#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7x s PRO 2 N 0.00 0.69 0.26 1.61 0.04 -1.26 -4.26 135.00 132.08 1s7x s PRO 2 Ca 0.00 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1s7x s PRO 2 Cb 0.00 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1s7x s PRO 2 CO 0.00 -2.59 0.12 -1.01 0.04 0.00 0.00 177.00 173.56 1s7x s HIS 3 N -2.93 1.48 0.04 0.56 3.76 -0.89 -4.91 115.29 112.40 1s7x s HIS 3 Ca 0.65 -1.27 -0.21 0.00 -0.15 0.00 0.00 55.06 54.08 1s7x s HIS 3 Cb -0.19 -0.82 0.05 0.00 1.11 0.00 0.00 32.58 32.73 1s7x s HIS 3 CO 0.58 -0.44 0.48 -1.54 -0.85 0.00 0.00 174.74 172.97 1s7x s SER 4 N -3.30 -0.39 -0.00 1.40 1.04 -1.26 -0.86 113.70 110.33 1s7x s SER 4 Ca 0.38 0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.96 1s7x s SER 4 Cb 0.07 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1s7x s SER 4 CO 0.14 -0.70 -0.10 -0.32 0.98 0.00 0.00 173.24 173.25 1s7x s MET 5 N -2.44 0.78 0.01 4.02 1.75 -0.39 -1.12 119.30 121.91 1s7x s MET 5 Ca -0.05 -0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.01 1s7x s MET 5 Cb -0.01 -0.75 -0.01 0.00 2.84 0.00 0.00 34.83 36.91 1s7x s MET 5 CO -0.02 0.20 -0.02 1.03 -0.65 0.00 0.00 175.02 175.56 1s7x s ARG 6 N -0.31 0.20 -0.12 4.11 1.81 -0.19 -1.92 118.95 122.52 1s7x s ARG 6 Ca 0.03 -0.32 0.01 0.00 -1.72 0.00 0.00 55.73 53.73 1s7x s ARG 6 Cb -0.04 -0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.44 1s7x s ARG 6 CO -0.00 -0.01 -0.15 0.71 -0.68 0.00 0.00 175.30 175.17 1s7x s TYR 7 N -0.71 2.77 -0.23 -0.53 1.51 0.58 -0.17 117.35 120.57 1s7x s TYR 7 Ca -0.07 -0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 55.28 1s7x s TYR 7 Cb -0.05 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1s7x s TYR 7 CO -0.00 -0.23 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.07 1s7x s PHE 8 N 0.32 2.99 0.06 2.71 0.40 -0.16 -1.84 117.98 122.46 1s7x s PHE 8 Ca -0.12 -1.33 0.09 0.00 -0.60 0.00 0.00 56.93 54.97 1s7x s PHE 8 Cb -0.16 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1s7x s PHE 8 CO 0.06 -0.67 -0.24 -1.21 0.70 0.00 0.00 175.22 173.85 1s7x s GLU 9 N 1.38 1.82 -0.01 0.44 2.02 -0.14 -1.66 118.70 122.54 1s7x s GLU 9 Ca 0.03 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 53.91 1s7x s GLU 9 Cb -0.15 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1s7x s GLU 9 CO -0.05 0.51 -0.01 0.99 0.02 0.00 0.00 175.26 176.72 1s7x s THR 10 N -0.87 0.16 -0.07 3.63 2.01 0.00 -1.13 115.64 119.38 1s7x s THR 10 Ca 0.13 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1s7x s THR 10 Cb -0.10 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1s7x s THR 10 CO 0.03 0.08 -0.13 0.00 -0.69 0.00 0.00 174.62 173.92 1s7x s ALA 11 N 0.32 1.30 -0.07 7.40 0.00 -0.36 -0.71 121.76 129.64 1s7x s ALA 11 Ca -0.03 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1s7x s ALA 11 Cb -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1s7x s ALA 11 CO -0.01 0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.83 1s7x s VAL 12 N 0.67 1.12 -0.01 0.00 1.01 -0.69 -1.31 120.40 121.19 1s7x s VAL 12 Ca -0.14 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1s7x s VAL 12 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1s7x s VAL 12 CO 0.04 0.36 -0.01 -0.94 0.00 0.00 0.00 175.10 174.54 1s7x s SER 13 N 0.79 5.04 0.02 3.32 1.04 -0.09 -1.52 113.70 122.31 1s7x s SER 13 Ca -0.12 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1s7x s SER 13 Cb -0.15 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.65 1s7x s SER 13 CO 0.02 0.29 -0.04 -0.60 0.98 0.00 0.00 173.24 173.89 1s7x s ARG 14 N -1.45 0.33 0.15 4.02 3.52 -1.26 -1.92 118.95 122.34 1s7x s ARG 14 Ca 0.18 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.42 1s7x s ARG 14 Cb -0.11 -0.11 0.55 0.00 -1.56 0.00 0.00 34.95 33.72 1s7x s ARG 14 CO 0.09 0.01 1.31 -2.30 -0.81 0.00 0.00 175.30 173.60 1s7x n PRO 15 N 2.07 0.06 0.03 5.12 -0.02 -1.21 -2.81 135.00 138.24 1s7x n PRO 15 Ca -0.20 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1s7x n PRO 15 Cb 0.56 -1.71 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 1s7x n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s7x n GLY 16 N -1.37 -1.18 3.54 -1.23 0.00 -1.26 -4.92 105.19 98.77 1s7x n GLY 16 Ca -0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1s7x n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s7x s LEU 17 N -5.81 2.92 0.06 0.99 1.43 -1.12 -5.04 118.68 112.11 1s7x s LEU 17 Ca -0.03 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1s7x s LEU 17 Cb 0.09 -1.71 -0.18 0.00 0.03 0.00 0.00 46.19 44.42 1s7x s LEU 17 CO 0.81 0.25 1.58 -0.08 0.23 0.00 0.00 176.35 179.14 1s7x h GLU 18 N 4.33 -0.58 -6.39 1.70 4.81 -1.91 -3.43 114.58 113.11 1s7x h GLU 18 Ca -0.48 0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.16 1s7x h GLU 18 Cb 1.16 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 30.55 1s7x h GLU 18 CO 0.51 -0.35 -0.68 -1.21 -0.73 0.00 0.00 179.01 176.55 1s7x s GLU 19 N -5.82 2.37 0.61 1.92 0.41 -1.26 -5.03 118.70 111.90 1s7x s GLU 19 Ca -0.16 -1.02 -0.16 0.00 -0.41 0.00 0.00 54.97 53.23 1s7x s GLU 19 Cb 0.04 -2.39 -0.03 0.00 -1.78 0.00 0.00 34.13 29.97 1s7x s GLU 19 CO 0.61 0.49 1.08 -2.14 -0.49 0.00 0.00 175.26 174.81 1s7x s PRO 20 N -2.60 3.16 -0.08 0.39 0.02 -1.26 -4.89 135.00 129.73 1s7x s PRO 20 Ca 0.26 1.30 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 1s7x s PRO 20 Cb -0.10 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1s7x s PRO 20 CO 0.17 -0.95 0.70 0.50 -0.33 0.00 0.00 177.00 177.09 1s7x s ARG 21 N -4.01 4.41 -0.16 5.54 3.52 -0.57 -4.87 118.95 122.81 1s7x s ARG 21 Ca 0.65 0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 57.10 1s7x s ARG 21 Cb -0.18 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1s7x s ARG 21 CO 0.37 0.02 -0.09 -0.47 -0.81 0.00 0.00 175.30 174.32 1s7x s TYR 22 N 0.97 2.89 -0.06 5.12 5.04 -1.26 -1.70 117.35 128.35 1s7x s TYR 22 Ca 0.37 -0.66 0.03 0.00 -2.44 0.00 0.00 57.07 54.36 1s7x s TYR 22 Cb -0.17 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.21 1s7x s TYR 22 CO 0.17 -0.27 -0.14 0.42 -1.34 0.00 0.00 175.55 174.39 1s7x s ILE 23 N 0.64 1.24 -0.09 3.14 1.01 0.11 -1.66 121.20 125.60 1s7x s ILE 23 Ca -0.05 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1s7x s ILE 23 Cb -0.15 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1s7x s ILE 23 CO 0.03 0.37 -0.18 -0.55 0.00 0.00 0.00 174.94 174.61 1s7x s SER 24 N 0.47 2.44 -0.14 3.58 0.15 -0.34 -0.82 113.70 119.05 1s7x s SER 24 Ca -0.12 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.12 1s7x s SER 24 Cb -0.14 -1.12 0.02 0.00 -1.71 0.00 0.00 66.02 63.06 1s7x s SER 24 CO 0.04 0.09 -0.18 -0.69 1.20 0.00 0.00 173.24 173.70 1s7x s VAL 25 N 0.56 1.76 0.10 4.45 1.01 -0.67 -1.14 120.40 126.48 1s7x s VAL 25 Ca -0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1s7x s VAL 25 Cb -0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1s7x s VAL 25 CO 0.05 0.49 0.29 -0.83 0.00 0.00 0.00 175.10 175.10 1s7x s GLY 26 N 1.08 2.21 -0.02 4.51 0.00 -0.73 -0.99 107.32 113.38 1s7x s GLY 26 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1s7x s GLY 26 CO -0.05 -0.66 0.01 -0.19 0.00 0.00 0.00 173.10 172.21 1s7x s TYR 27 N -1.58 0.16 -0.13 1.90 1.51 0.76 -1.59 117.35 118.38 1s7x s TYR 27 Ca 0.38 0.04 -0.00 0.00 -1.01 0.00 0.00 57.07 56.48 1s7x s TYR 27 Cb -0.13 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.45 1s7x s TYR 27 CO 0.26 -0.08 -0.13 0.08 -1.11 0.00 0.00 175.55 174.57 1s7x s VAL 28 N 0.75 3.01 -1.44 0.71 1.01 -0.56 -1.03 120.40 122.85 1s7x s VAL 28 Ca -0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1s7x s VAL 28 Cb -0.10 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.06 1s7x s VAL 28 CO -0.02 0.52 0.68 0.47 0.00 0.00 0.00 175.10 176.76 1s7x n ASP 29 N 3.54 -1.97 -2.34 3.32 8.00 -0.28 -1.69 116.55 125.14 1s7x n ASP 29 Ca -0.18 -0.90 -0.18 0.00 0.71 0.00 0.00 54.79 54.24 1s7x n ASP 29 Cb 0.53 -3.51 -0.01 0.00 -0.02 0.00 0.00 41.12 38.10 1s7x n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s7x n ASN 30 N -2.93 -5.20 -3.91 -2.24 5.03 -1.26 -4.99 115.26 99.76 1s7x n ASN 30 Ca -0.18 0.09 -0.23 0.00 0.87 0.00 0.00 54.58 55.13 1s7x n ASN 30 Cb 0.62 -4.38 -0.17 0.00 -1.02 0.00 0.00 39.78 34.84 1s7x n ASN 30 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1s7x s LYS 31 N -4.91 1.15 0.25 3.52 1.02 -0.68 -5.09 119.74 114.99 1s7x s LYS 31 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 1s7x s LYS 31 Cb 0.00 -1.14 -0.11 0.00 -0.52 0.00 0.00 37.83 36.05 1s7x s LYS 31 CO 0.00 -0.13 1.65 -2.00 -0.92 0.00 0.00 175.35 173.95 1s7x s GLU 32 N 1.17 4.13 0.00 1.68 2.12 -1.26 -1.49 118.70 125.05 1s7x s GLU 32 Ca -0.06 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.84 1s7x s GLU 32 Cb -0.14 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1s7x s GLU 32 CO -0.01 -0.68 0.00 1.97 -0.54 0.00 0.00 175.26 176.00 1s7x n PHE 33 N 3.09 0.00 -4.03 5.30 -1.74 -0.62 -4.35 117.46 115.12 1s7x n PHE 33 Ca 0.12 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.92 1s7x n PHE 33 Cb 0.37 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.28 1s7x n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1s7x s VAL 34 N -0.52 0.12 -0.28 1.97 -7.23 -1.22 -1.64 120.40 111.59 1s7x s VAL 34 Ca 0.00 -1.60 -0.18 0.00 -1.81 0.00 0.00 61.98 58.39 1s7x s VAL 34 Cb 0.00 -1.78 0.11 0.00 0.56 0.00 0.00 36.38 35.28 1s7x s VAL 34 CO 0.00 -0.52 0.87 -0.60 -0.31 0.00 0.00 175.10 174.54 1s7x s ARG 35 N -3.97 0.54 0.02 4.82 3.52 -0.56 -1.78 118.95 121.55 1s7x s ARG 35 Ca 0.16 0.86 0.07 0.00 -0.13 