#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhu s VAL 10 N 0.00 4.96 -0.09 6.31 1.01 -1.26 -0.84 120.40 130.49 1vhu s VAL 10 Ca 0.00 1.41 0.22 0.00 0.00 0.00 0.00 61.98 63.61 1vhu s VAL 10 Cb 0.00 -4.04 -0.32 0.00 0.00 0.00 0.00 36.38 32.02 1vhu s VAL 10 CO 0.00 0.09 0.53 0.18 0.00 0.00 0.00 175.10 175.90 1vhu n LEU 11 N 4.96 0.09 -3.60 3.92 4.77 0.57 -4.98 117.00 122.73 1vhu n LEU 11 Ca 0.01 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 1vhu n LEU 11 Cb 0.49 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1vhu n LEU 11 CO 0.46 0.01 0.41 0.12 -1.33 0.00 0.00 177.39 177.06 1vhu s PHE 12 N -3.48 -0.73 -0.05 -1.77 2.19 -1.18 -4.97 117.98 107.98 1vhu s PHE 12 Ca -0.07 1.62 -0.03 0.00 0.33 0.00 0.00 56.93 58.78 1vhu s PHE 12 Cb 0.14 0.31 0.02 0.00 -1.31 0.00 0.00 43.02 42.19 1vhu s PHE 12 CO 0.90 -0.45 0.13 -2.00 1.83 0.00 0.00 175.22 175.62 1vhu s GLU 13 N -0.17 0.11 0.09 10.12 2.12 -1.26 -1.51 118.70 128.19 1vhu s GLU 13 Ca -0.04 0.26 -0.13 0.00 0.36 0.00 0.00 54.97 55.42 1vhu s GLU 13 Cb -0.03 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.32 1vhu s GLU 13 CO 0.04 -0.09 0.30 0.00 -0.54 0.00 0.00 175.26 174.97 1vhu s ALA 14 N 0.60 -0.62 -0.13 6.30 0.00 -0.18 -4.99 121.76 122.74 1vhu s ALA 14 Ca -0.04 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1vhu s ALA 14 Cb -0.06 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1vhu s ALA 14 CO -0.03 -0.53 0.46 0.21 0.00 0.00 0.00 175.76 175.87 1vhu s LYS 15 N -3.46 4.32 -0.25 0.00 2.47 -1.26 -0.25 119.74 121.31 1vhu s LYS 15 Ca 0.01 0.41 0.01 0.00 -1.56 0.00 0.00 55.97 54.85 1vhu s LYS 15 Cb 0.02 -3.45 0.07 0.00 -1.46 0.00 0.00 37.83 33.01 1vhu s LYS 15 CO -0.09 0.14 -0.02 0.08 0.16 0.00 0.00 175.35 175.62 1vhu s VAL 16 N 0.69 1.51 0.00 4.02 1.01 0.35 -4.96 120.40 123.02 1vhu s VAL 16 Ca 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1vhu s VAL 16 Cb -0.15 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1vhu s VAL 16 CO 0.10 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1vhu n GLY 17 N 4.65 4.00 0.73 4.51 0.00 -1.26 -0.75 105.19 117.07 1vhu n GLY 17 Ca -0.09 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1vhu n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vhu n ASP 18 N 6.97 2.20 -4.68 1.61 8.00 -1.26 -4.92 116.55 124.46 1vhu n ASP 18 Ca 0.00 -1.79 -0.35 0.00 0.71 0.00 0.00 54.79 53.36 1vhu n ASP 18 Cb 0.00 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 1vhu n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vhu s ILE 19 N -1.73 4.57 -0.27 0.53 1.01 0.07 -4.66 121.20 120.72 1vhu s ILE 19 Ca 0.34 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 1vhu s ILE 19 Cb 0.19 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 1vhu s ILE 19 CO 0.28 0.56 0.65 -0.89 0.00 0.00 0.00 174.94 175.55 1vhu s THR 20 N -0.50 4.95 -0.18 2.92 2.01 0.11 -0.50 115.64 124.46 1vhu s THR 20 Ca 0.09 1.10 -0.05 0.00 0.31 0.00 0.00 61.69 63.15 1vhu s THR 20 Cb -0.12 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1vhu s THR 20 CO 0.02 -0.04 0.01 -0.22 -0.69 0.00 0.00 174.62 173.70 1vhu s LEU 21 N 2.58 3.44 0.10 4.42 2.96 0.66 -1.44 118.68 131.40 1vhu s LEU 21 Ca 0.27 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.19 1vhu s LEU 21 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1vhu s LEU 21 CO 0.09 0.14 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.49 1vhu s LYS 22 N 0.53 1.33 -0.14 1.98 1.02 -0.05 -1.02 119.74 123.40 1vhu s LYS 22 Ca -0.00 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 54.75 1vhu s LYS 22 Cb -0.14 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 1vhu s LYS 22 CO 0.02 0.40 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.63 1vhu s LEU 23 N -1.81 3.18 0.06 3.17 2.96 -0.57 -0.99 118.68 124.68 1vhu s LEU 23 Ca 0.10 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1vhu s LEU 23 Cb -0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1vhu s LEU 23 CO 0.04 0.19 -0.14 0.00 -1.32 0.00 0.00 176.35 175.13 1vhu s ALA 24 N 0.24 1.11 -0.19 5.97 0.00 0.03 -0.31 121.76 128.61 1vhu s ALA 24 Ca -0.04 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 1vhu s ALA 24 Cb -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1vhu s ALA 24 CO 0.03 0.16 0.07 -1.14 0.00 0.00 0.00 175.76 174.88 1vhu s GLN 25 N -1.57 3.97 0.00 0.00 0.74 -0.02 -1.20 119.66 121.58 1vhu s GLN 25 Ca -0.02 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1vhu s GLN 25 Cb -0.09 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1vhu s GLN 25 CO 0.02 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 1vhu n GLY 26 N 3.65 -0.35 3.56 2.59 0.00 -0.17 -1.69 105.19 112.78 1vhu n GLY 26 Ca -0.16 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1vhu n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vhu s ASP 27 N -4.00 6.39 0.56 1.61 -1.08 -1.26 -3.45 116.67 115.43 1vhu s ASP 27 Ca 0.00 0.08 0.25 0.00 -0.52 0.00 0.00 52.55 52.36 1vhu s ASP 27 Cb 0.00 -2.31 1.50 0.00 -1.46 0.00 0.00 42.92 40.65 1vhu s ASP 27 CO 0.00 -0.57 2.09 -0.29 0.52 0.00 0.00 175.17 176.93 1vhu h ILE 28 N 5.66 0.68 0.00 4.11 2.10 -1.95 0.01 117.51 128.12 1vhu h ILE 28 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.67 1vhu h ILE 28 Cb 1.11 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1vhu h ILE 28 CO 0.82 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 178.24 1vhu n THR 29 N -4.15 0.43 0.08 2.19 -2.24 -1.26 -1.73 114.28 107.59 1vhu n THR 29 Ca 0.03 0.11 0.03 0.00 -2.27 0.00 0.00 64.05 61.94 1vhu n THR 29 Cb 0.34 -0.86 0.04 0.00 -2.10 0.00 0.00 70.33 67.75 1vhu n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vhu n GLN 30 N -1.21 1.15 -2.80 -0.78 6.02 -0.01 -5.01 117.38 114.74 1vhu n GLN 30 Ca 0.08 -1.22 -0.41 0.00 -0.01 0.00 0.00 57.00 55.44 1vhu n GLN 30 Cb 0.10 -1.11 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 1vhu n GLN 30 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1vhu s TYR 31 N -0.68 3.84 -1.20 1.08 6.14 -0.71 -4.94 117.35 120.88 1vhu s TYR 31 Ca 0.08 1.75 -0.17 0.00 0.64 0.00 0.00 57.07 59.37 1vhu s TYR 31 Cb 0.05 -2.98 -0.03 0.00 0.42 0.00 0.00 41.96 39.42 1vhu s TYR 31 CO 0.07 0.29 2.10 -0.35 0.64 0.00 0.00 175.55 178.29 1vhu n PRO 32 N 2.46 2.35 -4.36 4.97 -0.04 -1.26 -4.87 135.00 134.26 1vhu n PRO 32 Ca 0.00 -2.35 -0.19 0.00 -0.04 0.00 0.00 63.50 60.92 1vhu n PRO 32 Cb 0.49 -3.17 -0.10 0.00 -0.04 0.00 0.00 33.50 30.68 1vhu n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vhu s ALA 33 N 4.04 2.09 -0.07 0.55 0.00 -1.26 -4.98 121.76 122.13 1vhu s ALA 33 Ca 0.51 -1.67 0.15 0.00 0.00 0.00 0.00 51.96 50.95 1vhu s ALA 33 Cb 0.14 -0.11 0.17 0.00 0.00 0.00 0.00 23.12 23.32 1vhu s ALA 33 CO -0.00 0.10 1.49 0.87 0.00 0.00 0.00 175.76 178.21 1vhu h LYS 34 N 2.57 0.00 -5.06 0.00 1.79 -1.59 -3.31 116.57 110.97 1vhu h LYS 34 Ca -0.38 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 57.67 1vhu h LYS 34 Cb 1.22 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.62 1vhu h LYS 34 CO 0.61 0.52 -0.78 0.00 -1.08 0.00 0.00 179.45 178.71 1vhu s ALA 35 N -3.07 0.98 0.09 3.86 0.00 -0.93 -0.35 121.76 122.35 1vhu s ALA 35 Ca 0.03 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1vhu s ALA 35 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1vhu s ALA 35 CO 0.74 0.19 -0.22 0.96 0.00 0.00 0.00 175.76 177.42 1vhu s ILE 36 N -0.69 2.55 -0.10 0.00 -4.36 -0.74 -1.34 121.20 116.52 1vhu s ILE 36 Ca 0.01 -1.49 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 1vhu s ILE 36 Cb -0.07 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 1vhu s ILE 36 CO 0.01 0.19 0.25 -0.69 0.24 0.00 0.00 174.94 174.93 1vhu s VAL 37 N -1.02 5.32 -0.18 8.37 1.01 0.30 -0.65 120.40 133.56 1vhu s VAL 37 Ca 0.15 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 1vhu s VAL 37 Cb -0.10 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1vhu s VAL 37 CO 0.07 0.54 0.12 0.21 0.00 0.00 0.00 175.10 176.03 1vhu s ASN 38 N -0.55 6.14 -0.96 3.32 2.47 0.00 -4.23 114.94 121.13 1vhu s ASN 38 Ca 0.17 0.25 -0.21 0.00 0.42 0.00 0.00 52.86 53.48 1vhu s ASN 38 Cb -0.13 -2.06 0.08 0.00 -1.45 0.00 0.00 41.25 37.69 1vhu s ASN 38 CO 0.06 0.22 1.30 0.00 -3.72 0.00 0.00 177.10 174.96 1vhu s ALA 39 N 0.11 2.98 0.51 1.71 0.00 -1.26 -1.53 121.76 124.28 1vhu s ALA 39 Ca 0.09 -2.41 0.04 0.00 0.00 0.00 0.00 51.96 49.67 1vhu s ALA 39 Cb -0.11 -4.31 0.03 0.00 0.00 0.00 0.00 23.12 18.73 1vhu s ALA 39 CO -0.01 -3.33 0.70 0.00 0.00 0.00 0.00 175.76 173.13 1vhu s ALA 40 N 4.07 4.17 0.66 0.00 0.00 0.12 -4.22 121.76 126.55 1vhu s ALA 40 Ca 0.40 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1vhu s ALA 40 Cb -0.03 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.29 1vhu s ALA 40 CO -0.08 -0.60 0.92 0.54 0.00 0.00 0.00 175.76 176.54 1vhu s ASN 41 N -4.42 4.82 0.62 0.00 2.20 -1.26 -4.29 114.94 112.60 1vhu s ASN 41 Ca 0.57 0.05 0.40 0.00 -0.94 0.00 0.00 52.86 52.94 1vhu s ASN 41 Cb -0.10 -0.71 2.03 0.00 -2.00 0.00 0.00 41.25 40.47 1vhu s ASN 41 CO 0.37 -1.52 2.22 0.11 -2.94 0.00 0.00 177.10 175.33 1vhu h LYS 42 N -0.35 0.00 -0.27 3.55 1.57 -1.94 -1.96 116.57 117.17 1vhu h LYS 42 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1vhu h LYS 42 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1vhu h LYS 42 CO 0.51 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.93 1vhu n ARG 43 N -3.05 2.34 -3.59 3.15 5.12 -1.26 -1.15 116.66 118.22 1vhu n ARG 43 Ca -0.02 -2.11 -0.27 0.00 -1.93 0.00 0.00 57.85 53.52 1vhu n ARG 43 Cb 0.15 -1.47 0.01 0.00 -1.16 0.00 0.00 32.46 29.99 1vhu n ARG 43 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1vhu n LEU 44 N 1.37 -2.03 -4.49 0.55 4.77 -0.74 -4.83 117.00 111.59 1vhu n LEU 44 Ca 0.17 -0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 1vhu n LEU 44 Cb 0.58 -2.37 -0.05 0.00 -2.33 0.00 0.00 43.42 39.25 1vhu n LEU 44 CO 0.15 0.28 0.61 -0.70 -1.33 0.00 0.00 177.39 176.40 1vhu s GLU 45 N -6.27 3.25 -1.30 3.23 2.56 -1.26 -4.62 118.70 114.29 1vhu s GLU 45 Ca 0.51 -0.51 -0.08 0.00 0.00 0.00 0.00 54.97 54.90 1vhu s GLU 45 Cb -0.26 -4.08 0.15 0.00 2.00 0.00 0.00 34.13 31.94 1vhu s GLU 45 CO 0.63 -1.41 2.06 0.72 -0.56 0.00 0.00 175.26 176.70 1vhu n HIS 46 N 7.03 2.79 1.01 5.30 8.25 -1.26 -4.66 115.22 133.67 1vhu n HIS 46 Ca -0.01 -2.80 0.11 0.00 -0.26 0.00 0.00 57.72 54.76 1vhu n HIS 46 Cb 0.47 -1.91 0.11 0.00 1.12 0.00 0.00 29.99 29.77 1vhu n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vhu n GLY 47 N 2.44 -1.11 3.83 -1.41 0.00 -1.26 -3.96 105.19 103.71 1vhu n GLY 47 Ca 0.48 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1vhu n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vhu s GLY 48 N -2.98 0.04 0.00 -0.02 0.00 -1.26 -4.88 107.32 98.22 1vhu s GLY 48 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1vhu s GLY 48 CO 0.76 0.96 0.00 0.61 0.00 0.00 0.00 173.10 175.43 1vhu n GLY 49 N -0.58 -0.25 0.32 0.20 0.00 -1.26 -1.68 105.19 101.95 1vhu n GLY 49 Ca -0.05 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.05 1vhu n GLY 49 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vhu h VAL 50 N 0.00 0.88 -0.48 1.61 3.04 -1.99 -1.95 116.25 117.36 1vhu h VAL 50 Ca 0.00 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.61 1vhu h VAL 50 Cb 0.00 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 30.05 1vhu h VAL 50 CO 0.00 0.01 0.11 0.00 -1.01 0.00 0.00 177.57 176.69 1vhu h ALA 51 N 1.84 0.64 -0.27 3.17 0.00 -1.71 0.66 119.26 123.58 1vhu h ALA 51 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1vhu h ALA 51 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1vhu h ALA 51 CO -0.01 0.33 0.11 -0.92 0.00 0.00 0.00 179.25 178.76 1vhu h TYR 52 N 0.66 0.42 -0.50 0.00 5.03 -0.59 -0.71 116.97 121.28 1vhu h TYR 52 Ca 0.15 -0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.49 1vhu h TYR 52 Cb 0.34 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.44 1vhu h TYR 52 CO 0.02 0.42 0.21 0.00 -1.32 0.00 0.00 178.16 177.49 1vhu h ALA 53 N 0.95 0.62 -0.17 1.82 0.00 -0.93 0.07 119.26 121.63 1vhu h ALA 53 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vhu h ALA 53 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1vhu h ALA 53 CO -0.01 -0.17 0.01 0.82 0.00 0.00 0.00 179.25 179.90 1vhu h ILE 54 N 0.40 1.24 -0.53 0.00 2.04 -0.82 -0.93 117.51 118.92 1vhu h ILE 54 Ca 0.23 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1vhu h ILE 54 Cb 0.21 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1vhu h ILE 54 CO -0.21 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.47 1vhu h ALA 55 N 0.79 0.68 -0.50 1.87 0.00 -0.80 -0.06 119.26 121.24 1vhu h ALA 55 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1vhu h ALA 55 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1vhu h ALA 55 CO 0.01 -0.02 -0.13 -0.22 0.00 0.00 0.00 179.25 178.88 1vhu h LYS 56 N 0.58 0.95 -0.73 0.00 3.64 -0.93 -1.04 116.57 119.04 1vhu h LYS 56 Ca 0.22 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1vhu h LYS 56 Cb 0.