 -0.04 -1.00 0.00 0.00 0.00 179.25 177.48 1x5c h PRO 45 N -0.33 0.09 -0.85 0.00 0.13 -1.79 -2.11 132.00 127.13 1x5c h PRO 45 Ca 0.10 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.25 1x5c h PRO 45 Cb 0.49 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.56 1x5c h PRO 45 CO -0.34 0.55 0.53 0.82 -0.23 0.00 0.00 178.00 179.34 1x5c h ILE 46 N -0.37 1.04 -0.24 -3.56 2.04 -1.62 0.16 117.51 114.96 1x5c h ILE 46 Ca 0.01 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 1x5c h ILE 46 Cb 0.54 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1x5c h ILE 46 CO 0.01 0.18 -0.35 -0.25 0.00 0.00 0.00 178.15 177.73 1x5c h TRP 47 N 0.96 0.60 -0.04 1.37 2.91 -0.06 -2.23 115.95 119.46 1x5c h TRP 47 Ca 0.37 -0.16 -0.15 0.00 1.13 0.00 0.00 58.89 60.08 1x5c h TRP 47 Cb 0.17 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 1x5c h TRP 47 CO -0.03 0.80 -0.67 0.22 -1.03 0.00 0.00 178.44 177.73 1x5c h ASP 48 N 0.44 0.20 1.01 2.65 1.82 -0.58 -1.35 116.42 120.61 1x5c h ASP 48 Ca 0.05 -0.13 -0.09 0.00 -0.39 0.00 0.00 57.03 56.47 1x5c h ASP 48 Cb 0.82 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 1x5c h ASP 48 CO 0.07 0.81 -0.44 0.11 -1.61 0.00 0.00 179.24 178.18 1x5c h LYS 49 N 0.12 0.00 0.10 0.28 1.57 -0.53 -3.07 116.57 115.04 1x5c h LYS 49 Ca -0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1x5c h LYS 49 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1x5c h LYS 49 CO 0.10 0.44 -1.61 1.25 -0.57 0.00 0.00 179.45 179.06 1x5c h LEU 50 N 0.00 0.34 -0.43 2.94 5.85 -1.28 -3.34 115.31 119.39 1x5c h LEU 50 Ca -0.00 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1x5c h LEU 50 Cb 1.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1x5c h LEU 50 CO 0.06 1.44 0.26 1.23 -0.34 0.00 0.00 178.44 181.09 1x5c h GLY 51 N 1.85 0.63 1.95 3.75 0.00 -1.25 -2.10 103.07 107.90 1x5c h GLY 51 Ca -0.27 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1x5c h GLY 51 CO 0.14 0.25 0.02 1.05 0.00 0.00 0.00 176.54 178.00 1x5c h GLU 52 N 0.57 0.00 -0.58 4.80 4.11 -1.43 0.04 114.58 122.08 1x5c h GLU 52 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.50 1x5c h GLU 52 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1x5c h GLU 52 CO -0.03 0.00 0.05 1.15 0.07 0.00 0.00 179.01 180.25 1x5c h THR 53 N 0.00 1.26 -0.55 -1.06 2.02 -1.49 -3.10 112.91 109.99 1x5c h THR 53 Ca 0.01 -1.07 -0.35 0.00 0.77 0.00 0.00 66.41 65.77 1x5c h THR 53 Cb 0.05 0.80 -0.22 0.00 -1.74 0.00 0.00 68.15 67.04 1x5c h THR 53 CO -0.00 0.39 -0.13 -1.22 0.37 0.00 0.00 175.52 174.93 1x5c n TYR 54 N -4.26 1.84 0.09 3.16 4.02 -0.71 -4.63 117.16 116.66 1x5c n TYR 54 Ca 0.03 -1.98 -0.08 0.00 -0.01 0.00 0.00 57.90 55.85 1x5c n TYR 54 Cb 0.31 -0.60 -0.04 0.00 -0.02 0.00 0.00 39.34 38.99 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 1.44 0.13 -0.16 -0.72 2.10 -0.94 -3.28 116.57 115.14 1x5c h LYS 55 Ca 0.32 -0.16 -0.05 0.00 -2.00 0.00 0.00 60.65 