#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vga s ASP 7 N 0.00 4.51 -0.83 0.00 3.68 -1.26 -4.63 116.67 118.13 2vga s ASP 7 Ca 0.00 -3.49 -0.13 0.00 2.13 0.00 0.00 52.55 51.06 2vga s ASP 7 Cb 0.00 -1.58 -0.25 0.00 -1.45 0.00 0.00 42.92 39.64 2vga s ASP 7 CO 0.00 -0.15 1.92 -0.24 0.13 0.00 0.00 175.17 176.84 2vga n SER 8 N 2.46 -0.78 -0.06 -0.34 2.88 -1.26 -4.67 113.62 111.85 2vga n SER 8 Ca 0.14 -0.27 0.02 0.00 -1.33 0.00 0.00 58.87 57.43 2vga n SER 8 Cb 0.34 -0.54 0.34 0.00 -0.75 0.00 0.00 64.21 63.60 2vga n SER 8 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2vga h ASP 9 N 9.37 0.58 -2.78 -3.46 3.32 -1.99 -3.42 116.42 118.05 2vga h ASP 9 Ca 0.01 -0.04 -0.69 0.00 0.02 0.00 0.00 57.03 56.33 2vga h ASP 9 Cb 0.98 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 40.20 2vga h ASP 9 CO 1.29 0.48 0.43 0.54 -1.72 0.00 0.00 179.24 180.26 2vga s ASN 10 N -6.62 6.35 -0.02 6.45 6.03 -1.26 -5.17 114.94 120.71 2vga s ASN 10 Ca -0.09 -1.60 -0.05 0.00 -1.03 0.00 0.00 52.86 50.10 2vga s ASN 10 Cb 0.17 -2.35 -0.04 0.00 -3.03 0.00 0.00 41.25 35.99 2vga s ASN 10 CO 0.75 -1.14 0.21 -0.54 -2.03 0.00 0.00 177.10 174.35 2vga s LYS 11 N 2.83 3.49 0.02 3.55 1.02 -1.26 -3.03 119.74 126.36 2vga s LYS 11 Ca 0.21 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.03 2vga s LYS 11 Cb -0.16 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 2vga s LYS 11 CO 0.02 0.68 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.83 2vga s GLU 12 N -1.76 2.42 -0.17 1.68 0.41 0.20 -4.60 118.70 116.89 2vga s GLU 12 Ca 0.26 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 54.02 2vga s GLU 12 Cb -0.13 -2.43 0.02 0.00 -1.78 0.00 0.00 34.13 29.82 2vga s GLU 12 CO 0.16 0.58 -0.18 0.71 -0.49 0.00 0.00 175.26 176.04 2vga s TYR 13 N -1.02 2.56 0.22 1.61 2.02 -1.26 -0.60 117.35 120.87 2vga s TYR 13 Ca 0.17 -1.49 0.11 0.00 -0.37 0.00 0.00 57.07 55.50 2vga s TYR 13 Cb -0.11 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2vga s TYR 13 CO 0.08 -0.76 -0.22 -1.64 -1.57 0.00 0.00 175.55 171.44 2vga s MET 14 N 1.35 1.55 0.35 -0.62 -1.94 -1.05 -1.20 119.30 117.75 2vga s MET 14 Ca 0.05 -1.59 0.08 0.00 -1.71 0.00 0.00 55.69 52.51 2vga s MET 14 Cb -0.13 -1.77 -0.07 0.00 2.01 0.00 0.00 34.83 34.87 2vga s MET 14 CO -0.12 0.37 -0.05 0.20 -0.01 0.00 0.00 175.02 175.40 2vga s GLY 15 N -2.94 2.22 -0.14 -0.03 0.00 0.53 -4.78 107.32 102.18 2vga s GLY 15 Ca 0.23 -2.12 -0.12 0.00 0.00 0.00 0.00 44.72 42.71 2vga s GLY 15 CO 0.11 -2.01 0.37 -1.50 0.00 0.00 0.00 173.10 170.07 2vga s ILE 16 N -2.73 -0.01 -0.07 0.90 2.07 -1.26 -1.41 121.20 118.69 2vga s ILE 16 Ca 0.33 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.62 2vga s ILE 16 Cb 0.05 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.13 2vga s ILE 16 CO 0.16 0.01 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.46 2vga s GLU 17 N 0.46 1.82 -0.12 3.50 2.02 0.19 -1.92 118.70 124.65 2vga s GLU 17 Ca -0.02 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.54 2vga s GLU 17 Cb -0.04 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.71 2vga s GLU 17 CO -0.02 0.04 -0.21 0.08 0.02 0.00 0.00 175.26 175.17 2vga s VAL 18 N 0.65 1.90 -0.13 2.63 1.01 0.44 -1.21 120.40 125.70 2vga s VAL 18 Ca -0.15 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2vga s VAL 18 Cb -0.16 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2vga s VAL 18 CO 0.04 0.52 -0.09 -0.47 0.00 0.00 0.00 175.10 175.10 2vga s TYR 19 N 0.68 2.89 -0.08 5.22 5.04 0.49 -0.11 117.35 131.47 2vga s TYR 19 Ca -0.11 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.10 2vga s TYR 19 Cb -0.16 -1.86 0.02 0.00 0.35 0.00 0.00 41.96 40.31 2vga s TYR 19 CO 0.02 -0.08 -0.12 0.08 -1.34 0.00 0.00 175.55 174.11 2vga s VAL 20 N 0.17 1.20 -0.11 3.14 1.01 -0.15 -1.57 120.40 124.10 2vga s VAL 20 Ca -0.05 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2vga s VAL 20 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2vga s VAL 20 CO 0.04 0.38 -0.21 -0.70 0.00 0.00 0.00 175.10 174.61 2vga s GLU 21 N 0.92 2.79 -0.06 2.72 2.12 0.65 -0.82 118.70 127.04 2vga s GLU 21 Ca -0.09 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.44 2vga s GLU 21 Cb -0.15 -2.20 0.03 0.00 0.26 0.00 0.00 34.13 32.07 2vga s GLU 21 CO 0.00 0.07 0.02 0.00 -0.54 0.00 0.00 175.26 174.82 2vga s ALA 22 N 0.60 0.52 -0.20 6.30 0.00 -0.08 -0.54 121.76 128.36 2vga s ALA 22 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 2vga s ALA 22 Cb -0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2vga s ALA 22 CO 0.04 -0.42 0.39 0.99 0.00 0.00 0.00 175.76 176.75 2vga s THR 23 N 1.93 5.20 0.54 0.00 2.01 -0.37 -0.76 115.64 124.19 2vga s THR 23 Ca 0.03 0.69 0.04 0.00 0.31 0.00 0.00 61.69 62.76 2vga s THR 23 Cb -0.12 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.71 2vga s THR 23 CO -0.04 0.25 0.75 -0.76 -0.69 0.00 0.00 174.62 174.13 2vga s LEU 24 N 1.31 3.33 0.00 4.42 1.43 0.78 0.31 118.68 130.26 2vga s LEU 24 Ca 0.19 -0.31 0.27 0.00 -1.03 0.00 0.00 54.13 53.24 2vga s LEU 24 Cb -0.15 -2.50 0.80 0.00 0.03 0.00 0.00 46.19 44.38 2vga s LEU 24 CO 0.08 -1.16 1.60 -0.90 0.23 0.00 0.00 176.35 176.20 2vga n ASP 25 N -2.25 1.75 -4.24 2.29 5.68 0.15 -4.62 116.55 115.31 2vga n ASP 25 Ca 0.10 -1.51 -0.13 0.00 -0.50 0.00 0.00 54.79 52.74 2vga n ASP 25 Cb 0.60 0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.52 2vga n ASP 25 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2vga s GLU 26 N -2.09 1.09 0.70 0.11 2.02 -1.26 -5.10 118.70 114.16 2vga s GLU 26 Ca 0.33 -1.51 -0.15 0.00 0.02 0.00 0.00 54.97 53.66 2vga s GLU 26 Cb 0.20 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.13 2vga s GLU 26 CO 0.36 -0.09 1.17 -2.14 0.02 0.00 0.00 175.26 174.59 2vga s PRO 27 N -3.88 2.40 0.43 0.39 0.02 -1.26 -4.71 135.00 128.38 2vga s PRO 27 Ca 0.22 1.63 -0.23 0.00 0.02 0.00 0.00 61.00 62.64 2vga s PRO 27 Cb 0.05 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 2vga s PRO 27 CO 0.03 -1.61 1.08 -0.51 -0.33 0.00 0.00 177.00 175.66 2vga s LEU 28 N -5.01 4.07 0.16 -5.54 1.43 -0.64 -4.92 118.68 108.23 2vga s LEU 28 Ca 0.72 2.11 -0.08 0.00 -1.03 0.00 0.00 54.13 55.84 2vga s LEU 28 Cb -0.26 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 2vga s LEU 28 CO 0.43 -0.65 0.45 -0.13 0.23 0.00 0.00 176.35 176.69 2vga s ARG 29 N -2.63 3.74 -0.18 1.70 0.52 -1.26 -0.90 118.95 119.95 2vga s ARG 29 Ca 0.60 0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 55.66 2vga s ARG 29 Cb -0.23 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 2vga s ARG 29 CO 0.29 0.44 1.49 1.14 0.02 0.00 0.00 175.30 178.68 2vga s GLN 30 N -2.48 4.02 0.29 3.54 -2.07 0.02 -4.61 