#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 -0.32 -4.70 0.53 2.88 -1.26 -4.73 113.62 106.02 3gio n SER 35 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3gio n SER 35 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 3gio n SER 35 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3gio s PHE 36 N 0.00 2.54 -0.08 0.66 0.08 -1.26 -5.09 117.98 114.84 3gio s PHE 36 Ca 0.00 0.54 0.05 0.00 0.12 0.00 0.00 56.93 57.63 3gio s PHE 36 Cb 0.00 -3.58 -0.00 0.00 -0.57 0.00 0.00 43.02 38.87 3gio s PHE 36 CO 0.00 -1.93 -0.22 -0.51 -0.10 0.00 0.00 175.22 172.46 3gio s LEU 37 N -5.58 2.01 0.23 -0.37 1.02 -1.26 -5.08 118.68 109.66 3gio s LEU 37 Ca 0.65 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 54.36 3gio s LEU 37 Cb -0.09 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 3gio s LEU 37 CO 0.49 0.17 0.29 -1.10 0.02 0.00 0.00 176.35 176.22 3gio s GLN 38 N 0.18 3.24 -1.27 1.70 -1.52 -1.26 -4.64 119.66 116.09 3gio s GLN 38 Ca -0.12 -0.85 -0.09 0.00 -1.95 0.00 0.00 55.36 52.35 3gio s GLN 38 Cb -0.16 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 29.85 3gio s GLN 38 CO 0.06 0.43 0.64 -0.25 -0.25 0.00 0.00 175.29 175.92 3gio n ASP 39 N -1.20 -2.66 -4.72 5.90 8.00 -1.26 -4.96 116.55 115.64 3gio n ASP 39 Ca -0.08 -0.97 -0.37 0.00 0.71 0.00 0.00 54.79 54.08 3gio n ASP 39 Cb 0.57 -3.43 -0.07 0.00 -0.02 0.00 0.00 41.12 38.17 3gio n ASP 39 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gio s VAL 40 N -3.69 5.28 0.58 2.53 0.11 -1.26 -5.04 120.40 118.91 3gio s VAL 40 Ca 0.21 0.63 -0.19 0.00 -2.93 0.00 0.00 61.98 59.70 3gio s VAL 40 Cb -0.07 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 3gio s VAL 40 CO 0.86 0.36 1.19 -2.84 -3.33 0.00 0.00 175.10 171.35 3gio s PRO 41 N 0.58 3.08 0.51 1.54 0.02 -1.26 -4.89 135.00 134.57 3gio s PRO 41 Ca 0.18 1.79 0.16 0.00 0.02 0.00 0.00 61.00 63.15 3gio s PRO 41 Cb -0.13 -1.96 1.25 0.00 0.02 0.00 0.00 34.50 33.68 3gio s PRO 41 CO 0.05 -1.11 2.13 -0.92 -0.33 0.00 0.00 177.00 176.82 3gio h TYR 42 N 0.99 0.00 0.00 6.54 5.03 -2.06 -3.33 116.97 124.14 3gio h TYR 42 Ca -0.50 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 60.73 3gio h TYR 42 Cb 1.29 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.54 3gio h TYR 42 CO 0.48 0.03 0.13 -2.67 -1.32 0.00 0.00 178.16 174.81 3gio n TRP 43 N -4.46 0.00 -1.64 -3.82 4.27 -1.26 -4.87 117.44 105.65 3gio n TRP 43 Ca -0.03 -0.60 0.00 0.00 -3.89 0.00 0.00 57.50 52.98 3gio n TRP 43 Cb 0.12 -0.87 0.00 0.00 -1.36 0.00 0.00 31.31 29.20 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 2.76 -2.97 0.12 5.67 4.32 -1.25 -4.97 117.00 120.68 3gio n LEU 45 Ca 0.17 2.24 0.06 0.00 -0.02 0.00 0.00 56.01 58.46 3gio n LEU 45 Cb 0.37 -2.58 0.32 0.00 -1.62 0.00 0.00 43.42 39.90 3gio n LEU 45 CO 0.19 -0.14 0.73 1.67 -1.22 0.00 0.00 177.39 178.62 3gio n GLN 46 N -0.00 0.08 -1.56 3.23 7.27 -1.26 -4.67 117.38 120.46 3gio n GLN 46 Ca 0.00 0.53 -0.48 0.00 0.07 0.00 0.00 57.00 57.11 3gio n GLN 46 Cb 0.00 -1.95 -0.05 0.00 2.41 0.00 0.00 30.24 30.65 3gio n GLN 46 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3gio n ASN 47 N -1.92 2.81 -4.34 1.69 5.15 -1.26 -4.69 115.26 112.70 3gio n ASN 47 Ca -0.01 0.56 -0.09 0.00 -0.60 0.00 0.00 54.58 54.44 3gio n ASN 47 Cb 0.21 -1.36 -0.08 0.00 -0.53 0.00 0.00 39.78 38.03 3gio n ASN 47 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gio n ARG 48 N 7.75 0.09 -0.14 1.20 3.00 -1.26 -4.69 116.66 122.60 3gio n ARG 48 Ca 0.32 -0.79 0.26 0.00 -0.01 0.00 0.00 57.85 57.63 3gio n ARG 48 Cb 0.30 -2.49 0.71 0.00 0.00 0.00 0.00 32.46 30.98 3gio n ARG 48 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3gio h SER 49 N 10.64 0.02 -6.70 0.55 0.02 -1.87 -3.46 113.55 112.76 3gio h SER 49 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3gio h SER 49 Cb 1.01 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 3gio h SER 49 CO 1.06 0.01 -1.02 -1.84 -1.14 0.00 0.00 176.83 173.89 3gio n GLU 50 N -4.30 -1.30 -3.85 3.45 0.28 -1.26 -4.98 120.64 108.67 3gio n GLU 50 Ca 0.17 0.67 -0.30 0.00 -0.16 0.00 0.00 57.16 57.53 3gio n GLU 50 Cb 0.87 -2.56 -0.15 0.00 1.43 0.00 0.00 31.44 31.04 3gio n GLU 50 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3gio s TYR 51 N -3.10 2.64 0.24 -1.84 4.12 -1.26 -5.03 117.35 113.13 3gio s TYR 51 Ca 0.10 -2.47 -0.07 0.00 0.02 0.00 0.00 57.07 54.66 3gio s TYR 51 Cb -0.05 -2.29 0.40 0.00 -1.52 0.00 0.00 41.96 38.49 3gio s TYR 51 CO 0.90 -0.87 1.34 -0.89 0.02 0.00 0.00 175.55 176.05 3gio n ILE 52 N 4.21 -0.36 1.60 2.71 5.41 -1.26 0.77 119.36 132.44 3gio n ILE 52 Ca 0.03 1.97 0.12 0.00 1.00 0.00 0.00 62.75 65.86 3gio n ILE 52 Cb 0.39 -2.72 0.70 0.00 -0.71 0.00 0.00 39.64 37.30 3gio n ILE 52 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3gio n THR 53 N -5.40 0.00 -4.71 1.39 -2.24 -1.26 -4.64 114.28 97.43 3gio n THR 53 Ca 0.14 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.58 3gio n THR 53 Cb 0.43 -0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 