#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vac s PRO 2 N 0.00 0.01 0.09 1.61 0.02 -1.26 -4.32 135.00 131.15 1vac s PRO 2 Ca 0.00 1.09 -0.14 0.00 0.02 0.00 0.00 61.00 61.97 1vac s PRO 2 Cb 0.00 -1.64 0.02 0.00 0.02 0.00 0.00 34.50 32.90 1vac s PRO 2 CO 0.00 -3.17 0.32 -1.01 -0.33 0.00 0.00 177.00 172.81 1vac s HIS 3 N -2.58 -0.10 0.03 6.54 3.76 -0.63 -4.97 115.29 117.34 1vac s HIS 3 Ca 0.67 -0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.35 1vac s HIS 3 Cb -0.23 0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.58 1vac s HIS 3 CO 0.61 -0.60 0.10 -1.54 -0.85 0.00 0.00 174.74 172.46 1vac s SER 4 N -2.55 0.17 -0.23 1.40 1.04 -1.26 -0.98 113.70 111.28 1vac s SER 4 Ca 0.01 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1vac s SER 4 Cb 0.02 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.41 1vac s SER 4 CO -0.09 -0.50 -0.11 -0.22 0.98 0.00 0.00 173.24 173.30 1vac s LEU 5 N -2.06 2.87 0.10 2.42 2.96 -0.10 -1.63 118.68 123.24 1vac s LEU 5 Ca -0.06 -1.14 0.08 0.00 -0.22 0.00 0.00 54.13 52.78 1vac s LEU 5 Cb -0.02 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1vac s LEU 5 CO -0.04 -0.16 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.51 1vac s ARG 6 N 1.24 1.06 -0.06 1.98 0.52 -0.13 -0.70 118.95 122.87 1vac s ARG 6 Ca -0.05 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.05 1vac s ARG 6 Cb -0.18 -1.27 0.02 0.00 0.52 0.00 0.00 34.95 34.03 1vac s ARG 6 CO -0.07 0.29 -0.07 0.71 0.02 0.00 0.00 175.30 176.18 1vac s TYR 7 N -1.19 1.02 -0.27 -0.53 1.51 0.11 -0.05 117.35 117.95 1vac s TYR 7 Ca 0.05 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.67 1vac s TYR 7 Cb -0.10 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1vac s TYR 7 CO 0.04 -0.24 0.13 -0.06 -1.11 0.00 0.00 175.55 174.30 1vac s PHE 8 N 0.92 3.15 -0.05 2.71 0.08 0.86 -1.82 117.98 123.83 1vac s PHE 8 Ca -0.11 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 56.81 1vac s PHE 8 Cb -0.15 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1vac s PHE 8 CO 0.01 -0.27 -0.15 0.08 -0.10 0.00 0.00 175.22 174.79 1vac s VAL 9 N 1.68 2.99 -0.01 -0.44 1.01 -0.58 -0.93 120.40 124.12 1vac s VAL 9 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1vac s VAL 9 Cb -0.16 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1vac s VAL 9 CO 0.07 0.59 0.01 -0.89 0.00 0.00 0.00 175.10 174.88 1vac s THR 10 N -0.66 0.06 -0.11 3.92 2.01 -0.31 -2.09 115.64 118.46 1vac s THR 10 Ca 0.10 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1vac s THR 10 Cb -0.11 -0.13 0.03 0.00 0.01 0.00 0.00 72.50 72.30 1vac s THR 10 CO 0.01 0.08 -0.05 0.00 -0.69 0.00 0.00 174.62 173.97 1vac s ALA 11 N 0.63 1.15 -0.11 7.40 0.00 -0.70 -1.00 121.76 129.14 1vac s ALA 11 Ca -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1vac s ALA 11 Cb -0.08 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1vac s ALA 11 CO -0.02 -0.50 -0.06 0.54 0.00 0.00 0.00 175.76 175.72 1vac s VAL 12 N 1.78 0.92 0.63 0.00 0.11 -0.57 -1.10 120.40 122.17 1vac s VAL 12 Ca 0.04 -0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 58.72 1vac s VAL 12 Cb -0.13 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1vac s VAL 12 CO -0.07 0.34 1.06 -0.94 -3.33 0.00 0.00 175.10 172.15 1vac s SER 13 N 1.75 5.63 -0.38 3.54 1.04 -0.17 -1.23 113.70 123.88 1vac s SER 13 Ca 0.05 1.74 0.11 0.00 0.48 0.00 0.00 55.95 58.33 1vac s SER 13 Cb -0.13 -2.52 0.34 0.00 0.10 0.00 0.00 66.02 63.82 1vac s SER 13 CO -0.08 -1.27 0.77 0.54 0.98 0.00 0.00 173.24 174.18 1vac n ARG 14 N -2.44 0.97 -1.58 4.02 1.74 -1.26 -4.07 116.66 114.04 1vac n ARG 14 Ca 0.08 -3.20 -0.55 0.00 -0.77 0.00 0.00 57.85 53.41 1vac n ARG 14 Cb 0.53 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 1vac n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1vac n PRO 15 N 0.33 0.75 0.00 5.56 -0.02 -1.26 -0.86 135.00 139.50 1vac n PRO 15 Ca 0.23 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1vac n PRO 15 Cb 0.66 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1vac n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vac n GLY 16 N 2.38 1.82 0.06 -1.23 0.00 -1.26 -4.67 105.19 102.30 1vac n GLY 16 Ca 0.20 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1vac n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vac n LEU 17 N 0.00 0.43 0.00 0.99 4.77 -0.04 -5.02 117.00 118.13 1vac n LEU 17 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1vac n LEU 17 Cb 0.00 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1vac n LEU 17 CO 0.00 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1vac n GLY 18 N 1.08 0.94 3.79 -0.72 0.00 -0.75 -5.06 105.19 104.47 1vac n GLY 18 Ca 0.05 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1vac n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vac s GLU 19 N -1.80 3.71 0.71 1.61 0.41 -1.26 -4.39 118.70 117.69 1vac s GLU 19 Ca 0.00 1.41 -0.16 0.00 -0.41 0.00 0.00 54.97 55.81 1vac s GLU 19 Cb 0.00 -2.08 0.03 0.00 -1.78 0.00 0.00 34.13 30.30 1vac s GLU 19 CO 0.00 -0.52 1.25 -2.14 -0.49 0.00 0.00 175.26 173.36 1vac s PRO 20 N -3.25 2.18 -0.14 0.39 0.02 -1.26 -4.64 135.00 128.30 1vac s PRO 20 Ca 0.68 1.90 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 1vac s PRO 20 Cb -0.18 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1vac s PRO 20 CO 0.21 -1.84 0.28 0.50 -0.33 0.00 0.00 177.00 175.83 1vac s ARG 21 N -3.73 4.11 -0.07 5.54 3.52 -0.37 -4.93 118.95 123.02 1vac s ARG 21 Ca 0.78 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 56.50 1vac s ARG 21 Cb -0.33 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1vac s ARG 21 CO 0.44 0.37 -0.18 -0.47 -0.81 0.00 0.00 175.30 174.65 1vac s TYR 22 N 0.08 1.95 0.02 5.12 5.04 -1.26 -1.51 117.35 126.79 1vac s TYR 22 Ca 0.17 -0.72 0.02 0.00 -2.44 0.00 0.00 57.07 54.10 1vac s TYR 22 Cb -0.13 -1.34 -0.02 0.00 0.35 0.00 0.00 41.96 40.82 1vac s TYR 22 CO 0.05 -0.30 -0.07 -1.64 -1.34 0.00 0.00 175.55 172.24 1vac s MET 23 N 0.38 0.53 -0.09 4.97 -1.94 -0.17 -1.47 119.30 121.51 1vac s MET 23 Ca -0.13 -0.52 -0.00 0.00 -1.71 0.00 0.00 55.69 53.32 1vac s MET 23 Cb -0.16 -0.41 0.02 0.00 2.01 0.00 0.00 34.83 36.30 1vac s MET 23 CO 0.05 0.09 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.89 1vac s GLU 24 N -0.93 1.23 -0.07 2.03 2.02 -0.44 -1.16 118.70 121.38 1vac s GLU 24 Ca -0.04 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 54.81 1vac s GLU 24 Cb -0.06 -1.31 0.01 0.00 0.10 0.00 0.00 34.13 32.87 1vac s GLU 24 CO 0.00 -0.21 -0.15 0.08 0.02 0.00 0.00 175.26 175.01 1vac s VAL 25 N 1.51 1.34 0.05 2.63 1.01 -0.10 -0.71 120.40 126.12 1vac s VAL 25 Ca -0.00 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1vac s VAL 25 Cb -0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1vac s VAL 25 CO -0.05 0.40 -0.16 -0.83 0.00 0.00 0.00 175.10 174.46 1vac s GLY 26 N 0.58 1.62 -0.03 4.51 0.00 -0.39 -0.10 107.32 113.51 1vac s GLY 26 Ca -0.15 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.41 1vac s GLY 26 CO 0.05 -1.09 -0.09 -0.19 0.00 0.00 0.00 173.10 171.78 1vac s TYR 27 N -0.97 1.03 -0.32 1.90 1.51 0.93 -1.36 117.35 120.06 1vac s TYR 27 Ca 0.16 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1vac s TYR 27 Cb -0.11 -0.74 0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1vac s TYR 27 CO 0.07 -0.13 0.09 0.08 -1.11 0.00 0.00 175.55 174.54 1vac s VAL 28 N 0.30 3.79 0.00 0.71 1.01 -0.70 -0.95 120.40 124.56 1vac s VAL 28 Ca -0.05 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1vac s VAL 28 Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1vac s VAL 28 CO 0.01 -0.08 0.00 0.47 0.00 0.00 0.00 175.10 175.50 1vac n ASP 29 N 4.82 0.00 -1.71 3.32 8.00 -0.64 -1.64 116.55 128.70 1vac n ASP 29 Ca -0.13 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.44 1vac n ASP 29 Cb 0.46 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.92 1vac n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1vac n ASP 30 N 6.18 5.11 -4.31 -2.24 8.00 -1.26 -4.91 116.55 123.11 1vac n ASP 30 Ca 0.00 -2.72 -0.33 0.00 0.71 0.00 0.00 54.79 52.44 1vac n ASP 30 Cb 0.00 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.31 1vac n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1vac s THR 31 N -2.38 2.96 0.16 -3.53 2.01 -0.65 -5.01 115.64 109.20 1vac s THR 31 Ca 0.50 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1vac s THR 31 Cb 0.36 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.53 1vac s THR 31 CO 0.17 0.50 1.13 -0.70 -0.69 0.00 0.00 174.62 175.03 1vac s GLU 32 N 0.79 4.55 0.00 4.92 2.12 -1.26 -1.72 118.70 128.10 1vac s GLU 32 Ca -0.05 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.03 1vac s GLU 32 Cb -0.15 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1vac s GLU 32 CO 0.01 -0.01 0.00 1.97 -0.54 0.00 0.00 175.26 176.69 1vac n PHE 33 N 2.67 0.00 -3.76 5.30 -1.74 -0.46 -4.36 117.46 115.11 1vac n PHE 33 Ca 0.04 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.81 1vac n PHE 33 Cb 0.46 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.38 1vac n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1vac s VAL 34 N -0.34 0.07 -0.09 1.97 -7.23 -1.24 -0.07 120.40 113.49 1vac s VAL 34 Ca 0.00 -0.59 -0.25 0.00 -1.81 0.00 0.00 61.98 59.33 1vac s VAL 34 Cb 0.00 -0.79 0.06 0.00 0.56 0.00 0.00 36.38 36.20 1vac s VAL 34 CO 0.00 -0.32 0.58 -0.60 -0.31 0.00 0.00 175.10 174.44 1vac s ARG 35 N -2.00 0.88 -0.05 4.82 3.52 -0.69 -1.26 118.95 124.17 1vac s ARG 35 Ca -0.09 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1vac