119.66 118.37 2vga s GLN 30 Ca 0.41 1.74 0.05 0.00 -1.82 0.00 0.00 55.36 55.74 2vga s GLN 30 Cb -0.12 -3.93 -0.06 0.00 -1.09 0.00 0.00 33.01 27.80 2vga s GLN 30 CO 0.21 -1.01 -0.00 0.95 -1.32 0.00 0.00 175.29 174.12 2vga s THR 31 N 4.37 1.36 -0.15 3.63 -4.23 -1.26 -4.60 115.64 114.76 2vga s THR 31 Ca 0.66 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.95 2vga s THR 31 Cb -0.25 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 2vga s THR 31 CO 0.25 -0.19 0.41 0.28 -0.54 0.00 0.00 174.62 174.83 2vga s THR 32 N -3.19 5.22 0.16 3.99 -1.32 -1.26 -4.86 115.64 114.37 2vga s THR 32 Ca 0.32 0.80 -0.30 0.00 -1.21 0.00 0.00 61.69 61.30 2vga s THR 32 Cb 0.06 -3.75 -0.07 0.00 -1.51 0.00 0.00 72.50 67.23 2vga s THR 32 CO 0.13 0.33 1.09 0.00 -2.21 0.00 0.00 174.62 173.96 2vga s GLU 34 N -0.19 0.45 0.13 0.00 2.12 -0.71 -4.99 118.70 115.51 2vga s GLU 34 Ca 0.50 0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.96 2vga s GLU 34 Cb -0.29 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 2vga s GLU 34 CO 0.34 -0.15 -0.19 -1.54 -0.54 0.00 0.00 175.26 173.18 2vga s SER 35 N 1.17 2.52 -0.03 -1.70 1.04 -1.26 -0.14 113.70 115.31 2vga s SER 35 Ca -0.07 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2vga s SER 35 Cb -0.13 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.88 2vga s SER 35 CO -0.02 -0.01 0.00 -0.54 0.98 0.00 0.00 173.24 173.65 2vga s LYS 36 N -2.40 0.26 -0.19 4.02 1.02 -0.20 -4.99 119.74 117.26 2vga s LYS 36 Ca 0.11 0.09 -0.07 0.00 0.02 0.00 0.00 55.97 56.11 2vga s LYS 36 Cb -0.07 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 2vga s LYS 36 CO 0.05 -0.13 0.05 0.42 -0.92 0.00 0.00 175.35 174.81 2vga s ILE 37 N 1.00 4.59 0.00 2.17 1.01 -1.26 -0.43 121.20 128.28 2vga s ILE 37 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2vga s ILE 37 Cb -0.13 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2vga s ILE 37 CO -0.02 0.45 0.00 0.00 0.00 0.00 0.00 174.94 175.37 2vga n HIS 38 N 3.69 0.00 -2.36 3.97 1.44 -0.44 -4.97 115.22 116.55 2vga n HIS 38 Ca -0.17 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.12 2vga n HIS 38 Cb 0.52 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.61 2vga n HIS 38 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2vga s LYS 39 N -1.56 4.08 -1.46 -1.40 2.20 -1.26 -2.96 119.74 117.38 2vga s LYS 39 Ca 0.00 1.57 -0.10 0.00 -0.36 0.00 0.00 55.97 57.09 2vga s LYS 39 Cb 0.00 -3.85 0.05 0.00 -1.51 0.00 0.00 37.83 32.52 2vga s LYS 39 CO 0.00 -0.91 0.87 0.66 -0.36 0.00 0.00 175.35 175.61 2vga n TYR 40 N 7.16 -2.29 -3.93 4.03 4.01 -1.26 -4.94 117.16 119.93 2vga n TYR 40 Ca 0.15 0.77 0.02 0.00 -0.16 0.00 0.00 57.90 58.68 2vga n TYR 40 Cb 0.45 -4.21 0.01 0.00 -0.31 0.00 0.00 39.34 35.28 2vga n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vga n GLY 41 N -1.65 0.41 3.55 2.72 0.00 -1.16 -0.64 105.19 108.41 2vga n GLY 41 Ca -0.01 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 2vga n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vga s ALA 42 N -1.53 -1.92 0.08 4.61 0.00 -0.46 -1.33 121.76 121.19 2vga s ALA 42 Ca 0.16 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 2vga s ALA 42 Cb -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 2vga s ALA 42 CO -0.00 -0.58 0.17 -1.54 0.00 0.00 0.00 175.76 173.81 2vga s SER 43 N -2.10 0.13 -0.12 0.00 1.04 0.43 -0.83 113.70 112.25 2vga s SER 43 Ca 0.05 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 2vga s SER 43 Cb -0.01 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.47 2vga s SER 43 CO -0.06 -0.68 0.30 0.54 0.98 0.00 0.00 173.24 174.32 2vga s VAL 44 N -3.61 -0.02 -0.30 5.02 0.11 -0.16 -1.03 120.40 120.40 2vga s VAL 44 Ca 0.03 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 2vga s VAL 44 Cb 0.04 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2vga s VAL 44 CO -0.10 0.04 0.09 -0.55 -3.33 0.00 0.00 175.10 171.25 2vga s SER 45 N 0.96 5.20 -0.28 3.54 0.15 0.81 -1.04 113.70 123.04 2vga s SER 45 Ca -0.07 -0.73 -0.23 0.00 0.70 0.00 0.00 55.95 55.63 2vga s SER 45 Cb -0.07 -1.90 0.11 0.00 -1.71 0.00 0.00 66.02 62.45 2vga s SER 45 CO -0.07 -0.21 0.92 0.21 1.20 0.00 0.00 173.24 175.29 2vga s ASN 46 N 1.51 -0.58 -0.10 5.45 3.04 -0.63 -1.74 114.94 121.89 2vga s ASN 46 Ca 0.02 1.06 0.00 0.00 0.04 0.00 0.00 52.86 53.99 2vga s ASN 46 Cb -0.17 1.12 0.00 0.00 -1.54 0.00 0.00 41.25 40.66 2vga s ASN 46 CO 0.03 -0.18 0.00 0.61 -3.04 0.00 0.00 177.10 174.52 2vga n GLY 47 N 2.79 0.39 0.00 1.21 0.00 -1.26 -2.37 105.19 105.95 2vga n GLY 47 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2vga n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vga n GLY 48 N -1.52 0.76 2.88 -0.02 0.00 -1.26 -4.42 105.19 101.60 2vga n GLY 48 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2vga n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vga s LEU 49 N 0.00 1.45 -0.20 0.99 2.96 -1.00 -0.63 118.68 122.25 2vga s LEU 49 Ca 0.00 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.63 2vga s LEU 49 Cb 0.00 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 2vga s LEU 49 CO 0.00 -0.04 0.55 0.21 -1.32 0.00 0.00 176.35 175.75 2vga s ASN 50 N 0.68 6.59 -0.21 3.68 3.84 0.08 -1.61 114.94 128.00 2vga s ASN 50 Ca -0.08 0.71 -0.03 0.00 0.21 0.00 0.00 52.86 53.66 2vga s ASN 50 Cb -0.11 -2.31 -0.01 0.00 -0.55 0.00 0.00 41.25 38.27 2vga s ASN 50 CO -0.00 -0.21 -0.06 -0.63 -2.79 0.00 0.00 177.10 173.41 2vga s ILE 51 N 1.76 3.33 -0.09 -5.21 1.01 -0.20 -1.04 121.20 120.75 2vga s ILE 51 Ca 0.25 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2vga s ILE 51 Cb -0.16 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 2vga s ILE 51 CO 0.10 0.44 -0.20 -0.55 0.00 0.00 0.00 174.94 174.73 2vga s SER 52 N 1.30 3.45 -0.17 3.58 0.15 -0.19 -0.99 113.70 120.83 2vga s SER 52 Ca 0.04 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.25 2vga s SER 52 Cb -0.14 -1.25 0.02 0.00 -1.71 0.00 0.00 66.02 62.93 2vga s SER 52 CO -0.02 0.20 -0.18 -0.69 1.20 0.00 0.00 173.24 173.75 2vga s VAL 53 N 0.09 1.88 -0.09 4.45 1.01 -0.01 -0.66 120.40 127.07 2vga s VAL 53 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2vga s VAL 53 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2vga s VAL 53 CO 0.06 0.50 -0.13 -1.81 0.00 0.00 0.00 175.10 173.72 2vga s ASP 54 N 1.36 4.10 -0.39 3.32 1.01 0.06 -1.36 116.67 124.76 2vga s ASP 54 Ca 0.05 -0.24 -0.13 0.00 0.71 0.00 0.00 52.55 52.93 2vga s ASP 54 Cb -0.13 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.56 2vga s ASP 54 CO -0.12 0.26 0.26 -0.76 0.21 0.00 0.00 175.17 175.02 2vga s LEU 55 N -0.20 4.93 -0.26 1.23 1.43 0.18 -0.35 118.68 125.65 2vga s LEU 55 Ca 