67.98 3gio n THR 53 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gio s GLN 54 N -2.00 2.81 0.01 -0.78 -0.21 0.23 -1.19 119.66 118.53 3gio s GLN 54 Ca 0.35 -0.60 0.01 0.00 0.02 0.00 0.00 55.36 55.13 3gio s GLN 54 Cb 0.16 -2.55 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 3gio s GLN 54 CO 0.27 0.57 -0.03 0.20 -2.12 0.00 0.00 175.29 174.18 3gio s GLY 55 N -0.58 0.20 -0.03 3.09 0.00 -0.75 -4.70 107.32 104.55 3gio s GLY 55 Ca 0.08 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.47 3gio s GLY 55 CO 0.02 -0.39 -0.14 0.14 0.00 0.00 0.00 173.10 172.72 3gio s VAL 56 N -0.77 1.17 0.34 1.40 1.01 -1.26 -0.68 120.40 121.62 3gio s VAL 56 Ca -0.07 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 3gio s VAL 56 Cb -0.05 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.36 3gio s VAL 56 CO -0.00 0.35 0.79 -0.62 0.00 0.00 0.00 175.10 175.61 3gio s ASP 57 N 0.07 -0.08 0.27 3.32 -1.08 -1.06 -4.81 116.67 113.30 3gio s ASP 57 Ca -0.03 -0.94 -0.01 0.00 -0.52 0.00 0.00 52.55 51.06 3gio s ASP 57 Cb -0.10 0.79 -0.02 0.00 -1.46 0.00 0.00 42.92 42.12 3gio s ASP 57 CO 0.01 -1.53 0.29 -0.94 0.52 0.00 0.00 175.17 173.53 3gio s SER 58 N -3.04 0.70 -0.08 -0.34 1.04 -1.26 -1.59 113.70 109.14 3gio s SER 58 Ca 0.14 -1.45 -0.13 0.00 0.48 0.00 0.00 55.95 54.99 3gio s SER 58 Cb -0.05 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.61 3gio s SER 58 CO 0.09 -1.04 0.32 -0.55 0.98 0.00 0.00 173.24 173.05 3gio s SER 59 N -3.22 -0.28 0.03 7.02 0.15 -0.83 -4.74 113.70 111.83 3gio s SER 59 Ca 0.35 0.41 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 3gio s SER 59 Cb 0.03 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 3gio s SER 59 CO 0.18 -0.26 0.38 -1.00 1.20 0.00 0.00 173.24 173.73 3gio s HIS 60 N -0.50 3.65 0.33 3.44 3.76 -1.26 -0.31 115.29 124.40 3gio s HIS 60 Ca -0.06 0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 55.42 3gio s HIS 60 Cb -0.04 -2.20 -0.10 0.00 1.11 0.00 0.00 32.58 31.35 3gio s HIS 60 CO 0.02 0.60 1.38 0.42 -0.85 0.00 0.00 174.74 176.31 3gio s ILE 61 N -1.22 2.53 0.05 0.60 -1.09 -0.76 -4.96 121.20 116.35 3gio s ILE 61 Ca 0.27 0.51 0.02 0.00 -2.23 0.00 0.00 60.65 59.22 3gio s ILE 61 Cb -0.15 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 3gio s ILE 61 CO 0.15 0.11 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.21 3gio s VAL 62 N -0.91 0.53 0.50 2.92 1.01 -1.26 -5.05 120.40 118.13 3gio s VAL 62 Ca 0.52 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3gio s VAL 62 Cb -0.42 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 3gio s VAL 62 CO 0.54 -0.51 1.09 0.47 0.00 0.00 0.00 175.10 176.68 3gio n ASP 63 N 1.11 1.52 0.00 3.32 8.00 -1.26 -2.26 116.55 126.98 3gio n ASP 63 Ca -0.20 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.26 3gio n ASP 63 Cb 0.56 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3gio n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gio n GLY 64 N 1.09 0.78 2.81 0.44 0.00 -1.26 -5.03 105.19 104.03 3gio n GLY 64 Ca 0.10 0.00 -0.16 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 -0.13 0.22 0.47 1.61 1.02 -0.96 -5.14 119.74 116.84 3gio s LYS 65 Ca 0.00 0.09 -0.21 0.00 0.02 0.00 0.00 55.97 55.87 3gio s LYS 65 Cb 0.00 -0.41 -0.09 0.00 -0.52 0.00 0.00 37.83 36.81 3gio s LYS 65 CO 0.00 -0.13 1.03 0.21 -0.92 0.00 0.00 175.35 175.54 3gio s LYS 66 N 0.95 3.86 0.39 1.68 2.20 -1.26 -4.62 119.74 122.94 3gio s LYS 66 Ca -0.09 1.35 0.12 0.00 -0.36 0.00 0.00 55.97 56.99 3gio s LYS 66 Cb -0.13 -2.13 0.92 0.00 -1.51 0.00 0.00 37.83 34.98 3gio s LYS 66 CO -0.02 -0.38 1.90 1.79 -0.36 0.00 0.00 175.35 178.29 3gio h THR 67 N 1.64 0.84 -0.30 3.43 1.35 -1.99 0.10 112.91 117.97 3gio h THR 67 Ca -0.49 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 3gio h THR 67 Cb 1.22 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 3gio h THR 67 CO 0.59 0.10 0.08 -0.08 -0.25 0.00 0.00 175.52 175.96 3gio h GLU 68 N 0.57 0.44 -0.21 4.72 4.22 -1.99 0.27 114.58 122.59 3gio h GLU 68 Ca 0.40 -0.06 -0.13 0.00 0.08 0.00 0.00 59.36 59.64 3gio h GLU 68 Cb 0.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3gio h GLU 68 CO -0.15 0.41 -0.39 1.49 -2.18 0.00 0.00 179.01 178.18 3gio h GLU 69 N 0.43 0.64 -0.50 1.92 4.81 -1.19 -2.81 114.58 117.88 3gio h GLU 69 Ca 0.10 -0.41 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 3gio h GLU 69 Cb 0.