0.00 0.00 55.73 56.69 1s7x s ARG 35 Cb 0.06 0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 1s7x s ARG 35 CO -0.03 -0.10 -0.22 0.12 -0.81 0.00 0.00 175.30 174.26 1s7x s PHE 36 N 1.18 1.93 -0.21 5.12 2.19 -0.29 -0.97 117.98 126.93 1s7x s PHE 36 Ca -0.07 -0.38 -0.04 0.00 0.33 0.00 0.00 56.93 56.78 1s7x s PHE 36 Cb -0.04 -1.19 0.11 0.00 -1.31 0.00 0.00 43.02 40.58 1s7x s PHE 36 CO -0.14 0.04 0.33 0.34 1.83 0.00 0.00 175.22 177.62 1s7x s ASP 37 N -0.89 0.49 0.34 6.13 -1.08 -1.26 -1.20 116.67 119.19 1s7x s ASP 37 Ca 0.08 0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.62 1s7x s ASP 37 Cb -0.09 0.90 1.15 0.00 -1.46 0.00 0.00 42.92 43.43 1s7x s ASP 37 CO 0.01 -0.29 1.78 0.77 0.52 0.00 0.00 175.17 177.95 1s7x h SER 38 N 8.23 0.00 1.30 -0.34 4.64 -1.71 -1.98 113.55 123.69 1s7x h SER 38 Ca -0.18 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 1s7x h SER 38 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1s7x h SER 38 CO 0.24 0.00 -0.61 0.44 -0.87 0.00 0.00 176.83 176.03 1s7x h ASP 39 N 0.00 0.00 -2.79 4.97 5.19 -1.96 -3.45 116.42 118.38 1s7x h ASP 39 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1s7x h ASP 39 Cb 0.30 0.00 0.20 0.00 0.18 0.00 0.00 39.33 40.00 1s7x h ASP 39 CO 0.00 0.61 -0.81 0.00 -3.12 0.00 0.00 179.24 175.91 1s7x n ALA 40 N -2.26 -2.61 -0.31 3.45 0.00 -0.75 -4.92 120.51 113.11 1s7x n ALA 40 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1s7x n ALA 40 Cb 0.76 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1s7x n ALA 40 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s7x n GLU 41 N 0.16 0.00 -3.56 0.00 -0.00 -1.26 -3.79 120.64 112.20 1s7x n GLU 41 Ca 0.07 0.60 -0.40 0.00 -0.00 0.00 0.00 57.16 57.42 1s7x n GLU 41 Cb 0.51 -0.97 -0.06 0.00 -0.00 0.00 0.00 31.44 30.92 1s7x n GLU 41 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1s7x s ASN 42 N -2.69 5.96 0.09 -1.84 2.47 -1.26 -5.12 114.94 112.54 1s7x s ASN 42 Ca 0.00 -2.97 -0.34 0.00 0.42 0.00 0.00 52.86 49.97 1s7x s ASN 42 Cb 0.00 -2.00 -0.14 0.00 -1.45 0.00 0.00 41.25 37.66 1s7x s ASN 42 CO 0.00 -0.41 1.63 -0.81 -3.72 0.00 0.00 177.10 173.79 1s7x n PRO 43 N 3.44 2.05 -3.58 0.43 -0.04 -1.25 -4.95 135.00 131.10 1s7x n PRO 43 Ca 0.13 0.74 -0.14 0.00 -0.04 0.00 0.00 63.50 64.18 1s7x n PRO 43 Cb 0.41 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 1s7x n PRO 43 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s7x s ARG 44 N 1.66 0.84 0.29 0.54 3.52 -1.26 -5.03 118.95 119.50 1s7x s ARG 44 Ca 0.83 0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 56.61 1s7x s ARG 44 Cb -0.71 0.40 -0.10 0.00 -1.56 0.00 0.00 34.95 32.97 1s7x s ARG 44 CO 0.42 -0.21 1.36 0.71 -0.81 0.00 0.00 175.30 176.78 1s7x s TYR 45 N -0.57 3.05 0.02 5.12 2.02 -1.26 -4.32 117.35 121.40 1s7x s TYR 45 Ca -0.04 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.91 1s7x s TYR 45 Cb -0.02 -3.73 -0.01 0.00 -0.40 0.00 0.00 41.96 37.79 1s7x s TYR 45 CO 0.04 -2.20 -0.05 -1.21 -1.57 0.00 0.00 175.55 170.56 1s7x s GLU 46 N -1.06 0.39 0.29 -0.62 0.41 -0.14 -4.93 118.70 113.04 1s7x s GLU 46 Ca 0.54 -0.42 -0.29 0.00 -0.41 0.00 0.00 54.97 54.38 1s7x s GLU 46 Cb -0.40 -0.25 -0.10 0.00 -1.78 0.00 0.00 34.13 31.60 1s7x s GLU 46 CO 0.48 0.05 1.19 -1.25 -0.49 0.00 0.00 175.26 175.24 1s7x s PRO 47 N -0.80 4.52 0.00 0.39 0.04 -1.26 -1.49 135.00 136.39 1s7x s PRO 47 Ca -0.05 1.97 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1s7x s PRO 47 Cb -0.06 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1s7x s PRO 47 CO -0.00 0.04 0.59 0.54 0.04 0.00 0.00 177.00 178.21 1s7x n ARG 48 N 1.12 -0.33 -4.09 4.56 5.12 -0.65 -4.91 116.66 117.48 1s7x n ARG 48 Ca -0.00 -0.68 -0.14 0.00 -1.93 0.00 0.00 57.85 55.10 1s7x n ARG 48 Cb 0.44 -1.01 -0.12 0.00 -1.16 0.00 0.00 32.46 30.61 1s7x n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s7x s ALA 49 N -0.19 0.61 0.24 7.54 0.00 -1.25 -4.73 121.76 123.97 1s7x s ALA 49 Ca 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1s7x s ALA 49 Cb 0.00 0.01 0.40 0.00 0.00 0.00 0.00 23.12 23.53 1s7x s ALA 49 CO 0.01 0.01 1.64 -1.35 0.00 0.00 0.00 175.76 176.07 1s7x h PRO 50 N 4.68 0.10 0.00 0.00 0.11 -1.96 -2.44 132.00 132.49 1s7x h PRO 50 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1s7x h PRO 50 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s7x h PRO 50 CO 0.42 0.07 0.00 0.11 -0.21 0.00 0.00 178.00 178.39 1s7x h TRP 51 N 0.10 0.00 0.00 0.65 5.08 -1.97 -2.60 115.95 117.21 1s7x h TRP 51 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1s7x h TRP 51 Cb 0.67 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 1s7x h TRP 51 CO -0.41 0.00 -0.66 -1.33 -1.28 0.00 0.00 178.44 174.76 1s7x n MET 52 N -2.32 0.24 0.32 0.12 2.81 -0.92 -3.75 117.12 113.62 1s7x n MET 52 Ca -0.01 0.06 0.19 0.00 -1.81 0.00 0.00 57.70 56.14 1s7x n MET 52 Cb 0.09 -1.64 1.07 0.00 -0.71 0.00 0.00 33.22 32.02 1s7x n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1s7x h GLU 53 N 0.00 0.00 -0.71 0.03 4.39 -1.59 -2.31 114.58 114.39 1s7x h GLU 53 Ca 0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1s7x h GLU 53 Cb 0.70 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.22 1s7x h GLU 53 CO 0.00 0.01 -0.20 1.96 -1.16 0.00 0.00 179.01 179.61 1s7x h GLN 54 N 0.00 -0.02 -7.02 2.33 4.20 -1.78 -3.44 115.11 109.39 1s7x h GLN 54 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1s7x h GLN 54 Cb 0.05 0.01 0.14 0.00 0.30 0.00 0.00 27.48 27.97 1s7x h GLN 54 CO 0.00 -0.01 0.60 0.39 -0.67 0.00 0.00 178.83 179.14 1s7x n GLU 55 N -5.47 1.78 -2.43 1.46 -0.58 -0.87 -4.99 120.64 109.53 1s7x n GLU 55 Ca 0.09 0.65 -0.24 0.00 -0.42 0.00 0.00 57.16 57.24 1s7x n GLU 55 Cb 0.37 -2.57 0.08 0.00 -0.57 0.00 0.00 31.44 28.75 1s7x n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s7x s GLY 56 N -0.83 1.76 0.44 0.62 0.00 -1.26 -4.96 107.32 103.09 1s7x s GLY 56 Ca 0.70 -1.34 0.17 0.00 0.00 0.00 0.00 44.72 44.25 1s7x s GLY 56 CO 0.51 -0.88 1.91 -2.55 0.00 0.00 0.00 173.10 172.09 1s7x h PRO 57 N -0.49 0.36 -0.05 2.90 0.11 -1.97 -2.02 132.00 130.83 1s7x h PRO 57 Ca -0.41 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1s7x h PRO 57 Cb 1.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1s7x h PRO 57 CO 0.49 0.24 -0.36 1.49 -0.21 0.00 0.00 178.00 179.65 1s7x h GLU 58 N 0.37 0.10 -0.26 1.05 4.81 -1.99 -2.39 114.58 116.27 1s7x h GLU 58 Ca 0.39 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1s7x h GLU 58 Cb 0.97 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1s7x h GLU 58 CO -0.12 0.45 0.03 -0.92 -0.73 0.00 0.00 179.01 177.72 1s7x h TYR 59 N 0.09 0.47 -0.22 0.92 5.03 -1.74 -1.89 116.97 119.63 1s7x h TYR 59 Ca 0.01 -0.07 -0.17 0.00 2.58 0.00 0.00 58.73 61.07 1s7x h TYR 59 Cb 0.68 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 1s7x h TYR 59 CO 0.00 0.57 -0.56 -1.49 -1.32 0.00 0.00 178.16 175.36 1s7x h TRP 60 N 0.24 0.85 -0.22 -3.82 4.06 -1.54 -1.53 115.95 113.98 1s7x h TRP 60 Ca 0.08 -0.31 -0.02 0.00 2.06 0.00 0.00 58.89 60.70 1s7x h TRP 60 Cb 0.36 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1s7x h TRP 60 CO 0.03 1.08 0.07 1.49 -3.56 0.00 0.00 178.44 177.55 1s7x h GLU 61 N 0.51 0.34 -0.15 0.49 4.81 -1.48 -0.55 114.58 118.55 1s7x h GLU 61 Ca 0.01 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1s7x h GLU 61 Cb 1.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1s7x h GLU 61 CO 0.11 0.41 0.08 -0.09 -0.73 0.00 0.00 179.01 178.80 1s7x h ARG 62 N 0.19 0.17 -0.28 1.92 1.12 -1.30 -2.25 114.38 113.95 1s7x h ARG 62 Ca 0.07 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.77 1s7x h ARG 62 Cb 0.21 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1s7x h ARG 62 CO -0.00 0.11 -0.48 0.93 -3.11 0.00 0.00 179.97 177.42 1s7x h GLU 63 N 0.18 0.76 -0.26 0.20 4.39 -1.26 -2.40 114.58 116.17 1s7x h GLU 63 Ca 0.06 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.33 1s7x h GLU 63 Cb 0.00 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1s7x h GLU 63 CO -0.04 1.07 0.13 1.15 -1.16 0.00 0.00 179.01 180.17 1s7x h THR 64 N 0.60 1.00 0.00 1.13 2.02 -1.04 -0.71 112.91 115.91 1s7x h THR 64 Ca 0.03 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1s7x h THR 64 Cb 1.05 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1s7x h THR 64 CO 0.10 0.05 -0.23 1.56 0.37 0.00 0.00 175.52 177.38 1s7x h GLN 65 N 0.28 0.00 -0.30 6.66 1.08 -1.29 -0.51 115.11 121.03 1s7x h GLN 65 Ca 0.11 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 1s7x h GLN 65 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1s7x h GLN 65 CO -0.07 0.23 -0.47 0.87 -0.95 0.00 0.00 178.83 178.44 1s7x h LYS 66 N 0.00 0.79 -0.24 1.46 1.57 -0.94 -2.46 116.57 116.75 1s7x h LYS 66 Ca -0.00 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 1s7x h LYS 66 Cb 0.45 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1s7x h LYS 66 CO 0.03 1.08 -0.14 0.00 -0.57 0.00 0.00 179.45 179.86 1s7x h ALA 67 N 0.84 1.33 0.00 3.86 0.00 -0.15 -0.91 119.26 124.22 1s7x h ALA 67 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1s7x h ALA 67 Cb 1.