#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gio n SER 35 N 0.00 1.45 -3.90 1.20 7.64 -1.26 -4.77 113.62 113.99 3gio n SER 35 Ca 0.00 -1.56 -0.25 0.00 1.01 0.00 0.00 58.87 58.07 3gio n SER 35 Cb 0.00 -0.04 -0.17 0.00 -1.01 0.00 0.00 64.21 62.99 3gio n SER 35 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gio s PHE 36 N -1.92 1.26 0.55 1.43 0.08 -1.26 -5.15 117.98 112.98 3gio s PHE 36 Ca 0.36 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3gio s PHE 36 Cb 0.19 -1.07 0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3gio s PHE 36 CO 0.30 -0.41 0.77 -0.51 -0.10 0.00 0.00 175.22 175.28 3gio s LEU 37 N 1.51 3.28 0.16 -0.37 1.43 -1.26 -5.13 118.68 118.29 3gio s LEU 37 Ca 0.00 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3gio s LEU 37 Cb -0.13 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 3gio s LEU 37 CO -0.05 -1.18 -0.09 -1.10 0.23 0.00 0.00 176.35 174.16 3gio s GLN 38 N -4.75 1.09 -1.20 1.70 -1.52 -1.26 -4.87 119.66 108.86 3gio s GLN 38 Ca 0.58 -1.48 -0.26 0.00 -1.95 0.00 0.00 55.36 52.26 3gio s GLN 38 Cb -0.10 -0.63 0.02 0.00 -0.22 0.00 0.00 33.01 32.08 3gio s GLN 38 CO 0.38 0.06 0.71 -0.25 -0.25 0.00 0.00 175.29 175.94 3gio n ASP 39 N -0.22 -4.40 -4.43 5.90 8.00 -1.26 -4.95 116.55 115.19 3gio n ASP 39 Ca -0.10 -1.15 -0.36 0.00 0.71 0.00 0.00 54.79 53.89 3gio n ASP 39 Cb 0.61 -2.57 -0.13 0.00 -0.02 0.00 0.00 41.12 39.01 3gio n ASP 39 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gio s VAL 40 N -3.54 4.17 0.68 2.53 -7.23 -1.26 -5.08 120.40 110.67 3gio s VAL 40 Ca 0.45 -0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.23 3gio s VAL 40 Cb -0.20 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.80 3gio s VAL 40 CO 0.92 0.35 1.17 -0.81 -0.31 0.00 0.00 175.10 176.42 3gio n PRO 41 N 4.88 0.80 -0.18 4.82 -0.04 -1.26 -4.92 135.00 139.10 3gio n PRO 41 Ca -0.16 0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 3gio n PRO 41 Cb 0.51 -2.40 0.08 0.00 -0.04 0.00 0.00 33.50 31.65 3gio n PRO 41 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3gio h TYR 42 N 0.12 0.38 0.00 0.54 5.03 -2.06 -3.32 116.97 117.66 3gio h TYR 42 Ca -0.49 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.84 3gio h TYR 42 Cb 1.34 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.53 3gio h TYR 42 CO 0.41 0.13 0.41 -2.67 -1.32 0.00 0.00 178.16 175.12 3gio n TRP 43 N -4.97 0.00 -0.76 -3.82 4.27 -1.26 -4.80 117.44 106.10 3gio n TRP 43 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 3gio n TRP 43 Cb 0.21 -0.36 0.00 0.00 -1.36 0.00 0.00 31.31 29.81 3gio n TRP 43 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gio n LEU 45 N 2.74 0.00 -4.67 5.67 4.32 -1.25 -4.94 117.00 118.87 3gio n LEU 45 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 3gio n LEU 45 Cb 0.00 -1.14 -0.03 0.00 -1.62 0.00 0.00 43.42 40.63 3gio n LEU 45 CO 0.20 0.00 1.43 -1.58 -1.22 0.00 0.00 177.39 176.23 3gio s GLN 46 N -2.99 4.17 -0.24 3.23 0.74 -1.26 -4.97 119.66 118.34 3gio s GLN 46 Ca 0.00 2.39 0.00 0.00 0.05 0.00 0.00 55.36 57.80 3gio s GLN 46 Cb 0.00 -3.89 0.07 0.00 1.10 0.00 0.00 33.01 30.28 3gio s GLN 46 CO 0.00 -0.85 -0.02 1.21 -0.55 0.00 0.00 175.29 175.08 3gio s ASN 47 N 3.34 3.81 0.52 6.67 3.84 -1.26 -4.99 114.94 126.86 3gio s ASN 47 Ca 0.79 -1.23 0.25 0.00 0.21 0.00 0.00 52.86 52.87 3gio s ASN 47 Cb -0.39 -1.11 1.42 0.00 -0.55 0.00 0.00 41.25 40.62 3gio s ASN 47 CO 0.34 -0.27 2.09 0.03 -2.79 0.00 0.00 177.10 176.51 3gio h ARG 48 N 7.98 0.00 -3.42 0.43 -0.00 -2.05 -3.33 114.38 113.99 3gio h ARG 48 Ca -0.16 0.00 -0.71 0.00 -0.50 0.00 0.00 59.98 58.61 3gio h ARG 48 Cb 1.07 0.00 -0.35 0.00 0.00 0.00 0.00 29.97 30.69 3gio h ARG 48 CO 0.41 0.11 -0.18 -1.54 0.00 0.00 0.00 179.97 178.77 3gio s SER 49 N -6.38 5.76 0.13 7.04 1.04 -1.26 -5.05 113.70 114.99 3gio s SER 49 Ca -0.04 -3.38 0.05 0.00 0.48 0.00 0.00 55.95 53.06 3gio s SER 49 Cb 0.14 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 3gio s SER 49 CO 0.60 -0.26 -0.11 -0.70 0.98 0.00 0.00 173.24 173.75 3gio s GLU 50 N -0.85 1.00 0.28 4.02 2.12 -1.25 -5.12 118.70 118.90 3gio s GLU 50 Ca 0.23 -1.33 -0.30 0.00 0.36 0.00 0.00 54.97 53.94 3gio s GLU 50 Cb -0.12 -0.67 -0.11 0.00 0.26 0.00 0.00 34.13 33.49 3gio s GLU 50 CO -0.09 0.10 1.58 0.71 -0.54 0.00 0.00 175.26 177.02 3gio s TYR 51 N -2.82 2.79 0.20 5.30 2.02 -1.26 -4.87 117.35 118.71 3gio s TYR 51 Ca 0.12 0.79 0.25 0.00 -0.37 0.00 0.00 57.07 57.87 3gio s TYR 51 Cb -0.01 -4.04 1.08 0.00 -0.40 0.00 0.00 41.96 38.59 3gio s TYR 51 CO 0.01 -3.51 1.90 0.82 -1.57 0.00 0.00 175.55 173.20 3gio h ILE 52 N 3.43 0.52 -0.02 2.71 1.08 -1.96 -2.73 117.51 120.54 3gio h ILE 52 Ca -0.47 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3gio h ILE 52 Cb 1.22 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 3gio h ILE 52 CO 0.80 0.19 0.00 0.35 -0.69 0.00 0.00 178.15 178.79 3gio n THR 53 N -3.42 0.02 -4.13 -0.27 -2.24 -1.26 -4.65 114.28 98.34 3gio n THR 53 Ca -0.00 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 3gio n THR 53 Cb 0.38 -0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.26 3gio n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gio s GLN 54 N -1.98 0.57 0.13 -0.78 -2.07 -1.03 -0.82 119.66 113.67 3gio s GLN 54 Ca 0.35 -0.64 -0.11 0.00 -1.82 0.00 0.00 55.36 53.15 3gio s GLN 54 Cb 0.17 -0.43 0.01 0.00 -1.09 0.00 0.00 33.01 31.67 3gio s GLN 54 CO 0.28 0.09 0.29 0.20 -1.32 0.00 0.00 175.29 174.83 3gio s GLY 55 N -1.20 0.10 -0.01 2.60 0.00 -1.00 -4.76 107.32 103.05 3gio s GLY 55 Ca -0.05 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.20 3gio s GLY 55 CO 0.00 -0.66 -0.20 0.14 0.00 0.00 0.00 173.10 172.38 3gio s VAL 56 N -3.88 1.60 0.29 1.40 1.01 -1.26 -2.29 120.40 117.27 3gio s VAL 56 Ca 0.08 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3gio s VAL 56 Cb 0.03 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3gio s VAL 56 CO -0.08 0.43 0.65 -0.62 0.00 0.00 0.00 175.10 175.48 3gio s ASP 57 N -0.55 -0.10 0.27 3.32 3.68 -1.03 -4.77 116.67 117.49 3gio s ASP 57 Ca 0.08 -0.84 0.04 0.00 2.13 0.00 0.00 52.55 53.96 3gio s ASP 57 Cb -0.08 0.71 -0.01 0.00 -1.45 0.00 0.00 42.92 42.09 3gio s ASP 57 CO -0.01 -1.35 0.14 -1.54 0.13 0.00 0.00 175.17 172.55 3gio n SER 58 N -0.65 0.55 -3.64 -0.34 3.41 -1.26 0.00 113.62 111.69 3gio n SER 58 Ca -0.04 -2.56 -0.15 0.00 -0.26 0.00 0.00 58.87 55.86 3gio n SER 58 Cb 0.60 0.90 -0.08 0.00 -0.26 0.00 0.00 64.21 65.38 3gio n SER 58 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gio s SER 59 N -2.74 -0.52 -0.07 4.04 0.15 0.35 -4.40 113.70 110.51 3gio s SER 59 Ca 0.20 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.44 3gio s SER 59 Cb 0.01 0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 64.99 3gio s SER 59 CO 0.14 -0.42 0.34 -1.00 1.20 0.00 0.00 173.24 173.50 3gio s HIS 60 N -0.68 3.63 -0.81 3.44 3.76 -1.26 -0.90 115.29 122.47 3gio s HIS 60 Ca -0.08 0.82 -0.21 0.00 -0.15 0.00 0.00 55.06 55.44 3gio s HIS 60 Cb -0.03 -2.26 0.10 0.00 1.11 0.00 0.00 32.58 31.50 3gio s HIS 60 CO 0.05 0.53 1.08 0.42 -0.85 0.00 0.00 174.74 175.98 3gio s ILE 61 N -0.59 4.48 1.25 0.60 1.01 -1.14 -4.99 121.20 121.82 3gio s ILE 61 Ca 0.21 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 3gio s ILE 61 Cb -0.15 -4.76 0.32 0.00 0.01 0.00 0.00 42.46 37.88 3gio s ILE 61 CO 0.09 -1.52 0.97 1.33 0.00 0.00 0.00 174.94 175.81 3gio n VAL 62 N 5.80 0.00 0.00 2.92 0.24 -1.26 -5.01 118.33 121.02 3gio n VAL 62 Ca 0.12 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3gio n VAL 62 Cb 0.48 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3gio n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3gio n ASP 63 N -5.10 0.00 -4.25 -1.34 -0.08 -1.26 -4.21 116.55 100.31 3gio n ASP 63 Ca 0.14 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.34 3gio n ASP 63 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.97 3gio n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gio n GLY 64 N 0.33 -0.20 3.62 0.27 0.00 -1.26 -4.75 105.19 103.19 3gio n GLY 64 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3gio n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gio s LYS 65 N 6.64 0.67 0.48 1.61 1.02 -1.26 -5.15 119.74 123.74 3gio s LYS 65 Ca 0.40 1.24 -0.24 0.00 0.02 0.00 0.00 55.97 57.39 3gio s LYS 65 Cb -0.02 0.24 -0.07 0.00 -0.52 0.00 0.00 37.83 37.46 3gio s LYS 65 CO 0.10 -0.16 1.32 -1.59 -0.92 0.00 0.00 175.35 174.10 3gio s LYS 66 N 1.82 3.56 0.40 1.68 -2.85 -1.26 -4.91 119.74 118.17 3gio s LYS 66 Ca -0.09 2.17 0.15 0.00 -1.00 0.00 0.00 55.97 57.20 3gio s LYS 66 Cb -0.06 -2.48 0.86 0.00 -2.06 0.00 0.00 37.83 34.08 3gio s LYS 66 CO -0.19 -0.83 1.88 1.15 0.10 0.00 0.00 175.35 177.45 3gio h THR 67 N 1.94 1.13 0.27 3.79 2.02 -1.99 -2.86 112.91 117.21 3gio h THR 67 Ca -0.50 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 3gio h THR 67 Cb 1.27 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 3gio h THR 67 CO 0.60 0.30 -0.20 -0.08 0.37 0.00 0.00 175.52 176.51 3gio h GLU 68 N 0.00 -0.46 -0.50 6.66 4.81 -2.00 -2.00 114.58 121.09 3gio h GLU 68 Ca -0.00 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3gio h GLU 68 Cb 0.57 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 3gio h GLU 68 CO 0.04 -0.31 0.20 1.49 -0.73 0.00 0.00 179.01 179.71 3gio h GLU 69 N -0.48 0.39 -0.32 1.92 4.81 -1.90 -0.34 114.58 118.66 3gio h GLU 69 Ca -0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3gio h GLU 69 Cb 0.41 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3gio h GLU 69 CO 0.00 0.26 0.18 0.82 -0.73 0.00 0.00 179.01 179.53 3gio h ILE 70 N 0.40 1.02 -0.31 2.32 1.08 -1.33 -0.56 117.51 120.13 3gio h ILE 70 Ca 0.24 -0.13 -0.07 0.00 -0.39 0.00 0.00 64.86 64.51 3gio h ILE 70 Cb 0.22 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3gio h ILE 70 CO -0.22 0.07 -0.09 -0.33 -0.69 0.00 0.00 178.15 176.89 3gio h GLU 71 N 0.37 0.51 -0.20 2.37 5.08 -1.05 -1.00 114.58 120.66 3gio h GLU 71 Ca 0.13 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3gio h GLU 71 Cb 0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3gio h GLU 71 CO -0.07 0.61 -0.00 0.87 -1.00 0.00 0.00 179.01 179.41 3gio h LYS 72 N 0.48 0.06 0.85 2.33 1.79 -0.14 0.10 116.57 122.04 3gio h LYS 72 Ca 0.09 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3gio h LYS 72 Cb 0.45 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3gio h LYS 72 CO 0.02 0.04 -0.41 0.82 -1.08 0.00 0.00 179.45 178.85 3gio h ILE 73 N 0.06 0.14 -0.60 1.86 1.08 -0.46 -0.91 117.51 118.68 3gio h ILE 73 Ca 0.09 -0.05 0.12 0.00 -0.39 0.00 0.00 64.86 64.64 3gio h ILE 73 Cb 0.12 0.15 -0.10 0.00 -3.07 0.00 0.00 36.82 33.92 3gio h ILE 73 CO -0.16 0.00 0.02 0.00 -0.69 0.00 0.00 178.15 177.32 3gio h ALA 74 N -1.05 0.60 -0.68 1.87 0.00 -1.10 0.35 119.26 119.26 3gio h ALA 74 Ca -0.12 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gio h ALA 74 Cb 0.88 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3gio h ALA 74 CO 0.19 -0.38 0.45 1.15 0.00 0.00 0.00 179.25 180.66 3gio h THR 75 N 0.14 1.08 -0.12 0.00 2.02 -0.66 0.22 112.91 115.59 3gio h THR 75 Ca 0.31 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3gio h THR 75 Cb 0.50 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3gio h THR 75 CO -0.49 0.15 -0.22 0.50 0.37 0.00 0.00 175.52 175.82 3gio h LYS 76 N 0.80 0.36 -0.92 6.66 3.64 0.10 -2.24 116.57 124.96 3gio h LYS 76 Ca 0.28 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3gio h LYS 76 Cb 0.10 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3gio h LYS 76 CO -0.08 0.82 0.61 0.00 -2.27 0.00 0.00 179.45 178.53 3gio h ARG 77 N -0.07 1.15 -0.83 1.90 3.08 -0.12 -0.46 114.38 119.03 3gio h ARG 77 Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3gio h ARG 77 Cb 0.80 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 3gio h ARG 77 CO 0.05 0.76 0.41 0.00 -1.07 0.00 0.00 179.97 180.12 3gio h ALA 78 N 1.45 1.06 -0.01 0.04 0.00 -0.89 -0.32 119.26 120.61 3gio h ALA 78 Ca 0.36 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3gio h ALA 78 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3gio h ALA 78 CO -0.10 0.61 -0.37 1.15 0.00 0.00 0.00 179.25 180.54 3gio h THR 79 N 1.17 1.27 -0.19 0.00 2.02 -0.64 -1.99 112.91 114.54 3gio h THR 79 Ca 0.29 -1.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.01 3gio h THR 79 Cb 0.09 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3gio h THR 79 CO -0.04 0.36 -0.64 0.40 0.37 0.00 0.00 175.52 175.98 3gio h ILE 80 N 0.01 1.31 0.00 3.11 2.04 -0.26 -2.63 117.51 121.09 3gio h ILE 80 Ca -0.00 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 3gio h ILE 80 Cb 0.65 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3gio h ILE 80 CO 0.05 0.59 -0.03 0.03 0.00 0.00 0.00 178.15 178.79 3gio h ARG 81 N 0.50 0.00 -0.10 2.37 -0.00 -0.37 0.95 114.38 117.73 3gio h ARG 81 Ca -0.01 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.41 3gio h ARG 81 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.20 3gio h ARG 81 CO 0.13 0.03 -0.17 0.28 0.00 0.00 0.00 179.97 180.23 3gio h VAL 82 N 0.00 1.39 -0.49 2.04 2.07 -1.08 -2.13 116.25 118.05 3gio h VAL 82 Ca -0.00 -1.43 0.07 0.00 0.82 0.00 0.00 66.70 66.16 3gio h VAL 82 Cb 0.06 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3gio h VAL 82 CO 0.00 0.41 0.14 0.00 0.02 0.00 0.00 177.57 178.14 3gio h ALA 83 N 0.53 0.57 -0.62 1.67 0.00 -0.89 -1.28 119.26 119.25 3gio h ALA 83 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gio h ALA 83 Cb 0.75 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3gio h ALA 83 CO 0.04 -0.26 0.38 1.96 0.00 0.00 0.00 179.25 181.37 3gio h GLN 84 N 0.29 0.84 -0.63 0.00 4.20 -0.81 -1.29 115.11 117.71 3gio h GLN 84 Ca 0.24 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3gio h GLN 84 Cb 0.28 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3gio h GLN 84 CO -0.27 0.58 0.11 -0.91 -0.67 0.00 0.00 178.83 177.66 3gio h ASN 85 N 0.85 0.97 -0.07 1.46 2.35 -0.56 -1.61 115.58 118.97 3gio h ASN 85 Ca 0.23 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3gio h ASN 85 Cb -0.04 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.07 3gio h ASN 85 CO -0.04 0.97 0.01 0.40 -1.65 0.00 0.00 177.43 177.11 3gio h ILE 86 N 0.96 1.23 -0.57 2.81 2.04 -0.58 -2.26 117.51 121.15 3gio h ILE 86 Ca 0.19 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.45 3gio h ILE 86 Cb 0.41 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 3gio h ILE 86 CO 0.01 0.20 0.14 0.58 0.00 0.00 0.00 178.15 179.08 3gio h VAL 87 N -0.14 0.70 -0.32 1.67 2.07 -1.12 -0.20 116.25 118.91 3gio h VAL 87 Ca 0.02 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3gio h VAL 87 Cb 0.30 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3gio h VAL 87 CO 0.00 0.05 0.15 0.45 0.02 0.00 0.00 177.57 178.24 3gio h HIS 88 N 0.29 0.28 -0.83 1.57 3.86 -1.19 -0.52 115.15 118.60 3gio h HIS 88 Ca 0.29 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 3gio h HIS 88 Cb 0.40 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.74 3gio h HIS 88 CO -0.22 0.15 0.54 -0.22 0.86 0.00 0.00 177.93 179.04 3gio h LYS 89 N 0.32 0.87 -0.42 2.45 1.63 -0.70 -1.71 116.57 119.00 3gio h