0.01 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 2vga s LEU 55 Cb -0.13 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2vga s LEU 55 CO 0.03 -0.41 0.14 -0.76 0.23 0.00 0.00 176.35 175.57 2vga s LEU 56 N 1.64 3.80 -1.46 1.79 1.43 0.19 -4.36 118.68 121.71 2vga s LEU 56 Ca 0.04 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 2vga s LEU 56 Cb -0.19 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.05 2vga s LEU 56 CO 0.09 -0.03 0.93 0.59 0.23 0.00 0.00 176.35 178.16 2vga n ASN 57 N 4.89 -4.02 -0.02 2.29 3.02 -1.26 -0.88 115.26 119.28 2vga n ASN 57 Ca -0.15 -0.77 -0.01 0.00 -0.03 0.00 0.00 54.58 53.62 2vga n ASN 57 Cb 0.52 -4.01 -0.05 0.00 -0.61 0.00 0.00 39.78 35.62 2vga n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vga n PHE 59 N -2.08 -2.72 -4.04 0.00 3.72 -1.26 -4.87 117.46 106.22 2vga n PHE 59 Ca -0.08 0.99 -0.12 0.00 -0.05 0.00 0.00 57.45 58.19 2vga n PHE 59 Cb 0.54 -4.83 -0.12 0.00 -0.94 0.00 0.00 39.48 34.13 2vga n PHE 59 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2vga s LEU 60 N -7.23 2.19 0.05 4.37 1.43 -1.26 -4.80 118.68 113.42 2vga s LEU 60 Ca 0.55 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 2vga s LEU 60 Cb -0.25 -0.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 2vga s LEU 60 CO 0.75 -0.16 -0.26 0.20 0.23 0.00 0.00 176.35 177.11 2vga s ASN 61 N -1.15 3.09 0.44 2.29 0.01 -1.26 -4.23 114.94 114.13 2vga s ASN 61 Ca -0.09 -0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 51.30 2vga s ASN 61 Cb -0.08 -0.27 -0.08 0.00 0.41 0.00 0.00 41.25 41.23 2vga s ASN 61 CO -0.00 0.24 0.89 -0.36 -1.51 0.00 0.00 177.10 176.36 2vga s PHE 62 N -0.83 3.41 -0.01 2.20 0.08 -1.26 -4.63 117.98 116.94 2vga s PHE 62 Ca 0.11 1.37 0.02 0.00 0.12 0.00 0.00 56.93 58.56 2vga s PHE 62 Cb -0.10 -2.69 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 2vga s PHE 62 CO 0.02 -0.18 0.03 0.72 -0.10 0.00 0.00 175.22 175.71 2vga n HIS 63 N -1.11 0.00 -3.87 0.36 8.25 0.99 -4.93 115.22 114.91 2vga n HIS 63 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 2vga n HIS 63 Cb 0.54 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 2vga n HIS 63 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2vga s THR 64 N -2.10 0.07 -0.10 1.59 -1.32 -0.18 -4.95 115.64 108.65 2vga s THR 64 Ca -0.01 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 2vga s THR 64 Cb 0.01 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.62 2vga s THR 64 CO 0.09 -0.34 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.35 2vga s VAL 65 N -1.21 1.21 0.20 5.08 1.01 -1.26 -1.37 120.40 124.06 2vga s VAL 65 Ca -0.13 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.47 2vga s VAL 65 Cb -0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2vga s VAL 65 CO 0.01 0.39 -0.04 -0.83 0.00 0.00 0.00 175.10 174.63 2vga s GLY 66 N 1.17 1.71 0.13 4.51 0.00 -0.41 -3.46 107.32 110.97 2vga s GLY 66 Ca -0.04 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.23 2vga s GLY 66 CO -0.03 -1.52 -0.09 -1.34 0.00 0.00 0.00 173.10 170.12 2vga s VAL 67 N -1.89 1.02 0.00 1.40 -7.23 0.22 -1.34 120.40 112.58 2vga s VAL 67 Ca 0.28 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2vga s VAL 67 Cb -0.08 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 2vga s VAL 67 CO 0.18 -0.76 0.12 -0.47 -0.31 0.00 0.00 175.10 173.85 2vga s TYR 68 N -3.32 0.06 -0.03 2.82 6.14 -0.55 -0.29 117.35 122.17 2vga s TYR 68 Ca 0.14 -0.16 0.01 0.00 0.64 0.00 0.00 57.07 57.70 2vga s TYR 68 Cb 0.03 -0.06 0.02 0.00 0.42 0.00 0.00 41.96 42.37 2vga s TYR 68 CO -0.01 -0.27 -0.03 0.95 0.64 0.00 0.00 175.55 176.83 2vga s THR 69 N -1.36 0.38 -0.15 4.34 -4.23 -1.26 -0.40 115.64 112.97 2vga s THR 69 Ca -0.15 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.25 2vga s THR 69 Cb -0.08 -0.43 0.06 0.00 1.34 0.00 0.00 72.50 73.40 2vga s THR 69 CO 0.01 0.18 0.33 0.21 -0.54 0.00 0.00 174.62 174.82 2vga s ASN 70 N 0.85 -0.22 0.77 3.99 2.47 -0.53 -5.02 114.94 117.26 2vga s ASN 70 Ca -0.10 0.74 0.00 0.00 0.42 0.00 0.00 52.86 53.92 2vga s ASN 70 Cb -0.13 0.74 0.00 0.00 -1.45 0.00 0.00 41.25 40.41 2vga s ASN 70 CO -0.00 -0.20 0.00 0.54 -3.72 0.00 0.00 177.10 173.71 2vga n ARG 71 N 4.66 0.00 -0.06 0.43 5.12 -1.26 -0.37 116.66 125.18 2vga n ARG 71 Ca -0.18 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.77 2vga n ARG 71 Cb 0.52 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.87 2vga n ARG 71 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2vga n ASP 72 N 7.03 1.66 -4.18 0.55 5.68 -1.26 -1.62 116.55 124.40 2vga n ASP 72 Ca 0.00 -2.19 -0.31 0.00 -0.50 0.00 0.00 54.79 51.79 2vga n ASP 72 Cb 0.00 -0.15 -0.17 0.00 -1.14 0.00 0.00 41.12 39.66 2vga n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2vga s THR 73 N -1.34 1.89 -0.08 2.12 2.01 0.50 -0.15 115.64 120.58 2vga s THR 73 Ca 0.10 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 2vga s THR 73 Cb 0.08 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2vga s THR 73 CO 0.01 0.52 0.12 0.68 -0.69 0.00 0.00 174.62 175.26 2vga s VAL 74 N 0.41 5.24 0.02 3.82 -7.23 0.06 -1.45 120.40 121.27 2vga s VAL 74 Ca -0.18 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 2vga s VAL 74 Cb -0.18 -3.32 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 2vga s VAL 74 CO 0.08 0.54 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.91 2vga s TYR 75 N -1.08 1.64 0.01 2.82 2.02 0.47 -0.90 117.35 122.33 2vga s TYR 75 Ca 0.18 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2vga s TYR 75 Cb -0.12 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2vga s TYR 75 CO 0.07 0.03 -0.04 0.00 -1.57 0.00 0.00 175.55 174.04 2vga s ALA 76 N -0.63 0.33 -0.17 3.71 0.00 0.00 -1.47 121.76 123.52 2vga s ALA 76 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 2vga s ALA 76 Cb -0.08 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2vga s ALA 76 CO 0.01 0.01 -0.02 0.21 0.00 0.00 0.00 175.76 175.97 2vga s LYS 77 N -0.65 1.11 -0.20 0.00 2.20 -0.45 -0.97 119.74 120.77 2vga s LYS 77 Ca -0.04 -0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 54.97 2vga s LYS 77 Cb -0.05 -2.00 -0.05 0.00 -1.51 0.00 0.00 37.83 34.22 2vga s LYS 77 CO -0.00 -0.51 0.23 -0.06 -0.36 0.00 0.00 175.35 174.65 2vga s PHE 78 N 1.71 3.39 0.12 4.03 0.08 0.84 -1.28 117.98 126.87 2vga s PHE 78 Ca -0.00 0.43 -0.08 0.00 0.12 0.00 0.00 56.93 57.40 2vga s PHE 78 Cb -0.16 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2vga s PHE 78 CO -0.07 0.16 0.21 0.00 -0.10 0.00 0.00 175.22 175.41 2vga s ALA 79 N 0.76 -0.03 0.29 5.36 0.00 -0.47 -0.42 121.76 127.25 2vga s ALA 79 Ca 0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2vga