s ARG 35 Cb -0.03 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1vac s ARG 35 CO 0.00 -0.24 0.02 0.12 -0.81 0.00 0.00 175.30 174.39 1vac s PHE 36 N -0.85 0.38 -0.16 5.12 5.36 0.12 -0.86 117.98 127.09 1vac s PHE 36 Ca -0.09 0.01 -0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1vac s PHE 36 Cb -0.02 -0.57 0.04 0.00 -0.34 0.00 0.00 43.02 42.12 1vac s PHE 36 CO 0.06 -0.22 -0.06 0.34 -1.46 0.00 0.00 175.22 173.88 1vac s ASP 37 N 1.67 2.77 0.58 6.13 -1.08 -1.26 -1.33 116.67 124.14 1vac s ASP 37 Ca -0.01 -0.62 0.36 0.00 -0.52 0.00 0.00 52.55 51.77 1vac s ASP 37 Cb -0.13 -0.93 1.63 0.00 -1.46 0.00 0.00 42.92 42.03 1vac s ASP 37 CO -0.03 -0.17 2.08 0.77 0.52 0.00 0.00 175.17 178.34 1vac h SER 38 N 8.12 0.00 -0.10 -0.34 4.64 -1.66 -1.95 113.55 122.26 1vac h SER 38 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vac h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1vac h SER 38 CO 0.41 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.84 1vac n ASP 39 N -3.07 0.78 -4.81 4.97 9.92 -1.26 -4.79 116.55 118.29 1vac n ASP 39 Ca -0.00 -1.67 -0.31 0.00 -0.53 0.00 0.00 54.79 52.29 1vac n ASP 39 Cb 0.25 -0.06 0.07 0.00 -0.64 0.00 0.00 41.12 40.74 1vac n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1vac s ALA 40 N -1.88 2.44 0.08 2.24 0.00 -0.73 -4.97 121.76 118.93 1vac s ALA 40 Ca 0.25 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 1vac s ALA 40 Cb 0.12 -3.16 -0.15 0.00 0.00 0.00 0.00 23.12 19.94 1vac s ALA 40 CO 0.19 -1.50 1.49 0.93 0.00 0.00 0.00 175.76 176.87 1vac h GLU 41 N -0.93 -0.84 -4.21 0.00 5.08 -1.89 -3.35 114.58 108.45 1vac h GLU 41 Ca -0.45 0.06 -0.64 0.00 -1.00 0.00 0.00 59.36 57.32 1vac h GLU 41 Cb 1.24 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 30.27 1vac h GLU 41 CO 0.57 -0.56 -0.71 1.21 -1.00 0.00 0.00 179.01 178.53 1vac s ASN 42 N -4.11 4.53 -0.66 1.42 3.84 -1.26 -5.07 114.94 113.64 1vac s ASN 42 Ca -0.15 -2.28 -0.26 0.00 0.21 0.00 0.00 52.86 50.38 1vac s ASN 42 Cb 0.04 -1.51 -0.12 0.00 -0.55 0.00 0.00 41.25 39.11 1vac s ASN 42 CO 0.52 -0.35 2.43 -2.65 -2.79 0.00 0.00 177.10 174.27 1vac n PRO 43 N 4.07 0.74 -4.18 0.43 -0.02 -1.26 -4.93 135.00 129.85 1vac n PRO 43 Ca 0.04 -0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.14 1vac n PRO 43 Cb 0.40 -3.21 -0.10 0.00 -0.02 0.00 0.00 33.50 30.57 1vac n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1vac s ARG 44 N 8.49 0.88 0.02 -0.52 1.81 -1.26 -5.05 118.95 123.31 1vac s ARG 44 Ca 1.02 -1.31 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 1vac s ARG 44 Cb -0.30 -0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 33.80 1vac s ARG 44 CO 0.25 0.02 1.08 -0.47 -0.68 0.00 0.00 175.30 175.50 1vac s TYR 45 N -3.28 3.54 0.07 -0.53 5.04 -1.26 -4.61 117.35 116.32 1vac s TYR 45 Ca 0.11 1.51 0.09 0.00 -2.44 0.00 0.00 57.07 56.33 1vac s TYR 45 Cb 0.03 -3.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 1vac s TYR 45 CO -0.03 -0.61 -0.22 -1.83 -1.34 0.00 0.00 175.55 171.52 1vac s GLU 46 N 1.15 1.84 0.12 4.97 -1.05 -0.04 -4.96 118.70 120.74 1vac s GLU 46 Ca 0.55 -1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 1vac s GLU 46 Cb -0.24 -2.06 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 1vac s GLU 46 CO 0.28 0.51 0.93 -1.25 0.95 0.00 0.00 175.26 176.67 1vac s PRO 47 N -1.56 4.69 -0.07 -4.83 0.04 -1.26 -1.71 135.00 130.31 1vac s PRO 47 Ca 0.14 1.40 0.12 0.00 0.04 0.00 0.00 61.00 62.70 1vac s PRO 47 Cb -0.10 -3.36 0.34 0.00 0.04 0.00 0.00 34.50 31.43 1vac s PRO 47 CO 0.05 0.28 1.27 0.54 0.04 0.00 0.00 177.00 179.18 1vac n ARG 48 N 2.55 2.79 -3.87 4.56 5.12 0.90 -4.90 116.66 123.82 1vac n ARG 48 Ca 0.01 -2.29 -0.11 0.00 -1.93 0.00 0.00 57.85 53.52 1vac n ARG 48 Cb 0.49 -1.45 -0.11 0.00 -1.16 0.00 0.00 32.46 30.23 1vac n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vac s ALA 49 N -1.75 -0.26 0.22 7.54 0.00 -1.24 -4.56 121.76 121.72 1vac s ALA 49 Ca 0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 1vac s ALA 49 Cb 0.19 -0.01 0.19 0.00 0.00 0.00 0.00 23.12 23.49 1vac s ALA 49 CO 0.11 -0.14 1.83 -0.09 0.00 0.00 0.00 175.76 177.47 1vac h ARG 50 N 5.00 1.21 0.00 0.00 9.65 -1.95 -2.89 114.38 125.40 1vac h ARG 50 Ca -0.29 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.43 1vac h ARG 50 Cb 1.20 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1vac h ARG 50 CO 0.42 0.90 -0.05 0.11 2.80 0.00 0.00 179.97 184.15 1vac h TRP 51 N 1.20 0.00 0.00 2.20 5.08 -1.97 -1.77 115.95 120.70 1vac h TRP 51 Ca 0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.27 1vac h TRP 51 Cb 0.07 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.23 1vac h TRP 51 CO 0.01 0.05 0.00 -1.33 -1.28 0.00 0.00 178.44 175.89 1vac n MET 52 N -3.51 0.11 0.01 0.12 2.81 -1.09 -2.27 117.12 113.30 1vac n MET 52 Ca -0.02 0.13 0.08 0.00 -1.81 0.00 0.00 57.70 56.07 1vac n MET 52 Cb 0.16 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.50 1vac n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1vac n GLU 53 N -1.42 0.02 0.25 0.03 1.02 -0.66 -1.77 120.64 118.10 1vac n GLU 53 Ca 0.07 0.26 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 1vac n GLU 53 Cb 0.21 -1.53 0.56 0.00 -0.02 0.00 0.00 31.44 30.66 1vac n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1vac h GLN 54 N 0.00 0.00 -6.61 3.49 4.20 -1.67 -3.43 115.11 111.09 1vac h GLN 54 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1vac h GLN 54 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1vac h GLN 54 CO 0.00 0.10 0.39 -1.21 -0.67 0.00 0.00 178.83 177.45 1vac s GLU 55 N -3.65 4.69 0.64 1.46 0.41 -0.73 -5.05 118.70 116.47 1vac s GLU 55 Ca 0.01 1.53 -0.01 0.00 -0.41 0.00 0.00 54.97 56.10 1vac s GLU 55 Cb 0.09 -3.34 0.13 0.00 -1.78 0.00 0.00 34.13 29.24 1vac s GLU 55 CO 0.59 0.21 0.88 0.41 -0.49 0.00 0.00 175.26 176.86 1vac n GLY 56 N 2.10 0.58 0.37 -1.39 0.00 -1.26 -4.91 105.19 100.68 1vac n GLY 56 Ca 0.02 -2.01 0.20 0.00 0.00 0.00 0.00 46.02 44.23 1vac n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vac h PRO 57 N 0.00 0.49 -0.89 1.61 0.13 -1.98 -1.20 132.00 130.16 1vac h PRO 57 Ca -0.29 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1vac h PRO 57 Cb 1.06 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 1vac h PRO 57 CO 0.31 0.32 0.50 1.49 -0.23 0.00 0.00 178.00 180.39 1vac h GLU 58 N 0.50 1.23 0.53 0.86 4.81 -1.99 -0.95 114.58 119.57 1vac h GLU 58 Ca 0.64 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 1vac h GLU 58 Cb 1.36 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1vac h GLU 58 CO -0.42 0.88 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.56 1vac h TYR 59 N 1.23 -0.66 -0.98 0.92 3.20 -1.60 -1.00 116.97 118.09 1vac h TYR 59 Ca 0.31 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.20 1vac h TYR 59 Cb 0.00 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1vac h TYR 59 CO 0.01 -0.35 0.64 -1.49 -1.64 0.00 0.00 178.16 175.32 1vac h TRP 60 N -0.87 1.20 -0.20 -3.82 4.06 -1.42 0.15 115.95 115.04 1vac h TRP 60 Ca -0.07 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.78 1vac h TRP 60 Cb 0.61 -0.40 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1vac h TRP 60 CO -0.01 0.69 -0.35 1.49 -3.56 0.00 0.00 178.44 176.70 1vac h GLU 61 N 1.24 0.60 -0.08 0.49 4.57 -1.16 -0.66 114.58 119.57 1vac h GLU 61 Ca 0.39 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1vac h GLU 61 Cb -0.00 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1vac h GLU 61 CO -0.12 0.98 0.05 -0.09 -1.18 0.00 0.00 179.01 178.65 1vac h ARG 62 N 0.28 0.11 -0.68 1.92 2.43 -0.82 -0.86 114.38 116.77 1vac h ARG 62 Ca 0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1vac h ARG 62 Cb 0.94 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1vac h ARG 62 CO 0.08 0.13 0.24 0.93 -1.51 0.00 0.00 179.97 179.83 1vac h GLU 63 N 0.07 1.05 0.04 0.20 4.39 -0.72 -1.81 114.58 117.81 1vac h GLU 63 Ca 0.03 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1vac h GLU 63 Cb 0.04 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1vac h GLU 63 CO -0.01 0.90 -0.05 1.15 -1.16 0.00 0.00 179.01 179.84 1vac h THR 64 N 0.99 0.88 -0.83 1.13 2.02 -0.76 0.06 112.91 116.40 1vac h THR 64 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1vac h THR 64 Cb 0.27 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1vac h THR 64 CO -0.01 0.00 0.52 1.56 0.37 0.00 0.00 175.52 177.96 1vac h GLN 65 N -0.11 1.11 -0.31 6.66 1.08 -1.04 -0.41 115.11 122.09 1vac h GLN 65 Ca 0.01 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1vac h GLN 65 Cb 0.12 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1vac h GLN 65 CO -0.02 0.76 0.11 -0.22 -0.95 0.00 0.00 178.83 178.51 1vac h LYS 66 N 1.14 0.47 -0.74 1.46 3.64 -0.97 -0.55 116.57 121.02 1vac h LYS 66 Ca 0.30 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1vac h LYS 66 Cb -0.08 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 1vac h LYS 66 CO -0.06 0.50 0.46 0.00 -2.27 0.00 0.00 179.45 178.08 1vac h ALA 67 N 0.95 0.98 -0.13 5.00 0.00 -0.32 0.27 119.26 126.00 1vac h ALA 67 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1vac h ALA 67 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vac h ALA 67 CO -0.01 0.24 -0.25 0.87 0.00 0.00 0.00 179.25 180.10 1vac h LYS 68 N 0.90 0.24 -0.30 0.00 1.57 -0.83 0.09 116.57 118.24 1vac h LYS 68 Ca 0.30 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1vac h LYS 68 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1vac h LYS 