#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx7 s SER 2 N 0.00 6.56 0.04 1.61 0.01 -1.26 -3.14 113.70 117.52 3dx7 s SER 2 Ca 0.00 0.75 -0.01 0.00 1.31 0.00 0.00 55.95 58.00 3dx7 s SER 2 Cb 0.00 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 3dx7 s SER 2 CO 0.00 -0.01 -0.01 -1.00 0.41 0.00 0.00 173.24 172.63 3dx7 s HIS 3 N -1.73 0.43 0.08 2.43 0.09 -0.69 -5.01 115.29 110.89 3dx7 s HIS 3 Ca 0.44 -0.90 0.04 0.00 -0.00 0.00 0.00 55.06 54.64 3dx7 s HIS 3 Cb -0.12 -0.32 -0.03 0.00 -0.00 0.00 0.00 32.58 32.11 3dx7 s HIS 3 CO 0.23 -0.34 -0.11 -1.54 -0.00 0.00 0.00 174.74 172.97 3dx7 s SER 4 N -2.55 1.45 -0.05 1.40 1.04 -1.26 -0.71 113.70 113.01 3dx7 s SER 4 Ca 0.01 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.78 3dx7 s SER 4 Cb 0.03 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.15 3dx7 s SER 4 CO -0.08 -0.18 -0.12 -0.32 0.98 0.00 0.00 173.24 173.52 3dx7 s MET 5 N -2.18 1.48 -0.01 4.02 -2.45 -0.31 -0.70 119.30 119.15 3dx7 s MET 5 Ca 0.00 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 3dx7 s MET 5 Cb -0.07 -1.28 0.01 0.00 1.25 0.00 0.00 34.83 34.74 3dx7 s MET 5 CO 0.01 0.09 -0.01 1.03 1.05 0.00 0.00 175.02 177.19 3dx7 s ARG 6 N 0.42 0.15 -0.06 4.11 1.81 -0.28 -1.80 118.95 123.31 3dx7 s ARG 6 Ca -0.09 -0.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.93 3dx7 s ARG 6 Cb -0.13 -0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.12 3dx7 s ARG 6 CO 0.02 -0.02 -0.10 0.71 -0.68 0.00 0.00 175.30 175.23 3dx7 s TYR 7 N 0.30 2.84 -0.14 -0.53 1.51 0.04 -0.52 117.35 120.86 3dx7 s TYR 7 Ca -0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 3dx7 s TYR 7 Cb -0.05 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3dx7 s TYR 7 CO -0.01 0.28 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.53 3dx7 s PHE 8 N -0.79 1.94 -0.09 2.71 0.40 -0.06 -1.77 117.98 120.31 3dx7 s PHE 8 Ca 0.12 -1.06 -0.03 0.00 -0.60 0.00 0.00 56.93 55.37 3dx7 s PHE 8 Cb -0.11 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 3dx7 s PHE 8 CO 0.01 -0.61 0.03 0.71 0.70 0.00 0.00 175.22 176.06 3dx7 s TYR 9 N 1.54 3.26 -0.10 0.36 1.51 0.32 -1.66 117.35 122.57 3dx7 s TYR 9 Ca 0.05 0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 56.37 3dx7 s TYR 9 Cb -0.13 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 3dx7 s TYR 9 CO -0.10 0.53 -0.07 0.99 -1.11 0.00 0.00 175.55 175.80 3dx7 s THR 10 N -0.92 0.91 -0.17 -0.71 2.01 -0.30 -1.92 115.64 114.54 3dx7 s THR 10 Ca 0.14 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.92 3dx7 s THR 10 Cb -0.11 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.46 3dx7 s THR 10 CO 0.03 0.34 -0.17 0.00 -0.69 0.00 0.00 174.62 174.13 3dx7 s ALA 11 N 1.65 2.42 -0.15 7.40 0.00 0.27 -1.11 121.76 132.24 3dx7 s ALA 11 Ca 0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3dx7 s ALA 11 Cb -0.13 -1.21 0.04 0.00 0.00 0.00 0.00 23.12 21.83 3dx7 s ALA 11 CO -0.07 -0.17 -0.03 1.41 0.00 0.00 0.00 175.76 176.91 3dx7 s MET 12 N 1.03 1.16 0.59 0.00 1.75 0.01 -0.97 119.30 122.86 3dx7 s MET 12 Ca -0.01 -0.39 -0.14 0.00 -1.25 0.00 0.00 55.69 53.89 3dx7 s MET 12 Cb -0.15 -1.85 -0.04 0.00 2.84 0.00 0.00 34.83 35.63 3dx7 s MET 12 CO -0.05 -0.45 1.03 -1.54 -0.65 0.00 0.00 175.02 173.36 3dx7 s SER 13 N 1.73 6.11 -0.47 1.11 1.04 -0.28 -1.23 113.70 121.71 3dx7 s SER 13 Ca 0.01 1.60 0.06 0.00 0.48 0.00 0.00 55.95 58.10 3dx7 s SER 13 Cb -0.15 -2.50 0.23 0.00 0.10 0.00 0.00 66.02 63.69 3dx7 s SER 13 CO -0.07 -0.94 0.74 -2.11 0.98 0.00 0.00 173.24 171.84 3dx7 n ARG 14 N -2.25 0.67 -1.64 4.02 1.85 -1.26 -3.93 116.66 114.11 3dx7 n ARG 14 Ca 0.07 -2.19 -0.47 0.00 -1.00 0.00 0.00 57.85 54.27 3dx7 n ARG 14 Cb 0.54 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 30.47 3dx7 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dx7 n PRO 15 N 1.97 1.79 -0.12 2.89 -0.02 -1.26 -0.70 135.00 139.55 3dx7 n PRO 15 Ca 0.15 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3dx7 n PRO 15 Cb 0.58 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3dx7 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx7 n GLY 16 N 2.54 1.65 1.96 -1.23 0.00 -1.26 -4.87 105.19 103.98 3dx7 n GLY 16 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3dx7 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dx7 n ARG 17 N -2.00 2.35 0.00 1.61 1.74 0.13 -5.11 116.66 115.38 3dx7 n ARG 17 Ca 0.00 -3.60 0.00 0.00 -0.77 0.00 0.00 57.85 53.48 3dx7 n ARG 17 Cb 0.00 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 3dx7 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dx7 n GLY 18 N -0.62 -1.88 3.85 -0.13 0.00 -1.25 -4.91 105.19 100.26 3dx7 n GLY 18 Ca 0.25 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 3dx7 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx7 s GLU 19 N 0.00 3.88 0.27 1.61 0.41 -1.26 -4.52 118.70 119.09 3dx7 s GLU 19 Ca 0.00 0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 55.17 3dx7 s GLU 19 Cb 0.00 -2.13 -0.14 0.00 -1.78 0.00 0.00 34.13 30.08 3dx7 s GLU 19 CO 0.00 -0.31 1.25 -2.30 -0.49 0.00 0.00 175.26 173.41 3dx7 n PRO 20 N -1.77 1.77 -2.76 0.39 -0.02 -1.26 -4.81 135.00 126.53 3dx7 n PRO 20 Ca 0.06 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 3dx7 n PRO 20 Cb 0.54 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 3dx7 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3dx7 s ARG 21 N -1.02 4.70 -0.10 -0.52 3.52 -0.36 -4.82 118.95 120.35 3dx7 s ARG 21 Ca 0.64 1.40 0.01 0.00 -0.13 0.00 0.00 55.73 57.64 3dx7 s ARG 21 Cb -0.67 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 3dx7 s ARG 21 CO 0.55 0.38 -0.10 0.12 -0.81 0.00 0.00 175.30 175.44 3dx7 s PHE 22 N -1.43 1.52 -0.04 5.12 5.36 -1.26 -0.81 117.98 126.44 3dx7 s PHE 22 Ca 0.46 -0.69 0.05 0.00 -0.96 0.00 0.00 56.93 55.79 3dx7 s PHE 22 Cb -0.22 -1.19 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 3dx7 s PHE 22 CO 0.27 -0.43 -0.18 0.42 -1.46 0.00 0.00 175.22 173.84 3dx7 s ILE 23 N 1.28 1.52 -0.05 3.12 1.01 -0.26 -1.03 121.20 126.79 3dx7 s ILE 23 Ca -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3dx7 s ILE 23 Cb -0.14 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 3dx7 s ILE 23 CO -0.04 0.43 -0.19 -0.89 0.00 0.00 0.00 174.94 174.26 3dx7 s THR 24 N -0.09 1.56 0.03 2.92 2.01 -0.36 -1.15 115.64 120.56 3dx7 s THR 24 Ca -0.01 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.26 3dx7 s THR 24 Cb -0.11 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 3dx7 s THR 24 CO 0.02 0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 174.90 3dx7 s VAL 25 N -0.00 1.36 -0.03 3.82 -7.23 -0.67 -0.60 120.40 117.05 3dx7 s VAL 25 Ca -0.04 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.18 3dx7 s VAL 25 Cb -0.12 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 3dx7 s VAL 25 CO 0.02 0.16 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.95 3dx7 s GLY 26 N -0.99 1.43 0.02 2.32 0.00 -0.32 -0.88 107.32 108.90 3dx7 s GLY 26 Ca 0.05 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.78 3dx7 s GLY 26 CO 0.01 -0.85 -0.18 -0.19 0.00 0.00 0.00 173.10 171.88 3dx7 s TYR 27 N -0.69 1.63 -0.20 1.90 2.02 0.32 -0.76 117.35 121.56 3dx7 s TYR 27 Ca 0.11 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3dx7 s TYR 27 Cb -0.10 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 3dx7 s TYR 27 CO 0.00 0.04 -0.02 0.08 -1.57 0.00 0.00 175.55 174.08 3dx7 s VAL 28 N -0.69 3.70 0.00 0.71 1.01 -0.53 -1.13 120.40 123.48 3dx7 s VAL 28 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3dx7 s VAL 28 Cb -0.08 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3dx7 s VAL 28 CO 0.01 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.01 3dx7 n ASP 29 N 4.38 0.00 -2.04 3.32 8.00 0.13 -0.94 116.55 129.40 3dx7 n ASP 29 Ca -0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 3dx7 n ASP 29 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.88 3dx7 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dx7 n ASP 30 N 3.27 4.39 -4.19 -2.24 8.00 -1.26 -4.89 116.55 119.63 3dx7 n ASP 30 Ca 0.00 -3.37 -0.34 0.00 0.71 0.00 0.00 54.79 51.78 3dx7 n ASP 30 Cb 0.00 -0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 3dx7 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dx7 s THR 31 N -3.11 2.86 0.12 -3.53 2.01 -0.12 -5.01 115.64 108.87 3dx7 s THR 31 Ca 0.55 -1.