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3gio h GLU 69 CO -0.00 1.02 0.18 0.82 -0.73 0.00 0.00 179.01 180.30 3gio h ILE 70 N 0.33 1.19 -0.59 2.32 1.08 -0.57 -1.98 117.51 119.29 3gio h ILE 70 Ca 0.01 -0.62 0.03 0.00 -0.39 0.00 0.00 64.86 63.89 3gio h ILE 70 Cb 0.99 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 3gio h ILE 70 CO 0.09 0.24 0.36 -0.33 -0.69 0.00 0.00 178.15 177.82 3gio h GLU 71 N 0.71 0.70 -0.73 2.37 5.08 -0.35 -0.48 114.58 121.87 3gio h GLU 71 Ca 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gio h GLU 71 Cb 0.17 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3gio h GLU 71 CO -0.01 0.46 0.44 0.87 -1.00 0.00 0.00 179.01 179.76 3gio h LYS 72 N 0.72 0.99 -0.36 2.33 1.57 -1.12 0.31 116.57 121.01 3gio h LYS 72 Ca 0.24 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3gio h LYS 72 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3gio h LYS 72 CO -0.10 0.70 0.23 0.82 -0.57 0.00 0.00 179.45 180.53 3gio h ILE 73 N 0.99 1.08 -0.63 1.86 2.04 -0.85 -0.45 117.51 121.55 3gio h ILE 73 Ca 0.26 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 3gio h ILE 73 Cb -0.03 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3gio h ILE 73 CO -0.05 0.09 0.25 0.00 0.00 0.00 0.00 178.15 178.44 3gio h ALA 74 N 1.14 1.25 -0.39 1.87 0.00 -0.42 -1.44 119.26 121.27 3gio h ALA 74 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3gio h ALA 74 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3gio h ALA 74 CO -0.04 0.55 0.05 1.15 0.00 0.00 0.00 179.25 180.96 3gio h THR 75 N 0.91 1.25 -0.49 0.00 2.02 0.23 -0.45 112.91 116.37 3gio h THR 75 Ca 0.21 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 3gio h THR 75 Cb 0.18 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3gio h THR 75 CO -0.02 0.31 0.02 0.50 0.37 0.00 0.00 175.52 176.70 3gio h LYS 76 N 0.50 0.80 -0.11 6.66 3.64 -0.75 -1.52 116.57 125.80 3gio h LYS 76 Ca 0.12 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 3gio h LYS 76 Cb 0.40 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3gio h LYS 76 CO 0.01 0.79 -0.49 0.00 -2.27 0.00 0.00 179.45 177.49 3gio h ARG 77 N 0.76 0.29 -0.33 1.90 3.08 -1.06 -1.72 114.38 117.30 3gio h ARG 77 Ca 0.15 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3gio h ARG 77 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3gio h ARG 77 CO 0.02 0.72 -0.08 0.00 -1.07 0.00 0.00 179.97 179.55 3gio h ALA 78 N 1.25 1.25 -0.18 0.04 0.00 -0.46 -1.18 119.26 119.98 3gio h ALA 78 Ca 0.01 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 3gio h ALA 78 Cb 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gio h ALA 78 CO 0.08 0.49 -0.70 1.15 0.00 0.00 0.00 179.25 180.28 3gio h THR 79 N 0.51 1.29 -0.56 0.00 2.02 -0.90 -2.70 112.91 112.57 3gio h THR 79 Ca 0.10 -1.91 -0.02 0.00 0.77 0.00 0.00 66.41 65.34 3gio h THR 79 Cb 0.46 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3gio h THR 79 CO 0.02 0.61 0.27 0.40 0.37 0.00 0.00 175.52 177.19 3gio h ILE 80 N 0.54 1.18 -0.50 3.11 2.04 -1.00 -1.45 117.51 121.43 3gio h ILE 80 Ca -0.03 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3gio h ILE 80 Cb 1.31 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3gio h ILE 80 CO 0.14 0.21 0.12 -0.09 0.00 0.00 0.00 178.15 178.54 3gio h ARG 81 N 0.78 0.76 -0.22 2.37 9.65 -1.03 0.19 114.38 126.90 3gio h ARG 81 Ca 0.20 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3gio h ARG 81 Cb 0.08 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 3gio h ARG 81 CO -0.03 0.69 0.11 0.28 2.80 0.00 0.00 179.97 183.82 3gio h VAL 82 N 0.74 1.13 -0.99 0.20 2.07 -0.97 0.25 116.25 118.68 3gio h VAL 82 Ca 0.17 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3gio h VAL 82 Cb 0.27 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3gio h VAL 82 CO -0.00 0.13 0.66 0.00 0.02 0.00 0.00 177.57 178.37 3gio h ALA 83 N 0.97 1.31 -0.24 1.67 0.00 -0.69 -0.80 119.26 121.49 3gio h ALA 83 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3gio h ALA 83 Cb 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gio h ALA 83 CO -0.01 0.63 -0.21 1.96 0.00 0.00 0.00 179.25 181.62 3gio h GLN 84 N 1.32 0.43 -0.57 0.00 4.20 0.14 -0.97 115.11 119.67 3gio h GLN 84 Ca 0.37 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3gio h GLN 84 Cb -0.12 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3gio h GLN 84 CO -0.09 0.63 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.77 3gio h ASN 85 N 0.39 0.98 -0.35 1.46 2.35 0.61 -1.71 115.58 119.31 3gio h ASN 85 Ca 0.06 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3gio h ASN 85 Cb 0.60 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3gio h ASN 85 CO 0.04 1.05 0.09 0.40 -1.65 0.00 0.00 177.43 177.36 3gio h ILE 86 N 0.92 1.22 -0.69 2.81 2.04 -0.77 -2.60 117.51 120.44 3gio h ILE 86 Ca 0.16 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.32 3gio h ILE 86 Cb 0.56 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3gio h ILE 86 CO 0.03 0.25 0.42 0.58 0.00 0.00 0.00 178.15 179.43 3gio h VAL 87 N 0.41 1.06 0.00 1.67 2.07 -0.96 -1.61 116.25 118.89 3gio h VAL 87 Ca 0.11 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3gio h VAL 87 Cb 0.29 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3gio h VAL 87 CO 0.00 0.15 -0.19 0.45 0.02 0.00 0.00 177.57 178.00 3gio h HIS 88 N 0.81 0.00 -0.29 1.57 3.86 -1.11 -1.97 115.15 118.02 3gio h HIS 88 Ca 0.29 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.32 3gio h HIS 88 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3gio h HIS 88 CO -0.05 0.19 -0.51 -0.22 0.86 0.00 0.00 177.93 178.20 3gio h LYS 89 N 0.00 0.83 -0.24 2.45 1.63 -0.94 -2.90 116.57 117.40 3gio h LYS 89 Ca -0.00 -0.50 -0.08 0.00 -0.85 0.00 0.00 60.65 59.22 3gio h LYS 89 Cb 0.36 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3gio h LYS 89 CO 0.02 1.13 -0.18 -0.07 -3.45 0.00 0.00 179.45 176.91 3gio h LEU 90 N 0.65 0.41 -0.30 5.20 3.38 -0.63 -1.89 115.31 122.12 3gio h LEU 90 Ca 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gio h LEU 90 Cb 1.