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1s7x h ALA 67 CO 0.10 0.45 -0.62 0.87 0.00 0.00 0.00 179.25 180.06 1s7x h LYS 68 N 0.37 0.00 -0.06 0.00 1.57 -1.01 -1.22 116.57 116.23 1s7x h LYS 68 Ca 0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1s7x h LYS 68 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1s7x h LYS 68 CO 0.03 0.62 -0.58 0.78 -0.57 0.00 0.00 179.45 179.72 1s7x h GLY 69 N 1.94 0.55 0.45 3.86 0.00 -1.04 -3.08 103.07 105.75 1s7x h GLY 69 Ca -0.01 -0.85 0.12 0.00 0.00 0.00 0.00 47.33 46.59 1s7x h GLY 69 CO 0.08 0.76 0.63 1.46 0.00 0.00 0.00 176.54 179.47 1s7x h GLN 70 N 0.07 0.95 -0.55 4.80 1.08 -1.06 -1.36 115.11 119.03 1s7x h GLN 70 Ca -0.06 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1s7x h GLN 70 Cb 1.25 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.44 1s7x h GLN 70 CO 0.12 0.63 0.33 1.49 -0.95 0.00 0.00 178.83 180.45 1s7x h GLU 71 N 0.98 0.76 -0.72 1.46 4.81 -1.21 0.22 114.58 120.88 1s7x h GLU 71 Ca 0.50 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1s7x h GLU 71 Cb 0.51 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1s7x h GLU 71 CO -0.27 0.56 0.21 1.96 -0.73 0.00 0.00 179.01 180.74 1s7x h GLN 72 N 0.75 1.13 -0.76 1.92 1.08 -1.31 -0.26 115.11 117.66 1s7x h GLN 72 Ca 0.20 -0.25 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1s7x h GLN 72 Cb 0.00 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 1s7x h GLN 72 CO -0.04 0.97 0.48 2.35 -0.95 0.00 0.00 178.83 181.64 1s7x h TRP 73 N 1.08 0.90 -0.24 2.96 7.01 -0.64 -0.69 115.95 126.32 1s7x h TRP 73 Ca 0.23 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.11 1s7x h TRP 73 Cb 0.32 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1s7x h TRP 73 CO 0.03 0.52 -0.44 0.74 -2.79 0.00 0.00 178.44 176.49 1s7x h PHE 74 N 0.94 0.72 0.41 2.65 -1.00 -0.57 -0.92 116.94 119.16 1s7x h PHE 74 Ca 0.30 -0.22 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1s7x h PHE 74 Cb 0.02 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.43 1s7x h PHE 74 CO -0.03 0.93 -0.20 0.00 -1.61 0.00 0.00 178.31 177.40 1s7x h ARG 75 N 0.48 -0.53 -0.41 1.51 3.08 -0.41 -0.11 114.38 117.99 1s7x h ARG 75 Ca 0.03 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1s7x h ARG 75 Cb 0.96 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1s7x h ARG 75 CO 0.09 -0.30 0.27 0.28 -1.07 0.00 0.00 179.97 179.23 1s7x h VAL 76 N -0.64 1.12 -0.58 2.04 2.07 -1.13 -2.18 116.25 116.94 1s7x h VAL 76 Ca -0.06 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1s7x h VAL 76 Cb 0.47 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1s7x h VAL 76 CO 0.09 0.11 0.32 0.28 0.02 0.00 0.00 177.57 178.40 1s7x h SER 77 N 0.56 0.48 -0.79 0.57 0.02 -1.07 -0.50 113.55 112.81 1s7x h SER 77 Ca 0.15 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1s7x h SER 77 Cb -0.04 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1s7x h SER 77 CO -0.03 0.32 0.52 -0.07 -1.14 0.00 0.00 176.83 176.43 1s7x h LEU 78 N 0.61 0.87 0.09 5.07 4.07 -0.72 0.14 115.31 125.44 1s7x h LEU 78 Ca 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1s7x h LEU 78 Cb 0.13 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1s7x h LEU 78 CO -0.16 0.61 -0.07 0.03 -1.08 0.00 0.00 178.44 177.78 1s7x h ARG 79 N 1.03 -0.16 -0.94 1.13 2.47 -0.95 -2.34 114.38 114.63 1s7x h ARG 79 Ca 0.31 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.07 1s7x h ARG 79 Cb -0.05 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.26 1s7x h ARG 79 CO -0.09 -0.11 0.61 -0.91 0.56 0.00 0.00 179.97 180.03 1s7x h ASN 80 N -0.17 1.03 -0.24 7.04 2.35 -0.37 -2.20 115.58 123.02 1s7x h ASN 80 Ca -0.00 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1s7x h ASN 80 Cb 0.15 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1s7x h ASN 80 CO -0.01 0.71 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.27 1s7x h LEU 81 N 1.20 0.66 -0.51 1.61 3.38 -0.86 -1.19 115.31 119.59 1s7x h LEU 81 Ca 0.37 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1s7x h LEU 81 Cb -0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1s7x h LEU 81 CO -0.11 0.82 0.24 0.25 0.09 0.00 0.00 178.44 179.73 1s7x h LEU 82 N 0.60 0.32 -0.10 1.67 5.85 -0.84 -1.01 115.31 121.80 1s7x h LEU 82 Ca 0.10 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1s7x h LEU 82 Cb 0.60 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1s7x h LEU 82 CO 0.04 0.22 0.04 1.23 -0.34 0.00 0.00 178.44 179.63 1s7x h GLY 83 N 0.46 0.16 0.80 3.75 0.00 -1.19 -1.91 103.07 105.14 1s7x h GLY 83 Ca 0.23 -0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.57 1s7x h GLY 83 CO -0.19 0.08 0.53 -0.97 0.00 0.00 0.00 176.54 176.00 1s7x h TYR 84 N -0.00 0.82 -0.68 5.60 0.05 -0.72 -1.94 116.97 120.10 1s7x h TYR 84 Ca 0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1s7x h TYR 84 Cb 0.18 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1s7x h TYR 84 CO -0.01 0.38 0.00 0.66 -1.05 0.00 0.00 178.16 178.13 1s7x n TYR 85 N -4.51 0.90 -4.17 4.88 4.01 -0.43 -4.87 117.16 112.96 1s7x n TYR 85 Ca 0.14 -0.45 -0.34 0.00 -0.16 0.00 0.00 57.90 57.08 1s7x n TYR 85 Cb 0.33 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.34 1s7x n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1s7x n ASN 86 N 1.65 -3.04 -4.81 7.72 5.15 -0.73 -4.93 115.26 116.27 1s7x n ASN 86 Ca 0.24 -0.99 -0.38 0.00 -0.60 0.00 0.00 54.58 52.84 1s7x n ASN 86 Cb 0.63 -2.88 -0.06 0.00 -0.53 0.00 0.00 39.78 36.94 1s7x n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1s7x s GLN 87 N -6.87 4.18 0.00 1.20 -0.21 -0.80 -5.06 119.66 112.10 1s7x s GLN 87 Ca 0.64 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.73 1s7x s GLN 87 Cb -0.35 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.44 1s7x s GLN 87 CO 0.92 0.64 0.00 0.43 -2.12 0.00 0.00 175.29 175.15 1s7x n SER 88 N 1.69 0.00 -4.87 5.90 7.64 -1.26 -4.72 113.62 118.00 1s7x n SER 88 Ca -0.10 -0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.34 1s7x n SER 88 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1s7x n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s7x s ALA 89 N -2.76 3.32 0.00 -0.43 0.00 -1.26 -4.62 121.76 116.01 1s7x s ALA 89 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1s7x s ALA 89 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1s7x s ALA 89 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1s7x n GLY 90 N -1.25 1.07 3.35 0.00 0.00 -1.26 -5.11 105.19 101.99 1s7x n GLY 90 Ca 0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1s7x n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s7x s GLY 91 N -2.19 2.03 -0.17 -0.02 0.00 -1.26 -4.88 107.32 100.82 1s7x s GLY 91 Ca 0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 42.89 1s7x s GLY 91 CO 0.00 -1.62 0.06 -0.56 0.00 0.00 0.00 173.10 170.98 1s7x s SER 92 N -3.39 5.64 0.06 1.64 0.01 -1.26 -3.35 113.70 113.06 1s7x s SER 92 Ca 0.35 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1s7x s SER 92 Cb 0.06 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1s7x s SER 92 CO 0.16 0.19 -0.08 -1.00 0.41 0.00 0.00 173.24 172.92 1s7x s HIS 93 N 0.25 0.81 -0.02 2.43 0.09 -0.81 -4.99 115.29 113.05 1s7x s HIS 93 Ca 0.04 -0.62 0.01 0.00 -0.00 0.00 0.00 55.06 54.49 1s7x s HIS 93 Cb -0.12 -0.47 0.01 0.00 -0.00 0.00 0.00 32.58 32.00 1s7x s HIS 93 CO 0.00 -0.08 -0.03 0.99 -0.00 0.00 0.00 174.74 175.62 1s7x s THR 94 N -2.08 0.33 -0.11 1.30 2.01 -1.26 -0.91 115.64 114.93 1s7x s THR 94 Ca -0.02 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1s7x s THR 94 Cb -0.05 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1s7x s THR 94 CO -0.01 0.13 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.72 1s7x s LEU 95 N 0.31 1.44 0.16 4.42 2.96 -0.43 -1.50 118.68 126.04 1s7x s LEU 95 Ca -0.03 -0.35 0.11 0.00 -0.22 0.00 0.00 54.13 53.64 1s7x s LEU 95 Cb -0.06 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 1s7x s LEU 95 CO -0.00 -0.06 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.63 1s7x s GLN 96 N 1.35 1.52 -0.00 1.98 -0.21 0.01 -1.22 119.66 123.08 1s7x s GLN 96 Ca -0.01 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 53.96 1s7x s GLN 96 Cb -0.14 -1.90 -0.00 0.00 1.00 0.00 0.00 33.01 31.97 1s7x s GLN 96 CO -0.05 0.43 -0.03 -1.14 -2.12 0.00 0.00 175.29 172.38 1s7x s GLN 97 N -2.41 0.22 -0.07 2.91 0.74 -0.28 -1.43 119.66 119.34 1s7x s GLN 97 Ca 0.18 -0.09 0.03 0.00 0.05 0.00 0.00 55.36 55.54 1s7x s GLN 97 Cb -0.09 -0.22 0.01 0.00 1.10 0.00 0.00 33.01 33.80 1s7x s GLN 97 CO 0.09 0.05 -0.16 -1.64 -0.55 0.00 0.00 175.29 173.08 1s7x s MET 98 N -0.00 1.98 0.01 1.67 -1.94 -0.41 -0.97 119.30 119.64 1s7x s MET 98 Ca 0.00 -0.55 -0.16 0.00 -1.71 0.00 0.00 55.69 53.28 1s7x s MET 98 Cb -0.02 -1.61 0.03 0.00 2.01 0.00 0.00 34.83 35.24 1s7x s MET 98 CO -0.00 0.10 0.35 -1.54 -0.01 0.00 0.00 175.02 173.92 1s7x s SER 99 N 0.46 -0.22 0.00 3.03 1.04 -0.76 -1.35 113.70 115.90 1s7x s SER 99 Ca -0.13 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1s7x s SER 99 Cb -0.15 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1s7x s SER 99 CO 0.04 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1s7x n GLY 100 N 0.93 -0.64 3.23 7.32 0.00 -0.65 -0.30 105.19 115.07 1s7x n GLY 100 Ca -0.20 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 1s7x n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7x s ASP 102 N -2.25 4.21 0.01 0.00 1.01 -0.17 -1.26 116.67 118.22 1s7x s ASP 102 Ca 0.06 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 52.98 1s7x s ASP 102 Cb -0.06 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 1s7x s ASP 102 CO 0.03 0.12 0.21 -0.76 0.21 0.00 0.00 175.17 174.98 1s7x s LEU 103 N 0.64 4.36 1.04 1.23 1.43 -0.04 -0.18 118.68 127.17 1s7x s LEU 103 Ca -0.05 0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 1s7x s LEU 103 Cb -0.15 -2.69 0.22 0.00 0.03 0.00 0.00 46.19 43.60 1s7x s LEU 103 CO 0.03 0.24 1.18 -0.83 0.23 0.00 0.00 176.35 177.20 1s7x s GLY 104 N -1.96 1.64 0.62 -3.19 0.00 -0.27 -2.10 107.32 102.06 1s7x s GLY 104 Ca 0.29 -0.90 0.37 0.00 0.00 0.00 0.00 44.72 44.47 1s7x s GLY 104 CO 0.19 -0.15 