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1vhu h LYS 56 CO -0.13 1.01 0.24 0.00 -2.27 0.00 0.00 179.45 178.31 1vhu h ALA 57 N 1.00 1.05 -0.07 5.00 0.00 -0.68 0.20 119.26 125.76 1vhu h ALA 57 Ca 0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1vhu h ALA 57 Cb 0.67 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vhu h ALA 57 CO 0.05 0.65 -0.63 0.00 0.00 0.00 0.00 179.25 179.32 1vhu n ALA 59 N -2.58 2.42 0.00 0.00 0.00 -0.41 -0.90 120.51 119.05 1vhu n ALA 59 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1vhu n ALA 59 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1vhu n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhu n GLY 60 N 0.71 2.07 2.89 0.00 0.00 0.70 -4.89 105.19 106.67 1vhu n GLY 60 Ca 0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1vhu n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vhu s ASP 61 N 0.08 1.77 0.41 1.61 -1.08 -1.26 -4.87 116.67 113.33 1vhu s ASP 61 Ca 0.00 -0.22 0.11 0.00 -0.52 0.00 0.00 52.55 51.93 1vhu s ASP 61 Cb 0.00 -0.67 0.94 0.00 -1.46 0.00 0.00 42.92 41.72 1vhu s ASP 61 CO 0.00 -0.11 1.96 0.00 0.52 0.00 0.00 175.17 177.54 1vhu h ALA 62 N 7.88 1.92 -0.38 3.66 0.00 -1.87 -1.72 119.26 128.76 1vhu h ALA 62 Ca -0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1vhu h ALA 62 Cb 1.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1vhu h ALA 62 CO 0.39 -0.06 0.18 0.78 0.00 0.00 0.00 179.25 180.54 1vhu h GLY 63 N 0.53 0.56 1.16 0.00 0.00 -1.91 -0.83 103.07 102.57 1vhu h GLY 63 Ca 0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 1vhu h GLY 63 CO -0.10 0.24 0.07 1.41 0.00 0.00 0.00 176.54 178.16 1vhu h LEU 64 N 0.53 0.99 -0.63 3.11 3.38 -1.67 -1.53 115.31 119.49 1vhu h LEU 64 Ca 0.14 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1vhu h LEU 64 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1vhu h LEU 64 CO -0.02 1.00 -0.61 0.22 0.09 0.00 0.00 178.44 179.13 1vhu h TYR 65 N 0.96 0.34 -0.61 1.13 3.20 -1.24 -1.73 116.97 119.02 1vhu h TYR 65 Ca 0.19 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1vhu h TYR 65 Cb 0.46 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1vhu h TYR 65 CO 0.03 0.80 0.37 1.15 -1.64 0.00 0.00 178.16 178.88 1vhu h THR 66 N 0.20 1.07 -0.09 1.81 2.02 -0.94 -0.01 112.91 116.96 1vhu h THR 66 Ca -0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1vhu h THR 66 Cb 1.12 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1vhu h THR 66 CO 0.10 0.13 0.03 -0.08 0.37 0.00 0.00 175.52 176.07 1vhu h GLU 67 N 0.73 0.14 -0.23 6.66 4.81 -0.88 -1.15 114.58 124.66 1vhu h GLU 67 Ca 0.25 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1vhu h GLU 67 Cb 0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1vhu h GLU 67 CO -0.11 0.30 -0.19 0.97 -0.73 0.00 0.00 179.01 179.25 1vhu h ILE 68 N -0.04 1.24 -0.80 2.32 2.10 -1.21 -2.28 117.51 118.83 1vhu h ILE 68 Ca 0.03 -1.09 -0.01 0.00 1.08 0.00 0.00 64.86 64.87 1vhu h ILE 68 Cb 0.22 1.27 -0.04 0.00 -1.09 0.00 0.00 36.82 37.17 1vhu h ILE 68 CO -0.00 0.35 0.46 0.28 -1.08 0.00 0.00 178.15 178.15 1vhu h SER 69 N 0.38 0.98 -0.22 2.19 0.02 -0.70 -0.88 113.55 115.32 1vhu h SER 69 Ca 0.07 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1vhu h SER 69 Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1vhu h SER 69 CO 0.04 0.78 -0.25 0.11 -1.14 0.00 0.00 176.83 176.37 1vhu h LYS 70 N 1.10 0.70 -0.19 3.45 1.57 -0.87 -2.95 116.57 119.38 1vhu h LYS 70 Ca 0.28 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1vhu h LYS 70 Cb -0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1vhu h LYS 70 CO -0.05 0.88 0.04 -0.22 -0.57 0.00 0.00 179.45 179.53 1vhu h LYS 71 N 0.60 0.31 -1.53 3.15 3.64 -1.09 -1.13 116.57 120.53 1vhu h LYS 71 Ca 0.08 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1vhu h LYS 71 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1vhu h LYS 71 CO 0.06 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 1vhu n ALA 72 N -2.28 1.46 0.00 5.00 0.00 -0.36 -1.62 120.51 122.70 1vhu n ALA 72 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1vhu n ALA 72 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1vhu n ALA 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vhu n ARG 74 N 0.86 0.00 -0.15 0.00 0.63 -0.43 -0.69 116.66 116.89 1vhu n ARG 74 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1vhu n ARG 74 Cb 0.03 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.01 1vhu n ARG 74 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1vhu h GLU 75 N 0.00 0.92 0.00 -0.14 5.08 -1.57 -0.26 114.58 118.61 1vhu h GLU 75 Ca 0.00 -0.32 -0.17 0.00 -1.00 0.00 0.00 59.36 57.87 1vhu h GLU 75 Cb 0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1vhu h GLU 75 CO 0.00 0.97 -1.17 1.96 -1.00 0.00 0.00 179.01 179.76 1vhu h GLN 76 N 0.83 0.00 0.00 2.33 4.20 -1.17 -3.40 115.11 117.90 1vhu h GLN 76 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1vhu h GLN 76 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1vhu h GLN 76 CO 0.04 0.46 0.00 1.19 -0.67 0.00 0.00 178.83 179.85 1vhu n PHE 77 N -3.05 0.00 -1.04 2.96 3.72 -1.24 -5.04 117.46 113.78 1vhu n PHE 77 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 1vhu n PHE 77 Cb 0.86 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.39 1vhu n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vhu n GLY 78 N 0.25 0.47 3.36 1.37 0.00 -0.11 -4.98 105.19 105.54 1vhu n GLY 78 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1vhu n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vhu n ARG 79 N -2.16 0.87 -0.76 1.61 1.85 -1.26 -4.99 116.66 111.82 1vhu n ARG 79 Ca -0.01 -2.37 0.04 0.00 -1.00 0.00 0.00 57.85 54.50 1vhu n ARG 79 Cb 0.14 2.58 0.31 0.00 -1.05 0.00 0.00 32.46 34.44 1vhu n ARG 79 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1vhu n ASP 80 N -1.57 4.58 -3.84 2.89 5.75 -1.26 -3.35 116.55 119.76 1vhu n ASP 80 Ca -0.04 -3.11 -0.10 0.00 -0.01 0.00 0.00 54.79 51.53 1vhu n ASP 80 Cb 0.56 -0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 1vhu n ASP 80 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1vhu s TYR 81 N -2.89 0.05 0.16 2.11 1.13 -1.26 -4.48 117.35 112.17 1vhu s TYR 81 Ca 0.49 -0.30 0.10 0.00 -1.41 0.00 0.00 