#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9a n PHE 2 N 0.00 1.10 -1.68 0.00 3.72 -1.26 -4.99 117.46 114.34 1b9a n PHE 2 Ca 0.00 -0.65 -0.43 0.00 -0.05 0.00 0.00 57.45 56.32 1b9a n PHE 2 Cb 0.00 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 1b9a n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b9a n ALA 3 N 0.56 1.92 0.00 4.37 0.00 -1.26 -1.49 120.51 124.61 1b9a n ALA 3 Ca 0.21 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1b9a n ALA 3 Cb 0.78 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1b9a n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9a n GLY 4 N 4.24 2.71 0.56 0.00 0.00 -1.26 -4.86 105.19 106.58 1b9a n GLY 4 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1b9a n GLY 4 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b9a n VAL 5 N -1.72 0.85 -4.83 1.61 0.31 -0.55 -5.02 118.33 108.97 1b9a n VAL 5 Ca 0.00 -0.15 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 1b9a n VAL 5 Cb 0.00 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.07 1b9a n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1b9a s LEU 6 N -6.85 2.40 0.44 7.52 1.43 -0.83 -5.04 118.68 117.76 1b9a s LEU 6 Ca -0.19 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1b9a s LEU 6 Cb 0.07 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 1b9a s LEU 6 CO 0.25 0.27 0.83 0.54 0.23 0.00 0.00 176.35 178.47 1b9a s ASN 7 N -1.24 6.52 0.32 2.29 4.22 -1.26 -4.58 114.94 121.21 1b9a s ASN 7 Ca 0.13 1.23 0.03 0.00 -2.14 0.00 0.00 52.86 52.11 1b9a s ASN 7 Cb -0.10 -2.37 0.55 0.00 1.28 0.00 0.00 41.25 40.61 1b9a s ASN 7 CO 0.03 -0.47 1.85 0.44 -2.04 0.00 0.00 177.10 176.91 1b9a h ASP 8 N 1.05 0.53 0.28 3.54 5.19 -1.98 -2.96 116.42 122.08 1b9a h ASP 8 Ca -0.47 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 1b9a h ASP 8 Cb 1.19 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1b9a h ASP 8 CO 0.63 0.61 -0.28 0.00 -3.12 0.00 0.00 179.24 177.09 1b9a h ALA 9 N 1.45 -0.59 -0.75 3.45 0.00 -1.99 -0.65 119.26 120.18 1b9a h ALA 9 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1b9a h ALA 9 Cb 0.37 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1b9a h ALA 9 CO 0.01 -0.86 0.48 -0.44 0.00 0.00 0.00 179.25 178.44 1b9a h ASP 10 N -0.60 0.87 -0.57 0.00 3.32 -1.85 -1.69 116.42 115.91 1b9a h ASP 10 Ca -0.01 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1b9a h ASP 10 Cb 0.55 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1b9a h ASP 10 CO -0.06 0.64 0.34 0.40 -1.72 0.00 0.00 179.24 178.84 1b9a h ILE 11 N 1.01 1.17 -0.17 0.35 2.04 -1.34 0.14 117.51 120.71 1b9a h ILE 11 Ca 0.27 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1b9a h ILE 11 Cb -0.09 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1b9a h ILE 11 CO -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.26 1b9a h ALA 12 N 1.56 0.24 -0.31 1.87 0.00 -0.36 -2.14 119.26 120.11 1b9a h ALA 12 Ca 0.21 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1b9a h ALA 12 Cb -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1b9a h ALA 12 CO -0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 179.25 178.92 1b9a h ALA 13 N 0.75 0.96 -0.32 0.00 0.00 -0.89 -1.88 119.26 117.87 1b9a h ALA 13 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1b9a h ALA 13 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1b9a h ALA 13 CO 0.01 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.87 1b9a h ALA 14 N 1.17 0.44 -0.55 0.00 0.00 -0.67 -1.73 119.26 117.91 1b9a h ALA 14 Ca 0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1b9a h ALA 14 Cb 0.74 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1b9a h ALA 14 CO 0.06 0.19 