#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sac s THR 2 N 0.00 2.84 -0.46 0.61 2.01 0.62 -4.77 115.64 116.49 1sac s THR 2 Ca 0.00 -1.37 -0.22 0.00 0.31 0.00 0.00 61.69 60.41 1sac s THR 2 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.28 1sac s THR 2 CO 0.00 0.19 0.73 -0.62 -0.69 0.00 0.00 174.62 174.23 1sac s ASP 3 N -1.87 6.35 -0.22 3.53 2.15 -1.24 -0.69 116.67 124.68 1sac s ASP 3 Ca 0.17 -0.32 0.15 0.00 0.43 0.00 0.00 52.55 52.98 1sac s ASP 3 Cb -0.11 -2.35 0.68 0.00 -0.30 0.00 0.00 42.92 40.84 1sac s ASP 3 CO 0.08 -0.89 1.60 0.18 -0.17 0.00 0.00 175.17 175.97 1sac n LEU 4 N 6.56 4.91 -4.68 -1.34 4.32 -0.52 -4.99 117.00 121.26 1sac n LEU 4 Ca -0.00 -3.01 -0.45 0.00 -0.02 0.00 0.00 56.01 52.52 1sac n LEU 4 Cb 0.48 -0.63 -0.04 0.00 -1.62 0.00 0.00 43.42 41.61 1sac n LEU 4 CO 0.57 0.67 1.22 -1.20 -1.22 0.00 0.00 177.39 177.43 1sac n SER 5 N 0.02 3.21 -1.17 -1.43 7.64 -1.26 -1.45 113.62 119.18 1sac n SER 5 Ca 0.26 1.08 -0.13 0.00 1.01 0.00 0.00 58.87 61.09 1sac n SER 5 Cb 1.07 -1.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 1sac n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sac n GLY 6 N 3.49 0.67 3.16 0.23 0.00 -1.26 -5.00 105.19 106.48 1sac n GLY 6 Ca 0.17 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1sac n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sac s LYS 7 N -3.77 0.81 0.06 1.61 1.02 -0.53 -1.37 119.74 117.57 1sac s LYS 7 Ca 0.00 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 54.73 1sac s LYS 7 Cb 0.00 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1sac s LYS 7 CO 0.00 0.00 -0.04 0.14 -0.92 0.00 0.00 175.35 174.53 1sac s VAL 8 N -3.26 0.34 -0.25 3.17 -7.23 -0.05 -4.53 120.40 108.59 1sac s VAL 8 Ca 0.09 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 1sac s VAL 8 Cb 0.03 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1sac s VAL 8 CO -0.04 -0.91 0.36 -0.36 -0.31 0.00 0.00 175.10 173.84 1sac s PHE 9 N -3.59 3.27 -0.22 2.82 0.08 -0.65 -1.57 117.98 118.12 1sac s PHE 9 Ca 0.06 0.44 -0.03 0.00 0.12 0.00 0.00 56.93 57.52 1sac s PHE 9 Cb 0.05 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1sac s PHE 9 CO -0.08 -0.17 -0.07 0.54 -0.10 0.00 0.00 175.22 175.34 1sac s VAL 10 N 1.86 3.07 -0.82 -0.44 0.11 0.92 -1.56 120.40 123.54 1sac s VAL 10 Ca 0.15 -0.63 -0.20 0.00 -2.93 0.00 0.00 61.98 58.37 1sac s VAL 10 Cb -0.15 -2.40 0.10 0.00 -1.53 0.00 0.00 36.38 32.40 1sac s VAL 10 CO 0.09 0.42 1.07 -0.36 -3.33 0.00 0.00 175.10 173.00 1sac s PHE 11 N 1.43 2.91 -1.87 1.54 0.40 0.13 -2.17 117.98 120.35 1sac s PHE 11 Ca 0.05 -1.02 0.28 0.00 -0.60 0.00 0.00 56.93 55.64 1sac s PHE 11 Cb -0.14 -4.30 1.62 0.00 0.51 0.00 0.00 43.02 40.71 1sac s PHE 11 CO -0.05 -1.57 2.01 -2.30 0.70 0.00 0.00 175.22 174.01 1sac n PRO 12 N 7.12 0.77 -3.57 0.24 -0.02 -1.26 -1.32 135.00 136.96 1sac n PRO 12 Ca 0.13 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1sac n PRO 12 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1sac n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1sac s ARG 13 N -2.13 1.23 0.16 -0.52 1.70 -1.26 -4.97 118.95 113.16 1sac s ARG 13 Ca 0.39 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 1sac s ARG 13 Cb 0.19 0.53 -0.07 0.00 -0.57 0.00 0.00 34.95 35.03 1sac s ARG 13 CO 0.35 -0.52 0.97 -2.00 -1.08 0.00 0.00 175.30 173.03 1sac s GLU 14 N -3.80 4.73 0.24 3.89 2.12 -1.26 -4.78 118.70 119.85 1sac s GLU 14 Ca 0.04 1.50 -0.16 0.00 0.36 0.00 0.00 54.97 56.70 1sac s GLU 14 Cb 0.00 -3.33 0.06 0.00 0.26 0.00 0.00 34.13 31.12 1sac s GLU 14 CO -0.10 0.29 0.81 -1.13 -0.54 0.00 0.00 175.26 174.59 1sac n SER 15 N 2.33 -1.73 -0.01 -1.70 3.41 -1.26 -5.03 113.62 109.63 1sac n SER 15 Ca 0.01 -2.05 0.01 0.00 -0.26 0.00 0.00 58.87 56.58 1sac n SER 15 Cb 0.48 2.84 0.01 0.00 -0.26 0.00 0.00 64.21 67.28 1sac n SER 15 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1sac n VAL 16 N -0.56 0.86 -0.01 -3.33 3.14 -1.26 -4.50 118.33 112.67 1sac n VAL 16 Ca -0.04 -0.88 -0.03 0.00 -2.96 0.00 0.00 64.34 60.43 1sac n VAL 16 Cb 0.51 0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 33.83 1sac n VAL 16 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1sac n THR 17 N -0.46 0.14 -1.69 1.55 -2.24 -1.26 -4.77 114.28 105.55 1sac n THR 17 Ca 0.01 -0.04 -0.45 0.00 -2.27 0.00 0.00 64.05 61.30 1sac n THR 17 Cb 0.32 -1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 67.14 1sac n THR 17 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sac n ASP 18 N -3.02 3.43 -3.63 3.42 8.00 -1.26 -4.72 116.55 118.77 1sac n ASP 18 Ca -0.05 1.07 -0.03 0.00 0.71 0.00 0.00 54.79 56.50 1sac n ASP 18 Cb 0.54 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.14 1sac n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1sac s HIS 19 N 1.03 -0.04 -0.04 1.24 -3.43 -0.33 -4.46 115.29 109.26 1sac s HIS 19 Ca 0.77 0.02 0.05 0.00 -0.80 0.00 0.00 55.06 55.10 1sac s HIS 19 Cb -0.61 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.03 1sac s HIS 19 CO 0.36 -0.06 -0.17 0.14 -2.00 0.00 0.00 174.74 173.01 1sac s VAL 20 N -2.12 1.42 -0.11 -5.38 -7.23 -0.89 -0.46 120.40 105.64 1sac s VAL 20 Ca 0.11 -0.72 -0.17 0.00 -1.81 0.00 0.00 61.98 59.39 1sac s VAL 20 Cb -0.01 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1sac s VAL 20 CO -0.03 0.41 0.44 0.20 -0.31 0.00 0.00 175.10 175.80 1sac s ASN 21 N -0.07 6.65 -0.23 4.85 0.01 0.67 -1.72 114.94 125.09 1sac s ASN 21 Ca -0.01 0.77 -0.09 0.00 -0.71 0.00 0.00 52.86 52.82 1sac s ASN 21 Cb -0.10 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1sac s ASN 21 CO 0.01 0.05 0.12 -0.76 -1.51 0.00 0.00 177.10 175.02 1sac s LEU 22 N 0.43 3.92 -0.19 0.60 1.02 -0.30 -0.05 118.68 124.10 1sac s LEU 22 Ca 0.24 0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.40 1sac s LEU 22 Cb -0.15 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 1sac s LEU 22 CO 0.09 0.06 -0.08 -0.63 0.02 0.00 0.00 176.35 175.82 1sac s ILE 23 N 1.05 3.15 0.04 -0.59 1.01 -0.18 -4.13 121.20 121.55 1sac s ILE 23 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1sac s ILE 23 Cb -0.14 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1sac s ILE 23 CO 0.04 0.46 -0.10 0.28 0.00 0.00 0.00 174.94 175.62 1sac s THR 24 N 1.18 0.76 -0.60 2.92 -1.32 -1.26 -4.38 115.64 112.93 1sac s THR 24 Ca 0.02 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1sac s THR 24 Cb -0.14 -0.74 0.24 0.00 -1.51 0.00 0.00 72.50 70.34 1sac s THR 24 CO -0.02 -0.17 0.99 -0.81 -2.21 0.00 0.00 174.62 172.40 1sac n PRO 25 N 1.80 1.98 -1.29 7.08 -0.04 -1.26 -4.93 135.00 138.35 1sac n PRO 25 Ca -0.20 -0.95 -0.58 0.00 -0.04 0.00 0.00 63.50 61.73 1sac n PRO 25 Cb 0.55 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1sac n PRO 25 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sac n LEU 26 N 0.14 0.90 -0.12 1.53 7.94 -1.26 -4.83 117.00 121.30 1sac n LEU 26 Ca 0.11 0.62 -0.17 0.00 -1.11 0.00 0.00 56.01 55.46 1sac n LEU 26 Cb 0.63 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.53 1sac n LEU 26 CO 0.12 -0.77 -1.26 -1.84 -1.11 0.00 0.00 177.39 172.54 1sac n GLU 