LYS 89 Ca 0.14 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 3gio h LYS 89 Cb 0.06 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 3gio h LYS 89 CO -0.10 0.57 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.20 3gio h LEU 90 N 0.89 0.85 0.18 5.20 3.38 0.02 -1.81 115.31 124.02 3gio h LEU 90 Ca 0.36 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gio h LEU 90 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3gio h LEU 90 CO -0.13 1.03 -0.12 0.11 0.09 0.00 0.00 178.44 179.41 3gio h LYS 91 N 0.73 -0.29 -0.94 1.13 1.57 -0.25 0.14 116.57 118.66 3gio h LYS 91 Ca 0.10 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.03 3gio h LYS 91 Cb 0.73 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.03 3gio h LYS 91 CO 0.06 -0.19 0.60 0.93 -0.57 0.00 0.00 179.45 180.27 3gio h GLU 92 N -0.30 0.81 -0.36 3.15 5.08 -1.33 0.34 114.58 121.97 3gio h GLU 92 Ca -0.01 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3gio h GLU 92 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3gio h GLU 92 CO 0.01 0.54 -0.03 0.00 -1.00 0.00 0.00 179.01 178.52 3gio h ALA 93 N 1.57 0.49 -0.26 3.43 0.00 -0.76 0.71 119.26 124.45 3gio h ALA 93 Ca 0.47 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3gio h ALA 93 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gio h ALA 93 CO -0.23 0.29 -0.20 -0.92 0.00 0.00 0.00 179.25 178.19 3gio h TYR 94 N 0.47 0.52 0.00 0.00 3.20 0.55 -2.59 116.97 119.13 3gio h TYR 94 Ca 0.10 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3gio h TYR 94 Cb 0.51 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3gio h TYR 94 CO 0.04 0.65 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.94 3gio h LEU 95 N 0.43 0.00 -9.87 2.82 4.07 -0.16 -3.44 115.31 109.16 3gio h LEU 95 Ca 0.07 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.46 3gio h LEU 95 Cb 0.60 0.00 0.16 0.00 1.08 0.00 0.00 40.66 42.50 3gio h LEU 95 CO 0.04 0.20 0.17 -0.24 -1.08 0.00 0.00 178.44 177.54 3gio n SER 96 N -3.17 0.93 0.27 -0.43 2.88 0.22 -4.89 113.62 109.44 3gio n SER 96 Ca 0.03 0.81 0.13 0.00 -1.33 0.00 0.00 58.87 58.50 3gio n SER 96 Cb 0.59 -1.41 0.77 0.00 -0.75 0.00 0.00 64.21 63.40 3gio n SER 96 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3gio h LYS 97 N 0.49 0.00 -0.10 -1.46 3.64 -1.89 -1.75 116.57 115.50 3gio h LYS 97 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3gio h LYS 97 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3gio h LYS 97 CO 0.51 0.08 0.00 0.25 -2.27 0.00 0.00 179.45 178.02 3gio n THR 98 N -3.82 0.12 -1.75 1.00 -2.24 -1.26 -4.93 114.28 101.39 3gio n THR 98 Ca -0.02 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3gio n THR 98 Cb 0.18 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 3gio n THR 98 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gio s ASN 99 N -1.70 6.37 -0.00 3.42 2.47 -0.66 -4.91 114.94 119.92 3gio s ASN 99 Ca 0.34 2.92 0.12 0.00 0.42 0.00 0.00 52.86 56.66 3gio s ASN 99 Cb 0.18 -2.62 -0.14 0.00 -1.45 0.00 0.00 41.25 37.22 3gio s ASN 99 CO 0.28 -0.95 0.44 0.54 -3.72 0.00 0.00 177.10 173.70 3gio n ARG 100 N 2.98 2.57 -1.81 0.43 1.74 -1.26 -4.96 116.66 116.36 3gio n ARG 100 Ca 0.12 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 3gio n ARG 100 Cb 0.36 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 3gio n ARG 100 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gio s ILE 101 N -2.25 3.26 -0.15 0.55 1.01 -1.26 -4.88 121.20 117.48 3gio s ILE 101 Ca 0.03 0.29 0.16 0.00 0.00 0.00 0.00 60.65 61.13 3gio s ILE 101 Cb 0.09 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3gio s ILE 101 CO 0.48 -0.10 1.17 0.11 0.00 0.00 0.00 174.94 176.60 3gio h LYS 102 N 11.93 0.00 -6.94 2.79 1.79 -1.97 -3.47 116.57 120.71 3gio h LYS 102 Ca -0.41 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.53 3gio h LYS 102 Cb 1.21 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.93 3gio h LYS 102 CO 0.97 0.38 0.59 -1.14 -1.08 0.00 0.00 179.45 179.18 3gio s GLN 103 N -2.97 4.04 -0.35 3.15 0.74 -1.26 -4.95 119.66 118.06 3gio s GLN 103 Ca 0.01 2.10 -0.29 0.00 0.05 0.00 0.00 55.36 57.23 3gio s GLN 103 Cb 0.08 -2.79 0.01 0.00 1.10 0.00 0.00 33.01 31.42 3gio s GLN 103 CO 0.77 -0.42 1.24 0.21 -0.55 0.00 0.00 175.29 176.55 3gio s LYS 104 N -2.18 3.87 -0.22 1.67 2.20 -1.26 -5.00 119.74 118.81 3gio s LYS 104 Ca 0.56 1.05 -0.06 0.00 -0.36 0.00 0.00 55.97 57.16 3gio s LYS 104 Cb -0.37 -3.87 -0.02 0.00 -1.51 0.00 0.00 37.83 32.05 3gio s LYS 104 CO 0.47 -1.18 0.02 0.42 -0.36 0.00 0.00 175.35 174.72 3gio s ILE 105 N 4.38 3.99 0.60 5.43 -1.09 -1.26 -5.10 121.20 128.14 3gio s ILE 105 Ca 0.53 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.62 3gio s ILE 105 Cb -0.14 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3gio s ILE 105 CO 0.24 0.40 0.88 0.42 -1.23 0.00 0.00 174.94 175.65 3gio s THR 106 N 1.28 3.16 0.29 2.92 -4.23 -1.26 -4.94 115.64 112.86 3gio s THR 106 Ca 0.04 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 3gio s THR 106 Cb -0.15 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.55 