68 CO -0.12 0.49 -0.09 0.78 -0.57 0.00 0.00 179.45 179.94 1vac h GLY 69 N 0.96 0.64 1.00 3.86 0.00 0.52 -2.30 103.07 107.75 1vac h GLY 69 Ca 0.04 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1vac h GLY 69 CO 0.04 0.49 0.16 3.43 0.00 0.00 0.00 176.54 180.66 1vac h ASN 70 N 0.35 0.83 0.04 0.19 2.35 -0.67 -1.78 115.58 116.90 1vac h ASN 70 Ca 0.07 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1vac h ASN 70 Cb 0.58 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1vac h ASN 70 CO 0.03 0.83 -0.42 -0.08 -1.65 0.00 0.00 177.43 176.14 1vac h GLU 71 N 0.79 -0.58 -0.15 0.81 4.81 -0.86 0.74 114.58 120.13 1vac h GLU 71 Ca 0.18 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1vac h GLU 71 Cb 0.31 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1vac h GLU 71 CO -0.00 -0.39 0.10 1.96 -0.73 0.00 0.00 179.01 179.95 1vac h GLN 72 N -0.60 0.08 -0.14 1.92 1.08 -1.32 -1.86 115.11 114.27 1vac h GLN 72 Ca 0.04 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.04 1vac h GLN 72 Cb 0.66 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1vac h GLN 72 CO -0.29 0.06 -0.69 1.03 -0.95 0.00 0.00 178.83 177.98 1vac h SER 73 N 0.09 0.68 0.86 1.46 0.87 -0.14 -3.17 113.55 114.20 1vac h SER 73 Ca 0.07 -0.42 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 1vac h SER 73 Cb 0.16 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1vac h SER 73 CO -0.01 1.17 -0.45 -0.26 -0.53 0.00 0.00 176.83 176.76 1vac h PHE 74 N 0.41 0.00 0.00 2.24 0.04 -0.15 -2.23 116.94 117.26 1vac h PHE 74 Ca -0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 1vac h PHE 74 Cb 1.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.42 1vac h PHE 74 CO 0.06 0.45 -0.22 0.00 -0.60 0.00 0.00 178.31 178.00 1vac h ARG 75 N 0.00 0.00 0.15 1.51 3.08 -1.39 0.76 114.38 118.49 1vac h ARG 75 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1vac h ARG 75 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.06 1vac h ARG 75 CO 0.06 0.22 -1.30 0.28 -1.07 0.00 0.00 179.97 178.16 1vac h VAL 76 N 0.00 1.45 -0.42 2.04 2.07 -1.49 -3.27 116.25 116.63 1vac h VAL 76 Ca -0.00 -2.99 -0.05 0.00 0.82 0.00 0.00 66.70 64.48 1vac h VAL 76 Cb 0.39 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1vac h VAL 76 CO 0.03 0.88 0.07 0.44 0.02 0.00 0.00 177.57 179.00 1vac h ASP 77 N 0.09 0.67 -0.45 0.57 5.19 -0.75 -2.04 116.42 119.70 1vac h ASP 77 Ca -0.16 -0.26 0.07 0.00 -0.62 0.00 0.00 57.03 56.06 1vac h ASP 77 Cb 2.01 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 41.28 1vac h ASP 77 CO 0.22 0.76 0.10 -0.07 -3.12 0.00 0.00 179.24 177.13 1vac h LEU 78 N 0.55 0.03 -0.41 1.55 3.38 -0.99 0.27 115.31 119.69 1vac h LEU 78 Ca 0.13 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1vac h LEU 78 Cb 0.38 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1vac h LEU 78 CO 0.01 0.05 0.03 0.03 0.09 0.00 0.00 178.44 178.64 1vac h ARG 79 N 0.24 0.71 -0.48 1.13 3.08 -1.59 -2.75 114.38 114.72 1vac h ARG 79 Ca 0.22 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1vac h ARG 79 Cb 0.27 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1vac h ARG 79 CO -0.28 0.78 0.17 1.15 -1.07 0.00 0.00 179.97 180.71 1vac h THR 80 N 0.55 0.83 -0.50 2.04 2.02 -0.78 -1.63 112.91 115.43 1vac h THR 80 Ca 0.12 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1vac h THR 80 Cb 0.44 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1vac h THR 80 CO 0.02 0.06 0.24 -0.07 0.37 0.00 0.00 175.52 176.14 1vac h LEU 81 N 0.34 0.63 -0.77 2.58 3.38 -0.85 -1.51 115.31 119.10 1vac h LEU 81 Ca 0.23 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1vac h LEU 81 Cb 0.25 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1vac h LEU 81 CO -0.24 0.54 0.42 -0.07 0.09 0.00 0.00 178.44 179.18 1vac h LEU 82 N 0.70 0.58 -0.00 1.67 3.38 -0.99 -0.67 115.31 119.99 1vac h LEU 82 Ca 0.18 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1vac h LEU 82 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1vac h LEU 82 CO -0.02 0.34 0.00 1.23 0.09 0.00 0.00 178.44 180.07 1vac h GLY 83 N 0.71 0.01 0.58 0.83 0.00 -1.15 0.32 103.07 104.36 1vac h GLY 83 Ca 0.37 -0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.84 1vac h GLY 83 CO -0.25 0.01 0.55 -0.97 0.00 0.00 0.00 176.54 175.88 1vac h TYR 84 N -0.30 0.70 -0.28 5.60 0.05 -0.81 -1.73 116.97 120.20 1vac h TYR 84 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1vac h TYR 84 Cb 0.31 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1vac h TYR 84 CO 0.03 0.26 0.00 0.66 -1.05 0.00 0.00 178.16 178.06 1vac n TYR 85 N -4.53 0.35 -3.59 4.88 4.01 -0.31 -4.81 117.16 113.16 1vac n TYR 85 Ca 0.16 -0.18 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1vac n TYR 85 Cb 0.49 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.59 1vac n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1vac n ASN 86 N 1.35 -4.43 -4.90 7.72 3.02 0.34 -4.97 115.26 113.39 1vac n ASN 86 Ca 0.18 -0.62 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 1vac n ASN 86 Cb 0.58 -4.86 -0.05 0.00 -0.61 0.00 0.00 39.78 34.85 1vac n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1vac s GLN 87 N -6.03 3.50 0.70 3.52 -0.21 0.85 -5.02 119.66 116.98 1vac s GLN 87 Ca 0.37 -0.25 -0.13 0.00 0.02 0.00 0.00 55.36 55.37 1vac s GLN 87 Cb -0.17 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.82 1vac s GLN 87 CO 0.75 0.62 1.09 -1.12 -2.12 0.00 0.00 175.29 174.50 1vac s SER 88 N -2.10 5.03 0.00 5.90 0.01 -1.26 -4.74 113.70 116.54 1vac s SER 88 Ca 0.31 1.84 0.29 0.00 1.31 0.00 0.00 55.95 59.70 1vac s SER 88 Cb -0.13 -2.53 1.40 0.00 0.21 0.00 0.00 66.02 64.97 1vac s SER 88 CO 0.21 -1.68 1.98 2.29 0.41 0.00 0.00 173.24 176.45 1vac n LYS 89 N -2.91 0.32 -0.03 12.44 2.85 -1.26 -4.12 118.16 125.45 1vac n LYS 89 Ca 0.09 0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.23 1vac n LYS 89 Cb 0.53 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.30 1vac n LYS 89 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1vac h GLY 90 N 4.77 0.08 -1.37 2.58 0.00 -1.96 -3.44 103.07 103.72 1vac h GLY 90 Ca 0.00 -0.12 -0.49 0.00 0.00 0.00 0.00 47.33 46.71 1vac h GLY 90 CO 0.00 0.11 -0.12 0.61 0.00 0.00 0.00 176.54 177.14 1vac n GLY 91 N 0.78 -1.36 3.90 4.60 0.00 -1.26 -4.56 105.19 107.30 1vac n GLY 91 Ca -0.09 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1vac n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vac s SER 92 N -2.38 6.43 0.04 1.61 0.15 -1.26 -4.53 113.70 113.75 1vac s SER 92 Ca 0.64 0.43 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1vac s SER 92 Cb -0.22 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1vac s SER 92 CO 0.63 0.19 -0.03 -1.00 1.20 0.00 0.00 173.24 174.22 1vac s HIS 93 N -1.45 0.42 -0.04 3.44 3.76 -1.26 -4.96 115.29 115.20 1vac s HIS 93 Ca 0.33 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1vac s HIS 93 Cb -0.13 -0.31 0.01 0.00 1.11 0.00 0.00 32.58 33.26 1vac s HIS 93 CO 0.22 -0.30 -0.10 0.99 -0.85 0.00 0.00 174.74 174.70 1vac s THR 94 N -2.93 0.89 -0.10 1.30 2.01 -1.26 -1.00 115.64 114.55 1vac s THR 94 Ca -0.02 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1vac s THR 94 Cb 0.01 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1vac s THR 94 CO -0.06 0.28 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.34 1vac s ILE 95 N 0.40 2.59 0.08 1.82 1.01 -0.26 -0.10 121.20 126.74 1vac s ILE 95 Ca -0.07 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.81 1vac s ILE 95 Cb -0.12 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1vac s ILE 95 CO 0.01 0.55 -0.19 -1.10 0.00 0.00 0.00 174.94 174.22 1vac s GLN 96 N 0.18 1.09 -0.04 2.79 -0.21 -0.65 -1.71 119.66 121.11 1vac s GLN 96 Ca -0.11 -1.02 -0.03 0.00 0.02 0.00 0.00 55.36 54.23 1vac s GLN 96 Cb -0.16 -1.23 0.02 0.00 1.00 0.00 0.00 33.01 32.64 1vac s GLN 96 CO 0.06 0.29 0.10 0.08 -2.12 0.00 0.00 175.29 173.70 1vac s VAL 97 N -1.07 -0.02 -0.16 1.09 1.01 -0.89 -1.14 120.40 119.23 1vac s VAL 97 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1vac s VAL 97 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 1vac s VAL 97 CO 0.03 0.03 -0.10 -0.63 0.00 0.00 0.00 175.10 174.43 1vac s ILE 98 N 0.44 3.16 -0.02 2.22 1.01 -0.67 -1.53 121.20 125.81 1vac s ILE 98 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1vac s ILE 98 Cb -0.05 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 40.08 1vac s ILE 98 CO -0.02 0.49 0.02 -0.55 0.00 0.00 0.00 174.94 174.88 1vac s SER 99 N 0.71 0.22 0.00 3.58 0.15 -0.76 -1.85 113.70 115.75 1vac s SER 99 Ca -0.05 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1vac s SER 99 Cb -0.15 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1vac s SER 99 CO 0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1vac n GLY 100 N 4.14 -1.40 3.25 9.45 0.00 -0.61 0.04 105.19 120.06 1vac n GLY 100 Ca -0.27 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1vac n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vac s GLU 102 N -0.16 3.34 -0.01 0.00 2.02 0.45 -0.92 118.70 123.42 1vac s GLU 102 Ca -0.03 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.33 1vac s GLU 102 Cb -0.03 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 1vac s GLU 102 CO 0.01 0.22 -0.22 0.14 0.02 0.00 0.00 175.26 175.44 1vac s VAL 103 N 0.32 2.42 0.19 2.63 -7.23 -0.15 -0.05 120.40 118.52 1vac s VAL 103 Ca -0.11 -1.