#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5c h LYS 30 N 0.00 0.64 -0.08 -0.72 1.57 -2.00 -1.80 116.57 114.19 2x5c h LYS 30 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2x5c h LYS 30 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2x5c h LYS 30 CO 0.00 0.73 0.05 1.96 -0.57 0.00 0.00 179.45 181.62 2x5c h GLN 31 N 0.47 0.11 -0.55 3.15 7.50 -2.00 -2.12 115.11 121.68 2x5c h GLN 31 Ca 0.11 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.32 2x5c h GLN 31 Cb 0.42 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.86 2x5c h GLN 31 CO 0.01 0.10 0.22 0.93 -1.50 0.00 0.00 178.83 178.59 2x5c h GLU 32 N 0.08 0.40 -0.38 1.46 5.08 -1.97 -1.90 114.58 117.36 2x5c h GLU 32 Ca 0.03 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2x5c h GLU 32 Cb 0.02 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2x5c h GLU 32 CO -0.01 0.26 0.10 -0.92 -1.00 0.00 0.00 179.01 177.45 2x5c h TYR 33 N 0.41 0.17 -0.77 4.33 3.20 -1.08 -0.75 116.97 122.49 2x5c h TYR 33 Ca 0.26 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 2x5c h TYR 33 Cb 0.28 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2x5c h TYR 33 CO -0.15 0.05 0.26 -0.44 -1.64 0.00 0.00 178.16 176.24 2x5c h ASP 34 N 0.24 1.09 -0.57 -2.11 3.32 -0.77 -0.42 116.42 117.21 2x5c h ASP 34 Ca 0.18 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 2x5c h ASP 34 Cb 0.19 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2x5c h ASP 34 CO -0.21 1.00 0.06 0.24 -1.72 0.00 0.00 179.24 178.60 2x5c h MET 35 N 1.13 0.96 -0.74 3.56 2.86 -1.15 0.02 114.93 121.57 2x5c h MET 35 Ca 0.25 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2x5c h MET 35 Cb 0.28 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2x5c h MET 35 CO -0.01 0.94 0.41 0.00 1.06 0.00 0.00 176.91 179.31 2x5c h ALA 36 N 0.99 0.95 -0.57 6.32 0.00 -0.95 -1.58 119.26 124.41 2x5c h ALA 36 Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2x5c h ALA 36 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2x5c h ALA 36 CO 0.02 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.78 2x5c h ALA 37 N 1.21 1.03 -0.48 0.00 0.00 -0.70 -0.63 119.26 119.69 2x5c h ALA 37 Ca 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2x5c h ALA 37 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2x5c h ALA 37 CO -0.04 0.61 0.07 0.22 0.00 0.00 0.00 179.25 180.11 2x5c h ASP 38 N 0.88 0.77 -0.75 0.00 3.58 -0.64 -0.29 116.42 119.97 2x5c h ASP 38 Ca 0.17 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 2x5c h ASP 38 Cb 0.44 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2x5c h ASP 38 CO 0.01 0.84 0.32 -0.07 -2.88 0.00 0.00 179.24 177.47 2x5c h LEU 39 N 0.67 1.02 -0.53 2.28 3.38 -0.64 -0.79 115.31 120.69 2x5c h LEU 39 Ca 0.14 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2x5c h LEU 39 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2x5c h LEU 39 CO 0.01 0.90 0.15 0.58 0.09 0.00 0.00 178.44 180.17 2x5c h VAL 40 N 1.07 1.24 -0.20 1.22 2.07 -0.80 0.13 116.25 120.97 2x5c h VAL 40 Ca 0.25 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2x5c h VAL 40 Cb 0.19 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2x5c h VAL 40 CO -0.02 0.31 0.07 -0.09 0.02 0.00 0.00 177.57 177.85 2x5c h ARG 41 N 0.74 0.16 -0.25 1.57 2.43 -0.65 0.72 114.38 119.10 2x5c h ARG 41 Ca 0.17 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2x5c