27 N 7.64 0.57 -4.12 1.96 0.28 -1.26 -2.49 120.64 123.21 1sac n GLU 27 Ca 0.54 0.14 -0.35 0.00 -0.16 0.00 0.00 57.16 57.33 1sac n GLU 27 Cb -0.00 -1.45 -0.08 0.00 1.43 0.00 0.00 31.44 31.34 1sac n GLU 27 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1sac s LYS 28 N -2.46 3.38 0.29 3.44 2.36 -1.26 -4.70 119.74 120.79 1sac s LYS 28 Ca -0.31 -0.30 -0.27 0.00 -2.55 0.00 0.00 55.97 52.54 1sac s LYS 28 Cb 0.09 -3.03 -0.14 0.00 -1.05 0.00 0.00 37.83 33.69 1sac s LYS 28 CO 0.52 0.62 0.81 -0.35 1.55 0.00 0.00 175.35 178.50 1sac n PRO 29 N 2.43 0.89 -2.58 4.03 -0.04 -1.26 -4.69 135.00 133.78 1sac n PRO 29 Ca -0.19 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1sac n PRO 29 Cb 0.54 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1sac n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sac s LEU 30 N 1.28 4.43 -0.13 1.53 1.02 0.13 -4.91 118.68 122.02 1sac s LEU 30 Ca 0.61 1.91 0.05 0.00 0.02 0.00 0.00 54.13 56.71 1sac s LEU 30 Cb -0.74 -3.59 -0.11 0.00 0.02 0.00 0.00 46.19 41.77 1sac s LEU 30 CO 0.59 -0.28 -0.06 1.67 0.02 0.00 0.00 176.35 178.29 1sac n GLN 31 N 3.29 1.09 -3.98 1.70 7.27 -1.26 -2.03 117.38 123.46 1sac n GLN 31 Ca 0.05 0.05 -0.09 0.00 0.07 0.00 0.00 57.00 57.08 1sac n GLN 31 Cb 0.48 -1.29 -0.08 0.00 2.41 0.00 0.00 30.24 31.75 1sac n GLN 31 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1sac s ASN 32 N -5.00 0.21 -0.29 1.69 0.01 -1.26 -1.58 114.94 108.72 1sac s ASN 32 Ca -0.14 -0.88 -0.39 0.00 -0.71 0.00 0.00 52.86 50.74 1sac s ASN 32 Cb 0.04 0.33 0.16 0.00 0.41 0.00 0.00 41.25 42.19 1sac s ASN 32 CO 0.39 -0.74 1.40 0.72 -1.51 0.00 0.00 177.10 177.36 1sac s PHE 33 N -3.93 -0.00 -0.05 2.20 -0.12 -1.15 -4.17 117.98 110.75 1sac s PHE 33 Ca 0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 56.93 56.98 1sac s PHE 33 Cb 0.06 0.50 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1sac s PHE 33 CO -0.06 -0.00 0.09 0.99 -0.05 0.00 0.00 175.22 176.19 1sac s THR 34 N -2.01 -0.07 -0.20 -4.49 2.01 -0.87 -1.72 115.64 108.29 1sac s THR 34 Ca 0.12 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1sac s THR 34 Cb -0.01 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.38 1sac s THR 34 CO -0.02 0.09 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.68 1sac s LEU 35 N 1.25 2.33 -0.01 4.42 2.96 0.28 -0.94 118.68 128.97 1sac s LEU 35 Ca -0.08 -0.91 0.04 0.00 -0.22 0.00 0.00 54.13 52.96 1sac s LEU 35 Cb -0.12 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1sac s LEU 35 CO -0.05 -0.15 -0.11 0.00 -1.32 0.00 0.00 176.35 174.73 1sac s PHE 37 N -0.90 -0.46 0.03 0.00 -0.71 0.26 -1.12 117.98 115.07 1sac s PHE 37 Ca 0.15 0.32 -0.05 0.00 -1.04 0.00 0.00 56.93 56.31 1sac s PHE 37 Cb -0.11 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.11 1sac s PHE 37 CO 0.05 -0.77 0.26 1.03 -1.34 0.00 0.00 175.22 174.45 1sac s ARG 38 N -3.37 3.54 0.02 1.99 0.52 -0.43 -0.64 118.95 120.58 1sac s ARG 38 Ca -0.00 -0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 55.00 1sac s ARG 38 Cb -0.00 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 1sac s ARG 38 CO -0.09 0.63 0.07 0.00 0.02 0.00 0.00 175.30 175.92 1sac s ALA 39 N -1.37 -0.12 -0.25 2.13 0.00 0.79 -1.12 121.76 121.82 1sac s ALA 39 Ca 0.30 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1sac s ALA 39 Cb -0.13 0.15 0.10 0.00 0.00 0.00 0.00 23.12 23.24 1sac s ALA 39 CO 0.19 -0.21 0.17 -0.47 0.00 0.00 0.00 175.76 175.43 1sac s TYR 40 N -1.66 0.04 0.02 0.00 5.04 0.52 -0.15 117.35 121.15 1sac s TYR 40 Ca -0.13 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1sac s TYR 40 Cb -0.07 -0.67 -0.01 0.00 0.35 0.00 0.00 41.96 41.55 1sac s TYR 40 CO -0.00 -0.73 -0.03 0.45 -1.34 0.00 0.00 175.55 173.90 1sac s SER 41 N 2.20 0.26 -0.23 4.32 0.15 -1.26 -1.34 113.70 117.79 1sac s SER 41 Ca 0.07 -0.34 0.12 0.00 0.70 0.00 0.00 55.95 56.50 1sac s SER 41 Cb -0.16 0.06 0.45 0.00 -1.71 0.00 0.00 66.02 64.66 1sac s SER 41 CO -0.25 -0.18 1.34 -0.90 1.20 0.00 0.00 173.24 174.44 1sac n ASP 42 N 2.08 2.38 -4.72 5.45 5.68 -1.26 -4.59 116.55 121.56 1sac n ASP 42 Ca -0.20 -3.63 -0.41 0.00 -0.50 0.00 0.00 54.79 50.05 1sac n ASP 42 Cb 0.57 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 1sac n ASP 42 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1sac s LEU 43 N -3.14 4.43 0.00 -2.12 2.96 -1.26 -4.96 118.68 114.59 1sac s LEU 43 Ca 0.40 1.87 0.13 0.00 -0.22 0.00 0.00 54.13 56.32 1sac s LEU 43 Cb 0.37 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.36 1sac s LEU 43 CO -0.01 -0.24 0.60 -1.54 -1.32 0.00 0.00 176.35 173.84 1sac n SER 44 N 3.24 0.81 -4.68 3.68 3.41 -1.26 -4.95 113.62 113.86 1sac n SER 44 Ca 0.05 -0.90 -0.27 0.00 -0.26 0.00 0.00 58.87 57.48 1sac n SER 44 Cb 0.48 0.88 0.11 0.00 -0.26 0.00 0.00 64.21 65.42 1sac n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sac s ARG 45 N -2.11 1.67 0.54 4.33 1.70 -1.26 -4.70 118.95 119.12 1sac s ARG 45 Ca 0.06 -0.33 -0.18 0.00 -0.47 0.00 0.00 55.73 54.81 1sac s ARG 45 Cb 0.10 -2.06 -0.06 0.00 -0.57 0.00 0.00 34.95 32.36 1sac s ARG 45 CO 0.49 -1.65 1.04 0.00 -1.08 0.00 0.00 175.30 174.11 1sac s ALA 46 N -3.47 2.83 0.17 7.88 0.00 -1.25 -4.83 121.76 123.08 1sac s ALA 46 Ca 0.65 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 1sac s ALA 46 Cb -0.08 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.84 1sac s ALA 46 CO 0.48 -0.53 0.50 1.52 0.00 0.00 0.00 175.76 177.73 1sac s TYR 47 N -2.24 -0.22 0.08 0.00 -0.85 -0.83 -4.50 117.35 108.79 1sac s TYR 47 Ca 0.65 -0.09 -0.23 0.00 -0.52 0.00 0.00 57.07 56.87 1sac s TYR 47 Cb -0.16 0.38 -0.06 0.00 0.38 0.00 0.00 41.96 42.50 1sac s TYR 47 CO 0.28 -0.84 0.70 0.45 -1.52 0.00 0.00 175.55 174.62 1sac s SER 48 N -2.83 7.20 -0.20 -0.18 0.15 -0.70 -0.55 113.70 116.59 1sac s SER 48 Ca 0.06 1.42 0.10 0.00 0.70 0.00 0.00 55.95 58.24 1sac s SER 48 Cb -0.00 -2.44 -0.19 0.00 -1.71 0.00 0.00 66.02 61.68 1sac s SER 48 CO -0.07 0.14 -0.04 0.18 1.20 0.00 0.00 173.24 174.65 1sac n LEU 49 N 2.21 1.15 -3.49 3.45 7.99 0.23 -4.40 117.00 124.15 1sac n LEU 49 Ca -0.06 -0.05 0.01 0.00 -0.01 0.00 0.00 56.01 55.90 1sac n LEU 49 Cb 0.50 -0.04 -0.03 0.00 -0.11 0.00 0.00 43.42 43.74 1sac n LEU 49 CO 0.45 0.61 0.35 0.12 -1.51 0.00 0.00 177.39 177.41 1sac s PHE 50 N -2.44 -1.18 0.02 -1.77 5.36 -1.15 -4.69 117.98 112.12 1sac s PHE 50 Ca -0.17 1.88 0.04 0.00 -0.96 0.00 0.00 56.93 57.72 1sac s PHE 50 Cb 0.06 0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 43.36 1sac s PHE 50 CO 0.65 -0.60 -0.10 0.45 -1.46 0.00 0.00 175.22 174.16 1sac s SER 51 N 2.78 4.38 -0.25 6.13 0.15 -0.95 -1.24 113.70 124.72 1sac s SER 51 Ca -0.01 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.39 1sac s SER 51 Cb -0.11 -0.94 0.12 0.00 -1.71 0.00 0.00 66.02 63.39 1sac s SER 51 CO -0.19 0.27 0.32 -0.47 1.20 0.00 0.00 173.24 174.37 1sac s TYR 52 N -0.98 -0.60 0.18 3.44 6.14 -0.12 -1.80 117.35 123.60 1sac s TYR 52 Ca 0.17 0.39 0.10 0.00 0.64 0.00 0.00 57.07 58.37 1sac s TYR 52 Cb -0.11 -0.21 -0.04 0.00 0.42 0.00 0.00 41.96 42.02 1sac s TYR 52 CO 0.07 -0.75 -0.22 -0.80 0.64 