57.07 55.95 1vhu s TYR 81 Cb 0.40 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1vhu s TYR 81 CO 0.11 -0.46 -0.16 0.96 -2.51 0.00 0.00 175.55 173.49 1vhu s ILE 82 N -2.80 2.84 0.35 -3.49 -4.36 -0.30 -5.02 121.20 108.43 1vhu s ILE 82 Ca -0.03 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1vhu s ILE 82 Cb 0.00 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1vhu s ILE 82 CO -0.05 -0.04 0.55 -1.81 0.24 0.00 0.00 174.94 173.82 1vhu s ASP 83 N -2.56 6.21 0.12 4.36 1.01 -1.26 -4.71 116.67 119.84 1vhu s ASP 83 Ca 0.21 0.35 -0.34 0.00 0.71 0.00 0.00 52.55 53.48 1vhu s ASP 83 Cb -0.09 -1.89 -0.14 0.00 1.01 0.00 0.00 42.92 41.81 1vhu s ASP 83 CO 0.12 -0.35 1.61 1.41 0.21 0.00 0.00 175.17 178.18 1vhu n HIS 84 N -1.79 2.26 0.00 4.23 8.25 -1.26 -1.27 115.22 125.63 1vhu n HIS 84 Ca -0.04 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1vhu n HIS 84 Cb 0.57 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 29.12 1vhu n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vhu n GLY 85 N 3.53 2.91 3.76 -1.41 0.00 -1.25 -4.78 105.19 107.95 1vhu n GLY 85 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1vhu n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhu s GLU 86 N -0.36 4.64 -0.10 1.61 2.02 -0.40 -4.38 118.70 121.72 1vhu s GLU 86 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 54.97 56.62 1vhu s GLU 86 Cb 0.00 -3.09 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1vhu s GLU 86 CO 0.00 0.26 -0.09 0.08 0.02 0.00 0.00 175.26 175.54 1vhu s VAL 87 N -1.28 1.06 -0.12 2.63 1.01 -1.26 -4.54 120.40 117.90 1vhu s VAL 87 Ca 0.46 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1vhu s VAL 87 Cb -0.28 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1vhu s VAL 87 CO 0.35 0.37 0.34 -0.69 0.00 0.00 0.00 175.10 175.47 1vhu s VAL 88 N 1.49 5.24 -0.20 2.92 1.01 -0.81 -4.89 120.40 125.17 1vhu s VAL 88 Ca 0.01 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1vhu s VAL 88 Cb -0.13 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1vhu s VAL 88 CO -0.06 0.42 0.02 -0.69 0.00 0.00 0.00 175.10 174.80 1vhu s VAL 89 N 0.15 4.23 0.12 2.92 1.01 -1.26 -0.39 120.40 127.18 1vhu s VAL 89 Ca 0.20 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1vhu s VAL 89 Cb -0.14 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1vhu s VAL 89 CO 0.07 0.43 -0.20 0.42 0.00 0.00 0.00 175.10 175.82 1vhu s THR 90 N 0.84 1.74 0.36 3.92 -4.23 -0.39 -4.94 115.64 112.94 1vhu s THR 90 Ca 0.02 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.60 1vhu s THR 90 Cb -0.14 -1.64 -0.11 0.00 1.34 0.00 0.00 72.50 71.96 1vhu s THR 90 CO 0.02 -0.13 1.45 -2.16 -0.54 0.00 0.00 174.62 173.26 1vhu s PRO 91 N -2.16 4.17 0.00 3.99 0.04 -1.26 -1.07 135.00 138.71 1vhu s PRO 91 Ca 0.09 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1vhu s PRO 91 Cb -0.09 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1vhu s PRO 91 CO 0.05 -0.45 0.00 0.00 0.04 0.00 0.00 177.00 176.64 1vhu n ALA 92 N 0.62 0.00 0.00 8.56 0.00 -0.33 -4.64 120.51 124.72 1vhu n ALA 92 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1vhu n ALA 92 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1vhu n ALA 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vhu n ASN 94 N 0.00 0.00 -0.03 0.00 3.02 -0.08 -4.23 115.26 113.94 1vhu n ASN 94 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1vhu n ASN 94 Cb 0.00 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 39.77 1vhu n ASN 94 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vhu n LEU 95 N 0.00 0.17 0.16 3.41 4.77 -1.26 -4.13 117.00 120.12 1vhu n LEU 95 Ca 0.00 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 1vhu n LEU 95 Cb 0.00 -0.34 0.47 0.00 -2.33 0.00 0.00 43.42 41.22 1vhu n LEU 95 CO 0.00 0.04 0.96 -0.33 -1.33 0.00 0.00 177.39 176.73 1vhu h GLU 96 N 0.13 0.17 0.00 3.23 5.08 -1.69 -1.09 114.58 120.41 1vhu h GLU 96 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1vhu h GLU 96 Cb 0.41 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1vhu h GLU 96 CO 0.00 0.25 -0.06 1.05 -1.00 0.00 0.00 179.01 179.25 1vhu h GLU 97 N 0.17 0.00 -0.21 2.33 -0.00 -1.84 -1.38 114.58 113.64 1vhu h GLU 97 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 1vhu h GLU 97 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.98 1vhu h GLU 97 CO 0.01 0.06 0.00 0.54 -0.00 0.00 0.00 179.01 179.62 1vhu n ARG 98 N -3.20 1.78 -0.34 1.06 1.74 -0.43 -4.92 116.66 112.36 1vhu n ARG 98 Ca 0.00 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 1vhu n ARG 98 Cb 0.31 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1vhu n ARG 98 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vhu n GLY 99 N 1.14 0.93 3.53 -0.13 0.00 -0.52 -4.84 105.19 105.29 1vhu n GLY 99 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1vhu n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhu s ILE 100 N -2.82 4.51 0.02 -0.61 1.01 -1.11 -4.20 121.20 118.01 1vhu s ILE 100 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 1vhu s ILE 100 Cb 0.00 -4.44 -0.28 0.00 0.01 0.00 0.00 42.46 37.75 1vhu s ILE 100 CO 0.00 -0.93 0.94 0.50 0.00 0.00 0.00 174.94 175.45 1vhu h LYS 101 N 9.15 0.25 -4.58 2.79 3.64 -0.94 -2.93 116.57 123.96 1vhu h LYS 101 Ca -0.25 -0.43 -0.25 0.00 -1.27 0.00 0.00 60.65 58.44 1vhu h LYS 101 Cb 1.08 0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 32.87 1vhu h LYS 101 CO 1.03 1.14 -0.72 0.71 -2.27 0.00 0.00 179.45 179.34 1vhu s TYR 102 N -2.63 0.74 -0.13 1.91 2.02 -1.00 -1.18 117.35 117.08 1vhu s TYR 102 Ca -0.07 -0.65 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 1vhu s TYR 102 Cb 0.07 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.16 1vhu s TYR 102 CO 0.86 -0.11 0.01 0.08 -1.57 0.00 0.00 175.55 174.82 1vhu s VAL 103 N -2.20 4.33 -0.35 0.71 1.01 -0.23 -1.80 120.40 121.87 1vhu s VAL 103 Ca -0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1vhu s VAL 103 Cb -0.04 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1vhu s VAL 103 CO -0.02 0.54 0.13 -0.36 0.00 0.00 0.00 175.10 175.39 1vhu s PHE 104 N -0.25 3.28 -0.13 5.22 0.40 0.18 -1.26 117.98 125.42 1vhu s PHE 104 Ca 0.06 -1.47 -0.22 0.00 -0.60 0.00 0.00 56.93 54.70 1vhu s PHE 104 Cb -0.12 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 1vhu s PHE 104 CO 0.02 -0.75 0.66 -1.01 0.70 0.00 0.00 175.22 174.84 1vhu s HIS 105 N 1.40 3.48 0.20 0.36 3.76 0.48 -0.82 115.29 124.15 1vhu s HIS 105 Ca -0.01 1.08 0.06 0.00 -0.15 0.00 0.00 55.06 56.05 1vhu s HIS 105 Cb -0.20 -2.79 -0.05 0.00 1.11 0.00 0.00 32.58 30.65 1vhu s HIS 105 CO 0.03 -0.03 -0.11 -0.08 -0.85 0.00 0.00 174.74 173.69 1vhu s THR 106 N 1.33 1.53 -0.13 1.30 -1.32 -0.58 -1.92 115.64 115.85 1vhu s THR 106 Ca 0.33 -2.15 -0.00 0.00 -1.21 0.00 0.00 61.69 58.65 1vhu s THR 106 Cb -0.16 -2.07 0.03 0.00 -1.51 0.00 0.00 72.50 68.78 1vhu s THR 106 CO 0.13 -0.57 -0.08 0.54 -2.21 0.00 0.00 174.62 172.43 1vhu s VAL 107 N -3.10 1.11 0.62 5.08 0.11 -1.26 -0.70 120.40 122.25 1vhu s VAL 107 Ca 0.22 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1vhu s VAL 107 Cb 0.01 -1.14 0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1vhu s VAL 107 CO 0.06 0.33 0.89 -0.83 -3.33 0.00 0.00 175.10 172.22 1vhu s GLY 108 N 1.67 1.75 0.72 6.54 0.00 -1.26 -4.43 107.32 112.31 1vhu s GLY 108 Ca 0.04 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 1vhu s GLY 108 CO -0.08 -0.78 1.08 2.56 0.00 0.00 0.00 173.10 175.87 1vhu s PRO 109 N -4.99 2.74 -0.41 2.90 0.04 -1.26 -4.95 135.00 129.07 1vhu s PRO 109 Ca 0.58 0.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1vhu s PRO 109 Cb -0.11 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1vhu s PRO 109 CO 0.41 -1.17 0.34 0.42 0.04 0.00 0.00 177.00 177.04 1vhu s ILE 110 N -3.19 5.21 -0.04 0.56 1.01 -1.26 -4.78 121.20 118.71 1vhu s ILE 110 Ca 0.58 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1vhu s ILE 110 Cb -0.13 -3.94 -0.25 0.00 0.01 0.00 0.00 42.46 38.15 1vhu s ILE 110 CO 0.54 -0.31 0.69 0.00 0.00 0.00 0.00 174.94 175.85 1vhu n SER 112 N -3.28 -0.67 -0.42 0.00 2.88 -0.41 -4.73 113.62 106.99 1vhu n SER 112 Ca -0.19 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1vhu n SER 112 Cb 1.04 -2.77 0.00 0.00 -0.75 0.00 0.00 64.21 61.73 1vhu n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vhu n GLY 113 N -1.97 0.90 3.64 0.46 0.00 -0.17 -5.04 105.19 103.02 1vhu n GLY 113 Ca -0.24 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 1vhu n GLY 113 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1vhu s TRP 115 N -2.69 -0.11 0.28 1.61 -0.11 -1.26 -4.96 118.94 111.71 1vhu s TRP 115 Ca 0.00 0.24 -0.19 0.00 1.22 0.00 0.00 56.10 57.37 1vhu s TRP 115 Cb 0.00 0.47 0.02 0.00 -1.50 0.00 0.00 33.47 32.46 1vhu s TRP 115 CO 0.00 -0.06 0.67 -1.54 -4.62 0.00 0.00 176.95 171.40 1vhu s SER 116 N -0.30 -0.18 0.30 5.86 1.04 -1.26 -5.00 113.70 114.15 1vhu s SER 116 Ca 0.07 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1vhu s SER 116 Cb -0.04 0.71 0.47 0.00 0.10 0.00 0.00 66.02 67.26 1vhu s SER 116 CO -0.12 -1.33 1.82 -0.33 0.98 0.00 0.00 173.24 174.26 1vhu h GLU 117 N 2.06 0.66 -0.42 4.02 4.39 -2.05 -0.82 114.58 122.42 1vhu h GLU 117 Ca -0.22 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.22 1vhu h GLU 117 Cb 1.25 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1vhu h GLU 117 CO 0.27 0.68 -0.14 0.93 -1.16 0.00 0.00 179.01 179.59 1vhu h GLU 118 N 0.63 0.84 -0.56 2.33 3.07 -1.99 -0.74 114.58 118.16 1vhu h GLU 118 Ca 0.13 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.63 1vhu h GLU 118 Cb 0.38 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1vhu h GLU 118 CO 0.01 0.97 0.26 -0.07 -1.40 0.00 0.00 179.01 178.79 1vhu h LEU 119 N 0.66 0.73 -0.50 1.33 3.38 -1.88 -2.21 115.31 116.82 1vhu h LEU 119 Ca 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1vhu h LEU 119 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1vhu h LEU 119 CO 0.05 0.66 0.27 0.50 0.09 0.00 0.00 178.44 180.01 1vhu h LYS 120 N 0.75 0.71 -0.59 1.13 3.64 -0.97 -1.76 116.57 119.49 1vhu h LYS 120 Ca 0.19 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1vhu h LYS 120 Cb 0.13 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1vhu h LYS 120 CO -0.02 0.57 0.02 1.49 -2.27 0.00 0.00 179.45 179.23 1vhu h GLU 121 N 0.67 1.01 -0.65 1.90 4.57 -0.97 0.16 114.58 121.26 1vhu h GLU 121 Ca 0.18 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1vhu h GLU 121 Cb 0.07 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1vhu h GLU 121 CO -0.03 0.98 0.41 0.87 -1.18 0.00 0.00 179.01 180.06 1vhu h LYS 122 N 0.93 0.78 -0.56 1.92 1.57 -1.04 -1.48 116.57 118.69 1vhu h LYS 122 Ca 0.17 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1vhu h LYS 122 Cb 0.51 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1vhu h LYS 122 CO 0.02 0.52 -0.09 1.25 -0.57 0.00 0.00 179.45 180.59 1vhu h LEU 123 N 0.81 1.03 -0.42 2.94 5.85 -0.96 -1.78 115.31 122.78 1vhu h LEU 123 Ca 0.26 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1vhu h LEU 123 Cb 0.00 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1vhu h LEU 123 CO -0.10 1.13 0.15 0.22 -0.34 0.00 0.00 178.44 179.50 1vhu h TYR 124 N 0.93 0.26 -0.94 1.25 3.20 -0.46 -1.29 116.97 119.92 1vhu h TYR 124 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1vhu h TYR 124 Cb 0.65 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1vhu h TYR 124 CO 0.04 0.10 0.56 0.87 -1.64 0.00 0.00 178.16 178.09 1vhu h LYS 125 N 0.31 1.28 0.00 1.82 1.57 -1.11 0.15 116.57 120.59 1vhu h LYS 125 Ca 0.19 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1vhu h LYS 125 Cb 0.18 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1vhu h LYS 125 CO -0.20 0.90 -0.25 0.00 -0.57 0.00 0.00 179.45 179.33 1vhu h ALA 126 N 1.32 1.46 0.22 3.86 0.00 -0.41 -0.43 119.26 125.28 1vhu h ALA 126 Ca 0.34 -0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1vhu h ALA 126 Cb -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.73 1vhu h ALA 126 CO -0.06 0.32 -1.64 0.74 0.00 0.00 0.00 179.25 178.61 1vhu h PHE 127 N 0.00 0.85 -0.30 0.00 0.04 -0.82 -3.39 116.94 113.33 1vhu h PHE 127 Ca -0.00 -0.62 -0.17 0.00 2.80 0.00 0.00 57.97 59.98 1vhu h PHE 127 Cb 0.48 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1vhu h PHE 127 CO 0.00 1.63 -0.48 1.25 -0.60 0.00 0.00 178.31 180.12 1vhu h LEU 128 N 0.12 0.88 -0.30 1.54 5.85 -0.81 -3.30 115.31 119.30 1vhu h LEU 128 Ca -0.31 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.03 1vhu h LEU 128 Cb 2.14 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 1vhu h LEU 128 CO 0.22 1.21 -0.04 1.23 -0.34 0.00 0.00 178.44 180.72 1vhu h GLY 129 N 0.83 0.25 1.90 3.75 0.00 -1.26 -1.13 103.07 107.41 1vhu h GLY 129 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1vhu h GLY 129 CO 0.10 -0.09 -0.06 -2.55 0.00 0.00 0.00 176.54 173.94 1vhu h PRO 130 N 0.04 0.13 -0.34 4.80 0.11 -1.75 0.11 132.00 135.09 1vhu h PRO 130 Ca 0.14 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1vhu h PRO 130 Cb 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1vhu h PRO 130 CO -0.28 0.21 0.12 -0.07 -0.21 0.00 0.00 178.00 177.77 1vhu h LEU 131 N 0.13 0.48 -0.97 2.35 3.38 -1.34 -0.21 115.31 119.13 1vhu h LEU 131 Ca 0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1vhu h LEU 131 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1vhu h LEU 131 CO 0.01 0.53 0.10 -0.33 0.09 0.00 0.00 178.44 178.84 1vhu h GLU 132 N 0.40 0.84 -0.46 1.13 5.08 -0.66 -1.22 114.58 119.68 1vhu h GLU 132 Ca 0.11 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1vhu h GLU 132 Cb 0.