s ALA 79 Cb -0.13 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2vga s ALA 79 CO 0.03 -0.56 0.53 -1.54 0.00 0.00 0.00 175.76 174.23 2vga s SER 80 N -2.92 6.41 0.06 0.00 1.04 -0.81 -0.01 113.70 117.47 2vga s SER 80 Ca 0.11 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2vga s SER 80 Cb 0.05 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2vga s SER 80 CO -0.06 -0.20 0.03 0.18 0.98 0.00 0.00 173.24 174.18 2vga n LEU 81 N -1.06 0.00 -4.52 2.42 4.77 -1.26 -4.87 117.00 112.48 2vga n LEU 81 Ca -0.03 -0.35 -0.64 0.00 -0.03 0.00 0.00 56.01 54.96 2vga n LEU 81 Cb 0.54 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 2vga n LEU 81 CO 0.48 -0.22 1.42 -0.67 -1.33 0.00 0.00 177.39 177.07 2vga n ASP 82 N -1.70 1.03 0.11 -1.43 2.03 -1.26 -4.81 116.55 110.53 2vga n ASP 82 Ca -0.01 0.95 0.13 0.00 0.52 0.00 0.00 54.79 56.38 2vga n ASP 82 Cb 0.08 -0.90 0.42 0.00 -0.72 0.00 0.00 41.12 40.00 2vga n ASP 82 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2vga n PRO 83 N 5.63 0.26 -0.00 -0.67 -0.04 -1.26 -2.54 135.00 136.38 2vga n PRO 83 Ca 0.42 0.26 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 2vga n PRO 83 Cb -0.05 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.47 2vga n PRO 83 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2vga n TRP 84 N -2.28 0.00 -0.05 0.54 8.01 -1.26 -4.40 117.44 118.00 2vga n TRP 84 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2vga n TRP 84 Cb 0.39 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 2vga n TRP 84 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2vga n THR 85 N -1.52 0.14 -4.81 -0.99 -2.24 -1.20 -5.04 114.28 98.63 2vga n THR 85 Ca 0.04 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 2vga n THR 85 Cb 0.33 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 2vga n THR 85 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vga s THR 86 N -0.14 3.20 -0.08 4.28 2.01 -1.05 -5.07 115.64 118.80 2vga s THR 86 Ca 0.00 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2vga s THR 86 Cb 0.00 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2vga s THR 86 CO 0.00 0.58 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.88 2vga s GLU 87 N -0.54 2.90 0.39 4.92 0.41 -1.26 -3.43 118.70 122.09 2vga s GLU 87 Ca 0.07 -0.46 -0.23 0.00 -0.41 0.00 0.00 54.97 53.95 2vga s GLU 87 Cb -0.12 -2.72 -0.11 0.00 -1.78 0.00 0.00 34.13 29.41 2vga s GLU 87 CO 0.02 0.69 0.95 -1.25 -0.49 0.00 0.00 175.26 175.17 2vga s PRO 88 N -0.87 4.37 0.12 0.39 0.04 -1.26 -5.02 135.00 132.77 2vga s PRO 88 Ca 0.13 1.20 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 2vga s PRO 88 Cb -0.11 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 2vga s PRO 88 CO 0.02 0.09 1.40 0.42 0.04 0.00 0.00 177.00 178.97 2vga s ILE 89 N -1.96 3.25 -1.31 0.56 1.01 -1.22 -4.93 121.20 116.60 2vga s ILE 89 Ca 0.57 0.91 -0.12 0.00 0.00 0.00 0.00 60.65 62.01 2vga s ILE 89 Cb -0.13 -3.58 0.13 0.00 0.01 0.00 0.00 42.46 38.89 2vga s ILE 89 CO 0.17 0.07 1.86 0.59 0.00 0.00 0.00 174.94 177.63 2vga n ASN 90 N 3.90 4.81 -4.51 3.58 3.02 -1.26 -4.93 115.26 119.85 2vga n ASN 90 Ca 0.11 -3.00 -0.24 0.00 -0.03 0.00 0.00 54.58 51.43 2vga n ASN 90 Cb 0.42 -1.57 -0.09 0.00 -0.61 0.00 0.00 39.78 37.92 2vga n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vga s SER 91 N 2.21 3.81 0.04 6.41 1.04 -1.26 -2.52 113.70 123.43 2vga s SER 91 Ca 0.44 -0.96 -0.27 0.00 0.48 0.00 0.00 55.95 55.64 2vga s SER 91 Cb 0.08 -0.42 0.09 0.00 0.10 0.00 0.00 66.02 65.86 2vga s SER 91 CO -0.01 0.01 0.78 0.00 0.98 0.00 0.00 173.24 175.00 2vga s MET 92 N -3.55 0.98 0.91 4.02 0.23 0.23 -4.96 119.30 117.16 2vga s MET 92 Ca 0.31 -0.31 -0.12 0.00 -1.03 0.00 0.00 55.69 54.54 2vga s MET 92 Cb -0.05 0.45 0.14 0.00 -1.53 0.00 0.00 34.83 33.84 2vga s MET 92 CO 0.16 -0.42 1.10 0.95 -2.03 0.00 0.00 175.02 174.78 2vga s THR 93 N -3.13 2.47 0.22 3.16 -4.23 -1.26 0.61 115.64 113.48 2vga s THR 93 Ca 0.02 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.65 2vga s THR 93 Cb -0.01 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.14 2vga s THR 93 CO -0.09 -0.20 1.64 -0.74 -0.54 0.00 0.00 174.62 174.69 2vga h HIS 94 N -1.55 0.83 -0.31 3.99 2.76 -1.90 -1.85 115.15 117.12 2vga h HIS 94 Ca -0.51 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 57.43 2vga h HIS 94 Cb 1.30 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 2vga h HIS 94 CO 0.37 0.90 0.01 -0.44 -1.30 0.00 0.00 177.93 177.47 2vga h ASP 95 N 0.64 0.44 0.31 3.26 3.32 -1.93 -0.71 116.42 121.74 2vga h ASP 95 Ca 0.09 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 2vga h ASP 95 Cb 0.74 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2vga h ASP 95 CO 0.06 0.50 -0.62 0.44 -1.72 0.00 0.00 179.24 177.90 2vga h ASP 96 N 0.46 0.35 -0.16 6.45 5.19 -1.87 -2.60 116.42 124.24 2vga h ASP 96 Ca 0.10 -0.20 -0.09 0.00 -0.62 0.00 0.00 57.03 56.22 2vga h ASP 96 Cb 0.29 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 2vga h ASP 96 CO 0.01 0.88 -0.19 0.25 -3.12 0.00 0.00 179.24 177.07 2vga h LEU 97 N 0.22 0.57 -0.25 1.55 5.85 -0.49 0.31 115.31 123.08 2vga h LEU 97 Ca -0.01 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2vga h LEU 97 Cb 1.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2vga h LEU 97 CO 0.10 0.77 0.10 0.58 -0.34 0.00 0.00 178.44 179.66 2vga h VAL 98 N 0.52 1.17 -0.81 1.05 2.07 -1.07 -0.16 116.25 119.02 2vga h VAL 98 Ca 0.08 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2vga h VAL 98 Cb 0.62 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2vga h VAL 98 CO 0.04 0.17 0.47 0.50 0.02 0.00 0.00 177.57 178.77 2vga h LYS 99 N 0.26 1.11 0.09 1.57 3.64 -1.29 -1.53 116.57 120.43 2vga h LYS 99 Ca 0.08 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2vga h LYS 99 Cb 0.17 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2vga h LYS 99 CO -0.01 0.80 -0.29 1.25 -2.27 0.00 0.00 179.45 178.94 2vga h LEU 100 N 1.12 -0.84 -0.99 5.20 6.46 -0.57 0.32 115.31 126.01 2vga h LEU 100 Ca 0.29 0.10 0.18 0.00 -0.12 0.00 0.00 57.88 58.33 2vga h LEU 100 Cb -0.01 0.32 -0.10 0.00 -0.73 0.00 0.00 40.66 40.14 2vga h LEU 100 CO -0.05 -0.37 0.60 0.74 -0.62 0.00 0.00 178.44 178.74 2vga h THR 101 N -0.49 0.72 0.00 1.05 2.02 -0.64 -0.71 112.91 114.86 2vga h THR 101 Ca 0.04 -0.26 -0.20 0.00 0.77 0.00 0.00 66.41 66.75 2vga h THR 101 Cb 0.53 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2vga h THR 101 CO -0.19 0.14 -1.54 -0.62 0.37 0.00 0.00 175.52 173.69 2vga n GLU 102 N -4.77 0.63 0.00 6.66 1.02 -0.61 -4.69 120.64 118.88 2vga n GLU 102 Ca 0.23 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2vga n GLU 102 Cb 