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 3dx7 s THR 31 Cb 0.45 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.40 3dx7 s THR 31 CO 0.12 0.16 1.46 -0.22 -0.69 0.00 0.00 174.62 175.45 3dx7 s LEU 32 N 1.31 4.37 0.00 4.42 2.96 -1.26 -1.45 118.68 129.03 3dx7 s LEU 32 Ca -0.01 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 3dx7 s LEU 32 Cb -0.17 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3dx7 s LEU 32 CO -0.04 -0.72 0.00 2.22 -1.32 0.00 0.00 176.35 176.49 3dx7 n PHE 33 N 4.07 0.00 -3.75 5.38 1.16 0.06 -4.12 117.46 120.25 3dx7 n PHE 33 Ca 0.12 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.57 3dx7 n PHE 33 Cb 0.41 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.19 3dx7 n PHE 33 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3dx7 s VAL 34 N -1.48 0.05 0.06 1.97 1.01 -1.21 -0.45 120.40 120.35 3dx7 s VAL 34 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3dx7 s VAL 34 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3dx7 s VAL 34 CO 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 175.10 174.96 3dx7 s ARG 35 N -1.21 0.69 -0.10 2.72 1.04 -0.78 -1.17 118.95 120.14 3dx7 s ARG 35 Ca -0.12 -0.98 -0.08 0.00 -1.04 0.00 0.00 55.73 53.51 3dx7 s ARG 35 Cb -0.05 0.27 0.03 0.00 -2.04 0.00 0.00 34.95 33.16 3dx7 s ARG 35 CO 0.04 -0.18 0.26 0.12 -0.04 0.00 0.00 175.30 175.51 3dx7 s PHE 36 N -3.49 -0.31 -0.09 5.89 5.36 0.23 -0.76 117.98 124.82 3dx7 s PHE 36 Ca 0.02 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 56.71 3dx7 s PHE 36 Cb 0.04 0.09 0.04 0.00 -0.34 0.00 0.00 43.02 42.85 3dx7 s PHE 36 CO -0.09 -0.17 0.07 0.34 -1.46 0.00 0.00 175.22 173.92 3dx7 s ASP 37 N 0.43 1.57 0.64 6.13 -1.08 -1.26 -1.22 116.67 121.88 3dx7 s ASP 37 Ca -0.02 -0.17 0.42 0.00 -0.52 0.00 0.00 52.55 52.27 3dx7 s ASP 37 Cb -0.04 -0.18 2.22 0.00 -1.46 0.00 0.00 42.92 43.46 3dx7 s ASP 37 CO -0.02 -0.29 2.29 0.77 0.52 0.00 0.00 175.17 178.45 3dx7 h SER 38 N 8.43 0.00 0.63 -0.34 4.64 -1.48 -1.41 113.55 124.02 3dx7 h SER 38 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3dx7 h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3dx7 h SER 38 CO 0.20 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.63 3dx7 n ASP 39 N -3.08 0.00 -4.54 4.97 8.00 -1.26 -4.82 116.55 115.82 3dx7 n ASP 39 Ca -0.02 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.19 3dx7 n ASP 39 Cb 0.12 -0.33 0.19 0.00 -0.02 0.00 0.00 41.12 41.08 3dx7 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx7 s ALA 40 N -2.66 0.95 0.00 2.24 0.00 -0.53 -4.98 121.76 116.78 3dx7 s ALA 40 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3dx7 s ALA 40 Cb 0.19 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3dx7 s ALA 40 CO 0.45 -2.94 0.01 0.25 0.00 0.00 0.00 175.76 173.53 3dx7 n THR 41 N -4.25 0.00 -1.30 0.00 -2.24 -1.26 -3.66 114.28 101.56 3dx7 n THR 41 Ca 0.07 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3dx7 n THR 41 Cb 0.58 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3dx7 n THR 41 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3dx7 n SER 42 N -0.07 -0.70 -4.69 3.42 2.88 -1.26 -5.14 113.62 108.06 3dx7 n SER 42 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 3dx7 n SER 42 Cb 0.00 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 3dx7 n SER 42 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3dx7 s PRO 43 N -2.94 4.22 0.11 -1.46 0.02 -1.24 -4.98 135.00 128.73 3dx7 s PRO 43 Ca 0.00 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.13 3dx7 s PRO 43 Cb 0.00 -3.57 0.02 0.00 0.02 0.00 0.00 34.50 30.98 3dx7 s PRO 43 CO 0.00 -0.69 0.33 -0.98 -0.33 0.00 0.00 177.00 175.33 3dx7 s ARG 44 N 2.49 0.99 0.12 5.54 1.70 -1.26 -5.02 118.95 123.50 3dx7 s ARG 44 Ca 0.71 -0.79 -0.31 0.00 -0.47 0.00 0.00 55.73 54.87 3dx7 s ARG 44 Cb -0.38 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.34 3dx7 s ARG 44 CO 0.31 -0.37 1.46 0.15 -1.08 0.00 0.00 175.30 175.77 3dx7 s LYS 45 N -3.82 4.28 -0.02 3.89 -0.14 -1.26 -4.49 119.74 118.19 3dx7 s LYS 45 Ca 0.04 2.16 0.07 0.00 -1.36 0.00 0.00 55.97 56.88 3dx7 s LYS 45 Cb 0.03 -3.26 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 3dx7 s LYS 45 CO -0.12 -0.51 -0.22 -1.21 -0.76 0.00 0.00 175.35 172.53 3dx7 s GLU 46 N 1.27 1.82 0.38 1.68 2.02 0.06 -4.92 118.70 121.01 3dx7 s GLU 46 Ca 0.67 -0.81 -0.26 0.00 0.02 0.00 0.00 54.97 54.58 3dx7 s GLU 46 Cb -0.39 -1.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 3dx7 s GLU 46 CO 0.30 0.48 1.21 -1.25 0.02 0.00 0.00 175.26 176.03 3dx7 s PRO 47 N -0.54 4.16 0.00 0.39 0.04 -1.26 -1.86 135.00 135.92 3dx7 s PRO 47 Ca 0.09 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3dx7 s PRO 47 Cb -0.09 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3dx7 s PRO 47 CO -0.01 -0.27 0.57 0.54 0.04 0.00 0.00 177.00 177.87 3dx7 n ARG 48 N 0.34 0.69 -4.03 4.56 5.12 0.40 -4.89 116.66 118.85 3dx7 n ARG 48 Ca 0.03 -0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 55.09 3dx7 n ARG 48 Cb 0.45 -0.79 -0.13 0.00 -1.16 0.00 0.00 32.46 30.82 3dx7 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dx7 s ALA 49 N -0.32 0.29 0.32 7.54 0.00 -1.23 -4.69 121.76 123.67 3dx7 s ALA 49 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3dx7 s ALA 49 Cb 0.00 -0.01 0.53 0.00 0.00 0.00 0.00 23.12 23.64 3dx7 s ALA 49 CO 0.00 0.01 1.98 -1.00 0.00 0.00 0.00 175.76 176.76 3dx7 h PRO 50 N 5.57 0.97 0.00 0.00 0.13 -1.95 -2.70 132.00 134.02 3dx7 h PRO 50 Ca -0.29 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3dx7 h PRO 50 Cb 1.20 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3dx7 h PRO 50 CO 0.47 0.64 0.00 0.11 -0.23 0.00 0.00 178.00 179.00 3dx7 h TRP 51 N 1.00 0.00 0.00 1.56 5.08 -1.97 -1.96 115.95 119.66 3dx7 h TRP 51 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.25 3dx7 h TRP 51 Cb -0.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.08 3dx7 h TRP 51 CO -0.00 0.00 -0.39 0.97 -1.28 0.00 0.00 178.44 177.74 3dx7 h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.83 -3.31 117.51 118.59 3dx7 h ILE 52 Ca 0.00 -0.76 0.00 0.00 -1.37 0.00 0.00 64.86 62.73 3dx7 h ILE 52 Cb 0.35 1.54 0.00 0.00 0.47 0.00 0.00 36.82 39.18 3dx7 h ILE 52 CO 0.00 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 174.75 3dx7 h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.44 -1.93 114.58 118.48 3dx7 h GLU 53 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dx7 h GLU 53 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3dx7 h GLU 53 CO 0.00 0.00 -0.09 1.96 -1.00 0.00 0.00 179.01 179.88 3dx7 h GLN 54 N 0.00 0.00 -6.90 2.33 4.20 -1.73 -3.44 115.11 109.57 3dx7 h GLN 54 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3dx7 h GLN 54 Cb 0.12 0.00 0.07 0.00 0.30 0.00 0.00 27.48 27.97 3dx7 h GLN 54 CO 0.00 0.09 0.61 -1.21 -0.67 0.00 0.00 178.83 177.65 3dx7 s GLU 55 N -4.10 4.24 0.98 1.46 0.41 -0.73 -5.01 118.70 115.94 3dx7 s GLU 55 Ca -0.02 2.13 -0.16 0.00 -0.41 0.00 0.00 54.97 56.50 3dx7 s GLU 55 Cb 0.12 -2.95 0.20 0.00 -1.78 0.00 0.00 34.13 29.73 3dx7 s GLU 55 CO 0.56 -0.26 1.30 0.20 -0.49 0.00 0.00 175.26 176.57 3dx7 s GLY 56 N -0.65 1.76 0.42 -1.39 0.00 -1.26 -4.86 107.32 101.33 3dx7 s GLY 56 Ca 0.52 -1.17 0.11 0.00 0.00 0.00 0.00 44.72 44.18 3dx7 s GLY 56 CO 0.49 -0.39 2.00 -2.55 0.00 0.00 0.00 173.10 172.65 3dx7 h PRO 57 N -1.70 0.47 -0.52 2.90 0.11 -1.98 -2.15 132.00 129.13 3dx7 h PRO 57 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3dx7 h PRO 57 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3dx7 h PRO 57 CO 0.38 0.31 0.29 0.93 -0.21 0.00 0.00 178.00 179.71 3dx7 h GLU 58 N 0.49 0.73 0.01 1.05 3.07 -1.99 0.47 114.58 118.40 3dx7 h GLU 58 Ca 0.24 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 3dx7 h GLU 58 Cb 0.32 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 3dx7 h GLU 58 CO -0.07 0.56 -0.21 -0.92 -1.40 0.00 0.00 179.01 176.98 3dx7 h TYR 59 N 0.70 -0.55 -0.55 4.33 3.20 -1.74 -0.63 116.97 121.72 3dx7 h TYR 59 Ca 0.18 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 3dx7 h TYR 59 Cb 0.05 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3dx7 h TYR 59 CO -0.02 -0.29 -0.06 -1.49 -1.64 0.00 0.00 178.16 174.66 3dx7 h TRP 60 N -0.34 1.10 -0.32 -3.82 4.06 -1.34 0.76 115.95 116.06 3dx7 h TRP 60 Ca 0.06 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 3dx7 h TRP 60 Cb 0.41 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 3dx7 h TRP 60 CO -0.25 1.01 0.17 -0.44 -3.56 0.00 0.00 178.44 175.36 3dx7 h ASP 61 N 0.90 0.41 -0.22 -3.49 3.32 -0.75 -1.02 116.42 115.58 3dx7 h ASP 61 Ca 0.15 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3dx7 h ASP 61 Cb 0.61 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3dx7 h ASP 61 CO 0.04 0.39 0.04 -0.09 -1.72 0.00 0.00 179.24 177.90 3dx7 h ARG 62 N 0.39 0.36 -0.88 3.56 2.43 -0.85 -1.32 114.38 118.07 3dx7 h ARG 62 Ca 0.11 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3dx7 h ARG 62 Cb 0.08 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3dx7 h ARG 62 CO -0.02 0.50 0.48 0.93 -1.51 0.00 0.00 179.97 180.35 3dx7 h GLU 63 N 0.16 1.24 -0.31 0.20 4.39 -0.79 -1.32 114.58 118.13 3dx7 h GLU 63 Ca 0.07 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 