h ARG 41 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2x5c h ARG 41 CO -0.00 0.11 0.16 0.52 -1.51 0.00 0.00 179.97 179.24 2x5c h MET 42 N 0.17 0.34 -0.92 0.20 2.86 -0.85 -1.52 114.93 115.21 2x5c h MET 42 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2x5c h MET 42 Cb 0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2x5c h MET 42 CO -0.09 0.25 0.55 -0.07 1.06 0.00 0.00 176.91 178.62 2x5c h LEU 43 N 0.32 1.10 -0.87 1.22 3.38 -0.59 -2.15 115.31 117.73 2x5c h LEU 43 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x5c h LEU 43 Cb -0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2x5c h LEU 43 CO -0.02 0.85 0.55 -0.09 0.09 0.00 0.00 178.44 179.82 2x5c h ARG 44 N 1.26 1.17 -0.83 1.13 2.43 -0.30 -0.54 114.38 118.71 2x5c h ARG 44 Ca 0.33 -0.09 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2x5c h ARG 44 Cb -0.05 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.19 2x5c h ARG 44 CO -0.06 0.80 0.54 0.78 -1.51 0.00 0.00 179.97 180.52 2x5c h GLY 45 N 1.19 1.13 2.00 2.80 0.00 -0.66 -0.94 103.07 108.60 2x5c h GLY 45 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2x5c h GLY 45 CO -0.06 0.19 0.00 1.04 0.00 0.00 0.00 176.54 177.71 2x5c n LEU 46 N -4.51 0.00 0.00 3.11 4.77 -0.44 -4.90 117.00 115.03 2x5c n LEU 46 Ca 0.14 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2x5c n LEU 46 Cb 0.31 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2x5c n LEU 46 CO 0.32 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2x5c n GLY 47 N 1.19 0.66 3.63 -0.72 0.00 -0.36 -5.05 105.19 104.55 2x5c n GLY 47 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2x5c n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x5c s VAL 48 N -2.08 4.86 -0.14 1.61 1.01 -0.34 -4.97 120.40 120.34 2x5c s VAL 48 Ca 0.00 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.35 2x5c s VAL 48 Cb 0.00 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2x5c s VAL 48 CO 0.00 -0.11 -0.20 -0.36 0.00 0.00 0.00 175.10 174.43 2x5c s PHE 49 N 2.80 2.51 0.28 5.22 0.08 -1.26 -3.69 117.98 123.92 2x5c s PHE 49 Ca 0.32 -1.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.03 2x5c s PHE 49 Cb -0.15 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2x5c s PHE 49 CO 0.09 -0.62 0.52 -1.64 -0.10 0.00 0.00 175.22 173.48 2x5c s MET 50 N 0.95 3.61 -0.04 0.44 -1.94 -1.26 -4.94 119.30 116.12 2x5c s MET 50 Ca -0.05 -0.07 0.07 0.00 -1.71 0.00 0.00 55.69 53.93 2x5c s MET 50 Cb -0.15 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 34.00 2x5c s MET 50 CO -0.04 0.24 -0.25 -1.01 -0.01 0.00 0.00 175.02 173.95 2x5c s HIS 51 N -2.06 2.37 0.06 -0.03 3.76 -1.26 0.30 115.29 118.44 2x5c s HIS 51 Ca 0.43 -0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 54.63 2x5c s HIS 51 Cb -0.11 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.05 2x5c s HIS 51 CO 0.30 -0.14 0.24 0.00 -0.85 0.00 0.00 174.74 174.29 2x5c s ALA 52 N -0.35 -0.46 -0.12 -1.40 0.00 -0.32 -4.92 121.76 114.20 2x5c s ALA 52 Ca 0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 2x5c s ALA 52 Cb -0.12 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2x5c s ALA 52 CO 0.02 -0.45 1.59 0.21 0.00 0.00 0.00 175.76 177.13 2x5c s LYS 53 N -3.08 4.07 0.16 0.00 2.20 -1.26 -1.71 119.74 120.12 2x5c s LYS 53 Ca -0.01 1.95 -0.32 0.00 -0.36 0.00 0.00 55.97 