2.28 1.48 0.00 0.00 0.00 173.10 176.90 1s7x h SER 105 N -1.98 0.00 0.00 1.64 4.64 -1.90 -0.03 113.55 115.92 1s7x h SER 105 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1s7x h SER 105 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1s7x h SER 105 CO 0.43 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.51 1s7x n ASP 106 N -3.43 0.00 0.00 4.97 5.75 -1.26 -4.64 116.55 117.94 1s7x n ASP 106 Ca -0.03 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 1s7x n ASP 106 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1s7x n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1s7x n TRP 107 N -0.84 0.00 -3.50 2.11 7.02 -0.02 -5.01 117.44 117.20 1s7x n TRP 107 Ca 0.13 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.32 1s7x n TRP 107 Cb 0.06 -0.93 -0.04 0.00 -2.42 0.00 0.00 31.31 27.98 1s7x n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1s7x s ARG 108 N -0.91 3.62 -0.08 -0.99 1.81 -1.26 -4.81 118.95 116.33 1s7x s ARG 108 Ca 0.00 -0.07 -0.30 0.00 -1.72 0.00 0.00 55.73 53.63 1s7x s ARG 108 Cb 0.00 -2.73 -0.08 0.00 -0.45 0.00 0.00 34.95 31.68 1s7x s ARG 108 CO 0.00 0.32 2.05 -0.11 -0.68 0.00 0.00 175.30 176.88 1s7x n LEU 109 N -0.58 3.70 0.01 2.53 7.94 -1.26 -1.11 117.00 128.22 1s7x n LEU 109 Ca -0.02 0.68 -0.21 0.00 -1.11 0.00 0.00 56.01 55.35 1s7x n LEU 109 Cb 0.53 -1.50 -0.14 0.00 0.53 0.00 0.00 43.42 42.84 1s7x n LEU 109 CO 0.48 -0.14 -0.34 0.25 -1.11 0.00 0.00 177.39 176.52 1s7x h LEU 110 N 11.83 0.36 -7.00 -1.96 5.85 -0.88 -3.46 115.31 120.05 1s7x h LEU 110 Ca -0.46 -0.85 0.01 0.00 0.84 0.00 0.00 57.88 57.42 1s7x h LEU 110 Cb 1.25 -0.12 -0.22 0.00 0.37 0.00 0.00 40.66 41.94 1s7x h LEU 110 CO 0.95 1.56 0.11 -0.60 -0.34 0.00 0.00 178.44 180.12 1s7x s ARG 111 N -2.46 0.71 0.19 1.25 3.52 -1.08 -5.01 118.95 116.08 1s7x s ARG 111 Ca -0.19 1.08 0.01 0.00 -0.13 0.00 0.00 55.73 56.49 1s7x s ARG 111 Cb 0.04 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.62 1s7x s ARG 111 CO 0.76 -0.12 0.36 0.20 -0.81 0.00 0.00 175.30 175.69 1s7x s GLY 112 N 1.14 1.68 -0.02 8.12 0.00 -1.26 -1.00 107.32 115.97 1s7x s GLY 112 Ca -0.06 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1s7x s GLY 112 CO -0.12 -0.92 -0.02 -0.19 0.00 0.00 0.00 173.10 171.84 1s7x s TYR 113 N -1.86 0.40 -0.22 1.90 1.51 0.26 -4.82 117.35 114.53 1s7x s TYR 113 Ca 0.37 -0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.33 1s7x s TYR 113 Cb -0.11 -0.40 0.11 0.00 -0.11 0.00 0.00 41.96 41.46 1s7x s TYR 113 CO 0.29 -0.10 0.36 -1.17 -1.11 0.00 0.00 175.55 173.82 1s7x s LEU 114 N 0.67 -0.55 -0.05 -1.29 0.20 -1.25 -1.64 118.68 114.76 1s7x s LEU 114 Ca -0.07 0.39 -0.09 0.00 0.69 0.00 0.00 54.13 55.05 1s7x s LEU 114 Cb -0.10 1.05 0.02 0.00 -0.43 0.00 0.00 46.19 46.73 1s7x s LEU 114 CO -0.01 -0.28 0.21 -1.10 -0.29 0.00 0.00 176.35 174.88 1s7x s GLN 115 N 2.53 0.39 0.06 1.98 -0.21 -0.46 -0.66 119.66 123.29 1s7x s GLN 115 Ca 0.08 0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.54 1s7x s GLN 115 Cb -0.14 0.18 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 1s7x s GLN 115 CO -0.14 -0.08 -0.15 -0.06 -2.12 0.00 0.00 175.29 172.74 1s7x s PHE 116 N -0.54 1.33 -0.01 0.91 0.40 0.32 -1.28 117.98 119.11 1s7x s PHE 116 Ca -0.06 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1s7x s PHE 116 Cb -0.04 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 1s7x s PHE 116 CO 0.01 0.07 -0.14 0.00 0.70 0.00 0.00 175.22 175.87 1s7x s ALA 117 N -1.06 1.13 -0.12 5.36 0.00 -0.51 -0.75 121.76 125.81 1s7x s ALA 117 Ca 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1s7x s ALA 117 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1s7x s ALA 117 CO 0.02 0.27 -0.14 -0.47 0.00 0.00 0.00 175.76 175.45 1s7x s TYR 118 N -0.30 2.78 -1.44 0.00 5.04 0.21 -0.81 117.35 122.83 1s7x s TYR 118 Ca 0.05 -0.60 -0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1s7x s TYR 118 Cb -0.05 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.45 1s7x s TYR 118 CO -0.00 -0.17 0.03 0.39 -1.34 0.00 0.00 175.55 174.46 1s7x n GLU 119 N 3.36 -2.09 -0.89 4.97 -0.58 -0.56 -1.52 120.64 123.33 1s7x n GLU 119 Ca -0.18 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1s7x n GLU 119 Cb 0.53 -5.46 0.00 0.00 -0.57 0.00 0.00 31.44 25.94 1s7x n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s7x n GLY 120 N -0.95 0.53 3.19 0.62 0.00 -1.26 -5.02 105.19 102.30 1s7x n GLY 120 Ca -0.19 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1s7x n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s7x s ARG 121 N -0.46 1.55 -0.16 1.61 0.52 -0.58 -5.05 118.95 116.38 1s7x s ARG 121 Ca 0.00 -0.67 -0.40 0.00 -0.52 0.00 0.00 55.73 54.14 1s7x s ARG 121 Cb 0.00 -1.49 -0.17 0.00 0.52 0.00 0.00 34.95 33.82 1s7x s ARG 121 CO 0.00 0.40 1.54 -0.25 0.02 0.00 0.00 175.30 177.00 1s7x n ASP 122 N 2.65 1.79 -0.01 0.23 8.00 -1.26 -0.62 116.55 127.33 1s7x n ASP 122 Ca -0.15 1.11 -0.02 0.00 0.71 0.00 0.00 54.79 56.44 1s7x n ASP 122 Cb 0.53 -1.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.52 1s7x n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s7x n TYR 123 N 3.95 0.00 -3.79 1.24 9.36 0.07 -4.77 117.16 123.21 1s7x n TYR 123 Ca 0.24 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.33 1s7x n TYR 123 Cb 0.12 -0.13 -0.12 0.00 -0.63 0.00 0.00 39.34 38.58 1s7x n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1s7x s ILE 124 N -1.69 -0.00 0.04 2.97 2.07 -1.18 -4.08 121.20 119.32 1s7x s ILE 124 Ca -0.08 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.20 1s7x s ILE 124 Cb 0.01 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 1s7x s ILE 124 CO 0.11 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.05 1s7x s ALA 125 N 0.18 0.71 -0.03 1.50 0.00 -0.26 -0.52 121.76 123.33 1s7x s ALA 125 Ca -0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1s7x s ALA 125 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1s7x s ALA 125 CO -0.00 0.07 0.94 -1.17 0.00 0.00 0.00 175.76 175.59 1s7x s LEU 126 N -1.23 4.34 0.80 0.00 2.96 0.17 -0.50 118.68 125.21 1s7x s LEU 126 Ca -0.05 1.56 -0.11 0.00 -0.22 0.00 0.00 54.13 55.31 1s7x s LEU 126 Cb -0.08 -3.49 0.07 0.00 0.50 0.00 0.00 46.19 43.19 1s7x s LEU 126 CO 0.01 -0.27 1.09 0.20 -1.32 0.00 0.00 176.35 176.06 1s7x s ASN 127 N 1.00 4.28 0.54 3.68 0.01 -0.02 -4.60 114.94 119.83 1s7x s ASN 127 Ca 0.49 1.78 0.26 0.00 -0.71 0.00 0.00 52.86 54.68 1s7x s ASN 127 Cb -0.20 -2.46 1.43 0.00 0.41 0.00 0.00 41.25 40.43 1s7x s ASN 127 CO 0.24 -2.17 1.99 -0.08 -1.51 0.00 0.00 177.10 175.57 1s7x h GLU 128 N -1.23 0.00 0.00 -0.60 4.81 -1.88 0.66 114.58 116.34 1s7x h GLU 128 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1s7x h GLU 128 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1s7x h GLU 128 CO 0.52 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.40 1s7x n ASP 129 N -4.27 0.34 -2.14 1.04 5.75 -1.26 -4.74 116.55 111.27 1s7x n ASP 129 Ca 0.10 0.61 -0.20 0.00 -0.01 0.00 0.00 54.79 55.29 1s7x n ASP 129 Cb 0.62 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 1s7x n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1s7x n LEU 130 N -1.91 -1.83 0.00 -2.12 4.77 0.22 -4.80 117.00 111.33 1s7x n LEU 130 Ca 0.01 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1s7x n LEU 130 Cb 0.13 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.42 1s7x n LEU 130 CO 0.12 -0.33 -0.16 0.29 -1.33 0.00 0.00 177.39 175.98 1s7x n LYS 131 N -2.83 1.09 -4.46 3.23 5.02 -1.26 -4.58 118.16 114.37 1s7x n LYS 131 Ca -0.23 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.83 1s7x n LYS 131 Cb 0.67 -0.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 1s7x n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1s7x s THR 132 N -1.33 1.96 0.03 -0.18 -4.23 -1.26 -4.88 115.64 105.75 1s7x s THR 132 Ca 0.00 -2.21 0.09 0.00 -1.18 0.00 0.00 61.69 58.39 1s7x s THR 132 Cb 0.00 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1s7x s THR 132 CO 0.00 -0.33 -0.26 0.26 -0.54 0.00 0.00 174.62 173.75 1s7x s TRP 133 N -2.81 2.29 -0.21 3.99 0.52 -1.26 -0.84 118.94 120.61 1s7x s TRP 133 Ca 0.29 -0.42 -0.07 0.00 0.02 0.00 0.00 56.10 55.93 1s7x s TRP 133 Cb 0.01 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1s7x s TRP 133 CO 0.13 0.09 0.06 0.99 0.02 0.00 0.00 176.95 178.24 1s7x s THR 134 N -0.76 4.53 -0.21 2.01 2.01 0.34 -4.90 115.64 118.65 1s7x s THR 134 Ca 0.11 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1s7x s THR 134 Cb -0.10 -3.07 0.11 0.00 0.01 0.00 0.00 72.50 69.45 1s7x s THR 134 CO 0.01 0.40 0.28 0.00 -0.69 0.00 0.00 174.62 174.63 1s7x s ALA 135 N 0.96 -0.59 -0.09 7.40 0.00 -1.26 -1.11 121.76 127.08 1s7x s ALA 135 Ca 0.04 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 1s7x s ALA 135 Cb -0.14 -1.43 -0.29 0.00 0.00 0.00 0.00 23.12 21.26 1s7x s ALA 135 CO 0.03 -1.20 0.82 0.00 0.00 0.00 0.00 175.76 175.41 1s7x h ALA 136 N 8.26 -0.04 -2.67 0.00 0.00 -1.88 -3.45 119.26 119.48 1s7x h ALA 136 Ca -0.18 -0.64 -0.52 0.00 0.00 0.00 0.00 54.91 53.57 1s7x h ALA 136 Cb 1.15 0.08 0.12 0.00 0.00 0.00 0.00 17.79 19.15 1s7x h ALA 136 CO 0.27 0.24 0.42 -0.51 0.00 0.00 0.00 179.25 179.67 1s7x s ASP 137 N -6.66 4.88 0.22 0.00 1.11 -1.26 -4.92 116.67 110.04 1s7x s ASP 137 Ca -0.16 2.26 -0.05 0.00 0.18 0.00 0.00 52.55 54.77 1s7x s ASP 137 Cb -0.01 -2.58 0.20 0.00 1.07 0.00 0.00 42.92 41.60 1s7x s ASP 137 CO 0.77 -1.80 1.70 0.24 1.18 0.00 0.00 175.17 177.26 1s7x h MET 138 N 0.30 0.93 -0.26 8.23 2.86 -2.00 -2.66 114.93 122.33 1s7x h MET 138 Ca -0.49 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 56.77 1s7x h MET 138 Cb 