#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 1.42 -0.44 3.57 2.01 0.98 -4.83 115.64 118.35 1sac s THR 2 Ca 0.00 -0.74 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 1sac s THR 2 Cb 0.00 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1sac s THR 2 CO 0.00 0.40 0.52 -0.62 -0.69 0.00 0.00 174.62 174.23 1sac s ASP 3 N -0.21 6.23 -0.24 3.53 2.15 -1.24 -0.93 116.67 125.96 1sac s ASP 3 Ca 0.02 -0.66 0.14 0.00 0.43 0.00 0.00 52.55 52.48 1sac s ASP 3 Cb -0.09 -2.26 0.73 0.00 -0.30 0.00 0.00 42.92 41.01 1sac s ASP 3 CO 0.01 -0.68 1.67 0.18 -0.17 0.00 0.00 175.17 176.18 1sac n LEU 4 N 5.84 5.31 -4.68 -1.34 4.32 -0.44 -4.99 117.00 121.01 1sac n LEU 4 Ca -0.06 -3.03 -0.45 0.00 -0.02 0.00 0.00 56.01 52.45 1sac n LEU 4 Cb 0.47 -0.66 -0.04 0.00 -1.62 0.00 0.00 43.42 41.57 1sac n LEU 4 CO 0.49 0.68 1.39 -1.20 -1.22 0.00 0.00 177.39 177.54 1sac n SER 5 N 0.16 3.56 -0.19 -1.43 7.64 -1.26 -0.82 113.62 121.28 1sac n SER 5 Ca 0.29 1.01 -0.03 0.00 1.01 0.00 0.00 58.87 61.15 1sac n SER 5 Cb 1.15 -1.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.89 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 4.02 0.58 3.49 0.23 0.00 -1.26 -5.02 105.19 107.23 1sac n GLY 6 Ca 0.19 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.55 1.70 0.01 1.61 3.01 -0.00 -0.31 119.74 124.20 1sac s LYS 7 Ca 0.00 -1.86 -0.15 0.00 -1.01 0.00 0.00 55.97 52.95 1sac s LYS 7 Cb 0.00 -1.52 0.02 0.00 -1.01 0.00 0.00 37.83 35.33 1sac s LYS 7 CO 0.00 0.13 0.32 0.54 0.51 0.00 0.00 175.35 176.85 1sac s VAL 8 N -2.74 0.07 -0.25 3.17 0.11 0.18 -4.51 120.40 116.42 1sac s VAL 8 Ca 0.31 -0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 58.66 1sac s VAL 8 Cb 0.02 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1sac s VAL 8 CO 0.14 -0.30 0.40 -0.36 -3.33 0.00 0.00 175.10 171.66 1sac s PHE 9 N -1.83 3.28 -0.18 1.54 0.08 -0.53 -1.66 117.98 118.68 1sac s PHE 9 Ca -0.10 0.50 -0.02 0.00 0.12 0.00 0.00 56.93 57.43 1sac s PHE 9 Cb -0.03 -2.59 -0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1sac s PHE 9 CO 0.01 -0.19 -0.10 0.54 -0.10 0.00 0.00 175.22 175.38 1sac s VAL 10 N 1.94 3.03 -0.71 -0.44 0.11 0.71 -1.58 120.40 123.46 1sac s VAL 10 Ca 0.17 -0.63 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 1sac s VAL 10 Cb -0.15 -2.33 0.12 0.00 -1.53 0.00 0.00 36.38 32.49 1sac s VAL 10 CO 0.09 0.48 0.84 -0.36 -3.33 0.00 0.00 175.10 172.82 1sac s PHE 11 N 1.03 3.10 -0.52 1.54 0.40 0.11 -2.17 117.98 121.46 1sac s PHE 11 Ca -0.01 -1.17 0.24 0.00 -0.60 0.00 0.00 56.93 55.40 1sac s PHE 11 Cb -0.15 -4.08 0.46 0.00 0.51 0.00 0.00 43.02 39.77 1sac s PHE 11 CO -0.02 -1.34 1.63 -1.35 0.70 0.00 0.00 175.22 174.85 1sac h PRO 12 N 8.94 0.00 -4.78 0.24 0.11 -1.82 -0.48 132.00 134.23 1sac h PRO 12 Ca -0.13 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.71 1sac h PRO 12 Cb 1.06 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.01 1sac h PRO 12 CO 1.06 0.00 -0.71 -0.98 -0.21 0.00 0.00 178.00 177.16 1sac s ARG 13 N -3.18 0.85 0.25 1.05 1.70 -1.26 -4.92 118.95 113.43 1sac s ARG 13 Ca 0.08 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 53.78 1sac s ARG 13 Cb 0.07 -0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.02 1sac s ARG 13 CO 0.65 0.02 0.93 -2.00 -1.08 0.00 0.00 175.30 173.83 1sac s GLU 14 N -3.41 4.81 0.03 3.89 2.12 -1.26 -4.76 118.70 120.12 1sac s GLU 14 Ca 0.09 1.45 -0.16 0.00 0.36 0.00 0.00 54.97 56.72 1sac s GLU 14 Cb 0.02 -3.22 0.05 0.00 0.26 0.00 0.00 34.13 31.24 1sac s GLU 14 CO -0.02 0.49 0.72 -1.13 -0.54 0.00 0.00 175.26 174.78 1sac n SER 15 N 1.38 -0.82 -0.36 -1.70 3.41 -1.26 -5.01 113.62 109.26 1sac n SER 15 Ca -0.02 -1.28 0.06 0.00 -0.26 0.00 0.00 58.87 57.38 1sac n SER 15 Cb 0.47 1.30 0.10 0.00 -0.26 0.00 0.00 64.21 65.82 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 -0.51 1.20 0.00 -3.33 3.14 -1.26 -4.50 118.33 113.07 1sac n VAL 16 Ca 0.01 -1.57 0.00 0.00 -2.96 0.00 0.00 64.34 59.82 1sac n VAL 16 Cb 0.35 0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 1sac n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1sac n THR 17 N -0.82 0.00 -2.16 1.55 -1.04 -1.26 -4.81 114.28 105.74 1sac n THR 17 Ca 0.11 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 1sac n THR 17 Cb 0.70 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 68.12 1sac n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sac s ASP 18 N -4.75 6.80 0.20 8.00 1.01 -1.26 -4.62 116.67 122.05 1sac s ASP 18 Ca 0.00 2.20 -0.23 0.00 0.71 0.00 0.00 52.55 55.23 1sac s ASP 18 Cb 0.00 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1sac s ASP 18 CO 0.00 -0.75 0.75 -1.38 0.21 0.00 0.00 175.17 174.00 1sac s HIS 19 N 2.37 -0.28 -0.11 4.23 -3.43 0.57 -4.43 115.29 114.22 1sac s HIS 19 Ca 0.66 -0.07 0.02 0.00 -0.80 0.00 0.00 55.06 54.87 1sac s HIS 19 Cb -0.33 0.65 0.01 0.00 -1.43 0.00 0.00 32.58 31.47 1sac s HIS 19 CO 0.28 -1.00 -0.16 0.08 -2.00 0.00 0.00 174.74 171.93 1sac s VAL 20 N -3.68 1.57 -0.27 -5.38 1.01 -0.82 0.35 120.40 113.18 1sac s VAL 20 Ca 0.08 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1sac s VAL 20 Cb -0.03 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1sac s VAL 20 CO -0.00 0.45 0.59 0.20 0.00 0.00 0.00 175.10 176.34 1sac s ASN 21 N 0.88 6.52 -0.12 3.32 0.01 0.83 -1.30 114.94 125.07 1sac s ASN 21 Ca -0.08 0.60 -0.19 0.00 -0.71 0.00 0.00 52.86 52.47 1sac s ASN 21 Cb -0.15 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1sac s ASN 21 CO -0.00 -0.36 0.53 -0.76 -1.51 0.00 0.00 177.10 174.99 1sac s LEU 22 N 2.46 4.26 -0.23 0.60 1.02 -0.28 -0.86 118.68 125.66 1sac s LEU 22 Ca 0.24 0.86 -0.06 0.00 0.02 0.00 0.00 54.13 55.20 1sac s LEU 22 Cb -0.15 -2.77 -0.02 0.00 0.02 0.00 0.00 46.19 43.26 1sac s LEU 22 CO 0.09 -0.06 0.01 -0.63 0.02 0.00 0.00 176.35 175.79 1sac s ILE 23 N 0.85 3.89 -0.06 -0.59 1.01 0.30 -4.13 121.20 122.48 1sac s ILE 23 Ca 0.28 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1sac s ILE 23 Cb -0.16 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.54 1sac s ILE 23 CO 0.11 0.39 -0.07 0.28 0.00 0.00 0.00 174.94 175.66 1sac s THR 24 N 1.40 0.75 -0.74 2.92 -1.32 -1.26 -4.55 115.64 112.85 1sac s THR 24 Ca 0.05 -0.24 -0.05 0.00 -1.21 0.00 0.00 61.69 60.24 1sac s THR 24 Cb -0.15 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 70.14 1sac s THR 24 CO 0.01 0.28 2.75 -0.81 -2.21 0.00 0.00 174.62 174.64 1sac n PRO 25 N 4.07 3.13 -1.60 7.08 -0.04 -1.26 -4.84 135.00 141.55 1sac n PRO 25 Ca -0.23 -2.55 -0.39 0.00 -0.04 0.00 0.00 63.50 60.29 1sac n PRO 25 Cb 0.51 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1sac n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sac s LEU 26 N -1.82 3.42 -0.26 1.53 2.96 -1.26 -4.89 118.68 118.36 1sac s LEU 26 Ca 0.59 1.45 -0.04 0.00 -0.22 0.00 0.00 54.13 55.90 1sac s LEU 26 Cb 0.30 -2.99 -0.16 0.00 0.50 