#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 0.00 -3.84 1.61 0.02 -1.99 -3.42 113.55 105.93 1x5c h SER 2 Ca 0.00 -0.27 -0.56 0.00 -0.84 0.00 0.00 61.79 60.12 1x5c h SER 2 Cb 0.00 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.69 1x5c h SER 2 CO 0.00 0.80 0.46 -1.20 -1.14 0.00 0.00 176.83 175.75 1x5c n SER 3 N -4.66 2.15 0.00 3.07 7.64 -1.26 -4.56 113.62 116.00 1x5c n SER 3 Ca -0.08 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1x5c n SER 3 Cb 0.26 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1x5c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5c n GLY 4 N 0.91 3.36 3.64 0.23 0.00 -1.26 -4.71 105.19 107.35 1x5c n GLY 4 Ca 0.11 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.31 1x5c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5c s SER 5 N -4.00 -0.37 0.10 1.61 1.04 -1.26 -5.12 113.70 105.70 1x5c s SER 5 Ca 0.00 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 1x5c s SER 5 Cb 0.00 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.84 1x5c s SER 5 CO 0.00 -0.13 0.26 -0.94 0.98 0.00 0.00 173.24 173.40 1x5c s SER 6 N 0.12 0.01 0.52 7.02 1.04 -1.26 -5.02 113.70 116.13 1x5c s SER 6 Ca 0.04 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1x5c s SER 6 Cb -0.05 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x5c s SER 6 CO -0.08 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1x5c n GLY 7 N -0.11 -4.31 0.06 7.32 0.00 -1.26 -4.80 105.19 102.09 1x5c n GLY 7 Ca -0.15 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.95 0.04 -5.99 1.61 0.13 -1.89 -3.45 132.00 123.39 1x5c h PRO 8 Ca 0.00 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 1x5c h PRO 8 Cb 0.39 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.25 1x5c h PRO 8 CO 0.00 0.51 -0.82 0.54 -0.23 0.00 0.00 178.00 178.01 1x5c s VAL 9 N -4.26 2.62 0.50 1.56 0.11 -1.26 -3.14 120.40 116.52 1x5c s VAL 9 Ca -0.16 -0.86 -0.21 0.00 -2.93 0.00 0.00 61.98 57.82 1x5c s VAL 9 Cb 0.02 -2.01 -0.07 0.00 -1.53 0.00 0.00 36.38 32.78 1x5c s VAL 9 CO 0.68 0.57 1.11 -0.75 -3.33 0.00 0.00 175.10 173.38 1x5c s LYS 10 N -0.26 3.62 -0.32 1.54 2.36 -0.92 -4.84 119.74 120.92 1x5c s LYS 10 Ca 0.01 1.58 -0.04 0.00 -2.55 0.00 0.00 55.97 54.97 1x5c s LYS 10 Cb -0.13 -2.17 0.05 0.00 -1.05 0.00 0.00 37.83 34.53 1x5c s LYS 10 CO 0.03 -0.62 0.05 0.08 1.55 0.00 0.00 175.35 176.44 1x5c s VAL 11 N -1.76 3.35 0.27 4.02 1.01 -1.26 0.01 120.40 126.05 1x5c s VAL 11 Ca 0.68 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1x5c s VAL 11 Cb -0.23 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 1x5c s VAL 11 CO 0.27 -0.16 0.61 -0.76 0.00 0.00 0.00 175.10 175.05 1x5c s LEU 12 N 1.31 4.10 0.25 3.92 1.43 -0.03 -4.95 118.68 124.71 1x5c s LEU 12 Ca -0.03 0.98 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 1x5c s LEU 12 Cb -0.20 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 1x5c s LEU 12 CO 0.01 -0.15 -0.07 0.68 0.23 0.00 0.00 176.35 177.05 1x5c s VAL 13 N -1.95 1.53 -2.00 -1.59 -7.23 -1.26 -4.52 120.40 103.38 1x5c s VAL 13 Ca 0.48 -2.12 0.13 0.00 -1.81 0.00 0.00 61.98 58.66 1x5c s VAL 13 Cb -0.11 -2.33 0.37 0.00 0.56 0.00 0.00 36.38 34.87 1x5c s VAL 13 CO 0.23 -0.38 1.20 0.61 -0.31 0.00 0.00 175.10 176.45 1x5c n GLY 14 N -0.50 -0.46 0.13 2.32 0.00 -1.26 0.11 105.19 105.53 1x5c n GLY 14 Ca -0.06 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.94 0.65 -0.69 1.61 4.81 -1.26 -4.61 118.16 117.74 1x5c n LYS 15 Ca 0.10 0.26 0.05 0.00 -0.87 0.00 0.00 58.31 57.85 1x5c n LYS 15 Cb 0.04 -1.59 0.11 0.00 0.02 0.00 0.00 35.03 33.61 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 -3.69 1.39 0.07 3.14 6.94 -1.09 -4.89 115.26 117.13 1x5c n ASN 16 Ca -0.43 -2.91 -0.05 0.00 -0.02 0.00 0.00 54.58 51.16 1x5c n ASN 16 Cb 0.94 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 1x5c n ASN 16 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x5c h PHE 17 N 0.60 -0.45 -0.04 -2.53 3.57 0.59 -1.39 