3dx7 h GLU 63 Cb 0.31 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3dx7 h GLU 63 CO 0.00 0.91 0.04 1.15 -1.16 0.00 0.00 179.01 179.95 3dx7 h THR 64 N 1.24 1.24 -0.89 1.13 2.02 -1.07 -2.59 112.91 113.99 3dx7 h THR 64 Ca 0.31 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.65 3dx7 h THR 64 Cb 0.03 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3dx7 h THR 64 CO -0.05 0.28 0.59 -0.61 0.37 0.00 0.00 175.52 176.10 3dx7 h GLN 65 N 0.35 1.17 -0.22 6.66 5.75 -0.84 0.12 115.11 128.11 3dx7 h GLN 65 Ca 0.09 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 3dx7 h GLN 65 Cb 0.37 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 3dx7 h GLN 65 CO 0.01 0.78 -0.05 0.82 -2.65 0.00 0.00 178.83 177.74 3dx7 h ILE 66 N 1.21 0.79 -0.49 2.39 2.04 -1.18 0.36 117.51 122.64 3dx7 h ILE 66 Ca 0.33 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.08 3dx7 h ILE 66 Cb -0.13 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3dx7 h ILE 66 CO -0.07 0.00 -0.13 0.28 0.00 0.00 0.00 178.15 178.23 3dx7 h SER 67 N 0.01 0.92 -0.62 1.72 0.02 -0.98 0.72 113.55 115.34 3dx7 h SER 67 Ca 0.10 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3dx7 h SER 67 Cb 0.15 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3dx7 h SER 67 CO -0.21 1.05 0.02 0.11 -1.14 0.00 0.00 176.83 176.65 3dx7 h LYS 68 N 0.82 1.08 -0.38 3.45 1.57 -0.49 -0.58 116.57 122.03 3dx7 h LYS 68 Ca 0.13 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3dx7 h LYS 68 Cb 0.66 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3dx7 h LYS 68 CO 0.05 1.04 0.16 1.15 -0.57 0.00 0.00 179.45 181.28 3dx7 h THR 69 N 0.99 1.19 -0.78 -0.16 2.02 -0.71 -2.92 112.91 112.53 3dx7 h THR 69 Ca 0.18 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3dx7 h THR 69 Cb 0.54 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 3dx7 h THR 69 CO 0.03 0.21 0.52 0.78 0.37 0.00 0.00 175.52 177.42 3dx7 h ASN 70 N 0.48 0.83 -0.49 4.18 -0.26 -0.55 -1.12 115.58 118.64 3dx7 h ASN 70 Ca 0.13 -0.01 0.08 0.00 -0.56 0.00 0.00 56.30 55.94 3dx7 h ASN 70 Cb 0.17 -0.19 -0.07 0.00 -1.06 0.00 0.00 38.32 37.18 3dx7 h ASN 70 CO -0.01 0.57 0.12 0.74 -1.06 0.00 0.00 177.43 177.79 3dx7 h THR 71 N 0.96 0.75 -0.20 2.81 2.02 -0.91 0.82 112.91 119.16 3dx7 h THR 71 Ca 0.31 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 3dx7 h THR 71 Cb 0.04 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3dx7 h THR 71 CO -0.09 0.05 -0.06 1.56 0.37 0.00 0.00 175.52 177.34 3dx7 h GLN 72 N 0.26 0.39 -0.59 6.66 1.08 -1.35 -2.71 115.11 118.85 3dx7 h GLN 72 Ca 0.25 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 3dx7 h GLN 72 Cb 0.32 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3dx7 h GLN 72 CO -0.31 0.66 0.35 1.15 -0.95 0.00 0.00 178.83 179.73 3dx7 h THR 73 N 0.10 1.04 0.00 -0.54 2.02 -0.81 -2.21 112.91 112.50 3dx7 h THR 73 Ca 0.05 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3dx7 h THR 73 Cb 0.53 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3dx7 h THR 73 CO 0.02 0.12 -0.36 1.88 0.37 0.00 0.00 175.52 177.56 3dx7 h TYR 74 N 0.68 0.00 -0.52 3.16 -1.99 -0.87 0.06 116.97 117.48 3dx7 h TYR 74 Ca 0.24 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.94 3dx7 h TYR 74 Cb 0.06 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 3dx7 h TYR 74 CO -0.07 0.36 0.20 0.00 -0.00 0.00 0.00 178.16 178.66 3dx7 h ARG 75 N 0.00 0.78 -0.63 4.88 3.08 -1.12 -0.51 114.38 120.86 3dx7 h ARG 75 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3dx7 h ARG 75 Cb 0.92 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 3dx7 h ARG 75 CO 0.05 0.69 0.41 1.49 -1.07 0.00 0.00 179.97 181.54 3dx7 h GLU 76 N 0.70 0.84 -0.41 0.04 4.81 -0.91 -2.36 114.58 117.30 3dx7 h GLU 76 Ca 0.17 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3dx7 h GLU 76 Cb 0.21 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3dx7 h GLU 76 CO -0.01 0.57 0.05 -0.91 -0.73 0.00 0.00 179.01 177.97 3dx7 h ASN 77 N 0.86 0.59 -0.46 1.04 -0.26 -0.73 -0.95 115.58 115.68 3dx7 h ASN 77 Ca 0.23 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.75 3dx7 h ASN 77 Cb -0.08 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 3dx7 h ASN 77 CO -0.05 0.63 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.74 3dx7 h LEU 78 N 0.61 0.94 -0.63 1.61 3.38 -0.82 -0.33 115.31 120.07 3dx7 h LEU 78 Ca 0.13 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3dx7 h LEU 78 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3dx7 h LEU 78 CO 0.01 1.08 0.15 0.03 0.09 0.00 0.00 178.44 179.79 3dx7 h ARG 79 N 0.83 1.02 -0.47 1.13 3.08 -0.88 -2.54 114.38 116.55 3dx7 h ARG 79 Ca 0.13 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3dx7 h ARG 79 Cb 0.68 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3dx7 h ARG 79 CO 0.05 0.92 0.19 1.15 -1.07 0.00 0.00 179.97 181.21 3dx7 h THR 80 N 0.93 1.20 -0.99 2.04 2.02 -1.00 -2.92 112.91 114.20 3dx7 h THR 80 Ca 0.20 -0.62 0.06 0.00 0.77 0.00 0.00 66.41 66.82 3dx7 h THR 80 Cb 0.36 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 3dx7 h THR 80 CO 0.00 0.23 0.64 0.00 0.37 0.00 0.00 175.52 176.76 3dx7 h ALA 81 N 1.04 1.36 -0.69 6.16 0.00 -0.89 -0.23 119.26 126.01 3dx7 h ALA 81 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3dx7 h ALA 81 Cb 0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3dx7 h ALA 81 CO -0.01 0.44 0.36 -0.07 0.00 0.00 0.00 179.25 179.97 3dx7 h LEU 82 N 1.17 0.49 -0.52 0.00 3.38 -1.27 -1.62 115.31 116.94 3dx7 h LEU 82 Ca 0.42 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.35 3dx7 h LEU 82 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dx7 h LEU 82 CO -0.17 0.30 -0.05 0.03 0.09 0.00 0.00 178.44 178.64 3dx7 h ARG 83 N 0.63 0.96 0.00 1.13 3.08 -1.05 0.07 114.38 119.19 3dx7 h ARG 83 Ca 0.33 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3dx7 h ARG 83 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3dx7 h ARG 83 CO -0.24 0.99 -0.23 1.88 -1.07 0.00 0.00 179.97 181.31 3dx7 h TYR 84 N 0.82 0.00 -0.33 3.04 -1.99 -0.45 -2.96 116.97 115.11 3dx7 h TYR 84 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 3dx7 h TYR 84 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 3dx7 h TYR 84 CO 0.04 0.23 0.00 0.66 -0.00 0.00 0.00 178.16 179.09 3dx7 n TYR 85 N -3.96 0.46 -3.61 4.88 4.02 -0.67 -4.77 117.16 113.51 3dx7 n TYR 85 Ca -0.02 -0.51 -0.26 0.00 -0.01 0.00 0.00 57.90 57.10 3dx7 n TYR 85 Cb 0.31 -0.04 0.06 0.00 -0.02 0.00 0.00 39.34 39.65 3dx7 n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dx7 n ASN 86 N 0.43 -5.87 -4.91 7.72 3.02 -0.38 -4.98 115.26 110.28 3dx7 n ASN 86 Ca 0.11 -0.57 -0.28 0.00 -0.03 0.00 0.00 54.58 53.82 3dx7 n ASN 86 Cb 0.44 -4.65 -0.04 0.00 -0.61 0.00 0.00 39.78 34.91 3dx7 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3dx7 s GLN 87 N -6.32 3.34 0.78 3.52 -0.21 -0.13 -5.04 119.66 115.61 3dx7 s GLN 87 Ca 0.57 -0.59 -0.11 0.00 0.02 0.00 0.00 55.36 55.25 3dx7 s GLN 87 Cb -0.26 -2.93 0.07 0.00 1.00 0.00 0.00 33.01 30.88 3dx7 s GLN 87 CO 0.71 0.54 1.15 -1.54 -2.12 0.00 0.00 175.29 174.03 3dx7 s SER 88 N -2.97 4.66 0.00 5.90 1.04 -1.26 -4.67 113.70 116.39 3dx7 s SER 88 Ca 0.34 0.79 0.20 0.00 0.48 0.00 0.00 55.95 57.76 3dx7 s SER 88 Cb -0.12 -1.34 1.11 0.00 0.10 0.00 0.00 66.02 65.78 3dx7 s SER 88 CO 0.27 -1.80 1.73 -0.62 0.98 0.00 0.00 173.24 173.81 3dx7 n GLU 89 N -3.23 1.15 0.08 4.02 1.02 -1.26 -4.01 120.64 118.42 3dx7 n GLU 89 Ca 0.08 -0.23 -0.02 0.00 -0.02 0.00 0.00 57.16 56.96 3dx7 n GLU 89 Cb 0.60 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.63 3dx7 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dx7 h ALA 90 N 3.73 0.55 -2.19 0.62 0.00 -1.99 -3.44 119.26 116.54 3dx7 h ALA 90 Ca 0.00 -0.77 -0.47 0.00 0.00 0.00 0.00 54.91 53.67 3dx7 h ALA 90 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dx7 h ALA 90 CO 0.00 0.99 -0.31 0.20 0.00 0.00 0.00 179.25 180.13 3dx7 s GLY 91 N -4.66 1.30 -0.08 0.00 0.00 -1.26 -4.67 107.32 97.95 3dx7 s GLY 91 Ca 0.01 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 3dx7 s GLY 91 CO 0.79 -1.06 0.36 -0.45 0.00 0.00 0.00 173.10 172.74 3dx7 s SER 92 N -4.02 6.64 0.08 1.64 0.15 -1.26 -4.60 113.70 112.32 3dx7 s SER 92 Ca 0.38 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.79 3dx7 s SER 92 Cb -0.09 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 3dx7 s SER 92 CO 0.33 0.22 -0.05 -1.00 1.20 0.00 0.00 173.24 173.94 3dx7 s HIS 93 N -0.36 0.71 -0.04 3.44 3.76 -1.25 -4.96 115.29 116.58 3dx7 s HIS 93 Ca 0.21 -1.