1.28 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1s7x h MET 138 CO 0.53 0.92 -0.28 0.00 1.06 0.00 0.00 176.91 179.14 1s7x h ALA 139 N 1.13 1.04 0.00 6.32 0.00 -1.91 -2.66 119.26 123.18 1s7x h ALA 139 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s7x h ALA 139 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s7x h ALA 139 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1s7x h ALA 140 N 1.25 1.00 0.00 0.00 0.00 -1.82 -3.04 119.26 116.65 1s7x h ALA 140 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1s7x h ALA 140 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1s7x h ALA 140 CO 0.06 0.00 -0.28 1.96 0.00 0.00 0.00 179.25 180.99 1s7x h GLN 141 N 0.00 0.00 0.08 0.00 1.08 -1.26 -1.37 115.11 113.65 1s7x h GLN 141 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1s7x h GLN 141 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1s7x h GLN 141 CO 0.00 0.28 -0.04 0.82 -0.95 0.00 0.00 178.83 178.94 1s7x h ILE 142 N 0.00 0.98 -0.26 2.54 2.04 -1.70 -1.22 117.51 119.90 1s7x h ILE 142 Ca -0.00 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1s7x h ILE 142 Cb 0.51 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1s7x h ILE 142 CO 0.04 0.05 0.13 0.74 0.00 0.00 0.00 178.15 179.11 1s7x h THR 143 N -0.21 1.00 -0.94 -0.27 2.02 -1.64 -1.46 112.91 111.43 1s7x h THR 143 Ca -0.01 -0.10 0.10 0.00 0.77 0.00 0.00 66.41 67.18 1s7x h THR 143 Cb 0.17 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.20 1s7x h THR 143 CO 0.02 0.05 0.58 -0.09 0.37 0.00 0.00 175.52 176.45 1s7x h ARG 144 N 0.28 0.92 -0.16 6.66 2.43 -1.10 -0.62 114.38 122.78 1s7x h ARG 144 Ca 0.10 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1s7x h ARG 144 Cb 0.02 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1s7x h ARG 144 CO -0.06 0.61 -0.29 0.00 -1.51 0.00 0.00 179.97 178.71 1s7x h ARG 145 N 0.95 0.49 -0.53 0.20 3.08 -0.98 -1.63 114.38 115.96 1s7x h ARG 145 Ca 0.45 -0.31 0.11 0.00 0.07 0.00 0.00 59.98 60.30 1s7x h ARG 145 Cb 0.40 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 1s7x h ARG 145 CO -0.25 0.91 -0.10 0.87 -1.07 0.00 0.00 179.97 180.33 1s7x h LYS 146 N 0.12 0.02 0.02 0.04 1.57 -0.74 -1.61 116.57 115.99 1s7x h LYS 146 Ca 0.01 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 1s7x h LYS 146 Cb 0.88 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1s7x h LYS 146 CO 0.07 0.02 -0.94 -1.49 -0.57 0.00 0.00 179.45 176.53 1s7x h TRP 147 N 0.02 0.13 -0.23 -1.35 4.06 -1.09 -1.85 115.95 115.65 1s7x h TRP 147 Ca 0.26 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 1s7x h TRP 147 Cb 0.40 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 1s7x h TRP 147 CO -0.42 0.97 -0.00 0.93 -3.56 0.00 0.00 178.44 176.36 1s7x h GLU 148 N 0.04 0.40 0.00 0.49 5.08 -1.15 -1.13 114.58 118.30 1s7x h GLU 148 Ca -0.03 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1s7x h GLU 148 Cb 1.63 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1s7x h GLU 148 CO 0.13 0.59 -0.31 1.96 -1.00 0.00 0.00 179.01 180.38 1s7x h GLN 149 N 0.17 0.00 -0.00 2.33 7.50 -1.18 -3.00 115.11 120.93 1s7x h GLN 149 Ca 0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.21 1s7x h GLN 149 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1s7x h GLN 149 CO 0.01 0.31 -0.53 -1.13 -1.50 0.00 0.00 178.83 176.00 1s7x n SER 150 N -3.97 0.83 -0.59 1.46 3.41 -0.70 -4.96 113.62 109.09 1s7x n SER 150 Ca -0.02 -0.63 -0.05 0.00 -0.26 0.00 0.00 58.87 57.91 1s7x n SER 150 Cb 0.38 0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1s7x n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s7x n GLY 151 N 1.46 0.18 0.36 5.00 0.00 -1.03 -4.96 105.19 106.19 1s7x n GLY 151 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.45 1s7x n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7x h ALA 152 N 0.24 1.50 -0.74 4.61 0.00 -1.49 -2.74 119.26 120.64 1s7x h ALA 152 Ca -0.12 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s7x h ALA 152 Cb 1.09 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1s7x h ALA 152 CO 0.14 0.40 0.48 0.00 0.00 0.00 0.00 179.25 180.26 1s7x h ALA 153 N 1.51 0.96 -0.53 0.00 0.00 -1.90 -2.22 119.26 117.07 1s7x h ALA 153 Ca 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1s7x h ALA 153 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1s7x h ALA 153 CO -0.11 0.30 0.32 0.93 0.00 0.00 0.00 179.25 180.69 1s7x h GLU 154 N 0.95 0.62 0.33 0.00 3.07 -1.73 0.14 114.58 117.96 1s7x h GLU 154 Ca 0.29 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1s7x h GLU 154 Cb -0.04 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 1s7x h GLU 154 CO -0.09 0.41 -0.35 1.25 -1.40 0.00 0.00 179.01 178.83 1s7x h HIS 155 N 0.64 -0.94 -0.80 4.33 -0.00 -1.42 -1.99 115.15 114.97 1s7x h HIS 155 Ca 0.21 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1s7x h HIS 155 Cb 0.02 0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 1s7x h HIS 155 CO -0.06 -0.49 0.46 1.88 -0.00 0.00 0.00 177.93 179.72 1s7x h TYR 156 N -0.71 1.06 -0.93 5.26 0.05 -1.14 -2.39 116.97 118.17 1s7x h TYR 156 Ca -0.02 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.81 1s7x h TYR 156 Cb 0.65 -0.35 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 1s7x h TYR 156 CO -0.21 0.72 0.60 -0.22 -1.05 0.00 0.00 178.16 178.00 1s7x h LYS 157 N 1.10 1.07 -0.52 4.88 3.64 -0.60 -0.09 116.57 126.06 1s7x h LYS 157 Ca 0.28 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1s7x h LYS 157 Cb -0.01 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1s7x h LYS 157 CO -0.05 0.71 0.03 0.00 -2.27 0.00 0.00 179.45 177.87 1s7x h ALA 158 N 1.42 0.69 -0.04 5.00 0.00 -0.88 -0.38 119.26 125.07 1s7x h ALA 158 Ca 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s7x h ALA 158 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s7x h ALA 158 CO -0.16 0.48 0.02 -0.92 0.00 0.00 0.00 179.25 178.67 1s7x h TYR 159 N 0.76 0.05 -0.72 0.00 3.20 -1.03 -0.52 116.97 118.70 1s7x h TYR 159 Ca 0.15 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1s7x h TYR 159 Cb 0.48 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1s7x h TYR 159 CO 0.04 0.13 0.22 -0.07 -1.64 0.00 0.00 178.16 176.84 1s7x h LEU 160 N -0.04 1.06 0.00 2.82 3.38 -0.86 -0.85 115.31 120.81 1s7x h LEU 160 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1s7x h LEU 160 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1s7x h LEU 160 CO -0.00 0.98 -0.23 -0.33 0.09 0.00 0.00 178.44 178.96 1s7x h GLU 161 N 1.08 0.00 0.00 1.13 5.08 -1.08 -3.35 114.58 117.44 1s7x h GLU 161 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1s7x h GLU 161 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1s7x h GLU 161 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1s7x n GLY 162 N 1.23 0.43 0.22 -3.84 0.00 -0.21 -4.62 105.19 98.40 1s7x n GLY 162 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1s7x n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s7x h GLU 163 N 0.00 0.13 -0.61 1.61 5.08 -1.63 -0.73 114.58 118.42 1s7x h GLU 163 Ca 0.00 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1s7x h GLU 163 Cb 0.00 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 1s7x h GLU 163 CO 0.00 0.08 0.19 0.00 -1.00 0.00 0.00 179.01 178.28 1s7x h VAL 165 N 0.34 1.23 0.04 0.00 2.07 -1.59 -2.68 116.25 115.66 1s7x h VAL 165 Ca 0.32 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1s7x h VAL 165 Cb 0.43 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1s7x h VAL 165 CO -0.35 0.26 -0.18 -0.33 0.02 0.00 0.00 177.57 177.00 1s7x h GLU 166 N -0.58 -0.30 -0.00 1.57 3.07 -0.54 -1.16 114.58 116.64 1s7x h GLU 166 Ca -0.01 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.77 1s7x h GLU 166 Cb 0.50 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1s7x h GLU 166 CO 0.01 -0.20 -0.49 -1.49 -1.40 0.00 0.00 179.01 175.44 1s7x h TRP 167 N -0.31 0.01 -0.59 4.33 4.06 -0.06 -2.64 115.95 120.74 1s7x h TRP 167 Ca 0.04 -0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 1s7x h TRP 167 Cb 0.36 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.50 1s7x h TRP 167 CO -0.21 0.50 -0.05 1.25 -3.56 0.00 0.00 178.44 176.37 1s7x h LEU 168 N 0.01 1.06 -0.12 -4.49 5.85 -1.09 -1.79 115.31 114.74 1s7x h LEU 168 Ca -0.00 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1s7x h LEU 168 Cb 0.87 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1s7x h LEU 168 CO 0.06 1.13 -0.01 0.45 -0.34 0.00 0.00 178.44 179.73 1s7x h HIS 169 N 0.96 -0.03 -0.67 1.25 3.86 -0.89 -1.21 115.15 118.42 1s7x h HIS 169 Ca 0.16 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1s7x h HIS 169 Cb 0.62 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 1s7x h HIS 169 CO 0.04 -0.03 0.44 -0.09 0.86 0.00 0.00 177.93 179.15 1s7x h ARG 170 N 0.02 0.76 -0.01 2.45 2.43 -1.38 -2.31 114.38 116.34 1s7x h ARG 170 Ca 0.06 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 1s7x h ARG 170 Cb 0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1s7x h ARG 170 CO -0.11 0.51 -0.79 1.88 -1.51 0.00 0.00 179.97 179.95 1s7x h TYR 171 N 0.79 0.24 -0.30 2.20 0.05 -0.89 -3.22 116.97 115.84 1s7x h TYR 171 Ca 0.27 -0.12 -0.18 0.00 0.05 0.00 0.00 58.73 58.75 1s7x h TYR 171 Cb 0.09 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1s7x h TYR 171 CO -0.00 0.88 -0.51 -0.07 -1.05 0.00 0.00 178.16 177.41 1s7x h LEU 172 N 0.10 0.95 -0.85 3.88 3.38 -0.67 -2.98 115.31 119.11 1s7x h LEU 172 Ca -0.03 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 1s7x h LEU 172 Cb 1.