57.23 2x5c s LYS 53 Cb 0.01 -3.97 -0.11 0.00 -1.51 0.00 0.00 37.83 32.25 2x5c s LYS 53 CO -0.07 -0.97 1.70 0.00 -0.36 0.00 0.00 175.35 175.65 2x5c h PRO 55 N 7.33 0.00 0.08 0.00 0.11 -1.90 -0.62 132.00 137.00 2x5c h PRO 55 Ca -0.43 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.31 2x5c h PRO 55 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2x5c h PRO 55 CO 0.94 0.00 -2.06 0.54 -0.21 0.00 0.00 178.00 177.21 2x5c n ARG 56 N -2.50 0.70 0.00 1.05 5.12 -1.26 -4.72 116.66 115.05 2x5c n ARG 56 Ca 0.01 0.27 0.01 0.00 -1.93 0.00 0.00 57.85 56.21 2x5c n ARG 56 Cb 0.23 -1.66 -0.00 0.00 -1.16 0.00 0.00 32.46 29.87 2x5c n ARG 56 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x5c n GLY 58 N 0.66 1.15 3.83 0.00 0.00 -0.24 -5.00 105.19 105.59 2x5c n GLY 58 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2x5c n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x5c s ALA 59 N -2.89 3.11 0.45 4.61 0.00 -1.26 -4.51 121.76 121.27 2x5c s ALA 59 Ca 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 2x5c s ALA 59 Cb 0.00 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.97 2x5c s ALA 59 CO 0.00 0.17 1.36 -2.00 0.00 0.00 0.00 175.76 175.29 2x5c s GLU 60 N -3.10 3.70 0.34 0.00 2.12 -1.26 -1.13 118.70 119.36 2x5c s GLU 60 Ca 0.60 2.26 -0.06 0.00 0.36 0.00 0.00 54.97 58.13 2x5c s GLU 60 Cb -0.10 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.69 2x5c s GLU 60 CO 0.14 -0.75 0.52 0.20 -0.54 0.00 0.00 175.26 174.83 2x5c s GLY 61 N -0.71 1.22 0.04 -1.50 0.00 -0.69 -4.68 107.32 101.01 2x5c s GLY 61 Ca 0.61 -1.34 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 2x5c s GLY 61 CO 0.51 -0.86 0.38 -1.35 0.00 0.00 0.00 173.10 171.78 2x5c s SER 62 N -3.19 6.67 0.15 1.64 1.04 0.75 -1.17 113.70 119.60 2x5c s SER 62 Ca 0.27 0.82 -0.29 0.00 0.48 0.00 0.00 55.95 57.23 2x5c s SER 62 Cb -0.01 -2.19 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 2x5c s SER 62 CO 0.18 0.23 0.93 -0.69 0.98 0.00 0.00 173.24 174.87 2x5c s VAL 63 N -1.28 4.37 0.22 5.02 1.01 0.15 -0.66 120.40 129.22 2x5c s VAL 63 Ca 0.29 2.03 -0.05 0.00 0.00 0.00 0.00 61.98 64.24 2x5c s VAL 63 Cb -0.15 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2x5c s VAL 63 CO 0.16 0.39 0.38 -0.24 0.00 0.00 0.00 175.10 175.79 2x5c n SER 64 N 2.30 -1.09 -4.36 3.32 2.88 -0.36 -4.45 113.62 111.85 2x5c n SER 64 Ca 0.00 -2.00 -0.21 0.00 -1.33 0.00 0.00 58.87 55.33 2x5c n SER 64 Cb 0.48 1.89 -0.11 0.00 -0.75 0.00 0.00 64.21 65.73 2x5c n SER 64 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2x5c s ILE 65 N -2.56 1.92 -0.04 2.46 -4.36 -1.26 -0.84 121.20 116.52 2x5c s ILE 65 Ca 0.13 -2.12 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 2x5c s ILE 65 Cb -0.02 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 2x5c s ILE 65 CO 0.09 -0.43 -0.18 -0.69 0.24 0.00 0.00 174.94 173.97 2x5c s VAL 66 N -2.46 2.70 -0.09 8.37 1.01 -0.05 -4.86 120.40 125.02 2x5c s VAL 66 Ca 0.21 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2x5c s VAL 66 Cb -0.04 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2x5c s VAL 66 CO 0.08 0.58 -0.14 -0.70 0.00 0.00 0.00 175.10 174.93 2x5c s GLU 67 N -0.63 1.96 0.71 2.72 2.12 -1.26 -1.10 118.70 123.21 2x5c s GLU 67 Ca 0.10 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 2x5c s GLU 67 Cb -0.11 -1.66 0.10 0.00 0.26 0.00 0.00 34.13 