0.00 0.00 175.55 174.49 1sac s ASN 53 N 2.44 3.12 0.39 4.32 -0.87 -1.14 -2.09 114.94 121.12 1sac s ASN 53 Ca 0.10 -0.85 0.05 0.00 -1.57 0.00 0.00 52.86 50.59 1sac s ASN 53 Cb -0.15 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.25 40.81 1sac s ASN 53 CO -0.20 0.07 0.04 0.42 -2.57 0.00 0.00 177.10 174.86 1sac s THR 54 N -1.75 1.43 -0.31 1.60 -4.23 -0.81 -0.88 115.64 110.69 1sac s THR 54 Ca 0.18 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.37 1sac s THR 54 Cb -0.07 -2.76 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 1sac s THR 54 CO 0.08 0.00 2.22 0.00 -0.54 0.00 0.00 174.62 176.38 1sac n GLN 55 N -0.88 1.39 -0.99 3.99 10.64 -1.26 -0.66 117.38 129.61 1sac n GLN 55 Ca -0.06 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 1sac n GLN 55 Cb 0.67 -2.78 0.00 0.00 -0.86 0.00 0.00 30.24 27.27 1sac n GLN 55 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sac n GLY 56 N 6.24 0.39 2.66 2.61 0.00 -1.26 -5.01 105.19 110.83 1sac n GLY 56 Ca 0.37 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 1sac n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sac s ARG 57 N -1.94 0.24 0.26 1.61 0.52 0.16 -5.12 118.95 114.68 1sac s ARG 57 Ca 0.00 -0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 54.94 1sac s ARG 57 Cb 0.00 -1.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.69 1sac s ARG 57 CO 0.00 -0.60 0.70 0.34 0.02 0.00 0.00 175.30 175.76 1sac s ASP 58 N 2.06 6.88 -1.30 0.23 2.15 -1.26 -1.92 116.67 123.50 1sac s ASP 58 Ca 0.02 1.29 -0.16 0.00 0.43 0.00 0.00 52.55 54.14 1sac s ASP 58 Cb -0.16 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1sac s ASP 58 CO -0.08 -0.08 0.53 0.59 -0.17 0.00 0.00 175.17 175.97 1sac n ASN 59 N 0.19 -2.59 0.06 -0.34 3.02 -1.26 -4.12 115.26 110.22 1sac n ASN 59 Ca 0.00 -1.13 -0.07 0.00 -0.03 0.00 0.00 54.58 53.34 1sac n ASN 59 Cb 0.52 -2.54 0.08 0.00 -0.61 0.00 0.00 39.78 37.22 1sac n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1sac h GLU 60 N -2.07 0.35 -1.31 3.52 4.57 -1.66 0.80 114.58 118.78 1sac h GLU 60 Ca -0.67 -0.25 0.10 0.00 -1.18 0.00 0.00 59.36 57.36 1sac h GLU 60 Cb 1.38 0.04 -0.21 0.00 -0.16 0.00 0.00 28.75 29.81 1sac h GLU 60 CO 0.57 0.87 -0.18 -1.17 -1.18 0.00 0.00 179.01 177.92 1sac s LEU 61 N -8.00 -1.23 -0.03 1.64 2.96 -0.89 -0.73 118.68 112.40 1sac s LEU 61 Ca -0.05 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1sac s LEU 61 Cb 0.11 2.16 0.03 0.00 0.50 0.00 0.00 46.19 48.99 1sac s LEU 61 CO 0.82 -0.23 0.07 -0.22 -1.32 0.00 0.00 176.35 175.46 1sac s LEU 62 N 2.86 0.96 -0.26 -0.68 2.96 -0.86 -0.94 118.68 122.72 1sac s LEU 62 Ca 0.10 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1sac s LEU 62 Cb -0.13 0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.65 1sac s LEU 62 CO -0.20 -0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.97 1sac s VAL 63 N 1.11 2.97 -0.07 1.68 1.01 -0.37 -0.33 120.40 126.40 1sac s VAL 63 Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1sac s VAL 63 Cb -0.13 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1sac s VAL 63 CO -0.04 0.15 -0.10 -0.47 0.00 0.00 0.00 175.10 174.64 1sac s TYR 64 N 1.33 1.36 -0.34 5.22 5.04 -0.32 -0.60 117.35 129.04 1sac s TYR 64 Ca -0.00 -0.53 -0.14 0.00 -2.44 0.00 0.00 57.07 53.96 1sac s TYR 64 Cb -0.17 -1.05 -0.02 0.00 0.35 0.00 0.00 41.96 41.07 1sac s TYR 64 CO -0.03 -0.32 0.28 0.21 -1.34 0.00 0.00 175.55 174.35 1sac s LYS 65 N 0.95 3.56 0.03 4.97 2.20 0.29 -0.98 119.74 130.76 1sac s LYS 65 Ca -0.09 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 54.75 1sac s LYS 65 Cb -0.15 -3.79 -0.16 0.00 -1.51 0.00 0.00 37.83 32.22 1sac s LYS 65 CO 0.00 -0.45 1.45 0.93 -0.36 0.00 0.00 175.35 176.92 1sac h GLU 66 N 8.47 0.12 0.00 4.03 4.39 -1.76 -2.21 114.58 127.60 1sac h GLU 66 Ca -0.31 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.48 1sac h GLU 66 Cb 1.16 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1sac h GLU 66 CO 0.65 0.41 0.41 2.89 -1.16 0.00 0.00 179.01 182.20 1sac n ARG 67 N -4.85 0.33 -1.95 2.33 1.85 -1.23 -3.92 116.66 109.23 1sac n ARG 67 Ca -0.07 -0.81 -0.42 0.00 -1.00 0.00 0.00 57.85 55.55 1sac n ARG 67 Cb 0.20 1.13 -0.03 0.00 -1.05 0.00 0.00 32.46 32.71 1sac n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1sac s VAL 68 N -2.21 2.95 0.00 8.89 1.01 -1.26 -2.64 120.40 127.14 1sac s VAL 68 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1sac s VAL 68 Cb -0.01 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1sac s VAL 68 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1sac n GLY 69 N 3.89 0.77 3.38 4.51 0.00 -1.26 -5.01 105.19 111.46 1sac n GLY 69 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1sac n GLY 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sac s GLU 70 N -0.58 0.50 -0.03 1.61 -1.05 -1.08 -0.60 118.70 117.48 1sac s GLU 70 Ca 0.00 0.86 0.08 0.00 -0.15 0.00 0.00 54.97 55.76 1sac s GLU 70 Cb 0.00 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.75 1sac s GLU 70 CO 0.00 -0.14 -0.25 0.71 0.95 0.00 0.00 175.26 176.53 1sac s TYR 71 N 1.19 2.30 0.10 4.83 1.51 -1.05 -2.45 117.35 123.79 1sac s TYR 71 Ca -0.07 -0.48 0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1sac s TYR 71 Cb -0.07 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1sac s TYR 71 CO -0.11 -0.07 -0.25 -1.12 -1.11 0.00 0.00 175.55 172.88 1sac s SER 72 N -0.52 3.09 -0.08 2.29 0.01 -0.15 -1.31 113.70 117.04 1sac s SER 72 Ca 0.07 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.67 1sac s SER 72 Cb -0.10 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.92 1sac s SER 72 CO -0.00 0.18 -0.11 -0.22 0.41 0.00 0.00 173.24 173.49 1sac s LEU 73 N -1.78 1.56 -0.14 2.44 2.96 0.21 -1.17 118.68 122.76 1sac s LEU 73 Ca 0.12 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1sac s LEU 73 Cb -0.10 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 1sac s LEU 73 CO 0.04 0.00 0.00 -0.31 -1.32 0.00 0.00 176.35 174.77 1sac s TYR 74 N 0.87 3.13 -0.20 5.38 1.51 0.55 -1.19 117.35 127.40 1sac s TYR 74 Ca -0.11 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 55.91 1sac s TYR 74 Cb -0.15 -1.93 0.06 0.00 -0.11 0.00 0.00 41.96 39.83 1sac s TYR 74 CO 0.01 0.20 0.02 0.42 -1.11 0.00 0.00 175.55 175.09 1sac s ILE 75 N -0.09 0.72 -1.30 2.71 -1.09 0.14 -2.03 121.20 120.26 1sac s ILE 75 Ca 0.04 -0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1sac s ILE 75 Cb -0.13 -1.17 0.01 0.00 -1.58 0.00 0.00 42.46 39.59 1sac s ILE 75 CO 0.02 -0.18 1.06 0.61 -1.23 0.00 0.00 174.94 175.23 1sac n GLY 76 N 4.98 -0.45 3.50 6.18 0.00 0.09 -2.38 105.19 117.11 1sac n GLY 76 Ca -0.10 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1sac n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sac n ARG 77 N -4.57 0.00 -3.58 1.61 1.74 0.27 -4.97 116.66 107.16 1sac n ARG 77 Ca -0.14 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.62 1sac n ARG 77 Cb 0.61 -2.