0.55 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2vga n GLU 102 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2vga n GLU 103 N -2.91 2.41 -1.79 3.49 1.02 0.11 -5.07 120.64 117.90 2vga n GLU 103 Ca -0.12 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.58 2vga n GLU 103 Cb 0.90 -0.25 -0.03 0.00 -0.02 0.00 0.00 31.44 32.04 2vga n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vga s ILE 105 N 1.08 1.29 -0.43 0.00 -1.09 -0.06 -4.78 121.20 117.22 2vga s ILE 105 Ca 0.73 -0.65 -0.10 0.00 -2.23 0.00 0.00 60.65 58.40 2vga s ILE 105 Cb -0.48 -1.10 0.08 0.00 -1.58 0.00 0.00 42.46 39.38 2vga s ILE 105 CO 0.33 0.37 0.28 -0.69 -1.23 0.00 0.00 174.94 174.00 2vga s VAL 106 N -0.03 4.32 -0.43 2.92 1.01 -0.24 -0.64 120.40 127.32 2vga s VAL 106 Ca -0.01 -1.39 -0.14 0.00 0.00 0.00 0.00 61.98 60.43 2vga s VAL 106 Cb -0.10 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2vga s VAL 106 CO 0.01 -0.53 0.32 -0.62 0.00 0.00 0.00 175.10 174.28 2vga s ASP 107 N 2.19 6.05 -0.13 3.32 2.15 0.52 -1.78 116.67 129.00 2vga s ASP 107 Ca 0.03 -1.09 -0.03 0.00 0.43 0.00 0.00 52.55 51.90 2vga s ASP 107 Cb -0.23 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 2vga s ASP 107 CO 0.02 -0.51 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.85 2vga s ILE 108 N 1.64 4.01 -0.06 4.11 1.01 0.63 -0.76 121.20 131.78 2vga s ILE 108 Ca 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 2vga s ILE 108 Cb -0.21 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2vga s ILE 108 CO 0.08 0.53 -0.02 -0.47 0.00 0.00 0.00 174.94 175.06 2vga s TYR 109 N -0.12 0.72 -0.11 3.97 5.04 0.17 -0.82 117.35 126.18 2vga s TYR 109 Ca 0.03 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.44 2vga s TYR 109 Cb -0.13 -0.73 -0.03 0.00 0.35 0.00 0.00 41.96 41.42 2vga s TYR 109 CO 0.02 -0.26 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.44 2vga s LEU 110 N 1.42 3.37 -0.08 6.97 1.43 0.20 -1.02 118.68 130.98 2vga s LEU 110 Ca -0.03 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2vga s LEU 110 Cb -0.13 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2vga s LEU 110 CO -0.03 0.29 -0.04 -0.75 0.23 0.00 0.00 176.35 176.05 2vga s LYS 111 N -0.33 0.99 0.12 1.70 2.47 -0.21 -4.15 119.74 120.33 2vga s LYS 111 Ca 0.06 -0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 2vga s LYS 111 Cb -0.12 -1.16 -0.07 0.00 -1.46 0.00 0.00 37.83 35.02 2vga s LYS 111 CO 0.02 -0.23 1.21 0.00 0.16 0.00 0.00 175.35 176.51 2vga n GLU 113 N 3.31 1.45 -1.89 0.00 0.28 0.20 -4.91 120.64 119.07 2vga n GLU 113 Ca 0.07 -2.92 -0.42 0.00 -0.16 0.00 0.00 57.16 53.73 2vga n GLU 113 Cb 0.45 -1.04 -0.03 0.00 1.43 0.00 0.00 31.44 32.25 2vga n GLU 113 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2vga s VAL 114 N -2.62 2.55 -0.27 3.84 1.01 -1.14 -4.56 120.40 119.20 2vga s VAL 114 Ca 0.24 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2vga s VAL 114 Cb 0.39 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2vga s VAL 114 CO -0.04 0.03 -0.07 -0.62 0.00 0.00 0.00 175.10 174.40 2vga s ASP 115 N 1.29 4.54 0.00 3.32 3.68 -1.26 -4.98 116.67 123.27 2vga s ASP 115 Ca 0.71 -1.28 0.24 0.00 2.13 0.00 0.00 52.55 54.35 2vga s ASP 115 Cb -0.45 -1.61 1.16 0.00 -1.45 0.00 0.00 42.92 40.58 2vga s ASP 115 CO 0.32 -0.20 1.79 0.29 0.13 0.00 0.00 175.17 177.50 2vga n LYS 116 N 4.52 0.25 0.00 4.34 4.76 -1.26 -2.45 118.16 128.32 2vga n LYS 116 Ca -0.14 0.07 0.15 0.00 -2.87 0.00 0.00 58.31 55.52 2vga n LYS 116 Cb 0.43 -1.50 0.82 0.00 -1.84 0.00 0.00 35.03 32.94 2vga n LYS 116 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2vga n THR 117 N -1.35 0.00 -4.78 -0.18 -2.24 -1.26 -4.76 114.28 99.72 2vga n THR 117 Ca 0.10 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 2vga n THR 117 Cb 0.22 -0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 2vga n THR 117 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2vga s LYS 118 N -2.02 2.90 0.84 -0.78 3.01 -1.03 -5.13 119.74 117.54 2vga s LYS 118 Ca 0.44 -0.66 -0.12 0.00 -1.01 0.00 0.00 55.97 54.63 2vga s LYS 118 Cb 0.22 -2.53 0.09 0.00 -1.01 0.00 0.00 37.83 34.60 2vga s LYS 118 CO 0.36 0.47 1.10 0.34 0.51 0.00 0.00 175.35 178.13 2vga s ASP 119 N -0.32 4.12 0.40 2.83 -1.08 -1.26 -4.72 116.67 116.63 2vga s ASP 119 Ca 0.03 1.32 -0.26 0.00 -0.52 0.00 0.00 52.55 53.13 2vga s ASP 119 Cb -0.13 -2.03 -0.09 0.00 -1.46 0.00 0.00 42.92 39.22 2vga s ASP 119 CO 0.02 -2.21 1.27 -0.36 0.52 0.00 0.00 175.17 174.42 2vga s PHE 120 N -3.11 2.89 0.22 -5.34 0.08 -1.26 -0.80 117.98 110.67 2vga s PHE 120 Ca 0.62 1.45 -0.32 0.00 0.12 0.00 0.00 56.93 58.80 2vga s PHE 120 Cb -0.15 -3.60 -0.14 0.00 -0.57 0.00 0.00 43.02 38.56 2vga s PHE 120 CO 0.55 -1.88 1.36 -1.33 -0.10 0.00 0.00 175.22 173.82 2vga n MET 121 N 0.15 1.84 -2.08 0.44 2.81 -0.08 -4.55 117.12 115.65 2vga n MET 121 Ca 0.04 0.66 -0.40 0.00 -1.81 0.00 0.00 57.70 56.18 2vga n MET 121 Cb 0.44 -2.28 -0.01 0.00 -0.71 0.00 0.00 33.22 30.66 2vga n MET 121 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2vga s LYS 122 N -0.37 4.20 -0.25 0.03 1.02 -1.26 -4.97 119.74 118.15 2vga s LYS 122 Ca 0.70 2.20 -0.03 0.00 0.02 0.00 0.00 55.97 58.86 2vga s LYS 122 Cb -0.70 -2.95 0.08 0.00 -0.52 0.00 0.00 37.83 33.75 2vga s LYS 122 CO 0.50 -0.31 0.08 0.95 -0.92 0.00 0.00 175.35 175.64 2vga s THR 123 N -1.19 0.48 0.00 2.17 -4.23 -1.26 -5.06 115.64 106.55 2vga s THR 123 Ca 0.52 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2vga s THR 123 Cb -0.39 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.26 2vga s THR 123 CO 0.52 -0.46 0.00 0.59 -0.54 0.00 0.00 174.62 174.73 2vga n ASN 124 N 5.04 0.00 -4.93 3.99 4.13 -1.26 -5.00 115.26 117.23 2vga n ASN 124 Ca -0.06 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.90 2vga n ASN 124 Cb 0.45 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.65 2vga n ASN 124 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2vga s GLY 125 N 0.00 2.08 0.06 7.41 0.00 -1.26 -5.05 107.32 110.56 2vga s GLY 125 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 44.72 43.49 2vga s GLY 125 CO 0.00 -0.87 1.63 -2.01 0.00 0.00 0.00 173.10 171.85 2vga n ASN 126 N 0.09 2.93 0.13 1.64 2.85 -1.26 -4.86 115.26 116.78 2vga n ASN 126 Ca -0.05 1.06 0.13 0.00 -0.11 0.00 0.00 54.58 55.60 2vga n ASN 126 Cb 0.52 -1.36 0.32 0.00 1.24 0.00 0.00 39.78 40.50 2vga n ASN 126 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2vga h ARG 127 N 6.65 0.00 -6.19 1.20 0.11 -1.97 -3.44 114.38 110.73 2vga h ARG 127 Ca -0.46 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.05 2vga h ARG 127 Cb 1.27 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.29 2vga h