32.71 2x5c s GLU 67 CO 0.00 -0.03 0.99 0.95 -0.54 0.00 0.00 175.26 176.63 2x5c s THR 68 N 0.89 2.28 0.23 -1.70 -4.23 0.07 -4.95 115.64 108.22 2x5c s THR 68 Ca -0.10 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.91 2x5c s THR 68 Cb -0.15 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.05 2x5c s THR 68 CO 0.01 0.00 1.71 0.50 -0.54 0.00 0.00 174.62 176.29 2x5c h LYS 69 N -0.55 0.31 0.00 3.99 3.64 -2.01 -0.55 116.57 121.39 2x5c h LYS 69 Ca -0.41 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2x5c h LYS 69 Cb 1.28 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2x5c h LYS 69 CO 0.49 0.20 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.87 2x5c h ASN 70 N 0.32 0.00 0.00 4.20 -1.24 -2.05 -3.45 115.58 113.36 2x5c h ASN 70 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 2x5c h ASN 70 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2x5c h ASN 70 CO -0.43 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.34 2x5c n GLY 71 N -0.66 0.71 3.73 1.57 0.00 -0.22 -5.07 105.19 105.26 2x5c n GLY 71 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2x5c n GLY 71 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2x5c n TYR 72 N -1.05 2.75 -4.64 1.61 9.36 -1.26 -4.71 117.16 119.21 2x5c n TYR 72 Ca 0.00 0.28 -0.23 0.00 3.32 0.00 0.00 57.90 61.27 2x5c n TYR 72 Cb 0.00 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 35.99 2x5c n TYR 72 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2x5c s LYS 73 N -0.46 1.20 0.13 2.98 1.02 -1.26 -0.75 119.74 122.59 2x5c s LYS 73 Ca 0.65 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 56.00 2x5c s LYS 73 Cb -0.52 -1.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 2x5c s LYS 73 CO 0.48 0.32 0.03 1.52 -0.92 0.00 0.00 175.35 176.78 2x5c s TYR 74 N -0.51 0.90 0.16 3.18 1.13 -0.26 -4.97 117.35 116.97 2x5c s TYR 74 Ca 0.05 -1.14 -0.14 0.00 -1.41 0.00 0.00 57.07 54.42 2x5c s TYR 74 Cb -0.07 -0.52 -0.07 0.00 -1.10 0.00 0.00 41.96 40.20 2x5c s TYR 74 CO 0.00 -0.41 0.56 -0.51 -2.51 0.00 0.00 175.55 172.69 2x5c s LEU 75 N -3.06 4.32 0.11 -3.49 1.43 -1.26 -0.87 118.68 115.86 2x5c s LEU 75 Ca 0.21 1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 2x5c s LEU 75 Cb 0.07 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2x5c s LEU 75 CO 0.00 0.08 0.00 0.68 0.23 0.00 0.00 176.35 177.35 2x5c s VAL 76 N -1.50 0.34 -0.16 -1.59 -7.23 -0.02 -1.10 120.40 109.14 2x5c s VAL 76 Ca 0.39 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2x5c s VAL 76 Cb -0.15 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2x5c s VAL 76 CO 0.19 -0.68 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.51 2x5c s ILE 77 N -3.87 2.55 -0.23 -0.62 -1.09 0.94 -1.22 121.20 117.66 2x5c s ILE 77 Ca 0.17 -0.80 -0.08 0.00 -2.23 0.00 0.00 60.65 57.71 2x5c s ILE 77 Cb 0.07 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 2x5c s ILE 77 CO -0.02 0.52 0.09 -0.13 -1.23 0.00 0.00 174.94 174.16 2x5c s ARG 78 N 0.92 3.84 0.26 2.79 0.52 0.17 -1.24 118.95 126.20 2x5c s ARG 78 Ca -0.04 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2x5c s ARG 78 Cb -0.15 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 2x5c s ARG 78 CO -0.02 0.00 0.49 -1.01 0.02 0.00 0.00 175.30 174.78 2x5c s HIS 79 N 1.13 3.48 0.57 -0.53 3.76 0.27 -0.17 115.29 123.81 2x5c s HIS 79 Ca 0.05 0.49 0.29 0.00 -0.15 