#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8c n PHE 2 N 0.00 1.17 -1.48 0.00 3.01 -1.25 -4.95 117.46 113.96 1b8c n PHE 2 Ca 0.00 -0.55 -0.47 0.00 1.01 0.00 0.00 57.45 57.44 1b8c n PHE 2 Cb 0.00 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 39.29 1b8c n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b8c n ALA 3 N 1.33 1.07 0.00 4.37 0.00 -1.26 -0.43 120.51 125.58 1b8c n ALA 3 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1b8c n ALA 3 Cb 0.73 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1b8c n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8c n GLY 4 N 6.37 0.39 0.08 0.00 0.00 -1.26 -4.90 105.19 105.86 1b8c n GLY 4 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1b8c n GLY 4 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b8c n VAL 5 N -1.71 0.91 -4.40 1.61 0.31 0.43 -5.02 118.33 110.45 1b8c n VAL 5 Ca 0.00 -0.41 -0.21 0.00 -0.01 0.00 0.00 64.34 63.70 1b8c n VAL 5 Cb 0.00 -0.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 1b8c n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1b8c s LEU 6 N -5.62 2.56 0.35 7.52 1.43 -1.03 -5.12 118.68 118.78 1b8c s LEU 6 Ca -0.17 -1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 51.65 1b8c s LEU 6 Cb 0.05 -0.88 -0.09 0.00 0.03 0.00 0.00 46.19 45.30 1b8c s LEU 6 CO 0.42 -0.07 1.17 0.20 0.23 0.00 0.00 176.35 178.31 1b8c s ASN 7 N -3.35 6.82 0.28 2.29 -0.87 -1.26 -4.81 114.94 114.03 1b8c s ASN 7 Ca 0.25 2.38 0.01 0.00 -1.57 0.00 0.00 52.86 53.94 1b8c s ASN 7 Cb -0.03 -2.62 0.39 0.00 -0.02 0.00 0.00 41.25 38.97 1b8c s ASN 7 CO 0.10 -0.47 1.74 -0.78 -2.57 0.00 0.00 177.10 175.12 1b8c h ASP 8 N 3.15 0.59 -0.32 -1.22 3.58 -1.97 -0.82 116.42 119.40 1b8c h ASP 8 Ca -0.48 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 56.82 1b8c h ASP 8 Cb 1.22 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 1b8c h ASP 8 CO 0.64 0.76 0.16 0.00 -2.88 0.00 0.00 179.24 177.93 1b8c h ALA 9 N 1.29 0.39 -0.04 -0.78 0.00 -1.99 -0.77 119.26 117.37 1b8c h ALA 9 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b8c h ALA 9 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1b8c h ALA 9 CO 0.04 -0.21 0.02 -0.44 0.00 0.00 0.00 179.25 178.65 1b8c h ASP 10 N 0.34 0.05 -0.48 0.00 3.32 -1.77 -1.29 116.42 116.58 1b8c h ASP 10 Ca 0.13 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1b8c h ASP 10 Cb 0.04 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1b8c h ASP 10 CO -0.09 0.11 0.30 0.40 -1.72 0.00 0.00 179.24 178.24 1b8c h ILE 11 N -0.02 1.07 -0.38 0.35 2.04 -1.08 0.78 117.51 120.27 1b8c h ILE 11 Ca 0.01 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1b8c h ILE 11 Cb 0.08 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1b8c h ILE 11 CO -0.00 0.11 -0.09 0.00 0.00 0.00 0.00 178.15 178.17 1b8c h ALA 12 N 1.20 1.13 -0.05 1.87 0.00 -1.03 -2.43 119.26 119.96 1b8c h ALA 12 Ca 0.19 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1b8c h ALA 12 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1b8c h ALA 12 CO -0.07 0.55 -0.73 0.00 0.00 0.00 0.00 179.25 178.99 1b8c h ALA 13 N 1.30 0.65 -0.52 0.00 0.00 -0.74 -0.93 119.26 119.03 1b8c h ALA 13 Ca 0.11 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1b8c h ALA 13 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1b8c h ALA 13 CO 0.03 0.80 0.06 0.00 0.00 0.00 0.00 179.25 180.14 1b8c h ALA 14 N 1.03 0.69 -0.46 0.00 0.00 -0.65 -2.41 119.26 117.46 1b8c h ALA 14 Ca -0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1b8c h ALA 14 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1b8c h ALA 14 CO 0.12 0.44 -0.21 -0.07 0.00 0.00 0.00 179.25 179.53 1b8c h LEU 15 N 0.75 0.98 -1.04 0.00 3.38 -1.42 -2.94 115.31 115.01 1b8c h LEU 15 Ca 0.15 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1b8c h LEU 15 Cb 0.43 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1b8c h LEU 15 CO 0.01 1.16 0.63 -0.08 0.09 0.00 0.00 178.44 180.26 1b8c h GLU 16 N 0.80 0.98 0.00 1.13 4.57 -1.00 -1.92 114.58 119.13 1b8c h GLU 16 Ca 0.10 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1b8c h GLU 16 Cb 0.79 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1b8c h GLU 16 CO 0.07 0.65 -0.19 0.00 -1.18 0.00 0.00 179.01 178.35 1b8c h ALA 17 N 1.53 1.07 -0.11 2.92 0.00 -1.25 -3.05 119.26 120.37 1b8c h ALA 17 Ca 0.48 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1b8c h ALA 17 Cb 0.43 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1b8c h ALA 17 CO -0.24 0.24 -0.59 0.00 0.00 0.00 0.00 179.25 178.66 1b8c h LYS 19 N 1.19 0.00 -6.14 0.00 1.79 -1.31 -3.43 116.57 108.66 1b8c h LYS 19 Ca 0.03 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.95 1b8c h LYS 19 Cb 1.14 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.75 1b8c h LYS 19 CO 0.12 0.15 0.10 0.00 -1.08 0.00 0.00 179.45 178.74 1b8c s ALA 20 N -3.59 3.37 0.24 3.86 0.00 -1.26 -4.99 121.76 119.38 1b8c s ALA 20 Ca 0.01 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1b8c s ALA 20 Cb 0.09 -2.94 -0.15 0.00 0.00 0.00 0.00 23.12 20.12 1b8c s ALA 20 CO 0.62 -0.00 1.01 0.00 0.00 0.00 0.00 175.76 177.38 1b8c n ALA 21 N 3.27 -0.76 -0.99 0.00 0.00 -1.26 -1.68 120.51 119.09 1b8c n ALA 21 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1b8c n ALA 21 Cb 0.51 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1b8c n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b8c n ASP 22 N 1.59 -4.06 -1.06 0.00 8.00 -1.26 -4.87 116.55 114.90 1b8c n ASP 22 Ca 0.13 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.74 1b8c n ASP 22 Cb 0.28 -1.78 0.25 0.00 -0.02 0.00 0.00 41.12 39.85 1b8c n ASP 22 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1b8c n SER 23 N -0.41 3.16 -4.81 -2.24 3.41 -0.68 -4.98 113.62 107.08 1b8c n SER 23 Ca 0.00 -1.95 -0.37 0.00 -0.26 0.00 0.00 58.87 56.29 1b8c n SER 23 Cb 0.21 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 1b8c n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1b8c s PHE 24 N -1.51 3.70 -0.09 7.33 5.36 -1.26 -4.70 117.98 126.81 1b8c s PHE 24 Ca 0.38 1.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.78 1b8c s PHE 24 Cb 0.22 -2.67 0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1b8c s PHE 24 CO 0.31 0.36 0.17 1.21 -1.46 0.00 0.00 175.22 175.80 1b8c s ASN 25 N -1.55 0.74 0.24 6.13 3.84 -1.26 -4.99 114.94 118.09 1b8c s ASN 25 Ca 0.42 0.34 -0.01 0.00 0.21 0.00 0.00 52.86 53.82 1b8c s ASN 25 Cb -0.18 0.30 0.29 0.00 -0.55 0.00 0.00 41.25 41.11 1b8c s ASN 25 CO 0.22 -0.25 1.66 1.12 -2.79 0.00 0.00 177.10 177.06 1b8c h HIS 26 N 8.36 0.69 -0.51 0.43 2.07 -1.97 0.17 115.15 124.38 1b8c h HIS 26 Ca -0.13 -0.16 -0.07 0.00 -2.85 0.00 0.00 60.37 57.15 1b8c h HIS 26 Cb 1.12 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 30.92 1b8c h HIS 26 CO 0.42 0.82 0.03 -0.22 -3.07 0.00 0.00 177.93 175.90 1b8c h LYS 27 N 0.52 0.89 0.08 5.12 3.64 -1.97 0.62 116.57 125.47 1b8c h LYS 27 Ca 0.07 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1b8c h LYS 27 Cb 0.74 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1b8c h LYS 27 CO 0.06 0.90 -0.08 0.00 -2.27 0.00 0.00 179.45 178.05 1b8c h ALA 28 N 0.95 -0.16 -0.58 5.00 0.00 -1.91 -2.80 119.26 119.78 1b8c h ALA 28 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1b8c h ALA 28 Cb 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1b8c h ALA 28 CO 0.02 -0.60 0.28 0.35 0.00 0.00 0.00 