ARG 127 CO 0.89 0.00 -0.56 -0.51 0.10 0.00 0.00 179.97 179.89 2vga s LEU 128 N -4.97 3.82 0.07 0.08 1.43 -1.26 -5.14 118.68 112.70 2vga s LEU 128 Ca 0.09 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2vga s LEU 128 Cb 0.10 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2vga s LEU 128 CO 0.63 0.05 0.07 -1.59 0.23 0.00 0.00 176.35 175.74 2vga s LYS 129 N -3.20 0.71 0.33 1.70 -2.85 -1.26 -5.07 119.74 110.10 2vga s LYS 129 Ca 0.31 -1.09 0.07 0.00 -1.00 0.00 0.00 55.97 54.26 2vga s LYS 129 Cb -0.10 0.27 0.75 0.00 -2.06 0.00 0.00 37.83 36.69 2vga s LYS 129 CO 0.24 -0.18 1.84 -1.35 0.10 0.00 0.00 175.35 176.00 2vga h PRO 130 N 2.98 0.75 -0.09 1.78 0.11 -2.01 -0.46 132.00 135.07 2vga h PRO 130 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2vga h PRO 130 Cb 1.17 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2vga h PRO 130 CO 0.61 0.50 0.00 0.54 -0.21 0.00 0.00 178.00 179.44 2vga n ARG 131 N -4.61 0.82 0.07 1.05 1.74 -1.26 -1.97 116.66 112.50 2vga n ARG 131 Ca 0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.39 2vga n ARG 131 Cb 0.47 -1.04 0.13 0.00 -1.02 0.00 0.00 32.46 31.00 2vga n ARG 131 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2vga h ASP 132 N 0.02 0.00 -2.86 0.55 3.32 -1.48 -3.46 116.42 112.51 2vga h ASP 132 Ca 0.00 -0.19 -0.66 0.00 0.02 0.00 0.00 57.03 56.20 2vga h ASP 132 Cb 0.04 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 2vga h ASP 132 CO 0.00 0.09 -0.51 -0.36 -1.72 0.00 0.00 179.24 176.74 2vga s PHE 133 N -3.20 3.48 0.05 4.55 0.08 -0.83 -0.14 117.98 121.97 2vga s PHE 133 Ca 0.05 0.42 0.08 0.00 0.12 0.00 0.00 56.93 57.60 2vga s PHE 133 Cb 0.13 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 2vga s PHE 133 CO 0.74 0.62 -0.21 -1.59 -0.10 0.00 0.00 175.22 174.68 2vga s LYS 134 N -0.82 1.38 0.47 0.44 -2.85 -0.48 -4.90 119.74 112.97 2vga s LYS 134 Ca 0.13 -0.99 -0.23 0.00 -1.00 0.00 0.00 55.97 53.89 2vga s LYS 134 Cb -0.12 -1.52 -0.07 0.00 -2.06 0.00 0.00 37.83 34.06 2vga s LYS 134 CO 0.03 0.38 1.15 0.99 0.10 0.00 0.00 175.35 178.01 2vga s THR 135 N -0.86 3.16 0.23 3.79 2.01 -1.26 -1.27 115.64 121.45 2vga s THR 135 Ca 0.08 0.85 0.11 0.00 0.31 0.00 0.00 61.69 63.04 2vga s THR 135 Cb -0.09 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2vga s THR 135 CO 0.02 -0.03 -0.21 0.68 -0.69 0.00 0.00 174.62 174.39 2vga s VAL 136 N -1.59 2.31 0.86 3.82 -7.23 -0.29 -4.88 120.40 113.41 2vga s VAL 136 Ca 0.64 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 2vga s VAL 136 Cb -0.27 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.61 2vga s VAL 136 CO 0.33 -0.29 1.10 -2.84 -0.31 0.00 0.00 175.10 173.08 2vga s PRO 137 N -3.12 1.50 0.87 4.82 0.02 -1.26 -4.90 135.00 132.93 2vga s PRO 137 Ca 0.24 1.08 -0.11 0.00 0.02 0.00 0.00 61.00 62.23 2vga s PRO 137 Cb -0.06 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.76 2vga s PRO 137 CO 0.12 -2.14 1.09 -1.25 -0.33 0.00 0.00 177.00 174.48 2vga s PRO 138 N -4.85 1.48 0.35 5.54 0.04 -1.26 -4.95 135.00 131.34 2vga s PRO 138 Ca 0.63 0.81 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 2vga s PRO 138 Cb -0.19 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 2vga s PRO 138 CO 0.57 -2.08 1.23 0.45 0.04 0.00 0.00 177.00 177.21 2vga n SER 139 N -3.77 2.46 0.00 6.66 2.88 -1.26 -4.82 113.62 115.77 2vga n SER 139 Ca 0.07 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2vga n SER 139 Cb 0.55 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2vga n SER 139 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2vga n ASN 140 N 0.76 1.45 -3.61 -3.46 0.23 0.15 -4.91 115.26 105.87 2vga n ASN 140 Ca 0.06 -1.47 -0.28 0.00 -0.53 0.00 0.00 54.58 52.36 2vga n ASN 140 Cb 0.36 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.90 2vga n ASN 140 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2vga s VAL 141 N -0.47 0.13 0.29 3.53 1.01 -0.99 -4.88 120.40 119.02 2vga s VAL 141 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2vga s VAL 141 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.29 2vga s VAL 141 CO 0.00 -0.55 1.26 -0.83 0.00 0.00 0.00 175.10 174.98 2vga s GLY 142 N 2.01 2.88 -1.56 4.51 0.00 -1.26 -3.62 107.32 110.28 2vga s GLY 142 Ca 0.06 1.14 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 2vga s GLY 142 CO -0.25 1.86 0.41 1.44 0.00 0.00 0.00 173.10 176.55 2vga n SER 143 N 1.35 -5.88 0.11 1.64 7.64 -1.26 -4.90 113.62 112.33 2vga n SER 143 Ca 0.01 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 2vga n SER 143 Cb 0.43 -4.76 -0.14 0.00 -1.01 0.00 0.00 64.21 58.73 2vga n SER 143 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2vga h MET 144 N -0.93 0.56 -6.00 1.43 -1.53 -1.86 -3.44 114.93 103.15 2vga h MET 144 Ca -0.50 -0.81 -0.57 0.00 -3.44 0.00 0.00 59.70 54.38 2vga h MET 144 Cb 1.35 0.28 -0.06 0.00 -0.55 0.00 0.00 31.60 32.62 2vga h MET 144 CO 0.55 1.37 0.25 0.42 0.14 0.00 0.00 176.91 179.64 2vga s ILE 145 N -2.85 4.95 -0.11 1.77 1.01 -1.26 -1.07 121.20 123.64 2vga s ILE 145 Ca -0.08 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.15 2vga s ILE 145 Cb 0.05 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2vga s ILE 145 CO 0.93 0.13 -0.17 -1.61 0.00 0.00 0.00 174.94 174.22 2vga s GLU 146 N 1.51 3.15 -0.07 2.79 2.02 -0.73 -4.97 118.70 122.40 2vga s GLU 146 Ca 0.38 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.64 2vga s GLU 146 Cb -0.17 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.59 2vga s GLU 146 CO 0.16 0.26 -0.14 -1.17 0.02 0.00 0.00 175.26 174.39 2vga s LEU 147 N 0.20 1.70 -0.23 1.80 2.96 -1.26 -0.27 118.68 123.59 2vga s LEU 147 Ca -0.10 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2vga s LEU 147 Cb -0.16 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2vga s LEU 147 CO 0.06 0.05 -0.00 -1.58 -1.32 0.00 0.00 176.35 173.56 2vga s GLN 148 N 0.60 3.50 0.18 1.98 2.00 -0.01 -4.99 119.66 122.93 2vga s GLN 148 Ca -0.14 -0.56 0.01 0.00 -2.00 0.00 0.00 55.36 52.66 2vga s GLN 148 Cb -0.16 -3.12 0.03 0.00 0.80 0.00 0.00 33.01 30.57 2vga s GLN 148 CO 0.04 -0.16 0.24 0.45 -0.50 0.00 0.00 175.29 175.37 2vga n SER 149 N 4.74 0.43 -4.05 6.67 2.88 -1.26 -0.63 113.62 122.40 2vga n SER 149 Ca -0.17 -1.34 -0.10 0.00 -1.33 0.00 0.00 58.87 55.93 2vga n SER 149 Cb 0.51 -0.15 -0.08 0.00 -0.75 0.00 0.00 64.21 63.74 2vga n SER 149 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2vga s ASP 150 N -2.02 0.10 0.43 -3.46 2.15 -1.26 -4.67 116.67 107.93 2vga s ASP 150 Ca 0.17 -1.05 0.15 0.00 0.43 0.00 0.00 52.55 52.25 2vga s ASP 150 Cb -0.01 0.42 1.05 0.00 -0.30 0.00 0.00 42.92 44.07 2vga s ASP 150 CO 0.11 -0.88 1.94 0.10 -0.17 0.00 0.00 175.17 