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1s7x h LEU 172 CO 0.12 1.28 0.23 0.11 0.09 0.00 0.00 178.44 180.27 1s7x h LYS 173 N 0.67 1.08 0.12 1.13 1.57 -1.60 -2.85 116.57 116.69 1s7x h LYS 173 Ca 0.02 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1s7x h LYS 173 Cb 1.11 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1s7x h LYS 173 CO 0.11 0.91 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.94 1s7x h ASN 174 N 1.04 -0.14 -2.00 0.86 4.21 -1.53 -3.28 115.58 114.74 1s7x h ASN 174 Ca 0.23 -0.11 -0.64 0.00 1.21 0.00 0.00 56.30 56.99 1s7x h ASN 174 Cb 0.28 0.04 -0.38 0.00 -1.12 0.00 0.00 38.32 37.13 1s7x h ASN 174 CO -0.01 0.03 -0.26 0.61 -1.29 0.00 0.00 177.43 176.52 1s7x n GLY 175 N -0.78 5.81 0.16 2.83 0.00 -1.14 -4.77 105.19 107.30 1s7x n GLY 175 Ca -0.08 -2.72 -0.24 0.00 0.00 0.00 0.00 46.02 42.98 1s7x n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1s7x h ASN 176 N 3.02 0.86 0.00 1.61 -0.73 -1.56 -3.07 115.58 115.70 1s7x h ASN 176 Ca 0.29 -0.88 0.00 0.00 1.87 0.00 0.00 56.30 57.58 1s7x h ASN 176 Cb 0.56 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1s7x h ASN 176 CO 0.95 1.67 0.00 0.00 -0.37 0.00 0.00 177.43 179.68 1s7x n ALA 177 N -2.70 2.47 -0.06 1.57 0.00 -1.26 -3.66 120.51 116.87 1s7x n ALA 177 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1s7x n ALA 177 Cb 1.05 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 1s7x n ALA 177 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s7x n THR 178 N -0.45 0.66 -3.25 0.00 -1.04 -1.21 -4.91 114.28 104.08 1s7x n THR 178 Ca 0.00 -0.21 -0.25 0.00 -2.04 0.00 0.00 64.05 61.55 1s7x n THR 178 Cb 0.02 -1.25 -0.07 0.00 -1.82 0.00 0.00 70.33 67.22 1s7x n THR 178 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s7x n LEU 179 N -3.16 1.64 -3.15 -4.42 -0.00 -1.16 -4.89 117.00 101.86 1s7x n LEU 179 Ca -0.22 -5.02 -0.21 0.00 -0.00 0.00 0.00 56.01 50.56 1s7x n LEU 179 Cb 0.69 0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 44.23 1s7x n LEU 179 CO 0.07 2.10 -0.16 -0.11 -0.00 0.00 0.00 177.39 179.30 1s7x n LEU 180 N 1.03 1.55 -3.73 1.47 7.94 -1.24 -4.93 117.00 119.09 1s7x n LEU 180 Ca 0.25 -5.12 -0.14 0.00 -1.11 0.00 0.00 56.01 49.89 1s7x n LEU 180 Cb 0.50 0.42 -0.09 0.00 0.53 0.00 0.00 43.42 44.78 1s7x n LEU 180 CO 0.27 2.27 0.07 0.00 -1.11 0.00 0.00 177.39 178.89 1s7x s ARG 181 N -2.50 0.62 -0.05 1.96 3.03 -1.26 -5.09 118.95 115.66 1s7x s ARG 181 Ca 0.41 0.12 -0.01 0.00 2.03 0.00 0.00 55.73 58.29 1s7x s ARG 181 Cb 0.31 0.29 0.03 0.00 -1.03 0.00 0.00 34.95 34.54 1s7x s ARG 181 CO -0.09 -0.15 0.01 0.95 -1.13 0.00 0.00 175.30 174.89 1s7x s THR 182 N -0.75 0.25 -0.15 4.99 -4.23 -1.26 -4.92 115.64 109.57 1s7x s THR 182 Ca -0.08 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.38 1s7x s THR 182 Cb -0.04 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1s7x s THR 182 CO 0.03 0.21 0.50 -1.81 -0.54 0.00 0.00 174.62 173.01 1s7x s ASP 183 N 1.60 6.63 0.65 3.99 1.01 -1.03 -4.84 116.67 124.68 1s7x s ASP 183 Ca -0.01 0.76 -0.14 0.00 0.71 0.00 0.00 52.55 53.87 1s7x s ASP 183 Cb -0.13 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1s7x s ASP 183 CO -0.03 -0.08 1.07 -0.44 0.21 0.00 0.00 175.17 175.89 1s7x s SER 184 N 0.86 5.45 0.38 0.27 0.01 -1.26 -1.12 113.70 118.28 1s7x s SER 184 Ca 0.25 1.78 -0.24 0.00 1.31 0.00 0.00 55.95 59.05 1s7x s SER 184 Cb -0.15 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 1s7x s SER 184 CO 0.10 -1.40 0.98 -2.16 0.41 0.00 0.00 173.24 171.17 1s7x s PRO 185 N -4.46 4.34 -0.61 12.44 0.04 -1.26 -4.11 135.00 141.38 1s7x s PRO 185 Ca 0.62 1.34 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1s7x s PRO 185 Cb -0.16 -2.55 0.15 0.00 0.04 0.00 0.00 34.50 31.99 1s7x s PRO 185 CO 0.45 0.05 0.39 0.15 0.04 0.00 0.00 177.00 178.07 1s7x s LYS 186 N -2.50 2.16 0.61 4.56 1.02 -0.98 -4.94 119.74 119.66 1s7x s LYS 186 Ca 0.56 -2.95 -0.10 0.00 0.02 0.00 0.00 55.97 53.49 1s7x s LYS 186 Cb -0.17 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1s7x s LYS 186 CO 0.22 -1.22 1.01 0.00 -0.92 0.00 0.00 175.35 174.45 1s7x s ALA 187 N -0.86 3.11 0.34 5.17 0.00 -1.26 -4.19 121.76 124.07 1s7x s ALA 187 Ca 0.22 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 1s7x s ALA 187 Cb -0.13 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.00 1s7x s ALA 187 CO -0.09 -0.70 0.76 -3.38 0.00 0.00 0.00 175.76 172.35 1s7x s HIS 188 N -3.15 -0.00 0.13 0.00 -3.43 -1.12 -5.02 115.29 102.69 1s7x s HIS 188 Ca 0.55 -0.58 0.10 0.00 -0.80 0.00 0.00 55.06 54.32 1s7x s HIS 188 Cb -0.11 0.78 -0.04 0.00 -1.43 0.00 0.00 32.58 31.78 1s7x s HIS 188 CO 0.53 -1.43 -0.25 0.08 -2.00 0.00 0.00 174.74 171.67 1s7x s VAL 189 N -2.98 2.08 0.47 -5.38 1.01 -1.26 -1.77 120.40 112.57 1s7x s VAL 189 Ca 0.14 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.42 1s7x s VAL 189 Cb -0.05 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1s7x s VAL 189 CO 0.10 0.01 0.05 0.42 0.00 0.00 0.00 175.10 175.68 1s7x s THR 190 N -1.18 0.96 -0.23 3.92 -4.23 -0.91 -4.87 115.64 109.10 1s7x s THR 190 Ca 0.12 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1s7x s THR 190 Cb -0.10 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.61 1s7x s THR 190 CO 0.06 0.00 0.28 -2.28 -0.54 0.00 0.00 174.62 172.14 1s7x s HIS 191 N -3.00 -0.47 -0.49 3.99 2.46 -1.26 -3.20 115.29 113.33 1s7x s HIS 191 Ca 0.13 0.32 0.03 0.00 0.47 0.00 0.00 55.06 56.01 1s7x s HIS 191 Cb 0.02 -0.27 0.13 0.00 -0.13 0.00 0.00 32.58 32.33 1s7x s HIS 191 CO 0.08 -0.70 0.24 -1.01 -2.47 0.00 0.00 174.74 170.89 1s7x s HIS 192 N 2.39 2.77 -0.31 3.88 3.76 -1.25 -4.98 115.29 121.55 1s7x s HIS 192 Ca 0.09 -2.90 -0.29 0.00 -0.15 0.00 0.00 55.06 51.81 1s7x s HIS 192 Cb -0.15 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.03 1s7x s HIS 192 CO -0.17 -0.76 1.59 -1.25 -0.85 0.00 0.00 174.74 173.30 1s7x s PRO 193 N -0.02 3.60 -0.12 8.40 0.04 -1.26 -2.47 135.00 143.17 1s7x s PRO 193 Ca 0.17 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1s7x s PRO 193 Cb -0.25 -4.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 1s7x s PRO 193 CO -0.00 -1.53 -0.12 0.00 0.04 0.00 0.00 177.00 175.39 1s7x h ARG 194 N 11.25 0.00 0.00 4.56 3.08 -1.88 -3.49 114.38 127.90 1s7x h ARG 194 Ca -0.31 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.55 1s7x h ARG 194 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 1s7x h ARG 194 CO 1.04 0.00 -0.14 -1.13 -1.07 0.00 0.00 179.97 178.66 1s7x n SER 195 N -4.47 2.06 -4.71 7.04 3.41 -1.25 -5.07 113.62 110.63 1s7x n SER 195 Ca -0.05 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 1s7x n SER 195 Cb 0.18 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1s7x n SER 195 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s7x s LYS 196 N -2.53 4.29 -1.47 4.33 1.02 -1.26 -2.84 119.74 121.29 1s7x s LYS 196 Ca 0.02 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1s7x s LYS 196 Cb 0.00 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1s7x s LYS 196 CO 0.01 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1s7x n GLY 197 N 3.57 0.93 2.82 -3.33 0.00 -1.26 -4.99 105.19 102.92 1s7x n GLY 197 Ca 0.12 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1s7x n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s7x s GLU 198 N -3.75 0.01 0.05 1.61 0.41 -1.13 -3.68 118.70 112.22 1s7x s GLU 198 Ca 0.00 0.30 0.01 0.00 -0.41 0.00 0.00 54.97 54.88 1s7x s GLU 198 Cb 0.00 -0.26 -0.03 0.00 -1.78 0.00 0.00 34.13 32.06 1s7x s GLU 198 CO 0.00 -0.20 -0.06 0.14 -0.49 0.00 0.00 175.26 174.65 1s7x s VAL 199 N 1.33 0.47 -0.55 2.63 -7.23 -1.12 -2.57 120.40 113.36 1s7x s VAL 199 Ca -0.07 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1s7x s VAL 199 Cb -0.12 -0.91 0.14 0.00 0.56 0.00 0.00 36.38 36.05 1s7x s VAL 199 CO -0.04 -0.59 0.34 0.42 -0.31 0.00 0.00 175.10 174.91 1s7x s THR 200 N -2.23 3.27 -0.36 5.32 -4.23 -1.03 -2.63 115.64 113.75 1s7x s THR 200 Ca -0.04 -2.92 -0.28 0.00 -1.18 0.00 0.00 61.69 57.27 1s7x s THR 200 Cb -0.04 -3.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 1s7x s THR 200 CO -0.02 -0.82 1.72 -0.76 -0.54 0.00 0.00 174.62 174.20 1s7x s LEU 201 N 0.07 3.51 -0.40 4.79 1.43 -1.00 -3.77 118.68 123.30 1s7x s LEU 201 Ca 0.16 1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 1s7x s LEU 201 Cb -0.22 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1s7x s LEU 201 CO -0.03 -1.68 0.41 -0.60 0.23 0.00 0.00 176.35 174.68 1s7x s ARG 202 N 5.57 3.18 -0.69 1.70 3.52 -1.19 -2.83 118.95 128.21 1s7x s ARG 202 Ca 0.75 -0.71 -0.25 0.00 -0.13 0.00 0.00 55.73 55.40 1s7x s ARG 202 Cb -0.20 -3.93 0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1s7x s ARG 202 CO 0.33 -0.78 1.12 0.00 -0.81 0.00 0.00 175.30 175.16 1s7x s TRP 204 N 4.91 3.44 -0.08 0.00 0.52 -0.73 -2.05 118.94 124.95 1s7x s TRP 204 Ca 0.29 1.28 -0.03 0.00 0.02 0.00 0.00 56.10 57.66 1s7x s TRP 204 Cb -0.12 -2.63 0.05 0.00 -1.15 0.00 0.00 33.47 29.62 1s7x s TRP 204 CO 0.13 -0.20 0.16 0.00 0.02 0.00 0.00 176.95 177.06 1s7x s ALA 205 N -2.44 -0.19 0.07 0.98 0.00 -0.26 -2.80 121.76 117.12 1s7x s ALA 205 Ca 0.56 0.59 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1s7x s ALA 205 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1s7x s ALA 205 CO 0.29 -0.50 -0.06 -0.51 0.00 0.00 0.00 175.76 174.98 1s7x s LEU 206 N 2.12 2.44 -1.03 0.00 1.43 -1.26 -1.69 118.68 120.69 1s7x s LEU 206 Ca 0.01 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1s7x s LEU 206 Cb -0.12 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1s7x s LEU 206 CO -0.06 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1s7x n GLY 207 N 0.39 0.62 3.86 -3.19 0.00 -0.98 -2.32 105.19 