58.76 1x5c h LYS 55 Cb 1.52 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.88 1x5c h LYS 55 CO 0.67 0.97 -0.12 -3.47 -2.00 0.00 0.00 179.45 175.50 1x5c n ASP 56 N -3.57 2.65 -3.05 7.07 2.03 -1.26 -5.02 116.55 115.39 1x5c n ASP 56 Ca -0.03 -3.42 -0.15 0.00 0.52 0.00 0.00 54.79 51.72 1x5c n ASP 56 Cb 0.85 -0.53 0.13 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.06 -3.23 -0.11 -0.67 -0.00 -1.24 -5.03 115.22 103.88 1x5c n HIS 57 Ca 0.23 -0.46 -0.22 0.00 0.46 0.00 0.00 57.72 57.73 1x5c n HIS 57 Cb 0.82 -0.58 -0.08 0.00 -0.12 0.00 0.00 29.99 30.03 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 -3.41 0.48 -0.01 1.57 0.28 -1.26 -4.83 120.64 113.46 1x5c n GLU 58 Ca 0.07 0.19 -0.01 0.00 -0.16 0.00 0.00 57.16 57.25 1x5c n GLU 58 Cb 0.29 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 31.83 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 -3.82 4.35 -4.61 -1.84 0.23 -1.26 -4.95 115.26 103.36 1x5c n ASN 59 Ca -0.42 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.20 1x5c n ASN 59 Cb 0.82 0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 39.10 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 -2.07 4.45 -0.21 1.53 1.01 -1.26 0.11 121.20 124.76 1x5c s ILE 60 Ca -0.01 1.34 -0.00 0.00 0.00 0.00 0.00 60.65 61.97 1x5c s ILE 60 Cb 0.01 -4.44 0.06 0.00 0.01 0.00 0.00 42.46 38.09 1x5c s ILE 60 CO 0.11 -0.67 -0.04 -0.69 0.00 0.00 0.00 174.94 173.65 1x5c s VAL 61 N 3.82 1.22 0.24 2.92 1.01 -0.35 -4.30 120.40 124.97 1x5c s VAL 61 Ca 0.43 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1x5c s VAL 61 Cb -0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1x5c s VAL 61 CO 0.22 -0.06 0.91 -0.63 0.00 0.00 0.00 175.10 175.53 1x5c s ILE 62 N 1.55 4.17 0.00 2.22 -1.09 -1.26 -1.35 121.20 125.44 1x5c s ILE 62 Ca -0.03 1.94 -0.17 0.00 -2.23 0.00 0.00 60.65 60.16 1x5c s ILE 62 Cb -0.18 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1x5c s ILE 62 CO -0.07 0.41 0.36 0.00 -1.23 0.00 0.00 174.94 174.41 1x5c s ALA 63 N -1.28 -0.89 -0.01 9.38 0.00 -0.84 -2.30 121.76 125.82 1x5c s ALA 63 Ca 0.42 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1x5c s ALA 63 Cb -0.24 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1x5c s ALA 63 CO 0.29 -0.33 -0.19 -1.59 0.00 0.00 0.00 175.76 173.94 1x5c s LYS 64 N -1.73 1.53 0.00 0.00 -2.85 0.92 -1.74 119.74 115.88 1x5c s LYS 64 Ca -0.10 -0.69 0.01 0.00 -1.00 0.00 0.00 55.97 54.19 1x5c s LYS 64 Cb -0.03 -1.49 -0.01 0.00 -2.06 0.00 0.00 37.83 34.25 1x5c s LYS 64 CO 0.02 0.41 -0.04 1.41 0.10 0.00 0.00 175.35 177.25 1x5c s MET 65 N -0.49 0.34 -0.60 1.78 1.75 -0.95 -0.89 119.30 120.24 1x5c s MET 65 Ca 0.07 -0.23 -0.21 0.00 -1.25 0.00 0.00 55.69 54.07 1x5c s MET 65 Cb -0.07 -0.28 0.07 0.00 2.84 0.00 0.00 34.83 37.39 1x5c s MET 65 CO -0.01 0.07 0.85 0.34 -0.65 0.00 0.00 175.02 175.62 1x5c s ASP 66 N -0.33 6.21 0.54 1.11 2.15 -1.26 -2.69 116.67 122.39 1x5c s ASP 