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.51 1sac n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sac s HIS 78 N -2.63 3.49 0.13 -1.55 3.76 -1.00 -5.08 115.29 112.41 1sac s HIS 78 Ca 0.00 0.71 0.01 0.00 -0.15 0.00 0.00 55.06 55.63 1sac s HIS 78 Cb 0.00 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1sac s HIS 78 CO 0.00 0.42 -0.02 -1.59 -0.85 0.00 0.00 174.74 172.70 1sac s LYS 79 N -2.47 0.95 0.02 1.40 -2.85 -1.26 -0.68 119.74 114.85 1sac s LYS 79 Ca 0.40 -1.43 0.01 0.00 -1.00 0.00 0.00 55.97 53.95 1sac s LYS 79 Cb -0.12 -0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.49 1sac s LYS 79 CO 0.22 -0.11 -0.04 0.54 0.10 0.00 0.00 175.35 176.05 1sac s VAL 80 N -3.72 0.27 0.02 1.79 0.11 -0.34 -5.01 120.40 113.52 1sac s VAL 80 Ca 0.19 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1sac s VAL 80 Cb 0.06 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1sac s VAL 80 CO -0.00 -0.36 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.46 1sac s THR 81 N -1.17 0.40 0.03 5.04 2.01 -1.26 -0.62 115.64 120.07 1sac s THR 81 Ca -0.11 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1sac s THR 81 Cb -0.08 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1sac s THR 81 CO -0.00 -0.13 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.28 1sac s SER 82 N -0.78 0.80 0.21 3.53 0.01 -0.42 -5.00 113.70 112.04 1sac s SER 82 Ca -0.04 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1sac s SER 82 Cb -0.06 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1sac s SER 82 CO -0.00 -0.10 0.32 -0.54 0.41 0.00 0.00 173.24 173.33 1sac s LYS 83 N -1.05 3.39 0.12 12.44 1.02 -1.26 -2.53 119.74 131.87 1sac s LYS 83 Ca -0.05 -0.73 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 1sac s LYS 83 Cb -0.07 -2.89 0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1sac s LYS 83 CO 0.00 0.46 0.44 0.54 -0.92 0.00 0.00 175.35 175.87 1sac s VAL 84 N -1.90 0.05 -0.14 3.17 0.11 0.23 -4.68 120.40 117.25 1sac s VAL 84 Ca 0.34 -0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 58.75 1sac s VAL 84 Cb -0.10 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1sac s VAL 84 CO 0.28 -0.25 0.50 -0.63 -3.33 0.00 0.00 175.10 171.68 1sac s ILE 85 N -3.58 5.16 0.05 7.04 1.01 -1.26 -4.44 121.20 125.17 1sac s ILE 85 Ca 0.01 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.39 1sac s ILE 85 Cb 0.01 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.71 1sac s ILE 85 CO -0.11 0.28 0.61 -1.83 0.00 0.00 0.00 174.94 173.89 1sac s GLU 86 N 0.94 1.14 0.48 2.79 -1.05 -1.26 -5.04 118.70 116.69 1sac s GLU 86 Ca 0.26 -0.14 -0.15 0.00 -0.15 0.00 0.00 54.97 54.79 1sac s GLU 86 Cb -0.15 0.53 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 1sac s GLU 86 CO 0.10 -0.43 0.92 0.15 0.95 0.00 0.00 175.26 176.96 1sac s LYS 87 N -2.47 3.93 -0.03 -4.83 1.02 -1.26 -4.83 119.74 111.27 1sac s LYS 87 Ca -0.05 0.84 -0.01 0.00 0.02 0.00 0.00 55.97 56.77 1sac s LYS 87 Cb -0.01 -2.21 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1sac s LYS 87 CO -0.02 -0.18 0.06 0.12 -0.92 0.00 0.00 175.35 174.41 1sac s PHE 88 N -2.51 -0.01 0.46 3.18 5.36 -1.26 -3.90 117.98 119.31 1sac s PHE 88 Ca 0.57 0.22 -0.20 0.00 -0.96 0.00 0.00 56.93 56.56 1sac s PHE 88 Cb -0.10 -0.24 -0.10 0.00 -0.34 0.00 0.00 43.02 42.25 1sac s PHE 88 CO 0.29 -0.12 0.97 -2.14 -1.46 0.00 0.00 175.22 172.77 1sac s PRO 89 N 1.23 4.10 -0.06 10.12 0.02 -1.26 -5.19 135.00 143.95 1sac s PRO 89 Ca -0.07 1.09 -0.29 0.00 0.02 0.00 0.00 61.00 61.75 1sac s PRO 89 Cb -0.13 -2.16 0.07 0.00 0.02 0.00 0.00 34.50 32.30 1sac s PRO 89 CO -0.04 -0.15 0.65 0.00 -0.33 0.00 0.00 177.00 177.14 1sac s ALA 90 N -2.30 -1.69 0.61 -1.55 0.00 -1.25 -5.11 121.76 110.47 1sac s ALA 90 Ca 0.61 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.68 1sac s ALA 90 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1sac s ALA 90 CO 0.19 -0.36 1.27 -2.14 0.00 0.00 0.00 175.76 174.73 1sac s PRO 91 N -1.08 2.84 -0.01 0.00 0.02 -1.26 -4.66 135.00 130.84 1sac s PRO 91 Ca -0.10 2.00 0.01 0.00 0.02 0.00 0.00 61.00 62.93 1sac s PRO 91 Cb -0.01 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1sac s PRO 91 CO 0.09 -1.36 -0.05 0.54 -0.33 0.00 0.00 177.00 175.89 1sac s VAL 92 N -1.45 0.42 -0.23 3.83 0.11 0.79 -5.00 120.40 118.87 1sac s VAL 92 Ca 0.78 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 59.57 1sac s VAL 92 Cb -0.35 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1sac s VAL 92 CO 0.38 0.14 0.10 -2.28 -3.33 0.00 0.00 175.10 170.12 1sac s HIS 93 N 0.19 3.18 -0.14 1.54 2.46 -1.26 -0.15 115.29 121.10 1sac s HIS 93 Ca -0.02 -0.11 0.01 0.00 0.47 0.00 0.00 55.06 55.42 1sac s HIS 93 Cb -0.06 -2.22 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 1sac s HIS 93 CO -0.00 -0.13 -0.19 0.42 -2.47 0.00 0.00 174.74 172.37 1sac s ILE 94 N 1.22 2.39 -0.08 0.89 1.01 0.19 -0.81 121.20 126.02 1sac s ILE 94 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1sac s ILE 94 Cb -0.14 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1sac s ILE 94 CO 0.04 0.53 -0.10 0.00 0.00 0.00 0.00 174.94 175.42 1sac s VAL 96 N -0.54 1.13 0.16 0.00 0.11 -0.33 -0.35 120.40 120.58 1sac s VAL 96 Ca 0.08 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1sac s VAL 96 Cb -0.12 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1sac s VAL 96 CO 0.02 0.32 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.06 1sac s SER 97 N -0.26 1.94 -0.15 3.54 1.04 -0.38 -0.55 113.70 118.88 1sac s SER 97 Ca 0.04 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 1sac s SER 97 Cb -0.06 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.07 1sac s SER 97 CO -0.00 -0.29 0.38 0.86 0.98 0.00 0.00 173.24 175.17 1sac s TRP 98 N -3.21 -0.49 -0.08 5.02 -0.00 -0.70 -1.11 118.94 118.38 1sac s TRP 98 Ca 0.17 1.11 0.05 0.00 -0.00 0.00 0.00 56.10 57.44 1sac s TRP 98 Cb 0.02 0.19 -0.00 0.00 -0.00 0.00 0.00 33.47 33.67 1sac s TRP 98 CO 0.02 -0.26 -0.24 -1.21 -0.00 0.00 0.00 176.95 175.25 1sac s GLU 99 N 0.76 2.80 0.26 5.86 2.02 -0.96 -2.95 118.70 126.49 1sac s GLU 99 Ca -0.05 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 1sac s GLU 99 Cb -0.06 -2.22 0.32 0.00 0.10 0.00 0.00 34.13 32.28 1sac s GLU 99 CO -0.05 0.27 1.78 1.03 0.02 0.00 0.00 175.26 178.30 1sac h SER 100 N 6.41 0.81 -0.56 -0.19 0.87 -1.57 0.14 113.55 119.47 1sac h SER 100 Ca -0.25 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.10 1sac h SER 100 Cb 1.21 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1sac h SER 100 CO 0.47 0.84 0.22 0.77 -0.53 0.00 0.00 176.83 178.60 1sac h SER 101 N 0.81 0.80 0.00 6.23 4.64 -1.91 0.39 113.55 124.51 1sac h SER 101 Ca 0.17 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1sac h SER 101 Cb 0.39 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1sac h SER 101 CO 0.01 0.73 -0.69 -1.54 -0.87 0.00 0.00 176.83 174.47 1sac n SER 102 N -4.31 1.16 0.00 4.97 3.41 -1.19 -4.71 113.62 112.94 1sac n SER 102 Ca 0.05 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1sac n SER 102 Cb 0.18 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 1sac n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sac n GLY 103 N 1.44 0.60 3.69 5.00 0.00 0.49 -4.82 