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 1vac s VAL 103 Cb -0.16 -1.91 0.04 0.00 0.56 0.00 0.00 36.38 34.92 1vac s VAL 103 CO 0.06 0.52 0.22 0.61 -0.31 0.00 0.00 175.10 176.20 1vac n GLY 104 N 2.20 -1.60 0.34 2.32 0.00 -0.44 -1.60 105.19 106.42 1vac n GLY 104 Ca -0.16 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 1vac n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vac h SER 105 N -0.62 1.00 1.01 1.61 0.02 -1.90 -2.39 113.55 112.28 1vac h SER 105 Ca -0.08 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1vac h SER 105 Cb 0.21 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1vac h SER 105 CO 0.05 0.84 0.00 -2.24 -1.14 0.00 0.00 176.83 174.34 1vac h ASP 106 N 1.10 0.00 0.00 3.07 3.04 -1.94 -3.47 116.42 118.22 1vac h ASP 106 Ca 0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.06 1vac h ASP 106 Cb 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 1vac h ASP 106 CO -0.04 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 1vac n GLY 107 N 0.45 0.96 3.86 7.15 0.00 -0.90 -5.08 105.19 111.63 1vac n GLY 107 Ca 0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1vac n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vac s ARG 108 N -0.78 3.70 0.01 1.61 0.52 -1.26 -4.84 118.95 117.92 1vac s ARG 108 Ca 0.00 0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 1vac s ARG 108 Cb 0.00 -3.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 1vac s ARG 108 CO 0.00 0.70 1.97 -1.17 0.02 0.00 0.00 175.30 176.82 1vac s LEU 109 N -1.24 4.35 -0.07 2.53 2.96 -1.26 -1.32 118.68 124.63 1vac s LEU 109 Ca 0.22 2.58 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 1vac s LEU 109 Cb -0.14 -3.53 -0.29 0.00 0.50 0.00 0.00 46.19 42.72 1vac s LEU 109 CO 0.11 -1.12 0.59 -0.07 -1.32 0.00 0.00 176.35 174.54 1vac h LEU 110 N 10.94 0.55 -7.05 -0.68 3.38 -0.79 -3.47 115.31 118.19 1vac h LEU 110 Ca -0.48 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 56.50 1vac h LEU 110 Cb 1.23 -0.18 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 1vac h LEU 110 CO 0.94 1.79 0.09 -0.60 0.09 0.00 0.00 178.44 180.75 1vac s ARG 111 N -2.56 0.82 -0.05 1.13 3.52 -0.88 -4.99 118.95 115.94 1vac s ARG 111 Ca -0.18 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 1vac s ARG 111 Cb 0.05 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.85 1vac s ARG 111 CO 0.82 -0.13 -0.14 0.20 -0.81 0.00 0.00 175.30 175.24 1vac s GLY 112 N 0.11 0.82 0.05 8.12 0.00 -1.26 -0.41 107.32 114.74 1vac s GLY 112 Ca -0.02 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.20 1vac s GLY 112 CO 0.02 -0.18 -0.13 -2.52 0.00 0.00 0.00 173.10 170.29 1vac s TYR 113 N 0.24 1.13 -0.37 1.90 -0.85 -0.12 -4.92 117.35 114.36 1vac s TYR 113 Ca -0.07 -0.39 0.06 0.00 -0.52 0.00 0.00 57.07 56.15 1vac s TYR 113 Cb -0.12 -0.66 0.18 0.00 0.38 0.00 0.00 41.96 41.73 1vac s TYR 113 CO 0.02 0.03 0.55 -1.14 -1.52 0.00 0.00 175.55 173.49 1vac s GLN 114 N -1.32 0.70 0.00 -3.49 2.00 -1.24 -1.58 119.66 114.73 1vac s GLN 114 Ca -0.01 -0.23 0.06 0.00 -2.00 0.00 0.00 55.36 53.18 1vac s GLN 114 Cb -0.08 -0.10 -0.02 0.00 0.80 0.00 0.00 33.01 33.61 1vac s GLN 114 CO 0.01 -1.15 -0.18 1.14 -0.50 0.00 0.00 175.29 174.61 1vac s GLN 115 N 1.97 1.39 0.15 1.67 -2.07 -0.77 -1.29 119.66 120.72 1vac s GLN 115 Ca 0.15 -0.72 0.08 0.00 -1.82 0.00 0.00 55.36 53.05 1vac s GLN 115 Cb -0.08 -1.38 -0.04 0.00 -1.09 0.00 0.00 33.01 30.41 1vac s GLN 115 CO -0.11 0.37 -0.10 0.71 -1.32 0.00 0.00 175.29 174.84 1vac s TYR 116 N -0.54 2.66 0.01 9.60 1.51 0.14 -1.66 117.35 129.07 1vac s TYR 116 Ca 0.07 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1vac s TYR 116 Cb -0.07 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1vac s TYR 116 CO 0.00 0.47 0.09 0.00 -1.11 0.00 0.00 175.55 175.00 1vac s ALA 117 N -1.50 -0.18 -0.06 3.71 0.00 -0.29 -0.71 121.76 122.73 1vac s ALA 117 Ca 0.23 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1vac s ALA 117 Cb -0.10 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1vac s ALA 117 CO 0.14 -0.20 -0.08 -0.47 0.00 0.00 0.00 175.76 175.15 1vac s TYR 118 N -1.49 1.10 -1.55 0.00 5.04 0.08 -1.63 117.35 118.91 1vac s TYR 118 Ca -0.15 -0.39 -0.11 0.00 -2.44 0.00 0.00 57.07 53.99 1vac s TYR 118 Cb -0.08 -0.88 0.08 0.00 0.35 0.00 0.00 41.96 41.43 1vac s TYR 118 CO 0.01 -0.25 0.72 -0.25 -1.34 0.00 0.00 175.55 174.43 1vac n ASP 119 N 4.04 -2.65 0.00 4.32 8.00 0.85 -1.02 116.55 130.09 1vac n ASP 119 Ca -0.23 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1vac n ASP 119 Cb 0.51 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1vac n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vac n GLY 120 N -1.66 1.31 3.54 0.44 0.00 -1.26 -5.02 105.19 102.55 1vac n GLY 120 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1vac n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vac n ASP 122 N 1.50 2.18 0.02 0.00 8.00 -1.26 -0.74 116.55 126.25 1vac n ASP 122 Ca -0.15 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.51 1vac n ASP 122 Cb 0.52 -1.38 -0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1vac n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vac n TYR 123 N 0.86 0.00 -3.65 1.24 9.36 0.11 -4.68 117.16 120.41 1vac n TYR 123 Ca 0.09 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.16 1vac n TYR 123 Cb 0.32 -0.06 -0.07 0.00 -0.63 0.00 0.00 39.34 38.90 1vac n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1vac s ILE 124 N -1.85 0.03 -0.09 2.97 2.07 -1.16 -0.47 121.20 122.71 1vac s ILE 124 Ca -0.03 -0.24 -0.15 0.00 -1.41 0.00 0.00 60.65 58.81 1vac s ILE 124 Cb 0.00 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.83 1vac s ILE 124 CO 0.05 -0.13 0.37 0.00 -1.91 0.00 0.00 174.94 173.32 1vac s ALA 125 N -1.25 -0.93 0.28 1.50 0.00 -0.63 0.23 121.76 120.97 1vac s ALA 125 Ca -0.12 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 1vac s ALA 125 Cb -0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.69 1vac s ALA 125 CO 0.07 -0.22 1.10 -1.17 0.00 0.00 0.00 175.76 175.53 1vac s LEU 126 N -0.49 4.55 0.70 0.00 2.96 -0.41 -0.83 118.68 125.15 1vac s LEU 126 Ca -0.06 2.26 -0.07 0.00 -0.22 0.00 0.00 54.13 56.04 1vac s LEU 126 Cb -0.04 -3.64 0.06 0.00 0.50 0.00 0.00 46.19 43.08 1vac s LEU 126 CO 0.03 -0.15 1.02 0.20 -1.32 0.00 0.00 176.35 176.13 1vac s ASN 127 N -0.90 4.84 0.28 3.68 0.01 0.11 -4.73 114.94 118.23 1vac s ASN 127 Ca 0.45 0.48 0.02 0.00 -0.71 0.00 0.00 52.86 53.09 1vac s ASN 127 Cb -0.32 -1.14 0.67 0.00 0.41 0.00 0.00 41.25 40.88 1vac s ASN 127 CO 0.41 -1.59 1.70 -0.33 -1.51 0.00 0.00 177.10 175.78 1vac h GLU 128 N -0.60 0.39 0.00 -0.60 4.39 -1.91 0.37 114.58 116.62 1vac h GLU 128 Ca -0.44 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1vac h GLU 128 Cb 1.31 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1vac h GLU 128 CO 0.60 0.26 0.00 -0.40 -1.16 0.00 0.00 179.01 178.31 1vac n ASP 129 N -5.04 0.40 -2.69 1.42 5.68 -1.26 -4.86 116.55 110.20 1vac n ASP 129 Ca 0.20 0.63 -0.22 0.00 -0.50 0.00 0.00 54.79 54.91 1vac n ASP 129 Cb 0.60 -0.70 0.01 0.00 -1.14 0.00 0.00 41.12 39.90 1vac n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1vac n LEU 130 N -1.98 -2.34 0.00 -2.12 4.77 0.12 -4.78 117.00 110.67 1vac n LEU 130 Ca 0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1vac n LEU 130 Cb 0.14 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 1vac n LEU 130 CO 0.13 0.02 -0.06 0.29 -1.33 0.00 0.00 177.39 176.44 1vac n LYS 131 N -3.52 0.39 -4.35 3.23 5.02 -1.26 -4.62 118.16 113.05 1vac n LYS 131 Ca -0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.88 1vac n LYS 131 Cb 0.65 -0.56 -0.08 0.00 -0.02 0.00 0.00 35.03 35.02 1vac n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1vac s THR 132 N -1.12 3.06 0.13 -0.18 -4.23 -1.26 -4.82 115.64 107.21 1vac s THR 132 Ca 0.00 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 1vac s THR 132 Cb 0.00 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1vac s THR 132 CO 0.00 -0.35 -0.13 0.26 -0.54 0.00 0.00 174.62 173.86 1vac s TRP 133 N -2.41 2.63 -0.21 3.99 0.52 -1.26 -0.71 118.94 121.49 1vac s TRP 133 Ca 0.32 -0.22 -0.00 0.00 0.02 0.00 0.00 56.10 56.22 1vac s TRP 133 Cb -0.05 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 1vac s TRP 133 CO 0.19 0.44 -0.13 0.99 0.02 0.00 0.00 176.95 178.45 1vac s THR 134 N -1.34 2.48 -0.09 2.01 2.01 -0.01 -4.91 115.64 115.78 1vac s THR 134 Ca 0.21 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 1vac s THR 134 Cb -0.10 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1vac s THR 134 CO 0.13 0.37 0.33 0.00 -0.69 0.00 0.00 174.62 174.75 1vac s ALA 135 N 1.30 3.66 -0.11 7.40 0.00 -1.26 -1.61 121.76 131.15 1vac s ALA 135 Ca 0.02 -0.37 0.14 0.00 0.00 0.00 0.00 51.96 51.75 1vac s ALA 135 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1vac s ALA 135 CO -0.08 0.30 1.30 0.00 0.00 0.00 0.00 175.76 177.27 1vac h ALA 136 N 5.73 0.62 -2.81 0.00 0.00 -1.04 -3.48 119.26 118.28 1vac h ALA 136 Ca -0.47 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 53.77 1vac h ALA 136 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1vac h ALA 136 CO 0.68 0.78 0.01 -0.40 0.00 0.00 0.00 179.25 180.32 1vac n ASP 137 N -3.18 -0.64 -0.13 0.00 5.75 -1.26 -5.03 116.55 112.06 1vac n ASP 137 Ca -0.01 -1.66 -0.04 0.00 -0.01 0.00 0.00 54.79 53.08 1vac n ASP 137 Cb 0.79 1.13 0.04 0.00 -1.03 0.00 0.00 41.12 42.05 1vac n ASP 137 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1vac h MET 138 N 0.00 0.23 -0.43 0.11 2.86 -1.98 -2.64 114.93 113.08 1vac h MET 138 Ca -0.11 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1vac h MET 138 Cb 