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 3dx7 s HIS 93 Cb -0.15 -0.45 0.02 0.00 1.11 0.00 0.00 32.58 33.10 3dx7 s HIS 93 CO 0.09 -0.27 -0.06 0.42 -0.85 0.00 0.00 174.74 174.07 3dx7 s ILE 94 N -3.78 0.60 -0.12 0.60 1.01 -1.26 -1.12 121.20 117.13 3dx7 s ILE 94 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 3dx7 s ILE 94 Cb 0.07 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3dx7 s ILE 94 CO -0.07 0.23 -0.02 -0.63 0.00 0.00 0.00 174.94 174.45 3dx7 s ILE 95 N 0.72 4.09 0.09 2.92 1.01 -0.15 -0.03 121.20 129.85 3dx7 s ILE 95 Ca -0.10 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.32 3dx7 s ILE 95 Cb -0.13 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3dx7 s ILE 95 CO 0.01 0.55 -0.23 -1.10 0.00 0.00 0.00 174.94 174.17 3dx7 s GLN 96 N -0.28 1.31 -0.00 2.79 -0.21 -0.66 -0.57 119.66 122.05 3dx7 s GLN 96 Ca 0.05 -1.15 0.01 0.00 0.02 0.00 0.00 55.36 54.29 3dx7 s GLN 96 Cb -0.12 -1.59 -0.00 0.00 1.00 0.00 0.00 33.01 32.29 3dx7 s GLN 96 CO 0.02 0.38 -0.04 0.50 -2.12 0.00 0.00 175.29 174.03 3dx7 s ARG 97 N -1.72 0.35 -0.05 2.91 3.52 -0.81 -0.79 118.95 122.36 3dx7 s ARG 97 Ca 0.09 -0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.49 3dx7 s ARG 97 Cb -0.10 -0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.00 3dx7 s ARG 97 CO 0.04 0.09 0.00 0.00 -0.81 0.00 0.00 175.30 174.62 3dx7 s MET 98 N -0.21 0.45 0.07 5.12 0.23 -0.12 -0.52 119.30 124.32 3dx7 s MET 98 Ca 0.01 0.11 -0.05 0.00 -1.03 0.00 0.00 55.69 54.73 3dx7 s MET 98 Cb -0.02 -0.76 -0.02 0.00 -1.53 0.00 0.00 34.83 32.50 3dx7 s MET 98 CO -0.00 -0.24 0.10 1.52 -2.03 0.00 0.00 175.02 174.37 3dx7 s TYR 99 N 1.62 0.29 -5.00 3.16 -0.85 -0.73 -1.52 117.35 114.33 3dx7 s TYR 99 Ca -0.01 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 3dx7 s TYR 99 Cb -0.13 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.02 3dx7 s TYR 99 CO -0.03 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 173.95 3dx7 n GLY 100 N 0.10 -0.34 3.05 5.49 0.00 -0.68 -0.78 105.19 112.04 3dx7 n GLY 100 Ca -0.15 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3dx7 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx7 s ASP 102 N -1.84 4.56 0.14 0.00 1.01 0.05 -1.16 116.67 119.44 3dx7 s ASP 102 Ca -0.10 -0.08 0.09 0.00 0.71 0.00 0.00 52.55 53.17 3dx7 s ASP 102 Cb -0.05 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 3dx7 s ASP 102 CO -0.03 0.33 -0.22 0.68 0.21 0.00 0.00 175.17 176.15 3dx7 s VAL 103 N -0.86 1.95 0.86 -1.27 -7.23 0.11 -0.52 120.40 113.44 3dx7 s VAL 103 Ca 0.14 -1.79 -0.10 0.00 -1.81 0.00 0.00 61.98 58.43 3dx7 s VAL 103 Cb -0.11 -1.82 0.19 0.00 0.56 0.00 0.00 36.38 35.19 3dx7 s VAL 103 CO 0.03 -0.13 1.17 0.61 -0.31 0.00 0.00 175.10 176.48 3dx7 n GLY 104 N 0.66 -0.61 0.39 2.32 0.00 -0.39 -1.71 105.19 105.86 3dx7 n GLY 104 Ca -0.16 -1.84 0.21 0.00 0.00 0.00 0.00 46.02 44.23 3dx7 n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dx7 h PRO 105 N 0.00 0.44 -0.01 1.61 0.11 -1.89 0.11 132.00 132.37 3dx7 h PRO 105 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dx7 h PRO 105 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dx7 h PRO 105 CO 0.32 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3dx7 n ASP 106 N -4.67 0.35 0.00 -2.05 5.75 -1.26 -4.91 116.55 109.75 3dx7 n ASP 106 Ca 0.25 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3dx7 n ASP 106 Cb 0.82 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 3dx7 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dx7 n GLY 107 N 0.98 0.85 3.86 6.12 0.00 0.39 -5.03 105.19 112.36 3dx7 n GLY 107 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3dx7 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dx7 s ARG 108 N -0.09 3.88 0.09 1.61 0.52 -1.26 -4.70 118.95 119.00 3dx7 s ARG 108 Ca 0.00 0.66 -0.31 0.00 -0.52 0.00 0.00 55.73 55.56 3dx7 s ARG 108 Cb 0.00 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.05 3dx7 s ARG 108 CO 0.00 -0.07 1.86 -1.17 0.02 0.00 0.00 175.30 175.95 3dx7 s LEU 109 N -3.74 4.41 -0.20 2.53 2.96 -1.26 -1.26 118.68 122.12 3dx7 s LEU 109 Ca 0.54 2.71 -0.20 0.00 -0.22 0.00 0.00 54.13 56.96 3dx7 s LEU 109 Cb -0.10 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.84 3dx7 s LEU 109 CO 0.28 -1.01 0.24 -0.07 -1.32 0.00 0.00 176.35 174.47 3dx7 h LEU 110 N 9.30 0.05 -7.00 -0.68 3.38 -1.12 -3.46 115.31 115.78 3dx7 h LEU 110 Ca -0.47 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.01 3dx7 h LEU 110 Cb 1.22 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 3dx7 h LEU 110 CO 0.95 1.53 0.41 0.00 0.09 0.00 0.00 178.44 181.41 3dx7 s ARG 111 N -2.38 0.93 0.23 1.13 1.70 -1.19 -5.00 118.95 114.37 3dx7 s ARG 111 Ca -0.28 -0.28 0.09 0.00 -0.47 0.00 0.00 55.73 54.79 3dx7 s ARG 111 Cb 0.06 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 3dx7 s ARG 111 CO 0.61 -0.39 -0.03 0.20 -1.08 0.00 0.00 175.30 174.61 3dx7 s GLY 112 N -2.37 1.69 0.01 3.88 0.00 -1.26 -0.77 107.32 108.50 3dx7 s GLY 112 Ca 0.03 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.18 3dx7 s GLY 112 CO -0.08 -1.62 -0.03 -0.19 0.00 0.00 0.00 173.10 171.18 3dx7 s TYR 113 N -2.08 0.24 -0.29 1.90 1.51 0.21 -4.82 117.35 114.03 3dx7 s TYR 113 Ca 0.29 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 56.13 3dx7 s TYR 113 Cb -0.07 -0.16 0.17 0.00 -0.11 0.00 0.00 41.96 41.79 3dx7 s TYR 113 CO 0.18 -0.05 0.57 0.34 -1.11 0.00 0.00 175.55 175.48 3dx7 s ASP 114 N -0.51 -1.05 -0.00 2.29 2.15 -1.26 -1.69 116.67 116.60 3dx7 s ASP 114 Ca -0.04 0.89 -0.03 0.00 0.43 0.00 0.00 52.55 53.80 3dx7 s ASP 114 Cb -0.04 1.99 -0.00 0.00 -0.30 0.00 0.00 42.92 44.57 3dx7 s ASP 114 CO -0.00 -0.26 0.06 0.00 -0.17 0.00 0.00 175.17 174.80 3dx7 s GLN 115 N 2.81 0.31 0.12 4.34 -2.07 -0.57 -0.07 119.66 124.52 3dx7 s GLN 115 Ca 0.15 -0.33 0.07 0.00 -1.82 0.00 0.00 55.36 53.43 3dx7 s GLN 115 Cb -0.14 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 31.86 3dx7 s GLN 115 CO -0.20 -0.06 -0.17 -0.51 -1.32 0.00 0.00 175.29 173.04 3dx7 s ASP 116 N -1.00 2.21 0.10 12.60 1.01 0.45 -0.94 116.67 131.09 3dx7 s ASP 116 Ca -0.11 -0.75 0.04 0.00 0.71 0.00 0.00 52.55 52.44 3dx7 s ASP 116 Cb -0.06 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 3dx7 s ASP 116 CO 0.00 -0.06 -0.11 0.00 0.21 0.00 0.00 175.17 175.21 3dx7 s ALA 117 N -1.72 1.18 -0.08 5.23 0.00 0.03 -0.95 121.76 125.45 3dx7 s ALA 117 Ca 0.08 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3dx7 s ALA 117 Cb -0.07 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3dx7 s ALA 117 CO 0.04 0.00 -0.10 -0.47 0.00 0.00 0.00 175.76 175.23 3dx7 s TYR 118 N -2.28 1.47 -1.61 0.00 5.04 -0.36 -1.65 117.35 117.97 3dx7 s TYR 118 Ca 0.05 -0.62 -0.14 0.00 -2.44 0.00 0.00 57.07 53.92 3dx7 s TYR 118 Cb -0.04 -1.13 0.11 0.00 0.35 0.00 0.00 41.96 41.25 3dx7 s TYR 118 CO 0.01 -0.37 0.77 -0.25 -1.34 0.00 0.00 175.55 174.37 3dx7 n ASP 119 N 4.26 -3.12 0.00 4.32 8.00 0.96 -1.90 116.55 129.06 3dx7 n ASP 119 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3dx7 n ASP 119 Cb 0.51 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.51 3dx7 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx7 n GLY 120 N -1.57 0.78 3.52 0.44 0.00 -1.26 -5.02 105.19 102.08 3dx7 n GLY 120 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3dx7 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dx7 s LYS 121 N -0.03 2.41 0.16 1.61 1.02 -0.80 -5.09 119.74 119.01 3dx7 s LYS 121 Ca 0.00 -0.78 -0.33 0.00 0.02 0.00 0.00 55.97 54.88 3dx7 s LYS 121 Cb 0.00 -2.38 -0.16 0.00 -0.52 0.00 0.00 37.83 34.77 3dx7 s LYS 121 CO 0.00 0.59 1.07 -0.25 -0.92 0.00 0.00 175.35 175.84 3dx7 n ASP 122 N 1.77 0.87 0.00 2.83 9.92 -1.26 -1.22 116.55 129.46 3dx7 n ASP 122 Ca -0.16 1.14 -0.01 0.00 -0.53 0.00 0.00 54.79 55.24 3dx7 n ASP 122 Cb 0.52 -1.15 -0.00 0.00 -0.64 0.00 0.00 41.12 39.85 3dx7 n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dx7 n TYR 123 N 1.28 0.00 -3.87 1.24 9.36 -0.13 -4.66 117.16 120.38 3dx7 n TYR 123 Ca 0.16 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.27 3dx7 n TYR 123 Cb 0.23 -0.03 -0.10 0.00 -0.63 0.00 0.00 39.34 38.80 3dx7 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3dx7 s ILE 124 N -1.33 0.08 -0.01 2.97 2.07 -1.11 -0.88 121.20 122.99 3dx7 s ILE 124 Ca -0.02 -0.65 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 3dx7 s ILE 124 Cb 0.00 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.18 3dx7 s ILE 124 CO 0.03 -0.36 0.00 0.00 -1.91 0.00 0.00 174.94 172.70 3dx7 s ALA 125 N -1.28 0.09 0.12 1.50 0.00 -0.26 -0.41 121.76 121.50 3dx7 s ALA 125 Ca -0.14 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 3dx7 s ALA 125 Cb -0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 3dx7 s ALA 125 CO 0.01 -0.02 1.28 -1.17 0.00 0.00 0.00 175.76 175.86 3dx7 s LEU 126 N 0.31 4.39 0.79 0.00 2.96 0.90 -0.80 118.68 127.23 3dx7 s LEU 126 Ca -0.03 2.