116.94 117.28 1x5c h PHE 17 Ca -0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1x5c h PHE 17 Cb 1.29 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 1x5c h PHE 17 CO 0.32 -0.20 0.03 0.93 -2.23 0.00 0.00 178.31 177.17 1x5c h GLU 18 N -0.28 0.00 -0.60 1.11 3.07 -1.90 0.45 114.58 116.43 1x5c h GLU 18 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1x5c h GLU 18 Cb 0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1x5c h GLU 18 CO -0.05 0.00 0.36 -0.44 -1.40 0.00 0.00 179.01 177.48 1x5c h ASP 19 N 0.00 0.71 0.00 1.42 3.32 -1.67 -2.02 116.42 118.17 1x5c h ASP 19 Ca 0.02 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1x5c h ASP 19 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1x5c h ASP 19 CO -0.00 0.54 -1.43 0.52 -1.72 0.00 0.00 179.24 177.15 1x5c n VAL 20 N -4.42 1.51 0.01 -1.35 0.31 -0.52 -4.69 118.33 109.18 1x5c n VAL 20 Ca 0.06 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1x5c n VAL 20 Cb 0.07 -2.22 -0.07 0.00 -0.91 0.00 0.00 33.84 30.71 1x5c n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5c h ALA 21 N -1.00 -0.78 -1.16 3.52 0.00 -0.26 -3.31 119.26 116.26 1x5c h ALA 21 Ca -0.20 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 1x5c h ALA 21 Cb 1.17 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1x5c h ALA 21 CO -0.12 -0.92 1.23 -0.06 0.00 0.00 0.00 179.25 179.38 1x5c s PHE 22 N -4.95 2.24 -0.18 0.00 0.08 -0.76 -4.57 117.98 109.84 1x5c s PHE 22 Ca -0.11 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.73 1x5c s PHE 22 Cb 0.05 -4.50 0.06 0.00 -0.57 0.00 0.00 43.02 38.06 1x5c s PHE 22 CO 0.44 -1.99 0.05 0.34 -0.10 0.00 0.00 175.22 173.95 1x5c s ASP 23 N 5.47 2.69 0.55 1.36 -1.08 -1.25 -4.65 116.67 119.76 1x5c s ASP 23 Ca 0.49 -0.72 -0.19 0.00 -0.52 0.00 0.00 52.55 51.60 1x5c s ASP 23 Cb -0.05 -0.50 -0.07 0.00 -1.46 0.00 0.00 42.92 40.84 1x5c s ASP 23 CO 0.03 -0.31 0.82 -1.84 0.52 0.00 0.00 175.17 174.39 1x5c n GLU 24 N 5.11 0.85 -2.52 4.34 0.28 -1.26 -2.07 120.64 125.37 1x5c n GLU 24 Ca -0.08 0.32 -0.19 0.00 -0.16 0.00 0.00 57.16 57.05 1x5c n GLU 24 Cb 0.48 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1x5c n GLU 24 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1x5c n LYS 25 N -0.45 -2.30 -3.65 3.44 4.76 -1.26 -4.90 118.16 113.79 1x5c n LYS 25 Ca 0.12 0.89 -0.05 0.00 -2.87 0.00 0.00 58.31 56.40 1x5c n LYS 25 Cb 0.46 -5.47 -0.07 0.00 -1.84 0.00 0.00 35.03 28.11 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 -5.12 0.50 -0.92 1.97 2.47 -0.88 -4.90 119.74 112.87 1x5c s LYS 26 Ca 0.07 1.25 -0.18 0.00 -1.56 0.00 0.00 55.97 55.55 1x5c s LYS 26 Cb -0.03 0.55 0.14 0.00 -1.46 0.00 0.00 37.83 37.02 1x5c s LYS 26 CO 0.09 -0.21 1.10 -0.80 0.16 0.00 0.00 175.35 175.69 1x5c s ASN 27 N 2.55 6.63 -0.14 1.43 0.01 0.14 -3.69 114.94 121.87 1x5c s ASN 27 Ca -0.05 -2.08 -0.17 0.00 -0.71 0.00 0.00 52.86 49.84 1x5c s ASN 27 Cb -0.11 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1x5c s ASN 27 CO -0.17 -1.03 0.43 -0.69 -1.51 0.00 0.00 177.10 174.13 1x5c s VAL 28 N 2.52 5.21 -0.45 1.60 1.01 -0.75 -1.49 120.40 128.05 1x5c s VAL 28 Ca 0.32 0.85 -0.06 0.00 0.00 0.00 0.00 61.98 63.09 1x5c s VAL 28 Cb -0.05 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1x5c s VAL 28 CO -0.09 0.33 0.28 0.12 0.00 0.00 0.00 175.10 175.74 1x5c s PHE 29 N 0.67 3.51 0.56 5.22 5.36 -0.37 -0.44 117.98 132.49 1x5c s PHE 29 Ca 0.23 -2.19 -0.09 0.00 -0.96 0.00 0.00 56.93 53.92 1x5c s PHE 29 Cb -0.15 -3.35 -0.04 0.00 -0.34 0.00 0.00 43.02 39.14 1x5c s PHE 29 CO 0.09 -0.98 0.93 0.08 -1.46 0.00 0.00 175.22 173.87 1x5c s VAL 30 N 1.17 4.79 -0.23 3.12 1.01 -0.92 -1.89 120.40 127.45 1x5c s VAL 30 Ca 0.08 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1x5c s VAL 30 Cb -0.24 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1x5c s VAL 30 CO -0.03 -1.01 0.10 -0.70 0.00 0.00 0.00 175.10 173.45 1x5c s GLU 31 N -4.97 0.29 -0.75 2.72 2.12 -0.79 -2.57 118.70 