0.45 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1vac h MET 138 CO 0.14 0.15 0.16 0.00 1.06 0.00 0.00 176.91 178.43 1vac h ALA 139 N 1.33 0.56 -0.69 6.32 0.00 -1.97 -2.78 119.26 122.03 1vac h ALA 139 Ca 0.21 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1vac h ALA 139 Cb 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1vac h ALA 139 CO -0.27 0.18 0.46 0.00 0.00 0.00 0.00 179.25 179.62 1vac h ALA 140 N 1.01 1.96 -0.71 0.00 0.00 -1.77 -0.68 119.26 119.08 1vac h ALA 140 Ca 0.14 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1vac h ALA 140 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1vac h ALA 140 CO -0.01 -0.12 0.48 -0.07 0.00 0.00 0.00 179.25 179.52 1vac h LEU 141 N 0.50 0.35 -0.14 0.00 3.38 -1.18 0.56 115.31 118.79 1vac h LEU 141 Ca 0.32 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1vac h LEU 141 Cb 0.58 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1vac h LEU 141 CO -0.10 0.19 0.01 0.40 0.09 0.00 0.00 178.44 179.03 1vac h ILE 142 N 0.38 1.23 -0.76 1.22 2.04 -1.22 -1.83 117.51 118.57 1vac h ILE 142 Ca 0.34 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1vac h ILE 142 Cb 0.81 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1vac h ILE 142 CO -0.10 0.22 0.36 0.74 0.00 0.00 0.00 178.15 179.37 1vac h THR 143 N -0.01 1.24 -0.59 -0.27 2.02 -1.23 -1.85 112.91 112.22 1vac h THR 143 Ca 0.04 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.61 1vac h THR 143 Cb 0.32 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 1vac h THR 143 CO 0.00 0.29 0.26 0.50 0.37 0.00 0.00 175.52 176.95 1vac h LYS 144 N 1.06 0.47 -0.38 6.66 3.64 -0.74 0.20 116.57 127.48 1vac h LYS 144 Ca 0.26 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1vac h LYS 144 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1vac h LYS 144 CO -0.03 0.31 -0.00 0.45 -2.27 0.00 0.00 179.45 177.91 1vac h HIS 145 N 0.48 0.74 -0.61 1.91 3.86 -1.02 0.21 115.15 120.72 1vac h HIS 145 Ca 0.28 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1vac h HIS 145 Cb 0.28 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1vac h HIS 145 CO -0.13 0.76 0.41 -0.22 0.86 0.00 0.00 177.93 179.61 1vac h LYS 146 N 0.50 0.79 0.11 2.45 3.64 -0.50 -0.03 116.57 123.53 1vac h LYS 146 Ca 0.11 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.17 1vac h LYS 146 Cb 0.47 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1vac h LYS 146 CO 0.02 0.52 -1.19 -1.49 -2.27 0.00 0.00 179.45 175.04 1vac h TRP 147 N 0.82 0.55 -0.24 1.91 4.06 -0.35 -2.74 115.95 119.95 1vac h TRP 147 Ca 0.23 -0.38 -0.05 0.00 2.06 0.00 0.00 58.89 60.75 1vac h TRP 147 Cb -0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 1vac h TRP 147 CO -0.00 1.27 -0.05 0.93 -3.56 0.00 0.00 178.44 177.03 1vac h GLU 148 N 0.11 0.46 0.00 0.49 5.08 -0.60 -1.71 114.58 118.41 1vac h GLU 148 Ca -0.13 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1vac h GLU 148 Cb 1.90 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1vac h GLU 148 CO 0.20 0.68 0.00 0.37 -1.00 0.00 0.00 179.01 179.26 1vac h GLN 149 N 0.21 0.00 -0.00 2.33 4.15 -1.06 -2.09 115.11 118.64 1vac h GLN 149 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1vac h GLN 149 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1vac h GLN 149 CO 0.02 0.00 -0.62 0.00 -1.93 0.00 0.00 178.83 176.30 1vac n ALA 150 N -1.83 3.78 -3.02 3.38 0.00 -0.99 -4.98 120.51 116.85 1vac n ALA 150 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 1vac n ALA 150 Cb 0.11 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 19.05 1vac n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vac n GLY 151 N 1.30 -0.08 0.30 0.00 0.00 -0.71 -4.92 105.19 101.07 1vac n GLY 151 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1vac n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vac h GLU 152 N -1.41 0.97 -0.12 1.61 4.57 -1.64 -2.75 114.58 115.82 1vac h GLU 152 Ca -0.37 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 57.54 1vac h GLU 152 Cb 1.25 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1vac h GLU 152 CO 0.38 0.97 0.09 0.00 -1.18 0.00 0.00 179.01 179.26 1vac h ALA 153 N 1.08 2.11 0.08 2.92 0.00 -1.88 -1.09 119.26 122.48 1vac h ALA 153 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1vac h ALA 153 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vac h ALA 153 CO 0.03 -0.15 -0.04 1.49 0.00 0.00 0.00 179.25 180.59 1vac h GLU 154 N 0.00 -0.10 -0.70 0.00 4.81 -1.77 -0.11 114.58 116.71 1vac h GLU 154 Ca 0.06 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1vac h GLU 154 Cb 0.23 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 1vac h GLU 154 CO -0.00 0.32 0.29 -0.09 -0.73 0.00 0.00 179.01 178.80 1vac h ARG 155 N -0.55 0.46 -0.29 1.92 2.43 -1.24 0.02 114.38 117.13 1vac h ARG 155 Ca -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1vac h ARG 155 Cb 0.47 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1vac h ARG 155 CO 0.02 0.30 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.52 1vac h LEU 156 N 0.47 0.67 -1.28 3.80 3.38 -1.21 -2.21 115.31 118.93 1vac h LEU 156 Ca 0.37 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1vac h LEU 156 Cb 0.50 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1vac h LEU 156 CO -0.35 0.96 0.54 -0.09 0.09 0.00 0.00 178.44 179.60 1vac h ARG 157 N 0.39 0.78 -0.33 1.13 2.43 0.02 0.23 114.38 119.02 1vac h ARG 157 Ca 0.06 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1vac h ARG 157 Cb 0.73 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1vac h ARG 157 CO 0.05 0.52 -0.10 0.00 -1.51 0.00 0.00 179.97 178.93 1vac h ALA 158 N 1.58 0.46 0.31 2.80 0.00 -0.79 -2.03 119.26 121.58 1vac h ALA 158 Ca 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1vac h ALA 158 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1vac h ALA 158 CO -0.15 0.31 -0.15 -0.92 0.00 0.00 0.00 179.25 178.34 1vac h TYR 159 N 0.43 -0.38 -0.20 0.00 3.20 -0.61 0.61 116.97 120.02 1vac h TYR 159 Ca 0.08 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1vac h TYR 159 Cb 0.61 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1vac h TYR 159 CO 0.05 -0.09 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.35 1vac h LEU 160 N -0.66 -0.22 0.00 2.82 3.38 -0.61 0.12 115.31 120.14 1vac h LEU 160 Ca -0.04 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1vac h LEU 160 Cb 0.46 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1vac h LEU 160 CO 0.07 -0.08 -0.52 -0.33 0.09 0.00 0.00 178.44 177.67 1vac h GLU 161 N -0.02 0.00 0.00 1.13 5.08 -1.45 -3.31 114.58 116.01 1vac h GLU 161 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1vac h GLU 161 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1vac h GLU 161 CO -0.21 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 1vac n GLY 162 N 1.22 -0.19 0.27 -3.84 0.00 0.21 -4.56 105.19 98.30 1vac n GLY 162 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1vac n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1vac h THR 163 N 0.00 0.37 0.00 2.61 2.02 -1.52 -1.40 112.91 114.99 1vac h THR 163 Ca 0.00 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1vac h THR 163 Cb 0.00 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1vac h THR 163 CO 0.00 0.02 -0.10 0.00 0.37 0.00 0.00 175.52 175.82 1vac h VAL 165 N -0.17 1.22 -0.33 0.00 2.07 -1.42 -1.06 116.25 116.57 1vac h VAL 165 Ca 0.04 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1vac h VAL 165 Cb 0.21 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1vac h VAL 165 CO -0.10 0.27 -0.08 -0.33 0.02 0.00 0.00 177.57 177.35 1vac h GLU 166 N 0.94 0.64 -0.53 1.57 5.08 -0.97 -2.54 114.58 118.77 1vac h GLU 166 Ca 0.23 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1vac h GLU 166 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1vac h GLU 166 CO -0.02 0.81 -0.14 -1.49 -1.00 0.00 0.00 179.01 177.17 1vac h TRP 167 N 0.42 1.15 -0.93 4.33 4.06 -1.12 -1.88 115.95 121.97 1vac h TRP 167 Ca 0.08 -0.25 0.05 0.00 2.06 0.00 0.00 58.89 60.83 1vac h TRP 167 Cb 0.58 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 1vac h TRP 167 CO 0.05 1.08 0.61 1.25 -3.56 0.00 0.00 178.44 177.87 1vac h LEU 168 N 0.90 0.98 -0.66 -4.49 5.85 -1.15 0.13 115.31 116.87 1vac h LEU 168 Ca 0.13 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1vac h LEU 168 Cb 0.71 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1vac h LEU 168 CO 0.05 0.65 0.24 0.03 -0.34 0.00 0.00 178.44 179.08 1vac h ARG 169 N 1.12 1.00 -0.56 1.25 3.08 -1.04 0.03 114.38 119.27 1vac h ARG 169 Ca 0.39 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1vac h ARG 169 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1vac h ARG 169 CO -0.13 0.85 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.51 1vac h ARG 170 N 0.94 0.98 0.18 0.04 2.43 -0.50 -2.12 114.38 116.34 1vac h ARG 170 Ca 0.22 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1vac h ARG 170 Cb 0.24 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1vac h ARG 170 CO -0.01 0.98 -0.09 1.88 -1.51 0.00 0.00 179.97 181.22 1vac h TYR 171 N 0.90 -0.23 -0.45 2.20 0.05 -0.64 0.25 116.97 119.06 1vac h TYR 171 Ca 0.16 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.03 1vac h TYR 171 Cb 0.56 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 1vac h TYR 171 CO 0.04 0.12 0.31 -0.07 -1.05 0.00 0.00 178.16 177.51 1vac h LEU 172 N -0.61 0.17 0.24 3.88 3.38 -1.03 0.64 115.31 121.98 1vac h LEU 172 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1vac