105.19 111.59 1sac n GLY 103 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sac n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sac s ILE 104 N -2.52 4.80 -0.19 -0.61 -1.09 -1.16 -0.02 121.20 120.42 1sac s ILE 104 Ca 0.00 2.00 -0.10 0.00 -2.23 0.00 0.00 60.65 60.32 1sac s ILE 104 Cb 0.00 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1sac s ILE 104 CO 0.00 0.02 0.14 0.00 -1.23 0.00 0.00 174.94 173.87 1sac s ALA 105 N 1.94 3.70 -0.19 9.38 0.00 0.29 -2.26 121.76 134.61 1sac s ALA 105 Ca 0.48 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1sac s ALA 105 Cb -0.18 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.80 1sac s ALA 105 CO 0.18 0.20 -0.18 -1.21 0.00 0.00 0.00 175.76 174.76 1sac s GLU 106 N 0.22 2.89 -0.09 0.00 2.02 -0.27 -2.65 118.70 120.82 1sac s GLU 106 Ca 0.09 -0.90 -0.10 0.00 0.02 0.00 0.00 54.97 54.08 1sac s GLU 106 Cb -0.11 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 1sac s GLU 106 CO -0.01 -0.27 0.23 -0.06 0.02 0.00 0.00 175.26 175.17 1sac s PHE 107 N 1.27 3.62 -0.17 1.61 0.08 -1.26 -1.24 117.98 121.88 1sac s PHE 107 Ca 0.03 0.66 0.01 0.00 0.12 0.00 0.00 56.93 57.74 1sac s PHE 107 Cb -0.14 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.25 1sac s PHE 107 CO -0.11 0.65 -0.17 -1.58 -0.10 0.00 0.00 175.22 173.90 1sac s TRP 108 N -0.84 2.56 -0.23 0.36 0.52 0.53 -1.15 118.94 120.68 1sac s TRP 108 Ca 0.17 -1.51 -0.04 0.00 0.02 0.00 0.00 56.10 54.74 1sac s TRP 108 Cb -0.13 -1.80 -0.00 0.00 -1.15 0.00 0.00 33.47 30.39 1sac s TRP 108 CO 0.06 -0.76 -0.03 0.42 0.02 0.00 0.00 176.95 176.66 1sac s ILE 109 N 1.36 3.38 -1.42 2.03 -1.09 -0.18 -1.41 121.20 123.87 1sac s ILE 109 Ca 0.05 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1sac s ILE 109 Cb -0.13 -2.59 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 1sac s ILE 109 CO -0.12 0.35 0.53 0.59 -1.23 0.00 0.00 174.94 175.06 1sac n ASN 110 N 4.79 -0.95 0.00 3.58 3.02 0.01 -1.75 115.26 123.95 1sac n ASN 110 Ca -0.17 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1sac n ASN 110 Cb 0.50 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 1sac n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sac n GLY 111 N -1.84 1.07 3.23 7.41 0.00 -1.26 -5.02 105.19 108.78 1sac n GLY 111 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1sac n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sac s THR 112 N -2.67 2.56 0.05 2.61 2.01 -0.72 -5.00 115.64 114.47 1sac s THR 112 Ca 0.00 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1sac s THR 112 Cb 0.00 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1sac s THR 112 CO 0.00 0.51 1.12 -2.16 -0.69 0.00 0.00 174.62 173.41 1sac s PRO 113 N 0.97 4.48 0.85 4.92 0.04 -1.26 -1.01 135.00 144.00 1sac s PRO 113 Ca -0.02 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1sac s PRO 113 Cb -0.15 -3.38 0.15 0.00 0.04 0.00 0.00 34.50 31.16 1sac s PRO 113 CO -0.03 -0.17 1.19 -0.51 0.04 0.00 0.00 177.00 177.52 1sac s LEU 114 N 0.97 2.75 0.26 -3.56 1.43 -0.30 -4.96 118.68 115.27 1sac s LEU 114 Ca 0.56 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 1sac s LEU 114 Cb -0.27 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 1sac s LEU 114 CO 0.29 -2.27 1.44 -0.69 0.23 0.00 0.00 176.35 175.35 1sac s VAL 115 N -3.60 2.63 0.43 -1.59 1.01 -1.26 -4.74 120.40 113.28 1sac s VAL 115 Ca 0.69 0.54 -0.23 0.00 0.00 0.00 0.00 61.98 62.97 1sac s VAL 115 Cb -0.06 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1sac s VAL 115 CO 0.49 0.09 1.08 -0.54 0.00 0.00 0.00 175.10 176.23 1sac s LYS 116 N -0.51 3.99 0.14 2.72 1.02 -1.26 -4.79 119.74 121.05 1sac s LYS 116 Ca 0.59 1.57 0.03 0.00 0.02 0.00 0.00 55.97 58.18 1sac s LYS 116 Cb -0.42 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1sac s LYS 116 CO 0.44 -0.31 -0.06 0.15 -0.92 0.00 0.00 175.35 174.66 1sac s LYS 117 N -2.66 1.02 0.01 1.68 -0.14 -1.08 -5.01 119.74 113.56 1sac s LYS 117 Ca 0.61 -1.45 0.02 0.00 -1.36 0.00 0.00 55.97 53.78 1sac s LYS 117 Cb -0.23 -0.41 -0.01 0.00 -1.68 0.00 0.00 37.83 35.50 1sac s LYS 117 CO 0.29 -0.02 -0.05 0.20 -0.76 0.00 0.00 175.35 175.01 1sac s GLY 118 N -3.14 0.31 -0.10 -3.33 0.00 -1.26 0.11 107.32 99.91 1sac s GLY 118 Ca 0.18 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 1sac s GLY 118 CO 0.00 -0.41 0.73 0.48 0.00 0.00 0.00 173.10 173.91 1sac s LEU 119 N -0.67 -0.64 -1.19 0.66 2.34 0.98 -4.96 118.68 115.20 1sac s LEU 119 Ca -0.03 0.81 -0.06 0.00 0.06 0.00 0.00 54.13 54.91 1sac s LEU 119 Cb -0.05 2.44 0.01 0.00 -0.56 0.00 0.00 46.19 48.02 1sac s LEU 119 CO -0.00 -0.51 1.03 0.54 -1.06 0.00 0.00 176.35 176.35 1sac n ARG 120 N 1.21 -6.90 -1.69 1.48 5.12 -1.26 -4.49 116.66 110.14 1sac n ARG 120 Ca -0.17 0.76 -0.42 0.00 -1.93 0.00 0.00 57.85 56.09 1sac n ARG 120 Cb 0.57 -5.58 -0.03 0.00 -1.16 0.00 0.00 32.46 26.26 1sac n ARG 120 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1sac n GLN 121 N -4.37 2.80 -0.44 5.56 7.27 -1.26 -1.89 117.38 125.05 1sac n GLN 121 Ca -0.08 1.02 0.00 0.00 0.07 0.00 0.00 57.00 58.01 1sac n GLN 121 Cb 0.59 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.31 1sac n GLN 121 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sac n GLY 122 N 4.29 0.76 3.97 1.69 0.00 0.14 -4.98 105.19 111.06 1sac n GLY 122 Ca 0.18 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1sac n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sac s TYR 123 N -2.00 3.32 -0.13 1.61 5.04 -0.79 -5.05 117.35 119.35 1sac s TYR 123 Ca 0.00 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1sac s TYR 123 Cb 0.00 -1.80 0.03 0.00 0.35 0.00 0.00 41.96 40.54 1sac s TYR 123 CO 0.00 0.20 -0.04 -0.06 -1.34 0.00 0.00 175.55 174.31 1sac s PHE 124 N -2.12 1.30 -0.23 4.97 0.08 -1.26 -4.69 117.98 116.03 1sac s PHE 124 Ca 0.39 -0.71 -0.29 0.00 0.12 0.00 0.00 56.93 56.44 1sac s PHE 124 Cb -0.09 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1sac s PHE 124 CO 0.31 -0.51 1.59 0.14 -0.10 0.00 0.00 175.22 176.66 1sac s VAL 125 N 1.77 3.72 0.91 -0.44 -7.23 -0.86 -4.82 120.40 113.45 1sac s VAL 125 Ca 0.03 0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 60.91 1sac s VAL 125 Cb -0.14 -3.75 0.14 0.00 0.56 0.00 0.00 36.38 33.20 1sac s VAL 125 CO -0.07 -0.32 1.14 -0.62 -0.31 0.00 0.00 175.10 174.92 1sac n GLU 126 N 7.66 -0.40 -2.57 4.82 -0.58 -1.26 0.21 120.64 128.52 1sac n GLU 126 Ca 0.19 -0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.65 1sac n GLU 126 Cb 0.45 -2.37 0.07 0.00 -0.57 0.00 0.00 31.44 29.02 1sac n GLU 126 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sac s ALA 127 N -2.58 3.75 -0.90 0.62 0.00 -1.26 -4.66 121.76 116.72 1sac s ALA 127 Ca 0.67 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1sac s ALA 127 Cb -0.24 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1sac s ALA 127 CO 0.58 -1.06 0.78 1.04 0.00 0.00 0.00 175.76 177.10 1sac n GLN 128 N -2.58 -1.66 -3.17 0.00 6.02 -1.04 -4.80 117.38 110.16 1sac n GLN 128 Ca 0.10 1.10 -0.21 0.00 -0.01 0.00 0.00 57.00 57.99 1sac n GLN 128 Cb 0.60 -5.37 0.01 0.00 1.02 0.00 0.00 30.24 