3gio s THR 106 CO 0.01 -0.24 1.78 -1.13 -0.54 0.00 0.00 174.62 174.50 3gio h ASN 107 N -0.18 0.60 0.00 3.99 -1.24 -2.05 -1.39 115.58 115.31 3gio h ASN 107 Ca -0.45 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.41 3gio h ASN 107 Cb 1.28 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.17 3gio h ASN 107 CO 0.59 0.72 0.00 -0.62 -1.29 0.00 0.00 177.43 176.83 3gio n GLU 108 N -4.21 0.13 0.00 6.67 4.71 -1.26 -1.41 120.64 125.27 3gio n GLU 108 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 3gio n GLU 108 Cb 0.32 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 3gio n GLU 108 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3gio n PHE 110 N 0.77 0.00 -0.19 -0.32 3.72 -0.53 -1.37 117.46 119.54 3gio n PHE 110 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3gio n PHE 110 Cb 0.05 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 3gio n PHE 110 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3gio h ILE 111 N 0.00 1.26 0.00 4.37 2.04 -1.51 -3.28 117.51 120.39 3gio h ILE 111 Ca 0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3gio h ILE 111 Cb 0.00 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3gio h ILE 111 CO 0.00 0.37 0.01 0.00 0.00 0.00 0.00 178.15 178.53 3gio n GLN 112 N -4.31 0.00 0.00 2.37 6.02 -0.47 -4.42 117.38 116.57 3gio n GLN 112 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3gio n GLN 112 Cb 0.29 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.14 3gio n GLN 112 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3gio n THR 114 N 1.93 0.00 0.53 5.09 -1.04 -1.24 -4.31 114.28 115.25 3gio n THR 114 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 3gio n THR 114 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 3gio n THR 114 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3gio h GLN 115 N 0.00 -1.30 -0.01 -2.82 -0.00 -1.93 0.34 115.11 109.39 3gio h GLN 115 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 3gio h GLN 115 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 27.48 27.78 3gio h GLN 115 CO 0.00 -0.87 0.00 -1.00 0.00 0.00 0.00 178.83 176.97 3gio h PRO 116 N -1.35 0.00 -0.16 -2.39 0.13 -1.92 0.30 132.00 126.62 3gio h PRO 116 Ca -0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 3gio h PRO 116 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gio h PRO 116 CO 0.23 0.00 -0.17 0.82 -0.23 0.00 0.00 178.00 178.64 3gio h ILE 117 N 0.00 1.35 -0.57 -3.56 2.04 -1.87 -1.78 117.51 113.12 3gio h ILE 117 Ca 0.00 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.54 3gio h ILE 117 Cb 0.01 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3gio h ILE 117 CO -0.00 0.40 0.34 0.22 0.00 0.00 0.00 178.15 179.11 3gio h TYR 118 N 0.03 0.64 0.00 1.37 3.20 0.56 -1.98 116.97 120.79 3gio h TYR 118 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3gio h TYR 118 Cb 0.71 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3gio h TYR 118 CO 0.09 0.36 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.42 3gio h ASP 119 N 0.68 0.00 0.58 -2.11 3.32 -0.29 -2.67 116.42 115.93 3gio h ASP 119 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3gio h ASP 119 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3gio h ASP 119 CO -0.10 0.11 -0.35 -1.54 -1.72 0.00 0.00 179.24 175.63 3gio n SER 120 N -3.96 0.42 -4.57 6.45 3.41 -0.68 -4.93 113.62 109.76 3gio n SER 120 Ca -0.02 -0.15 -0.28 0.00 -0.26 0.00 0.00 58.87 58.15 3gio n SER 120 Cb 0.20 0.06 0.22 0.00 -0.26 0.00 0.00 64.21 64.42 3gio n SER 120 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gio s LEU 121 N -2.93 1.14 0.00 1.04 1.43 -1.01 0.11 118.68 118.45 3gio s LEU 121 Ca 0.14 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3gio s LEU 121 Cb 0.18 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3gio s LEU 121 CO 0.64 -3.77 0.00 0.59 0.23 0.00 0.00 176.35 174.04 3gio n ASN 123 N -4.62 0.00 -4.54 2.29 4.13 -1.26 -4.83 115.26 106.43 3gio n ASN 123 Ca 0.04 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.87 3gio n ASN 123 Cb 0.56 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.74 3gio n ASN 123 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3gio s VAL 124 N -2.90 4.74 -0.04 2.41 0.11 -1.26 -1.73 120.40 121.72 3gio s VAL 124 Ca 0.00 0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 3gio s VAL 124 Cb 0.00 -4.25 -0.05 0.00 -1.53 0.00 0.00 36.38 30.55 3gio s VAL 124 CO 0.00 -0.62 0.43 -1.81 -3.33 0.00 0.00 175.10 169.78 3gio s ASP 125 N 2.04 6.76 -0.48 3.54 1.01 -0.28 -4.83 116.67 124.42 3gio s ASP 125 Ca 0.27 0.90 -0.26 0.00 0.71 0.00 0.00 52.55 54.18 3gio s ASP 125 Cb -0.13 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.56 3gio s ASP 125 CO 0.20 0.20 0.96 -0.60 0.21 0.00 0.00 175.17 176.15 3gio s ARG 126 N -0.42 3.53 0.17 8.23 3.52 -1.26 -1.31 118.95 131.40 3gio s ARG 126 Ca 0.24 0.16 0.24 0.00 -0.13 0.00 0.00 55.73 56.23 3gio s ARG 126 Cb -0.16 -3.94 0.23 0.00 -1.56 0.00 0.00 34.95 29.51 3gio s ARG 126 CO 0.12 -1.30 1.25 -0.07 -0.81 0.00 0.00 175.30 174.49 3gio h LEU 127 N 10.76 0.00 -7.52 -0.88 3.38 -0.71 -3.49 115.31 116.85 3gio h LEU 127 Ca -0.24 -0.13 0.25 0.00 0.09 0.00 0.00 57.88 57.85 3gio h LEU 127 Cb 1.