66 Ca -0.01 -1.00 0.29 0.00 0.43 0.00 0.00 52.55 52.27 1x5c s ASP 66 Cb -0.03 -2.37 1.56 0.00 -0.30 0.00 0.00 42.92 41.77 1x5c s ASP 66 CO -0.00 -1.25 2.10 -1.28 -0.17 0.00 0.00 175.17 174.57 1x5c h SER 67 N 9.35 0.00 1.21 -0.34 0.87 -1.71 0.89 113.55 123.82 1x5c h SER 67 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1x5c h SER 67 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x5c h SER 67 CO 1.12 0.09 -0.17 0.35 -0.53 0.00 0.00 176.83 177.68 1x5c n THR 68 N -3.57 0.42 0.07 2.23 -2.24 -1.26 -3.72 114.28 106.21 1x5c n THR 68 Ca -0.02 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1x5c n THR 68 Cb 0.22 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1x5c n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5c n ALA 69 N -1.74 2.31 -3.57 6.98 0.00 -0.40 -5.00 120.51 119.09 1x5c n ALA 69 Ca 0.05 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1x5c n ALA 69 Cb 0.41 -0.17 -0.16 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.22 0.70 -0.05 0.00 0.01 0.29 -4.87 114.94 108.82 1x5c s ASN 70 Ca -0.01 -0.09 0.06 0.00 -0.71 0.00 0.00 52.86 52.11 1x5c s ASN 70 Cb 0.03 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 1x5c s ASN 70 CO 0.20 -0.06 -0.23 -0.70 -1.51 0.00 0.00 177.10 174.81 1x5c s GLU 71 N 0.83 2.22 -0.04 -0.60 2.12 -1.26 -4.16 118.70 117.82 1x5c s GLU 71 Ca -0.10 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.38 1x5c s GLU 71 Cb -0.13 -1.94 0.01 0.00 0.26 0.00 0.00 34.13 32.33 1x5c s GLU 71 CO -0.00 0.36 0.10 0.14 -0.54 0.00 0.00 175.26 175.32 1x5c s VAL 72 N -0.18 0.00 0.29 3.70 -7.23 -1.26 -4.94 120.40 110.78 1x5c s VAL 72 Ca -0.01 -0.01 0.10 0.00 -1.81 0.00 0.00 61.98 60.24 1x5c s VAL 72 Cb -0.12 -0.16 -0.00 0.00 0.56 0.00 0.00 36.38 36.66 1x5c s VAL 72 CO 0.02 -0.01 1.65 1.05 -0.31 0.00 0.00 175.10 177.51 1x5c h GLU 73 N 5.96 0.03 0.00 4.82 4.11 -2.02 -2.83 114.58 124.65 1x5c h GLU 73 Ca -0.25 -0.02 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 0.44 0.59 0.06 0.00 0.07 0.00 0.00 179.01 180.16 1x5c h ALA 74 N 1.41 1.05 -1.98 1.06 0.00 -2.00 -3.37 119.26 115.42 1x5c h ALA 74 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1x5c h ALA 74 Cb 1.00 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.51 1x5c h ALA 74 CO 0.08 -0.05 -0.45 0.08 0.00 0.00 0.00 179.25 178.91 1x5c s VAL 75 N -3.93 -0.63 -0.36 0.00 1.01 -1.07 -5.00 120.40 110.43 1x5c s VAL 75 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1x5c s VAL 75 Cb 0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1x5c s VAL 75 CO 0.32 -0.07 0.30 -0.54 0.00 0.00 0.00 175.10 175.10 1x5c s LYS 76 N 2.57 3.42 -0.24 2.72 -0.14 -1.26 -4.37 119.74 122.45 1x5c s LYS 76 Ca 0.10 -0.63 -0.06 0.00 -1.36 0.00 0.00 55.97 54.02 1x5c s LYS 76 Cb -0.15 -3.84 -0.02 0.00 -1.68 0.00 0.00 37.83 32.14 1x5c s LYS 76 CO -0.15 -0.54 0.03 0.08 -0.76 0.00 0.00 175.35 174.01 1x5c s VAL 77 N 1.84 3.95 -0.23 3.17 1.01 -1.26 -4.96 120.40 123.92 1x5c s VAL 77 Ca 0.08 -0.32 0.12 0.00 0.00 0.00 0.00 61.98 61.86 1x5c s VAL 77 Cb -0.17 -2.84 0.46 0.00 0.00 0.00 0.00 36.38 33.83 1x5c s VAL 77 CO 0.11 0.35 1.36 1.41 0.00 0.00 0.00 175.10 178.34 1x5c n HIS 78 N 4.87 0.69 -3.62 5.22 -0.00 -1.26 -5.02 115.22 116.11 1x5c n HIS 78 Ca -0.17 -1.35 -0.03 0.00 -0.00 0.00 0.00 57.72 56.18 1x5c n HIS 78 Cb 0.51 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.99 30.13 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1x5c s SER 79 N -2.60 -0.16 -0.01 0.41 0.01 -1.26 -5.19 113.70 104.90 1x5c s SER 79 Ca 0.41 -0.13 -0.28 0.00 1.31 0.00 0.00 55.95 57.26 1x5c s SER 79 Cb 0.37 0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.93 1x5c s SER 79 CO 0.01 -0.46 0.63 -0.36 0.41 0.00 0.00 173.24 173.46 1x5c s PHE 80 N -2.73 -0.59 0.43 2.43 0.08 -1.26 -4.07 117.98 112.27 1x5c s PHE 80 Ca 0.11 0.91 -0.24 0.00 0.12 0.00 0.00 56.93 57.83 1x5c s PHE 80 Cb 0.01 0.40 -0.08 0.00 -0.57 0.00 0.00 43.02 42.78 1x5c s PHE 80 CO -0.04 -0.63 1.18 -1.25 -0.10 0.00 0.00 175.22 174.38 1x5c s PRO 81 N -1.64 3.90 -0.07 0.24 0.04 -1.26 -4.90 135.00 131.31 1x5c s PRO 81 Ca -0.09 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1x5c s PRO 81 Cb -0.01 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 1x5c s PRO 81 CO 0.06 -0.45 -0.20 0.99 0.04 0.00 0.00 177.00 177.44 1x5c s THR 82 N -1.46 1.71 -0.02 1.26 2.01 0.54 -5.01 115.64 114.66 1x5c s THR 82 Ca 0.60 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1x5c s THR 82 Cb -0.30 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1x5c s THR 82 CO 0.38 0.48 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.79 1x5c s LEU 83 N 0.17 2.04 -0.04 4.42 1.43 -1.26 0.16 118.68 125.59 1x5c s LEU 83 Ca -0.09 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1x5c s LEU 83 Cb -0.14 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1x5c s LEU 83 CO 0.05 0.28 0.07 -0.54 0.23 0.00 0.00 176.35 176.44 1x5c s LYS 84 N -0.48 -0.02 -0.12 1.70 1.02 -1.02 -3.05 119.74 117.76 1x5c s LYS 84 Ca 0.07 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.20 1x5c s LYS 84 Cb -0.10 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 1x5c s LYS 84 CO -0.00 -0.22 0.44 0.12 -0.92 0.00 0.00 175.35 174.76 1x5c s PHE 85 N 1.50 3.51 -0.40 3.18 5.36 0.01 -2.00 117.98 129.13 1x5c s PHE 85 Ca -0.04 0.83 -0.08 0.00 -0.96 0.00 0.00 56.93 56.68 1x5c s PHE 85 Cb -0.12 -2.50 0.08 0.00 -0.34 0.00 0.00 43.02 40.13 1x5c s PHE 85 CO -0.04 0.19 0.23 -0.06 -1.46 0.00 0.00 175.22 174.08 1x5c s PHE 86 N 0.55 3.35 0.94 10.12 0.08 0.62 -0.46 117.98 133.18 1x5c s PHE 86 Ca 0.24 -1.61 -0.12 0.00 0.12 0.00 0.00 56.93 55.56 1x5c s PHE 86 Cb -0.15 -2.88 0.15 0.00 -0.57 0.00 0.00 43.02 39.58 1x5c s PHE 86 CO 0.09 -0.84 1.09 -1.25 -0.10 0.00 0.00 175.22 174.21 1x5c s PRO 87 N 1.39 0.94 -0.65 0.24 0.04 -1.26 -1.64 135.00 134.05 1x5c s PRO 87 Ca 0.03 0.71 -0.07 0.00 