26.50 1sac n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sac s PRO 129 N -3.98 3.05 -0.36 -1.09 0.04 -1.26 -4.53 135.00 126.86 1sac s PRO 129 Ca 0.22 -0.74 -0.03 0.00 0.04 0.00 0.00 61.00 60.50 1sac s PRO 129 Cb -0.04 -2.67 0.08 0.00 0.04 0.00 0.00 34.50 31.91 1sac s PRO 129 CO 0.77 -0.16 0.12 0.15 0.04 0.00 0.00 177.00 177.92 1sac s LYS 130 N -4.41 2.18 -0.21 4.56 -0.14 -0.06 -4.94 119.74 116.72 1sac s LYS 130 Ca 0.48 -1.58 -0.08 0.00 -1.36 0.00 0.00 55.97 53.43 1sac s LYS 130 Cb -0.10 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 1sac s LYS 130 CO 0.35 -0.88 0.08 0.42 -0.76 0.00 0.00 175.35 174.56 1sac s ILE 131 N 1.19 4.74 0.02 2.17 1.01 -1.26 -2.86 121.20 126.22 1sac s ILE 131 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1sac s ILE 131 Cb -0.21 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1sac s ILE 131 CO -0.03 0.40 -0.12 0.68 0.00 0.00 0.00 174.94 175.87 1sac s VAL 132 N 0.90 0.92 -0.09 2.92 -7.23 -0.75 -1.15 120.40 115.93 1sac s VAL 132 Ca 0.04 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1sac s VAL 132 Cb -0.14 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1sac s VAL 132 CO 0.03 0.02 0.00 -0.76 -0.31 0.00 0.00 175.10 174.08 1sac s LEU 133 N -0.90 3.57 0.00 1.32 1.02 -0.70 -2.23 118.68 120.76 1sac s LEU 133 Ca 0.01 0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.29 1sac s LEU 133 Cb -0.07 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.32 1sac s LEU 133 CO 0.01 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.35 1sac n GLY 134 N 2.26 3.45 3.16 -3.19 0.00 -1.26 -2.09 105.19 107.52 1sac n GLY 134 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1sac n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sac s GLN 135 N -0.91 0.69 -0.23 1.61 -1.52 -1.26 -1.56 119.66 116.49 1sac s GLN 135 Ca 0.00 -0.83 -0.08 0.00 -1.95 0.00 0.00 55.36 52.50 1sac s GLN 135 Cb 0.00 0.28 -0.04 0.00 -0.22 0.00 0.00 33.01 33.03 1sac s GLN 135 CO 0.00 -0.19 0.10 -2.00 -0.25 0.00 0.00 175.29 172.95 1sac s GLU 136 N -3.09 3.88 0.39 2.91 -6.30 -1.26 -4.58 118.70 110.65 1sac s GLU 136 Ca -0.01 -0.37 -0.17 0.00 -2.50 0.00 0.00 54.97 51.92 1sac s GLU 136 Cb 0.02 -3.38 -0.09 0.00 0.00 0.00 0.00 34.13 30.67 1sac s GLU 136 CO -0.07 0.01 0.84 -0.65 0.02 0.00 0.00 175.26 175.41 1sac s GLN 137 N 1.14 4.06 0.00 4.30 -0.21 -1.26 -4.03 119.66 123.65 1sac s GLN 137 Ca 0.05 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.28 1sac s GLN 137 Cb -0.14 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.57 1sac s GLN 137 CO 0.04 0.03 0.02 -0.25 -2.12 0.00 0.00 175.29 173.01 1sac n ASP 138 N -0.67 0.05 -3.99 5.90 8.00 0.28 -4.72 116.55 121.40 1sac n ASP 138 Ca 0.05 -0.36 -0.25 0.00 0.71 0.00 0.00 54.79 54.93 1sac n ASP 138 Cb 0.54 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 1sac n ASP 138 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sac n SER 139 N -0.11 2.38 -4.55 -2.24 3.41 -0.40 -4.84 113.62 107.26 1sac n SER 139 Ca 0.00 -2.90 -0.36 0.00 -0.26 0.00 0.00 58.87 55.35 1sac n SER 139 Cb 0.06 0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1sac n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sac s TYR 140 N -2.70 1.91 0.00 7.33 5.04 -1.26 -3.41 117.35 124.26 1sac s TYR 140 Ca 0.07 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1sac s TYR 140 Cb 0.00 -4.24 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1sac s TYR 140 CO 0.05 -2.07 0.00 0.41 -1.34 0.00 0.00 175.55 172.60 1sac n GLY 141 N 6.09 0.11 0.00 8.97 0.00 -1.26 -5.01 105.19 114.09 1sac n GLY 141 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1sac n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sac n GLY 142 N -1.85 4.15 3.52 -0.02 0.00 -1.22 -4.98 105.19 104.78 1sac n GLY 142 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1sac n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sac n LYS 143 N 0.00 -1.57 -1.32 1.61 5.02 -1.26 -0.55 118.16 120.09 1sac n LYS 143 Ca 0.00 0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 56.62 1sac n LYS 143 Cb 0.00 -4.72 0.13 0.00 -0.02 0.00 0.00 35.03 30.42 1sac n LYS 143 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sac s PHE 144 N -3.42 2.44 -0.13 2.13 0.08 -1.26 -3.14 117.98 114.67 1sac s PHE 144 Ca 0.46 1.15 -0.04 0.00 0.12 0.00 0.00 56.93 58.62 1sac s PHE 144 Cb -0.13 -3.19 0.06 0.00 -0.57 0.00 0.00 43.02 39.19 1sac s PHE 144 CO 0.82 -2.31 0.12 0.34 -0.10 0.00 0.00 175.22 174.09 1sac s ASP 145 N -3.61 1.65 0.57 1.36 -1.08 -1.26 -5.00 116.67 109.31 1sac s ASP 145 Ca 0.63 -0.24 0.27 0.00 -0.52 0.00 0.00 52.55 52.69 1sac s ASP 145 Cb -0.17 -0.02 1.56 0.00 -1.46 0.00 0.00 42.92 42.83 1sac s ASP 145 CO 0.56 -0.31 2.07 -0.09 0.52 0.00 0.00 175.17 177.92 1sac h ARG 146 N 8.40 0.00 -0.01 4.34 1.12 -1.92 0.39 114.38 126.69 1sac h ARG 146 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 1sac h ARG 146 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1sac h ARG 146 CO 0.23 0.00 -0.03 -1.13 -3.11 0.00 0.00 179.97 175.93 1sac n SER 147 N -3.96 1.01 -0.09 -3.80 3.41 -1.26 -2.98 113.62 105.95 1sac n SER 147 Ca 0.03 -1.24 0.01 0.00 -0.26 0.00 0.00 58.87 57.41 1sac n SER 147 Cb 0.39 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1sac n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sac n GLN 148 N -0.28 1.85 -1.94 4.33 6.02 0.11 -4.70 117.38 122.77 1sac n GLN 148 Ca 0.19 -1.29 -0.33 0.00 -0.01 0.00 0.00 57.00 55.57 1sac n GLN 148 Cb 0.29 -1.04 0.02 0.00 1.02 0.00 0.00 30.24 30.53 1sac n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1sac s SER 149 N -0.74 5.56 -0.23 1.08 1.04 -1.14 -1.72 113.70 117.56 1sac s SER 149 Ca 0.03 1.86 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 1sac s SER 149 Cb 0.02 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1sac s SER 149 CO 0.02 -1.32 0.07 0.12 0.98 0.00 0.00 173.24 173.12 1sac s PHE 150 N -2.44 3.13 -0.12 5.02 5.36 -0.60 -4.69 117.98 123.64 1sac s PHE 150 Ca 0.64 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 56.38 1sac s PHE 150 Cb -0.17 -2.19 0.02 0.00 -0.34 0.00 0.00 43.02 40.33 1sac s PHE 150 CO 0.39 -0.20 -0.12 0.54 -1.46 0.00 0.00 175.22 174.37 1sac s VAL 151 N 1.25 1.35 -5.00 3.12 0.11 -1.26 -4.69 120.40 115.27 1sac s VAL 151 Ca 0.05 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1sac s VAL 151 Cb -0.14 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1sac s VAL 151 CO 0.04 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1sac n GLY 152 N 4.56 0.25 3.24 6.54 0.00 -0.43 -4.53 105.19 114.81 1sac n GLY 152 Ca -0.17 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 1sac n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sac s GLU 153 N -2.00 1.87 -0.04 1.61 2.02 -0.45 0.20 118.70 121.91 1sac s GLU 153 Ca 0.00 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.25 1sac s GLU 153 Cb 0.00 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 1sac s GLU 153 CO 0.00 0.45 -0.19 0.42 0.02 0.00 0.00 175.26 175.96 1sac s ILE 154 N -0.44 1.59 0.22 -1.63 1.01 -0.60 -0.35 121.20 120.98 1sac s ILE 154 