176.27 2vga h TYR 151 N 2.58 0.46 -0.00 -5.34 -0.00 -2.00 -2.13 116.97 110.54 2vga h TYR 151 Ca -0.32 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.42 2vga h TYR 151 Cb 1.23 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 37.81 2vga h TYR 151 CO 0.40 0.19 -0.04 0.00 -0.00 0.00 0.00 178.16 178.71 2vga s VAL 153 N -2.21 5.18 0.01 0.00 1.01 -0.80 -0.68 120.40 122.91 2vga s VAL 153 Ca 0.37 0.60 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 2vga s VAL 153 Cb 0.21 -3.70 -0.35 0.00 0.00 0.00 0.00 36.38 32.54 2vga s VAL 153 CO 0.41 0.18 0.93 0.78 0.00 0.00 0.00 175.10 177.40 2vga h ASN 154 N 7.97 0.77 -4.55 3.32 2.35 -0.40 -3.46 115.58 121.57 2vga h ASN 154 Ca -0.33 -0.93 -0.11 0.00 -0.55 0.00 0.00 56.30 54.38 2vga h ASN 154 Cb 1.16 -0.25 -0.22 0.00 0.05 0.00 0.00 38.32 39.07 2vga h ASN 154 CO 0.66 1.69 -0.21 -1.81 -1.65 0.00 0.00 177.43 176.10 2vga s ASP 155 N -7.47 -0.33 0.03 5.81 1.01 -1.13 -5.01 116.67 109.59 2vga s ASP 155 Ca -0.11 0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.65 2vga s ASP 155 Cb 0.04 0.54 -0.02 0.00 1.01 0.00 0.00 42.92 44.48 2vga s ASP 155 CO 0.92 -0.34 -0.19 -0.69 0.21 0.00 0.00 175.17 175.08 2vga s VAL 156 N -0.71 1.51 0.02 -1.27 1.01 -1.26 -1.23 120.40 118.47 2vga s VAL 156 Ca -0.08 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2vga s VAL 156 Cb -0.04 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2vga s VAL 156 CO 0.03 0.20 -0.11 -0.89 0.00 0.00 0.00 175.10 174.34 2vga s THR 157 N -0.74 0.86 -0.03 3.92 2.01 0.30 -0.90 115.64 121.06 2vga s THR 157 Ca 0.06 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 2vga s THR 157 Cb -0.08 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.68 2vga s THR 157 CO 0.01 0.06 0.24 0.42 -0.69 0.00 0.00 174.62 174.66 2vga s THR 158 N -0.60 0.05 -0.14 -0.82 -4.23 0.44 -0.25 115.64 110.08 2vga s THR 158 Ca 0.01 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 59.96 2vga s THR 158 Cb -0.06 -0.50 0.04 0.00 1.34 0.00 0.00 72.50 73.33 2vga s THR 158 CO 0.00 -0.25 0.37 -0.47 -0.54 0.00 0.00 174.62 173.74 2vga s TYR 159 N -1.02 -0.46 -0.03 3.99 5.04 -0.61 -1.36 117.35 122.91 2vga s TYR 159 Ca -0.11 1.06 0.06 0.00 -2.44 0.00 0.00 57.07 55.64 2vga s TYR 159 Cb -0.05 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.41 2vga s TYR 159 CO 0.02 -0.24 -0.21 0.08 -1.34 0.00 0.00 175.55 173.86 2vga s VAL 160 N 0.65 1.66 -0.09 3.14 1.01 -0.17 -0.38 120.40 126.22 2vga s VAL 160 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2vga s VAL 160 Cb -0.05 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2vga s VAL 160 CO -0.04 0.47 -0.04 -0.75 0.00 0.00 0.00 175.10 174.74 2vga s LYS 161 N -0.35 1.04 -0.16 2.72 2.20 -0.35 -1.88 119.74 122.96 2vga s LYS 161 Ca 0.04 -0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 2vga s LYS 161 Cb -0.09 -1.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.99 2vga s LYS 161 CO 0.00 -0.28 -0.19 0.42 -0.36 0.00 0.00 175.35 174.94 2vga s ILE 162 N 1.82 1.95 0.12 5.43 1.01 0.13 -0.63 121.20 131.03 2vga s ILE 162 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2vga s ILE 162 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2vga s ILE 162 CO -0.06 0.52 -0.01 -0.72 0.00 0.00 0.00 174.94 174.67 2vga s TYR 163 N 1.18 0.91 0.03 3.97 -0.85 -0.50 -0.24 117.35 121.85 2vga s TYR 163 Ca 0.01 -1.06 -0.28 0.00 -0.52 0.00 0.00 57.07 55.23 2vga s TYR 163 Cb -0.14 -0.54 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 2vga s TYR 163 CO -0.09 -0.30 0.88 0.34 -1.52 0.00 0.00 175.55 174.86 2vga s ASP 164 N -3.06 7.30 0.12 -0.18 -1.08 -1.26 -0.35 116.67 118.16 2vga s ASP 164 Ca 0.18 1.57 0.24 0.00 -0.52 0.00 0.00 52.55 54.02 2vga s ASP 164 Cb 0.07 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.32 2vga s ASP 164 CO -0.01 -0.13 1.30 -0.62 0.52 0.00 0.00 175.17 176.23 2vga n GLU 165 N 3.36 0.30 -0.57 4.34 -0.58 -0.34 -4.07 120.64 123.08 2vga n GLU 165 Ca 0.02 0.08 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 2vga n GLU 165 Cb 0.50 -1.68 0.32 0.00 -0.57 0.00 0.00 31.44 30.01 2vga n GLU 165 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vga n GLY 167 N 0.48 -1.20 2.55 0.00 0.00 -1.26 -1.96 105.19 103.80 2vga n GLY 167 Ca 0.23 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 2vga n GLY 167 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vga n ASN 168 N -2.21 3.91 0.00 1.61 4.13 -1.26 -4.69 115.26 116.74 2vga n ASN 168 Ca 0.02 -3.49 0.00 0.00 1.68 0.00 0.00 54.58 52.79 2vga n ASN 168 Cb 0.20 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 2vga n ASN 168 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vga n ILE 169 N -0.35 0.00 0.00 2.41 3.06 -1.26 -5.07 119.36 118.15 2vga n ILE 169 Ca 0.32 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.57 2vga n ILE 169 Cb 0.67 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.85 2vga n ILE 169 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2vga n LYS 170 N -0.36 0.00 0.00 9.51 5.02 -0.83 -4.07 118.16 127.43 2vga n LYS 170 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2vga n LYS 170 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2vga n LYS 170 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2vga n GLN 171 N 0.00 0.00 -4.25 1.97 1.13 -1.26 -4.99 117.38 109.98 2vga n GLN 171 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 2vga n GLN 171 Cb 0.00 -0.19 -0.10 0.00 0.11 0.00 0.00 30.24 30.06 2vga n GLN 171 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2vga s HIS 172 N -2.42 1.26 0.05 1.08 -3.43 -1.26 -5.16 115.29 105.41 2vga s HIS 172 Ca 0.00 -1.09 0.01 0.00 -0.80 0.00 0.00 55.06 53.17 2vga s HIS 172 Cb 0.00 -0.72 -0.03 0.00 -1.43 0.00 0.00 32.58 30.40 2vga s HIS 172 CO 0.00 -0.29 -0.05 -1.54 -2.00 0.00 0.00 174.74 170.86 2vga s SER 173 N -3.19 0.66 0.02 7.38 1.04 -1.26 -4.71 113.70 113.64 2vga s SER 173 Ca 0.28 -0.72 -0.25 0.00 0.48 0.00 0.00 55.95 55.74 2vga s SER 173 Cb 0.07 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 2vga s SER 173 CO 0.06 -0.36 0.78 -0.63 0.98 0.00 0.00 173.24 174.07 2vga s ILE 174 N -2.36 4.79 0.26 -1.02 1.01 -1.26 -5.02 121.20 117.61 2vga s ILE 174 Ca -0.04 1.65 -0.31 0.00 0.00 0.00 0.00 60.65 61.95 2vga s ILE 174 Cb -0.03 -4.13 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 2vga s ILE 174 CO -0.03 0.32 1.59 -2.65 0.00 0.00 0.00 174.94 174.17 2vga n PRO 175 N 3.08 2.59 -1.97 2.79 -0.02 -1.26 -4.46 135.00 135.75 2vga n PRO 175 Ca -0.01 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 2vga n PRO 175 Cb 0.50 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 2vga n PRO 175 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2vga