0.00 0.00 55.06 55.74 2x5c s HIS 79 Cb -0.14 -1.98 1.47 0.00 1.11 0.00 0.00 32.58 33.04 2x5c s HIS 79 CO 0.04 0.25 1.90 -1.35 -0.85 0.00 0.00 174.74 174.73 2x5c h PRO 80 N 1.73 0.00 -0.35 8.40 0.11 -1.88 -1.05 132.00 138.96 2x5c h PRO 80 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2x5c h PRO 80 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2x5c h PRO 80 CO 0.66 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 2x5c n ASP 81 N -3.88 1.69 0.00 -2.05 5.75 -1.26 -4.91 116.55 111.89 2x5c n ASP 81 Ca 0.10 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2x5c n ASP 81 Cb 0.72 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2x5c n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x5c n GLY 82 N 0.87 2.83 3.71 6.12 0.00 -0.40 -5.02 105.19 113.31 2x5c n GLY 82 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2x5c n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x5c n GLY 83 N -2.00 1.19 2.92 -0.02 0.00 -1.26 -4.78 105.19 101.24 2x5c n GLY 83 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 2x5c n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x5c s THR 84 N 0.32 0.65 0.04 2.61 -4.23 -1.26 -0.56 115.64 113.21 2x5c s THR 84 Ca 0.69 -0.19 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 2x5c s THR 84 Cb -0.57 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 2x5c s THR 84 CO 0.44 0.25 -0.21 -1.00 -0.54 0.00 0.00 174.62 173.56 2x5c s HIS 85 N 0.89 1.85 0.49 3.99 3.76 -0.37 -4.94 115.29 120.96 2x5c s HIS 85 Ca -0.11 -0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 54.24 2x5c s HIS 85 Cb -0.15 -1.11 -0.09 0.00 1.11 0.00 0.00 32.58 32.35 2x5c s HIS 85 CO 0.01 0.08 0.99 0.95 -0.85 0.00 0.00 174.74 175.92 2x5c s THR 86 N -0.78 4.35 -0.28 1.30 -4.23 -1.26 -0.04 115.64 114.70 2x5c s THR 86 Ca 0.08 1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 2x5c s THR 86 Cb -0.09 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2x5c s THR 86 CO 0.02 -0.51 0.25 -0.69 -0.54 0.00 0.00 174.62 173.14 2x5c s VAL 87 N -2.40 5.27 0.63 2.29 1.01 -0.26 -4.68 120.40 122.26 2x5c s VAL 87 Ca 0.61 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 2x5c s VAL 87 Cb -0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2x5c s VAL 87 CO 0.25 0.20 1.19 -2.16 0.00 0.00 0.00 175.10 174.58 2x5c s PRO 88 N 1.85 2.79 0.60 2.72 0.04 -1.26 -4.70 135.00 137.03 2x5c s PRO 88 Ca 0.09 1.74 0.39 0.00 0.04 0.00 0.00 61.00 63.26 2x5c s PRO 88 Cb -0.16 -1.91 1.87 0.00 0.04 0.00 0.00 34.50 34.34 2x5c s PRO 88 CO 0.11 -1.33 2.16 0.87 0.04 0.00 0.00 177.00 178.85 2x5c h LYS 89 N 0.53 0.00 -0.25 4.56 1.57 -1.98 -2.54 116.57 118.46 2x5c h LYS 89 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2x5c h LYS 89 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2x5c h LYS 89 CO 0.54 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.67 2x5c n THR 90 N -3.04 0.33 -3.22 -0.16 -2.24 -1.26 -4.55 114.28 100.13 2x5c n THR 90 Ca -0.01 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.08 2x5c n THR 90 Cb 0.18 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 2x5c n THR 90 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x5c n ASP 91 N 0.67 -1.23 -0.64 3.42 2.03 -0.96 -4.92 116.55 114.92 2x5c n ASP 91 Ca 0.17 -2.52 0.06 0.00 0.52 0.00 0.00 54.79 53.01 2x5c n ASP 91 Cb 0.40 0.03 0.16 0.00 -0.72 0.00 0.00 41.12 