179.25 179.29 1b8c h PHE 29 N -0.18 0.83 -0.15 0.00 3.57 -0.73 -1.85 116.94 118.42 1b8c h PHE 29 Ca 0.01 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1b8c h PHE 29 Cb 0.18 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1b8c h PHE 29 CO -0.11 0.64 -0.17 0.74 -2.23 0.00 0.00 178.31 177.18 1b8c h PHE 30 N 0.78 0.26 0.08 0.41 0.04 -0.85 0.17 116.94 117.82 1b8c h PHE 30 Ca 0.20 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.83 1b8c h PHE 30 Cb 0.12 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.21 1b8c h PHE 30 CO -0.00 0.41 -0.47 0.00 -0.60 0.00 0.00 178.31 177.65 1b8c h ALA 31 N 1.60 -0.05 -0.63 2.45 0.00 -1.23 0.54 119.26 121.95 1b8c h ALA 31 Ca 0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1b8c h ALA 31 Cb 0.44 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1b8c h ALA 31 CO 0.03 0.22 0.24 -0.22 0.00 0.00 0.00 179.25 179.51 1b8c h LYS 32 N -0.61 0.95 0.00 0.00 1.63 -1.25 -2.12 116.57 115.18 1b8c h LYS 32 Ca -0.08 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1b8c h LYS 32 Cb 1.35 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1b8c h LYS 32 CO 0.09 0.82 0.00 -0.24 -3.45 0.00 0.00 179.45 176.66 1b8c h VAL 33 N 0.89 0.00 0.00 2.00 3.04 -0.78 -3.44 116.25 117.96 1b8c h VAL 33 Ca 0.21 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1b8c h VAL 33 Cb 0.23 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1b8c h VAL 33 CO -0.01 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.16 1b8c n GLY 34 N 0.27 0.87 0.10 3.17 0.00 -0.80 -4.53 105.19 104.26 1b8c n GLY 34 Ca 0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1b8c n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b8c h LEU 35 N 0.00 0.27 -2.05 0.99 3.38 -0.17 -3.37 115.31 114.37 1b8c h LEU 35 Ca 0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1b8c h LEU 35 Cb 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1b8c h LEU 35 CO 0.00 1.33 -0.07 0.74 0.09 0.00 0.00 178.44 180.53 1b8c h THR 36 N 0.05 0.78 -0.01 0.22 2.02 -1.54 -2.27 112.91 112.17 1b8c h THR 36 Ca -0.22 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1b8c h THR 36 Cb 1.98 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1b8c h THR 36 CO 0.14 0.07 -0.56 -1.54 0.37 0.00 0.00 175.52 174.00 1b8c n SER 37 N -4.07 1.15 -4.85 4.18 3.41 -1.26 -4.82 113.62 107.36 1b8c n SER 37 Ca -0.03 -0.92 -0.32 0.00 -0.26 0.00 0.00 58.87 57.34 1b8c n SER 37 Cb 0.16 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1b8c n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1b8c s LYS 38 N -2.74 3.77 0.69 4.33 -0.14 -0.86 -5.03 119.74 119.77 1b8c s LYS 38 Ca 0.16 0.91 -0.17 0.00 -1.36 0.00 0.00 55.97 55.51 1b8c s LYS 38 Cb 0.18 -2.11 0.02 0.00 -1.68 0.00 0.00 37.83 34.24 1b8c s LYS 38 CO 0.66 -0.42 1.26 -1.54 -0.76 0.00 0.00 175.35 174.55 1b8c s SER 39 N -3.41 4.32 0.28 2.83 1.04 -1.26 -4.72 113.70 112.78 1b8c s SER 39 Ca 0.58 2.52 0.01 0.00 0.48 0.00 0.00 55.95 59.54 1b8c s SER 39 Cb -0.11 -2.61 0.55 0.00 0.10 0.00 0.00 66.02 63.96 1b8c s SER 39 CO 0.39 -2.19 1.82 0.00 0.98 0.00 0.00 173.24 174.25 1b8c h ALA 40 N 0.10 1.47 -0.50 5.32 0.00 -1.96 0.47 119.26 124.15 1b8c h ALA 40 Ca -0.49 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1b8c h ALA 40 Cb 1.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1b8c h ALA 40 CO 0.51 0.16 0.30 -0.44 0.00 0.00 0.00 179.25 179.78 1b8c h ASP 41 N 0.92 0.49 0.56 0.00 3.32 -1.99 0.36 116.42 120.07 1b8c h ASP 41 Ca 0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.49 1b8c h ASP 41 Cb 0.