0.04 0.00 0.00 61.00 61.71 1x5c s PRO 87 Cb -0.22 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 1x5c s PRO 87 CO 0.01 -2.43 2.94 0.00 0.04 0.00 0.00 177.00 177.56 1x5c n ALA 88 N -4.00 6.07 -2.63 8.56 0.00 -1.25 -4.80 120.51 122.46 1x5c n ALA 88 Ca 0.06 -2.24 -0.33 0.00 0.00 0.00 0.00 53.44 50.93 1x5c n ALA 88 Cb 0.56 -2.75 -0.10 0.00 0.00 0.00 0.00 19.45 17.16 1x5c n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5c s SER 89 N 2.35 4.86 -0.11 0.00 0.15 -1.26 -3.90 113.70 115.79 1x5c s SER 89 Ca 0.58 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 57.24 1x5c s SER 89 Cb 0.22 -1.24 0.19 0.00 -1.71 0.00 0.00 66.02 63.47 1x5c s SER 89 CO -0.02 0.33 1.17 0.00 1.20 0.00 0.00 173.24 175.92 1x5c n ALA 90 N 1.90 3.25 -2.41 5.45 0.00 -1.26 -3.82 120.51 123.62 1x5c n ALA 90 Ca -0.17 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.46 1x5c n ALA 90 Cb 0.53 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 0.08 2.78 -3.76 0.00 9.92 -1.26 -4.98 116.55 119.32 1x5c n ASP 91 Ca 0.15 -2.80 -0.25 0.00 -0.53 0.00 0.00 54.79 51.35 1x5c n ASP 91 Cb 0.76 -0.42 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 1x5c n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x5c n ARG 92 N -0.58 -0.90 -2.30 -1.24 1.74 -1.25 -4.82 116.66 107.31 1x5c n ARG 92 Ca 0.22 0.08 -0.39 0.00 -0.77 0.00 0.00 57.85 56.99 1x5c n ARG 92 Cb 0.89 -2.86 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x5c s THR 93 N -3.50 3.16 -0.03 0.55 2.01 -1.26 -5.05 115.64 111.53 1x5c s THR 93 Ca 0.22 1.02 0.03 0.00 0.31 0.00 0.00 61.69 63.26 1x5c s THR 93 Cb -0.13 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 1x5c s THR 93 CO 0.72 0.13 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.98 1x5c s VAL 94 N -1.36 0.90 -0.00 3.82 1.01 -1.26 -4.14 120.40 119.36 1x5c s VAL 94 Ca 0.55 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1x5c s VAL 94 Cb -0.31 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1x5c s VAL 94 CO 0.40 0.27 -0.21 -0.63 0.00 0.00 0.00 175.10 174.94 1x5c s ILE 95 N 0.08 2.55 -0.01 2.22 1.01 0.39 -4.96 121.20 122.48 1x5c s ILE 95 Ca -0.02 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 1x5c s ILE 95 Cb -0.08 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1x5c s ILE 95 CO 0.01 0.49 0.64 -1.81 0.00 0.00 0.00 174.94 174.26 1x5c s ASP 96 N -0.94 7.01 -0.46 3.58 1.11 -1.26 -0.81 116.67 124.89 1x5c s ASP 96 Ca 0.12 1.21 -0.12 0.00 0.18 0.00 0.00 52.55 53.93 1x5c s ASP 96 Cb -0.10 -2.39 0.09 0.00 1.07 0.00 0.00 42.92 41.59 1x5c s ASP 96 CO 0.01 0.05 0.35 -0.47 1.18 0.00 0.00 175.17 176.30 1x5c s TYR 97 N 0.01 3.30 -0.66 4.23 6.14 -1.17 -4.90 117.35 124.30 1x5c s TYR 97 Ca 0.33 -1.32 0.06 0.00 0.64 0.00 0.00 57.07 56.77 1x5c s TYR 97 Cb -0.18 -3.22 0.22 0.00 0.42 0.00 0.00 41.96 39.19 1x5c s TYR 97 CO 0.18 -0.87 0.66 0.09 0.64 0.00 0.00 175.55 176.25 1x5c n ASN 98 N 5.07 3.46 0.00 4.32 3.02 -1.26 -4.74 115.26 125.12 1x5c n ASN 98 Ca -0.11 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 1x5c n ASN 98 Cb 0.42 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 1.23 5.48 0.23 7.41 0.00 -1.26 -5.02 105.19 113.27 1x5c n GLY 99 Ca 0.26 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 0.11 -4.52 1.61 4.11 -1.96 -3.47 114.58 110.46 1x5c h GLU 100 Ca 0.00 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.17 1x5c h GLU 100 Cb 0.00 -0.02 0.12 0.00 0.50 0.00 0.00 28.75 29.35 1x5c h GLU 100 CO 0.00 0.26 -0.53 -2.13 0.07 0.00 0.00 179.01 176.69 1x5c n ARG 101 N -4.31 -4.80 -4.46 1.06 0.63 -1.26 -5.04 116.66 98.49 1x5c n ARG 101 Ca -0.02 0.59 -0.22 0.00 -0.92 0.00 0.00 57.85 57.28 1x5c n ARG 101 Cb 0.25 -4.86 -0.10 0.00 0.45 0.00 0.00 32.46 28.20 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5c s THR 102 N -3.25 1.60 0.13 5.15 -4.23 -1.26 -4.98 115.64 108.80 1x5c s THR 102 Ca 0.07 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 1x5c s THR 102 Cb -0.03 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1x5c s THR 102 CO 0.51 -0.19 1.65 0.25 -0.54 0.00 0.00 174.62 176.30 1x5c h LEU 103 N 2.17 -0.64 -0.50 4.79 5.85 -1.97 0.23 115.31 125.24 1x5c h LEU 103 Ca -0.41 0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.26 1x5c h LEU 103 Cb 1.24 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1x5c h LEU 103 CO 0.69 -0.26 -0.56 0.44 -0.34 0.00 0.00 178.44 178.41 1x5c h ASP 104 N -0.27 0.63 -0.64 1.25 5.19 -1.97 -3.15 116.42 117.45 1x5c h ASP 104 Ca 0.09 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 1x5c h ASP 104 Cb 0.41 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1x5c h ASP 104 CO -0.27 1.06 0.30 1.23 -3.12 0.00 0.00 179.24 178.43 1x5c h GLY 105 N 1.05 1.03 0.98 2.75 0.00 -1.81 -2.85 103.07 104.22 1x5c h GLY 105 Ca 0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1x5c h GLY 105 CO 0.11 0.48 0.18 0.74 0.00 0.00 0.00 176.54 178.05 1x5c h PHE 106 N 0.95 0.39 -0.77 5.60 0.04 -0.52 -2.66 116.94 119.97 1x5c h PHE 106 Ca 0.23 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.13 1x5c h PHE 106 Cb 0.13 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.06 1x5c h PHE 106 CO 0.01 0.28 0.35 0.87 -0.60 0.00 0.00 178.31 179.22 1x5c h LYS 107 N 0.38 0.51 -0.03 1.51 1.57 -1.52 -0.80 116.57 118.20 1x5c h LYS 107 Ca 0.11 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1x5c h LYS 107 Cb 0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1x5c h LYS 107 CO -0.02 0.33 -0.15 0.87 -0.57 0.00 0.00 179.45 179.91 1x5c h LYS 108 N 0.52 -0.23 -0.10 3.15 1.57 -1.38 0.42 116.57 120.52 1x5c h LYS 108 Ca 0.42 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1x5c h LYS 108 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1x5c h LYS 108 CO -0.37 -0.16 -0.02 0.35 -0.57 0.00 0.00 179.45 178.69 1x5c h PHE 109 N -0.24 -0.04 0.57 -1.35 3.57 -1.15 -2.58 116.94 115.71 1x5c h PHE 109 