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 3gio h LEU 127 CO 1.05 0.06 0.67 -0.83 0.09 0.00 0.00 178.44 179.49 3gio s GLY 128 N -3.93 -0.27 -0.14 0.83 0.00 -1.16 -5.00 107.32 97.66 3gio s GLY 128 Ca 0.04 0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 3gio s GLY 128 CO 0.74 0.68 0.45 -0.42 0.00 0.00 0.00 173.10 174.56 3gio s ILE 129 N -2.70 0.01 -0.07 0.90 1.01 -1.26 -2.30 121.20 116.78 3gio s ILE 129 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 3gio s ILE 129 Cb 0.01 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.86 3gio s ILE 129 CO -0.00 -0.04 0.13 -0.47 0.00 0.00 0.00 174.94 174.56 3gio s TYR 130 N -0.09 -0.11 -0.24 3.97 5.04 -0.77 -4.98 117.35 120.15 3gio s TYR 130 Ca -0.03 0.51 -0.14 0.00 -2.44 0.00 0.00 57.07 54.98 3gio s TYR 130 Cb -0.03 -0.32 -0.04 0.00 0.35 0.00 0.00 41.96 41.92 3gio s TYR 130 CO 0.02 -0.25 0.30 0.42 -1.34 0.00 0.00 175.55 174.70 3gio s ILE 131 N 2.22 5.25 -0.75 3.14 1.09 -1.26 -0.38 121.20 130.51 3gio s ILE 131 Ca 0.03 0.45 -0.26 0.00 -1.10 0.00 0.00 60.65 59.77 3gio s ILE 131 Cb -0.12 -3.63 0.02 0.00 -1.06 0.00 0.00 42.46 37.67 3gio s ILE 131 CO -0.05 0.24 1.44 0.21 -0.10 0.00 0.00 174.94 176.68 3gio s ASN 132 N 1.34 5.98 0.43 3.58 3.84 0.62 -4.86 114.94 125.86 3gio s ASN 132 Ca 0.13 -0.39 0.17 0.00 0.21 0.00 0.00 52.86 52.98 3gio s ASN 132 Cb -0.15 -2.55 1.08 0.00 -0.55 0.00 0.00 41.25 39.07 3gio s ASN 132 CO 0.08 -1.95 1.90 -0.65 -2.79 0.00 0.00 177.10 173.69 3gio h PRO 133 N 11.08 0.39 0.00 0.43 0.11 -1.94 0.26 132.00 142.32 3gio h PRO 133 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gio h PRO 133 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3gio h PRO 133 CO 1.28 0.26 0.00 -1.71 -0.21 0.00 0.00 178.00 177.62 3gio n ASN 134 N -4.48 0.00 -2.00 -2.05 2.85 -1.26 -3.51 115.26 104.81 3gio n ASN 134 Ca 0.16 0.98 -0.03 0.00 -0.11 0.00 0.00 54.58 55.58 3gio n ASN 134 Cb 0.59 -0.48 0.33 0.00 1.24 0.00 0.00 39.78 41.46 3gio n ASN 134 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3gio n ASN 135 N -2.05 5.10 -3.00 1.20 6.94 -1.20 -4.92 115.26 117.32 3gio n ASN 135 Ca 0.00 -3.15 -0.17 0.00 -0.02 0.00 0.00 54.58 51.25 3gio n ASN 135 Cb 0.00 -0.74 -0.01 0.00 -2.36 0.00 0.00 39.78 36.68 3gio n ASN 135 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gio n GLU 136 N 0.06 -2.83 -3.37 -3.83 -0.58 0.87 -4.81 120.64 106.15 3gio n GLU 136 Ca 0.38 0.41 -0.38 0.00 -0.42 0.00 0.00 57.16 57.15 3gio n GLU 136 Cb 1.35 -5.04 -0.06 0.00 -0.57 0.00 0.00 31.44 27.12 3gio n GLU 136 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3gio s GLU 137 N -5.60 4.28 -0.13 3.49 2.12 -0.97 -2.87 118.70 119.02 3gio s GLU 137 Ca 0.23 0.39 -0.02 0.00 0.36 0.00 0.00 54.97 55.93 3gio s GLU 137 Cb -0.13 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 3gio s GLU 137 CO 0.29 0.23 -0.05 0.54 -0.54 0.00 0.00 175.26 175.72 3gio s VAL 138 N 0.40 3.77 0.07 3.70 0.11 -0.08 0.23 120.40 128.59 3gio s VAL 138 Ca 0.24 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 3gio s VAL 138 Cb -0.15 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 3gio s VAL 138 CO 0.10 0.53 0.02 -0.36 -3.33 0.00 0.00 175.10 172.05 3gio s PHE 139 N 0.02 3.05 0.05 1.54 0.08 0.48 -0.49 117.98 122.71 3gio s PHE 139 Ca -0.00 0.01 0.06 0.00 0.12 0.00 0.00 56.93 57.12 3gio s PHE 139 Cb -0.13 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 3gio s PHE 139 CO 0.03 0.49 -0.17 0.00 -0.10 0.00 0.00 175.22 175.46 3gio s ALA 140 N -1.29 1.44 -0.19 5.36 0.00 0.10 -1.85 121.76 125.33 3gio s ALA 140 Ca 0.26 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3gio s ALA 140 Cb -0.12 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.80 3gio s ALA 140 CO 0.18 0.29 -0.13 -1.17 0.00 0.00 0.00 175.76 174.93 3gio s LEU 141 N -1.26 2.27 0.34 0.00 2.96 -0.97 -2.46 118.68 119.56 3gio s LEU 141 Ca 0.04 -0.82 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3gio s LEU 141 Cb -0.08 -1.32 -0.07 0.00 0.50 0.00 0.00 46.19 45.22 3gio s LEU 141 CO 0.02 -0.10 -0.02 0.68 -1.32 0.00 0.00 176.35 175.61 3gio s VAL 142 N 1.35 1.76 -0.20 1.68 -7.23 -0.97 0.07 120.40 116.86 3gio s VAL 142 Ca 0.01 -2.07 -0.07 0.00 -1.81 0.00 0.00 61.98 58.03 3gio s VAL 142 Cb -0.15 -2.73 0.09 0.00 0.56 0.00 0.00 36.38 34.15 3gio s VAL 142 CO -0.09 -0.12 0.42 -0.60 -0.31 0.00 0.00 175.10 174.40 3gio s ARG 143 N -3.74 0.33 -0.04 4.82 3.52 -0.43 -2.37 118.95 121.05 3gio s ARG 143 Ca 0.33 1.03 -0.28 0.00 -0.13 0.00 0.00 55.73 56.68 3gio s ARG 143 Cb 0.07 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 3gio s ARG 143 CO 0.15 -0.25 0.91 0.00 -0.81 0.00 0.00 175.30 175.31 3gio s ALA 144 N 2.55 3.25 -0.09 6.12 0.00 -0.01 -1.13 121.76 132.46 3gio s ALA 144 Ca -0.02 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3gio s ALA 144 Cb -0.12 -3.26 -0.25 0.00 0.00 0.00 0.00 23.12 19.49 3gio s ALA 144 CO -0.13 -0.27 0.49 