0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1b9a h LEU 15 N 0.37 0.89 -0.28 0.00 3.38 -1.36 -3.09 115.31 115.23 1b9a h LEU 15 Ca 0.09 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1b9a h LEU 15 Cb 0.45 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1b9a h LEU 15 CO 0.02 0.94 0.00 -0.08 0.09 0.00 0.00 178.44 179.41 1b9a h GLU 16 N 0.82 0.09 -0.85 1.13 4.22 -1.19 -2.82 114.58 115.97 1b9a h GLU 16 Ca 0.17 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.64 1b9a h GLU 16 Cb 0.43 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1b9a h GLU 16 CO 0.01 0.06 0.54 0.00 -2.18 0.00 0.00 179.01 177.44 1b9a h ALA 17 N 1.24 1.13 -0.94 2.92 0.00 -1.26 -2.58 119.26 119.77 1b9a h ALA 17 Ca 0.13 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 54.37 1b9a h ALA 17 Cb 0.17 -0.28 -0.27 0.00 0.00 0.00 0.00 17.79 17.41 1b9a h ALA 17 CO -0.22 0.36 0.84 0.00 0.00 0.00 0.00 179.25 180.23 1b9a h LYS 19 N 2.04 -0.77 -6.83 0.00 1.63 -1.28 -3.42 116.57 107.94 1b9a h LYS 19 Ca 0.57 0.05 -0.53 0.00 -0.85 0.00 0.00 60.65 59.90 1b9a h LYS 19 Cb 0.75 0.17 0.07 0.00 -0.60 0.00 0.00 32.23 32.63 1b9a h LYS 19 CO 1.49 -0.47 0.72 0.00 -3.45 0.00 0.00 179.45 177.75 1b9a s ALA 20 N -4.90 3.57 0.29 5.00 0.00 -1.26 -4.92 121.76 119.54 1b9a s ALA 20 Ca -0.14 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1b9a s ALA 20 Cb 0.02 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1b9a s ALA 20 CO 0.45 -0.77 1.15 0.00 0.00 0.00 0.00 175.76 176.59 1b9a n ALA 21 N 1.42 0.29 -0.94 0.00 0.00 -1.26 -1.39 120.51 118.63 1b9a n ALA 21 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1b9a n ALA 21 Cb 0.41 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1b9a n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b9a n ASP 22 N 1.30 -1.91 -0.12 0.00 8.00 -1.26 -4.86 116.55 117.69 1b9a n ASP 22 Ca 0.09 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.72 1b9a n ASP 22 Cb 0.32 -0.92 0.36 0.00 -0.02 0.00 0.00 41.12 40.86 1b9a n ASP 22 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1b9a n SER 23 N -0.12 0.71 -4.76 -2.24 3.41 -0.48 -4.92 113.62 105.21 1b9a n SER 23 Ca 0.00 -0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 57.66 1b9a n SER 23 Cb 0.06 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1b9a n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1b9a s PHE 24 N -2.71 3.30 -0.15 7.33 5.36 -1.26 -4.69 117.98 125.15 1b9a s PHE 24 Ca 0.19 1.53 -0.04 0.00 -0.96 0.00 0.00 56.93 57.65 1b9a s PHE 24 Cb 0.19 -3.50 0.07 0.00 -0.34 0.00 0.00 43.02 39.44 1b9a s PHE 24 CO 0.59 -1.28 0.18 1.21 -1.46 0.00 0.00 175.22 174.46 1b9a s ASN 25 N -0.58 1.27 0.37 6.13 3.84 -1.26 -5.00 114.94 119.71 1b9a s ASN 25 Ca 0.48 -0.06 0.05 0.00 0.21 0.00 0.00 52.86 53.54 1b9a s ASN 25 Cb -0.36 0.26 0.74 0.00 -0.55 0.00 0.00 41.25 41.34 1b9a s ASN 25 CO 0.46 -0.30 1.99 1.12 -2.79 0.00 0.00 177.10 177.59 1b9a h HIS 26 N 8.35 0.72 -0.53 0.43 2.07 -1.97 -0.97 115.15 123.25 1b9a h HIS 26 Ca -0.15 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.33 1b9a h HIS 26 Cb 1.14 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.86 1b9a h HIS 26 CO 0.25 0.41 0.09 -0.22 -3.07 0.00 0.00 177.93 175.39 1b9a h LYS 27 N 0.74 0.87 -0.37 5.12 3.64 -1.98 0.22 116.57 124.80 1b9a h LYS 27 Ca 0.26 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1b9a h LYS 27 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1b9a h LYS 27 CO -0.07 0.84 -0.21 0.00 -2.27 0.00 0.00 179.45 177.74 1b9a h ALA 28 N 0.99 0.92 -0.31 5.00 0.00 -1.87 -2.27 119.26 121.73 1b9a h ALA 28 Ca 0.16 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1b9a h ALA 28 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1b9a