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1sac s ILE 154 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1sac s ILE 154 CO -0.00 0.45 0.17 -0.83 0.00 0.00 0.00 174.94 174.73 1sac s GLY 155 N -0.08 1.46 -1.43 6.18 0.00 -0.27 -1.64 107.32 111.54 1sac s GLY 155 Ca -0.02 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 42.98 1sac s GLY 155 CO 0.02 -1.35 0.64 1.22 0.00 0.00 0.00 173.10 173.63 1sac n ASP 156 N -0.41 -1.64 -4.69 1.64 8.00 -1.26 -1.32 116.55 116.88 1sac n ASP 156 Ca 0.02 -0.91 -0.40 0.00 0.71 0.00 0.00 54.79 54.22 1sac n ASP 156 Cb 0.65 -3.48 -0.05 0.00 -0.02 0.00 0.00 41.12 38.22 1sac n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sac s LEU 157 N -6.96 4.22 -0.01 0.64 0.20 -1.26 -4.07 118.68 111.44 1sac s LEU 157 Ca 0.19 0.94 0.03 0.00 0.69 0.00 0.00 54.13 55.98 1sac s LEU 157 Cb -0.10 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.74 1sac s LEU 157 CO 0.86 -0.18 -0.10 -0.31 -0.29 0.00 0.00 176.35 176.33 1sac s TYR 158 N 1.37 0.91 -0.04 5.38 1.51 -0.28 -2.09 117.35 124.11 1sac s TYR 158 Ca 0.31 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 1sac s TYR 158 Cb -0.16 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1sac s TYR 158 CO 0.12 -0.02 -0.03 1.41 -1.11 0.00 0.00 175.55 175.93 1sac s MET 159 N -0.22 0.64 0.21 -0.62 1.75 0.62 -1.55 119.30 120.14 1sac s MET 159 Ca 0.04 -0.05 0.09 0.00 -1.25 0.00 0.00 55.69 54.52 1sac s MET 159 Cb -0.04 -0.70 -0.04 0.00 2.84 0.00 0.00 34.83 36.88 1sac s MET 159 CO -0.00 -0.09 -0.03 -1.58 -0.65 0.00 0.00 175.02 172.66 1sac s TRP 160 N 0.92 2.72 -0.46 4.11 0.51 -0.11 -1.14 118.94 125.48 1sac s TRP 160 Ca -0.11 -0.20 0.04 0.00 -2.12 0.00 0.00 56.10 53.71 1sac s TRP 160 Cb -0.14 -1.27 0.58 0.00 -0.81 0.00 0.00 33.47 31.83 1sac s TRP 160 CO -0.00 0.56 1.83 -0.40 -0.51 0.00 0.00 176.95 178.42 1sac n ASP 161 N -0.40 4.42 -4.06 2.95 5.75 -1.26 -2.06 116.55 121.89 1sac n ASP 161 Ca -0.09 -3.69 -0.08 0.00 -0.01 0.00 0.00 54.79 50.93 1sac n ASP 161 Cb 0.57 -0.81 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 1sac n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1sac s SER 162 N -1.75 0.41 -0.42 -1.12 1.04 -1.26 -4.30 113.70 106.31 1sac s SER 162 Ca 0.56 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.86 1sac s SER 162 Cb 0.47 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1sac s SER 162 CO 0.06 -0.51 1.20 -0.69 0.98 0.00 0.00 173.24 174.28 1sac s VAL 163 N -3.16 4.19 0.26 5.02 1.01 -1.26 -2.92 120.40 123.53 1sac s VAL 163 Ca -0.00 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 1sac s VAL 163 Cb 0.02 -4.44 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1sac s VAL 163 CO -0.07 -0.81 1.31 -0.76 0.00 0.00 0.00 175.10 174.76 1sac s LEU 164 N 4.50 4.43 0.77 3.92 1.02 -1.26 -5.05 118.68 127.01 1sac s LEU 164 Ca 0.51 2.52 -0.12 0.00 0.02 0.00 0.00 54.13 57.06 1sac s LEU 164 Cb -0.10 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.53 1sac s LEU 164 CO 0.28 -0.51 1.13 -2.16 0.02 0.00 0.00 176.35 175.10 1sac s PRO 165 N -0.83 2.32 0.43 1.29 0.04 -1.26 -4.80 135.00 132.20 1sac s PRO 165 Ca 0.53 0.35 0.11 0.00 0.04 0.00 0.00 61.00 62.04 1sac s PRO 165 Cb -0.38 -1.97 0.99 0.00 0.04 0.00 0.00 34.50 33.18 1sac s PRO 165 CO 0.44 -1.39 2.04 -1.35 0.04 0.00 0.00 177.00 176.77 1sac h PRO 166 N -0.91 0.41 0.00 0.56 0.11 -1.99 0.11 132.00 130.29 1sac h PRO 166 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1sac h PRO 166 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1sac h PRO 166 CO 0.64 0.27 -0.29 0.93 -0.21 0.00 0.00 178.00 179.34 1sac h GLU 167 N 0.42 0.00 0.18 1.05 3.07 -1.99 -1.35 114.58 115.97 1sac h GLU 167 Ca 0.19 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.74 1sac h GLU 167 Cb 0.22 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1sac h GLU 167 CO -0.05 0.29 -1.39 -0.91 -1.40 0.00 0.00 179.01 175.56 1sac h ASN 168 N 0.00 0.60 -1.01 1.42 2.35 -1.14 -2.18 115.58 115.63 1sac h ASN 168 Ca -0.00 -0.67 0.07 0.00 -0.55 0.00 0.00 56.30 55.15 1sac h ASN 168 Cb 0.61 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.71 1sac h ASN 168 CO 0.04 1.53 0.65 0.40 -1.65 0.00 0.00 177.43 178.39 1sac h ILE 169 N 0.10 1.08 -0.21 2.81 1.08 -1.34 -1.84 117.51 119.19 1sac h ILE 169 Ca -0.20 -0.40 -0.20 0.00 -0.39 0.00 0.00 64.86 63.67 1sac h ILE 169 Cb 2.06 -0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1sac h ILE 169 CO 0.23 0.21 -0.66 0.25 -0.69 0.00 0.00 178.15 177.49 1sac h LEU 170 N 1.17 0.90 -0.07 1.44 5.85 -1.18 -0.54 115.31 122.89 1sac h LEU 170 Ca 0.44 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1sac h LEU 170 Cb 0.19 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1sac h LEU 170 CO -0.18 1.33 -0.11 0.28 -0.34 0.00 0.00 178.44 179.42 1sac h SER 171 N 0.57 -0.34 -0.08 1.25 0.02 -1.09 -1.67 113.55 112.22 1sac h SER 171 Ca -0.02 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1sac h SER 171 Cb 1.27 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.94 1sac h SER 171 CO 0.14 -0.15 -0.07 0.00 -1.14 0.00 0.00 176.83 175.60 1sac h ALA 172 N 0.87 -0.01 -0.86 3.77 0.00 -1.15 0.20 119.26 122.09 1sac h ALA 172 Ca 0.06 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1sac h ALA 172 Cb 0.25 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1sac h ALA 172 CO -0.16 -0.54 0.57 -0.92 0.00 0.00 0.00 179.25 178.20 1sac h TYR 173 N -0.09 0.56 -0.08 0.00 3.20 -0.91 -1.09 116.97 118.55 1sac h TYR 173 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1sac h TYR 173 Cb 0.17 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1sac h TYR 173 CO -0.18 0.17 0.00 1.04 -1.64 0.00 0.00 178.16 177.55 1sac n GLN 174 N -4.51 1.95 0.00 1.82 6.02 -0.65 -4.92 117.38 117.10 1sac n GLN 174 Ca 0.18 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 1sac n GLN 174 Cb 0.62 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1sac n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sac n GLY 175 N 1.19 1.00 2.58 1.08 0.00 0.35 -5.04 105.19 106.35 1sac n GLY 175 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1sac n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sac n THR 176 N -0.16 1.62 -2.43 2.61 -2.24 0.43 -4.95 114.28 109.16 1sac n THR 176 Ca 0.00 -4.88 -0.31 0.00 -2.27 0.00 0.00 64.05 56.58 1sac n THR 176 Cb 0.00 -2.09 -0.03 0.00 -2.10 0.00 0.00 70.33 66.11 1sac n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sac s PRO 177 N -1.84 3.84 0.65 -0.78 0.05 -1.25 -3.87 135.00 131.79 1sac s PRO 177 Ca 0.34 0.79 -0.16 0.00 0.05 0.00 0.00 61.00 62.01 1sac s PRO 177 Cb 0.07 -2.19 -0.01 0.00 0.05 0.00 0.00 34.50 32.43 1sac s PRO 177 CO -0.09 -0.26 1.14 -0.51 0.05 0.00 0.00 177.00 177.33 1sac s LEU 178 N -4.21 3.47 0.23 -3.56 1.43 -1.26 -4.94 118.68 109.83 1sac s LEU 178 Ca 0.56 2.14 -0.31 0.00 -1.03 0.00 0.00 54.13 55.49 1sac s LEU 178 Cb -0.10 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.44 1sac s LEU 178 CO 0.35 -1.68 1.65 -2.84 0.23 0.00 0.00 176.35 174.06 1sac s PRO 179 N -3.83 4.14 0.18 1.29 0.02 -1.26 -4.98 135.00 130.55 1sac s PRO 179 