114.75 1x5c s GLU 31 Ca 0.52 -0.42 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 1x5c s GLU 31 Cb -0.11 -1.65 0.04 0.00 0.26 0.00 0.00 34.13 32.67 1x5c s GLU 31 CO 0.50 -0.83 1.21 -0.06 -0.54 0.00 0.00 175.26 175.54 1x5c s PHE 32 N 2.02 2.41 0.51 5.30 0.08 0.31 -2.23 117.98 126.38 1x5c s PHE 32 Ca 0.05 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.91 1x5c s PHE 32 Cb -0.16 -4.55 0.03 0.00 -0.57 0.00 0.00 43.02 37.77 1x5c s PHE 32 CO -0.21 -1.95 0.45 1.52 -0.10 0.00 0.00 175.22 174.93 1x5c s TYR 33 N 5.21 1.94 -0.04 0.36 -0.85 -1.12 -0.29 117.35 122.56 1x5c s TYR 33 Ca 0.33 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 56.20 1x5c s TYR 33 Cb -0.09 -2.04 0.00 0.00 0.38 0.00 0.00 41.96 40.21 1x5c s TYR 33 CO 0.11 -0.45 -0.14 0.00 -1.52 0.00 0.00 175.55 173.55 1x5c s ALA 34 N -2.66 1.32 -1.21 9.51 0.00 -1.26 -3.22 121.76 124.23 1x5c s ALA 34 Ca 0.43 -0.55 0.14 0.00 0.00 0.00 0.00 51.96 51.98 1x5c s ALA 34 Cb -0.03 -0.48 0.67 0.00 0.00 0.00 0.00 23.12 23.29 1x5c s ALA 34 CO 0.26 0.21 1.43 -0.35 0.00 0.00 0.00 175.76 177.31 1x5c n PRO 35 N 3.33 0.10 -0.01 0.00 -0.04 -1.26 -2.83 135.00 134.30 1x5c n PRO 35 Ca -0.19 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1x5c n PRO 35 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.39 0.00 -1.94 0.54 4.27 -1.26 -4.99 117.44 112.67 1x5c n TRP 36 Ca 0.05 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 1x5c n TRP 36 Cb 0.14 -0.08 -0.03 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 11.86 0.77 -0.12 0.00 0.00 -1.94 -0.87 103.07 112.77 1x5c h GLY 38 Ca -0.38 -0.03 0.21 0.00 0.00 0.00 0.00 47.33 47.13 1x5c h GLY 38 CO 0.98 -0.11 0.44 0.45 0.00 0.00 0.00 176.54 178.29 1x5c h HIS 39 N 0.26 0.74 -0.08 5.60 3.86 -1.92 -0.41 115.15 123.21 1x5c h HIS 39 Ca 0.32 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.58 1x5c h HIS 39 Cb 0.47 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1x5c h HIS 39 CO -0.25 0.01 -0.00 0.00 0.86 0.00 0.00 177.93 178.55 1x5c h LYS 41 N 0.03 0.00 0.00 0.00 6.56 -0.93 1.70 116.57 123.92 1x5c h LYS 41 Ca 0.03 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.40 1x5c h LYS 41 Cb 0.04 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.66 1x5c h LYS 41 CO -0.06 0.00 -1.66 1.04 -2.06 0.00 0.00 179.45 176.72 1x5c n GLN 42 N -3.37 0.63 0.14 3.15 6.02 -0.60 -3.98 117.38 119.37 1x5c n GLN 42 Ca 0.16 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.48 1x5c n GLN 42 Cb 1.15 -1.76 0.26 0.00 1.02 0.00 0.00 30.24 30.91 1x5c n GLN 42 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1x5c h LEU 43 N 0.00 0.00 -0.11 1.08 5.85 0.28 -3.32 115.31 119.10 1x5c h LEU 43 Ca -0.24 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1x5c h LEU 43 Cb 1.78 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.75 1x5c h LEU 43 CO 0.05 0.01 -0.28 0.00 -0.34 0.00 0.00 178.44 177.89 1x5c h ALA 44 N 2.29 -0.31 -0.08 1.25 0.00 -0.81 0.49 119.26 122.09 1x5c h ALA 44 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x5c h ALA 44 Cb 0.85 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1x5c h ALA 44 CO 0.00 -0.76 -0.08 -1.00 0.00 0.00 0.00 179.25 177.42 1x5c h PRO 45 N -0.36 0.20 -1.00 0.00 0.13 -1.80 -1.83 132.00 127.32 1x5c h PRO 45 Ca 0.09 -0.10 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1x5c h PRO 45 Cb 0.51 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 1x5c h PRO 45 CO -0.32 0.62 0.65 0.82 -0.23 0.00 0.00 178.00 179.55 1x5c h ILE 46 N -0.23 1.15 -0.20 -3.56 2.04 -1.62 0.15 117.51 115.25 1x5c h ILE 46 Ca 0.01 -0.43 -0.16 0.00 1.00 0.00 0.00 64.86 65.28 1x5c h ILE 46 Cb 0.59 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1x5c h ILE 46 CO 0.02 0.23 -0.55 -0.25 0.00 0.00 0.00 178.15 177.60 1x5c h TRP 47 N 1.24 0.75 0.00 1.37 2.91 -0.02 -2.45 115.95 119.75 1x5c h TRP 47 Ca 0.41 -0.26 -0.12 0.00 1.13 0.00 0.00 58.89 60.05 1x5c h TRP 47 Cb 0.04 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 