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1x5c h PHE 109 Cb 0.32 0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.10 1x5c h PHE 109 CO -0.22 -0.04 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.48 1x5c h LEU 110 N 0.00 -0.64 -0.92 0.59 3.38 -0.88 -2.43 115.31 114.40 1x5c h LEU 110 Ca 0.05 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.40 1x5c h LEU 110 Cb 0.07 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.84 1x5c h LEU 110 CO -0.10 -0.45 0.53 -0.62 0.09 0.00 0.00 178.44 177.90 1x5c n GLU 111 N -4.12 -0.04 -0.09 1.13 1.02 0.14 0.22 120.64 118.90 1x5c n GLU 111 Ca -0.09 1.11 -0.12 0.00 -0.02 0.00 0.00 57.16 58.03 1x5c n GLU 111 Cb 0.30 -2.05 -0.05 0.00 -0.02 0.00 0.00 31.44 29.62 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 0.56 0.00 1.62 0.02 -1.21 -3.48 113.55 111.06 1x5c h SER 112 Ca 0.71 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1x5c h SER 112 Cb 2.01 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.40 1x5c h SER 112 CO -0.56 0.86 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 1x5c n GLY 113 N 0.02 1.44 2.99 -3.77 0.00 0.59 -4.72 105.19 101.74 1x5c n GLY 113 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.15 -0.21 3.55 -0.02 0.00 -1.08 -4.93 105.19 102.35 1x5c n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x5c n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5c s GLN 115 N -5.29 3.21 -1.05 1.61 -1.52 -1.26 -4.95 119.66 110.41 1x5c s GLN 115 Ca 0.10 -0.22 -0.22 0.00 -1.95 0.00 0.00 55.36 53.06 1x5c s GLN 115 Cb -0.05 -4.17 0.03 0.00 -0.22 0.00 0.00 33.01 28.61 1x5c s GLN 115 CO 0.58 -2.10 1.58 0.45 -0.25 0.00 0.00 175.29 175.55 1x5c s SER 116 N 3.68 6.31 0.81 5.90 0.15 -1.26 -4.89 113.70 124.40 1x5c s SER 116 Ca 0.35 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1x5c s SER 116 Cb -0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1x5c s SER 116 CO 0.16 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.52 1x5c n GLY 117 N 6.63 0.60 3.66 9.45 0.00 -1.26 -4.82 105.19 119.45 1x5c n GLY 117 Ca 0.37 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.09 0.44 1.61 0.04 -1.26 -5.03 135.00 130.89 1x5c s PRO 118 Ca 0.00 0.41 -0.15 0.00 0.04 0.00 0.00 61.00 61.30 1x5c s PRO 118 Cb 0.00 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.75 1x5c s PRO 118 CO 0.00 -2.93 0.88 -1.12 0.04 0.00 0.00 177.00 173.86 1x5c s SER 119 N -3.51 6.66 0.19 6.66 0.01 -1.26 -4.99 113.70 117.46 1x5c s SER 119 Ca 0.66 1.40 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1x5c s SER 119 Cb -0.18 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1x5c s SER 119 CO 0.58 -0.44 0.00 -1.20 0.41 0.00 0.00 173.24 172.58 1x5c n SER 120 N -1.18 0.14 0.00 2.44 7.64 -1.26 -5.24 113.62 116.15 1x5c n SER 120 Ca 0.05 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1x5c n SER 120 Cb 0.54 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64