0.54 0.00 0.00 0.00 175.76 176.39 3gio n ARG 145 N 4.07 0.71 -1.51 0.00 5.12 -0.71 -4.86 116.66 119.49 3gio n ARG 145 Ca 0.05 0.28 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 3gio n ARG 145 Cb 0.51 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 3gio n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gio n GLY 146 N 1.82 3.67 3.45 -0.13 0.00 -1.26 -4.95 105.19 107.80 3gio n GLY 146 Ca -0.26 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 3gio n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gio s PHE 147 N -3.44 -0.55 -0.66 1.61 -0.71 -1.26 -4.62 117.98 108.35 3gio s PHE 147 Ca 0.00 1.01 -0.25 0.00 -1.04 0.00 0.00 56.93 56.65 3gio s PHE 147 Cb 0.00 0.31 0.05 0.00 -1.21 0.00 0.00 43.02 42.17 3gio s PHE 147 CO 0.00 -0.51 1.10 0.34 -1.34 0.00 0.00 175.22 174.81 3gio s ASP 148 N -0.99 6.23 0.13 1.98 -1.08 0.29 -4.93 116.67 118.31 3gio s ASP 148 Ca -0.10 -0.55 -0.30 0.00 -0.52 0.00 0.00 52.55 51.09 3gio s ASP 148 Cb -0.02 -2.49 -0.06 0.00 -1.46 0.00 0.00 42.92 38.89 3gio s ASP 148 CO 0.07 -1.55 1.57 0.50 0.52 0.00 0.00 175.17 176.28 3gio h LYS 149 N 9.68 -0.46 -0.94 4.34 3.64 -1.99 0.50 116.57 131.34 3gio h LYS 149 Ca -0.28 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3gio h LYS 149 Cb 1.06 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 3gio h LYS 149 CO 1.20 -0.31 0.60 -0.44 -2.27 0.00 0.00 179.45 178.24 3gio h ASP 150 N -0.48 0.98 -0.82 4.20 3.32 -1.99 0.15 116.42 121.77 3gio h ASP 150 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3gio h ASP 150 Cb 0.63 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3gio h ASP 150 CO -0.45 0.64 0.51 0.00 -1.72 0.00 0.00 179.24 178.23 3gio h ALA 151 N 1.41 1.05 -0.31 3.45 0.00 -1.77 -1.26 119.26 121.83 3gio h ALA 151 Ca 0.39 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3gio h ALA 151 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3gio h ALA 151 CO -0.15 0.49 -0.08 1.25 0.00 0.00 0.00 179.25 180.75 3gio h LEU 152 N 1.12 0.62 -0.37 0.00 5.85 0.33 -2.27 115.31 120.59 3gio h LEU 152 Ca 0.30 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3gio h LEU 152 Cb -0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3gio h LEU 152 CO -0.06 0.85 0.18 0.28 -0.34 0.00 0.00 178.44 179.35 3gio h SER 153 N 0.38 0.49 -0.84 1.25 0.02 -0.76 -1.28 113.55 112.80 3gio h SER 153 Ca 0.08 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3gio h SER 153 Cb 0.58 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 3gio h SER 153 CO 0.03 0.47 0.55 -0.08 -1.14 0.00 0.00 176.83 176.66 3gio h GLU 154 N 0.47 1.06 -0.59 3.45 4.81 -1.21 0.79 114.58 123.35 3gio h GLU 154 Ca 0.13 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3gio h GLU 154 Cb 0.11 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3gio h GLU 154 CO -0.02 0.70 0.08 0.78 -0.73 0.00 0.00 179.01 179.82 3gio h GLY 155 N 1.09 1.04 1.06 1.92 0.00 -1.07 -2.20 103.07 104.91 3gio h GLY 155 Ca 0.33 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3gio h GLY 155 CO -0.10 0.63 -0.25 1.41 0.00 0.00 0.00 176.54 178.23 3gio h LEU 156 N 0.91 0.92 -2.15 3.11 3.38 -0.47 -2.63 115.31 118.38 3gio h LEU 156 Ca 0.18 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3gio h LEU 156 Cb 0.42 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gio h LEU 156 CO 0.01 1.14 -0.07 0.45 0.09 0.00 0.00 178.44 180.07 3gio h HIS 157 N 0.71 0.00 0.00 1.13 3.86 -0.63 -3.21 115.15 117.01 3gio h HIS 157 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3gio h HIS 157 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 3gio h HIS 157 CO 0.06 0.07 0.00 1.63 0.86 0.00 0.00 177.93 180.55 3gio n LYS 158 N -3.63 0.63 -2.51 2.45 5.02 -0.85 -4.47 118.16 114.80 3gio n LYS 158 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.24 3gio n LYS 158 Cb 0.18 -1.19 0.05 0.00 -0.02 0.00 0.00 35.03 34.05 3gio n LYS 158 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3gio n SER 160 N 1.68 2.00 -4.78 4.39 7.64 -1.24 -5.12 113.62 118.20 3gio n SER 160 Ca 0.00 -2.32 -0.38 0.00 1.01 0.00 0.00 58.87 57.18 3gio n SER 160 Cb 0.31 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 3gio n SER 160 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gio s LEU 161 N -3.31 4.39 0.85 -3.43 1.43 -1.21 -5.04 118.68 112.34 3gio s LEU 161 Ca 0.32 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 3gio s LEU 161 Cb 0.34 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3gio s LEU 161 CO -0.04 0.18 0.24 0.47 0.23 0.00 0.00 176.35 177.43 3gio n ASP 162 N 2.63 -2.43 -0.06 2.29 8.00 -1.26 -4.64 116.55 121.09 3gio n ASP 162 Ca -0.11 0.43 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 3gio n ASP 162 Cb 0.52 -1.12 0.23 0.00 -0.02 0.00 0.00 41.12 40.73 3gio n ASP 162 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3gio h ASN 163 N -0.93 0.62 -0.23 -2.24 4.21 -1.99 -0.55 115.58 114.48 3gio h ASN 163 Ca -0.44 -0.13 -0.01 0.00 1.21 0.00 0.00 56.30 56.93 3gio h ASN 163 Cb 1.32 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.34 3gio h ASN 