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1b8c h ASP 41 CO -0.28 0.35 -0.28 0.44 -1.72 0.00 0.00 179.24 177.74 1b8c h ASP 42 N 0.60 0.00 0.20 6.45 3.32 -1.08 -2.13 116.42 123.78 1b8c h ASP 42 Ca 0.20 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 1b8c h ASP 42 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1b8c h ASP 42 CO -0.09 0.28 -0.79 0.58 -1.72 0.00 0.00 179.24 177.50 1b8c h VAL 43 N 0.00 1.36 -0.30 -1.35 2.07 0.12 -2.66 116.25 115.49 1b8c h VAL 43 Ca -0.00 -2.18 -0.09 0.00 0.82 0.00 0.00 66.70 65.25 1b8c h VAL 43 Cb 0.64 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1b8c h VAL 43 CO 0.04 0.66 -0.19 0.11 0.02 0.00 0.00 177.57 178.21 1b8c h LYS 44 N 0.32 0.56 -0.70 1.57 1.57 -0.01 -2.41 116.57 117.46 1b8c h LYS 44 Ca -0.05 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1b8c h LYS 44 Cb 1.39 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 1b8c h LYS 44 CO 0.14 0.72 0.45 0.87 -0.57 0.00 0.00 179.45 181.06 1b8c h LYS 45 N 0.50 0.92 -0.51 3.15 1.57 -1.29 -2.31 116.57 118.60 1b8c h LYS 45 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1b8c h LYS 45 Cb 0.61 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1b8c h LYS 45 CO 0.04 0.62 0.27 0.00 -0.57 0.00 0.00 179.45 179.82 1b8c h ALA 46 N 1.24 1.52 -0.49 3.86 0.00 -1.14 -2.03 119.26 122.22 1b8c h ALA 46 Ca 0.25 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1b8c h ALA 46 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1b8c h ALA 46 CO -0.05 0.40 0.08 0.35 0.00 0.00 0.00 179.25 180.03 1b8c h PHE 47 N 0.71 0.86 -0.28 0.00 3.57 -0.95 -2.28 116.94 118.57 1b8c h PHE 47 Ca 0.18 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1b8c h PHE 47 Cb 0.03 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1b8c h PHE 47 CO 0.00 0.79 -0.17 0.00 -2.23 0.00 0.00 178.31 176.71 1b8c h ALA 48 N 0.97 1.20 -0.44 2.41 0.00 -0.89 0.35 119.26 122.85 1b8c h ALA 48 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1b8c h ALA 48 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1b8c h ALA 48 CO 0.01 0.51 0.15 0.82 0.00 0.00 0.00 179.25 180.74 1b8c h ILE 49 N 0.44 1.22 -0.03 0.00 2.04 -1.26 0.95 117.51 120.87 1b8c h ILE 49 Ca 0.08 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1b8c h ILE 49 Cb 0.55 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1b8c h ILE 49 CO 0.04 0.25 -0.10 0.40 0.00 0.00 0.00 178.15 178.74 1b8c h ILE 50 N 0.58 1.49 -0.01 -0.67 2.04 -0.95 -3.22 117.51 116.76 1b8c h ILE 50 Ca 0.14 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1b8c h ILE 50 Cb 0.24 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1b8c h ILE 50 CO -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 178.15 178.55 1b8c n ALA 51 N -2.45 2.65 -0.51 1.87 0.00 0.12 -4.90 120.51 117.29 1b8c n ALA 51 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1b8c n ALA 51 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1b8c n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b8c n GLN 52 N -0.44 0.00 0.00 0.00 1.13 0.31 -4.69 117.38 113.69 1b8c n GLN 52 Ca 0.20 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1b8c n GLN 52 Cb 0.25 -3.00 0.00 0.00 0.11 0.00 0.00 30.24 27.60 1b8c n GLN 52 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1b8c n ASP 53 N 0.00 0.00 0.34 1.08 2.03 0.04 -4.87 116.55 115.17 1b8c n ASP 53 Ca 0.00 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.52 1b8c n ASP 53 Cb 0.00 0.00 1.14 0.00 -0.72 0.00 0.00 41.12 41.54 1b8c n ASP 53 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1b8c h LYS 54 N 0.00 0.00 -0.01 -0.67 6.56 -1.88 -0.17 116.57 120.40 1b8c h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1b8c h LYS 54 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1b8c h LYS 54 CO 0.00 0.00 -0.71 -1.13 -2.06 0.00 0.00 179.45 175.55 