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3gio h LEU 90 CO 0.11 0.61 0.11 0.11 0.09 0.00 0.00 178.44 179.46 3gio h LYS 91 N 0.38 0.46 -0.79 1.13 1.57 -1.32 0.10 116.57 118.10 3gio h LYS 91 Ca 0.07 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3gio h LYS 91 Cb 0.54 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3gio h LYS 91 CO 0.04 0.49 0.42 0.93 -0.57 0.00 0.00 179.45 180.76 3gio h GLU 92 N 0.33 1.10 -0.21 3.15 5.08 -1.28 0.31 114.58 123.06 3gio h GLU 92 Ca 0.10 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3gio h GLU 92 Cb 0.22 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gio h GLU 92 CO -0.01 0.82 -0.60 0.00 -1.00 0.00 0.00 179.01 178.22 3gio h ALA 93 N 1.35 0.54 -0.34 3.43 0.00 -1.13 -1.48 119.26 121.62 3gio h ALA 93 Ca 0.28 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3gio h ALA 93 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gio h ALA 93 CO -0.04 0.69 -0.31 -0.92 0.00 0.00 0.00 179.25 178.67 3gio h TYR 94 N 0.53 0.86 0.00 0.00 3.20 -0.24 -2.89 116.97 118.43 3gio h TYR 94 Ca -0.00 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 3gio h TYR 94 Cb 1.19 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 3gio h TYR 94 CO 0.06 0.95 -0.03 1.25 -1.64 0.00 0.00 178.16 178.76 3gio h LEU 95 N 0.63 0.00-10.06 2.82 5.85 -0.33 -3.44 115.31 110.78 3gio h LEU 95 Ca 0.07 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.24 3gio h LEU 95 Cb 0.83 0.00 0.15 0.00 0.37 0.00 0.00 40.66 42.00 3gio h LEU 95 CO 0.07 0.03 0.59 -0.24 -0.34 0.00 0.00 178.44 178.55 3gio n SER 96 N -3.11 2.59 0.20 1.25 2.88 -0.57 -4.91 113.62 111.96 3gio n SER 96 Ca 0.02 0.94 0.14 0.00 -1.33 0.00 0.00 58.87 58.65 3gio n SER 96 Cb 0.44 -1.58 0.70 0.00 -0.75 0.00 0.00 64.21 63.02 3gio n SER 96 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3gio h LYS 97 N 1.23 0.00 -0.65 -1.46 2.10 -1.89 -1.25 116.57 114.65 3gio h LYS 97 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3gio h LYS 97 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3gio h LYS 97 CO 0.56 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.26 3gio n THR 98 N -2.53 1.61 -2.24 0.07 -2.24 -1.26 -4.95 114.28 102.74 3gio n THR 98 Ca -0.01 -1.04 -0.41 0.00 -2.27 0.00 0.00 64.05 60.32 3gio n THR 98 Cb 0.13 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.85 6.93 -0.01 3.42 2.47 -0.47 -4.93 114.94 121.51 3gio s ASN 99 Ca 0.46 2.47 0.12 0.00 0.42 0.00 0.00 52.86 56.33 3gio s ASN 99 Cb 0.29 -2.63 -0.16 0.00 -1.45 0.00 0.00 41.25 37.31 3gio s ASN 99 CO 0.22 -0.45 0.43 0.54 -3.72 0.00 0.00 177.10 174.12 3gio n ARG 100 N 1.70 2.02 -1.76 0.43 5.12 -1.26 -4.97 116.66 117.93 3gio n ARG 100 Ca 0.02 -0.04 -0.43 0.00 -1.93 0.00 0.00 57.85 55.48 3gio n ARG 100 Cb 0.43 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.54 3gio n ARG 100 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gio s ILE 101 N -2.42 3.19 0.11 0.55 1.01 -1.26 -4.87 121.20 117.51 3gio s ILE 101 Ca 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 3gio s ILE 101 Cb 0.09 -3.20 -0.23 0.00 0.01 0.00 0.00 42.46 39.13 3gio s ILE 101 CO 0.51 -0.08 1.23 0.50 0.00 0.00 0.00 174.94 177.09 3gio h LYS 102 N 12.39 0.21 -6.87 2.79 1.63 -1.96 -3.46 116.57 121.29 3gio h LYS 102 Ca -0.42 -0.31 -0.53 0.00 -0.85 0.00 0.00 60.65 58.54 3gio h LYS 102 Cb 1.22 0.11 0.07 0.00 -0.60 0.00 0.00 32.23 33.03 3gio h LYS 102 CO 0.97 1.11 0.68 -1.14 -3.45 0.00 0.00 179.45 177.62 3gio s GLN 103 N -2.82 4.30 -0.20 1.90 0.74 -1.26 -4.95 119.66 117.36 3gio s GLN 103 Ca -0.03 2.30 -0.29 0.00 0.05 0.00 0.00 55.36 57.39 3gio s GLN 103 Cb 0.08 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 31.13 3gio s GLN 103 CO 0.86 -0.29 1.24 0.21 -0.55 0.00 0.00 175.29 176.76 3gio s LYS 104 N -1.63 4.18 -0.22 1.67 2.20 -1.26 -4.99 119.74 119.68 3gio s LYS 104 Ca 0.51 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.63 3gio s LYS 104 Cb -0.41 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.14 3gio s LYS 104 CO 0.53 -0.77 -0.07 0.42 -0.36 0.00 0.00 175.35 175.10 3gio s ILE 105 N 3.62 3.14 0.53 5.43 1.01 -1.26 -5.11 121.20 128.56 3gio s ILE 105 Ca 0.53 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 3gio s ILE 105 Cb -0.20 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3gio s ILE 105 CO 0.15 0.43 0.83 0.42 0.00 0.00 0.00 174.94 176.77 3gio s THR 106 N 1.44 4.29 0.25 2.92 -4.23 -1.26 -4.93 115.64 114.12 3gio s THR 106 Ca 0.05 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 3gio s THR 106 Cb -0.14 -3.66 0.24 0.00 