h LEU 172 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1vac h LEU 172 CO 0.04 0.10 -0.12 0.50 0.09 0.00 0.00 178.44 179.06 1vac h LYS 173 N 0.19 -0.32 0.00 1.13 3.64 -1.16 -0.13 116.57 119.92 1vac h LYS 173 Ca 0.21 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1vac h LYS 173 Cb 0.57 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1vac h LYS 173 CO -0.03 0.05 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.21 1vac h ASN 174 N -0.84 0.00 -0.02 4.20 4.21 -0.26 -3.16 115.58 119.71 1vac h ASN 174 Ca -0.03 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.40 1vac h ASN 174 Cb 0.51 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 37.56 1vac h ASN 174 CO 0.06 0.08 -0.71 0.61 -1.29 0.00 0.00 177.43 176.17 1vac n GLY 175 N -0.98 3.62 0.35 2.83 0.00 0.16 -4.86 105.19 106.30 1vac n GLY 175 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 44.86 1vac n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1vac h ASN 176 N 1.05 0.90 -0.42 1.61 -1.07 -0.98 0.18 115.58 116.86 1vac h ASN 176 Ca -0.08 0.03 0.08 0.00 0.07 0.00 0.00 56.30 56.40 1vac h ASN 176 Cb 1.34 -0.16 -0.02 0.00 -2.07 0.00 0.00 38.32 37.41 1vac h ASN 176 CO 0.05 0.55 0.29 0.00 0.07 0.00 0.00 177.43 178.39 1vac h ALA 177 N 1.46 2.12 0.00 4.14 0.00 -1.87 0.16 119.26 125.27 1vac h ALA 177 Ca 0.43 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.05 1vac h ALA 177 Cb 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1vac h ALA 177 CO -0.21 -0.22 -1.65 2.41 0.00 0.00 0.00 179.25 179.58 1vac n THR 178 N -4.46 1.52 0.16 0.00 -1.04 -0.69 -4.14 114.28 105.63 1vac n THR 178 Ca 0.06 -0.12 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 1vac n THR 178 Cb 0.34 -2.04 0.31 0.00 -1.82 0.00 0.00 70.33 67.12 1vac n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1vac h LEU 179 N -1.00 0.05 -2.41 -4.42 3.38 -0.64 -3.03 115.31 107.23 1vac h LEU 179 Ca -0.42 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1vac h LEU 179 Cb 1.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1vac h LEU 179 CO -0.25 0.45 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1vac n LEU 180 N -4.06 3.52 -4.80 1.67 4.77 0.54 -4.95 117.00 113.69 1vac n LEU 180 Ca -0.02 -1.73 -0.30 0.00 -0.03 0.00 0.00 56.01 53.93 1vac n LEU 180 Cb 0.44 -0.42 0.22 0.00 -2.33 0.00 0.00 43.42 41.34 1vac n LEU 180 CO 0.40 0.86 0.79 0.00 -1.33 0.00 0.00 177.39 178.12 1vac s ARG 181 N -1.17 -0.36 -0.26 3.23 1.70 -1.15 -5.02 118.95 115.93 1vac s ARG 181 Ca 0.44 -0.40 -0.04 0.00 -0.47 0.00 0.00 55.73 55.25 1vac s ARG 181 Cb 0.23 -1.73 0.14 0.00 -0.57 0.00 0.00 34.95 33.02 1vac s ARG 181 CO 0.30 -3.08 0.49 0.99 -1.08 0.00 0.00 175.30 172.92 1vac s THR 182 N -3.61 -0.79 -0.27 4.99 2.01 -1.26 -4.62 115.64 112.09 1vac s THR 182 Ca 0.75 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 1vac s THR 182 Cb -0.04 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1vac s THR 182 CO 0.54 -0.02 0.16 -1.81 -0.69 0.00 0.00 174.62 172.80 1vac s ASP 183 N 2.71 5.81 0.37 3.53 1.01 0.38 -4.92 116.67 125.56 1vac s ASP 183 Ca 0.09 -0.05 -0.25 0.00 0.71 0.00 0.00 52.55 53.04 1vac s ASP 183 Cb -0.14 -2.07 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 1vac s ASP 183 CO -0.17 -0.04 1.06 -0.44 0.21 0.00 0.00 175.17 175.79 1vac s SER 184 N 1.71 6.87 0.50 0.27 0.01 -1.26 -1.44 113.70 120.37 1vac s SER 184 Ca 0.07 2.10 -0.19 0.00 1.31 0.00 0.00 55.95 59.24 1vac s SER 184 Cb -0.16 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.40 1vac s SER 184 CO 0.09 -0.42 1.02 -2.16 0.41 0.00 0.00 173.24 172.19 1vac s PRO 185 N -2.23 3.78 -0.21 12.44 0.04 -1.26 -4.44 135.00 143.11 1vac s PRO 185 Ca 0.55 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1vac s PRO 185 Cb -0.25 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1vac s PRO 185 CO 0.31 -0.43 -0.04 0.15 0.04 0.00 0.00 177.00 177.03 1vac s LYS 186 N -3.52 3.41 0.23 4.56 1.02 -0.09 -4.87 119.74 120.49 1vac s LYS 186 Ca 0.65 -0.61 0.09 0.00 0.02 0.00 0.00 55.97 56.11 1vac s LYS 186 Cb -0.14 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1vac s LYS 186 CO 0.24 -0.15 -0.01 0.00 -0.92 0.00 0.00 175.35 174.50 1vac s ALA 187 N 1.37 3.14 -0.07 5.17 0.00 -1.25 -0.52 121.76 129.60 1vac s ALA 187 Ca 0.04 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.14 1vac s ALA 187 Cb -0.14 -0.82 0.08 0.00 0.00 0.00 0.00 23.12 22.23 1vac s ALA 187 CO -0.02 0.34 0.75 -3.38 0.00 0.00 0.00 175.76 173.45 1vac s HIS 188 N -2.09 -0.60 -0.16 0.00 -3.43 -0.74 -4.97 115.29 103.31 1vac s HIS 188 Ca 0.29 1.01 -0.04 0.00 -0.80 0.00 0.00 55.06 55.53 1vac s HIS 188 Cb -0.07 0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 31.47 1vac s HIS 188 CO 0.19 -0.56 -0.03 0.08 -2.00 0.00 0.00 174.74 172.42 1vac s VAL 189 N -1.21 3.96 0.03 -5.38 1.01 -1.26 -0.85 120.40 116.69 1vac s VAL 189 Ca -0.09 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1vac s VAL 189 Cb -0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1vac s VAL 189 CO 0.08 0.49 0.03 0.42 0.00 0.00 0.00 175.10 176.12 1vac s THR 190 N 0.37 4.33 -0.03 3.92 -4.23 -0.29 -4.92 115.64 114.78 1vac s THR 190 Ca -0.04 -0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1vac s THR 190 Cb -0.14 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1vac s THR 190 CO 0.03 0.28 0.10 -2.28 -0.54 0.00 0.00 174.62 172.21 1vac s HIS 191 N -1.20 3.37 -0.12 3.99 2.46 -1.26 -1.47 115.29 121.06 1vac s HIS 191 Ca 0.23 0.28 -0.07 0.00 0.47 0.00 0.00 55.06 55.97 1vac s HIS 191 Cb -0.12 -1.79 0.05 0.00 -0.13 0.00 0.00 32.58 30.59 1vac s HIS 191 CO 0.14 0.59 0.28 -1.01 -2.47 0.00 0.00 174.74 172.28 1vac s HIS 192 N -1.16 -0.38 0.68 3.88 3.76 -0.38 -4.96 115.29 116.72 1vac s HIS 192 Ca 0.22 0.88 -0.09 0.00 -0.15 0.00 0.00 55.06 55.91 1vac s HIS 192 Cb -0.12 0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.69 1vac s HIS 192 CO 0.12 -0.24 1.03 -1.12 -0.85 0.00 0.00 174.74 173.68 1vac s SER 193 N 1.13 5.36 -0.08 1.40 0.01 -1.26 0.13 113.70 120.39 1vac s SER 193 Ca -0.08 0.90 -0.32 0.00 1.31 0.00 0.00 55.95 57.76 1vac s SER 193 Cb -0.09 -1.73 0.13 0.00 0.21 0.00 0.00 66.02 64.55 1vac s SER 193 CO -0.08 -1.32 1.32 0.00 0.41 0.00 0.00 173.24 173.57 1vac s ARG 194 N -5.24 0.26 0.91 12.44 1.70 -1.16 -4.77 118.95 123.09 1vac s ARG 194 Ca 0.57 -0.13 -0.11 0.00 -0.47 0.00 0.00 55.73 55.58 1vac s ARG 194 Cb -0.11 0.09 0.11 0.00 -0.57 0.00 0.00 34.95 34.47 1vac s ARG 194 CO 0.49 -0.12 0.94 -2.30 -1.08 0.00 0.00 175.30 173.23 1vac n PRO 195 N -0.40 -0.32 -2.86 3.89 -0.02 -1.26 -3.59 135.00 130.44 1vac n PRO 195 Ca -0.06 -0.03 -0.19 0.00 -2.02 0.00 0.00 63.50 61.20 1vac n PRO 195 Cb 0.62 -2.23 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1vac n PRO 195 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1vac n GLU 196 N -3.36 -3.97 -3.84 -0.52 2.13 -1.26 -3.23 120.64 106.59 1vac n GLU 196 Ca 0.11 0.78 -0.25 0.00 0.66 0.00 0.00 57.16 58.45 1vac n GLU 196 Cb 0.52 -5.33 0.00 0.00 0.27 0.00 0.00 31.44 26.90 1vac n GLU 196 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1vac n ASP 197 N -1.81 -1.42 -4.50 4.31 8.00 -1.25 -4.90 116.55 114.99 1vac n ASP 197 Ca -0.10 -0.96 -0.24 0.00 0.71 0.00 0.00 54.79 54.19 1vac n ASP 197 Cb 0.61 -3.35 -0.10 0.00 -0.02 0.00 0.00 41.12 38.25 1vac n ASP 197 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vac s LYS 198 N -6.31 1.72 0.04 -1.24 -0.14 -1.20 -0.97 119.74 111.64 1vac s LYS 198 Ca 0.09 -1.86 -0.02 0.00 -1.36 0.00 0.00 55.97 52.82 1vac s LYS 198 Cb -0.03 -1.58 -0.03 0.00 -1.68 0.00 0.00 37.83 34.51 1vac s LYS 198 CO 0.87 0.16 -0.00 0.14 -0.76 0.00 0.00 175.35 175.75 1vac s VAL 199 N -2.69 0.16 -0.30 3.17 -7.23 0.91 -2.99 120.40 111.43 1vac s VAL 199 Ca 0.31 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 1vac s VAL 199 Cb 0.01 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 36.06 1vac s VAL 199 CO 0.15 -0.73 0.02 -0.89 -0.31 0.00 0.00 175.10 173.34 1vac s THR 200 N -2.75 3.28 -0.24 5.32 2.01 0.12 -0.49 115.64 122.88 1vac s THR 200 Ca -0.04 -1.18 -0.13 0.00 0.31 0.00 0.00 61.69 60.66 1vac s THR 200 Cb -0.01 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1vac s THR 200 CO -0.06 -0.05 0.28 -0.76 -0.69 0.00 0.00 174.62 173.34 1vac s LEU 201 N 1.33 4.10 -0.20 4.42 1.43 -0.54 -1.25 118.68 127.96 1vac s LEU 201 Ca -0.03 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1vac s LEU 201 Cb -0.19 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.77 1vac s LEU 201 CO -0.00 -0.04 -0.18 -0.60 0.23 0.00 0.00 176.35 175.76 1vac s ARG 202 N 1.43 2.83 -0.17 1.70 3.52 -0.54 -1.55 118.95 126.17 1vac s ARG 202 Ca 0.12 -0.94 -0.20 0.00 -0.13 0.00 0.00 55.73 54.58 1vac s ARG 202 Cb -0.15 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1vac s ARG 202 CO 0.07 -0.29 0.61 0.00 -0.81 0.00 0.00 175.30 174.88 1vac s TRP 204 N 1.60 2.80 -0.13 0.00 0.52 -0.03 -1.37 118.94 122.32 1vac s TRP 204 Ca 0.29 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.12 1vac s TRP 204 Cb -0.16 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 1vac s TRP 204 CO 0.11 0.05 -0.22 0.00 0.02 0.00 0.00 176.95 176.91 1vac s ALA 205 N -0.27 2.21 0.09 0.98 0.00 0.06 -1.79 121.76 123.04 1vac s ALA 205 Ca 0.02 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1vac s ALA 205 Cb -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1vac s ALA 205 CO 0.03 -0.01 -0.09 -0.51 0.00 0.00 0.00 175.76 175.18 1vac s LEU 206 N 0.79 2.42 -1.51 0.00 1.43 0.32 -1.46 