163 CO 0.36 0.69 0.11 -0.61 -1.29 0.00 0.00 177.43 176.69 3gio h GLN 164 N 0.63 0.33 -0.13 0.81 4.15 -1.99 -1.40 115.11 117.51 3gio h GLN 164 Ca 0.13 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3gio h GLN 164 Cb 0.38 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3gio h GLN 164 CO 0.01 0.33 0.06 0.00 -1.93 0.00 0.00 178.83 177.30 3gio h ALA 165 N 0.98 0.16 -0.24 3.38 0.00 -1.80 -0.74 119.26 121.00 3gio h ALA 165 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3gio h ALA 165 Cb 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3gio h ALA 165 CO -0.01 -0.27 -0.08 0.28 0.00 0.00 0.00 179.25 179.17 3gio h VAL 166 N 0.07 0.72 -0.02 0.00 2.07 -1.02 0.50 116.25 118.57 3gio h VAL 166 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3gio h VAL 166 Cb 0.12 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3gio h VAL 166 CO -0.01 0.00 -0.21 -1.28 0.02 0.00 0.00 177.57 176.09 3gio h SER 167 N -0.03 -0.63 -0.29 0.57 0.87 -1.02 0.48 113.55 113.49 3gio h SER 167 Ca 0.12 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3gio h SER 167 Cb 0.21 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3gio h SER 167 CO -0.26 -0.28 0.04 0.40 -0.53 0.00 0.00 176.83 176.20 3gio h ILE 168 N -0.33 1.24 -0.46 2.23 2.04 -0.71 -1.86 117.51 119.66 3gio h ILE 168 Ca 0.07 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.15 3gio h ILE 168 Cb 0.42 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3gio h ILE 168 CO -0.21 0.27 0.16 -0.07 0.00 0.00 0.00 178.15 178.30 3gio h LEU 169 N 0.31 0.16 -0.91 1.44 3.38 0.22 0.08 115.31 120.00 3gio h LEU 169 Ca 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gio h LEU 169 Cb 0.36 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3gio h LEU 169 CO 0.01 0.12 0.46 0.58 0.09 0.00 0.00 178.44 179.71 3gio h VAL 170 N 0.33 1.26 -0.68 1.22 2.07 -0.84 -1.13 116.25 118.48 3gio h VAL 170 Ca 0.22 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3gio h VAL 170 Cb 0.22 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3gio h VAL 170 CO -0.23 0.30 0.35 0.00 0.02 0.00 0.00 177.57 178.02 3gio h ALA 171 N 1.27 0.87 0.34 1.67 0.00 -0.41 -0.91 119.26 122.08 3gio h ALA 171 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gio h ALA 171 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gio h ALA 171 CO -0.05 0.40 -0.16 0.87 0.00 0.00 0.00 179.25 180.31 3gio h LYS 172 N 0.93 -0.44 -0.36 0.00 1.79 -0.45 -0.89 116.57 117.15 3gio h LYS 172 Ca 0.24 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.81 3gio h LYS 172 Cb 0.07 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 3gio h LYS 172 CO -0.03 -0.22 -0.05 0.28 -1.08 0.00 0.00 179.45 178.34 3gio h VAL 173 N -0.57 0.68 -0.96 0.50 2.07 -1.12 0.17 116.25 117.02 3gio h VAL 173 Ca -0.05 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.68 3gio h VAL 173 Cb 0.42 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3gio h VAL 173 CO 0.08 0.01 0.62 -0.08 0.02 0.00 0.00 177.57 178.22 3gio h GLU 174 N 0.04 0.43 -0.26 1.57 4.81 -0.94 0.51 114.58 120.75 3gio h GLU 174 Ca 0.17 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 3gio h GLU 174 Cb 0.26 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3gio h GLU 174 CO -0.34 0.29 -0.51 1.49 -0.73 0.00 0.00 179.01 179.20 3gio h GLU 175 N 0.45 0.74 -0.55 1.92 4.81 0.72 -3.13 114.58 119.53 3gio h GLU 175 Ca 0.52 -0.45 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3gio h GLU 175 Cb 1.23 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.58 3gio h GLU 175 CO -0.23 1.07 0.12 0.82 -0.73 0.00 0.00 179.01 180.06 3gio h ILE 176 N 0.57 0.69 0.00 2.32 1.08 0.16 0.33 117.51 122.66 3gio h ILE 176 Ca 0.02 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3gio h ILE 176 Cb 1.09 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3gio h ILE 176 CO 0.11 0.05 0.00 0.49 -0.69 0.00 0.00 178.15 178.11 3gio n PHE 177 N -5.11 0.00 -0.08 1.37 3.72 -0.91 -2.44 117.46 114.01 3gio n PHE 177 Ca 0.07 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 3gio n PHE 177 Cb 0.28 -0.30 -0.12 0.00 -0.94 0.00 0.00 39.48 38.40 3gio n PHE 177 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3gio n LYS 178 N -1.30 0.60 -0.09 -1.08 4.76 0.94 -2.05 118.16 119.95 3gio n LYS 178 Ca 0.09 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 3gio n LYS 178 Cb 0.16 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3gio n LYS 178 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3gio n ASP 179 N -4.25 2.69 0.00 4.39 9.92 0.00 -2.99 116.55 126.31 3gio n ASP 179 Ca -0.33 -1.64 0.00 0.00 -0.53 0.00 0.00 54.79 52.29 3gio n ASP 179 Cb 0.76 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 3gio n ASP 179 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3gio n SER 180 N 0.85 0.00 0.00 -2.24 7.64 -1.17 -4.97 113.62 113.73 3gio n SER 180 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3gio n SER 180 Cb 0.38 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3gio n SER 180 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58