0.00 0.00 46.19 43.84 1sac s LEU 26 CO -0.15 -2.44 -0.22 -0.62 -1.32 0.00 0.00 176.35 171.60 1sac n GLU 27 N 8.89 0.64 -2.06 1.98 1.02 -1.26 -2.44 120.64 127.41 1sac n GLU 27 Ca 0.33 0.20 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 1sac n GLU 27 Cb 0.50 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1sac n GLU 27 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1sac s LYS 28 N -2.51 3.26 0.64 3.49 1.02 -1.26 -4.70 119.74 119.67 1sac s LYS 28 Ca -0.35 1.32 -0.13 0.00 0.02 0.00 0.00 55.97 56.82 1sac s LYS 28 Cb 0.11 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1sac s LYS 28 CO 0.58 -0.87 1.05 -2.14 -0.92 0.00 0.00 175.35 173.05 1sac s PRO 29 N -3.88 3.17 -0.09 -1.68 0.02 -1.26 -4.32 135.00 126.95 1sac s PRO 29 Ca 0.66 1.04 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 1sac s PRO 29 Cb -0.18 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.27 1sac s PRO 29 CO 0.35 -0.92 0.34 -0.51 -0.33 0.00 0.00 177.00 175.93 1sac s LEU 30 N -5.04 4.36 -0.09 -5.54 1.02 0.33 -4.91 118.68 108.81 1sac s LEU 30 Ca 0.60 0.72 0.06 0.00 0.02 0.00 0.00 54.13 55.54 1sac s LEU 30 Cb -0.14 -2.46 -0.10 0.00 0.02 0.00 0.00 46.19 43.51 1sac s LEU 30 CO 0.47 0.21 0.01 0.00 0.02 0.00 0.00 176.35 177.06 1sac n GLN 31 N 2.69 2.32 -4.20 1.70 6.02 -1.26 -1.67 117.38 122.98 1sac n GLN 31 Ca -0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.68 1sac n GLN 31 Cb 0.52 -1.21 -0.12 0.00 1.02 0.00 0.00 30.24 30.45 1sac n GLN 31 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1sac s ASN 32 N -4.16 1.59 -0.11 1.08 0.01 -1.26 -0.20 114.94 111.89 1sac s ASN 32 Ca -0.05 -0.57 -0.33 0.00 -0.71 0.00 0.00 52.86 51.20 1sac s ASN 32 Cb 0.03 -0.05 0.12 0.00 0.41 0.00 0.00 41.25 41.76 1sac s ASN 32 CO 0.33 -0.06 1.10 0.72 -1.51 0.00 0.00 177.10 177.68 1sac s PHE 33 N -1.17 -0.20 -0.07 2.20 -0.12 -0.87 -4.09 117.98 113.66 1sac s PHE 33 Ca -0.02 0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 56.94 1sac s PHE 33 Cb -0.09 0.53 0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1sac s PHE 33 CO 0.02 -0.34 0.16 0.99 -0.05 0.00 0.00 175.22 176.00 1sac s THR 34 N -2.67 -0.08 -0.16 -4.49 2.01 -0.96 -0.91 115.64 108.39 1sac s THR 34 Ca 0.08 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1sac s THR 34 Cb -0.01 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1sac s THR 34 CO -0.06 0.08 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.70 1sac s LEU 35 N 1.34 1.42 -0.02 4.42 2.96 -0.04 -0.76 118.68 128.00 1sac s LEU 35 Ca -0.07 -0.60 0.08 0.00 -0.22 0.00 0.00 54.13 53.32 1sac s LEU 35 Cb -0.12 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1sac s LEU 35 CO -0.06 -0.20 -0.26 0.00 -1.32 0.00 0.00 176.35 174.51 1sac s PHE 37 N -0.60 -0.34 0.01 0.00 -0.71 0.13 -0.93 117.98 115.53 1sac s PHE 37 Ca 0.10 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.02 1sac s PHE 37 Cb -0.10 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1sac s PHE 37 CO -0.01 -0.98 0.07 1.03 -1.34 0.00 0.00 175.22 173.99 1sac s ARG 38 N -3.71 3.00 -0.00 1.99 0.52 -0.48 -0.52 118.95 119.75 1sac s ARG 38 Ca 0.07 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1sac s ARG 38 Cb -0.03 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 1sac s ARG 38 CO -0.03 0.63 0.03 0.00 0.02 0.00 0.00 175.30 175.95 1sac s ALA 39 N -1.20 -0.05 -0.14 2.13 0.00 -0.03 -1.19 121.76 121.27 1sac s ALA 39 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 1sac s ALA 39 Cb -0.12 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1sac s ALA 39 CO 0.14 -0.10 0.05 -0.47 0.00 0.00 0.00 175.76 175.38 1sac s TYR 40 N -0.74 0.54 -0.07 0.00 5.04 0.55 -1.54 117.35 121.14 1sac s TYR 40 Ca -0.08 -0.38 -0.13 0.00 -2.44 0.00 0.00 57.07 54.03 1sac s TYR 40 Cb -0.05 -0.79 0.03 0.00 0.35 0.00 0.00 41.96 41.49 1sac s TYR 40 CO -0.00 -0.46 0.32 0.45 -1.34 0.00 0.00 175.55 174.52 1sac s SER 41 N 2.02 -0.27 -0.20 4.32 0.15 -1.26 -0.68 113.70 117.78 1sac s SER 41 Ca 0.02 0.38 0.15 0.00 0.70 0.00 0.00 55.95 57.20 1sac s SER 41 Cb -0.15 0.50 0.47 0.00 -1.71 0.00 0.00 66.02 65.13 1sac s SER 41 CO -0.07 -0.28 1.37 -0.90 1.20 0.00 0.00 173.24 174.56 1sac n ASP 42 N 2.08 3.14 -4.69 5.45 5.68 -1.26 -4.63 116.55 122.31 1sac n ASP 42 Ca -0.17 -3.26 -0.44 0.00 -0.50 0.00 0.00 54.79 50.42 1sac n ASP 42 Cb 0.57 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1sac n ASP 42 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sac n LEU 43 N -0.88 3.47 0.01 -2.12 7.99 -1.26 -4.93 117.00 119.28 1sac n LEU 43 Ca 0.23 1.14 0.11 0.00 -0.01 0.00 0.00 56.01 57.48 1sac n LEU 43 Cb 0.87 -1.48 -0.08 0.00 -0.11 0.00 0.00 43.42 42.63 1sac n LEU 43 CO 0.13 -0.30 -0.21 -1.54 -1.51 0.00 0.00 177.39 173.95 1sac n SER 44 N 2.20 0.58 -4.87 -1.43 3.41 -1.26 -4.97 113.62 107.27 1sac n SER 44 Ca 0.11 -0.43 -0.30 0.00 -0.26 0.00 0.00 58.87 58.00 1sac n SER 44 Cb 0.33 1.18 0.07 0.00 -0.26 0.00 0.00 64.21 65.53 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 -3.21 2.37 0.67 4.33 1.70 -1.26 -4.59 118.95 118.95 1sac s ARG 45 Ca 0.02 0.36 -0.17 0.00 -0.47 0.00 0.00 55.73 55.47 1sac s ARG 45 Cb 0.15 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1sac s ARG 45 CO 0.85 -1.36 1.27 0.00 -1.08 0.00 0.00 175.30 174.98 1sac s ALA 46 N -3.40 2.31 0.03 7.88 0.00 -1.25 -4.82 121.76 122.52 1sac s ALA 46 Ca 0.60 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 1sac s ALA 46 Cb -0.12 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.54 1sac s ALA 46 CO 0.51 -1.65 0.62 1.52 0.00 0.00 0.00 175.76 176.77 1sac s TYR 47 N -1.55 -0.58 0.10 0.00 1.13 -0.70 -4.49 117.35 111.26 1sac s TYR 47 Ca 0.80 0.76 -0.24 0.00 -1.41 0.00 0.00 57.07 56.99 1sac s TYR 47 Cb -0.35 0.44 -0.07 0.00 -1.10 0.00 0.00 41.96 40.88 1sac s TYR 47 CO 0.41 -0.69 0.73 0.45 -2.51 0.00 0.00 175.55 173.93 1sac s SER 48 N -1.81 7.26 -0.27 -0.18 0.15 -0.78 -0.59 113.70 117.48 1sac s SER 48 Ca -0.06 1.49 -0.07 0.00 0.70 0.00 0.00 55.95 58.00 1sac s SER 48 Cb -0.00 -2.46 -0.15 0.00 -1.71 0.00 0.00 66.02 61.70 1sac s SER 48 CO 0.01 0.16 -0.27 0.18 1.20 0.00 0.00 173.24 174.52 1sac n LEU 49 N 2.04 2.39 -3.67 3.45 7.99 -0.20 -4.42 117.00 124.58 1sac n LEU 49 Ca -0.06 0.14 -0.13 0.00 -0.01 0.00 0.00 56.01 55.96 1sac n LEU 49 Cb 0.50 -0.87 -0.13 0.00 -0.11 0.00 0.00 43.42 42.81 1sac n LEU 49 CO 0.45 0.73 -0.11 0.12 -1.51 0.00 0.00 177.39 177.07 1sac s PHE 50 N -2.51 -0.47 -0.20 -1.77 5.36 -1.16 -4.66 117.98 112.58 1sac s PHE 50 Ca -0.37 1.03 -0.02 0.00 -0.96 0.00 0.00 56.93 56.62 1sac s PHE 50 Cb 0.12 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 1sac s PHE 50 CO 0.55 -0.36 -0.11 0.45 -1.46 0.00 0.00 175.22 174.29 1sac s SER 51 N 2.29 3.81 -0.25 6.13 0.15 -1.04 -1.49 113.70 123.29 1sac s SER 51 Ca -0.01 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 1sac s SER 51 Cb -0.12 -1.63 0.08 0.00 -1.71 0.00 0.00 66.02 62.64 1sac s SER 51 CO -0.09 -0.00 0.03 -0.47 1.20 0.00 0.00 173.24 173.90 1sac s TYR 52 N 1.34 1.91 0.17 3.44 6.14 -0.36 -0.62 117.35 129.37 1sac s TYR 52 Ca 0.04 -1.60 0.11 0.00 0.64 0.00 0.00 57.07 56.27 1sac s TYR 52 Cb -0.14 -1.57 -0.04 0.00 0.42 0.00 0.00 41.96 40.63 1sac s TYR 52 CO -0.07 -0.77 -0.25 -0.80 0.64 0.00 0.00 175.55 174.30 1sac s ASN 53 N 1.56 3.36 0.34 4.32 -0.87 -0.99 -1.32 114.94 121.34 1sac s ASN 53 Ca 0.02 -0.83 0.04 0.00 -1.57 0.00 0.00 52.86 50.52 1sac s ASN 53 Cb -0.18 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.25 40.75 1sac s ASN 53 CO -0.13 0.13 0.06 0.42 -2.57 0.00 0.00 177.10 175.01 1sac s THR 54 N -1.49 1.23 -0.27 1.60 -4.23 -1.08 -0.37 115.64 111.02 1sac s THR 54 Ca 0.18 -2.00 -0.38 0.00 -1.18 0.00 0.00 61.69 58.31 1sac s THR 54 Cb -0.08 -2.77 -0.14 0.00 1.34 0.00 0.00 72.50 70.84 1sac s THR 54 CO 0.08 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.07 1sac n GLN 55 N -0.75 1.27 -0.51 3.99 6.02 -1.26 -1.36 117.38 124.78 1sac n GLN 55 Ca -0.03 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1sac n GLN 55 Cb 0.67 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.65 1sac n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sac n GLY 56 N 4.97 1.14 3.04 1.08 0.00 -1.26 -4.97 105.19 109.19 1sac n GLY 56 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.22 2.32 0.41 1.61 0.52 -0.47 -5.10 118.95 118.01 1sac s ARG 57 Ca 0.00 -0.96 -0.23 0.00 -0.52 0.00 0.00 55.73 54.02 1sac s ARG 57 Cb 0.00 -2.56 -0.09 0.00 0.52 0.00 0.00 34.95 32.82 1sac s ARG 57 CO 0.00 -0.41 1.03 0.34 0.02 0.00 0.00 175.30 176.28 1sac s ASP 58 N 1.30 6.77 -1.47 0.23 2.15 -1.26 -2.63 116.67 121.76 1sac s ASP 58 Ca -0.01 1.97 -0.06 0.00 0.43 0.00 0.00 52.55 54.87 1sac s ASP 58 Cb -0.16 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1sac s ASP 58 CO -0.09 -0.48 0.65 0.59 -0.17 0.00 0.00 175.17 175.68 1sac n ASN 59 N -0.18 -1.92 -0.19 -0.34 3.02 -1.26 -4.27 115.26 110.11 1sac n ASN 59 Ca 0.05 -0.93 -0.08 0.00 -0.03 0.00 0.00 54.58 53.59 1sac n ASN 59 Cb 0.50 -3.33 0.01 0.00 -0.61 0.00 0.00 39.78 36.35 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 -1.82 0.83 -2.45 3.52 4.57 -1.69 -0.59 114.58 116.95 1sac h GLU 60 Ca -0.61 -0.19 -0.29 0.00 -1.18 0.00 0.00 59.36 57.09 1sac h GLU 60 Cb 1.37 -0.12 -0.35 0.00 -0.16 0.00 0.00 28.75 29.50 1sac h GLU 60 CO 0.65 0.77 -0.60 -1.17 -1.18 0.00 0.00 179.01 177.49 1sac s LEU 61 N -9.64 -0.19 -0.07 1.64 2.96 -0.43 -0.09 118.68 112.85 1sac s LEU 61 Ca -0.13 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1sac s LEU 61 Cb 0.12 0.50 0.03 0.00 0.50 0.00 0.00 46.19 47.34 1sac s LEU 61 CO 0.80 -0.32 -0.00 -0.22 -1.32 0.00 0.00 176.35 175.29 1sac s LEU 62 N 2.36 0.63 -0.22 -0.68 2.96 -0.75 -1.22 118.68 121.76 1sac s LEU 62 Ca 0.07 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.78 1sac s LEU 62 Cb -0.16 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 1sac s LEU 62 CO -0.12 -0.19 0.20 -0.69 -1.32 0.00 0.00 176.35 174.23 1sac s VAL 63 N 1.92 5.34 -0.03 1.68 1.01 -0.56 -1.04 120.40 128.72 1sac s VAL 63 Ca 0.04 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1sac s VAL 63 Cb -0.12 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1sac s VAL 63 CO -0.05 0.35 -0.04 -0.47 0.00 0.00 0.00 175.10 174.88 1sac s TYR 64 N 0.95 0.64 -0.28 5.22 5.04 -0.14 -1.04 117.35 127.74 1sac s TYR 64 Ca 0.10 -0.15 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 1sac s TYR 64 Cb -0.13 -0.56 -0.04 0.00 0.35 0.00 0.00 41.96 41.58 1sac s TYR 64 CO 0.04 -0.14 0.26 0.21 -1.34 0.00 0.00 175.55 174.58 1sac s LYS 65 N 0.69 3.95 -0.02 4.97 2.20 0.24 -0.70 119.74 131.06 1sac s LYS 65 Ca -0.09 -0.21 -0.22 0.00 -0.36 0.00 0.00 55.97 55.10 1sac s LYS 65 Cb -0.12 -3.67 -0.23 0.00 -1.51 0.00 0.00 37.83 32.30 1sac s LYS 65 CO -0.00 -0.23 1.07 0.93 -0.36 0.00 0.00 175.35 176.75 1sac h GLU 66 N 8.31 0.30 -1.99 4.03 4.39 -1.63 -1.85 114.58 126.12 1sac h GLU 66 Ca -0.34 -0.31 0.29 0.00 0.34 0.00 0.00 59.36 59.34 1sac h GLU 66 Cb 1.18 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 1sac h GLU 66 CO 0.59 1.01 0.78 -0.98 -1.16 0.00 0.00 179.01 179.25 1sac s ARG 67 N -3.19 0.63 0.21 2.33 1.70 -1.24 -3.81 118.95 115.58 1sac s ARG 67 Ca -0.14 -0.39 -0.32 0.00 -0.47 0.00 0.00 55.73 54.40 1sac s ARG 67 Cb 0.02 0.19 -0.13 0.00 -0.57 0.00 0.00 34.95 34.46 1sac s ARG 67 CO 0.78 -0.29 1.60 0.28 -1.08 0.00 0.00 175.30 176.58 1sac n VAL 68 N -0.69 0.33 -0.58 4.99 0.31 -1.26 -1.41 118.33 120.01 1sac n VAL 68 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1sac n VAL 68 Cb 0.60 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1sac n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sac n GLY 69 N 3.16 1.26 2.93 2.92 0.00 -1.26 -5.01 105.19 109.19 1sac n GLY 69 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1sac n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sac s GLU 70 N -0.22 1.67 -0.08 1.61 2.02 -0.50 -0.92 118.70 122.27 1sac s GLU 70 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1sac s GLU 70 Cb 0.00 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 1sac s GLU 70 CO 0.00 -0.29 -0.16 0.71 0.02 0.00 0.00 175.26 175.53 1sac s TYR 71 N 1.65 2.68 -0.01 1.61 1.51 -0.70 -1.76 117.35 122.33 1sac s TYR 71 Ca 0.04 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1sac s TYR 71 Cb -0.13 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1sac s TYR 71 CO -0.09 -0.05 -0.15 -1.12 -1.11 0.00 0.00 175.55 173.04 1sac s SER 72 N -0.22 4.01 -0.14 2.29 0.01 0.12 -0.96 113.70 118.81 1sac s SER 72 Ca 0.00 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1sac s SER 72 Cb -0.13 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.33 1sac s SER 72 CO 0.03 0.30 -0.22 -0.22 0.41 0.00 0.00 173.24 173.54 1sac s LEU 73 N -1.11 2.12 -0.24 2.44 2.96 0.00 -0.97 118.68 123.89 1sac s LEU 73 Ca 0.14 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 1sac s LEU 73 Cb -0.11 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 1sac s LEU 73 CO 0.03 0.08 0.15 -0.31 -1.32 0.00 0.00 176.35 174.99 1sac s TYR 74 N 0.83 3.31 -0.17 5.38 1.51 -0.21 -0.47 117.35 127.53 1sac s TYR 74 Ca -0.07 0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1sac s TYR 74 Cb -0.15 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1sac s TYR 74 CO -0.02 0.06 -0.19 0.42 -1.11 0.00 0.00 175.55 174.71 1sac s ILE 75 N 1.04 2.17 -1.51 2.71 -1.09 -0.72 -1.81 121.20 121.99 1sac s ILE 75 Ca 0.07 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1sac s ILE 75 Cb -0.13 -1.91 0.01 0.00 -1.58 0.00 0.00 42.46 38.85 1sac s ILE 75 CO 0.04 0.53 0.21 0.61 -1.23 0.00 0.00 174.94 175.11 1sac n GLY 76 N 4.50 -0.18 3.25 6.18 0.00 0.87 -1.77 105.19 118.04 1sac n GLY 76 Ca -0.21 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.49 0.00 -2.86 1.61 1.74 -0.23 -4.96 116.66 107.47 1sac n ARG 77 Ca -0.29 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.49 1sac n ARG 77 Cb 0.68 -2.