1b8c n SER 55 N -3.08 1.46 -3.58 0.86 3.41 -1.26 -4.68 113.62 106.75 1b8c n SER 55 Ca -0.03 -1.20 -0.25 0.00 -0.26 0.00 0.00 58.87 57.13 1b8c n SER 55 Cb 0.13 0.69 0.18 0.00 -0.26 0.00 0.00 64.21 64.95 1b8c n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b8c n GLY 56 N 1.46 -1.57 3.02 5.00 0.00 -0.08 -5.00 105.19 108.02 1b8c n GLY 56 Ca 0.07 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1b8c n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8c s PHE 57 N -3.38 0.45 -0.43 1.61 0.40 -1.26 -4.39 117.98 110.99 1b8c s PHE 57 Ca 0.63 -0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 56.22 1b8c s PHE 57 Cb -0.02 -0.29 0.02 0.00 0.51 0.00 0.00 43.02 43.24 1b8c s PHE 57 CO 0.45 -0.16 0.51 0.42 0.70 0.00 0.00 175.22 177.14 1b8c s ILE 58 N -1.64 4.99 0.35 0.64 1.01 0.20 -4.89 121.20 121.87 1b8c s ILE 58 Ca -0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1b8c s ILE 58 Cb -0.08 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1b8c s ILE 58 CO -0.01 -0.49 0.56 -1.61 0.00 0.00 0.00 174.94 173.39 1b8c s GLU 59 N 2.38 3.49 0.10 2.79 2.02 -1.26 -1.04 118.70 127.18 1b8c s GLU 59 Ca 0.16 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 1b8c s GLU 59 Cb -0.16 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 1b8c s GLU 59 CO 0.15 0.13 0.91 -1.91 0.02 0.00 0.00 175.26 174.56 1b8c n GLU 60 N -1.78 -0.23 0.25 1.61 2.13 -1.26 0.11 120.64 121.47 1b8c n GLU 60 Ca -0.04 0.89 0.13 0.00 0.66 0.00 0.00 57.16 58.80 1b8c n GLU 60 Cb 0.56 -1.31 0.66 0.00 0.27 0.00 0.00 31.44 31.62 1b8c n GLU 60 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1b8c h ASP 61 N 0.00 0.00 0.35 4.31 3.32 -1.99 -0.96 116.42 121.45 1b8c h ASP 61 Ca 0.12 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.84 1b8c h ASP 61 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1b8c h ASP 61 CO -0.56 0.14 -1.58 -0.33 -1.72 0.00 0.00 179.24 175.19 1b8c h GLU 62 N 0.00 0.35 -0.52 3.56 5.08 0.37 -3.24 114.58 120.17 1b8c h GLU 62 Ca -0.00 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 1b8c h GLU 62 Cb 0.47 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1b8c h GLU 62 CO 0.02 1.24 0.19 1.25 -1.00 0.00 0.00 179.01 180.71 1b8c h LEU 63 N 0.09 0.69 -1.58 1.33 5.85 -0.22 -1.02 115.31 120.45 1b8c h LEU 63 Ca -0.27 -0.09 0.22 0.00 0.84 0.00 0.00 57.88 58.58 1b8c h LEU 63 Cb 2.07 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.85 1b8c h LEU 63 CO 0.19 0.64 0.62 0.50 -0.34 0.00 0.00 178.44 180.05 1b8c h LYS 64 N 0.75 0.32 -0.62 1.25 3.64 -1.21 -1.11 116.57 119.58 1b8c h LYS 64 Ca 0.18 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1b8c h LYS 64 Cb 0.17 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 1b8c h LYS 64 CO -0.01 0.21 0.15 1.28 -2.27 0.00 0.00 179.45 178.81 1b8c n LEU 65 N -4.48 5.67 -0.34 5.20 4.77 -0.40 -0.11 117.00 127.31 1b8c n LEU 65 Ca 0.20 -3.16 0.10 0.00 -0.03 0.00 0.00 56.01 53.12 1b8c n LEU 65 Cb 0.77 -0.70 0.29 0.00 -2.33 0.00 0.00 43.42 41.45 1b8c n LEU 65 CO 0.31 0.77 1.22 0.15 -1.33 0.00 0.00 177.39 178.52 1b8c h PHE 66 N 2.83 1.05 0.00 -1.77 3.57 -1.10 -1.55 116.94 119.97 1b8c h PHE 66 Ca 0.17 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1b8c h PHE 66 Cb 2.12 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1b8c h PHE 66 CO 1.14 0.37 -0.25 -0.07 -2.23 0.00 0.00 178.31 177.26 1b8c h LEU 67 N 0.87 0.00 0.00 0.59 4.07 -1.84 -2.74 115.31 116.26 1b8c h LEU 67 Ca 0.51 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.47 1b8c h LEU 67 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1b8c h LEU 67 CO -0.28 0.25 0.00 0.00 -1.08 0.00 0.00 178.44 177.34 1b8c n GLN 68 N -3.67 0.42 0.21 1.13 6.02 -0.58 -1.48 117.38 119.43 1b8c n GLN 68 Ca -0.01 0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.12 1b8c n GLN 68 Cb 0.37 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.48 1b8c n GLN 68 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1b8c h ASN 69 N 0.00 0.00 0.01 1.08 4.21 -1.61 -3.28 115.58 115.99 1b8c h ASN 69 Ca 0.00 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 1b8c h ASN 69 Cb 0.18 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.32 1b8c h ASN 69 CO 0.00 0.25 -2.42 0.49 -1.29 0.00 0.00 177.43 174.46 1b8c n PHE 70 N -3.30 0.02 -3.61 1.19 3.01 -0.55 0.15 117.46 114.37 1b8c n PHE 70 Ca 0.01 0.01 -0.19 0.00 1.01 0.00 0.00 57.45 58.29 1b8c n PHE 70 Cb 0.50 -1.00 -0.15 0.00 -0.01 0.00 0.00 39.48 38.82 1b8c n PHE 70 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1b8c s LYS 71 N -2.50 0.08 0.28 -1.08 2.47 -1.01 -4.27 119.74 113.71 1b8c s LYS 71 Ca -0.21 0.37 0.01 0.00 -1.56 0.00 0.00 55.97 54.57 1b8c s LYS 71 Cb 0.07 -0.77 0.64 0.00 -1.46 0.00 0.00 37.83 36.31 1b8c s LYS 71 CO 0.73 -0.46 1.69 0.00 0.16 0.00 0.00 175.35 177.46 1b8c h ALA 72 N 8.36 1.26 -0.68 3.13 0.00 -1.85 -0.30 119.26 129.18 1b8c h ALA 72 Ca -0.14 0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 1b8c h ALA 72 Cb 1.13 0.19 -0.20 0.00 0.00 0.00 0.00 17.79 18.92 1b8c h ALA 72 CO 0.20 -0.35 0.29 -0.40 0.00 0.00 0.00 179.25 178.99 1b8c n ASP 73 N -5.10 3.33 -4.73 0.00 5.68 -1.26 -4.74 116.55 109.73 1b8c n ASP 73 Ca 0.19 -3.62 -0.30 0.00 -0.50 0.00 0.00 54.79 50.56 1b8c n ASP 73 Cb 0.59 -0.74 0.12 0.00 -1.14 0.00 0.00 41.12 39.96 1b8c n ASP 73 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b8c s ALA 74 N -3.23 1.82 0.57 2.12 0.00 -0.12 -4.98 121.76 117.93 1b8c s ALA 74 Ca 0.51 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 1b8c s ALA 74 Cb 0.44 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1b8c s ALA 74 CO 0.06 -2.15 1.14 -0.98 0.00 0.00 0.00 175.76 173.83 1b8c s ARG 75 N -4.89 3.19 0.47 0.00 1.70 -1.26 -4.68 118.95 113.48 1b8c s ARG 75 Ca 0.63 1.59 -0.22 0.00 -0.47 0.00 0.00 55.73 57.26 1b8c s ARG 75 Cb -0.18 -1.98 -0.08 0.00 -0.57 0.00 0.00 34.95 32.14 1b8c s ARG 75 CO 0.57 -0.98 1.10 0.00 -1.08 0.00 0.00 175.30 174.91 1b8c s ALA 76 N -1.87 2.91 0.44 7.88 0.00 -1.26 -4.59 121.76 125.27 1b8c s ALA 76 Ca 0.72 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 53.24 1b8c s ALA 76 Cb -0.24 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1b8c s ALA 76 CO 0.31 -0.50 1.00 -0.51 0.00 0.00 0.00 175.76 176.06 1b8c s LEU 77 N -3.24 3.96 1.01 0.00 1.43 0.85 -5.02 118.68 117.67 1b8c s LEU 77 Ca 0.65 1.85 -0.14 0.00 -1.03 0.00 0.00 54.13 55.46 1b8c s LEU 77 Cb -0.23 -4.46 0.20 0.00 0.03 0.00 0.00 46.19 41.73 1b8c s LEU 77 CO 0.27 -0.54 1.13 0.42 0.23 0.00 0.00 176.35 177.87 1b8c s THR 78 N -1.98 1.91 0.39 5.49 -4.23 -1.26 -4.83 115.64 111.13 1b8c s THR 78 Ca 0.63 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.30 1b8c s THR 78 Cb -0.15 -2.62 0.16 0.00 1.34 0.00 0.00 72.50 71.24 1b8c s THR 78 CO 0.19 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 176.63 1b8c h ASP 79 N -1.90 0.00 0.04 3.99 3.32 -1.99 -2.40 116.42 117.48 1b8c h ASP 79 Ca -0.51 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 1b8c h ASP 79 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1b8c h ASP 79 CO 0.53 0.26 -0.02 1.23 -1.72 0.00 0.00 179.24 179.52 1b8c h GLY 80 N 0.93 -0.05 0.51 2.75 0.00 -1.99 -1.60 103.07 103.61 1b8c h GLY 80 Ca -0.00 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.44 1b8c h GLY 80 CO 0.03 -0.02 0.43 0.83 0.00 0.00 0.00 176.54 177.81 1b8c h GLU 81 N -0.52 0.70 -0.42 4.80 5.08 -1.92 -1.88 114.58 120.42 1b8c