41.00 2x5c n ASP 91 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2x5c n ILE 92 N 2.81 1.26 -0.15 5.18 -5.35 -1.26 -4.50 119.36 117.35 2x5c n ILE 92 Ca 0.27 -1.19 0.04 0.00 -0.27 0.00 0.00 62.75 61.60 2x5c n ILE 92 Cb 0.50 0.34 0.34 0.00 -1.74 0.00 0.00 39.64 39.08 2x5c n ILE 92 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2x5c h SER 93 N 1.83 0.68 -0.10 7.28 4.64 -1.96 -0.57 113.55 125.34 2x5c h SER 93 Ca 0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 2x5c h SER 93 Cb 0.86 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2x5c h SER 93 CO 0.04 0.47 -0.42 0.00 -0.87 0.00 0.00 176.83 176.05 2x5c h ALA 94 N 1.61 0.77 -0.39 5.18 0.00 -1.91 -1.49 119.26 123.03 2x5c h ALA 94 Ca 0.27 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2x5c h ALA 94 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2x5c h ALA 94 CO -0.08 0.66 -0.09 0.82 0.00 0.00 0.00 179.25 180.56 2x5c h ILE 95 N 0.52 1.28 -0.87 0.00 2.04 -1.65 -2.43 117.51 116.39 2x5c h ILE 95 Ca 0.04 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.76 2x5c h ILE 95 Cb 0.95 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2x5c h ILE 95 CO 0.09 0.39 0.56 -0.07 0.00 0.00 0.00 178.15 179.12 2x5c h LEU 96 N 0.56 0.93 -0.21 1.44 3.38 -0.96 0.95 115.31 121.40 2x5c h LEU 96 Ca 0.10 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2x5c h LEU 96 Cb 0.61 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2x5c h LEU 96 CO 0.04 0.64 0.10 0.50 0.09 0.00 0.00 178.44 179.80 2x5c h LYS 97 N 1.09 0.21 -0.64 1.13 3.64 -1.20 0.20 116.57 120.99 2x5c h LYS 97 Ca 0.35 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 2x5c h LYS 97 Cb 0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2x5c h LYS 97 CO -0.12 0.14 0.12 0.93 -2.27 0.00 0.00 179.45 178.25 2x5c h GLU 98 N 0.21 1.03 -0.68 1.90 4.39 -1.14 -1.86 114.58 118.44 2x5c h GLU 98 Ca 0.09 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2x5c h GLU 98 Cb 0.03 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2x5c h GLU 98 CO -0.07 0.94 0.41 -0.07 -1.16 0.00 0.00 179.01 179.07 2x5c h LEU 99 N 0.98 0.81 -0.50 1.33 3.38 -0.25 -0.83 115.31 120.23 2x5c h LEU 99 Ca 0.20 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2x5c h LEU 99 Cb 0.40 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2x5c h LEU 99 CO 0.01 0.63 0.19 0.00 0.09 0.00 0.00 178.44 179.36 2x5c h GLU 101 N 0.37 1.06 -0.48 0.00 4.39 -0.91 -1.98 114.58 117.03 2x5c h GLU 101 Ca 0.24 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2x5c h GLU 101 Cb 0.24 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2x5c h GLU 101 CO -0.23 0.93 0.26 0.28 -1.16 0.00 0.00 179.01 179.09 2x5c h VAL 102 N 0.99 1.00 -0.55 3.13 2.07 -0.99 -0.04 116.25 121.86 2x5c h VAL 102 Ca 0.21 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2x5c h VAL 102 Cb 0.33 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2x5c h VAL 102 CO -0.00 0.09 0.16 0.50 0.02 0.00 0.00 177.57 178.34 2x5c h LYS 103 N 0.52 0.31 -0.59 1.57 3.64 -0.38 0.61 116.57 122.25 2x5c h LYS 103 Ca 0.21 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2x5c h LYS 103 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2x5c h LYS 103 CO -0.13 0.20 0.08 0.87 -2.27 0.00 0.00 179.45 178.21 2x5c h LYS 104 N 0.31 0.98 -0.46 1.90 1.79 -1.04 0.08 116.57 120.15 2x5c h LYS 104 Ca 0.28 