h ALA 28 CO 0.01 0.62 -0.08 0.35 0.00 0.00 0.00 179.25 180.14 1b9a h PHE 29 N 0.64 0.68 -0.33 0.00 3.04 -0.77 -0.92 116.94 119.28 1b9a h PHE 29 Ca 0.09 -0.15 0.06 0.00 3.98 0.00 0.00 57.97 61.95 1b9a h PHE 29 Cb 0.71 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.00 1b9a h PHE 29 CO 0.03 0.79 -0.01 0.74 -2.02 0.00 0.00 178.31 177.85 1b9a h PHE 30 N 0.37 -0.03 0.02 0.41 -1.00 -0.42 0.42 116.94 116.71 1b9a h PHE 30 Ca 0.08 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 1b9a h PHE 30 Cb 0.58 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1b9a h PHE 30 CO 0.05 -0.06 -0.01 0.00 -1.61 0.00 0.00 178.31 176.68 1b9a h ALA 31 N 1.29 -0.02 -0.69 2.45 0.00 -1.33 -0.75 119.26 120.20 1b9a h ALA 31 Ca 0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1b9a h ALA 31 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1b9a h ALA 31 CO -0.27 -0.37 0.22 -0.22 0.00 0.00 0.00 179.25 178.60 1b9a h LYS 32 N -0.30 1.08 0.00 0.00 1.63 -1.02 -2.70 116.57 115.25 1b9a h LYS 32 Ca -0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1b9a h LYS 32 Cb 0.29 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1b9a h LYS 32 CO 0.00 0.93 0.00 1.55 -3.45 0.00 0.00 179.45 178.48 1b9a n VAL 33 N -4.31 0.66 -0.33 2.00 3.14 0.12 -4.76 118.33 114.85 1b9a n VAL 33 Ca 0.05 0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1b9a n VAL 33 Cb 0.22 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 1b9a n VAL 33 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b9a n GLY 34 N 0.67 0.83 0.20 7.55 0.00 -0.93 -4.68 105.19 108.84 1b9a n GLY 34 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1b9a n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b9a h LEU 35 N 0.00 0.61 -2.63 0.99 3.38 -1.41 -3.21 115.31 113.04 1b9a h LEU 35 Ca 0.00 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1b9a h LEU 35 Cb 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1b9a h LEU 35 CO 0.00 0.68 0.10 0.71 0.09 0.00 0.00 178.44 180.02 1b9a h THR 36 N 0.50 0.12 -0.61 0.22 1.35 -1.83 -1.59 112.91 111.06 1b9a h THR 36 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1b9a h THR 36 Cb 0.32 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1b9a h THR 36 CO 0.00 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 1b9a n SER 37 N -3.22 4.27 -4.91 5.36 3.41 -1.21 -4.99 113.62 112.33 1b9a n SER 37 Ca -0.02 -2.30 -0.27 0.00 -0.26 0.00 0.00 58.87 56.02 1b9a n SER 37 Cb 0.17 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1b9a n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1b9a s LYS 38 N -1.56 3.59 1.02 4.33 -0.14 -0.60 -5.08 119.74 121.30 1b9a s LYS 38 Ca 0.47 0.08 -0.12 0.00 -1.36 0.00 0.00 55.97 55.03 1b9a s LYS 38 Cb 0.28 -2.50 0.20 0.00 -1.68 0.00 0.00 37.83 34.13 1b9a s LYS 38 CO 0.25 -0.01 1.08 -1.54 -0.76 0.00 0.00 175.35 174.37 1b9a s SER 39 N -3.73 2.38 0.37 2.83 1.04 -1.26 -4.77 113.70 110.56 1b9a s SER 39 Ca 0.46 1.37 0.09 0.00 0.48 0.00 0.00 55.95 58.34 1b9a s SER 39 Cb -0.10 -2.06 0.74 0.00 0.10 0.00 0.00 66.02 64.70 1b9a s SER 39 CO 0.37 -3.31 1.89 0.00 0.98 0.00 0.00 173.24 173.17 1b9a h ALA 40 N -2.01 1.46 -0.32 5.32 0.00 -1.98 -0.96 119.26 120.76 1b9a h ALA 40 Ca -0.55 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.00 1b9a h ALA 40 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1b9a h ALA 40 CO 0.55 0.38 -0.35 -0.44 0.00 0.00 0.00 179.25 179.39 1b9a h ASP 41 N 0.23 0.76 0.39 0.00 3.32 -2.00 -2.52 116.42 116.61 1b9a h ASP 41 Ca 0.04 -0.32 -0.22 0.00 0.02 0.00 0.00 57.03 56.56 1b9a h ASP 41 Cb 0.42 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1b9a h ASP 41 CO 0.03 1.03 -0.92 0.44 -1.72 0.00 0.00 179.24 178.10 1b9a