1x5c h TRP 47 CO -0.00 1.01 -0.56 0.22 -1.03 0.00 0.00 178.44 178.08 1x5c h ASP 48 N 0.46 0.00 1.12 2.65 1.82 -0.57 -1.23 116.42 120.66 1x5c h ASP 48 Ca 0.01 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.53 1x5c h ASP 48 Cb 1.10 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 1x5c h ASP 48 CO 0.11 0.56 -0.56 0.11 -1.61 0.00 0.00 179.24 177.84 1x5c h LYS 49 N 0.00 0.00 0.09 0.28 1.57 -0.61 -3.06 116.57 114.84 1x5c h LYS 49 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.47 1x5c h LYS 49 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1x5c h LYS 49 CO 0.07 0.56 -1.57 1.25 -0.57 0.00 0.00 179.45 179.19 1x5c h LEU 50 N 0.00 0.29 -0.74 2.94 5.85 -1.26 -3.33 115.31 119.05 1x5c h LEU 50 Ca -0.01 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1x5c h LEU 50 Cb 1.27 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1x5c h LEU 50 CO 0.07 1.38 0.23 1.23 -0.34 0.00 0.00 178.44 181.00 1x5c h GLY 51 N 2.06 1.25 2.00 3.75 0.00 -1.26 -2.22 103.07 108.65 1x5c h GLY 51 Ca -0.25 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 1x5c h GLY 51 CO 0.14 0.70 -0.07 1.05 0.00 0.00 0.00 176.54 178.36 1x5c h GLU 52 N 1.11 0.00 -0.07 4.80 4.11 -1.48 0.22 114.58 123.28 1x5c h GLU 52 Ca 0.24 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.47 1x5c h GLU 52 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1x5c h GLU 52 CO -0.01 0.07 -0.79 1.15 0.07 0.00 0.00 179.01 179.50 1x5c h THR 53 N 0.00 1.36 -0.14 -1.06 2.02 -1.51 -3.27 112.91 110.31 1x5c h THR 53 Ca -0.00 -2.19 -0.06 0.00 0.77 0.00 0.00 66.41 64.94 1x5c h THR 53 Cb 0.33 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1x5c h THR 53 CO 0.01 0.66 -0.18 -1.22 0.37 0.00 0.00 175.52 175.16 1x5c n TYR 54 N -3.83 0.47 0.11 3.16 4.02 -0.93 -4.66 117.16 115.51 1x5c n TYR 54 Ca -0.06 -1.33 -0.03 0.00 -0.01 0.00 0.00 57.90 56.48 1x5c n TYR 54 Cb 0.75 -0.31 0.17 0.00 -0.02 0.00 0.00 39.34 39.92 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 0.88 0.12 -0.15 -0.72 2.10 -0.62 -3.15 116.57 115.03 1x5c h LYS 55 Ca 0.07 -0.08 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 1x5c h LYS 55 Cb 1.27 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.57 1x5c h LYS 55 CO 0.15 0.66 -0.22 -0.25 -2.00 0.00 0.00 179.45 177.80 1x5c n ASP 56 N -3.87 2.30 -3.00 7.07 8.00 -1.26 -5.00 116.55 120.79 1x5c n ASP 56 Ca -0.02 -3.63 -0.14 0.00 0.71 0.00 0.00 54.79 51.72 1x5c n ASP 56 Cb 0.59 -0.55 0.12 0.00 -0.02 0.00 0.00 41.12 41.26 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1x5c n HIS 57 N -1.12 -3.28 -0.13 1.24 -0.00 -1.19 -5.03 115.22 105.71 1x5c n HIS 57 Ca 0.24 -0.43 -0.27 0.00 0.46 0.00 0.00 57.72 57.71 1x5c n HIS 57 Cb 0.82 -0.52 -0.09 0.00 -0.12 0.00 0.00 29.99 30.08 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 -3.15 0.54 -0.01 1.57 0.28 -1.26 -4.80 120.64 113.80 1x5c n GLU 58 Ca 0.07 0.23 -0.01 0.00 -0.16 0.00 0.00 57.16 57.29 1x5c n GLU 58 Cb 0.27 -1.41 -0.03 0.00 1.43 0.00 0.00 31.44 31.69 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 -4.11 4.04 -4.67 -1.84 0.23 -1.26 -4.99 115.26 102.66 1x5c n ASN 59 Ca -0.50 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.13 1x5c n ASN 59 Cb 0.86 0.77 -0.03 0.00 -2.08 0.00 0.00 39.78 39.31 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 -2.15 4.79 -0.21 1.53 1.01 -1.26 0.28 121.20 125.20 1x5c s ILE 60 Ca -0.02 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 62.47 1x5c s ILE 60 Cb 0.02 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.31 1x5c s ILE 60 CO 0.16 -0.04 0.05 -0.69 0.00 0.00 0.00 174.94 174.42 1x5c s VAL 61 N 2.43 0.50 0.21 2.92 1.01 -0.55 -4.23 120.40 122.69 1x5c s VAL 61 Ca 0.43 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1x5c s VAL 61 Cb -0.17 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 1x5c s VAL 61 CO 0.12 -0.27 0.90 -0.63 0.00 0.00 0.00 175.10 175.22 1x5c s ILE 62 N 1.86 4.17 0.06 2.22 -1.09 -1.26 -1.24 121.20 125.92 1x5c s ILE 62 Ca 0.00 1.99 -0.15 0.00 -2.23 0.00 0.00 60.65 60.27 1x5c s ILE 62 Cb -0.17 -4.28 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1x5c s ILE 62 CO -0.10 0.50 0.34 0.00 -1.23 0.00 0.00 174.94 174.44 1x5c s ALA 63 N -1.10 -0.77 0.06 9.38 0.00 -0.79 -2.16 121.76 126.38 1x5c s ALA 63 Ca 0.40 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.44 1x5c s ALA 63 Cb -0.25 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1x5c s ALA 63 CO 0.30 -0.47 -0.15 -1.59 0.00 0.00 0.00 175.76 173.85 1x5c s LYS 64 N -2.84 0.92 -0.07 0.00 -2.85 0.10 -1.88 119.74 113.11 1x5c s LYS 64 Ca -0.03 -0.90 -0.06 0.00 -1.00 0.00 0.00 55.97 53.98 1x5c s LYS 64 Cb 0.00 -0.96 0.02 0.00 -2.06 0.00 0.00 37.83 34.84 1x5c s LYS 64 CO -0.05 0.22 0.19 1.41 0.10 0.00 0.00 175.35 177.22 1x5c s MET 65 N -1.51 0.21 -0.71 1.78 1.75 -0.95 -0.85 119.30 119.03 1x5c s MET 65 Ca 0.01 0.28 -0.22 0.00 -1.25 0.00 0.00 55.69 54.50 1x5c s MET 65 Cb -0.09 0.08 0.08 0.00 2.84 0.00 0.00 34.83 37.74 1x5c s MET 65 CO 0.02 -0.04 1.01 -0.51 -0.65 0.00 0.00 175.02 174.86 1x5c s ASP 66 N 0.20 6.24 0.64 1.11 1.01 -1.26 -2.80 116.67 121.80 1x5c s ASP 66 Ca -0.01 -1.11 0.39 0.00 0.71 0.00 0.00 52.55 52.52 1x5c s ASP 66 Cb -0.02 -2.43 2.18 0.00 1.01 0.00 0.00 42.92 43.66 1x5c s ASP 66 CO -0.00 -1.42 2.33 -1.28 0.21 0.00 0.00 175.17 175.01 1x5c h SER 67 N 9.50 0.00 0.86 0.27 0.87 -1.72 1.12 113.55 124.46 1x5c h SER 67 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1x5c h SER 67 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1x5c h SER 67 CO 1.19 0.00 -0.19 0.35 -0.53 0.00 0.00 176.83 177.65 1x5c n THR 68 N -3.40 0.05 0.00 2.23 -2.24 -1.26 -3.78 114.28 105.88 1x5c n THR 68 Ca -0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1x5c n THR 68 Cb 0.08 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.53 1.69 -3.66 6.98 0.00 0.56 -4.98 120.51 119.57 1x5c n ALA 69 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 1x5c n ALA 69 Cb 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.16 2.67 -0.13 0.00 0.01 0.36 -4.84 114.94 111.85 1x5c s ASN 70 Ca 0.00 -0.75 -0.05 0.00 -0.71 0.00 0.00 52.86 51.35 1x5c s ASN 70 Cb 0.00 -0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 1x5c s ASN 70 CO 0.00 -0.34 0.05 -0.70 -1.51 0.00 0.00 177.10 174.60 1x5c s GLU 71 N 2.00 3.42 0.02 -0.60 2.12 -1.26 -4.21 118.70 120.20 1x5c s GLU 71 Ca 0.01 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 1x5c s GLU 71 Cb -0.16 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 1x5c s GLU 71 CO -0.10 0.56 0.00 0.14 -0.54 0.00 0.00 175.26 175.33 1x5c s VAL 72 N -0.47 0.11 0.02 3.70 -7.23 -1.26 -4.93 120.40 110.35 1x5c s VAL 72 Ca 0.10 -0.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.47 1x5c s VAL 72 Cb -0.12 -0.33 -0.17 0.00 0.56 0.00 0.00 36.38 36.32 1x5c s VAL 72 CO 0.02 -0.49 1.12 1.05 -0.31 0.00 0.00 175.10 176.48 1x5c h GLU 73 N 4.53 0.00 0.00 4.82 4.11 -2.01 -3.25 114.58 122.78 1x5c h GLU 73 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 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 0.42 0.75 0.00 0.00 0.07 0.00 0.00 179.01 180.25 1x5c n ALA 74 N -2.39 1.12 -3.45 1.06 0.00 -1.26 -4.35 120.51 111.24 1x5c n ALA 74 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1x5c n ALA 74 Cb 0.93 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 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 -3.11 -0.82 -0.19 0.00 1.01 -1.23 -4.98 120.40 111.08 1x5c s VAL 75 Ca 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1x5c s VAL 75 Cb 0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1x5c s VAL 75 CO 0.09 -0.01 0.32 -0.54 0.00 0.00 0.00 175.10 174.95 1x5c s LYS 76 N 2.74 4.20 -0.22 2.72 -0.14 -1.26 -4.44 119.74 123.34 1x5c s LYS 76 Ca 0.06 0.09 0.01 0.00 -1.36 0.00 0.00 55.97 54.77 1x5c s LYS 76 Cb -0.14 -3.48 0.05 0.00 -1.68 0.00 0.00 37.83 32.58 1x5c s LYS 76 CO -0.17 0.11 -0.07 