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 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 -3.19 3.48 0.01 -1.55 3.76 -0.73 -5.07 115.29 112.00 1sac s HIS 78 Ca 0.00 0.99 0.03 0.00 -0.15 0.00 0.00 55.06 55.93 1sac s HIS 78 Cb 0.00 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 1sac s HIS 78 CO 0.00 -0.11 -0.08 0.21 -0.85 0.00 0.00 174.74 173.91 1sac s LYS 79 N -3.94 0.63 0.11 1.40 2.20 -1.26 -1.75 119.74 117.13 1sac s LYS 79 Ca 0.50 -0.44 0.07 0.00 -0.36 0.00 0.00 55.97 55.74 1sac s LYS 79 Cb -0.10 -0.58 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 1sac s LYS 79 CO 0.33 0.15 -0.16 0.14 -0.36 0.00 0.00 175.35 175.44 1sac s VAL 80 N -0.51 1.43 -0.00 4.02 -7.23 0.38 -5.00 120.40 113.49 1sac s VAL 80 Ca 0.00 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1sac s VAL 80 Cb -0.05 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 1sac s VAL 80 CO 0.00 -0.25 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.58 1sac s THR 81 N -1.61 0.53 0.06 5.32 2.01 -1.26 -0.82 115.64 119.87 1sac s THR 81 Ca 0.06 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1sac s THR 81 Cb -0.08 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1sac s THR 81 CO 0.04 0.13 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.55 1sac s SER 82 N -0.21 1.21 0.08 3.53 0.01 -0.13 -4.99 113.70 113.19 1sac s SER 82 Ca 0.02 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 56.73 1sac s SER 82 Cb -0.03 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1sac s SER 82 CO -0.00 -0.17 -0.07 -0.54 0.41 0.00 0.00 173.24 172.87 1sac s LYS 83 N -1.79 2.34 0.02 12.44 1.02 -1.26 -1.73 119.74 130.78 1sac s LYS 83 Ca -0.05 -0.91 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 1sac s LYS 83 Cb -0.09 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1sac s LYS 83 CO 0.01 0.54 0.03 0.54 -0.92 0.00 0.00 175.35 175.54 1sac s VAL 84 N -1.19 0.11 0.16 3.17 0.11 -0.10 -4.76 120.40 117.90 1sac s VAL 84 Ca 0.22 -0.88 -0.31 0.00 -2.93 0.00 0.00 61.98 58.08 1sac s VAL 84 Cb -0.11 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.27 1sac s VAL 84 CO 0.14 -0.49 1.39 -0.63 -3.33 0.00 0.00 175.10 172.18 1sac s ILE 85 N -1.57 3.12 -0.16 7.04 1.01 -1.26 -4.39 121.20 124.99 1sac s ILE 85 Ca -0.14 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 1sac s ILE 85 Cb -0.08 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.88 1sac s ILE 85 CO -0.01 0.09 0.43 -0.70 0.00 0.00 0.00 174.94 174.76 1sac s GLU 86 N 0.54 0.50 0.35 2.79 2.12 -1.26 -5.03 118.70 118.71 1sac s GLU 86 Ca 0.62 0.60 -0.12 0.00 0.36 0.00 0.00 54.97 56.43 1sac s GLU 86 Cb -0.38 0.24 -0.08 0.00 0.26 0.00 0.00 34.13 34.17 1sac s GLU 86 CO 0.34 -0.06 0.73 0.15 -0.54 0.00 0.00 175.26 175.88 1sac s LYS 87 N 0.25 3.87 -0.04 4.30 1.02 -1.26 -4.85 119.74 123.03 1sac s LYS 87 Ca -0.00 0.53 -0.00 0.00 0.02 0.00 0.00 55.97 56.51 1sac s LYS 87 Cb -0.03 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1sac s LYS 87 CO 0.00 0.08 0.00 0.12 -0.92 0.00 0.00 175.35 174.64 1sac s PHE 88 N -2.15 0.35 0.28 3.18 5.36 -1.26 -3.96 117.98 119.79 1sac s PHE 88 Ca 0.52 -0.00 -0.05 0.00 -0.96 0.00 0.00 56.93 56.43 1sac s PHE 88 Cb -0.10 -0.48 -0.05 0.00 -0.34 0.00 0.00 43.02 42.04 1sac s PHE 88 CO 0.24 -0.16 0.55 -1.25 -1.46 0.00 0.00 175.22 173.14 1sac s PRO 89 N 1.26 3.64 -0.17 10.12 0.04 -1.26 -5.20 135.00 143.43 1sac s PRO 89 Ca -0.06 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1sac s PRO 89 Cb -0.13 -2.65 0.12 0.00 0.04 0.00 0.00 34.50 31.87 1sac s PRO 89 CO -0.02 0.22 0.95 0.00 0.04 0.00 0.00 177.00 178.19 1sac s ALA 90 N -2.07 -1.91 0.92 8.56 0.00 -1.25 -5.11 121.76 120.90 1sac s ALA 90 Ca 0.44 1.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.92 1sac s ALA 90 Cb -0.11 -0.78 0.12 0.00 0.00 0.00 0.00 23.12 22.35 1sac s ALA 90 CO 0.29 -0.30 0.95 -2.30 0.00 0.00 0.00 175.76 174.40 1sac n PRO 91 N 1.15 -0.40 -3.82 0.00 -0.02 -1.26 -4.74 135.00 125.91 1sac n PRO 91 Ca -0.12 -0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 1sac n PRO 91 Cb 0.57 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 1sac n PRO 91 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sac s VAL 92 N -2.55 0.05 -0.20 -1.45 0.11 -0.59 -5.01 120.40 110.75 1sac s VAL 92 Ca 0.65 -0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 59.30 1sac s VAL 92 Cb -0.23 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1sac s VAL 92 CO 0.60 -0.21 -0.10 -2.28 -3.33 0.00 0.00 175.10 169.78 1sac s HIS 93 N -0.78 2.89 -0.10 1.54 2.46 -1.26 -0.85 115.29 119.19 1sac s HIS 93 Ca -0.09 -1.20 0.03 0.00 0.47 0.00 0.00 55.06 54.27 1sac s HIS 93 Cb -0.05 -2.03 -0.01 0.00 -0.13 0.00 0.00 32.58 30.36 1sac s HIS 93 CO 0.02 -0.64 -0.18 0.42 -2.47 0.00 0.00 174.74 171.88 1sac s ILE 94 N 1.40 2.63 0.10 0.89 1.01 0.32 -0.61 121.20 126.94 1sac s ILE 94 Ca 0.05 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.96 1sac s ILE 94 Cb -0.14 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1sac s ILE 94 CO -0.07 0.55 -0.22 0.00 0.00 0.00 0.00 174.94 175.20 1sac s VAL 96 N -1.07 -0.01 0.12 0.00 0.11 -0.52 -0.43 120.40 118.59 1sac s VAL 96 Ca 0.08 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 1sac s VAL 96 Cb -0.10 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1sac s VAL 96 CO 0.04 0.01 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.76 1sac s SER 97 N 0.24 1.74 -0.04 3.54 1.04 -0.53 -0.86 113.70 118.82 1sac s SER 97 Ca -0.01 -0.85 -0.07 0.00 0.48 0.00 0.00 55.95 55.50 1sac s SER 97 Cb -0.03 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.08 1sac s SER 97 CO -0.01 -0.23 0.17 0.86 0.98 0.00 0.00 173.24 175.01 1sac s TRP 98 N -2.49 -0.10 -0.15 5.02 -0.00 -0.09 -1.72 118.94 119.41 1sac s TRP 98 Ca 0.09 0.24 -0.00 0.00 -0.00 0.00 0.00 56.10 56.42 1sac s TRP 98 Cb -0.03 0.02 0.03 0.00 -0.00 0.00 0.00 33.47 33.50 1sac s TRP 98 CO 0.01 -0.18 -0.07 -2.00 -0.00 0.00 0.00 176.95 174.71 1sac s GLU 99 N -0.52 1.61 0.12 5.86 2.12 -1.03 -2.05 118.70 124.82 1sac s GLU 99 Ca -0.06 -0.47 -0.22 0.00 0.36 0.00 0.00 54.97 54.58 1sac s GLU 99 Cb -0.04 -1.92 -0.06 0.00 0.26 0.00 0.00 34.13 32.37 1sac s GLU 99 CO 0.01 -0.36 1.69 1.03 -0.54 0.00 0.00 175.26 177.09 1sac h SER 100 N 8.12 -0.31 -0.68 -1.70 0.87 -0.86 0.45 113.55 119.44 1sac h SER 100 Ca -0.28 0.06 0.13 0.00 -1.23 0.00 0.00 61.79 60.47 1sac h SER 100 Cb 1.12 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 1sac h SER 100 CO 0.42 -0.14 0.46 0.77 -0.53 0.00 0.00 176.83 177.81 1sac h SER 101 N -0.14 0.38 0.00 6.23 4.64 -1.90 -1.95 113.55 120.80 1sac h SER 101 Ca 0.07 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1sac