h ASP 42 N 0.60 0.47 0.33 6.45 3.32 -1.80 -2.41 116.42 123.37 1b9a h ASP 42 Ca 0.06 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1b9a h ASP 42 Cb 0.88 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1b9a h ASP 42 CO 0.08 1.17 -0.23 0.58 -1.72 0.00 0.00 179.24 179.12 1b9a h VAL 43 N 0.20 0.98 0.03 -1.35 2.07 -1.11 0.02 116.25 117.10 1b9a h VAL 43 Ca -0.07 -0.82 -0.25 0.00 0.82 0.00 0.00 66.70 66.38 1b9a h VAL 43 Cb 1.55 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1b9a h VAL 43 CO 0.15 0.22 -1.26 0.07 0.02 0.00 0.00 177.57 176.78 1b9a h LYS 44 N 0.00 0.06 -0.62 1.57 2.10 -1.39 -2.66 116.57 115.63 1b9a h LYS 44 Ca -0.00 -0.10 -0.08 0.00 -2.00 0.00 0.00 60.65 58.48 1b9a h LYS 44 Cb 0.45 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1b9a h LYS 44 CO 0.03 0.92 0.09 0.87 -2.00 0.00 0.00 179.45 179.36 1b9a h LYS 45 N 0.02 1.03 -0.72 0.07 1.57 -0.88 -1.46 116.57 116.19 1b9a h LYS 45 Ca -0.12 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1b9a h LYS 45 Cb 1.88 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 1b9a h LYS 45 CO 0.13 0.97 0.40 0.00 -0.57 0.00 0.00 179.45 180.38 1b9a h ALA 46 N 1.02 0.92 0.05 3.86 0.00 -1.02 -2.23 119.26 121.85 1b9a h ALA 46 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1b9a h ALA 46 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b9a h ALA 46 CO 0.01 0.42 -0.02 0.35 0.00 0.00 0.00 179.25 180.01 1b9a h PHE 47 N 0.99 -0.06 -0.92 0.00 3.57 -1.14 -1.58 116.94 117.80 1b9a h PHE 47 Ca 0.25 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.93 1b9a h PHE 47 Cb 0.02 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 1b9a h PHE 47 CO -0.00 0.06 0.59 0.00 -2.23 0.00 0.00 178.31 176.73 1b9a h ALA 48 N 0.78 1.99 0.22 2.41 0.00 -1.01 0.18 119.26 123.83 1b9a h ALA 48 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1b9a h ALA 48 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b9a h ALA 48 CO 0.01 -0.28 -0.11 0.82 0.00 0.00 0.00 179.25 179.69 1b9a h ILE 49 N 0.56 0.54 -0.32 0.00 2.04 -1.13 -3.17 117.51 116.03 1b9a h ILE 49 Ca 0.48 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1b9a h ILE 49 Cb 0.98 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1b9a h ILE 49 CO -0.22 0.14 0.21 0.40 0.00 0.00 0.00 178.15 178.68 1b9a h ILE 50 N -0.96 1.06 0.00 -0.67 2.04 -0.91 -1.04 117.51 117.03 1b9a h ILE 50 Ca -0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1b9a h ILE 50 Cb 0.46 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1b9a h ILE 50 CO 0.05 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1b9a n ALA 51 N -2.50 2.03 -0.93 1.87 0.00 0.59 -4.73 120.51 116.84 1b9a n ALA 51 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1b9a n ALA 51 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1b9a n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b9a n GLN 52 N -1.43 0.00 0.00 0.00 6.02 -0.40 -4.68 117.38 116.89 1b9a n GLN 52 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1b9a n GLN 52 Cb 0.23 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.49 1b9a n GLN 52 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1b9a n ASP 53 N 3.13 0.00 -2.30 1.08 5.68 -1.26 -4.91 116.55 117.96 1b9a n ASP 53 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 1b9a n ASP 53 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1b9a n ASP 53 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1b9a n LYS 54 N 0.00 3.35 0.00 0.11 5.02 -1.26 -4.60 118.16 120.78 1b9a n LYS 54 Ca 0.00 -4.11 0.13 0.00 -2.02 0.00 0.00 58.31 52.31 1b9a n LYS 54 Cb 0.00 -2.27 0.48 0.00 -0.02 0.00 0.00 35.03 33.22 1b9a n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1b9a n