0.08 -0.76 0.00 0.00 175.35 174.54 1x5c s VAL 77 N 0.88 1.53 -0.21 3.17 1.01 -1.26 -4.97 120.40 120.54 1x5c s VAL 77 Ca 0.16 -1.11 0.15 0.00 0.00 0.00 0.00 61.98 61.18 1x5c s VAL 77 Cb -0.14 -1.73 0.57 0.00 0.00 0.00 0.00 36.38 35.08 1x5c s VAL 77 CO 0.06 0.00 1.49 1.41 0.00 0.00 0.00 175.10 178.06 1x5c n HIS 78 N 4.69 1.20 -3.75 5.22 8.25 -1.26 -5.00 115.22 124.57 1x5c n HIS 78 Ca -0.13 -1.00 -0.03 0.00 -0.26 0.00 0.00 57.72 56.31 1x5c n HIS 78 Cb 0.45 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x5c s SER 79 N -1.85 -0.15 -0.06 0.41 0.01 -1.26 -5.19 113.70 105.62 1x5c s SER 79 Ca 0.45 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1x5c s SER 79 Cb 0.37 0.45 0.09 0.00 0.21 0.00 0.00 66.02 67.13 1x5c s SER 79 CO 0.09 -0.83 0.78 -0.36 0.41 0.00 0.00 173.24 173.33 1x5c s PHE 80 N -3.10 -0.53 0.47 2.43 0.08 -1.26 -4.18 117.98 111.89 1x5c s PHE 80 Ca 0.13 0.82 -0.22 0.00 0.12 0.00 0.00 56.93 57.78 1x5c s PHE 80 Cb -0.01 0.45 -0.07 0.00 -0.57 0.00 0.00 43.02 42.82 1x5c s PHE 80 CO 0.02 -0.55 1.16 -1.25 -0.10 0.00 0.00 175.22 174.49 1x5c s PRO 81 N -1.61 3.71 -0.11 0.24 0.04 -1.26 -4.93 135.00 131.08 1x5c s PRO 81 Ca -0.06 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1x5c s PRO 81 Cb -0.00 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1x5c s PRO 81 CO 0.03 -0.59 -0.13 0.99 0.04 0.00 0.00 177.00 177.35 1x5c s THR 82 N -1.58 1.34 -0.07 1.26 2.01 0.60 -5.02 115.64 114.18 1x5c s THR 82 Ca 0.65 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1x5c s THR 82 Cb -0.28 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1x5c s THR 82 CO 0.33 0.41 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.83 1x5c s LEU 83 N 1.17 3.07 -0.04 4.42 1.43 -1.26 0.11 118.68 127.58 1x5c s LEU 83 Ca -0.04 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1x5c s LEU 83 Cb -0.14 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1x5c s LEU 83 CO -0.04 0.34 0.02 -0.54 0.23 0.00 0.00 176.35 176.37 1x5c s LYS 84 N -0.67 0.19 -0.12 1.70 1.02 -1.06 -2.89 119.74 117.91 1x5c s LYS 84 Ca 0.10 0.19 -0.17 0.00 0.02 0.00 0.00 55.97 56.11 1x5c s LYS 84 Cb -0.11 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1x5c s LYS 84 CO 0.02 -0.23 0.44 0.12 -0.92 0.00 0.00 175.35 174.77 1x5c s PHE 85 N 1.56 3.52 -0.41 3.18 5.36 0.53 -2.16 117.98 129.56 1x5c s PHE 85 Ca -0.02 0.84 -0.08 0.00 -0.96 0.00 0.00 56.93 56.71 1x5c s PHE 85 Cb -0.13 -2.49 0.08 0.00 -0.34 0.00 0.00 43.02 40.14 1x5c s PHE 85 CO -0.03 0.22 0.24 -0.06 -1.46 0.00 0.00 175.22 174.13 1x5c s PHE 86 N 0.46 3.38 0.56 10.12 0.08 0.42 0.22 117.98 133.22 1x5c s PHE 86 Ca 0.24 -1.73 -0.19 0.00 0.12 0.00 0.00 56.93 55.37 1x5c s PHE 86 Cb -0.15 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 1x5c s PHE 86 CO 0.09 -0.88 1.13 -1.25 -0.10 0.00 0.00 175.22 174.21 1x5c s PRO 87 N 1.36 3.29 -1.03 0.24 0.04 -1.26 -1.81 135.00 135.83 1x5c s PRO 87 Ca 0.03 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.41 1x5c s PRO 87 Cb -0.23 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1x5c s PRO 87 CO 0.01 -0.89 2.03 0.00 0.04 0.00 0.00 177.00 178.18 1x5c s ALA 88 N -1.85 1.38 -0.02 8.56 0.00 -1.24 -4.83 121.76 123.76 1x5c s ALA 88 Ca 0.72 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1x5c s ALA 88 Cb -0.23 -4.63 0.03 0.00 0.00 0.00 0.00 23.12 18.28 1x5c s ALA 88 CO 0.29 -5.50 0.02 0.45 0.00 0.00 0.00 175.76 171.02 1x5c s SER 89 N 7.87 0.24 0.57 0.00 0.15 -1.26 -4.20 113.70 117.06 1x5c s SER 89 Ca 0.74 0.02 0.18 0.00 0.70 0.00 0.00 55.95 57.59 1x5c s SER 89 Cb -0.05 -0.12 0.96 0.00 -1.71 0.00 0.00 66.02 65.10 1x5c s SER 89 CO 0.09 -0.13 1.50 0.00 1.20 0.00 0.00 173.24 175.91 1x5c h ALA 90 N 7.35 1.47 -2.25 5.45 0.00 -1.93 -3.40 119.26 125.94 1x5c h ALA 90 Ca -0.43 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.00 1x5c h ALA 90 Cb 1.