h SER 101 Cb 0.23 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1sac h SER 101 CO -0.16 0.21 -1.43 -1.54 -0.87 0.00 0.00 176.83 173.04 1sac n SER 102 N -4.47 3.11 0.00 4.97 3.41 -1.14 -4.70 113.62 114.80 1sac n SER 102 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1sac n SER 102 Cb 0.46 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 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 2.20 0.76 3.68 5.00 0.00 0.16 -4.78 105.19 112.20 1sac n GLY 103 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.96 4.22 -0.22 -0.61 -1.09 -1.17 -0.61 121.20 118.77 1sac s ILE 104 Ca 0.00 1.53 -0.09 0.00 -2.23 0.00 0.00 60.65 59.86 1sac s ILE 104 Cb 0.00 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1sac s ILE 104 CO 0.00 -0.06 0.11 0.00 -1.23 0.00 0.00 174.94 173.76 1sac s ALA 105 N 2.78 3.49 -0.26 9.38 0.00 0.13 -2.47 121.76 134.82 1sac s ALA 105 Ca 0.56 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1sac s ALA 105 Cb -0.24 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1sac s ALA 105 CO 0.19 -0.06 0.02 -1.21 0.00 0.00 0.00 175.76 174.71 1sac s GLU 106 N 0.80 3.16 -0.11 0.00 2.02 -0.70 -2.45 118.70 121.43 1sac s GLU 106 Ca 0.06 -0.79 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 1sac s GLU 106 Cb -0.13 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1sac s GLU 106 CO 0.02 -0.35 0.29 -0.06 0.02 0.00 0.00 175.26 175.18 1sac s PHE 107 N 1.47 3.56 -0.21 1.61 0.08 -1.26 -1.46 117.98 121.77 1sac s PHE 107 Ca 0.03 0.69 0.01 0.00 0.12 0.00 0.00 56.93 57.78 1sac s PHE 107 Cb -0.16 -2.24 0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1sac s PHE 107 CO -0.00 0.45 -0.08 -1.58 -0.10 0.00 0.00 175.22 173.91 1sac s TRP 108 N -0.27 2.38 -0.27 0.36 0.52 0.42 -0.50 118.94 121.59 1sac s TRP 108 Ca 0.18 -1.62 -0.06 0.00 0.02 0.00 0.00 56.10 54.62 1sac s TRP 108 Cb -0.14 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1sac s TRP 108 CO 0.06 -0.75 0.05 0.42 0.02 0.00 0.00 176.95 176.76 1sac s ILE 109 N 1.40 3.83 -1.37 2.03 -1.09 0.31 -1.20 121.20 125.12 1sac s ILE 109 Ca -0.03 -0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 57.70 1sac s ILE 109 Cb -0.17 -2.92 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 1sac s ILE 109 CO -0.07 0.17 1.03 0.59 -1.23 0.00 0.00 174.94 175.43 1sac n ASN 110 N 4.85 -4.39 -0.02 3.58 3.02 0.22 -1.13 115.26 121.39 1sac n ASN 110 Ca -0.15 -0.66 -0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1sac n ASN 110 Cb 0.49 -4.62 -0.00 0.00 -0.61 0.00 0.00 39.78 35.03 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 -1.70 0.27 3.47 7.41 0.00 -1.26 -5.00 105.19 108.38 1sac n GLY 111 Ca -0.09 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.51 3.92 0.05 2.61 2.01 -0.28 -5.02 115.64 117.42 1sac s THR 112 Ca 0.00 -0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 1sac s THR 112 Cb 0.00 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.71 1sac s THR 112 CO 0.00 0.46 1.21 -2.16 -0.69 0.00 0.00 174.62 173.44 1sac s PRO 113 N 0.68 4.42 0.86 4.92 0.04 -1.26 -0.53 135.00 144.12 1sac s PRO 113 Ca -0.01 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1sac s PRO 113 Cb -0.14 -3.37 0.14 0.00 0.04 0.00 0.00 34.50 31.17 1sac s PRO 113 CO 0.02 -0.28 1.21 -0.51 0.04 0.00 0.00 177.00 177.48 1sac s LEU 114 N 1.18 2.67 0.24 -3.56 1.43 0.34 -4.94 118.68 116.05 1sac s LEU 114 Ca 0.59 0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 53.81 1sac s LEU 114 Cb -0.29 -2.72 -0.11 0.00 0.03 0.00 0.00 46.19 43.10 1sac s LEU 114 CO 0.29 -2.25 1.55 -0.69 0.23 0.00 0.00 176.35 175.48 1sac s VAL 115 N -3.65 2.39 0.33 -1.59 1.01 -1.26 -4.67 120.40 112.96 1sac s VAL 115 Ca 0.68 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 1sac s VAL 115 Cb -0.07 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1sac s VAL 115 CO 0.50 0.04 1.16 -0.54 0.00 0.00 0.00 175.10 176.26 1sac s LYS 116 N 0.10 4.40 0.24 2.72 1.02 -1.26 -4.76 119.74 122.21 1sac s LYS 116 Ca 0.65 1.89 0.07 0.00 0.02 0.00 0.00 55.97 58.60 1sac s LYS 116 Cb -0.45 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 1sac s LYS 116 CO 0.41 -0.03 -0.10 0.15 -0.92 0.00 0.00 175.35 174.85 1sac s LYS 117 N -1.80 1.45 0.00 1.68 -0.14 -1.03 -5.00 119.74 114.91 1sac s LYS 117 Ca 0.49 -1.69 0.01 0.00 -1.36 0.00 0.00 55.97 53.42 1sac s LYS 117 Cb -0.33 -1.16 -0.00 0.00 -1.68 0.00 0.00 37.83 34.66 1sac s LYS 117 CO 0.42 0.12 -0.04 0.20 -0.76 0.00 0.00 175.35 175.29 1sac s GLY 118 N -3.39 0.20 -0.15 -3.33 0.00 -1.26 0.22 107.32 99.63 1sac s GLY 118 Ca 0.26 -0.21 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 1sac s GLY 118 CO 0.10 -0.19 0.74 0.48 0.00 0.00 0.00 173.10 174.23 1sac s LEU 119 N -0.23 -0.65 -1.26 0.66 2.34 0.22 -4.98 118.68 114.77 1sac s LEU 119 Ca 0.00 0.94 -0.02 0.00 0.06 0.00 0.00 54.13 55.11 1sac s LEU 119 Cb -0.02 2.41 0.01 0.00 -0.56 0.00 0.00 46.19 48.03 1sac s LEU 119 CO -0.00 -0.44 0.98 0.54 -1.06 0.00 0.00 176.35 176.37 1sac n ARG 120 N 1.55 -6.53 -2.10 1.48 1.74 -1.26 -4.50 116.66 107.04 1sac n ARG 120 Ca -0.16 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1sac n ARG 120 Cb 0.56 -5.74 -0.03 0.00 -1.02 0.00 0.00 32.46 26.24 1sac n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1sac s GLN 121 N -5.70 4.26 0.00 5.56 0.74 -1.26 -2.28 119.66 120.97 1sac s GLN 121 Ca 0.14 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1sac s GLN 121 Cb -0.06 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.53 1sac s GLN 121 CO 0.75 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 1sac n GLY 122 N 3.74 0.05 3.81 2.59 0.00 -0.75 -4.98 105.19 109.66 1sac n GLY 122 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 3.43 -0.20 1.61 5.04 -0.97 -5.03 117.35 119.24 1sac s TYR 123 Ca 0.00 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 1sac s TYR 123 Cb 0.00 -2.81 0.02 0.00 0.35 0.00 0.00 41.96 39.53 1sac s TYR 123 CO 0.00 0.03 -0.17 -0.06 -1.34 0.00 0.00 175.55 174.01 1sac s PHE 124 N -1.97 2.86 -0.05 4.97 0.40 -1.26 -4.67 117.98 118.26 1sac s PHE 124 Ca 0.57 -1.65 -0.30 0.00 -0.60 0.00 0.00 56.93 54.95 1sac s PHE 124 Cb -0.12 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1sac s PHE 124 CO 0.17 -0.79 1.08 0.14 0.70 0.00 0.00 175.22 176.52 1sac s VAL 125 N 1.29 4.56 0.65 -0.44 -7.23 -0.67 -4.83 120.40 113.73 1sac s VAL 125 Ca 0.03 1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 61.87 1sac s VAL 125 Cb -0.14 -4.18 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 1sac s VAL 125 CO -0.11 0.05 1.26 -1.61 -0.31 0.00 0.00 175.10 174.39 1sac s GLU 126 N 1.74 2.56 0.04 4.82 0.41 -1.26 -0.51 118.70 126.50 1sac s GLU 126 Ca 0.53 1.97 -0.00 0.00 -0.41 0.00 0.00 54.97 57.06 1sac s GLU 126 Cb -0.22 -1.86 0.01 0.00 -1.78 0.00 0.00 34.13 30.28 1sac s GLU 126 CO 0.23 -1.57 0.06 0.00 -0.49 0.00 0.00 175.26 