Ca 0.71 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 64.17 1sac s PRO 179 Cb -0.24 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 1sac s PRO 179 CO 0.39 -0.68 0.52 0.00 -0.33 0.00 0.00 177.00 176.89 1sac s ALA 180 N 0.74 3.61 -0.83 -1.55 0.00 -1.26 -5.04 121.76 117.42 1sac s ALA 180 Ca 0.70 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1sac s ALA 180 Cb -0.48 -2.42 0.17 0.00 0.00 0.00 0.00 23.12 20.39 1sac s ALA 180 CO 0.38 0.51 1.03 0.27 0.00 0.00 0.00 175.76 177.95 1sac n ASN 181 N 0.33 2.32 -0.07 0.00 6.94 -1.20 -4.51 115.26 119.06 1sac n ASN 181 Ca -0.03 -1.75 -0.10 0.00 -0.02 0.00 0.00 54.58 52.68 1sac n ASN 181 Cb 0.52 -0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.78 1sac n ASN 181 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1sac n ILE 182 N 0.34 0.74 -3.72 1.53 5.41 -0.29 -4.94 119.36 118.44 1sac n ILE 182 Ca 0.07 -0.27 -0.14 0.00 1.00 0.00 0.00 62.75 63.42 1sac n ILE 182 Cb 0.32 -1.09 -0.14 0.00 -0.71 0.00 0.00 39.64 38.01 1sac n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sac s LEU 183 N -5.94 0.36 -0.10 1.39 1.02 -0.81 -4.71 118.68 109.88 1sac s LEU 183 Ca -0.18 0.40 -0.02 0.00 0.02 0.00 0.00 54.13 54.35 1sac s LEU 183 Cb 0.05 0.48 0.04 0.00 0.02 0.00 0.00 46.19 46.78 1sac s LEU 183 CO 0.29 -0.18 0.03 -0.62 0.02 0.00 0.00 176.35 175.88 1sac s ASP 184 N 1.57 1.86 0.57 2.29 -1.08 -1.26 -0.28 116.67 120.34 1sac s ASP 184 Ca -0.06 -0.27 0.28 0.00 -0.52 0.00 0.00 52.55 51.99 1sac s ASP 184 Cb -0.11 -0.39 1.48 0.00 -1.46 0.00 0.00 42.92 42.44 1sac s ASP 184 CO -0.07 -0.25 1.95 -0.25 0.52 0.00 0.00 175.17 177.08 1sac h TRP 185 N 8.34 0.00 -0.03 -5.34 2.91 -1.79 -0.26 115.95 119.78 1sac h TRP 185 Ca -0.17 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.85 1sac h TRP 185 Cb 1.13 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1sac h TRP 185 CO 0.40 0.00 0.00 1.04 -1.03 0.00 0.00 178.44 178.85 1sac n GLN 186 N -3.98 1.79 -2.77 2.65 6.02 -1.26 -1.43 117.38 118.40 1sac n GLN 186 Ca 0.09 -1.14 -0.10 0.00 -0.01 0.00 0.00 57.00 55.84 1sac n GLN 186 Cb 0.64 -1.47 0.08 0.00 1.02 0.00 0.00 30.24 30.51 1sac n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sac n ALA 187 N 0.39 -0.16 -2.55 -1.58 0.00 -0.17 -3.71 120.51 112.73 1sac n ALA 187 Ca 0.18 -1.65 -0.38 0.00 0.00 0.00 0.00 53.44 51.59 1sac n ALA 187 Cb 0.40 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 1sac n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sac s LEU 188 N -2.43 4.41 -0.40 0.00 2.96 0.14 -4.60 118.68 118.75 1sac s LEU 188 Ca 0.24 0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 1sac s LEU 188 Cb 0.31 -2.64 0.05 0.00 0.50 0.00 0.00 46.19 44.41 1sac s LEU 188 CO -0.06 0.21 0.25 0.20 -1.32 0.00 0.00 176.35 175.64 1sac s ASN 189 N -0.48 5.80 0.09 3.68 0.01 -1.26 -0.28 114.94 122.50 1sac s ASN 189 Ca 0.25 -1.16 0.02 0.00 -0.71 0.00 0.00 52.86 51.26 1sac s ASN 189 Cb -0.16 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1sac s ASN 189 CO 0.13 -0.47 -0.08 -0.72 -1.51 0.00 0.00 177.10 174.45 1sac s TYR 190 N 1.54 0.90 -0.16 2.20 -0.85 -1.26 -1.01 117.35 118.71 1sac s TYR 190 Ca 0.03 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 1sac s TYR 190 Cb -0.21 -0.51 0.01 0.00 0.38 0.00 0.00 41.96 41.63 1sac s TYR 190 CO 0.06 -0.08 -0.17 -1.21 -1.52 0.00 0.00 175.55 172.62 1sac s GLU 191 N -3.02 3.12 -0.16 -3.49 2.02 0.93 -4.95 118.70 113.15 1sac s GLU 191 Ca 0.05 -0.79 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 1sac s GLU 191 Cb -0.01 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 1sac s GLU 191 CO -0.02 -0.07 0.86 0.42 0.02 0.00 0.00 175.26 176.47 1sac s ILE 192 N 1.00 4.86 -0.23 -1.63 1.01 -1.26 -0.24 121.20 124.72 1sac s ILE 192 Ca -0.02 1.70 0.01 0.00 0.00 0.00 0.00 60.65 62.34 1sac s ILE 192 Cb -0.15 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.19 1sac s ILE 192 CO -0.04 0.02 -0.13 -0.13 0.00 0.00 0.00 174.94 174.66 1sac s ARG 193 N 2.12 2.66 0.47 2.79 1.81 0.40 -4.99 118.95 124.21 1sac s ARG 193 Ca 0.40 -1.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 1sac s ARG 193 Cb -0.17 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 1sac s ARG 193 CO 0.13 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 1sac n GLY 194 N 4.56 -0.56 3.37 -3.53 0.00 -1.26 -1.19 105.19 106.57 1sac n GLY 194 Ca -0.17 -1.75 -0.46 0.00 0.00 0.00 0.00 46.02 43.64 1sac n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sac s TYR 195 N 0.00 3.63 -0.01 1.61 5.04 -1.26 -4.93 117.35 121.42 1sac s TYR 195 Ca 0.00 -1.90 0.01 0.00 -2.44 0.00 0.00 57.07 52.74 1sac s TYR 195 Cb 0.00 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.36 1sac s TYR 195 CO 0.00 -1.13 -0.02 0.54 -1.34 0.00 0.00 175.55 173.59 1sac s VAL 196 N 0.76 0.25 0.03 3.14 0.11 -1.26 -4.42 120.40 119.01 1sac s VAL 196 Ca 0.24 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1sac s VAL 196 Cb -0.08 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1sac s VAL 196 CO -0.09 0.10 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.99 1sac s ILE 197 N 0.30 2.89 -0.34 7.04 -1.09 -0.92 -4.95 121.20 124.11 1sac s ILE 197 Ca -0.03 -1.10 -0.14 0.00 -2.23 0.00 0.00 60.65 57.15 1sac s ILE 197 Cb -0.06 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 1sac s ILE 197 CO -0.01 0.37 0.30 -0.63 -1.23 0.00 0.00 174.94 173.74 1sac s ILE 198 N -0.91 5.23 0.21 2.92 1.01 -1.26 -0.05 121.20 128.35 1sac s ILE 198 Ca 0.15 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.79 1sac s ILE 198 Cb -0.11 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1sac s ILE 198 CO 0.05 -0.06 -0.19 -0.54 0.00 0.00 0.00 174.94 174.20 1sac s LYS 199 N 1.86 1.44 0.60 2.79 -0.14 -0.61 -4.96 119.74 120.73 1sac s LYS 199 Ca 0.09 -1.58 -0.19 0.00 -1.36 0.00 0.00 55.97 52.93 1sac s LYS 199 Cb -0.17 -1.49 -0.03 0.00 -1.68 0.00 0.00 37.83 34.46 1sac s LYS 199 CO 0.11 0.29 1.27 -1.25 -0.76 0.00 0.00 175.35 175.01 1sac s PRO 200 N -3.19 2.88 -0.61 -1.68 0.04 -1.26 -0.88 135.00 130.30 1sac s PRO 200 Ca 0.22 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 1sac s PRO 200 Cb -0.05 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1sac s PRO 200 CO 0.10 -1.32 1.13 -1.17 0.04 0.00 0.00 177.00 175.77 1sac s LEU 201 N -4.02 3.62 0.00 -3.56 2.96 -0.47 -4.65 118.68 112.56 1sac s LEU 201 Ca 0.78 -0.20 0.11 0.00 -0.22 0.00 0.00 54.13 54.60 1sac s LEU 201 Cb -0.35 -2.90 0.11 0.00 0.50 0.00 0.00 46.19 43.55 1sac s LEU 201 CO 0.39 -1.49 0.90 1.33 -1.32 0.00 0.00 176.35 176.16 1sac n VAL 202 N 6.44 0.12 -1.05 1.68 0.24 -1.26 -4.66 118.33 119.83 1sac n VAL 202 Ca 0.05 -0.56 0.02 0.00 -2.04 0.00 0.00 64.34 61.81 1sac n VAL 202 Cb 0.48 1.14 0.30 0.00 -1.47 0.00 0.00 33.84 34.29 1sac n VAL 202 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1sac n TRP 203 N 0.61 1.66 -0.88 6.34 4.27 -1.26 -5.27 117.44 122.91 1sac n TRP 203 Ca 0.07 -1.04 0.00 0.00 -3.89 0.00 0.00 57.50 52.64 1sac n TRP 203 Cb 0.30 -0.49 0.00 0.00 -1.36 0.00 0.00 31.31 29.75 1sac n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68