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.98 3dx7 s LEU 126 Cb -0.04 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.12 3dx7 s LEU 126 CO -0.01 -0.52 1.09 0.20 -1.32 0.00 0.00 176.35 175.78 3dx7 s ASN 127 N 0.82 4.46 0.58 3.68 0.01 -0.18 -4.56 114.94 119.75 3dx7 s ASN 127 Ca 0.59 1.55 0.28 0.00 -0.71 0.00 0.00 52.86 54.58 3dx7 s ASN 127 Cb -0.33 -2.29 1.76 0.00 0.41 0.00 0.00 41.25 40.79 3dx7 s ASN 127 CO 0.32 -2.02 2.24 -0.08 -1.51 0.00 0.00 177.10 176.05 3dx7 h GLU 128 N -1.12 0.00 0.00 -0.60 4.81 -1.88 0.46 114.58 116.25 3dx7 h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3dx7 h GLU 128 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3dx7 h GLU 128 CO 0.56 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 3dx7 n ASP 129 N -3.91 0.31 -2.58 1.04 5.68 -1.26 -4.78 116.55 111.05 3dx7 n ASP 129 Ca -0.03 0.60 -0.17 0.00 -0.50 0.00 0.00 54.79 54.69 3dx7 n ASP 129 Cb 0.09 -0.66 -0.00 0.00 -1.14 0.00 0.00 41.12 39.40 3dx7 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3dx7 n LEU 130 N -1.87 -1.63 0.00 -2.12 4.77 0.15 -4.77 117.00 111.53 3dx7 n LEU 130 Ca 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3dx7 n LEU 130 Cb 0.12 -2.51 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 3dx7 n LEU 130 CO 0.11 -0.09 -0.05 -1.20 -1.33 0.00 0.00 177.39 174.84 3dx7 n SER 131 N -2.01 0.47 -4.37 -1.43 7.64 -1.26 -4.48 113.62 108.18 3dx7 n SER 131 Ca -0.16 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.53 3dx7 n SER 131 Cb 0.63 0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.80 3dx7 n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dx7 s SER 132 N -0.64 1.83 0.17 6.43 1.04 -1.26 -4.87 113.70 116.40 3dx7 s SER 132 Ca 0.00 -1.34 0.10 0.00 0.48 0.00 0.00 55.95 55.19 3dx7 s SER 132 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 3dx7 s SER 132 CO 0.00 -0.62 -0.22 0.26 0.98 0.00 0.00 173.24 173.64 3dx7 s TRP 133 N -3.48 2.05 -0.22 5.02 0.52 -1.26 -1.01 118.94 120.55 3dx7 s TRP 133 Ca 0.35 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.08 3dx7 s TRP 133 Cb 0.08 -1.04 0.04 0.00 -1.15 0.00 0.00 33.47 31.40 3dx7 s TRP 133 CO 0.13 0.39 -0.14 0.99 0.02 0.00 0.00 176.95 178.34 3dx7 s THR 134 N -1.71 2.21 -0.11 2.01 2.01 0.02 -4.88 115.64 115.18 3dx7 s THR 134 Ca 0.17 -1.26 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 3dx7 s THR 134 Cb -0.07 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3dx7 s THR 134 CO 0.08 0.24 0.24 0.00 -0.69 0.00 0.00 174.62 174.49 3dx7 s ALA 135 N 1.21 3.74 -0.27 7.40 0.00 -1.26 -1.11 121.76 131.48 3dx7 s ALA 135 Ca -0.02 -0.49 0.19 0.00 0.00 0.00 0.00 51.96 51.64 3dx7 s ALA 135 Cb -0.17 -2.20 0.13 0.00 0.00 0.00 0.00 23.12 20.89 3dx7 s ALA 135 CO -0.08 0.41 1.37 0.00 0.00 0.00 0.00 175.76 177.46 3dx7 h ALA 136 N 5.50 0.76 -2.99 0.00 0.00 -1.28 -3.47 119.26 117.78 3dx7 h ALA 136 Ca -0.49 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 3dx7 h ALA 136 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dx7 h ALA 136 CO 0.65 0.35 0.20 0.16 0.00 0.00 0.00 179.25 180.60 3dx7 s ASP 137 N -6.14 0.14 0.51 0.00 1.47 -1.26 -5.04 116.67 106.35 3dx7 s ASP 137 Ca 0.04 -1.18 0.29 0.00 1.18 0.00 0.00 52.55 52.87 3dx7 s ASP 137 Cb 0.07 0.82 1.29 0.00 -0.34 0.00 0.00 42.92 44.76 3dx7 s ASP 137 CO 0.73 -1.61 1.98 0.71 0.68 0.00 0.00 175.17 177.66 3dx7 h THR 138 N 2.02 0.41 0.10 2.11 1.35 -1.99 -1.95 112.91 114.96 3dx7 h THR 138 Ca -0.31 -0.73 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3dx7 h THR 138 Cb 1.25 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3dx7 h THR 138 CO 0.40 0.13 -0.05 0.00 -0.25 0.00 0.00 175.52 175.75 3dx7 h ALA 139 N 1.87 -0.13 0.00 6.62 0.00 -1.97 -3.14 119.26 122.52 3dx7 h ALA 139 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3dx7 h ALA 139 Cb 0.51 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dx7 h ALA 139 CO 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 178.84 3dx7 h ALA 140 N 0.32 1.75 -0.07 0.00 0.00 -1.77 -0.85 119.26 118.64 3dx7 h ALA 140 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3dx7 h ALA 140 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3dx7 h ALA 140 CO 0.02 0.06 -0.14 1.96 0.00 0.00 0.00 179.25 181.15 3dx7 h GLN 141 N 0.00 0.11 -0.24 0.00 4.20 -1.31 0.18 115.11 118.04 3dx7 h GLN 141 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3dx7 h GLN 141 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3dx7 h GLN 141 CO 0.01 0.26 0.05 0.82 -0.67 0.00 0.00 178.83 179.30 3dx7 h ILE 142 N 0.10 1.21 -0.37 2.54 1.08 -1.12 -1.27 117.51 119.69 3dx7 h ILE 142 Ca 0.02 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 3dx7 h ILE 142 Cb 0.32 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 3dx7 h ILE 142 CO 0.02 0.23 0.24 0.74 -0.69 0.00 0.00 178.15 178.68 3dx7 h THR 143 N 0.21 1.10 -0.62 -0.27 2.02 -1.37 -2.48 112.91 111.50 3dx7 h THR 143 Ca 0.08 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.17 3dx7 h THR 143 Cb 0.29 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.19 3dx7 h THR 143 CO 0.00 0.10 0.23 -0.61 0.37 0.00 0.00 175.52 175.61 3dx7 h GLN 144 N 0.49 0.39 -0.48 6.66 4.15 -0.48 0.24 115.11 126.08 3dx7 h GLN 144 Ca 0.13 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.56 3dx7 h GLN 144 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 3dx7 h GLN 144 CO -0.03 0.26 0.28 -0.09 -1.93 0.00 0.00 178.83 177.32 3dx7 h ARG 145 N 0.41 0.53 -0.55 1.69 2.43 -1.00 0.18 114.38 118.07 3dx7 h ARG 145 Ca 0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3dx7 h ARG 145 Cb 0.41 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3dx7 h ARG 145 CO -0.32 0.35 0.36 0.87 -1.51 0.00 0.00 179.97 179.72 3dx7 h LYS 146 N 0.55 0.73 -0.07 0.20 1.57 -0.86 -1.25 116.57 117.45 3dx7 h LYS 146 Ca 0.20 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 3dx7 h LYS 146 Cb 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3dx7 h LYS 146 CO -0.10 0.49 -0.69 -1.49 -0.57 0.00 0.00 179.45 177.09 3dx7 h TRP 147 N 0.75 0.40 -0.41 -1.35 4.06 -0.47 -2.09 115.95 116.84 3dx7 h TRP 147 Ca 0.20 -0.17 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 3dx7 h TRP 147 Cb -0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 3dx7 h TRP 147 CO -0.03 0.89 0.01 0.93 -3.56 0.00 0.00 178.44 176.68 3dx7 h GLU 148 N 0.21 0.72 -0.96 0.49 5.08 -0.54 -1.23 114.58 118.35 3dx7 h GLU 148 Ca -0.02 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3dx7 h GLU 148 Cb 1.24 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 3dx7 h GLU 148 CO 0.11 0.79 0.63 0.00 -1.00 0.00 0.00 179.01 179.54 3dx7 h ALA 149 N 0.90 1.26 -0.17 3.43 0.00 -1.06 -2.41 119.26 121.21 3dx7 h ALA 149 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dx7 h ALA 149 Cb 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dx7 h ALA 149 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3dx7 n ALA 150 N -2.36 2.52 -3.96 0.00 0.00 -0.80 -4.95 120.51 110.96 3dx7 n ALA 150 Ca 0.12 -0.53 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 3dx7 n ALA 150 Cb 0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 3dx7 n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dx7 n ARG 151 N 0.33 -3.74 -0.13 0.00 1.74 -0.72 -4.88 116.66 109.27 3dx7 n ARG 151 Ca 0.16 0.45 -0.05 0.00 -0.77 0.00 0.00 57.85 57.65 3dx7 n ARG 151 Cb 0.33 -4.81 0.15 0.00 -1.02 0.00 0.00 32.46 27.11 3dx7 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dx7 h VAL 152 N -1.81 1.24 -0.93 1.55 2.07 -1.54 -2.93 116.25 113.90 3dx7 h VAL 152 Ca -0.62 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 65.97 3dx7 h VAL 152 Cb 1.37 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 3dx7 h VAL 152 CO 0.65 0.35 0.61 0.00 0.02 0.00 0.00 177.57 179.19 3dx7 h ALA 153 N 1.25 1.23 -0.93 1.67 0.00 -1.89 -1.01 119.26 119.58 3dx7 h ALA 153 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dx7 h ALA 153 Cb 0.42 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3dx7 h ALA 153 CO 0.01 0.48 0.53 0.93 0.00 0.00 0.00 179.25 181.21 3dx7 h GLU 154 N 1.18 1.28 -0.37 0.00 3.07 -1.74 0.75 114.58 118.75 3dx7 h GLU 154 Ca 0.37 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 3dx7 h GLU 154 Cb -0.01 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.63 3dx7 h GLU 154 CO -0.12 0.91 -0.05 1.96 -1.40 0.00 0.00 179.01 180.32 3dx7 h GLN 155 N 1.29 0.68 -0.41 2.33 4.20 -1.30 -2.22 115.11 119.68 3dx7 h GLN 155 Ca 0.33 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3dx7 h GLN 155 Cb -0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3dx7 h GLN 155 CO -0.06 0.82 0.20 -0.07 -0.67 0.00 0.00 178.83 179.05 3dx7 h LEU 156 N 0.49 0.54 -0.60 1.46 3.38 -0.86 -2.40 115.31 117.31 3dx7 h LEU 156 Ca 0.10 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3dx7 h LEU 156 Cb 0.54 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3dx7 