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1x5c h ALA 90 CO 0.46 -0.47 -0.20 0.34 0.00 0.00 0.00 179.25 179.39 1x5c s ASP 91 N -3.76 6.30 -1.43 0.00 2.15 -1.26 -4.90 116.67 113.78 1x5c s ASP 91 Ca -0.02 0.45 -0.13 0.00 0.43 0.00 0.00 52.55 53.29 1x5c s ASP 91 Cb 0.05 -2.03 0.06 0.00 -0.30 0.00 0.00 42.92 40.70 1x5c s ASP 91 CO 0.16 -0.28 2.19 0.54 -0.17 0.00 0.00 175.17 177.61 1x5c n ARG 92 N -1.72 3.10 -3.57 4.34 1.74 -1.26 -4.95 116.66 114.34 1x5c n ARG 92 Ca -0.05 -2.80 -0.37 0.00 -0.77 0.00 0.00 57.85 53.86 1x5c n ARG 92 Cb 0.56 -3.17 -0.06 0.00 -1.02 0.00 0.00 32.46 28.77 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 2.44 5.11 -0.02 0.55 2.01 -1.26 -5.09 115.64 119.36 1x5c s THR 93 Ca 0.47 0.64 0.04 0.00 0.31 0.00 0.00 61.69 63.14 1x5c s THR 93 Cb 0.13 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 1x5c s THR 93 CO -0.07 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.54 1x5c s VAL 94 N -1.17 1.04 -0.12 3.82 1.01 -1.26 -4.26 120.40 119.45 1x5c s VAL 94 Ca 0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1x5c s VAL 94 Cb -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1x5c s VAL 94 CO 0.14 0.31 -0.10 -0.63 0.00 0.00 0.00 175.10 174.82 1x5c s ILE 95 N -0.02 3.39 0.06 2.22 1.01 0.13 -4.96 121.20 123.04 1x5c s ILE 95 Ca -0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1x5c s ILE 95 Cb -0.08 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1x5c s ILE 95 CO 0.01 0.53 1.05 1.51 0.00 0.00 0.00 174.94 178.04 1x5c s ASP 96 N 0.10 7.30 -0.41 3.58 -4.77 -1.26 -0.34 116.67 120.87 1x5c s ASP 96 Ca -0.04 1.84 -0.11 0.00 -3.30 0.00 0.00 52.55 50.95 1x5c s ASP 96 Cb -0.14 -2.58 0.05 0.00 -1.09 0.00 0.00 42.92 39.16 1x5c s ASP 96 CO 0.04 -0.27 0.25 -0.47 0.70 0.00 0.00 175.17 175.42 1x5c s TYR 97 N 0.64 3.28 -0.51 2.11 6.14 -1.14 -4.89 117.35 122.98 1x5c s TYR 97 Ca 0.52 -1.19 0.07 0.00 0.64 0.00 0.00 57.07 57.12 1x5c s TYR 97 Cb -0.25 -2.74 0.35 0.00 0.42 0.00 0.00 41.96 39.74 1x5c s TYR 97 CO 0.30 -0.75 0.89 0.09 0.64 0.00 0.00 175.55 176.72 1x5c n ASN 98 N 4.99 3.37 0.00 4.32 3.02 -1.26 -4.66 115.26 125.04 1x5c n ASN 98 Ca -0.11 -3.47 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 1x5c n ASN 98 Cb 0.44 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.10 3.55 0.28 7.41 0.00 -1.26 -4.99 105.19 110.08 1x5c n GLY 99 Ca 0.29 -1.85 0.17 0.00 0.00 0.00 0.00 46.02 44.63 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 -5.80 1.61 4.11 -1.97 -3.47 114.58 109.07 1x5c h GLU 100 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.06 1x5c h GLU 100 Cb 0.00 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.38 1x5c h GLU 100 CO 0.00 0.01 -0.76 0.54 0.07 0.00 0.00 179.01 178.87 1x5c n ARG 101 N -3.11 -6.59 -4.37 1.06 1.74 -1.26 -5.01 116.66 99.12 1x5c n ARG 101 Ca 0.01 0.80 -0.20 0.00 -0.77 0.00 0.00 57.85 57.68 1x5c n ARG 101 Cb 0.31 -5.74 -0.10 0.00 -1.02 0.00 0.00 32.46 25.91 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5c s THR 102 N -3.40 1.87 0.17 0.55 -4.23 -1.26 -4.98 115.64 104.36 1x5c s THR 102 Ca 0.16 -2.24 -0.17 0.00 -1.18 0.00 0.00 61.69 58.26 1x5c s THR 102 Cb -0.07 -2.11 0.12 0.00 1.34 0.00 0.00 72.50 71.77 1x5c s THR 102 CO 0.75 -0.55 1.65 0.25 -0.54 0.00 0.00 174.62 176.18 1x5c h LEU 103 N 2.49 -0.50 -0.41 4.79 5.85 -1.95 0.47 115.31 126.06 1x5c h LEU 103 Ca -0.38 0.14 -0.18 0.00 0.84 0.00 0.00 57.88 58.29 1x5c h LEU 103 Cb 1.23 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1x5c h LEU 103 CO 0.62 -0.18 -0.72 0.44 -0.34 0.00 0.00 178.44 178.26 1x5c h ASP 104 N -0.04 0.49 -0.06 1.25 5.19 -1.96 -3.17 116.42 118.11 1x5c h ASP 104 Ca 0.21 -0.32 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 1x5c h ASP 104 Cb 0.36 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1x5c h ASP 104 CO -0.47 1.06 -0.16 1.23 -3.12 0.00 0.00 179.24 177.77 1x5c h GLY 105 N 1.27 0.45 1.04 2.75 0.00 -1.64 -2.91 103.07 104.02 1x5c h GLY 105 Ca -0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1x5c h GLY 105 CO 0.12 0.29 -0.04 0.74 