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2x5c h LYS 104 Cb 0.35 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.83 2x5c h LYS 104 CO -0.32 0.94 0.12 -0.44 -1.08 0.00 0.00 179.45 178.67 2x5c h ASP 105 N 0.88 0.07 -0.74 0.86 3.32 -0.23 -0.19 116.42 120.40 2x5c h ASP 105 Ca 0.18 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2x5c h ASP 105 Cb 0.44 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2x5c h ASP 105 CO 0.01 0.07 0.27 -0.07 -1.72 0.00 0.00 179.24 177.81 2x5c h LEU 106 N 0.27 1.04 -1.24 1.55 3.38 -0.49 -1.75 115.31 118.07 2x5c h LEU 106 Ca 0.22 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2x5c h LEU 106 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2x5c h LEU 106 CO -0.26 0.95 -0.11 -0.33 0.09 0.00 0.00 178.44 178.77 2x5c h GLU 107 N 1.07 0.39 -0.21 1.13 5.08 -0.71 -0.89 114.58 120.44 2x5c h GLU 107 Ca 0.24 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2x5c h GLU 107 Cb 0.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2x5c h GLU 107 CO -0.02 0.51 -0.32 -0.92 -1.00 0.00 0.00 179.01 177.26 2x5c h TYR 108 N 0.36 0.72 -0.53 4.33 3.20 -0.81 -0.39 116.97 123.86 2x5c h TYR 108 Ca 0.07 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 2x5c h TYR 108 Cb 0.42 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 2x5c h TYR 108 CO 0.01 0.97 0.30 0.28 -1.64 0.00 0.00 178.16 178.09 2x5c h VAL 109 N 0.26 1.17 -0.12 1.81 2.07 -1.04 -1.83 116.25 118.57 2x5c h VAL 109 Ca 0.02 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2x5c h VAL 109 Cb 0.90 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2x5c h VAL 109 CO 0.07 0.18 -0.14 -0.07 0.02 0.00 0.00 177.57 177.63 2x5c h LEU 110 N 0.71 0.17 -1.10 2.57 3.38 -0.95 -1.31 115.31 118.78 2x5c h LEU 110 Ca 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2x5c h LEU 110 Cb 0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2x5c h LEU 110 CO -0.03 0.34 0.34 0.50 0.09 0.00 0.00 178.44 179.67 2x5c h LYS 111 N 0.18 0.96 -0.15 1.13 3.64 -0.29 -0.73 116.57 121.32 2x5c h LYS 111 Ca 0.04 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 59.11 2x5c h LYS 111 Cb 0.37 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2x5c h LYS 111 CO 0.02 0.74 -0.66 0.00 -2.27 0.00 0.00 179.45 177.28 2x5c h ARG 112 N 0.96 0.58 -0.06 1.90 2.47 -0.59 -0.24 114.38 119.41 2x5c h ARG 112 Ca 0.24 -0.43 0.03 0.00 -1.26 0.00 0.00 59.98 58.56 2x5c h ARG 112 Cb 0.09 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 2x5c h ARG 112 CO -0.03 1.05 -0.15 1.88 0.56 0.00 0.00 179.97 183.28 2x5c h TYR 113 N 0.42 -0.39 -0.25 3.04 -1.99 -1.08 -0.08 116.97 116.65 2x5c h TYR 113 Ca -0.02 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.77 2x5c h TYR 113 Cb 1.24 0.18 -0.04 0.00 2.00 0.00 0.00 36.73 40.11 2x5c h TYR 113 CO 0.06 -0.22 -0.02 -0.22 -0.00 0.00 0.00 178.16 177.76 2x5c h LYS 114 N -0.22 0.05 -0.86 4.88 3.64 -0.99 0.11 116.57 123.20 2x5c h LYS 114 Ca 0.07 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2x5c h LYS 114 Cb 0.32 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 2x5c h LYS 114 CO -0.19 0.04 0.52 0.93 -2.27 0.00 0.00 179.45 178.48 2x5c h GLU 115 N 0.05 0.90 0.00 1.90 5.08 -0.68 -0.33 114.58 121.51 2x5c h GLU 115 Ca 0.12 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2x5c h GLU 115 Cb 0.17 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2x5c