h GLU 81 Ca -0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1b8c h GLU 81 Cb 0.47 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1b8c h GLU 81 CO 0.01 0.46 -0.12 1.15 -1.00 0.00 0.00 179.01 179.52 1b8c h THR 82 N 0.72 1.27 -0.42 1.13 2.02 -1.40 -0.64 112.91 115.60 1b8c h THR 82 Ca 0.38 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1b8c h THR 82 Cb 0.36 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1b8c h THR 82 CO -0.25 0.41 -0.09 0.11 0.37 0.00 0.00 175.52 176.07 1b8c h LYS 83 N 0.65 0.73 -0.19 6.66 1.79 -1.14 -0.04 116.57 125.02 1b8c h LYS 83 Ca 0.11 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 1b8c h LYS 83 Cb 0.65 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1b8c h LYS 83 CO 0.04 0.81 -0.06 1.15 -1.08 0.00 0.00 179.45 180.31 1b8c h THR 84 N 0.67 1.29 0.33 -0.16 2.02 -1.15 -2.43 112.91 113.48 1b8c h THR 84 Ca 0.12 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1b8c h THR 84 Cb 0.55 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1b8c h THR 84 CO 0.03 0.32 -0.34 0.15 0.37 0.00 0.00 175.52 176.05 1b8c h PHE 85 N 0.09 -0.90 -0.92 3.16 3.04 -1.00 -1.61 116.94 118.79 1b8c h PHE 85 Ca 0.05 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1b8c h PHE 85 Cb 0.51 0.35 -0.05 0.00 2.56 0.00 0.00 35.95 39.32 1b8c h PHE 85 CO 0.05 -0.47 0.60 1.25 -2.02 0.00 0.00 178.31 177.72 1b8c h LEU 86 N -0.69 1.02 -0.15 0.59 5.85 -1.04 -1.44 115.31 119.44 1b8c h LEU 86 Ca -0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1b8c h LEU 86 Cb 0.63 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1b8c h LEU 86 CO -0.07 0.71 0.03 0.50 -0.34 0.00 0.00 178.44 179.28 1b8c h LYS 87 N 1.19 0.25 -0.77 1.25 3.64 -1.33 0.37 116.57 121.18 1b8c h LYS 87 Ca 0.35 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 1b8c h LYS 87 Cb -0.06 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1b8c h LYS 87 CO -0.10 0.41 0.47 0.00 -2.27 0.00 0.00 179.45 177.97 1b8c h ALA 88 N 0.82 1.02 0.20 5.00 0.00 -1.07 -3.28 119.26 121.95 1b8c h ALA 88 Ca 0.05 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 1b8c h ALA 88 Cb 0.28 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1b8c h ALA 88 CO 0.00 0.23 -1.43 0.78 0.00 0.00 0.00 179.25 178.83 1b8c h GLY 89 N 0.89 0.47 -6.73 0.00 0.00 -1.07 -3.42 103.07 93.22 1b8c h GLY 89 Ca 0.32 -1.21 -0.68 0.00 0.00 0.00 0.00 47.33 45.77 1b8c h GLY 89 CO -0.14 1.06 2.65 1.34 0.00 0.00 0.00 176.54 181.45 1b8c n ASP 90 N -3.62 4.06 -0.01 0.19 2.03 0.10 -4.61 116.55 114.70 1b8c n ASP 90 Ca -0.15 -2.84 -0.10 0.00 0.52 0.00 0.00 54.79 52.22 1b8c n ASP 90 Cb 1.07 -1.64 0.05 0.00 -0.72 0.00 0.00 41.12 39.87 1b8c n ASP 90 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1b8c h SER 91 N 6.88 0.66 0.06 1.67 0.02 -1.85 -2.93 113.55 118.06 1b8c h SER 91 Ca 0.50 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1b8c h SER 91 Cb 0.73 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1b8c h SER 91 CO 1.72 1.07 0.00 -0.90 -1.14 0.00 0.00 176.83 177.58 1b8c n ASP 92 N -3.97 0.00 0.00 3.07 5.68 -1.26 -4.90 116.55 115.17 1b8c n ASP 92 Ca -0.03 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1b8c n ASP 92 Cb 0.60 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1b8c n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b8c n GLY 93 N 0.99 0.58 0.00 6.12 0.00 -1.11 -4.89 105.19 106.89 1b8c n GLY 93 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1b8c n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b8c n ASP 94 N -0.11 0.00 0.00 1.61 5.68 -1.26 -4.82 116.55 117.64 1b8c n ASP 94 Ca 0.00 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1b8c n ASP 94 