173.49 1sac n ALA 127 N -1.98 0.00 -3.81 5.21 0.00 -1.26 -4.72 120.51 113.95 1sac n ALA 127 Ca 0.15 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 1sac n ALA 127 Cb 0.49 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.98 1sac n ALA 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sac n GLN 128 N -1.11 -1.20 -2.71 0.00 6.02 -1.02 -4.82 117.38 112.54 1sac n GLN 128 Ca 0.01 0.36 -0.20 0.00 -0.01 0.00 0.00 57.00 57.15 1sac n GLN 128 Cb 0.03 -3.79 0.03 0.00 1.02 0.00 0.00 30.24 27.54 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 -6.39 2.60 -0.26 -1.09 0.04 -1.26 -4.59 135.00 124.04 1sac s PRO 129 Ca 0.43 -0.87 0.03 0.00 0.04 0.00 0.00 61.00 60.62 1sac s PRO 129 Cb -0.17 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.89 1sac s PRO 129 CO 0.89 -0.63 -0.08 0.21 0.04 0.00 0.00 177.00 177.43 1sac s LYS 130 N -4.68 2.01 -0.17 4.56 2.20 0.50 -4.90 119.74 119.26 1sac s LYS 130 Ca 0.57 -1.32 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 1sac s LYS 130 Cb -0.10 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1sac s LYS 130 CO 0.37 -0.62 -0.01 0.42 -0.36 0.00 0.00 175.35 175.15 1sac s ILE 131 N 1.15 4.03 0.02 5.43 1.01 -1.26 -2.34 121.20 129.24 1sac s ILE 131 Ca -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1sac s ILE 131 Cb -0.20 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1sac s ILE 131 CO -0.06 0.47 -0.07 0.68 0.00 0.00 0.00 174.94 175.96 1sac s VAL 132 N 0.53 0.51 -0.01 2.92 -7.23 0.21 -1.12 120.40 116.20 1sac s VAL 132 Ca -0.02 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1sac s VAL 132 Cb -0.14 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1sac s VAL 132 CO 0.02 -0.17 0.00 -0.76 -0.31 0.00 0.00 175.10 173.89 1sac s LEU 133 N -0.97 3.52 0.00 1.32 1.02 -0.42 -2.51 118.68 120.64 1sac s LEU 133 Ca -0.05 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.12 1sac s LEU 133 Cb -0.07 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1sac s LEU 133 CO 0.00 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.28 1sac n GLY 134 N 1.51 2.89 3.38 -3.19 0.00 -1.26 -1.94 105.19 106.58 1sac n GLY 134 Ca -0.15 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 1.43 -0.30 1.61 -1.52 -1.26 -1.37 119.66 118.24 1sac s GLN 135 Ca 0.00 -1.70 -0.08 0.00 -1.95 0.00 0.00 55.36 51.63 1sac s GLN 135 Cb 0.00 -1.02 0.01 0.00 -0.22 0.00 0.00 33.01 31.77 1sac s GLN 135 CO 0.00 0.05 0.11 -2.00 -0.25 0.00 0.00 175.29 173.20 1sac s GLU 136 N -3.73 3.14 0.38 2.91 -6.30 -1.26 -4.61 118.70 109.24 1sac s GLU 136 Ca 0.27 -0.83 -0.25 0.00 -2.50 0.00 0.00 54.97 51.66 1sac s GLU 136 Cb 0.03 -3.45 -0.09 0.00 0.00 0.00 0.00 34.13 30.62 1sac s GLU 136 CO 0.09 -0.45 1.04 -0.65 0.02 0.00 0.00 175.26 175.31 1sac s GLN 137 N 1.53 4.25 0.00 4.30 -0.21 -1.26 -3.93 119.66 124.35 1sac s GLN 137 Ca 0.03 1.50 0.00 0.00 0.02 0.00 0.00 55.36 56.91 1sac s GLN 137 Cb -0.17 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1sac s GLN 137 CO 0.04 -0.06 0.00 -0.25 -2.12 0.00 0.00 175.29 172.90 1sac n ASP 138 N 0.09 0.73 -2.15 5.90 8.00 0.21 -4.75 116.55 124.58 1sac n ASP 138 Ca 0.04 -0.26 -0.04 0.00 0.71 0.00 0.00 54.79 55.24 1sac n ASP 138 Cb 0.49 0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 42.25 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 -0.74 1.74 -4.56 -2.24 3.41 -0.71 -4.82 113.62 105.69 1sac n SER 139 Ca 0.00 -1.30 -0.40 0.00 -0.26 0.00 0.00 58.87 56.91 1sac n SER 139 Cb 0.00 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.43 2.51 0.00 7.33 5.04 -1.26 -3.50 117.35 126.04 1sac s TYR 140 Ca 0.01 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 53.78 1sac s TYR 140 Cb 0.00 -4.65 0.00 0.00 0.35 0.00 0.00 41.96 37.66 1sac s TYR 140 CO 0.01 -1.88 0.00 0.41 -1.34 0.00 0.00 175.55 172.74 1sac n GLY 141 N 6.57 1.11 0.00 8.97 0.00 -1.26 -5.03 105.19 115.55 1sac n GLY 141 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.00 3.74 3.63 -0.02 0.00 -1.23 -4.99 105.19 105.32 1sac n GLY 142 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.71 -2.13 1.61 5.02 -1.26 -0.62 118.16 119.07 1sac n LYS 143 Ca 0.00 0.53 -0.32 0.00 -2.02 0.00 0.00 58.31 56.50 1sac n LYS 143 Cb 0.00 -4.48 -0.00 0.00 -0.02 0.00 0.00 35.03 30.53 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 -3.49 3.24 -0.10 2.13 0.08 -1.26 -2.73 117.98 115.85 1sac s PHE 144 Ca 0.42 1.47 -0.01 0.00 0.12 0.00 0.00 56.93 58.93 1sac s PHE 144 Cb -0.13 -2.88 0.03 0.00 -0.57 0.00 0.00 43.02 39.46 1sac s PHE 144 CO 0.84 -0.79 -0.03 0.34 -0.10 0.00 0.00 175.22 175.48 1sac s ASP 145 N -3.11 1.98 0.39 1.36 -1.08 -1.25 -5.01 116.67 109.94 1sac s ASP 145 Ca 0.60 -0.26 0.07 0.00 -0.52 0.00 0.00 52.55 52.45 1sac s ASP 145 Cb -0.13 -0.62 0.80 0.00 -1.46 0.00 0.00 42.92 41.51 1sac s ASP 145 CO 0.38 -0.18 2.00 -0.09 0.52 0.00 0.00 175.17 177.80 1sac h ARG 146 N 8.26 0.50 -0.24 4.34 2.43 -1.93 -1.02 114.38 126.72 1sac h ARG 146 Ca -0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1sac h ARG 146 Cb 1.13 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1sac h ARG 146 CO 0.32 0.40 0.00 -1.13 -1.51 0.00 0.00 179.97 178.06 1sac n SER 147 N -4.41 1.08 0.00 -3.80 3.41 -1.26 -2.22 113.62 106.42 1sac n SER 147 Ca 0.02 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1sac n SER 147 Cb 0.12 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.05 0.76 -2.08 4.33 6.02 -0.41 -4.65 117.38 121.40 1sac n GLN 148 Ca 0.06 -0.88 -0.36 0.00 -0.01 0.00 0.00 57.00 55.81 1sac n GLN 148 Cb 0.18 -0.95 0.02 0.00 1.02 0.00 0.00 30.24 30.52 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 -0.41 5.36 -0.28 1.08 1.04 -0.94 -1.87 113.70 117.68 1sac s SER 149 Ca 0.00 2.34 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 1sac s SER 149 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1sac s SER 149 CO 0.00 -1.47 0.17 0.12 0.98 0.00 0.00 173.24 173.03 1sac s PHE 150 N -1.63 3.19 -0.25 5.02 5.36 -0.47 -4.67 117.98 124.54 1sac s PHE 150 Ca 0.76 -0.02 0.02 0.00 -0.96 0.00 0.00 56.93 56.73 1sac s PHE 150 Cb -0.29 -2.35 0.06 0.00 -0.34 0.00 0.00 43.02 40.10 1sac s PHE 150 CO 0.32 -0.22 -0.10 0.54 -1.46 0.00 0.00 175.22 174.31 1sac s VAL 151 N 1.72 1.94 -3.97 3.12 0.11 -1.26 -4.73 120.40 117.33 1sac s VAL 151 Ca 0.07 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.67 1sac s VAL 151 Cb -0.16 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1sac s VAL 151 CO 0.09 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1sac n GLY 152 N 4.53 -0.54 3.18 6.54 0.00 -0.19 -4.51 105.19 114.20 1sac n GLY 152 Ca -0.14 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.59 1.69 -0.04 1.61 2.02 0.14 0.05 118.70 122.58 1sac s GLU 153 Ca 0.00 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.35 1sac s GLU 153 Cb 0.00 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1sac s GLU 153 CO 