SER 55 N -0.64 0.26 0.00 4.39 3.41 -1.26 -4.90 113.62 114.87 1b9a n SER 55 Ca 0.46 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1b9a n SER 55 Cb 0.75 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1b9a n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b9a n GLY 56 N 1.46 0.83 3.08 5.00 0.00 -1.26 -5.00 105.19 109.30 1b9a n GLY 56 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1b9a n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b9a s PHE 57 N -3.32 0.41 -0.60 1.61 0.08 -1.26 -4.29 117.98 110.60 1b9a s PHE 57 Ca 0.00 -0.88 -0.19 0.00 0.12 0.00 0.00 56.93 55.98 1b9a s PHE 57 Cb 0.00 -0.30 0.10 0.00 -0.57 0.00 0.00 43.02 42.25 1b9a s PHE 57 CO 0.00 -0.36 0.73 0.42 -0.10 0.00 0.00 175.22 175.91 1b9a s ILE 58 N -3.36 4.78 0.80 0.64 1.01 0.07 -4.81 121.20 120.34 1b9a s ILE 58 Ca 0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 1b9a s ILE 58 Cb 0.04 -4.51 0.07 0.00 0.01 0.00 0.00 42.46 38.07 1b9a s ILE 58 CO -0.08 -1.16 1.09 -1.61 0.00 0.00 0.00 174.94 173.18 1b9a s GLU 59 N 2.78 2.02 0.13 2.79 8.01 -1.26 -1.67 118.70 131.49 1b9a s GLU 59 Ca 0.13 1.03 -0.20 0.00 0.01 0.00 0.00 54.97 55.94 1b9a s GLU 59 Cb -0.23 -1.88 -0.02 0.00 -4.31 0.00 0.00 34.13 27.69 1b9a s GLU 59 CO 0.06 -1.77 1.70 1.49 0.01 0.00 0.00 175.26 176.75 1b9a h GLU 60 N -1.21 -0.00 -0.28 1.61 4.81 -1.97 -0.83 114.58 116.70 1b9a h GLU 60 Ca -0.45 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1b9a h GLU 60 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1b9a h GLU 60 CO 0.53 -0.00 0.20 0.38 -0.73 0.00 0.00 179.01 179.39 1b9a h ASP 61 N -0.00 0.08 -0.19 1.04 2.03 -1.95 -0.07 116.42 117.36 1b9a h ASP 61 Ca 0.10 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.32 1b9a h ASP 61 Cb 0.16 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1b9a h ASP 61 CO -0.22 0.05 -0.20 -0.33 -1.03 0.00 0.00 179.24 177.52 1b9a h GLU 62 N 0.09 0.46 -0.59 4.15 5.08 -1.62 -3.15 114.58 119.00 1b9a h GLU 62 Ca 0.13 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1b9a h GLU 62 Cb 0.41 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1b9a h GLU 62 CO -0.01 0.83 0.24 -0.07 -1.00 0.00 0.00 179.01 178.99 1b9a h LEU 63 N 0.12 0.27 -1.78 1.33 3.38 0.28 -0.59 115.31 118.31 1b9a h LEU 63 Ca 0.03 0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.39 1b9a h LEU 63 Cb 0.75 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 1b9a h LEU 63 CO 0.05 0.17 0.79 0.50 0.09 0.00 0.00 178.44 180.04 1b9a h LYS 64 N 0.44 0.12 -0.72 1.13 3.64 -1.19 0.53 116.57 120.52 1b9a h LYS 64 Ca 0.29 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1b9a h LYS 64 Cb 0.32 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1b9a h LYS 64 CO -0.27 0.08 0.11 1.28 -2.27 0.00 0.00 179.45 178.38 1b9a n LEU 65 N -4.34 5.20 -0.01 5.20 4.77 -0.23 -0.66 117.00 126.93 1b9a n LEU 65 Ca 0.26 -2.67 -0.12 0.00 -0.03 0.00 0.00 56.01 53.45 1b9a n LEU 65 Cb 1.14 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1b9a n LEU 65 CO 0.35 0.64 0.58 0.15 -1.33 0.00 0.00 177.39 177.79 1b9a h PHE 66 N 2.83 -1.21 -0.14 -1.77 3.57 0.08 -2.11 116.94 118.19 1b9a h PHE 66 Ca 0.11 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1b9a h PHE 66 Cb 1.91 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 41.20 1b9a h PHE 66 CO 1.00 -0.47 0.12 -0.07 -2.23 0.00 0.00 178.31 176.66 1b9a h LEU 67 N -0.48 0.00 -1.67 0.59 3.38 -1.83 -2.56 115.31 112.76 1b9a h LEU 67 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1b9a h LEU 67 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1b9a h LEU 67 CO -0.41 0.00 -0.08 1.56 0.09 0.00 0.00 178.44 179.60 1b9a h GLN 68 N 0.00 0.00 0.00 1.13 4.20 -1.55 -2.18 