h LEU 156 CO 0.03 0.51 0.29 -0.09 0.09 0.00 0.00 178.44 179.27 3dx7 h ARG 157 N 0.53 0.52 -0.67 1.13 2.43 -0.81 0.19 114.38 117.69 3dx7 h ARG 157 Ca 0.14 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3dx7 h ARG 157 Cb 0.12 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 3dx7 h ARG 157 CO -0.02 0.34 0.34 0.00 -1.51 0.00 0.00 179.97 179.13 3dx7 h ALA 158 N 1.35 0.91 -0.11 2.80 0.00 -1.17 -0.34 119.26 122.70 3dx7 h ALA 158 Ca 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3dx7 h ALA 158 Cb 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dx7 h ALA 158 CO -0.22 -0.03 -0.04 -0.92 0.00 0.00 0.00 179.25 178.05 3dx7 h TYR 159 N 0.60 0.25 -0.40 0.00 3.20 -0.86 -2.08 116.97 117.69 3dx7 h TYR 159 Ca 0.32 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 3dx7 h TYR 159 Cb 0.29 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3dx7 h TYR 159 CO -0.10 0.54 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.88 3dx7 h LEU 160 N -0.11 0.62 0.00 2.82 3.38 -0.31 -0.36 115.31 121.34 3dx7 h LEU 160 Ca 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dx7 h LEU 160 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3dx7 h LEU 160 CO 0.01 0.69 -0.34 -0.33 0.09 0.00 0.00 178.44 178.57 3dx7 h GLU 161 N 0.61 0.00 0.00 1.13 5.08 -1.12 -3.34 114.58 116.95 3dx7 h GLU 161 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3dx7 h GLU 161 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dx7 h GLU 161 CO 0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 3dx7 n GLY 162 N 1.22 0.48 0.36 -3.84 0.00 -0.78 -4.73 105.19 97.90 3dx7 n GLY 162 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3dx7 n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dx7 h LEU 163 N 0.00 0.68 0.29 0.99 5.85 -1.62 -0.10 115.31 121.42 3dx7 h LEU 163 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3dx7 h LEU 163 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3dx7 h LEU 163 CO 0.00 0.43 -0.19 0.00 -0.34 0.00 0.00 178.44 178.34 3dx7 h VAL 165 N -0.48 1.35 -0.20 0.00 -1.51 -1.57 -2.03 116.25 111.82 3dx7 h VAL 165 Ca -0.03 -2.00 -0.01 0.00 -1.23 0.00 0.00 66.70 63.44 3dx7 h VAL 165 Cb 0.40 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 3dx7 h VAL 165 CO 0.02 0.61 0.09 -0.33 -1.23 0.00 0.00 177.57 176.73 3dx7 h GLU 166 N 0.35 0.29 -0.44 5.19 5.08 -0.87 -0.80 114.58 123.37 3dx7 h GLU 166 Ca -0.02 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3dx7 h GLU 166 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3dx7 h GLU 166 CO 0.12 0.32 -0.15 0.66 -1.00 0.00 0.00 179.01 178.96 3dx7 h SER 167 N 0.18 0.89 -0.69 1.42 4.64 -0.89 -2.44 113.55 116.67 3dx7 h SER 167 Ca 0.07 -0.38 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3dx7 h SER 167 Cb 0.13 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 3dx7 h SER 167 CO -0.01 1.07 0.45 0.25 -0.87 0.00 0.00 176.83 177.72 3dx7 h LEU 168 N 0.71 0.75 -0.82 5.97 5.85 -1.25 0.14 115.31 126.65 3dx7 h LEU 168 Ca 0.10 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3dx7 h LEU 168 Cb 0.71 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3dx7 h LEU 168 CO 0.05 0.53 0.53 0.03 -0.34 0.00 0.00 178.44 179.25 3dx7 h ARG 169 N 0.89 1.04 -0.40 1.25 3.08 -1.02 -0.28 114.38 118.94 3dx7 h ARG 169 Ca 0.27 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3dx7 h ARG 169 Cb -0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 3dx7 h ARG 169 CO -0.08 0.69 0.13 -0.09 -1.07 0.00 0.00 179.97 179.54 3dx7 h ARG 170 N 1.07 0.63 -0.73 0.04 2.43 -0.85 -2.25 114.38 114.71 3dx7 h ARG 170 Ca 0.31 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3dx7 h ARG 170 Cb -0.07 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3dx7 h ARG 170 CO -0.09 0.63 0.49 1.88 -1.51 0.00 0.00 179.97 181.36 3dx7 h TYR 171 N 0.51 0.93 -0.68 2.20 0.05 -0.58 -0.06 116.97 119.34 3dx7 h TYR 171 Ca 0.13 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 3dx7 h TYR 171 Cb 0.26 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3dx7 h TYR 171 CO 0.01 0.59 0.31 -0.07 -1.05 0.00 0.00 178.16 177.94 3dx7 h LEU 172 N 1.00 0.89 0.02 3.88 3.38 -0.86 0.24 115.31 123.86 3dx7 h LEU 172 Ca 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dx7 h LEU 172 Cb -0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.41 3dx7 h LEU 172 CO -0.06 0.78 -0.01 -0.08 0.09 0.00 0.00 178.44 179.16 3dx7 h GLU 173 N 0.98 -0.03 -0.31 1.13 4.57 -1.00 -1.72 114.58 118.19 3dx7 h GLU 173 Ca 0.23 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 3dx7 h GLU 173 Cb 0.14 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3dx7 h GLU 173 CO -0.03 0.50 0.12 -0.91 -1.18 0.00 0.00 179.01 177.51 3dx7 h ASN 174 N -0.58 0.39 -0.73 1.04 2.35 -0.85 -2.62 115.58 114.59 3dx7 h ASN 174 Ca -0.00 -0.03 -0.32 0.00 -0.55 0.00 0.00 56.30 55.39 3dx7 h ASN 174 Cb 0.54 -0.10 -0.19 0.00 0.05 0.00 0.00 38.32 38.62 3dx7 h ASN 174 CO 0.01 0.36 0.33 0.61 -1.65 0.00 0.00 177.43 177.08 3dx7 n GLY 175 N -1.26 4.33 0.27 2.83 0.00 0.83 -4.75 105.19 107.43 3dx7 n GLY 175 Ca 0.02 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.07 3dx7 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dx7 h LYS 176 N 1.53 0.00 0.00 1.61 2.10 -0.91 0.40 116.57 121.30 3dx7 h LYS 176 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3dx7 h LYS 176 Cb 2.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.68 3dx7 h LYS 176 CO 0.78 0.09 0.00 1.05 -2.00 0.00 0.00 179.45 179.37 3dx7 h GLU 177 N 0.00 0.00 0.00 0.07 4.11 -1.86 -3.14 114.58 113.76 3dx7 h GLU 177 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3dx7 h GLU 177 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3dx7 h GLU 177 CO 0.01 0.00 -0.72 0.25 0.07 0.00 0.00 179.01 178.62 3dx7 n THR 178 N -3.01 0.46 0.23 -1.06 -2.24 -0.61 -4.54 114.28 103.50 3dx7 n THR 178 Ca 0.01 0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 3dx7 n THR 178 Cb 0.34 -1.55 0.58 0.00 -2.10 0.00 0.00 70.33 67.60 3dx7 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dx7 h LEU 179 N -0.04 0.04 -3.57 3.22 3.38 -0.44 -2.07 115.31 115.84 3dx7 h LEU 179 Ca -0.02 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3dx7 h LEU 179 Cb 0.70 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 3dx7 h LEU 179 CO -0.01 0.09 0.16 0.00 0.09 0.00 0.00 178.44 178.77 3dx7 n GLN 180 N -4.46 3.13 -4.14 1.13 6.02 -1.19 -4.87 117.38 112.99 3dx7 n GLN 180 Ca -0.02 -3.05 -0.33 0.00 -0.01 0.00 0.00 57.00 53.58 3dx7 n GLN 180 Cb 0.14 -2.06 -0.16 0.00 1.02 0.00 0.00 30.24 29.18 3dx7 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3dx7 s ARG 181 N -3.02 3.00 -0.02 -1.09 3.52 -0.78 -4.97 118.95 115.58 3dx7 s ARG 181 Ca 0.50 -0.83 -0.17 0.00 -0.13 0.00 0.00 55.73 55.10 3dx7 s ARG 181 Cb 0.41 -2.57 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 3dx7 s ARG 181 CO 0.10 -0.20 0.48 0.00 -0.81 0.00 0.00 175.30 174.86 3dx7 s ALA 182 N 1.28 3.58 -0.29 6.12 0.00 -1.26 -4.78 121.76 126.41 3dx7 s ALA 182 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 3dx7 s ALA 182 Cb -0.13 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.44 3dx7 s ALA 182 CO -0.12 0.28 0.08 -0.51 0.00 0.00 0.00 175.76 175.48 3dx7 s ASP 183 N -0.45 5.10 0.73 0.00 1.01 0.56 -4.83 116.67 118.79 3dx7 s ASP 183 Ca 0.26 -0.66 -0.11 0.00 0.71 0.00 0.00 52.55 52.75 3dx7 s ASP 183 Cb -0.17 -1.88 0.03 0.00 1.01 0.00 0.00 42.92 41.91 3dx7 s ASP 183 CO 0.14 -0.17 1.08 -2.16 0.21 0.00 0.00 175.17 174.26 3dx7 s PRO 184 N 1.51 2.58 0.42 8.23 0.04 -1.26 -1.22 135.00 145.29 3dx7 s PRO 184 Ca 0.03 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 61.95 3dx7 s PRO 184 Cb -0.17 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3dx7 s PRO 184 CO 0.02 -1.39 1.12 -1.25 0.04 0.00 0.00 177.00 175.55 3dx7 s PRO 185 N -4.84 4.00 -0.17 0.56 0.04 -1.26 -4.36 135.00 128.98 3dx7 s PRO 185 Ca 0.61 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 3dx7 s PRO 185 Cb -0.16 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 3dx7 s PRO 185 CO 0.53 -0.33 0.54 0.15 0.04 0.00 0.00 177.00 177.93 3dx7 s LYS 186 N -2.50 4.25 0.05 4.56 1.02 0.24 -4.87 119.74 122.50 3dx7 s LYS 186 Ca 0.59 0.49 0.08 0.00 0.02 0.00 0.00 55.97 57.15 3dx7 s LYS 186 Cb -0.27 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 3dx7 s LYS 186 CO 0.33 -0.06 -0.21 0.95 -0.92 0.00 0.00 175.35 175.44 3dx7 s THR 187 N 1.33 1.71 0.12 2.17 -4.23 -1.26 -1.12 115.64 114.36 3dx7 s THR 187 Ca 0.26 -1.24 -0.24 0.00 -1.18 0.00 0.00 61.69 59.29 3dx7 s THR 187 Cb -0.16 -1.49 0.07 0.00 1.34 0.00 0.00 72.50 72.27 3dx7 s THR 187 CO 0.10 0.19 0.65 -1.38 -0.54 0.00 0.00 174.62 173.64 3dx7 s HIS 188 N -0.83 -0.52 -0.15 3.99 -3.43 -1.06 -5.00 115.29 108.28 3dx7 s HIS 188 Ca 0.08 0.38 -0.02 0.00 -0.80 