0.00 0.36 -0.14 0.42 0.02 0.00 0.00 175.26 175.92 1sac s ILE 154 N -0.28 1.21 0.31 -1.63 1.01 -0.62 -0.33 121.20 120.88 1sac s ILE 154 Ca 0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1sac s ILE 154 Cb -0.09 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.32 1sac s ILE 154 CO 0.00 0.36 0.46 -0.83 0.00 0.00 0.00 174.94 174.93 1sac s GLY 155 N 0.22 1.26 -1.26 6.18 0.00 -0.33 -1.45 107.32 111.93 1sac s GLY 155 Ca -0.06 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 1sac s GLY 155 CO 0.02 -0.93 0.64 1.22 0.00 0.00 0.00 173.10 174.05 1sac n ASP 156 N -1.12 -2.78 -4.59 1.64 8.00 -1.26 -1.38 116.55 115.06 1sac n ASP 156 Ca 0.00 -0.97 -0.40 0.00 0.71 0.00 0.00 54.79 54.13 1sac n ASP 156 Cb 0.62 -3.42 -0.08 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 -6.67 4.16 -0.01 0.64 1.98 -1.25 -3.80 118.68 113.72 1sac s LEU 157 Ca 0.22 0.21 0.04 0.00 -2.89 0.00 0.00 54.13 51.71 1sac s LEU 157 Cb -0.08 -2.52 -0.01 0.00 0.66 0.00 0.00 46.19 44.24 1sac s LEU 157 CO 0.86 -0.30 -0.13 -0.31 -1.89 0.00 0.00 176.35 174.58 1sac s TYR 158 N 2.21 1.14 -0.05 5.38 2.02 -0.11 -2.10 117.35 125.84 1sac s TYR 158 Ca 0.17 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1sac s TYR 158 Cb -0.16 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1sac s TYR 158 CO 0.11 -0.03 -0.03 1.41 -1.57 0.00 0.00 175.55 175.44 1sac s MET 159 N -0.25 0.74 0.13 -0.62 1.75 0.16 -1.22 119.30 119.98 1sac s MET 159 Ca 0.04 -0.04 0.04 0.00 -1.25 0.00 0.00 55.69 54.48 1sac s MET 159 Cb -0.05 -0.85 -0.04 0.00 2.84 0.00 0.00 34.83 36.73 1sac s MET 159 CO -0.00 -0.14 0.11 -1.58 -0.65 0.00 0.00 175.02 172.76 1sac s TRP 160 N 1.19 3.16 -0.43 4.11 0.51 0.06 -0.38 118.94 127.16 1sac s TRP 160 Ca -0.07 0.02 0.03 0.00 -2.12 0.00 0.00 56.10 53.96 1sac s TRP 160 Cb -0.14 -1.55 0.56 0.00 -0.81 0.00 0.00 33.47 31.53 1sac s TRP 160 CO -0.02 0.52 1.85 -0.40 -0.51 0.00 0.00 176.95 178.39 1sac n ASP 161 N -0.03 4.30 -4.33 2.95 5.75 -1.26 -2.25 116.55 121.67 1sac n ASP 161 Ca -0.08 -3.45 -0.17 0.00 -0.01 0.00 0.00 54.79 51.07 1sac n ASP 161 Cb 0.53 -0.83 -0.10 0.00 -1.03 0.00 0.00 41.12 39.69 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 -1.08 1.50 -0.38 -1.12 1.04 -1.26 -4.38 113.70 108.02 1sac s SER 162 Ca 0.51 -1.33 -0.24 0.00 0.48 0.00 0.00 55.95 55.37 1sac s SER 162 Cb 0.43 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1sac s SER 162 CO 0.08 -0.65 0.83 -0.69 0.98 0.00 0.00 173.24 173.78 1sac s VAL 163 N -3.61 4.67 0.28 5.02 1.01 -1.26 -2.73 120.40 123.77 1sac s VAL 163 Ca 0.34 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 1sac s VAL 163 Cb 0.07 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1sac s VAL 163 CO 0.12 -0.52 1.12 -0.76 0.00 0.00 0.00 175.10 175.06 1sac s LEU 164 N 3.26 4.54 0.78 3.92 1.02 -1.26 -5.05 118.68 125.89 1sac s LEU 164 Ca 0.33 2.30 -0.12 0.00 0.02 0.00 0.00 54.13 56.66 1sac s LEU 164 Cb -0.13 -3.63 0.06 0.00 0.02 0.00 0.00 46.19 42.52 1sac s LEU 164 CO 0.19 -0.18 1.13 -2.16 0.02 0.00 0.00 176.35 175.34 1sac s PRO 165 N -1.41 2.21 0.44 1.29 0.04 -1.26 -4.83 135.00 131.48 1sac s PRO 165 Ca 0.45 0.36 0.11 0.00 0.04 0.00 0.00 61.00 61.97 1sac s PRO 165 Cb -0.33 -1.96 0.99 0.00 0.04 0.00 0.00 34.50 33.25 1sac s PRO 165 CO 0.42 -1.47 2.04 -1.35 0.04 0.00 0.00 177.00 176.68 1sac h PRO 166 N -0.97 0.22 -0.75 0.56 0.11 -2.00 -1.46 132.00 127.71 1sac h PRO 166 Ca -0.46 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1sac h PRO 166 Cb 1.29 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1sac h PRO 166 CO 0.63 0.23 0.42 0.93 -0.21 0.00 0.00 178.00 180.00 1sac h GLU 167 N 0.22 0.71 0.00 1.05 3.07 -2.00 -0.96 114.58 116.67 1sac h GLU 167 Ca 0.05 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.67 1sac h GLU 167 Cb 0.12 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 1sac h GLU 167 CO 0.00 0.47 -1.03 -0.91 -1.40 0.00 0.00 179.01 176.14 1sac h ASN 168 N 0.73 0.00 -0.89 1.42 2.35 -1.64 -2.14 115.58 115.41 1sac h ASN 168 Ca 0.35 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.13 1sac h ASN 168 Cb 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1sac h ASN 168 CO -0.23 0.91 0.59 0.40 -1.65 0.00 0.00 177.43 177.46 1sac h ILE 169 N 0.00 1.18 -0.04 2.81 2.04 -1.20 -2.66 117.51 119.66 1sac h ILE 169 Ca -0.05 -0.40 -0.22 0.00 1.00 0.00 0.00 64.86 65.19 1sac h ILE 169 Cb 1.74 -0.08 0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1sac h ILE 169 CO 0.11 0.21 -0.85 -0.07 0.00 0.00 0.00 178.15 177.55 1sac h LEU 170 N 1.16 0.81 -2.02 1.44 3.38 -0.88 -0.20 115.31 118.99 1sac h LEU 170 Ca 0.34 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1sac h LEU 170 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1sac h LEU 170 CO -0.09 1.42 -0.07 0.77 0.09 0.00 0.00 178.44 180.55 1sac h SER 171 N 0.28 0.00 0.55 -0.43 4.64 -1.43 0.37 113.55 117.53 1sac h SER 171 Ca -0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.93 1sac h SER 171 Cb 1.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.62 1sac h SER 171 CO 0.17 0.07 -1.32 0.00 -0.87 0.00 0.00 176.83 174.88 1sac h ALA 172 N 1.93 0.06 -0.12 5.18 0.00 -1.03 0.51 119.26 125.79 1sac h ALA 172 Ca -0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 53.90 1sac h ALA 172 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sac h ALA 172 CO 0.01 0.93 -0.41 -0.92 0.00 0.00 0.00 179.25 178.86 1sac h TYR 173 N 0.09 0.32 -0.02 0.00 3.20 0.14 -2.82 116.97 117.88 1sac h TYR 173 Ca -0.17 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1sac h TYR 173 Cb 2.02 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.21 1sac h TYR 173 CO 0.08 0.65 -0.02 1.04 -1.64 0.00 0.00 178.16 178.26 1sac n GLN 174 N -4.03 1.89 0.00 1.82 6.02 0.12 -4.91 117.38 118.30 1sac n GLN 174 Ca -0.01 -1.34 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 1sac n GLN 174 Cb 0.48 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 1.26 1.08 2.43 1.08 0.00 -0.89 -5.03 105.19 105.11 1sac n GLY 175 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.09 -0.46 -2.07 2.61 -2.24 0.17 -5.01 114.28 106.20 1sac n THR 176 Ca 0.00 -3.88 -0.33 0.00 -2.27 0.00 0.00 64.05 57.58 1sac n THR 176 Cb 0.00 -1.83 0.01 0.00 -2.10 0.00 0.00 70.33 66.41 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 -0.59 3.36 0.41 -0.78 0.04 -1.20 -4.17 135.00 132.07 1sac s PRO 177 Ca 0.33 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1sac s PRO 177 Cb 0.06 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1sac s PRO 177 CO -0.17 -0.78 1.26 1.28 0.04 0.00 0.00 177.00 178.64 1sac n LEU 178 N -1.99 3.93 -4.60 -3.56 4.77 -1.26 -4.95 117.00 109.33 1sac n LEU 178 Ca 0.09 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 56.75 1sac n LEU 178 Cb 0.53 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 1sac n LEU 178 CO 0.47 -0.67 0.58 -2.65 -1.33 0.00 0.00 177.39 173.79 1sac n PRO 179 N 0.08 1.40 -4.66 3.23 -0.02 -1.26 -4.98 135.00 128.78 1sac n PRO 179 Ca 0.07 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 1sac n PRO 179 Cb 0.39 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.82 1sac n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sac s ALA 180 N -1.14 2.85 -0.55 3.55 0.00 -1.26 -5.02 121.76 120.18 1sac s ALA 180 Ca 0.60 -1.00 0.12 0.00 0.00 0.00 0.00 51.96 51.68 1sac s ALA 180 Cb -0.64 -1.05 -0.14 0.00 0.00 0.00 0.00 23.12 21.29 1sac s ALA 180 CO 0.59 0.58 0.51 0.27 0.00 0.00 0.00 175.76 177.71 1sac n ASN 181 N 1.95 0.66 -0.11 0.00 6.94 -1.19 -4.55 115.26 118.97 1sac n ASN 181 Ca -0.17 -0.75 -0.21 0.00 -0.02 0.00 0.00 54.58 53.43 1sac n ASN 181 Cb 0.52 1.03 -0.12 0.00 -2.36 0.00 0.00 39.78 38.86 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 -1.33 1.54 -3.84 1.53 5.41 0.49 -4.96 119.36 118.20 1sac n ILE 182 Ca 0.02 -0.52 -0.12 0.00 1.00 0.00 0.00 62.75 63.13 1sac n ILE 182 Cb 0.20 -1.59 -0.14 0.00 -0.71 0.00 0.00 39.64 37.40 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 -6.86 1.72 -0.20 1.39 2.01 -0.69 -4.79 118.68 111.26 1sac s LEU 183 Ca -0.34 0.09 -0.04 0.00 0.01 0.00 0.00 54.13 53.85 1sac s LEU 183 Cb 0.10 0.13 0.10 0.00 0.01 0.00 0.00 46.19 46.53 1sac s LEU 183 CO 0.60 -0.03 0.26 -0.62 1.01 0.00 0.00 176.35 177.57 1sac s ASP 184 N 0.17 0.96 0.46 2.29 2.15 -1.26 0.36 116.67 121.80 1sac s ASP 184 Ca -0.01 0.01 0.29 0.00 0.43 0.00 0.00 52.55 53.26 1sac s ASP 184 Cb -0.02 0.59 1.56 0.00 -0.30 0.00 0.00 42.92 44.75 1sac s ASP 184 CO -0.00 -0.31 1.87 -0.25 -0.17 0.00 0.00 175.17 176.31 1sac h TRP 185 N 8.28 0.00 0.00 -5.34 2.91 -1.79 0.15 115.95 120.16 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 1.15 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1sac h TRP 185 CO 0.17 0.00 -0.89 1.04 -1.03 0.00 0.00 178.44 177.74 1sac n GLN 186 N -2.55 0.08 -3.01 2.65 6.02 -1.26 -1.33 117.38 117.99 1sac n GLN 186 Ca -0.02 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.82 1sac n GLN 186 Cb 0.11 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.59 0.93 -2.58 -1.58 0.00 0.47 -3.65 120.51 112.50 1sac n ALA 187 Ca 0.04 -2.64 -0.38 0.00 0.00 0.00 0.00 53.44 50.46 1sac n ALA 187 Cb 0.36 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.38 4.43 -0.38 0.00 2.96 -0.11 -4.56 118.68 118.65 1sac s LEU 188 Ca 0.33 0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 55.02 1sac s LEU 188 Cb 0.33 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 44.55 1sac s LEU 188 CO -0.07 0.29 0.19 0.21 -1.32 0.00 0.00 176.35 175.65 1sac s ASN 189 N -0.81 5.51 0.11 3.68 2.47 -1.26 -0.02 114.94 124.63 1sac s ASN 189 Ca 0.22 -1.29 -0.03 0.00 0.42 0.00 0.00 52.86 52.19 1sac s ASN 189 Cb -0.16 -1.94 -0.03 0.00 -1.45 0.00 0.00 41.25 37.67 1sac s ASN 189 CO 0.11 -0.43 0.07 -0.72 -3.72 0.00 0.00 177.10 172.42 1sac s TYR 190 N 1.43 0.68 -0.07 0.43 -0.85 -1.26 -0.54 117.35 117.16 1sac s TYR 190 Ca 0.01 -1.09 0.04 0.00 -0.52 0.00 0.00 57.07 55.51 1sac s TYR 190 Cb -0.21 -0.38 -0.00 0.00 0.38 0.00 0.00 41.96 41.75 1sac s TYR 190 CO 0.03 -0.51 -0.21 -1.21 -1.52 0.00 0.00 175.55 172.13 1sac s GLU 191 N -4.00 2.35 -0.08 -3.49 2.02 -0.04 -4.95 118.70 110.51 1sac s GLU 191 Ca 0.18 -0.74 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 1sac s GLU 191 Cb 0.07 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1sac s GLU 191 CO -0.02 0.23 0.58 0.42 0.02 0.00 0.00 175.26 176.49 1sac s ILE 192 N 0.16 5.10 -0.15 -1.63 1.01 -1.26 -0.12 121.20 124.31 1sac s ILE 192 Ca -0.10 1.18 0.02 0.00 0.00 0.00 0.00 60.65 61.75 1sac s ILE 192 Cb -0.15 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1sac s ILE 192 CO 0.05 0.31 -0.19 -0.13 0.00 0.00 0.00 174.94 174.97 1sac s ARG 193 N 0.58 2.80 0.72 2.79 1.81 0.15 -4.99 118.95 122.81 1sac s ARG 193 Ca 0.31 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1sac s ARG 193 Cb -0.16 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 1sac s ARG 193 CO 0.14 -0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.07 1sac n GLY 194 N 4.32 -1.53 3.45 -3.53 0.00 -1.26 -0.31 105.19 106.32 1sac n GLY 194 Ca -0.20 -1.75 -0.44 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 3.01 -0.16 1.61 5.04 -1.26 -4.92 117.35 120.68 1sac s TYR 195 Ca 0.00 -1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 53.39 1sac s TYR 195 Cb 0.00 -4.28 0.08 0.00 0.35 0.00 0.00 41.96 38.10 1sac s TYR 195 CO 0.00 -1.52 0.28 0.54 -1.34 0.00 0.00 175.55 173.51 1sac s VAL 196 N 3.01 -0.44 -0.04 3.14 0.11 -1.26 -4.39 120.40 120.52 1sac s VAL 196 Ca 0.30 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1sac s VAL 196 Cb -0.08 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1sac s VAL 196 CO -0.05 0.05 0.15 -0.63 -3.33 0.00 0.00 175.10 171.29 1sac s ILE 197 N 2.44 5.31 -0.22 7.04 -1.09 -0.92 -4.93 121.20 128.82 1sac s ILE 197 Ca 0.03 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.23 1sac s ILE 197 Cb -0.13 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1sac s ILE 197 CO -0.10 0.41 0.19 -0.63 -1.23 0.00 0.00 174.94 173.59 1sac s ILE 198 N -1.21 5.35 0.10 2.92 1.01 -1.26 -0.21 121.20 127.89 1sac s ILE 198 Ca 0.23 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1sac s ILE 198 Cb -0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1sac s ILE 198 CO 0.14 0.36 -0.05 -0.54 0.00 0.00 0.00 174.94 174.84 1sac s LYS 199 N 0.90 0.82 0.61 2.79 -0.14 -0.66 -4.97 119.74 119.08 1sac s LYS 199 Ca 0.10 -1.33 -0.18 0.00 -1.36 0.00 0.00 55.97 53.19 1sac s LYS 199 Cb -0.13 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 35.84 1sac s LYS 199 CO 0.03 -0.04 1.06 -2.30 -0.76 0.00 0.00 175.35 173.34 1sac n PRO 200 N -0.03 0.98 -2.55 -1.68 -0.02 -1.26 -0.65 135.00 129.79 1sac n PRO 200 Ca -0.12 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 1sac n PRO 200 Cb 0.61 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1sac n PRO 200 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sac s LEU 201 N -2.64 3.77 -0.00 2.45 2.96 0.57 -4.63 118.68 121.16 1sac s LEU 201 Ca 0.77 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.55 1sac s LEU 201 Cb -0.41 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 1sac s LEU 201 CO 0.45 -1.12 0.08 1.33 -1.32 0.00 0.00 176.35 175.77 1sac n VAL 202 N 6.44 0.00 -0.25 1.68 0.24 -1.26 -4.64 118.33 120.55 1sac n VAL 202 Ca 0.13 -0.45 0.08 0.00 -2.04 0.00 0.00 64.34 62.06 1sac n VAL 202 Cb 0.48 0.99 0.30 0.00 -1.47 0.00 0.00 33.84 34.14 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 -1.05 1.25 -0.18 6.34 4.27 -1.26 -5.26 117.44 121.54 1sac n TRP 203 Ca 0.00 -0.50 0.00 0.00 -3.89 0.00 0.00 57.50 53.11 1sac n TRP 203 Cb 0.03 -0.21 0.00 0.00 -1.36 0.00 0.00 31.31 29.77 1sac n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68