1.34 0.00 0.00 72.50 70.28 3gio s THR 106 CO -0.05 -0.65 1.86 -1.13 -0.54 0.00 0.00 174.62 174.11 3gio h ASN 107 N 0.05 0.91 0.00 3.99 -1.24 -2.05 -1.25 115.58 115.99 3gio h ASN 107 Ca -0.46 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.56 3gio h ASN 107 Cb 1.23 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.10 3gio h ASN 107 CO 0.61 0.58 0.00 -0.62 -1.29 0.00 0.00 177.43 176.71 3gio n GLU 108 N -4.58 0.00 0.00 6.67 4.71 -1.26 -0.67 120.64 125.51 3gio n GLU 108 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 3gio n GLU 108 Cb 0.19 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 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 0.75 0.00 -0.37 -0.32 3.72 -0.47 -1.51 117.46 119.26 3gio n PHE 110 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3gio n PHE 110 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.99 0.00 4.37 2.04 -1.16 -3.13 117.51 120.62 3gio h ILE 111 Ca 0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3gio h ILE 111 Cb 0.00 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 35.90 3gio h ILE 111 CO 0.00 0.20 0.06 1.67 0.00 0.00 0.00 178.15 180.07 3gio n GLN 112 N -4.57 0.29 0.00 2.37 7.27 -0.57 -4.43 117.38 117.74 3gio n GLN 112 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3gio n GLN 112 Cb 0.28 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.51 3gio n GLN 112 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3gio n THR 114 N 2.07 0.00 0.48 1.69 -1.04 -1.19 -4.37 114.28 111.93 3gio n THR 114 Ca 0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 3gio n THR 114 Cb 0.14 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.18 -0.80 -2.82 5.75 -1.92 -0.49 115.11 113.65 3gio h GLN 115 Ca 0.00 0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3gio h GLN 115 Cb 0.00 0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 3gio h GLN 115 CO 0.00 -0.79 0.51 -1.00 -2.65 0.00 0.00 178.83 174.90 3gio h PRO 116 N -1.29 0.95 -0.13 -2.39 0.13 -1.92 0.77 132.00 128.11 3gio h PRO 116 Ca -0.13 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 64.98 3gio h PRO 116 Cb 0.94 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 3gio h PRO 116 CO 0.21 0.63 -0.09 0.82 -0.23 0.00 0.00 178.00 179.33 3gio h ILE 117 N 0.98 0.72 -0.12 -3.56 1.08 -1.91 -0.93 117.51 113.78 3gio h ILE 117 Ca 0.32 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.84 3gio h ILE 117 Cb 0.03 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 3gio h ILE 117 CO -0.12 0.00 -0.24 0.22 -0.69 0.00 0.00 178.15 177.32 3gio h TYR 118 N -0.10 -0.65 -0.06 1.37 3.20 -0.41 -1.47 116.97 118.85 3gio h TYR 118 Ca 0.08 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.00 3gio h TYR 118 Cb 0.22 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 3gio h TYR 118 CO -0.22 -0.33 0.10 -0.44 -1.64 0.00 0.00 178.16 175.63 3gio h ASP 119 N -0.32 0.00 0.68 -2.11 3.32 -0.27 -2.14 116.42 115.58 3gio h ASP 119 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gio h ASP 119 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3gio h ASP 119 CO -0.30 0.00 -0.34 -1.54 -1.72 0.00 0.00 179.24 175.34 3gio n SER 120 N -3.52 0.36 -4.64 6.45 3.41 -0.41 -4.97 113.62 110.30 3gio n SER 120 Ca -0.01 0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3gio n SER 120 Cb 0.19 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.33 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 -3.07 1.44 0.00 1.04 1.43 -0.81 -0.15 118.68 118.56 3gio s LEU 121 Ca 0.12 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3gio s LEU 121 Cb 0.18 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3gio s LEU 121 CO 0.65 -3.36 0.00 0.59 0.23 0.00 0.00 176.35 174.46 3gio n ASN 123 N -4.33 0.00 -4.57 2.29 3.02 -1.26 -4.88 115.26 105.53 3gio n ASN 123 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 3gio n ASN 123 Cb 0.57 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 3gio n ASN 123 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gio s VAL 124 N -2.87 4.45 -0.01 2.41 0.11 -1.26 -1.58 120.40 121.65 3gio s VAL 124 Ca 0.00 0.76 -0.17 0.00 -2.93 0.00 0.00 61.98 59.64 3gio s VAL 124 Cb 0.00 -4.45 -0.06 0.00 -1.53 0.00 0.00 36.38 30.34 3gio s VAL 124 CO 0.00 -0.86 0.49 -1.81 -3.33 0.00 0.00 175.10 169.58 3gio s ASP 125 N 2.31 6.86 -0.47 3.54 1.01 0.10 -4.84 116.67 125.18 3gio s ASP 125 Ca 0.38 1.02 -0.23 0.00 0.71 0.00 0.00 52.55 54.43 3gio s ASP 125 Cb -0.10 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.56 3gio s ASP 125 CO 0.27 0.21 0.79 -0.60 0.21 0.00 0.00 175.17 176.04 3gio s ARG 126 N -0.55 3.38 0.23 8.23 3.52 -1.26 -0.33 118.95 132.16 3gio s ARG 126 Ca 0.26 -0.17 0.17 0.00 -0.13 0.00 0.00 55.73 55.86 3gio s ARG 126 Cb -0.17 -3.96 0.03 0.00 -1.56 0.00 0.00 34.95 29.29 3gio s ARG 126 CO 0.14 -1.17 1.25 -0.07 -0.81 0.00 0.00 175.30 174.65 3gio h LEU 127 N 10.21 0.00 -7.04 -0.88 3.38 -1.45 -3.49 115.31 116.04 3gio h LEU 127 Ca -0.25 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.04 