118.68 120.67 1vac s LEU 206 Ca -0.08 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1vac s LEU 206 Cb -0.16 -0.21 0.01 0.00 0.03 0.00 0.00 46.19 45.86 1vac s LEU 206 CO -0.01 -0.32 0.78 0.61 0.23 0.00 0.00 176.35 177.64 1vac n GLY 207 N 0.48 -0.53 3.81 -3.19 0.00 -0.97 -0.91 105.19 103.88 1vac n GLY 207 Ca -0.16 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1vac n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vac s PHE 208 N -3.23 2.92 -0.28 1.61 -0.12 -1.14 -4.53 117.98 113.21 1vac s PHE 208 Ca 0.39 -0.26 -0.23 0.00 -0.05 0.00 0.00 56.93 56.79 1vac s PHE 208 Cb -0.17 -1.63 0.10 0.00 -0.63 0.00 0.00 43.02 40.69 1vac s PHE 208 CO 0.48 0.32 0.87 -0.47 -0.05 0.00 0.00 175.22 176.37 1vac s TYR 209 N -2.28 -0.68 1.22 3.49 5.04 -0.52 -1.20 117.35 122.42 1vac s TYR 209 Ca 0.38 1.56 -0.20 0.00 -2.44 0.00 0.00 57.07 56.37 1vac s TYR 209 Cb -0.06 0.37 0.29 0.00 0.35 0.00 0.00 41.96 42.91 1vac s TYR 209 CO 0.25 -0.33 1.11 -1.25 -1.34 0.00 0.00 175.55 173.99 1vac s PRO 210 N 0.62 -1.35 0.60 4.97 0.04 -1.26 -0.47 135.00 138.16 1vac s PRO 210 Ca -0.01 -0.10 0.38 0.00 0.04 0.00 0.00 61.00 61.31 1vac s PRO 210 Cb -0.05 -1.58 1.92 0.00 0.04 0.00 0.00 34.50 34.82 1vac s PRO 210 CO -0.07 -3.79 2.20 0.00 0.04 0.00 0.00 177.00 175.38 1vac h ALA 211 N -2.63 1.07 -2.52 8.56 0.00 -1.95 -3.44 119.26 118.34 1vac h ALA 211 Ca -0.44 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 1vac h ALA 211 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1vac h ALA 211 CO 0.33 0.03 0.53 0.34 0.00 0.00 0.00 179.25 180.47 1vac s ASP 212 N -5.54 7.14 0.19 0.00 2.15 -1.26 -4.96 116.67 114.40 1vac s ASP 212 Ca -0.03 2.02 -0.20 0.00 0.43 0.00 0.00 52.55 54.77 1vac s ASP 212 Cb 0.12 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1vac s ASP 212 CO 0.49 -0.40 0.57 -0.51 -0.17 0.00 0.00 175.17 175.15 1vac s ILE 213 N 0.72 0.02 -0.05 4.11 2.07 -1.26 -4.69 121.20 122.11 1vac s ILE 213 Ca 0.56 -0.53 -0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1vac s ILE 213 Cb -0.29 -1.42 0.03 0.00 0.13 0.00 0.00 42.46 40.91 1vac s ILE 213 CO 0.31 -0.07 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.37 1vac s THR 214 N -3.83 0.34 -0.13 4.00 2.01 -0.22 -4.99 115.64 112.81 1vac s THR 214 Ca 0.06 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1vac s THR 214 Cb -0.02 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1vac s THR 214 CO -0.05 0.22 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.12 1vac s LEU 215 N 1.46 2.04 0.03 4.42 1.43 -1.26 -0.43 118.68 126.37 1vac s LEU 215 Ca -0.03 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1vac s LEU 215 Cb -0.13 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1vac s LEU 215 CO -0.03 0.07 -0.06 0.42 0.23 0.00 0.00 176.35 176.98 1vac s THR 216 N 0.84 0.46 -0.02 5.49 -4.23 -0.87 -4.97 115.64 112.33 1vac s THR 216 Ca -0.07 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1vac s THR 216 Cb -0.15 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 1vac s THR 216 CO -0.02 -0.24 0.06 0.26 -0.54 0.00 0.00 174.62 174.14 1vac s TRP 217 N -0.99 3.24 0.03 3.99 0.52 -1.26 -0.49 118.94 123.98 1vac s TRP 217 Ca -0.07 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.27 1vac s TRP 217 Cb -0.07 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1vac s TRP 217 CO 0.00 0.53 -0.08 -0.65 0.02 0.00 0.00 176.95 176.77 1vac s GLN 218 N -1.53 0.55 -1.03 4.98 -0.21 0.67 -1.30 119.66 121.79 1vac s GLN 218 Ca 0.20 -0.57 -0.03 0.00 0.02 0.00 0.00 55.36 54.99 1vac s GLN 218 Cb -0.12 -0.43 0.30 0.00 1.00 0.00 0.00 33.01 33.77 1vac s GLN 218 CO 0.11 0.10 1.39 -0.11 -2.12 0.00 0.00 175.29 174.66 1vac n LEU 219 N 2.03 6.11 -3.64 2.90 7.94 -0.59 -1.83 117.00 129.92 1vac n LEU 219 Ca -0.19 -5.24 -0.24 0.00 -1.11 0.00 0.00 56.01 49.23 1vac n LEU 219 Cb 0.56 -1.21 0.01 0.00 0.53 0.00 0.00 43.42 43.32 1vac n LEU 219 CO 0.23 1.73 -0.06 0.59 -1.11 0.00 0.00 177.39 178.76 1vac n ASN 220 N 1.29 -5.54 0.00 1.96 3.02 -1.24 -3.69 115.26 111.07 1vac n ASN 220 Ca 0.26 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1vac n ASN 220 Cb 0.34 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 1vac n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vac n GLY 221 N -1.73 3.18 3.75 7.41 0.00 -1.26 -5.09 105.19 111.45 1vac n GLY 221 Ca -0.17 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1vac n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vac s GLU 222 N 0.00 4.50 -0.47 1.61 2.12 -1.24 -5.03 118.70 120.19 1vac s GLU 222 Ca 0.00 1.07 -0.23 0.00 0.36 0.00 0.00 54.97 56.17 1vac s GLU 222 Cb 0.00 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 31.08 1vac s GLU 222 CO 0.00 0.36 0.78 -1.21 -0.54 0.00 0.00 175.26 174.65 1vac s GLU 223 N -0.33 3.36 -1.11 4.30 2.02 -1.26 -1.54 118.70 124.13 1vac s GLU 223 Ca 0.37 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.93 1vac s GLU 223 Cb -0.21 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.05 1vac s GLU 223 CO 0.23 -1.17 1.75 -0.51 0.02 0.00 0.00 175.26 175.58 1vac s LEU 224 N 3.30 3.43 -0.15 1.80 1.43 -0.42 -4.77 118.68 123.30 1vac s LEU 224 Ca 0.28 -1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 51.55 1vac s LEU 224 Cb -0.13 -2.58 -0.18 0.00 0.03 0.00 0.00 46.19 43.34 1vac s LEU 224 CO 0.21 -2.03 0.44 0.40 0.23 0.00 0.00 176.35 175.60 1vac h ILE 225 N 6.40 1.14 -0.46 -0.59 2.04 -1.94 -3.33 117.51 120.78 1vac h ILE 225 Ca 0.25 -1.96 0.04 0.00 1.00 0.00 0.00 64.86 64.19 1vac h ILE 225 Cb 0.95 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1vac h ILE 225 CO 1.35 0.39 0.31 -0.61 0.00 0.00 0.00 178.15 179.58 1vac h GLN 226 N -1.00 0.47 -0.83 2.37 4.15 -2.01 -2.84 115.11 115.42 1vac h GLN 226 Ca -0.07 -0.03 -0.54 0.00 0.77 0.00 0.00 58.65 58.78 1vac h GLN 226 Cb 0.83 -0.11 -0.30 0.00 0.21 0.00 0.00 27.48 28.12 1vac h GLN 226 CO -0.04 0.31 0.26 -0.25 -1.93 0.00 0.00 178.83 177.18 1vac n ASP 227 N -4.48 5.62 -3.97 -0.69 9.92 -1.26 -4.94 116.55 116.75 1vac n ASP 227 Ca 0.05 -3.76 -0.21 0.00 -0.53 0.00 0.00 54.79 50.35 1vac n ASP 227 Cb 0.16 -0.74 -0.16 0.00 -0.64 0.00 0.00 41.12 39.74 1vac n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1vac s MET 228 N -3.61 1.01 -0.10 -1.24 1.75 -1.07 -4.53 119.30 111.51 1vac s MET 228 Ca 0.57 -0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 54.71 1vac s MET 228 Cb 0.46 -0.93 -0.04 0.00 2.84 0.00 0.00 34.83 37.16 1vac s MET 228 CO 0.02 0.05 0.06 -2.00 -0.65 0.00 0.00 175.02 172.50 1vac s GLU 229 N 0.44 3.18 0.03 4.11 2.12 0.03 -4.94 118.70 123.68 1vac s GLU 229 Ca -0.07 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 54.70 1vac s GLU 229 Cb -0.11 -2.97 0.07 0.00 0.26 0.00 0.00 34.13 31.38 1vac s GLU 229 CO 0.01 0.74 0.62 -0.48 -0.54 0.00 0.00 175.26 175.60 1vac s LEU 230 N -0.98 -0.48 0.25 2.70 2.34 -1.26 0.59 118.68 121.84 1vac s LEU 230 Ca 0.14 0.40 0.03 0.00 0.06 0.00 0.00 54.13 54.76 1vac s LEU 230 Cb -0.12 2.44 -0.03 0.00 -0.56 0.00 0.00 46.19 47.92 1vac s LEU 230 CO 0.03 -0.73 0.40 0.68 -1.06 0.00 0.00 176.35 175.68 1vac s VAL 231 N -2.15 5.22 0.37 1.48 -7.23 -1.10 -5.03 120.40 111.97 1vac s VAL 231 Ca -0.07 -0.79 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 1vac s VAL 231 Cb -0.01 -3.84 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 1vac s VAL 231 CO 0.01 -0.35 1.22 -1.61 -0.31 0.00 0.00 175.10 174.07 1vac s GLU 232 N -3.94 4.19 0.26 4.82 2.02 -1.26 -4.63 118.70 120.16 1vac s GLU 232 Ca 0.36 2.00 -0.30 0.00 0.02 0.00 0.00 54.97 57.05 1vac s GLU 232 Cb -0.09 -2.86 -0.14 0.00 0.10 0.00 0.00 34.13 31.14 1vac s GLU 232 CO 0.31 -0.26 1.24 2.41 0.02 0.00 0.00 175.26 178.98 1vac n THR 233 N 0.41 1.40 -4.12 3.63 -1.04 -1.26 -4.91 114.28 108.39 1vac n THR 233 Ca 0.02 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.05 61.53 1vac n THR 233 Cb 0.44 -1.26 -0.12 0.00 -1.82 0.00 0.00 70.33 67.57 1vac n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vac s ARG 234 N -0.97 0.61 0.42 -2.82 1.70 -0.71 -4.98 118.95 112.20 1vac s ARG 234 Ca 0.64 -0.74 -0.25 0.00 -0.47 0.00 0.00 55.73 54.92 1vac s ARG 234 Cb -0.68 -0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 33.15 1vac s ARG 234 CO 0.55 0.10 1.23 -1.25 -1.08 0.00 0.00 175.30 174.85 1vac s PRO 235 N -1.41 3.92 -0.22 3.89 0.04 -1.26 -1.05 135.00 138.91 1vac s PRO 235 Ca -0.06 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.10 1vac s PRO 235 Cb -0.09 -2.64 0.57 0.00 0.04 0.00 0.00 34.50 32.39 1vac s PRO 235 CO 0.01 -0.47 1.50 0.00 0.04 0.00 0.00 177.00 178.07 1vac n ALA 236 N -0.06 3.43 0.00 8.56 0.00 -0.65 -4.85 120.51 126.94 1vac n ALA 236 Ca 0.05 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1vac n ALA 236 Cb 0.45 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1vac n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vac n GLY 237 N -0.48 2.98 0.28 0.00 0.00 -1.26 -4.80 105.19 101.92 1vac n GLY 237 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1vac n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vac n ASP 238 N 0.23 2.72 0.00 1.61 5.75 -1.26 -4.96 116.55 120.63 1vac n ASP 238 Ca 0.00 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.83 1vac n ASP 238 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1vac n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vac n GLY 239 N -1.08 0.38 3.67 6.12 0.00 -1.26 -5.08 105.19 107.94 1vac n GLY 239 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1vac n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vac