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1vhu h GLU 132 CO -0.01 0.78 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.37 1vhu h LYS 133 N 0.80 0.95 -0.63 2.33 1.63 -0.79 -1.13 116.57 119.73 1vhu h LYS 133 Ca 0.17 -0.40 0.04 0.00 -0.85 0.00 0.00 60.65 59.60 1vhu h LYS 133 Cb 0.35 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1vhu h LYS 133 CO 0.00 1.07 0.38 0.00 -3.45 0.00 0.00 179.45 177.45 1vhu h ALA 134 N 0.86 0.83 -0.25 5.00 0.00 -0.72 -2.72 119.26 122.26 1vhu h ALA 134 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1vhu h ALA 134 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1vhu h ALA 134 CO 0.06 0.11 0.12 1.49 0.00 0.00 0.00 179.25 181.03 1vhu h GLU 135 N 0.73 0.35 0.00 0.00 4.57 -0.93 0.70 114.58 120.01 1vhu h GLU 135 Ca 0.26 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1vhu h GLU 135 Cb 0.06 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1vhu h GLU 135 CO -0.12 0.35 0.00 -1.91 -1.18 0.00 0.00 179.01 176.15 1vhu n GLU 136 N -4.83 0.00 -0.80 1.92 2.13 -0.45 -4.64 120.64 113.97 1vhu n GLU 136 Ca -0.03 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.76 1vhu n GLU 136 Cb 0.10 -0.89 -0.03 0.00 0.27 0.00 0.00 31.44 30.88 1vhu n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vhu n GLY 138 N 0.25 0.74 3.65 8.31 0.00 -0.26 -5.11 105.19 112.77 1vhu n GLY 138 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1vhu n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhu s VAL 139 N 0.00 4.49 -0.40 1.61 1.01 0.08 -4.93 120.40 122.25 1vhu s VAL 139 Ca 0.03 1.75 0.23 0.00 0.00 0.00 0.00 61.98 63.98 1vhu s VAL 139 Cb 0.03 -4.31 0.29 0.00 0.00 0.00 0.00 36.38 32.39 1vhu s VAL 139 CO -0.01 -0.36 1.55 -0.33 0.00 0.00 0.00 175.10 175.94 1vhu h GLU 140 N 8.07 0.00 -3.63 2.72 5.08 -1.87 -3.36 114.58 121.58 1vhu h GLU 140 Ca -0.21 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.88 1vhu h GLU 140 Cb 1.07 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.01 1vhu h GLU 140 CO 1.01 0.03 -0.73 0.45 -1.00 0.00 0.00 179.01 178.77 1vhu s SER 141 N -6.14 0.04 -0.09 1.42 0.15 -1.26 -0.40 113.70 107.42 1vhu s SER 141 Ca 0.06 0.02 -0.08 0.00 0.70 0.00 0.00 55.95 56.65 1vhu s SER 141 Cb 0.06 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1vhu s SER 141 CO 0.69 -0.06 0.24 -0.51 1.20 0.00 0.00 173.24 174.80 1vhu s ILE 142 N 0.53 -0.00 0.01 6.45 2.07 -0.60 -2.12 121.20 127.54 1vhu s ILE 142 Ca -0.04 0.01 0.09 0.00 -1.41 0.00 0.00 60.65 59.29 1vhu s ILE 142 Cb -0.06 -0.35 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 1vhu s ILE 142 CO -0.01 0.00 -0.26 0.00 -1.91 0.00 0.00 174.94 172.76 1vhu s ALA 143 N 0.20 2.17 0.13 1.50 0.00 -0.45 -1.26 121.76 124.05 1vhu s ALA 143 Ca -0.01 -1.18 0.10 0.00 0.00 0.00 0.00 51.96 50.88 1vhu s ALA 143 Cb -0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1vhu s ALA 143 CO -0.00 0.52 -0.25 -0.06 0.00 0.00 0.00 175.76 175.96 1vhu s PHE 144 N -0.71 2.20 0.72 0.00 0.08 0.62 -0.54 117.98 120.35 1vhu s PHE 144 Ca 0.11 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 1vhu s PHE 144 Cb -0.10 -1.18 0.12 0.00 -0.57 0.00 0.00 43.02 41.28 1vhu s PHE 144 CO 0.01 0.33 0.99 -1.25 -0.10 0.00 0.00 175.22 175.19 1vhu s PRO 145 N -2.09 1.74 -1.28 0.24 0.04 -1.26 -0.29 135.00 132.10 1vhu s PRO 145 Ca 0.13 -0.99 -0.16 0.00 0.04 0.00 0.00 61.00 60.01 1vhu s PRO 145 Cb -0.10 -2.31 0.10 0.00 0.04 0.00 0.00 34.50 32.23 1vhu s PRO 145 CO 0.06 -1.41 1.66 0.00 0.04 0.00 0.00 177.00 177.34 1vhu n ALA 146 N -2.84 3.71 -1.62 8.56 0.00 -1.26 -4.87 120.51 122.20 1vhu n ALA 146 Ca 0.14 -3.98 -0.48 0.00 0.00 0.00 0.00 53.44 49.12 1vhu n ALA 146 Cb 0.60 -3.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.58 1vhu n ALA 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vhu n VAL 147 N 5.78 0.55 -0.81 0.00 0.31 -1.26 -1.47 118.33 121.43 1vhu n VAL 147 Ca 0.45 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1vhu n VAL 147 Cb 0.45 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1vhu n VAL 147 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1vhu n SER 148 N 2.40 0.00 -0.75 4.52 7.64 -1.26 -4.85 113.62 121.32 1vhu n SER 148 Ca 0.15 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.16 1vhu n SER 148 Cb 0.26 -0.51 0.32 0.00 -1.01 0.00 0.00 64.21 63.27 1vhu n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vhu n ALA 149 N 0.93 2.51 -1.23 -0.43 0.00 -0.54 -1.04 120.51 120.69 1vhu n ALA 149 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1vhu n ALA 149 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1vhu n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhu n GLY 150 N 1.27 0.90 0.13 0.00 0.00 -1.26 -4.68 105.19 101.55 1vhu n GLY 150 Ca 0.17 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1vhu n GLY 150 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vhu n ILE 151 N 0.00 0.98 0.61 -0.61 -5.35 -1.26 -1.10 119.36 112.63 1vhu n ILE 151 Ca 0.00 0.45 0.08 0.00 -0.27 0.00 0.00 62.75 63.01 1vhu n ILE 151 Cb 0.00 -1.40 0.36 0.00 -1.74 0.00 0.00 39.64 36.86 1vhu n ILE 151 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1vhu n TYR 152 N -2.17 0.00 -1.57 4.28 4.01 -1.26 -4.85 117.16 115.61 1vhu n TYR 152 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1vhu n TYR 152 Cb 0.14 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 38.67 1vhu n TYR 152 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vhu n GLY 153 N 0.20 0.80 3.74 2.72 0.00 -0.26 -1.05 105.19 111.35 1vhu n GLY 153 Ca 0.05 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1vhu n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhu n ASP 155 N 2.80 2.49 -0.24 0.00 -0.08 -1.26 -4.32 116.55 115.94 1vhu n ASP 155 Ca -0.02 1.10 -0.05 0.00 -1.51 0.00 0.00 54.79 54.31 1vhu n ASP 155 Cb 0.50 -1.34 0.05 0.00 2.34 0.00 0.00 41.12 42.67 1vhu n ASP 155 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1vhu h LEU 156 N 5.21 0.77 -0.61 -2.67 5.85 -1.94 -0.03 115.31 121.89 1vhu h LEU 156 Ca -0.46 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1vhu h LEU 156 Cb 1.29 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1vhu h LEU 156 CO 0.83 0.57 0.39 -0.33 -0.34 0.00 0.00 178.44 179.56 1vhu h GLU 157 N 0.90 0.75 -0.54 1.25 5.08 -1.92 -0.44 114.58 119.66 1vhu h GLU 157 Ca 0.24 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1vhu h GLU 157 Cb -0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1vhu h GLU 157 CO -0.05 0.49 0.13 0.87 -1.00 0.00 0.00 179.01 179.45 1vhu h LYS 158 N 0.77 0.83 -0.26 2.33 1.79 -1.76 -0.27 116.57 119.99 1vhu h LYS 158 Ca 0.24 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1vhu h LYS 158 Cb -0.01 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1vhu h LYS 158 CO -0.09 0.75 0.07 0.28 -1.08 0.00 0.00 179.45 179.38 1vhu h VAL 159 N 0.80 1.21 -0.53 0.50 2.07 -0.35 -1.30 116.25 118.65 1vhu h VAL 159 Ca 0.18 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1vhu h VAL 159 Cb 0.30 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1vhu h VAL 159 CO -0.00 0.22 0.14 0.58 0.02 0.00 0.00 177.57 178.53 1vhu h VAL 160 N 0.25 1.24 -0.80 2.57 2.07 -0.81 -0.61 116.25 120.16 1vhu h VAL 160 Ca 0.08 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 66.86 1vhu h VAL 160 Cb 0.27 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1vhu h VAL 160 CO -0.00 0.31 0.46 -0.33 0.02 0.00 0.00 177.57 178.02 1vhu h GLU 161 N 0.74 0.76 -0.34 1.57 5.08 -0.91 -1.25 114.58 120.22 1vhu h GLU 161 Ca 0.17 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1vhu h GLU 161 Cb 0.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1vhu h GLU 161 CO -0.00 0.50 -0.21 1.15 -1.00 0.00 0.00 179.01 179.45 1vhu h THR 162 N 0.78 1.29 -0.50 1.13 2.02 -0.68 -1.53 112.91 115.42 1vhu h THR 162 Ca 0.38 -1.35 0.09 0.00 0.77 0.00 0.00 66.41 66.30 1vhu h THR 162 Cb 0.33 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 1vhu h THR 162 CO -0.24 0.44 0.10 0.15 0.37 0.00 0.00 175.52 176.34 1vhu h PHE 163 N 0.52 0.16 -0.31 3.16 3.57 -0.85 -1.77 116.94 121.42 1vhu h PHE 163 Ca 0.07 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1vhu h PHE 163 Cb 0.77 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1vhu h PHE 163 CO 0.06 -0.01 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.96 1vhu h LEU 164 N 0.24 0.50 -0.62 0.59 3.38 -0.98 -1.05 115.31 117.36 1vhu h LEU 164 Ca 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1vhu h LEU 164 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1vhu h LEU 164 CO -0.33 0.64 0.25 -0.33 0.09 0.00 0.00 178.44 178.77 1vhu h GLU 165 N 0.48 0.93 -0.36 1.13 5.08 -0.79 -0.38 114.58 120.66 1vhu h GLU 165 Ca 0.09 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1vhu h GLU 165 Cb 0.47 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1vhu h GLU 165 CO 0.03 0.78 0.19 0.00 -1.00 0.00 0.00 179.01 179.01 1vhu h ALA 166 N 1.10 0.47 -0.78 3.43 0.00 -0.52 -1.12 119.26 121.83 1vhu h ALA 166 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1vhu h ALA 166 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1vhu h ALA 166 CO -0.02 0.01 0.28 0.28 0.00 0.00 0.00 179.25 179.80 1vhu h VAL 167 N 0.46 1.26 -0.23 0.00 2.07 -0.93 -1.24 116.25 117.63 1vhu h VAL 167 Ca 0.13 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1vhu h VAL 167 Cb 0.08 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1vhu h VAL 167 CO -0.02 0.35 -0.35 0.11 0.02 0.00 0.00 177.57 177.69 1vhu h LYS 168 N 1.15 0.51 0.09 1.57 1.57 -0.87 -3.23 116.57 117.35 1vhu h LYS 168 Ca 0.26 -0.23 -0.26 0.00 -1.87 0.00 0.00 60.65 58.54 1vhu h LYS 168 Cb 0.27 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1vhu h LYS 168 CO -0.01 0.78 -1.15 -0.91 -0.57 0.00 0.00 179.45 177.59 1vhu h ASN 169 N 0.43 0.54 -3.15 0.86 -0.26 -0.99 -3.46 115.58 109.54 1vhu h ASN 169 Ca 0.05 -0.51 -0.58 0.00 -0.56 0.00 0.00 56.30 54.70 1vhu h ASN 169 Cb 0.81 -0.17 0.12 0.00 -1.06 0.00 0.00 38.32 38.01 1vhu h ASN 169 CO 0.07 1.36 0.35 0.33 -1.06 0.00 0.00 177.43 178.48 1vhu n PHE 170 N -3.65 1.80 -4.28 1.19 7.35 -0.49 -5.02 117.46 114.37 1vhu n PHE 170 Ca -0.09 0.57 -0.18 0.00 -0.76 0.00 0.00 57.45 57.00 1vhu n PHE 170 Cb 0.96 -2.33 -0.14 0.00 0.35 0.00 0.00 39.48 38.32 1vhu n PHE 170 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1vhu s LYS 171 N -1.93 0.69 -0.05 -4.13 -0.14 -1.26 -5.00 119.74 107.92 1vhu s LYS 171 Ca 0.59 -0.47 -0.31 0.00 -1.36 0.00 0.00 55.97 54.42 1vhu s LYS 171 Cb -0.58 -0.64 0.13 0.00 -1.68 0.00 0.00 37.83 35.06 1vhu s LYS 171 CO 0.60 0.16 1.36 0.20 -0.76 0.00 0.00 175.35 176.91 1vhu s GLY 172 N -0.63 -0.41 -0.02 -3.33 0.00 -1.26 -5.04 107.32 96.63 1vhu s GLY 172 Ca 0.01 0.70 0.13 0.00 0.00 0.00 0.00 44.72 45.56 1vhu s GLY 172 CO 0.00 1.17 0.30 -1.14 0.00 0.00 0.00 173.10 173.44 1vhu n SER 173 N -0.59 1.91 -0.03 1.64 3.41 -1.26 -4.70 113.62 114.00 1vhu n SER 173 Ca -0.07 -0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.31 1vhu n SER 173 Cb 0.63 1.60 -0.13 0.00 -0.26 0.00 0.00 64.21 66.04 1vhu n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vhu n ALA 174 N -1.95 0.88 -2.40 7.33 0.00 -1.26 -4.85 120.51 118.26 1vhu n ALA 174 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1vhu n ALA 174 Cb 0.35 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1vhu n ALA 174 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vhu s VAL 175 N -2.50 4.14 0.00 0.00 1.01 -1.26 -4.23 120.40 117.56 1vhu s VAL 175 Ca -0.25 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1vhu s VAL 175 Cb 0.07 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1vhu s VAL 175 CO 0.71 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 176.07 1vhu n LYS 176 N 5.46 2.10 -3.75 2.72 5.02 0.46 -4.66 118.16 125.52 1vhu n LYS 176 Ca 0.12 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.26 1vhu n LYS 176 Cb 0.45 -0.83 -0.15 0.00 -0.02 0.00 0.00 35.03 34.48 1vhu n LYS 176 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vhu s GLU 177 N -1.63 0.01 -0.02 1.97 2.02 -0.61 -0.71 118.70 119.73 1vhu s GLU 177 Ca 0.00 0.30 0.03 0.00 0.02 0.00 0.00 54.97 55.32 1vhu s GLU 177 Cb 0.00 -0.24 -0.00 0.00 0.10 0.00 0.00 34.13 33.99 1vhu s GLU 177 CO 0.00 -0.19 -0.11 0.08 0.02 0.00 0.00 175.26 175.06 1vhu s VAL 178 N 1.26 0.89 0.04 2.63 1.01 -0.52 -1.56 120.40 124.15 1vhu s VAL 178 Ca -0.07 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1vhu s VAL 178 Cb -0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1vhu s VAL 178 CO -0.04 0.26 -0.15 0.00 0.00 0.00 0.00 175.10 175.17 1vhu s ALA 179 N -0.06 1.28 -0.20 5.51 0.00 -0.39 -0.87 121.76 127.02 1vhu s ALA 179 Ca 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1vhu s ALA 179 Cb -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1vhu s ALA 179 CO 0.00 0.25 0.07 -1.17 0.00 0.00 0.00 175.76 174.92 1vhu s LEU 180 N -1.12 3.76 -0.18 0.00 2.96 -0.16 -0.28 118.68 123.66 1vhu s LEU 180 Ca 0.03 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1vhu s LEU 180 Cb -0.08 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1vhu s LEU 180 CO 0.01 0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.29 1vhu s VAL 181 N 0.71 2.21 -0.10 1.68 1.01 0.60 -0.79 120.40 125.73 1vhu s VAL 181 Ca 0.04 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1vhu s VAL 181 Cb -0.13 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1vhu s VAL 181 CO 0.02 0.53 -0.23 -0.63 0.00 0.00 0.00 175.10 174.78 1vhu s ILE 182 N 1.25 2.13 -0.02 2.22 -1.09 -0.34 -4.27 121.20 121.08 1vhu s ILE 182 Ca 0.04 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.21 1vhu s ILE 182 Cb -0.13 -1.81 -0.20 0.00 -1.58 0.00 0.00 42.46 38.74 1vhu s ILE 182 CO -0.11 0.56 1.24 0.22 -1.23 0.00 0.00 174.94 175.62 1vhu h TYR 183 N 6.61 0.12 -2.95 3.97 5.03 -1.87 -0.44 116.97 127.45 1vhu h TYR 183 Ca -0.21 -0.04 -0.62 0.00 2.58 0.00 0.00 58.73 60.44 1vhu h TYR 183 Cb 1.23 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 1vhu h TYR 183 CO 0.47 0.61 -0.36 0.16 -1.32 0.00 0.00 178.16 177.71 1vhu s ASP 184 N -5.87 6.51 0.17 -2.11 -4.77 -1.26 -3.92 116.67 105.43 1vhu s ASP 184 Ca -0.16 0.59 -0.14 0.00 -3.30 0.00 0.00 52.55 49.54 1vhu s ASP 184 Cb 0.02 -2.10 0.08 0.00 -1.09 0.00 0.00 42.92 39.83 1vhu s ASP 184 CO 0.70 0.23 1.81 -0.09 0.70 0.00 0.00 175.17 178.52 1vhu h ARG 185 N 3.89 0.56 -0.68 2.11 9.65 -1.99 -1.11 114.38 126.80 1vhu h ARG 185 Ca -0.50 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 1vhu h ARG 185 Cb 1.19 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 1vhu h ARG 185 CO 0.67 0.37 0.37 0.87 2.80 0.00 0.00 179.97 185.04 1vhu h LYS 186 N 0.57 0.95 -0.22 0.20 6.56 -1.99 -0.01 116.57 122.63 1vhu h LYS 186 Ca 0.19 -0.12 -0.12 0.00 -1.06 0.00 0.00 60.65 59.54 1vhu h LYS 186 Cb 0.01 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 1vhu h LYS 186 CO -0.08 0.72 -0.38 0.77 -2.06 0.00 0.00 179.45 178.42 1vhu h SER 187 N 0.93 0.52 -0.11 0.86 0.02 -1.93 -2.20 113.55 111.65 1vhu h SER 187 Ca 0.24 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1vhu h SER 187 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1vhu h SER 187 CO -0.04 0.85 -0.22 0.00 -1.14 0.00 0.00 176.83 176.28 1vhu h ALA 188 N 1.18 1.08 -0.11 3.77 0.00 -0.60 -1.03 119.26 123.55 1vhu h ALA 188 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1vhu h ALA 188 Cb 0.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vhu h ALA 188 CO 0.07 0.56 -0.58 0.93 0.00 0.00 0.00 179.25 180.23 1vhu h GLU 189 N 0.48 0.37 -0.45 0.00 4.39 -0.80 0.35 114.58 118.93 1vhu h GLU 189 Ca 0.07 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1vhu h GLU 189 Cb 0.65 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1vhu h GLU 189 CO 0.05 0.85 0.20 0.28 -1.16 0.00 0.00 179.01 179.22 1vhu h VAL 190 N 0.28 1.19 -0.92 3.13 2.07 -0.98 -1.80 116.25 119.22 1vhu h VAL 190 Ca -0.00 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1vhu h VAL 190 Cb 1.10 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1vhu h VAL 190 CO 0.10 0.21 0.61 0.00 0.02 0.00 0.00 177.57 178.51 1vhu h ALA 191 N 1.05 1.41 -0.74 1.67 0.00 -0.80 -2.24 119.26 119.60 1vhu h ALA 191 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vhu h ALA 191 Cb 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1vhu h ALA 191 CO -0.02 0.50 0.43 1.25 0.00 0.00 0.00 179.25 181.42 1vhu h LEU 192 N 1.16 0.91 -0.49 0.00 5.85 -0.49 0.10 115.31 122.35 1vhu h LEU 192 Ca 0.36 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.10 1vhu h LEU 192 Cb 0.01 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 1vhu h LEU 192 CO -0.11 0.72 0.02 0.50 -0.34 0.00 0.00 178.44 179.24 1vhu h LYS 193 N 1.02 0.14 -0.49 1.25 3.64 -0.76 -0.43 116.57 120.94 1vhu h LYS 193 Ca 0.27 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1vhu h LYS 193 Cb -0.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1vhu h LYS 193 CO -0.05 0.09 0.07 0.28 -2.27 0.00 0.00 179.45 177.58 1vhu h VAL 194 N 0.14 1.25 -0.56 2.00 2.07 -0.94 -2.47 116.25 117.74 1vhu h VAL 194 Ca 0.25 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1vhu h VAL 194 Cb 0.37 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1vhu h VAL 194 CO -0.39 0.33 0.32 -0.26 0.02 0.00 0.00 177.57 177.59 1vhu h PHE 195 N 0.68 0.60 -0.35 1.57 -1.00 -0.52 -2.28 116.94 115.64 1vhu h PHE 195 Ca 0.15 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.85 1vhu h PHE 195 Cb 0.40 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1vhu h PHE 195 CO 0.03 0.33 -0.19 0.93 -1.61 0.00 0.00 178.31 177.80 1vhu h GLU 196 N 0.64 0.66 0.00 1.51 5.08 -0.91 -0.91 114.58 120.64 1vhu h GLU 196 Ca 0.23 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1vhu h GLU 196 Cb 0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1vhu h GLU 196 CO -0.12 0.81 -0.09 2.89 -1.00 0.00 0.00 179.01 181.51 1vhu n ARG 197 N -4.14 0.03 -0.00 2.33 1.85 -0.95 -3.95 116.66 111.83 1vhu n ARG 197 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 57.85 56.94 1vhu n ARG 197 Cb 0.40 -1.53 -0.10 0.00 -1.05 0.00 0.00 32.46 30.17 1vhu n ARG 197 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1vhu n SER 198 N -1.59 1.50 0.00 2.89 7.64 -0.87 -5.11 113.62 118.08 1vhu n SER 198 Ca 0.07 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1vhu n SER 198 Cb 0.35 1.45 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 1vhu n SER 198 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21