3gio h LEU 127 Cb 1.08 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 3gio h LEU 127 CO 0.98 0.41 0.91 -0.83 0.09 0.00 0.00 178.44 179.99 3gio s GLY 128 N -4.51 -0.32 -0.03 0.83 0.00 -1.08 -4.94 107.32 97.27 3gio s GLY 128 Ca 0.02 1.45 0.02 0.00 0.00 0.00 0.00 44.72 46.20 3gio s GLY 128 CO 0.76 0.44 -0.07 -0.42 0.00 0.00 0.00 173.10 173.81 3gio s ILE 129 N -2.21 0.66 -0.00 0.90 -1.09 -1.26 -0.45 121.20 117.74 3gio s ILE 129 Ca 0.12 -0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3gio s ILE 129 Cb 0.02 -0.62 -0.01 0.00 -1.58 0.00 0.00 42.46 40.27 3gio s ILE 129 CO -0.04 0.23 -0.08 -0.47 -1.23 0.00 0.00 174.94 173.35 3gio s TYR 130 N 0.48 0.68 -0.15 3.97 5.04 0.67 -4.98 117.35 123.05 3gio s TYR 130 Ca -0.07 -0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 54.42 3gio s TYR 130 Cb -0.11 -0.44 0.03 0.00 0.35 0.00 0.00 41.96 41.80 3gio s TYR 130 CO 0.01 -0.01 -0.08 0.42 -1.34 0.00 0.00 175.55 174.55 3gio s ILE 131 N -0.20 1.22 -0.22 3.14 1.01 -1.26 0.11 121.20 125.00 3gio s ILE 131 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 3gio s ILE 131 Cb -0.03 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 3gio s ILE 131 CO -0.00 0.24 1.45 0.21 0.00 0.00 0.00 174.94 176.84 3gio s ASN 132 N 1.60 6.61 0.50 3.58 3.84 -0.68 -4.87 114.94 125.52 3gio s ASN 132 Ca 0.02 1.56 0.26 0.00 0.21 0.00 0.00 52.86 54.91 3gio s ASN 132 Cb -0.14 -2.54 1.31 0.00 -0.55 0.00 0.00 41.25 39.34 3gio s ASN 132 CO -0.08 -1.07 2.01 -0.65 -2.79 0.00 0.00 177.10 174.52 3gio h PRO 133 N 9.66 0.00 0.07 0.43 0.11 -1.97 0.20 132.00 140.50 3gio h PRO 133 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gio h PRO 133 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gio h PRO 133 CO 1.00 0.15 -0.03 -0.91 -0.21 0.00 0.00 178.00 178.00 3gio h ASN 134 N 0.00 -0.08 -0.11 -2.05 -0.26 -1.94 -3.34 115.58 107.80 3gio h ASN 134 Ca -0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 3gio h ASN 134 Cb 0.42 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 3gio h ASN 134 CO 0.02 0.18 0.00 -0.46 -1.06 0.00 0.00 177.43 176.11 3gio n ASN 135 N -5.02 2.08 -3.70 5.81 0.23 -1.21 -4.83 115.26 108.63 3gio n ASN 135 Ca -0.08 -1.65 -0.24 0.00 -0.53 0.00 0.00 54.58 52.08 3gio n ASN 135 Cb 0.16 -0.07 0.05 0.00 -2.08 0.00 0.00 39.78 37.84 3gio n ASN 135 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gio n GLU 136 N 0.27 -6.02 -3.41 -3.83 1.02 0.70 -4.73 120.64 104.64 3gio n GLU 136 Ca 0.06 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.51 3gio n GLU 136 Cb 0.27 -5.53 -0.09 0.00 -0.02 0.00 0.00 31.44 26.07 3gio n GLU 136 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gio s GLU 137 N -6.13 4.07 -0.37 3.49 2.12 -1.15 -1.83 118.70 118.90 3gio s GLU 137 Ca 0.32 0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.53 3gio s GLU 137 Cb -0.15 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3gio s GLU 137 CO 0.79 -0.18 0.57 0.08 -0.54 0.00 0.00 175.26 175.98 3gio s VAL 138 N 1.76 4.94 -0.02 3.70 1.01 0.58 -1.69 120.40 130.69 3gio s VAL 138 Ca 0.16 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 3gio s VAL 138 Cb -0.15 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3gio s VAL 138 CO 0.09 -0.34 0.24 -0.36 0.00 0.00 0.00 175.10 174.73 3gio s PHE 139 N 2.56 3.58 -0.00 5.22 0.40 0.30 -1.97 117.98 128.07 3gio s PHE 139 Ca 0.21 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 57.11 3gio s PHE 139 Cb -0.15 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 3gio s PHE 139 CO 0.15 0.64 -0.11 0.00 0.70 0.00 0.00 175.22 176.60 3gio s ALA 140 N -1.25 0.87 -0.12 5.36 0.00 -0.62 -0.24 121.76 125.76 3gio s ALA 140 Ca 0.25 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3gio s ALA 140 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3gio s ALA 140 CO 0.15 0.20 -0.06 -1.17 0.00 0.00 0.00 175.76 174.87 3gio s LEU 141 N -0.38 3.13 0.10 0.00 2.96 0.40 -2.56 118.68 122.33 3gio s LEU 141 Ca 0.03 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3gio s LEU 141 Cb -0.05 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3gio s LEU 141 CO -0.00 0.25 -0.01 0.54 -1.32 0.00 0.00 176.35 175.80 3gio s VAL 142 N -0.12 0.39 -0.15 1.68 0.11 0.15 -1.11 120.40 121.34 3gio s VAL 142 Ca 0.01 -1.90 -0.06 0.00 -2.93 0.00 0.00 61.98 57.11 3gio s VAL 142 Cb -0.13 -1.80 0.07 0.00 -1.53 0.00 0.00 36.38 32.99 3gio s VAL 142 CO 0.03 -0.74 0.32 -0.60 -3.33 0.00 0.00 175.10 170.78 3gio s ARG 143 N -3.93 0.21 -0.27 1.54 3.52 0.55 -1.81 118.95 118.75 3gio s ARG 143 Ca 0.16 0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 56.36 3gio s ARG 143 Cb 0.07 0.09 -0.00 0.00 -1.56 0.00 0.00 34.95 33.55 3gio s ARG 143 CO -0.03 -0.27 0.83 0.00 -0.81 0.00 0.00 175.30 175.02 3gio s ALA 144 N 2.46 3.59 0.08 6.12 0.00 -0.34 0.00 121.76 133.68 3gio s ALA 144 Ca -0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 3gio s ALA 144 Cb -0.12 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.52 3gio s ALA 144 CO -0.10 -1.07 1.29 0.00 0.00 0.00 0.00 175.76 175.88 3gio h ARG 145 N 7.87 0.70 0.00 0.00 3.08 -1.62 -3.47 114.38 120.94 3gio h ARG 145 Ca -0.23 -0.55 -0.02 0.00 0.07 0.00 0.00 59.98 59.25 3gio h ARG 145 Cb 1.09 0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.26 3gio h ARG 145 CO 0.89 1.17 0.17 0.41 -1.07 0.00 0.00 179.97 181.54 3gio n GLY 146 N 0.66 1.37 3.11 0.04 0.00 -1.26 -4.95 105.19 104.16 3gio n GLY 146 Ca -0.07 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.85 0.31 -0.67 1.61 -0.71 -1.26 -4.59 117.98 107.82 3gio s PHE 147 Ca 0.10 -0.72 -0.20 0.00 -1.04 0.00 0.00 56.93 55.07 3gio s PHE 147 Cb -0.03 -0.22 0.10 0.00 -1.21 0.00 0.00 43.02 41.66 3gio s PHE 147 CO 0.07 -0.38 0.84 0.34 -1.34 0.00 0.00 175.22 174.75 3gio s ASP 148 N -2.47 6.26 0.15 1.98 2.15 0.78 -4.95 116.67 120.58 3gio s ASP 148 Ca -0.00 -1.44 -0.18 0.00 0.43 0.00 0.00 52.55 51.36 3gio s ASP 148 Cb 0.02 -2.35 0.04 0.00 -0.30 0.00 0.00 42.92 40.34 3gio s ASP 148 CO -0.07 -1.19 1.69 0.07 -0.17 0.00 0.00 175.17 175.50 3gio h LYS 149 N 9.20 0.01 -0.12 4.34 2.10 -1.99 -0.08 116.57 130.01 3gio h LYS 149 Ca -0.22 -0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.47 3gio h LYS 149 Cb 1.07 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3gio h LYS 149 CO 1.11 0.00 0.11 -0.44 -2.00 0.00 0.00 179.45 178.23 3gio h ASP 150 N 0.01 0.00 -0.22 7.07 3.32 -1.99 0.38 116.42 124.99 3gio h ASP 150 Ca 0.15 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3gio h ASP 150 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3gio h ASP 150 CO -0.31 0.00 -0.21 0.00 -1.72 0.00 0.00 179.24 177.00 3gio h ALA 151 N 1.90 0.32 -0.41 3.45 0.00 -1.45 -2.28 119.26 120.79 3gio h ALA 151 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gio h ALA 151 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gio h ALA 151 CO -0.00 0.26 0.19 1.25 0.00 0.00 0.00 179.25 180.95 3gio h LEU 152 N 0.21 0.54 -1.03 0.00 5.85 0.64 -2.22 115.31 119.30 3gio h LEU 152 Ca 0.04 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3gio h LEU 152 Cb 0.76 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3gio h LEU 152 CO 0.05 0.52 0.15 0.28 -0.34 0.00 0.00 178.44 179.11 3gio h SER 153 N 0.52 0.79 -0.33 1.25 0.02 -0.43 -0.49 113.55 114.88 3gio h SER 153 Ca 0.14 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3gio h SER 153 Cb 0.13 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3gio h SER 153 CO -0.02 0.76 0.03 -0.33 -1.14 0.00 0.00 176.83 176.14 3gio h GLU 154 N 0.82 0.55 -0.49 3.45 5.08 -1.22 -1.39 114.58 121.38 3gio h GLU 154 Ca 0.18 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gio h GLU 154 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3gio h GLU 154 CO -0.00 0.66 0.28 0.78 -1.00 0.00 0.00 179.01 179.72 3gio h GLY 155 N 0.37 0.73 1.41 -3.84 0.00 -0.99 -2.16 103.07 98.59 3gio h GLY 155 Ca 0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 3gio h GLY 155 CO 0.01 0.31 -0.11 1.41 0.00 0.00 0.00 176.54 178.16 3gio h LEU 156 N 0.65 0.69 -1.12 3.11 3.38 -1.00 -2.55 115.31 118.48 3gio h LEU 156 Ca 0.17 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3gio h LEU 156 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3gio h LEU 156 CO -0.03 0.83 -0.38 0.45 0.09 0.00 0.00 178.44 179.40 3gio h HIS 157 N 0.64 0.13 0.00 1.13 3.86 -1.08 -3.29 115.15 116.54 3gio h HIS 157 Ca 0.11 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3gio h HIS 157 Cb 0.56 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 3gio h HIS 157 CO 0.03 0.48 0.04 1.17 0.86 0.00 0.00 177.93 180.51 3gio n LYS 158 N -4.07 0.44 -2.64 2.45 4.81 -0.83 -4.39 118.16 113.93 3gio n LYS 158 Ca -0.02 -0.08 -0.02 0.00 -0.87 0.00 0.00 58.31 57.32 3gio n LYS 158 Cb 0.43 -1.40 0.12 0.00 0.02 0.00 0.00 35.03 34.20 3gio n LYS 158 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3gio n SER 160 N 2.05 -1.28 -4.90 3.14 3.41 -1.24 -5.11 113.62 109.70 3gio n SER 160 Ca 0.04 -2.20 -0.28 0.00 -0.26 0.00 0.00 58.87 56.16 3gio n SER 160 Cb 0.22 0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 64.77 3gio n SER 160 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gio s LEU 161 N -4.02 3.70 0.74 1.04 1.43 -1.24 -5.05 118.68 115.28 3gio s LEU 161 Ca 0.10 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 3gio s LEU 161 Cb 0.43 -3.90 0.05 0.00 0.03 0.00 0.00 46.19 42.80 3gio s LEU 161 CO -0.12 -0.52 1.15 -1.81 0.23 0.00 0.00 176.35 175.28 3gio s ASP 162 N -3.83 4.33 0.31 2.29 1.01 -1.26 -4.78 116.67 114.74 3gio s ASP 162 Ca 0.48 2.12 0.00 0.00 0.71 0.00 0.00 52.55 55.87 3gio s ASP 162 Cb -0.10 -2.56 0.51 0.00 1.01 0.00 0.00 42.92 41.77 3gio s ASP 162 CO 0.41 -2.16 1.91 0.78 0.21 0.00 0.00 175.17 176.32 3gio h ASN 163 N -0.59 0.75 -0.30 0.27 2.35 -1.99 0.59 115.58 116.66 3gio h ASN 163 Ca -0.46 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.20 3gio h ASN 163 Cb 1.26 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 3gio h ASN 163 CO 0.50 0.65 0.15 -0.61 -1.65 0.00 0.00 177.43 176.47 3gio h GLN 164 N 0.83 0.43 0.17 0.81 4.15 -1.99 -1.14 115.11 118.36 3gio h GLN 164 Ca 0.20 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3gio h GLN 164 Cb 0.12 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3gio h GLN 164 CO -0.02 0.40 -0.08 0.00 -1.93 0.00 0.00 178.83 177.19 3gio h ALA 165 N 1.01 -0.23 -0.06 3.38 0.00 -1.75 -0.83 119.26 120.78 3gio h ALA 165 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3gio h ALA 165 Cb 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3gio h ALA 165 CO -0.01 -0.59 -0.28 0.28 0.00 0.00 0.00 179.25 178.65 3gio h VAL 166 N -0.31 0.36 -0.29 0.00 2.07 -0.82 0.18 116.25 117.45 3gio h VAL 166 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3gio h VAL 166 Cb 0.24 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3gio h VAL 166 CO 0.04 0.00 -0.12 -1.28 0.02 0.00 0.00 177.57 176.23 3gio h SER 167 N -0.39 -0.42 -0.57 0.57 0.87 -1.12 -0.14 113.55 112.35 3gio h SER 167 Ca 0.08 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 3gio h SER 167 Cb 0.51 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 3gio h SER 167 CO -0.29 -0.16 0.12 0.40 -0.53 0.00 0.00 176.83 176.38 3gio h ILE 168 N -0.07 1.25 -0.33 2.23 2.04 -0.78 -2.12 117.51 119.73 3gio h ILE 168 Ca 0.15 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3gio h ILE 168 Cb 0.30 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3gio h ILE 168 CO -0.34 0.34 0.18 -0.07 0.00 0.00 0.00 178.15 178.26 3gio h LEU 169 N 0.83 0.42 -0.98 1.44 3.38 -0.14 -1.71 115.31 118.56 3gio h LEU 169 Ca 0.18 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gio h LEU 169 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3gio h LEU 169 CO 0.01 0.39 0.59 0.58 0.09 0.00 0.00 178.44 180.09 3gio h VAL 170 N 0.41 1.26 -0.47 1.22 2.07 -0.98 -2.34 116.25 117.42 3gio h VAL 170 Ca 0.12 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3gio h VAL 170 Cb 0.07 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3gio h VAL 170 CO -0.02 0.27 0.31 0.00 0.02 0.00 0.00 177.57 178.14 3gio h ALA 171 N 1.33 0.60 0.00 1.67 0.00 -0.96 -2.67 119.26 119.23 3gio h ALA 171 Ca 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3gio h ALA 171 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3gio h ALA 171 CO -0.07 0.03 -0.28 0.87 0.00 0.00 0.00 179.25 179.81 3gio h LYS 172 N 0.62 0.00 -0.24 0.00 1.57 -0.83 -2.18 116.57 115.51 3gio h LYS 172 Ca 0.18 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3gio h LYS 172 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3gio h LYS 172 CO -0.05 0.28 -0.13 0.28 -0.57 0.00 0.00 179.45 179.26 3gio h VAL 173 N 0.00 1.30 -0.85 0.50 2.07 -1.12 -2.47 116.25 115.69 3gio h VAL 173 Ca -0.00 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.38 3gio h VAL 173 Cb 0.58 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 3gio h VAL 173 CO 0.04 0.38 0.51 -0.33 0.02 0.00 0.00 177.57 178.19 3gio h GLU 174 N 0.23 0.88 -0.15 1.57 5.08 -1.13 0.25 114.58 121.31 3gio h GLU 174 Ca 0.05 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3gio h GLU 174 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3gio h GLU 174 CO 0.04 0.58 0.10 1.49 -1.00 0.00 0.00 179.01 180.22 3gio h GLU 175 N 0.90 0.09 0.05 2.33 4.81 -1.20 0.30 114.58 121.86 3gio h GLU 175 Ca 0.39 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3gio h GLU 175 Cb 0.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3gio h GLU 175 CO -0.20 0.06 -0.02 0.82 -0.73 0.00 0.00 179.01 178.93 3gio h ILE 176 N 0.09 1.31 -0.06 2.32 2.04 -0.09 -2.18 117.51 120.95 3gio h ILE 176 Ca 0.06 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 3gio h ILE 176 Cb 0.14 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3gio h ILE 176 CO -0.01 0.35 -0.28 -0.26 0.00 0.00 0.00 178.15 177.95 3gio h PHE 177 N -0.73 0.11 -0.20 1.37 0.04 -0.79 -2.63 116.94 114.12 3gio h PHE 177 Ca -0.01 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3gio h PHE 177 Cb 0.62 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 3gio h PHE 177 CO 0.14 0.38 -0.09 0.87 -0.60 0.00 0.00 178.31 179.01 3gio h LYS 178 N 0.09 0.41 0.00 1.51 1.57 -0.45 -2.05 116.57 117.65 3gio h LYS 178 Ca 0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3gio h LYS 178 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3gio h LYS 178 CO 0.04 0.69 0.00 -0.25 -0.57 0.00 0.00 179.45 179.36 3gio n ASP 179 N -4.58 0.57 -0.04 0.86 10.43 -0.82 -2.01 116.55 120.96 3gio n ASP 179 Ca -0.05 0.75 -0.19 0.00 2.57 0.00 0.00 54.79 57.87 3gio n ASP 179 Cb 0.31 -0.83 -0.13 0.00 1.84 0.00 0.00 41.12 42.31 3gio n ASP 179 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3gio n SER 180 N -2.25 1.90 0.00 -2.24 3.41 -1.02 -5.09 113.62 108.33 3gio n SER 180 Ca -0.01 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3gio n SER 180 Cb 0.06 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3gio n SER 180 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40