0.00 0.00 0.00 176.54 177.66 1x5c h PHE 106 N 0.38 1.02 -0.80 5.60 0.04 -0.08 -2.96 116.94 120.14 1x5c h PHE 106 Ca 0.07 -0.19 0.08 0.00 2.80 0.00 0.00 57.97 60.73 1x5c h PHE 106 Cb 0.51 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.34 1x5c h PHE 106 CO 0.01 0.96 0.46 0.87 -0.60 0.00 0.00 178.31 180.01 1x5c h LYS 107 N 0.80 0.79 -0.34 1.51 1.57 -1.50 -0.35 116.57 119.05 1x5c h LYS 107 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1x5c h LYS 107 Cb 0.57 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1x5c h LYS 107 CO 0.03 0.52 0.22 0.87 -0.57 0.00 0.00 179.45 180.52 1x5c h LYS 108 N 0.81 0.46 -0.38 3.15 1.57 -1.46 0.46 116.57 121.18 1x5c h LYS 108 Ca 0.37 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1x5c h LYS 108 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1x5c h LYS 108 CO -0.22 0.33 0.19 0.35 -0.57 0.00 0.00 179.45 179.52 1x5c h PHE 109 N 0.45 0.55 0.37 -1.35 3.04 -1.23 -2.68 116.94 116.10 1x5c h PHE 109 Ca 0.12 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 1x5c h PHE 109 Cb -0.02 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.32 1x5c h PHE 109 CO -0.05 0.46 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.46 1x5c h LEU 110 N 0.48 -0.42 -1.33 0.59 3.38 -0.85 -2.07 115.31 115.10 1x5c h LEU 110 Ca 0.13 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.56 1x5c h LEU 110 Cb 0.12 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 1x5c h LEU 110 CO -0.02 -0.17 0.88 -0.62 0.09 0.00 0.00 178.44 178.61 1x5c n GLU 111 N -4.04 -0.03 -0.01 1.13 1.02 0.16 0.23 120.64 119.10 1x5c n GLU 111 Ca -0.06 1.08 -0.17 0.00 -0.02 0.00 0.00 57.16 57.99 1x5c n GLU 111 Cb 0.19 -2.20 -0.09 0.00 -0.02 0.00 0.00 31.44 29.32 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 0.74 0.00 1.62 0.02 -1.43 -3.48 113.55 111.02 1x5c h SER 112 Ca 0.79 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1x5c h SER 112 Cb 2.69 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 65.00 1x5c h SER 112 CO -0.34 1.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 1x5c n GLY 113 N 0.80 1.51 3.58 -3.77 0.00 0.64 -4.68 105.19 103.28 1x5c n GLY 113 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.22 -0.39 0.14 -0.02 0.00 -0.82 -4.92 105.19 98.96 1x5c n GLY 114 Ca 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1x5c n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1x5c h GLN 115 N -2.08 0.32 -6.35 1.61 3.07 -1.83 -3.47 115.11 106.38 1x5c h GLN 115 Ca -0.59 -0.55 -0.62 0.00 0.09 0.00 0.00 58.65 56.98 1x5c h GLN 115 Cb 1.35 0.20 0.11 0.00 0.08 0.00 0.00 27.48 29.23 1x5c h GLN 115 CO 0.55 1.26 -0.09 0.45 0.09 0.00 0.00 178.83 181.08 1x5c n SER 116 N -3.53 0.44 0.00 0.06 2.88 -1.26 -4.89 113.62 107.33 1x5c n SER 116 Ca -0.29 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1x5c n SER 116 Cb 1.06 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1x5c n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5c n GLY 117 N 1.47 1.58 3.63 0.46 0.00 -1.26 -4.97 105.19 106.10 1x5c n GLY 117 Ca 0.12 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.80 -0.51 -0.20 1.61 0.04 -1.26 -5.07 135.00 127.81 1x5c s PRO 118 Ca 0.00 0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.19 1x5c s PRO 118 Cb 0.00 -1.66 0.07 0.00 0.04 0.00 0.00 34.50 32.95 1x5c s PRO 118 CO 0.00 -3.29 0.10 0.45 0.04 0.00 0.00 177.00 174.29 1x5c s SER 119 N -3.68 2.64 -0.95 6.66 0.15 -1.26 -5.08 113.70 112.18 1x5c s SER 119 Ca 0.68 -0.78 -0.09 0.00 0.70 0.00 0.00 55.95 56.46 1x5c s SER 119 Cb -0.14 -0.28 0.24 0.00 -1.71 0.00 0.00 66.02 64.13 1x5c s SER 119 CO 0.57 -0.37 0.90 -0.94 1.20 0.00 0.00 173.24 174.60 1x5c s SER 120 N 2.11 6.80 0.00 5.45 1.04 -1.26 -5.37 113.70 122.48 1x5c s SER 120 Ca 0.03 -3.25 0.00 0.00 0.48 0.00 0.00 55.95 53.21 1x5c s SER 120 Cb -0.16 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1x5c s SER 120 CO -0.15 -0.38 0.29 0.61 0.98 0.00 0.00 173.24 174.59