103.57 1s7x n GLY 207 Ca -0.15 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1s7x n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s7x s PHE 208 N -2.46 3.22 -0.25 1.61 -0.12 -1.17 -4.50 117.98 114.31 1s7x s PHE 208 Ca 0.00 -0.05 -0.18 0.00 -0.05 0.00 0.00 56.93 56.64 1s7x s PHE 208 Cb 0.00 -1.48 0.07 0.00 -0.63 0.00 0.00 43.02 40.98 1s7x s PHE 208 CO 0.00 0.50 0.64 -0.47 -0.05 0.00 0.00 175.22 175.84 1s7x s TYR 209 N -1.99 -0.84 0.66 3.49 5.04 -0.28 -1.31 117.35 122.12 1s7x s TYR 209 Ca 0.33 1.84 -0.11 0.00 -2.44 0.00 0.00 57.07 56.69 1s7x s TYR 209 Cb -0.09 0.40 0.16 0.00 0.35 0.00 0.00 41.96 42.78 1s7x s TYR 209 CO 0.26 -0.41 0.68 -2.30 -1.34 0.00 0.00 175.55 172.43 1s7x n PRO 210 N 3.53 -1.71 -0.00 4.97 -0.02 -1.26 -2.47 135.00 138.04 1s7x n PRO 210 Ca -0.17 -1.07 0.04 0.00 -2.02 0.00 0.00 63.50 60.28 1s7x n PRO 210 Cb 0.57 -0.89 0.42 0.00 -0.02 0.00 0.00 33.50 33.59 1s7x n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s7x h ALA 211 N -2.23 1.71 -2.02 3.55 0.00 -1.95 -3.44 119.26 114.87 1s7x h ALA 211 Ca -0.24 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.04 1s7x h ALA 211 Cb 0.71 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1s7x h ALA 211 CO 0.16 0.27 1.20 -0.25 0.00 0.00 0.00 179.25 180.63 1s7x n ASP 212 N -4.47 3.48 -3.57 0.00 9.92 -1.26 -4.94 116.55 115.71 1s7x n ASP 212 Ca 0.03 0.83 -0.12 0.00 -0.53 0.00 0.00 54.79 55.00 1s7x n ASP 212 Cb 0.06 -1.41 -0.05 0.00 -0.64 0.00 0.00 41.12 39.08 1s7x n ASP 212 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1s7x s ILE 213 N 4.87 0.04 -0.04 0.53 2.07 -1.26 -4.66 121.20 122.76 1s7x s ILE 213 Ca 0.94 -0.31 -0.00 0.00 -1.41 0.00 0.00 60.65 59.87 1s7x s ILE 213 Cb -0.62 -1.03 0.03 0.00 0.13 0.00 0.00 42.46 40.97 1s7x s ILE 213 CO 0.48 -0.17 0.01 -0.89 -1.91 0.00 0.00 174.94 172.46 1s7x s THR 214 N -3.07 0.16 -0.18 4.00 2.01 -1.09 -5.04 115.64 112.44 1s7x s THR 214 Ca -0.02 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1s7x s THR 214 Cb 0.00 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1s7x s THR 214 CO -0.07 0.17 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.21 1s7x s LEU 215 N 1.34 2.97 0.42 4.42 1.02 -1.26 -2.40 118.68 125.18 1s7x s LEU 215 Ca -0.05 -0.30 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1s7x s LEU 215 Cb -0.13 -1.73 -0.05 0.00 0.02 0.00 0.00 46.19 44.30 1s7x s LEU 215 CO -0.02 0.08 0.03 0.42 0.02 0.00 0.00 176.35 176.88 1s7x s THR 216 N 0.91 1.38 0.03 5.49 -4.23 -0.96 -5.00 115.64 113.26 1s7x s THR 216 Ca -0.01 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1s7x s THR 216 Cb -0.15 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1s7x s THR 216 CO 0.01 0.00 -0.07 0.26 -0.54 0.00 0.00 174.62 174.28 1s7x s TRP 217 N -2.95 0.61 0.03 3.99 0.52 -1.26 -1.90 118.94 117.98 1s7x s TRP 217 Ca 0.25 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 56.08 1s7x s TRP 217 Cb 0.06 -0.37 -0.02 0.00 -1.15 0.00 0.00 33.47 31.98 1s7x s TRP 217 CO 0.13 -0.05 -0.19 -0.65 0.02 0.00 0.00 176.95 176.20 1s7x s GLN 218 N -1.07 1.34 -0.76 4.98 1.11 -0.79 -3.71 119.66 120.77 1s7x s GLN 218 Ca -0.06 -0.86 -0.01 0.00 0.01 0.00 0.00 55.36 54.44 1s7x s GLN 218 Cb -0.07 -1.41 0.38 0.00 -1.01 0.00 0.00 33.01 30.90 1s7x s GLN 218 CO 0.00 0.36 1.91 -0.11 0.01 0.00 0.00 175.29 177.46 1s7x n LEU 219 N 2.00 7.20 -3.17 2.90 7.94 -1.26 -2.06 117.00 130.54 1s7x n LEU 219 Ca -0.17 -4.77 -0.23 0.00 -1.11 0.00 0.00 56.01 49.73 1s7x n LEU 219 Cb 0.54 -0.97 0.02 0.00 0.53 0.00 0.00 43.42 43.54 1s7x n LEU 219 CO 0.23 1.77 -0.01 -3.20 -1.11 0.00 0.00 177.39 175.07 1s7x n ASN 220 N -0.61 -5.20 0.00 1.96 4.05 -1.17 -4.91 115.26 109.39 1s7x n ASN 220 Ca 0.54 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 55.23 1s7x n ASN 220 Cb 0.38 -4.22 0.00 0.00 1.23 0.00 0.00 39.78 37.17 1s7x n ASN 220 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s7x n GLY 221 N -1.40 5.01 0.16 8.20 0.00 -1.26 -5.12 105.19 110.78 1s7x n GLY 221 Ca -0.07 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1s7x n GLY 221 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s7x n GLU 222 N 0.00 0.56 -4.41 1.61 1.02 -1.26 -4.95 120.64 113.21 1s7x n GLU 222 Ca 0.00 0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 57.17 1s7x n GLU 222 Cb 0.00 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 1s7x n GLU 222 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1s7x s GLU 223 N -2.57 1.51 -0.30 3.49 -1.05 -1.26 -5.02 118.70 113.50 1s7x s GLU 223 Ca -0.36 -1.71 -0.10 0.00 -0.15 0.00 0.00 54.97 52.66 1s7x s GLU 223 Cb 0.12 -1.36 0.18 0.00 -0.44 0.00 0.00 34.13 32.64 1s7x s GLU 223 CO 0.46 0.19 0.99 -1.17 0.95 0.00 0.00 175.26 176.68 1s7x s LEU 224 N -3.42 -0.58 -0.28 1.83 2.96 -1.24 -4.45 118.68 113.49 1s7x s LEU 224 Ca 0.27 0.20 0.21 0.00 -0.22 0.00 0.00 54.13 54.58 1s7x s LEU 224 Cb -0.01 1.42 0.49 0.00 0.50 0.00 0.00 46.19 48.60 1s7x s LEU 224 CO 0.11 -0.11 1.05 0.35 -1.32 0.00 0.00 176.35 176.43 1s7x n THR 225 N 5.31 1.17 -3.27 3.68 -2.24 -1.26 -4.31 114.28 113.36 1s7x n THR 225 Ca 0.02 -2.97 -0.45 0.00 -2.27 0.00 0.00 64.05 58.37 1s7x n THR 225 Cb 0.55 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1s7x n THR 225 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1s7x s GLN 226 N -3.56 3.99 -0.91 -0.78 0.74 -1.26 -4.25 119.66 113.62 1s7x s GLN 226 Ca 0.27 -2.86 -0.06 0.00 0.05 0.00 0.00 55.36 52.77 1s7x s GLN 226 Cb 0.37 -4.60 0.01 0.00 1.10 0.00 0.00 33.01 29.89 1s7x s GLN 226 CO -0.01 -1.34 0.80 -0.25 -0.55 0.00 0.00 175.29 173.93 1s7x n ASP 227 N 3.60 -4.91 -4.59 6.67 9.92 -1.26 -4.77 116.55 121.21 1s7x n ASP 227 Ca 0.22 -0.36 -0.42 0.00 -0.53 0.00 0.00 54.79 53.70 1s7x n ASP 227 Cb 0.42 -3.55 -0.02 0.00 -0.64 0.00 0.00 41.12 37.33 1s7x n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1s7x s MET 228 N -5.87 3.52 0.45 -1.24 1.75 -1.26 -4.54 119.30 112.11 1s7x s MET 228 Ca 0.39 0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 55.23 1s7x s MET 228 Cb -0.17 -4.03 -0.08 0.00 2.84 0.00 0.00 34.83 33.39 1s7x s MET 228 CO 0.49 -1.65 1.06 -2.00 -0.65 0.00 0.00 175.02 172.27 1s7x s GLU 229 N 5.00 3.92 0.17 4.11 2.12 -0.61 -4.92 118.70 128.49 1s7x s GLU 229 Ca 0.53 1.46 -0.19 0.00 0.36 0.00 0.00 54.97 57.14 1s7x s GLU 229 Cb -0.10 -2.29 0.04 0.00 0.26 0.00 0.00 34.13 32.04 1s7x s GLU 229 CO 0.29 -0.35 0.52 -0.48 -0.54 0.00 0.00 175.26 174.71 1s7x s LEU 230 N -3.13 -0.05 0.17 2.70 0.05 -1.26 -1.37 118.68 115.78 1s7x s LEU 230 Ca 0.64 -0.30 0.10 0.00 0.05 0.00 0.00 54.13 54.61 1s7x s LEU 230 Cb -0.20 2.23 -0.04 0.00 -2.05 0.00 0.00 46.19 46.12 1s7x s LEU 230 CO 0.24 -0.99 -0.16 0.68 -0.55 0.00 0.00 176.35 175.57 1s7x s VAL 231 N -3.82 2.83 0.41 1.48 -7.23 -1.15 -5.04 120.40 107.88 1s7x s VAL 231 Ca 0.05 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 1s7x s VAL 231 Cb -0.00 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.49 1s7x s VAL 231 CO -0.08 -0.06 1.24 -1.61 -0.31 0.00 0.00 175.10 174.28 1s7x s GLU 232 N -2.60 3.96 0.31 4.82 0.41 -1.26 -4.64 118.70 119.70 1s7x s GLU 232 Ca 0.22 2.00 -0.29 0.00 -0.41 0.00 0.00 54.97 56.48 1s7x s GLU 232 Cb -0.09 -2.68 -0.11 0.00 -1.78 0.00 0.00 34.13 29.46 1s7x s GLU 232 CO 0.12 -0.45 1.56 0.99 -0.49 0.00 0.00 175.26 177.00 1s7x s THR 233 N -1.34 2.08 0.01 3.63 2.01 -1.26 -4.91 115.64 115.85 1s7x s THR 233 Ca 0.58 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.67 1s7x s THR 233 Cb -0.34 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 1s7x s THR 233 CO 0.44 0.01 -0.07 0.00 -0.69 0.00 0.00 174.62 174.31 1s7x s ARG 234 N -0.88 0.54 0.09 4.92 1.70 -0.88 -4.99 118.95 119.45 1s7x s ARG 234 Ca 0.61 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 1s7x s ARG 234 Cb -0.47 -0.46 -0.06 0.00 -0.57 0.00 0.00 34.95 33.40 1s7x s ARG 234 CO 0.51 0.11 1.08 -1.25 -1.08 0.00 0.00 175.30 174.68 1s7x s PRO 235 N -0.68 4.55 0.58 3.89 0.04 -1.26 -1.07 135.00 141.05 1s7x s PRO 235 Ca -0.02 1.62 0.30 0.00 0.04 0.00 0.00 61.00 62.94 1s7x s PRO 235 Cb -0.05 -3.36 1.80 0.00 0.04 0.00 0.00 34.50 32.93 1s7x s PRO 235 CO 0.00 -0.04 2.24 0.00 0.04 0.00 0.00 177.00 179.24 1s7x h ALA 236 N 6.11 1.47 0.00 8.56 0.00 -1.40 -3.47 119.26 130.54 1s7x h ALA 236 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1s7x h ALA 236 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1s7x h ALA 236 CO 0.76 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1s7x n GLY 237 N -1.22 0.23 0.87 0.00 0.00 -1.26 -4.94 105.19 98.87 1s7x n GLY 237 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1s7x n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s7x n ASP 238 N 0.00 3.70 0.00 1.61 5.75 -1.26 -4.94 116.55 121.41 1s7x n ASP 238 Ca 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.07 1s7x n ASP 238 Cb 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1s7x n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s7x n GLY 239 N -0.13 3.34 3.96 6.12 0.00 -1.26 -5.07 105.19 112.14 1s7x n GLY 239 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1s7x n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s7x s THR 240 N -2.83 2.79 0.26 2.61 -4.23 -1.26 -4.87 115.64 108.10 1s7x s THR 240 Ca 0.00 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 1s7x s THR 240 Cb 0.00 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 1s7x s THR 240 CO 0.00 0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.63 1s7x s PHE 241 N -2.43 1.91 0.08 3.99 0.40 -0.43 -1.03 117.98 120.48 1s7x s PHE 241 Ca 0.52 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1s7x s PHE 241 Cb -0.07 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 1s7x s PHE 241 CO 0.31 0.33 -0.12 -0.65 0.70 0.00 0.00 175.22 175.79 1s7x s GLN 242 N -3.69 0.79 -0.14 0.44 -0.21 -0.23 -2.32 119.66 114.30 1s7x s GLN 242 Ca 0.28 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.36 1s7x s GLN 242 Cb 0.02 -0.66 0.10 0.00 1.00 0.00 0.00 33.01 33.47 1s7x s GLN 242 CO 0.11 0.13 0.83 0.21 -2.12 0.00 0.00 175.29 174.45 1s7x s LYS 243 N -2.09 0.82 0.09 2.91 2.20 -0.68 -2.06 119.74 120.92 1s7x s LYS 243 Ca -0.00 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1s7x s LYS 243 Cb -0.08 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1s7x s LYS 243 CO 0.01 -0.23 -0.09 1.67 -0.36 0.00 0.00 175.35 176.36 1s7x s TRP 244 N -0.84 0.97 -0.17 4.03 1.48 -1.26 -1.10 118.94 122.04 1s7x s TRP 244 Ca -0.05 -0.71 -0.05 0.00 -1.06 0.00 0.00 56.10 54.24 1s7x s TRP 244 Cb -0.01 -0.54 0.07 0.00 -1.16 0.00 0.00 33.47 31.83 1s7x s TRP 244 CO 0.04 -0.05 0.13 0.00 -4.06 0.00 0.00 176.95 173.02 1s7x s ALA 245 N -2.64 0.18 0.46 2.67 0.00 -0.87 -2.92 121.76 118.65 1s7x s ALA 245 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.01 1s7x s ALA 245 Cb -0.02 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1s7x s ALA 245 CO -0.01 -1.14 0.49 -1.54 0.00 0.00 0.00 175.76 173.56 1s7x s SER 246 N 2.20 5.12 0.13 0.00 1.04 -0.47 -2.06 113.70 119.66 1s7x s SER 246 Ca 0.04 -0.77 -0.25 0.00 0.48 0.00 0.00 55.95 55.44 1s7x s SER 246 Cb -0.16 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.75 1s7x s SER 246 CO -0.10 -0.87 0.78 0.54 0.98 0.00 0.00 173.24 174.58 1s7x s VAL 247 N -2.53 0.00 -0.19 5.02 0.11 -1.13 -1.58 120.40 120.10 1s7x s VAL 247 Ca 0.50 -0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 59.16 1s7x s VAL 247 Cb -0.05 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1s7x s VAL 247 CO 0.30 0.00 0.12 0.68 -3.33 0.00 0.00 175.10 172.87 1s7x s VAL 248 N -3.49 5.33 -0.12 2.04 -7.23 -1.26 -2.39 120.40 113.29 1s7x s VAL 248 Ca 0.06 0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 60.30 1s7x s VAL 248 Cb -0.02 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.53 1s7x s VAL 248 CO -0.06 0.45 0.30 -0.69 -0.31 0.00 0.00 175.10 174.79 1s7x s VAL 249 N 0.30 -0.01 0.32 1.32 1.01 -1.08 -5.04 120.40 117.23 1s7x s VAL 249 Ca 0.08 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 1s7x s VAL 249 Cb -0.11 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 1s7x s VAL 249 CO -0.01 0.01 1.18 -2.16 0.00 0.00 0.00 175.10 174.12 1s7x s PRO 250 N 0.45 4.43 -0.22 2.72 0.04 -1.26 -2.81 135.00 138.35 1s7x s PRO 250 Ca -0.02 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 1s7x s PRO 250 Cb -0.04 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1s7x s PRO 250 CO -0.02 -0.03 1.52 -1.17 0.04 0.00 0.00 177.00 177.34 1s7x s LEU 251 N -1.77 3.95 0.00 -3.56 0.20 -1.24 -3.42 118.68 112.83 1s7x s LEU 251 Ca 0.48 1.58 0.00 0.00 0.69 0.00 0.00 54.13 56.88 1s7x s LEU 251 Cb -0.34 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.88 1s7x s LEU 251 CO 0.45 -1.15 0.00 0.61 -0.29 0.00 0.00 176.35 175.96 1s7x n GLY 252 N 4.46 1.74 3.14 7.98 0.00 -1.26 -4.97 105.19 116.28 1s7x n GLY 252 Ca 0.17 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1s7x n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s7x n LYS 253 N 0.00 3.43 0.00 1.61 4.76 -1.22 -4.36 118.16 122.38 1s7x n LYS 253 Ca 0.00 -3.55 0.00 0.00 -2.87 0.00 0.00 58.31 51.89 1s7x n LYS 253 Cb 0.00 -3.05 0.00 0.00 -1.84 0.00 0.00 35.03 30.14 1s7x n LYS 253 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1s7x n GLU 254 N 5.12 4.41 0.04 1.97 0.28 -1.26 -4.53 120.64 126.68 1s7x n GLU 254 Ca 0.40 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.34 1s7x n GLU 254 Cb 0.40 -0.38 0.11 0.00 1.43 0.00 0.00 31.44 33.00 1s7x n GLU 254 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1s7x h GLN 255 N 0.00 0.40 0.00 3.44 1.08 -1.93 -3.10 115.11 115.00 1s7x h GLN 255 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1s7x h GLN 255 Cb 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1s7x h GLN 255 CO 0.00 0.83 0.00 0.27 -0.95 0.00 0.00 178.83 178.98 1s7x n ASN 256 N -3.95 0.70 -4.68 1.46 0.23 -1.26 -4.67 115.26 103.09 1s7x n ASN 256 Ca -0.02 0.68 -0.42 0.00 -0.53 0.00 0.00 54.58 54.28 1s7x n ASN 256 Cb 0.58 -0.83 -0.03 0.00 -2.08 0.00 0.00 39.78 37.42 1s7x n ASN 256 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1s7x s TYR 257 N -3.35 3.12 -0.27 -2.53 2.02 -1.17 -3.01 117.35 112.15 1s7x s TYR 257 Ca 0.04 1.17 0.01 0.00 -0.37 0.00 0.00 57.07 57.92 1s7x s TYR 257 Cb 0.09 -3.44 0.08 0.00 -0.40 0.00 0.00 41.96 38.29 1s7x s TYR 257 CO 0.39 -1.38 -0.00 0.99 -1.57 0.00 0.00 175.55 173.97 1s7x s THR 258 N 2.49 1.60 0.60 -0.71 2.01 -0.88 -4.65 115.64 116.11 1s7x s THR 258 Ca 0.55 -1.53 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 1s7x s THR 258 Cb -0.24 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 1s7x s THR 258 CO 0.20 -0.33 1.15 0.00 -0.69 0.00 0.00 174.62 174.95 1s7x s ARG 260 N -3.58 0.68 -0.11 0.00 0.52 -0.80 -2.34 118.95 113.33 1s7x s ARG 260 Ca 0.72 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1s7x s ARG 260 Cb -0.25 -0.60 0.02 0.00 0.52 0.00 0.00 34.95 34.65 1s7x s ARG 260 CO 0.34 0.14 -0.10 0.08 0.02 0.00 0.00 175.30 175.78 1s7x s VAL 261 N -0.96 1.15 -0.13 3.52 1.01 -0.92 -2.27 120.40 121.80 1s7x s VAL 261 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1s7x s VAL 261 Cb -0.08 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1s7x s VAL 261 CO 0.01 0.38 -0.18 -0.31 0.00 0.00 0.00 175.10 175.00 1s7x s TYR 262 N 1.41 2.72 -0.26 5.22 1.51 -1.01 -2.08 117.35 124.85 1s7x s TYR 262 Ca -0.00 -0.94 -0.26 0.00 -1.01 0.00 0.00 57.07 54.86 1s7x s TYR 262 Cb -0.13 -1.82 0.11 0.00 -0.11 0.00 0.00 41.96 40.01 1s7x s TYR 262 CO -0.06 -0.39 0.93 -1.58 -1.11 0.00 0.00 175.55 173.35 1s7x s HIS 263 N 0.53 -0.56 0.62 2.71 2.46 -1.26 -2.68 115.29 117.11 1s7x s HIS 263 Ca -0.11 1.33 0.34 0.00 0.47 0.00 0.00 55.06 57.09 1s7x s HIS 263 Cb -0.16 0.34 1.92 0.00 -0.13 0.00 0.00 32.58 34.55 1s7x s HIS 263 CO 0.04 -0.29 2.19 1.05 -2.47 0.00 0.00 174.74 175.26 1s7x h GLU 264 N 4.26 0.00 0.11 2.88 4.11 -1.93 -2.42 114.58 121.59 1s7x h GLU 264 Ca -0.28 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.86 1s7x h GLU 264 Cb 1.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.45 1s7x h GLU 264 CO 0.12 0.00 -1.24 0.78 0.07 0.00 0.00 179.01 178.74 1s7x h GLY 265 N 0.00 0.70 -5.20 1.06 0.00 -1.86 -3.46 103.07 94.31 1s7x h GLY 265 Ca 0.03 -1.45 -0.66 0.00 0.00 0.00 0.00 47.33 45.24 1s7x h GLY 265 CO -0.00 1.28 0.33 1.04 0.00 0.00 0.00 176.54 179.19 1s7x n LEU 266 N -3.79 1.55 -0.17 3.11 4.32 -0.91 -4.85 117.00 116.25 1s7x n LEU 266 Ca -0.13 1.13 -0.07 0.00 -0.02 0.00 0.00 56.01 56.92 1s7x n LEU 266 Cb 0.98 -1.20 0.08 0.00 -1.62 0.00 0.00 43.42 41.66 1s7x n LEU 266 CO 0.58 -1.22 0.85 1.55 -1.22 0.00 0.00 177.39 177.93 1s7x h PRO 267 N 3.79 0.97 -3.83 3.23 0.13 -1.89 -3.45 132.00 130.95 1s7x h PRO 267 Ca -0.45 -0.29 -0.10 0.00 -0.87 0.00 0.00 66.00 64.29 1s7x h PRO 267 Cb 1.34 -0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 1s7x h PRO 267 CO 0.73 0.95 -0.43 -1.83 -0.23 0.00 0.00 178.00 177.19 1s7x s GLU 268 N -5.01 0.77 0.19 0.86 -1.05 -1.26 -5.14 118.70 108.05 1s7x s GLU 268 Ca -0.11 -0.93 -0.33 0.00 -0.15 0.00 0.00 54.97 53.45 1s7x s GLU 268 Cb 0.14 0.31 -0.14 0.00 -0.44 0.00 0.00 34.13 33.99 1s7x s GLU 268 CO 0.84 -0.23 1.39 -2.30 0.95 0.00 0.00 175.26 175.92 1s7x n PRO 269 N 0.14 1.77 -2.39 -4.83 -0.02 -1.26 -4.96 135.00 123.45 1s7x n PRO 269 Ca -0.16 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 1s7x n PRO 269 Cb 0.61 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1s7x n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s7x s LEU 270 N 0.46 3.98 -0.32 2.45 1.43 -0.88 -4.87 118.68 120.92 1s7x s LEU 270 Ca 0.74 2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 55.97 1s7x s LEU 270 Cb -0.74 -4.33 0.11 0.00 0.03 0.00 0.00 46.19 41.26 1s7x s LEU 270 CO 0.47 -0.81 0.14 -0.89 0.23 0.00 0.00 176.35 175.49 1s7x s THR 271 N -1.69 0.50 0.25 5.49 2.01 -1.26 -2.17 115.64 118.77 1s7x s THR 271 Ca 0.64 -1.34 0.05 0.00 0.31 0.00 0.00 61.69 61.35 1s7x s THR 271 Cb -0.24 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1s7x s THR 271 CO 0.29 -0.76 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.66 1s7x s LEU 272 N 1.58 2.35 0.00 4.42 1.43 -0.99 -5.00 118.68 122.47 1s7x s LEU 272 Ca 0.11 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 1s7x s LEU 272 Cb -0.18 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.60 1s7x s LEU 272 CO -0.23 -0.42 0.27 -2.11 0.23 0.00 0.00 176.35 174.09 1s7x n ARG 273 N -0.47 0.39 -1.85 1.70 0.00 -1.26 -1.45 116.66 113.71 1s7x n ARG 273 Ca -0.06 -1.35 -0.42 0.00 -0.00 0.00 0.00 57.85 56.03 1s7x n ARG 273 Cb 0.63 1.35 -0.02 0.00 -0.00 0.00 0.00 32.46 34.42 1s7x n ARG 273 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 1s7x s TRP 274 N -4.24 2.89 -0.32 2.89 -0.00 -1.26 -4.64 118.94 114.25 1s7x s TRP 274 Ca 0.13 0.74 0.02 0.00 -0.00 0.00 0.00 56.10 57.00 1s7x s TRP 274 Cb -0.01 -4.00 0.08 0.00 -0.00 0.00 0.00 33.47 29.54 1s7x s TRP 274 CO 0.10 -3.47 0.01 -1.21 -0.00 0.00 0.00 176.95 172.38 1s7x s GLU 275 N 0.06 1.93 0.00 5.86 2.02 -1.26 -4.96 118.70 122.34 1s7x s GLU 275 Ca 0.65 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1s7x s GLU 275 Cb -0.46 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1s7x s GLU 275 CO 0.42 -0.80 0.24 -2.30 0.02 0.00 0.00 175.26 172.84