115.11 116.71 1b9a h GLN 68 Ca 0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1b9a h GLN 68 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1b9a h GLN 68 CO -0.00 0.08 -0.29 -0.91 -0.67 0.00 0.00 178.83 177.04 1b9a h ASN 69 N 0.00 0.00 0.11 1.46 2.35 -1.50 -3.05 115.58 114.95 1b9a h ASN 69 Ca -0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 1b9a h ASN 69 Cb 0.47 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.84 1b9a h ASN 69 CO 0.01 0.29 -1.01 -0.26 -1.65 0.00 0.00 177.43 174.80 1b9a h PHE 70 N 0.00 0.43 -3.13 1.19 0.04 -1.57 -3.35 116.94 110.55 1b9a h PHE 70 Ca -0.00 -0.31 -0.44 0.00 2.80 0.00 0.00 57.97 60.02 1b9a h PHE 70 Cb 0.52 -0.02 -0.40 0.00 2.20 0.00 0.00 35.95 38.25 1b9a h PHE 70 CO 0.00 1.39 -0.75 0.21 -0.60 0.00 0.00 178.31 178.57 1b9a s LYS 71 N -2.43 0.04 0.25 1.51 2.20 -1.02 -4.73 119.74 115.57 1b9a s LYS 71 Ca -0.17 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.39 1b9a s LYS 71 Cb 0.02 -1.45 0.39 0.00 -1.51 0.00 0.00 37.83 35.28 1b9a s LYS 71 CO 0.78 -0.57 1.43 0.00 -0.36 0.00 0.00 175.35 176.63 1b9a n ALA 72 N 5.28 0.17 1.46 3.13 0.00 -1.16 -0.23 120.51 129.16 1b9a n ALA 72 Ca -0.06 1.00 0.05 0.00 0.00 0.00 0.00 53.44 54.43 1b9a n ALA 72 Cb 0.49 -0.58 0.18 0.00 0.00 0.00 0.00 19.45 19.54 1b9a n ALA 72 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1b9a n ASP 73 N -5.48 0.96 -4.55 0.00 5.68 -1.26 -4.83 116.55 107.08 1b9a n ASP 73 Ca 0.14 -1.89 -0.31 0.00 -0.50 0.00 0.00 54.79 52.23 1b9a n ASP 73 Cb 0.45 -0.11 0.18 0.00 -1.14 0.00 0.00 41.12 40.50 1b9a n ASP 73 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b9a n ALA 74 N -0.02 -1.83 -1.93 2.12 0.00 0.69 -4.97 120.51 114.57 1b9a n ALA 74 Ca 0.09 -0.74 -0.31 0.00 0.00 0.00 0.00 53.44 52.48 1b9a n ALA 74 Cb 0.17 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 1b9a n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1b9a s ARG 75 N -4.29 3.77 0.52 0.00 1.70 -1.26 -4.76 118.95 114.64 1b9a s ARG 75 Ca 0.64 0.76 -0.16 0.00 -0.47 0.00 0.00 55.73 56.50 1b9a s ARG 75 Cb -0.22 -2.16 -0.07 0.00 -0.57 0.00 0.00 34.95 31.92 1b9a s ARG 75 CO 0.62 -0.35 0.99 0.00 -1.08 0.00 0.00 175.30 175.49 1b9a s ALA 76 N -2.80 3.04 0.80 7.88 0.00 -1.26 -4.56 121.76 124.86 1b9a s ALA 76 Ca 0.56 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1b9a s ALA 76 Cb -0.10 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1b9a s ALA 76 CO 0.41 -0.30 1.09 -0.51 0.00 0.00 0.00 175.76 176.45 1b9a s LEU 77 N -4.14 2.72 0.76 0.00 1.43 0.17 -5.02 118.68 114.60 1b9a s LEU 77 Ca 0.59 1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 1b9a s LEU 77 Cb -0.10 -4.20 0.07 0.00 0.03 0.00 0.00 46.19 41.98 1b9a s LEU 77 CO 0.32 -2.11 1.11 0.42 0.23 0.00 0.00 176.35 176.33 1b9a s THR 78 N -2.99 2.29 0.20 5.49 -4.23 -1.26 -4.82 115.64 110.32 1b9a s THR 78 Ca 0.61 -0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1b9a s THR 78 Cb -0.16 -3.06 0.13 0.00 1.34 0.00 0.00 72.50 70.74 1b9a s THR 78 CO 0.56 -0.08 1.83 -0.78 -0.54 0.00 0.00 174.62 175.61 1b9a h ASP 79 N -0.85 0.84 0.55 3.99 3.58 -1.99 0.78 116.42 123.32 1b9a h ASP 79 Ca -0.45 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 1b9a h ASP 79 Cb 1.32 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1b9a h ASP 79 CO 0.64 0.66 -0.31 1.23 -2.88 0.00 0.00 179.24 178.58 1b9a h GLY 80 N 0.95 -0.85 0.39 -0.78 0.00 -2.00 -1.36 103.07 99.42 1b9a h GLY 80 Ca 0.25 0.34 0.09 0.00 0.00 0.00 0.00 47.33 48.01 1b9a h GLY 80 CO -0.05 -0.31 0.15 0.83 0.00 0.00 0.00 176.54 177.17 1b9a h GLU 81 N -0.80 0.30 -0.72 4.80 5.08 -1.87 -1.67 114.58 119.69 1b9a h GLU 81 Ca -0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1b9a