n THR 240 N -2.00 0.00 -4.34 2.61 -2.24 -1.26 -4.91 114.28 102.14 1vac n THR 240 Ca 0.00 -2.11 -0.17 0.00 -2.27 0.00 0.00 64.05 59.50 1vac n THR 240 Cb 0.00 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.10 1vac n THR 240 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1vac s PHE 241 N -2.64 1.58 0.16 4.78 0.40 -0.34 -1.63 117.98 120.29 1vac s PHE 241 Ca 0.29 -0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 55.61 1vac s PHE 241 Cb -0.02 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 1vac s PHE 241 CO 0.19 -0.07 0.21 1.14 0.70 0.00 0.00 175.22 177.39 1vac s GLN 242 N -3.88 1.10 -0.01 0.44 -2.07 -0.21 -2.28 119.66 112.73 1vac s GLN 242 Ca 0.30 -1.29 -0.29 0.00 -1.82 0.00 0.00 55.36 52.25 1vac s GLN 242 Cb 0.06 0.33 0.10 0.00 -1.09 0.00 0.00 33.01 32.41 1vac s GLN 242 CO 0.10 -0.37 0.96 0.21 -1.32 0.00 0.00 175.29 174.86 1vac s LYS 243 N -4.01 0.77 0.01 9.60 2.20 -0.53 -1.74 119.74 126.04 1vac s LYS 243 Ca 0.21 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.33 1vac s LYS 243 Cb 0.05 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.74 1vac s LYS 243 CO 0.02 -0.34 0.38 1.67 -0.36 0.00 0.00 175.35 176.71 1vac s TRP 244 N -3.01 -0.25 -0.03 4.03 1.48 -1.26 -0.76 118.94 119.14 1vac s TRP 244 Ca 0.07 0.31 0.01 0.00 -1.06 0.00 0.00 56.10 55.42 1vac s TRP 244 Cb -0.01 0.16 0.03 0.00 -1.16 0.00 0.00 33.47 32.49 1vac s TRP 244 CO -0.07 -0.48 -0.01 0.00 -4.06 0.00 0.00 176.95 172.33 1vac s ALA 245 N -1.80 0.39 0.31 2.67 0.00 -0.47 -2.70 121.76 120.15 1vac s ALA 245 Ca -0.10 0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.09 1vac s ALA 245 Cb -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1vac s ALA 245 CO 0.02 -0.05 -0.12 -1.54 0.00 0.00 0.00 175.76 174.07 1vac s SER 246 N 0.97 3.81 -0.15 0.00 1.04 0.20 -0.28 113.70 119.30 1vac s SER 246 Ca -0.10 -1.03 -0.13 0.00 0.48 0.00 0.00 55.95 55.16 1vac s SER 246 Cb -0.14 -0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.62 1vac s SER 246 CO -0.01 -0.07 0.38 0.54 0.98 0.00 0.00 173.24 175.06 1vac s VAL 247 N -2.52 -0.00 -0.22 5.02 0.11 -0.60 -0.79 120.40 121.40 1vac s VAL 247 Ca 0.32 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.25 1vac s VAL 247 Cb -0.02 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1vac s VAL 247 CO 0.17 0.01 0.25 -0.69 -3.33 0.00 0.00 175.10 171.50 1vac s VAL 248 N 0.36 5.30 0.18 2.04 1.01 -1.26 -1.47 120.40 126.56 1vac s VAL 248 Ca -0.01 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.42 1vac s VAL 248 Cb -0.03 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1vac s VAL 248 CO -0.01 0.31 -0.15 0.68 0.00 0.00 0.00 175.10 175.93 1vac s VAL 249 N 1.15 1.63 0.24 2.92 -7.23 0.35 -4.91 120.40 114.55 1vac s VAL 249 Ca 0.12 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 1vac s VAL 249 Cb -0.14 -1.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 1vac s VAL 249 CO 0.06 -0.52 1.54 -2.84 -0.31 0.00 0.00 175.10 173.02 1vac s PRO 250 N -3.32 4.20 0.39 4.82 0.02 -1.26 -0.07 135.00 139.78 1vac s PRO 250 Ca 0.18 2.43 -0.26 0.00 0.02 0.00 0.00 61.00 63.37 1vac s PRO 250 Cb -0.02 -3.09 -0.11 0.00 0.02 0.00 0.00 34.50 31.30 1vac s PRO 250 CO 0.05 -0.56 1.26 -0.11 -0.33 0.00 0.00 177.00 177.32 1vac n LEU 251 N 2.78 3.74 0.00 -5.54 7.94 -0.14 -1.83 117.00 123.95 1vac n LEU 251 Ca 0.09 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1vac n LEU 251 Cb 0.38 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.85 1vac n LEU 251 CO 0.62 -0.63 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1vac n GLY 252 N 0.82 2.84 0.69 -3.96 0.00 -1.26 -4.81 105.19 99.50 1vac n GLY 252 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1vac n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vac n LYS 253 N -2.00 2.86 0.19 1.61 5.02 -0.76 -4.66 118.16 120.41 1vac n LYS 253 Ca 0.00 -2.36 0.06 0.00 -2.02 0.00 0.00 58.31 54.00 1vac n LYS 253 Cb 0.00 -1.49 0.56 0.00 -0.02 0.00 0.00 35.03 34.07 1vac n LYS 253 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1vac h GLU 254 N 1.77 0.14 -0.18 1.97 3.07 -1.88 -2.87 114.58 116.60 1vac h GLU 254 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1vac h GLU 254 Cb 1.01 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1vac h GLU 254 CO 0.09 0.13 0.00 0.00 -1.40 0.00 0.00 179.01 177.83 1vac n GLN 255 N -4.48 0.49 0.00 2.33 0.00 -1.26 -1.64 117.38 112.81 1vac n GLN 255 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 57.00 57.05 1vac n GLN 255 Cb 0.11 -1.09 0.01 0.00 0.00 0.00 0.00 30.24 29.27 1vac n GLN 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1vac n TYR 256 N -0.23 0.00 -4.36 2.61 4.02 -1.08 -4.99 117.16 113.13 1vac n TYR 256 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1vac n TYR 256 Cb 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.27 1vac n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1vac s TYR 257 N -1.49 3.17 0.02 -0.72 1.51 -0.65 -3.60 117.35 115.59 1vac s TYR 257 Ca 0.12 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 1vac s TYR 257 Cb 0.10 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1vac s TYR 257 CO 0.29 0.46 -0.14 0.95 -1.11 0.00 0.00 175.55 176.00 1vac s THR 258 N -0.85 1.15 -0.04 -0.71 -4.23 -0.76 -4.59 115.64 105.61 1vac s THR 258 Ca 0.13 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1vac s THR 258 Cb -0.11 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 1vac s THR 258 CO 0.02 0.16 0.06 0.00 -0.54 0.00 0.00 174.62 174.33 1vac s HIS 260 N -1.09 1.75 -0.20 0.00 3.76 0.36 -0.28 115.29 119.59 1vac s HIS 260 Ca 0.19 -0.80 -0.05 0.00 -0.15 0.00 0.00 55.06 54.25 1vac s HIS 260 Cb -0.12 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 1vac s HIS 260 CO 0.10 -0.44 0.00 0.08 -0.85 0.00 0.00 174.74 173.63 1vac s VAL 261 N 1.06 4.04 -0.21 -0.90 1.01 -0.26 -2.05 120.40 123.09 1vac s VAL 261 Ca -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1vac s VAL 261 Cb -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1vac s VAL 261 CO -0.02 0.43 -0.10 -0.31 0.00 0.00 0.00 175.10 175.11 1vac s TYR 262 N 0.89 2.90 -0.11 5.22 2.02 0.43 -1.04 117.35 127.66 1vac s TYR 262 Ca 0.01 -1.23 -0.23 0.00 -0.37 0.00 0.00 57.07 55.25 1vac s TYR 262 Cb -0.14 -2.03 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1vac s TYR 262 CO 0.02 -0.65 0.55 -1.58 -1.57 0.00 0.00 175.55 172.31 1vac s HIS 263 N 1.40 -0.53 -1.07 2.71 2.46 -1.26 -1.05 115.29 117.94 1vac s HIS 263 Ca 0.05 1.08 0.05 0.00 0.47 0.00 0.00 55.06 56.71 1vac s HIS 263 Cb -0.14 0.26 0.23 0.00 -0.13 0.00 0.00 32.58 32.80 1vac s HIS 263 CO -0.07 -0.44 1.14 0.00 -2.47 0.00 0.00 174.74 172.90 1vac n GLN 264 N 1.72 0.01 -0.06 2.88 10.64 -1.26 -2.03 117.38 129.28 1vac n GLN 264 Ca -0.18 0.38 0.12 0.00 -1.83 0.00 0.00 57.00 55.49 1vac n GLN 264 Cb 0.56 -1.50 0.38 0.00 -0.86 0.00 0.00 30.24 28.83 1vac n GLN 264 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1vac n GLY 265 N -0.94 0.40 3.49 2.61 0.00 -1.26 -4.90 105.19 104.59 1vac n GLY 265 Ca 0.01 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1vac n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vac s LEU 266 N -1.73 2.85 0.10 0.99 1.43 -0.86 -4.59 118.68 116.87 1vac s LEU 266 Ca 0.34 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 1vac s LEU 266 Cb 0.19 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 1vac s LEU 266 CO 0.29 0.33 1.68 1.55 0.23 0.00 0.00 176.35 180.43 1vac h PRO 267 N 5.46 0.26 -5.17 1.29 0.13 -1.90 -3.44 132.00 128.64 1vac h PRO 267 Ca -0.45 -0.04 -0.36 0.00 -0.87 0.00 0.00 66.00 64.28 1vac h PRO 267 Cb 1.16 -0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.07 1vac h PRO 267 CO 0.51 0.28 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.62 1vac s GLU 268 N -5.76 0.95 0.78 0.86 8.01 -1.26 -5.14 118.70 117.13 1vac s GLU 268 Ca -0.13 -1.23 -0.13 0.00 0.01 0.00 0.00 54.97 53.49 1vac s GLU 268 Cb 0.07 -0.70 0.07 0.00 -4.31 0.00 0.00 34.13 29.26 1vac s GLU 268 CO 0.70 0.12 1.15 -2.14 0.01 0.00 0.00 175.26 175.10 1vac s PRO 269 N -2.85 1.96 0.28 0.39 0.02 -1.26 -4.99 135.00 128.55 1vac s PRO 269 Ca 0.08 1.54 -0.08 0.00 0.02 0.00 0.00 61.00 62.56 1vac s PRO 269 Cb -0.03 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 1vac s PRO 269 CO 0.01 -1.93 0.59 -0.51 -0.33 0.00 0.00 177.00 174.83 1vac s LEU 270 N -5.65 4.08 -0.07 -5.54 1.43 -0.21 -4.88 118.68 107.84 1vac s LEU 270 Ca 0.69 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1vac s LEU 270 Cb -0.24 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.33 1vac s LEU 270 CO 0.50 -0.17 -0.02 -0.89 0.23 0.00 0.00 176.35 176.00 1vac s THR 271 N -2.00 0.47 0.06 5.49 2.01 -1.25 -1.11 115.64 119.31 1vac s THR 271 Ca 0.47 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.53 1vac s THR 271 Cb -0.11 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1vac s THR 271 CO 0.26 0.25 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.53 1vac s LEU 272 N 1.59 2.23 0.13 4.42 1.02 0.62 -4.92 118.68 123.77 1vac s LEU 272 Ca -0.00 -0.55 0.06 0.00 0.02 0.00 0.00 54.13 53.65 1vac s LEU 272 Cb -0.13 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.40 1vac s LEU 272 CO -0.04 0.01 -0.13 -0.13 0.02 0.00 0.00 176.35 176.08 1vac s ARG 273 N -1.46 1.06 0.00 1.70 0.52 -1.26 0.16 118.95 119.67 1vac s ARG 273 Ca 0.01 -1.32 0.17 0.00 -0.52 0.00 0.00 55.73 54.08 1vac s ARG 273 Cb -0.09 -0.85 1.02 0.00 0.52 0.00 0.00 34.95 35.54 1vac s ARG 273 CO 0.02 0.15 1.42 1.87 0.02 0.00 0.00 175.30 178.78