s THR 176 N 0.24 2.72 -0.23 3.45 2.01 -1.26 -4.83 115.64 117.73 2vga s THR 176 Ca 0.67 0.52 -0.11 0.00 0.31 0.00 0.00 61.69 63.08 2vga s THR 176 Cb -0.53 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2vga s THR 176 CO 0.45 0.04 0.17 -0.76 -0.69 0.00 0.00 174.62 173.83 2vga s LEU 177 N 1.11 4.13 -0.02 4.42 1.43 0.66 -4.95 118.68 125.46 2vga s LEU 177 Ca 0.69 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 2vga s LEU 177 Cb -0.43 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2vga s LEU 177 CO 0.31 0.08 -0.13 -0.13 0.23 0.00 0.00 176.35 176.70 2vga s ARG 178 N 0.96 1.17 0.03 1.70 0.52 -1.26 -0.69 118.95 121.38 2vga s ARG 178 Ca 0.08 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2vga s ARG 178 Cb -0.13 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.21 2vga s ARG 178 CO 0.04 0.26 0.01 0.34 0.02 0.00 0.00 175.30 175.97 2vga s ASP 179 N -0.19 0.24 -0.02 0.23 2.15 -0.79 -0.67 116.67 117.62 2vga s ASP 179 Ca 0.03 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.46 2vga s ASP 179 Cb -0.07 0.15 0.03 0.00 -0.30 0.00 0.00 42.92 42.73 2vga s ASP 179 CO -0.00 -0.39 0.02 -0.47 -0.17 0.00 0.00 175.17 174.16 2vga s TYR 180 N -2.02 0.13 -0.02 -5.34 5.04 -1.26 -1.00 117.35 112.88 2vga s TYR 180 Ca -0.10 0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2vga s TYR 180 Cb -0.05 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.96 2vga s TYR 180 CO -0.03 -0.10 -0.07 0.12 -1.34 0.00 0.00 175.55 174.13 2vga s PHE 181 N 1.03 0.74 0.02 4.97 5.36 -0.46 -4.87 117.98 124.78 2vga s PHE 181 Ca -0.09 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.69 2vga s PHE 181 Cb -0.13 -0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 41.99 2vga s PHE 181 CO -0.02 -0.08 0.01 -0.08 -1.46 0.00 0.00 175.22 173.59 2vga s THR 182 N 0.19 0.12 -0.86 0.12 -1.32 -1.26 -0.42 115.64 112.21 2vga s THR 182 Ca -0.02 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 59.70 2vga s THR 182 Cb -0.07 -0.53 0.08 0.00 -1.51 0.00 0.00 72.50 70.46 2vga s THR 182 CO 0.00 -0.56 1.49 0.35 -2.21 0.00 0.00 174.62 173.69 2vga n THR 183 N 1.28 0.16 -2.26 5.08 -2.24 -0.08 -4.92 114.28 111.29 2vga n THR 183 Ca -0.22 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 2vga n THR 183 Cb 0.56 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 2vga n THR 183 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2vga s LYS 184 N -3.06 3.55 -0.08 -0.78 1.02 -1.26 -4.95 119.74 114.18 2vga s LYS 184 Ca 0.10 1.25 0.04 0.00 0.02 0.00 0.00 55.97 57.38 2vga s LYS 184 Cb 0.16 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 2vga s LYS 184 CO 0.67 -0.63 -0.20 -0.80 -0.92 0.00 0.00 175.35 173.47 2vga s ASN 185 N -2.49 3.44 -1.24 2.83 0.01 -1.26 -4.71 114.94 111.51 2vga s ASN 185 Ca 0.65 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 2vga s ASN 185 Cb -0.16 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.37 2vga s ASN 185 CO 0.30 0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.72 2vga n GLY 186 N 3.10 0.98 3.81 0.66 0.00 -1.26 -5.01 105.19 107.47 2vga n GLY 186 Ca -0.18 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2vga n GLY 186 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vga s GLN 187 N -3.41 3.13 0.82 1.61 -1.52 -1.26 -5.09 119.66 113.93 2vga s GLN 187 Ca 0.00 -0.48 -0.11 0.00 -1.95 0.00 0.00 55.36 52.82 2vga s GLN 187 Cb 0.00 -2.90 0.09 0.00 -0.22 0.00 0.00 33.01 29.98 2vga s GLN 187 CO 0.00 0.64 1.12 -1.25 -0.25 0.00 0.00 175.29 175.55 2vga s PRO 188 N -1.89 1.81 -1.28 2.91 0.04 -1.26 -4.91 135.00 130.42 2vga s PRO 188 Ca 0.25 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 2vga s PRO 188 Cb -0.12 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.68 2vga s PRO 188 CO 0.16 -2.01 1.67 0.50 0.04 0.00 0.00 177.00 177.37 2vga s ARG 189 N -4.72 4.01 0.10 4.56 3.52 -1.26 -4.95 118.95 120.21 2vga s ARG 189 Ca 0.64 -2.12 0.09 0.00 -0.13 0.00 0.00 55.73 54.21 2vga s ARG 189 Cb -0.20 -5.44 -0.04 0.00 -1.56 0.00 0.00 34.95 27.72 2vga s ARG 189 CO 0.55 -2.16 -0.22 0.15 -0.81 0.00 0.00 175.30 172.81 2vga s LYS 190 N 3.68 1.23 0.11 5.12 1.02 -1.26 -1.14 119.74 128.50 2vga s LYS 190 Ca 0.52 -1.19 0.06 0.00 0.02 0.00 0.00 55.97 55.37 2vga s LYS 190 Cb 0.03 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2vga s LYS 190 CO 0.06 0.36 -0.14 0.96 -0.92 0.00 0.00 175.35 175.68 2vga s ILE 191 N -1.10 1.27 0.03 2.17 -4.36 -0.40 -4.91 121.20 113.91 2vga s ILE 191 Ca 0.08 -1.66 -0.30 0.00 -0.26 0.00 0.00 60.65 58.51 2vga s ILE 191 Cb -0.10 -1.46 -0.08 0.00 1.25 0.00 0.00 42.46 42.07 2vga s ILE 191 CO 0.04 -0.41 1.70 -0.22 0.24 0.00 0.00 174.94 176.30 2vga s LEU 192 N -2.37 4.36 0.00 0.37 2.96 -1.26 -1.39 118.68 121.36 2vga s LEU 192 Ca 0.07 2.45 0.20 0.00 -0.22 0.00 0.00 54.13 56.63 2vga s LEU 192 Cb -0.05 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.89 2vga s LEU 192 CO 0.03 -0.92 0.88 2.29 -1.32 0.00 0.00 176.35 177.30 2vga n LYS 193 N 6.29 0.44 -1.62 1.98 2.85 0.81 -4.93 118.16 123.97 2vga n LYS 193 Ca 0.17 -0.11 -0.39 0.00 -1.05 0.00 0.00 58.31 56.93 2vga n LYS 193 Cb 0.41 -1.45 0.04 0.00 -0.65 0.00 0.00 35.03 33.38 2vga n LYS 193 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2vga n LYS 194 N -1.31 1.07 -2.05 -1.58 4.81 -1.23 -4.90 118.16 112.98 2vga n LYS 194 Ca 0.04 0.40 -0.42 0.00 -0.87 0.00 0.00 58.31 57.47 2vga n LYS 194 Cb 0.33 -2.17 -0.03 0.00 0.02 0.00 0.00 35.03 33.18 2vga n LYS 194 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2vga s LYS 195 N -2.58 4.26 0.66 1.64 -2.85 -1.26 -4.99 119.74 114.62 2vga s LYS 195 Ca 0.72 2.21 -0.11 0.00 -1.00 0.00 0.00 55.97 57.79 2vga s LYS 195 Cb -0.45 -3.32 -0.01 0.00 -2.06 0.00 0.00 37.83 31.99 2vga s LYS 195 CO 0.50 -0.57 1.06 -0.06 0.10 0.00 0.00 175.35 176.38 2vga s PHE 196 N 1.56 3.47 0.41 1.78 0.40 -1.26 -5.04 117.98 119.30 2vga s PHE 196 Ca 0.68 1.17 -0.12 0.00 -0.60 0.00 0.00 56.93 58.06 2vga s PHE 196 Cb -0.39 -2.90 -0.07 0.00 0.51 0.00 0.00 43.02 40.17 2vga s PHE 196 CO 0.30 -0.94 0.79 -0.51 0.70 0.00 0.00 175.22 175.57 2vga s ASP 197 N -4.27 6.56 0.58 1.36 1.01 0.60 -4.81 116.67 117.70 2vga s ASP 197 Ca 0.57 1.20 -0.17 0.00 0.71 0.00 0.00 52.55 54.86 2vga s ASP 197 Cb -0.11 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 2vga s ASP 197 CO 0.53 -0.41 1.08 0.20 0.21 0.00 0.00 175.17 176.79 2vga s ASN 198 N -3.06 5.70 0.00 0.27 0.01 -1.26 -0.61 114.94 115.99 2vga s ASN 198 Ca 0.52 1.97 0.00 0.00 -0.71 0.00 0.00 52.86 54.65 2vga s ASN 198 Cb -0.10 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.00 2vga s ASN 198 CO 0.30 -1.22 0.48 0.00 -1.51 0.00 0.00 177.10 175.15