h GLU 81 Cb 0.64 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1b9a h GLU 81 CO 0.08 0.20 0.44 1.15 -1.00 0.00 0.00 179.01 179.89 1b9a h THR 82 N 0.31 1.07 -0.60 1.13 2.02 -0.61 -1.45 112.91 114.77 1b9a h THR 82 Ca 0.27 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1b9a h THR 82 Cb 0.34 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1b9a h THR 82 CO -0.31 0.16 0.01 0.11 0.37 0.00 0.00 175.52 175.86 1b9a h LYS 83 N 0.85 1.05 -0.30 6.66 1.79 -0.73 -0.20 116.57 125.69 1b9a h LYS 83 Ca 0.30 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1b9a h LYS 83 Cb 0.06 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1b9a h LYS 83 CO -0.13 1.02 0.01 1.15 -1.08 0.00 0.00 179.45 180.42 1b9a h THR 84 N 0.96 1.25 0.00 -0.16 2.02 -0.96 0.32 112.91 116.35 1b9a h THR 84 Ca 0.17 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1b9a h THR 84 Cb 0.54 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1b9a h THR 84 CO 0.03 0.30 -0.00 0.15 0.37 0.00 0.00 175.52 176.37 1b9a h PHE 85 N 0.33 -0.00 -0.28 3.16 3.04 -1.16 -2.33 116.94 119.69 1b9a h PHE 85 Ca 0.09 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1b9a h PHE 85 Cb 0.42 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1b9a h PHE 85 CO 0.03 0.04 0.15 1.25 -2.02 0.00 0.00 178.31 177.76 1b9a h LEU 86 N -0.04 0.36 -0.54 0.59 5.85 -0.98 -2.41 115.31 118.14 1b9a h LEU 86 Ca -0.00 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1b9a h LEU 86 Cb 0.04 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 1b9a h LEU 86 CO 0.00 0.36 0.19 0.50 -0.34 0.00 0.00 178.44 179.14 1b9a h LYS 87 N 0.33 0.35 0.00 1.25 3.64 -0.82 0.32 116.57 121.64 1b9a h LYS 87 Ca 0.10 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1b9a h LYS 87 Cb 0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1b9a h LYS 87 CO -0.01 0.23 -0.38 0.00 -2.27 0.00 0.00 179.45 177.02 1b9a h ALA 88 N 1.38 1.22 0.04 5.00 0.00 -1.29 -3.29 119.26 122.31 1b9a h ALA 88 Ca 0.27 -0.35 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 1b9a h ALA 88 Cb 0.32 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1b9a h ALA 88 CO -0.28 0.48 -2.07 0.41 0.00 0.00 0.00 179.25 177.78 1b9a n GLY 89 N -0.22 -0.74 3.14 0.00 0.00 -0.80 -4.67 105.19 101.90 1b9a n GLY 89 Ca -0.01 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1b9a n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b9a n ASP 90 N -3.17 3.45 -0.10 1.61 2.03 0.11 -4.78 116.55 115.69 1b9a n ASP 90 Ca -0.30 -2.77 -0.08 0.00 0.52 0.00 0.00 54.79 52.16 1b9a n ASP 90 Cb 1.06 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1b9a n ASP 90 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1b9a h SER 91 N 7.54 0.31 0.12 1.67 4.64 -1.83 -2.14 113.55 123.85 1b9a h SER 91 Ca 0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1b9a h SER 91 Cb 0.74 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1b9a h SER 91 CO 1.73 0.22 0.00 -0.90 -0.87 0.00 0.00 176.83 177.02 1b9a n ASP 92 N -4.91 0.00 -3.76 4.97 5.68 -1.26 -4.91 116.55 112.37 1b9a n ASP 92 Ca 0.00 -0.52 -0.27 0.00 -0.50 0.00 0.00 54.79 53.51 1b9a n ASP 92 Cb 0.06 -0.08 0.05 0.00 -1.14 0.00 0.00 41.12 40.01 1b9a n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b9a n GLY 93 N 0.47 -0.50 1.28 6.12 0.00 -0.81 -4.88 105.19 106.88 1b9a n GLY 93 Ca 0.15 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.50 1b9a n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b9a n ASP 94 N -2.93 3.78 0.00 1.61 5.75 -1.26 -4.94 116.55 118.55 1b9a n ASP 94 Ca -0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1b9a n ASP 94 Cb 0.55 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1b9a