h GLU 115 CO -0.22 0.60 -0.89 1.88 -1.00 0.00 0.00 179.01 179.38 2x5c h TYR 116 N 0.93 0.35 -0.18 4.33 0.99 -0.38 -1.01 116.97 121.99 2x5c h TYR 116 Ca 0.38 -0.19 -0.08 0.00 2.00 0.00 0.00 58.73 60.84 2x5c h TYR 116 Cb 0.22 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 37.91 2x5c h TYR 116 CO -0.04 1.01 -0.20 0.93 -0.00 0.00 0.00 178.16 179.86 2x5c h GLU 117 N 0.13 0.46 0.00 4.88 5.08 -0.59 0.14 114.58 124.68 2x5c h GLU 117 Ca -0.05 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2x5c h GLU 117 Cb 1.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2x5c h GLU 117 CO 0.14 0.82 0.00 0.39 -1.00 0.00 0.00 179.01 179.36 2x5c n GLU 118 N -4.46 0.00 0.05 2.33 1.02 -0.15 -2.32 120.64 117.10 2x5c n GLU 118 Ca -0.06 0.33 -0.02 0.00 -0.02 0.00 0.00 57.16 57.40 2x5c n GLU 118 Cb 0.40 -0.81 0.26 0.00 -0.02 0.00 0.00 31.44 31.27 2x5c n GLU 118 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2x5c h GLU 119 N 0.00 0.40 0.00 3.49 5.08 -1.50 -3.07 114.58 118.99 2x5c h GLU 119 Ca 0.00 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2x5c h GLU 119 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2x5c h GLU 119 CO 0.00 0.60 -0.39 0.78 -1.00 0.00 0.00 179.01 179.00 2x5c h GLY 120 N 0.97 0.00 -0.08 -3.84 0.00 -0.73 -3.48 103.07 95.92 2x5c h GLY 120 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2x5c h GLY 120 CO 0.04 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.16 2x5c n GLY 121 N 1.17 0.44 3.71 4.60 0.00 -0.24 -4.91 105.19 109.96 2x5c n GLY 121 Ca 0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2x5c n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x5c s VAL 122 N -1.74 4.72 -0.69 1.61 1.01 -0.13 -4.95 120.40 120.23 2x5c s VAL 122 Ca 0.00 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 63.78 2x5c s VAL 122 Cb 0.00 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.29 2x5c s VAL 122 CO 0.00 0.13 0.69 -0.54 0.00 0.00 0.00 175.10 175.38 2x5c s LYS 123 N 1.15 3.28 0.07 2.72 1.02 -1.26 -4.02 119.74 122.70 2x5c s LYS 123 Ca 0.53 -1.94 -0.18 0.00 0.02 0.00 0.00 55.97 54.39 2x5c s LYS 123 Cb -0.22 -4.39 -0.10 0.00 -0.52 0.00 0.00 37.83 32.59 2x5c s LYS 123 CO 0.27 -1.38 1.43 0.74 -0.92 0.00 0.00 175.35 175.49 2x5c h PHE 124 N 8.50 0.53 -2.71 3.18 0.04 -1.97 -3.43 116.94 121.09 2x5c h PHE 124 Ca -0.11 -0.13 -0.67 0.00 2.80 0.00 0.00 57.97 59.87 2x5c h PHE 124 Cb 1.07 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 39.02 2x5c h PHE 124 CO 0.90 0.74 -0.49 0.00 -0.60 0.00 0.00 178.31 178.86 2x5c s ALA 126 N -1.06 1.33 0.25 0.00 0.00 -1.26 -4.86 121.76 116.16 2x5c s ALA 126 Ca 0.16 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 2x5c s ALA 126 Cb -0.12 -3.13 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 2x5c s ALA 126 CO 0.06 -2.54 1.48 -1.91 0.00 0.00 0.00 175.76 172.84 2x5c n GLU 127 N -3.98 2.24 -0.28 0.00 2.13 -1.26 -0.82 120.64 118.67 2x5c n GLU 127 Ca 0.06 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2x5c n GLU 127 Cb 0.57 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.77 2x5c n GLU 127 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x5c n GLY 128 N 2.32 0.88 0.00 8.31 0.00 -1.26 -5.29 105.19 110.15 2x5c n GLY 128 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2x5c n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86