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1b8c n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b8c n GLY 95 N 0.37 0.83 3.27 6.12 0.00 -1.26 -5.00 105.19 109.52 1b8c n GLY 95 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1b8c n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8c s LYS 96 N -0.10 1.62 -0.30 1.61 -2.85 -1.26 -4.60 119.74 113.85 1b8c s LYS 96 Ca 0.00 -1.91 -0.01 0.00 -1.00 0.00 0.00 55.97 53.04 1b8c s LYS 96 Cb 0.00 0.32 0.05 0.00 -2.06 0.00 0.00 37.83 36.14 1b8c s LYS 96 CO 0.00 -0.59 -0.00 0.42 0.10 0.00 0.00 175.35 175.28 1b8c s ILE 97 N -3.62 2.90 0.67 3.79 1.01 -0.20 -4.63 121.20 121.11 1b8c s ILE 97 Ca 0.40 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1b8c s ILE 97 Cb 0.03 -2.69 0.13 0.00 0.01 0.00 0.00 42.46 39.94 1b8c s ILE 97 CO 0.24 -0.13 0.91 0.61 0.00 0.00 0.00 174.94 176.57 1b8c n GLY 98 N 4.59 0.84 0.29 6.18 0.00 -1.26 0.62 105.19 116.45 1b8c n GLY 98 Ca -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 1b8c n GLY 98 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b8c h VAL 99 N -0.50 1.22 -0.10 1.61 3.04 -1.84 0.48 116.25 120.17 1b8c h VAL 99 Ca -0.30 -0.83 -0.04 0.00 -1.01 0.00 0.00 66.70 64.52 1b8c h VAL 99 Cb 1.15 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1b8c h VAL 99 CO 0.34 0.30 -0.09 0.44 -1.01 0.00 0.00 177.57 177.55 1b8c h ASP 100 N 0.70 0.25 -0.50 3.17 3.32 -1.95 -1.14 116.42 120.26 1b8c h ASP 100 Ca 0.15 -0.48 0.10 0.00 0.02 0.00 0.00 57.03 56.83 1b8c h ASP 100 Cb 0.32 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.71 1b8c h ASP 100 CO 0.00 0.67 -0.16 0.44 -1.72 0.00 0.00 179.24 178.47 1b8c h ASP 101 N -0.17 -0.59 0.38 6.45 3.32 -1.78 -2.28 116.42 121.75 1b8c h ASP 101 Ca 0.02 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1b8c h ASP 101 Cb 0.60 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1b8c h ASP 101 CO 0.02 -0.20 -0.18 -0.25 -1.72 0.00 0.00 179.24 176.91 1b8c h TRP 102 N -0.05 -0.47 -0.47 4.55 2.91 -0.81 -2.11 115.95 119.50 1b8c h TRP 102 Ca 0.24 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.28 1b8c h TRP 102 Cb 0.41 0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.18 1b8c h TRP 102 CO -0.46 -0.27 0.26 1.15 -1.03 0.00 0.00 178.44 178.10 1b8c h THR 103 N -0.55 1.01 -0.35 2.65 2.02 -1.06 0.31 112.91 116.93 1b8c h THR 103 Ca -0.05 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1b8c h THR 103 Cb 0.41 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1b8c h THR 103 CO 0.09 0.09 0.12 0.00 0.37 0.00 0.00 175.52 176.19 1b8c h ALA 104 N 1.23 0.46 -0.52 6.16 0.00 -1.44 -2.20 119.26 122.96 1b8c h ALA 104 Ca 0.20 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1b8c h ALA 104 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1b8c h ALA 104 CO -0.12 0.08 -0.14 1.25 0.00 0.00 0.00 179.25 180.32 1b8c h LEU 105 N 0.41 1.00 -0.78 0.00 5.85 -0.96 -2.32 115.31 118.52 1b8c h LEU 105 Ca 0.11 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 1b8c h LEU 105 Cb 0.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1b8c h LEU 105 CO -0.01 1.13 -0.08 0.58 -0.34 0.00 0.00 178.44 179.72 1b8c h VAL 106 N 0.88 1.26 -0.30 1.05 2.07 -0.31 -2.84 116.25 118.06 1b8c h VAL 106 Ca 0.13 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1b8c h VAL 106 Cb 0.70 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1b8c h VAL 106 CO 0.05 0.40 0.00 0.29 0.02 0.00 0.00 177.57 178.33 1b8c n LYS 107 N -4.17 1.77 0.00 1.57 4.76 -0.84 -4.53 118.16 116.72 1b8c n LYS 107 Ca 0.02 -1.10 0.16 0.00 -2.87 0.00 0.00 58.31 54.52 1b8c n LYS 107 Cb 0.36 -1.28 0.91 0.00 -1.84 0.00 0.00 35.03 33.17 1b8c n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03