n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b9a n GLY 95 N 1.58 0.81 3.30 6.12 0.00 -1.26 -5.03 105.19 110.71 1b9a n GLY 95 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1b9a n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b9a s LYS 96 N -0.33 1.50 -0.28 1.61 -2.85 -1.26 -4.18 119.74 113.94 1b9a s LYS 96 Ca 0.00 -1.74 0.02 0.00 -1.00 0.00 0.00 55.97 53.25 1b9a s LYS 96 Cb 0.00 0.33 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 1b9a s LYS 96 CO 0.00 -0.55 -0.07 0.42 0.10 0.00 0.00 175.35 175.26 1b9a s ILE 97 N -3.78 2.35 0.83 3.79 1.01 -0.67 -4.52 121.20 120.21 1b9a s ILE 97 Ca 0.37 -1.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.24 1b9a s ILE 97 Cb 0.04 -2.42 0.14 0.00 0.01 0.00 0.00 42.46 40.22 1b9a s ILE 97 CO 0.18 -0.12 1.16 -0.83 0.00 0.00 0.00 174.94 175.33 1b9a s GLY 98 N 1.12 1.74 0.13 6.18 0.00 -1.26 -0.75 107.32 114.48 1b9a s GLY 98 Ca -0.06 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 1b9a s GLY 98 CO -0.05 -0.60 1.66 -0.24 0.00 0.00 0.00 173.10 173.87 1b9a h VAL 99 N -1.07 0.53 -0.77 1.40 3.04 -2.00 -0.65 116.25 116.74 1b9a h VAL 99 Ca -0.43 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.35 1b9a h VAL 99 Cb 1.27 0.53 -0.07 0.00 -2.01 0.00 0.00 31.29 31.02 1b9a h VAL 99 CO 0.47 0.00 0.42 0.44 -1.01 0.00 0.00 177.57 177.89 1b9a h ASP 100 N -0.23 0.60 -0.42 3.17 3.32 -1.97 0.15 116.42 121.04 1b9a h ASP 100 Ca 0.10 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1b9a h ASP 100 Cb 0.37 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1b9a h ASP 100 CO -0.26 0.35 0.18 -0.33 -1.72 0.00 0.00 179.24 177.46 1b9a h GLU 101 N 0.73 0.63 0.21 3.56 5.08 -1.77 -1.11 114.58 121.91 1b9a h GLU 101 Ca 0.37 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1b9a h GLU 101 Cb 0.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1b9a h GLU 101 CO -0.24 0.57 -0.17 2.35 -1.00 0.00 0.00 179.01 180.53 1b9a h TRP 102 N 0.54 -0.43 -0.05 4.33 2.91 0.08 0.39 115.95 123.71 1b9a h TRP 102 Ca 0.14 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.20 1b9a h TRP 102 Cb 0.17 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.93 1b9a h TRP 102 CO -0.00 -0.26 -0.29 1.15 -1.03 0.00 0.00 178.44 178.01 1b9a h THR 103 N -0.39 0.35 -0.14 2.65 2.02 -0.65 -1.30 112.91 115.44 1b9a h THR 103 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1b9a h THR 103 Cb 0.35 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1b9a h THR 103 CO -0.01 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.82 1b9a h ALA 104 N 0.40 0.07 -0.88 6.16 0.00 -0.96 -2.59 119.26 121.46 1b9a h ALA 104 Ca 0.08 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1b9a h ALA 104 Cb 0.52 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1b9a h ALA 104 CO -0.28 -0.50 0.52 1.25 0.00 0.00 0.00 179.25 180.23 1b9a h LEU 105 N -0.04 0.75 -1.92 0.00 5.85 0.10 0.10 115.31 120.15 1b9a h LEU 105 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1b9a h LEU 105 Cb 0.15 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1b9a h LEU 105 CO -0.17 0.42 0.00 0.58 -0.34 0.00 0.00 178.44 178.93 1b9a h VAL 106 N 0.85 0.00 0.00 1.05 2.07 -0.87 -2.49 116.25 116.87 1b9a h VAL 106 Ca 0.43 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1b9a h VAL 106 Cb 0.40 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1b9a h VAL 106 CO -0.26 0.00 -1.01 0.29 0.02 0.00 0.00 177.57 176.61 1b9a n LYS 107 N -3.05 0.38 0.00 1.57 4.01 0.28 -4.66 118.16 116.69 1b9a n LYS 107 Ca -0.01 0.03 0.13 0.00 -0.51 0.00 0.00 58.31 57.95 1b9a n LYS 107 Cb 0.23 -1.65 0.80 0.00 -0.51 0.00 0.00 35.03 33.89 1b9a n LYS 107 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29