0.00 0.00 55.06 54.69 3dx7 s HIS 188 Cb -0.09 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.59 3dx7 s HIS 188 CO 0.02 -0.79 -0.09 0.08 -2.00 0.00 0.00 174.74 171.96 3dx7 s VAL 189 N -3.46 3.35 0.22 -5.38 1.01 -1.26 -0.52 120.40 114.36 3dx7 s VAL 189 Ca 0.01 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3dx7 s VAL 189 Cb -0.01 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3dx7 s VAL 189 CO -0.11 0.50 0.16 0.42 0.00 0.00 0.00 175.10 176.08 3dx7 s THR 190 N 0.51 4.38 -0.11 3.92 -4.23 0.00 -4.66 115.64 115.46 3dx7 s THR 190 Ca -0.07 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 3dx7 s THR 190 Cb -0.15 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.39 3dx7 s THR 190 CO 0.04 -0.27 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.45 3dx7 s HIS 191 N -2.01 1.69 -0.31 3.99 2.46 -1.26 -1.38 115.29 118.47 3dx7 s HIS 191 Ca 0.32 -0.81 -0.01 0.00 0.47 0.00 0.00 55.06 55.03 3dx7 s HIS 191 Cb -0.08 -1.29 0.10 0.00 -0.13 0.00 0.00 32.58 31.17 3dx7 s HIS 191 CO 0.24 -0.48 0.11 -1.01 -2.47 0.00 0.00 174.74 171.13 3dx7 s HIS 192 N 1.27 1.49 0.28 3.88 3.76 0.29 -4.99 115.29 121.27 3dx7 s HIS 192 Ca -0.02 -1.63 -0.30 0.00 -0.15 0.00 0.00 55.06 52.95 3dx7 s HIS 192 Cb -0.14 -1.58 -0.12 0.00 1.11 0.00 0.00 32.58 31.85 3dx7 s HIS 192 CO -0.04 -0.87 1.63 -2.30 -0.85 0.00 0.00 174.74 172.31 3dx7 n PRO 193 N 4.84 2.74 -0.04 8.40 -0.02 -1.26 -0.26 135.00 149.41 3dx7 n PRO 193 Ca -0.02 0.98 -0.21 0.00 -2.02 0.00 0.00 63.50 62.23 3dx7 n PRO 193 Cb 0.42 -2.78 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 3dx7 n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3dx7 n ILE 194 N 2.54 1.69 -3.52 4.25 5.41 -0.42 -4.86 119.36 124.45 3dx7 n ILE 194 Ca 0.10 -0.60 -0.03 0.00 1.00 0.00 0.00 62.75 63.22 3dx7 n ILE 194 Cb 0.36 -1.66 -0.00 0.00 -0.71 0.00 0.00 39.64 37.63 3dx7 n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3dx7 n SER 195 N -3.47 -0.45 0.27 4.38 3.41 -0.83 -4.99 113.62 111.94 3dx7 n SER 195 Ca -0.36 -1.47 0.16 0.00 -0.26 0.00 0.00 58.87 56.93 3dx7 n SER 195 Cb 1.01 0.79 0.69 0.00 -0.26 0.00 0.00 64.21 66.45 3dx7 n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dx7 h ASP 196 N 0.52 0.00 0.00 4.04 3.32 -2.04 -3.30 116.42 118.96 3dx7 h ASP 196 Ca -0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 3dx7 h ASP 196 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3dx7 h ASP 196 CO 0.10 0.05 -1.99 1.41 -1.72 0.00 0.00 179.24 177.09 3dx7 n HIS 197 N -3.19 0.00 -3.91 4.55 8.25 -1.26 -4.74 115.22 114.92 3dx7 n HIS 197 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3dx7 n HIS 197 Cb 0.30 -0.54 -0.10 0.00 1.12 0.00 0.00 29.99 30.77 3dx7 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3dx7 s GLU 198 N -3.26 0.40 0.05 -0.41 2.02 -1.25 -0.98 118.70 115.28 3dx7 s GLU 198 Ca -0.08 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.46 3dx7 s GLU 198 Cb 0.12 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 3dx7 s GLU 198 CO 0.84 -0.09 -0.06 0.14 0.02 0.00 0.00 175.26 176.11 3dx7 s VAL 199 N -1.37 0.50 -0.19 2.63 -7.23 -0.09 -1.30 120.40 113.35 3dx7 s VAL 199 Ca -0.15 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 3dx7 s VAL 199 Cb -0.08 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 3dx7 s VAL 199 CO 0.01 -0.58 0.33 -0.89 -0.31 0.00 0.00 175.10 173.65 3dx7 s THR 200 N -2.21 5.26 -0.19 5.32 2.01 0.65 -0.32 115.64 126.16 3dx7 s THR 200 Ca -0.03 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 3dx7 s THR 200 Cb -0.04 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3dx7 s THR 200 CO -0.02 0.32 0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 3dx7 s LEU 201 N 0.94 3.75 -0.14 4.42 1.43 -0.32 -0.55 118.68 128.21 3dx7 s LEU 201 Ca 0.17 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3dx7 s LEU 201 Cb -0.14 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3dx7 s LEU 201 CO 0.06 0.15 -0.17 -0.60 0.23 0.00 0.00 176.35 176.02 3dx7 s ARG 202 N 0.53 2.53 -0.28 1.70 3.52 -0.48 -1.61 118.95 124.87 3dx7 s ARG 202 Ca 0.03 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 54.85 3dx7 s ARG 202 Cb -0.13 -2.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.02 3dx7 s ARG 202 CO 0.01 -0.15 0.22 0.00 -0.81 0.00 0.00 175.30 174.57 3dx7 s TRP 204 N 1.78 3.24 -0.10 0.00 0.52 0.32 -1.37 118.94 123.33 3dx7 s TRP 204 Ca 0.08 0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.43 3dx7 s TRP 204 Cb -0.16 -1.78 0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3dx7 s TRP 204 CO 0.11 0.52 -0.08 0.00 0.02 0.00 0.00 176.95 177.52 3dx7 s ALA 205 N -0.99 1.23 0.08 0.98 0.00 -0.04 -2.58 121.76 120.44 3dx7 s ALA 205 Ca 0.16 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.71 3dx7 s ALA 205 Cb -0.12 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3dx7 s ALA 205 CO 0.06 -0.32 -0.14 -0.51 0.00 0.00 0.00 175.76 174.85 3dx7 s LEU 206 N 1.52 2.31 -0.93 0.00 1.43 -0.27 -1.25 118.68 121.49 3dx7 s LEU 206 Ca 0.01 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3dx7 s LEU 206 Cb -0.13 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.58 3dx7 s LEU 206 CO -0.06 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3dx7 n GLY 207 N 1.10 0.68 3.93 -3.19 0.00 -0.89 -0.59 105.19 106.23 3dx7 n GLY 207 Ca -0.20 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 3dx7 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dx7 s PHE 208 N -2.39 3.49 -0.19 1.61 -0.12 -1.11 -4.69 117.98 114.57 3dx7 s PHE 208 Ca 0.00 0.23 -0.14 0.00 -0.05 0.00 0.00 56.93 56.97 3dx7 s PHE 208 Cb 0.00 -1.76 0.06 0.00 -0.63 0.00 0.00 43.02 40.69 3dx7 s PHE 208 CO 0.00 0.46 0.49 -0.47 -0.05 0.00 0.00 175.22 175.65 3dx7 s TYR 209 N -1.79 -0.65 0.63 3.49 5.04 -0.36 -0.53 117.35 123.19 3dx7 s TYR 209 Ca 0.36 1.44 -0.11 0.00 -2.44 0.00 0.00 57.07 56.33 3dx7 s TYR 209 Cb -0.11 0.29 0.15 0.00 0.35 0.00 0.00 41.96 42.64 3dx7 s TYR 209 CO 0.29 -0.34 0.70 -0.35 -1.34 0.00 0.00 175.55 174.51 3dx7 n PRO 210 N 3.65 -1.45 0.16 4.97 -0.04 -1.26 -0.32 135.00 140.70 3dx7 n PRO 210 Ca -0.19 -1.10 0.01 0.00 -0.04 0.00 0.00 63.50 62.19 3dx7 n PRO 210 Cb 0.56 -0.86 0.23 0.00 -0.04 0.00 0.00 33.50 33.40 3dx7 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dx7 h ALA 211 N -2.14 0.99 -2.36 0.55 0.00 -1.94 -3.45 119.26 110.91 3dx7 h ALA 211 Ca -0.24 -0.48 -0.56 0.00 0.00 0.00 0.00 54.91 53.63 3dx7 h ALA 211 Cb 0.70 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.45 3dx7 h ALA 211 CO 0.16 0.66 1.02 -1.91 0.00 0.00 0.00 179.25 179.19 3dx7 n GLU 212 N -3.71 2.52 -3.52 0.00 4.07 -1.26 -4.97 120.64 113.78 3dx7 n GLU 212 Ca -0.01 0.92 -0.16 0.00 -0.06 0.00 0.00 57.16 57.85 3dx7 n GLU 212 Cb 0.57 -2.77 -0.05 0.00 -0.06 0.00 0.00 31.44 29.13 3dx7 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3dx7 s ILE 213 N 2.42 0.01 -0.10 6.31 2.07 -1.26 -4.64 121.20 126.00 3dx7 s ILE 213 Ca 0.83 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 3dx7 s ILE 213 Cb -0.57 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.05 3dx7 s ILE 213 CO 0.40 -0.03 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.36 3dx7 s THR 214 N -1.93 1.47 -0.13 4.00 2.01 -0.67 -5.00 115.64 115.39 3dx7 s THR 214 Ca -0.08 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3dx7 s THR 214 Cb -0.01 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.17 3dx7 s THR 214 CO 0.03 0.43 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.43 3dx7 s LEU 215 N 0.93 2.02 -0.00 4.42 1.43 -1.26 -1.27 118.68 124.94 3dx7 s LEU 215 Ca -0.08 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3dx7 s LEU 215 Cb -0.15 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3dx7 s LEU 215 CO -0.01 0.07 -0.01 -0.89 0.23 0.00 0.00 176.35 175.74 3dx7 s THR 216 N 0.85 0.11 -0.12 5.49 2.01 -0.44 -4.96 115.64 118.58 3dx7 s THR 216 Ca -0.07 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 3dx7 s THR 216 Cb -0.15 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3dx7 s THR 216 CO -0.02 0.04 0.04 0.26 -0.69 0.00 0.00 174.62 174.25 3dx7 s TRP 217 N 0.09 3.25 0.04 4.92 0.52 -1.26 0.58 118.94 127.08 3dx7 s TRP 217 Ca -0.01 0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.38 3dx7 s TRP 217 Cb -0.02 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3dx7 s TRP 217 CO -0.00 0.41 -0.20 -0.65 0.02 0.00 0.00 176.95 176.53 3dx7 s GLN 218 N -0.53 2.02 -0.20 4.98 -0.21 0.34 -0.86 119.66 125.19 3dx7 s GLN 218 Ca 0.10 -1.00 -0.00 0.00 0.02 0.00 0.00 55.36 54.47 3dx7 s GLN 218 Cb -0.12 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.76 3dx7 s GLN 218 CO 0.02 0.54 -0.15 0.50 -2.12 0.00 0.00 175.29 174.08 3dx7 s ARG 219 N -1.38 3.03 -1.44 2.91 3.52 -0.19 -1.43 118.95 123.97 3dx7 s ARG 219 Ca 0.14 -0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 54.81 3dx7 s ARG 219 Cb -0.10 -2.72 0.08 0.00 -1.56 0.00 0.00 34.95 30.65 3dx7 s ARG 219 CO 0.04 -0.24 0.70 -0.25 -0.81 0.00 0.00 175.30 174.75 3dx7 n ASP 220 N 4.65 -4.37 0.00 -2.12 8.00 -0.12 -1.35 116.55 121.25 3dx7 n ASP 220 Ca -0.20 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3dx7 n ASP 220 Cb 0.50 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 3dx7 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx7 n GLY 221 N -1.41 0.90 3.57 0.44 0.00 -1.26 -5.03 105.19 102.40 3dx7 n GLY 221 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3dx7 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx7 s GLU 222 N -0.17 3.85 0.31 1.61 0.41 -0.45 -4.99 118.70 119.27 3dx7 s GLU 222 Ca 0.00 -0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 53.86 3dx7 s GLU 222 Cb 0.00 -3.14 -0.12 0.00 -1.78 0.00 0.00 34.13 29.09 3dx7 s GLU 222 CO 0.00 0.21 1.44 -0.25 -0.49 0.00 0.00 175.26 176.17 3dx7 n ASP 223 N 3.68 3.25 -2.44 -0.19 8.00 -1.26 -1.02 116.55 126.57 3dx7 n ASP 223 Ca -0.17 1.18 -0.32 0.00 0.71 0.00 0.00 54.79 56.19 3dx7 n ASP 223 Cb 0.52 -1.53 0.04 0.00 -0.02 0.00 0.00 41.12 40.14 3dx7 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx7 n GLN 224 N 1.30 3.06 0.01 -1.24 1.13 -0.04 -4.85 117.38 116.75 3dx7 n GLN 224 Ca 0.07 -3.78 -0.10 0.00 -1.94 0.00 0.00 57.00 51.24 3dx7 n GLN 224 Cb 0.36 -2.27 -0.05 0.00 0.11 0.00 0.00 30.24 28.39 3dx7 n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3dx7 h THR 225 N 1.83 0.82 0.00 5.09 2.02 -1.91 -0.61 112.91 120.14 3dx7 h THR 225 Ca 0.49 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.66 3dx7 h THR 225 Cb 0.79 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3dx7 h THR 225 CO 1.22 0.00 -0.02 1.56 0.37 0.00 0.00 175.52 178.65 3dx7 h GLN 226 N -0.07 0.00 -0.38 6.66 4.20 -1.99 -2.81 115.11 120.72 3dx7 h GLN 226 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dx7 h GLN 226 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3dx7 h GLN 226 CO -0.13 0.02 0.00 -0.25 -0.67 0.00 0.00 178.83 177.81 3dx7 n ASP 227 N -3.14 3.24 -4.83 1.46 8.00 -0.45 -4.96 116.55 115.87 3dx7 n ASP 227 Ca -0.00 -1.93 -0.36 0.00 0.71 0.00 0.00 54.79 53.21 3dx7 n ASP 227 Cb 0.28 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 3dx7 n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dx7 s THR 228 N -1.25 5.47 -0.32 -3.53 2.01 -0.37 -4.61 115.64 113.05 3dx7 s THR 228 Ca 0.34 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 3dx7 s THR 228 Cb 0.19 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3dx7 s THR 228 CO 0.27 0.56 0.49 -0.70 -0.69 0.00 0.00 174.62 174.54 3dx7 s GLU 229 N -0.59 3.77 -0.19 4.92 2.12 0.60 -4.92 118.70 124.41 3dx7 s GLU 229 Ca 0.13 -0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 3dx7 s GLU 229 Cb -0.12 -3.75 -0.00 0.00 0.26 0.00 0.00 34.13 30.52 3dx7 s GLU 229 CO 0.02 -0.52 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.61 3dx7 s LEU 230 N 2.31 2.67 0.41 2.70 1.43 -1.26 -0.22 118.68 126.72 3dx7 s LEU 230 Ca 0.18 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 3dx7 s LEU 230 Cb -0.16 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 3dx7 s LEU 230 CO 0.12 0.02 0.82 0.68 0.23 0.00 0.00 176.35 178.22 3dx7 s VAL 231 N 1.22 4.68 0.33 -1.59 -7.23 -1.02 -5.02 120.40 111.77 3dx7 s VAL 231 Ca 0.02 0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 60.78 3dx7 s VAL 231 Cb -0.14 -3.69 -0.11 0.00 0.56 0.00 0.00 36.38 32.99 3dx7 s VAL 231 CO -0.04 -0.46 1.53 -0.70 -0.31 0.00 0.00 175.10 175.12 3dx7 s GLU 232 N -3.65 4.13 0.24 4.82 2.12 -1.26 -4.63 118.70 120.47 3dx7 s GLU 232 Ca 0.54 2.56 -0.31 0.00 0.36 0.00 0.00 54.97 58.12 3dx7 s GLU 232 Cb -0.10 -3.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.16 3dx7 s GLU 232 CO 0.27 -0.57 1.51 2.41 -0.54 0.00 0.00 175.26 178.34 3dx7 n THR 233 N 1.31 0.77 -4.24 -1.70 -1.04 -1.26 -4.85 114.28 103.27 3dx7 n THR 233 Ca 0.04 -0.19 -0.17 0.00 -2.04 0.00 0.00 64.05 61.69 3dx7 n THR 233 Cb 0.38 -1.67 -0.13 0.00 -1.82 0.00 0.00 70.33 67.10 3dx7 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dx7 s ARG 234 N -0.14 0.70 0.18 -2.82 1.70 -0.50 -4.95 118.95 113.11 3dx7 s ARG 234 Ca 0.69 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 3dx7 s ARG 234 Cb -0.60 -0.63 -0.08 0.00 -0.57 0.00 0.00 34.95 33.08 3dx7 s ARG 234 CO 0.46 0.15 1.09 -1.25 -1.08 0.00 0.00 175.30 174.67 3dx7 s PRO 235 N -0.91 4.61 0.25 3.89 0.04 -1.26 -0.59 135.00 141.03 3dx7 s PRO 235 Ca -0.01 1.69 0.13 0.00 0.04 0.00 0.00 61.00 62.85 3dx7 s PRO 235 Cb -0.07 -3.28 0.13 0.00 0.04 0.00 0.00 34.50 31.32 3dx7 s PRO 235 CO 0.00 0.10 1.47 0.00 0.04 0.00 0.00 177.00 178.61 3dx7 h ALA 236 N 5.08 0.67 0.00 8.56 0.00 -1.21 -3.47 119.26 128.88 3dx7 h ALA 236 Ca -0.44 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3dx7 h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dx7 h ALA 236 CO 0.72 0.80 0.00 0.41 0.00 0.00 0.00 179.25 181.18 3dx7 n GLY 237 N 0.98 0.57 0.57 0.00 0.00 -1.26 -4.94 105.19 101.10 3dx7 n GLY 237 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3dx7 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dx7 n ASP 238 N 0.00 2.72 0.00 1.61 5.68 -1.26 -4.94 116.55 120.37 3dx7 n ASP 238 Ca 0.00 -3.30 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 3dx7 n ASP 238 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 3dx7 n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3dx7 n ARG 239 N -1.07 0.00 -2.34 0.11 1.85 -1.26 -5.04 116.66 108.91 3dx7 n ARG 239 Ca 0.21 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.81 3dx7 n ARG 239 Cb 0.79 -0.23 0.08 0.00 -1.05 0.00 0.00 32.46 32.05 3dx7 n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3dx7 s THR 240 N -1.86 2.31 0.29 8.89 -4.23 -1.26 -4.88 115.64 114.91 3dx7 s THR 240 Ca 0.00 -0.39 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3dx7 s THR 240 Cb 0.00 -2.92 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 3dx7 s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 3dx7 s PHE 241 N -3.18 1.98 0.07 3.99 0.40 0.31 -0.67 117.98 120.89 3dx7 s PHE 241 Ca 0.62 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 3dx7 s PHE 241 Cb -0.09 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 3dx7 s PHE 241 CO 0.44 0.24 -0.08 -0.65 0.70 0.00 0.00 175.22 175.87 3dx7 s GLN 242 N -3.75 0.67 -0.03 0.44 -0.21 0.24 -2.10 119.66 114.92 3dx7 s GLN 242 Ca 0.31 -0.97 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 3dx7 s GLN 242 Cb 0.05 -0.35 0.08 0.00 1.00 0.00 0.00 33.01 33.79 3dx7 s GLN 242 CO 0.13 0.05 0.73 0.21 -2.12 0.00 0.00 175.29 174.29 3dx7 s LYS 243 N -2.29 1.01 0.05 2.91 2.20 -0.38 -1.41 119.74 121.82 3dx7 s LYS 243 Ca -0.02 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 3dx7 s LYS 243 Cb -0.05 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 3dx7 s LYS 243 CO -0.01 -0.34 -0.03 1.67 -0.36 0.00 0.00 175.35 176.28 3dx7 s TRP 244 N -1.67 0.52 -0.03 4.03 1.48 -1.26 -0.86 118.94 121.15 3dx7 s TRP 244 Ca -0.07 -1.01 0.03 0.00 -1.06 0.00 0.00 56.10 53.99 3dx7 s TRP 244 Cb -0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 33.47 31.93 3dx7 s TRP 244 CO 0.04 -0.35 -0.11 0.00 -4.06 0.00 0.00 176.95 172.47 3dx7 s ALA 245 N -3.68 1.06 0.02 2.67 0.00 -0.47 -2.45 121.76 118.91 3dx7 s ALA 245 Ca 0.05 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.64 3dx7 s ALA 245 Cb 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3dx7 s ALA 245 CO -0.09 0.16 -0.14 0.00 0.00 0.00 0.00 175.76 175.69 3dx7 s ALA 246 N 0.24 1.21 0.07 0.00 0.00 0.70 -0.47 121.76 123.51 3dx7 s ALA 246 Ca -0.05 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.23 3dx7 s ALA 246 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3dx7 s ALA 246 CO 0.01 0.26 -0.18 0.14 0.00 0.00 0.00 175.76 176.00 3dx7 s VAL 247 N -0.61 1.41 -0.26 0.00 -7.23 -0.63 -0.29 120.40 112.78 3dx7 s VAL 247 Ca 0.04 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 3dx7 s VAL 247 Cb -0.07 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3dx7 s VAL 247 CO 0.00 -0.05 0.35 -0.69 -0.31 0.00 0.00 175.10 174.40 3dx7 s VAL 248 N -1.07 5.20 0.05 1.32 1.01 -1.26 -1.18 120.40 124.46 3dx7 s VAL 248 Ca 0.03 0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3dx7 s VAL 248 Cb -0.09 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3dx7 s VAL 248 CO 0.03 0.18 -0.26 -0.69 0.00 0.00 0.00 175.10 174.36 3dx7 s VAL 249 N 1.93 2.18 0.33 2.92 1.01 0.57 -4.95 120.40 124.38 3dx7 s VAL 249 Ca 0.14 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 3dx7 s VAL 249 Cb -0.16 -1.85 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 3dx7 s VAL 249 CO 0.10 0.36 1.42 -2.84 0.00 0.00 0.00 175.10 174.13 3dx7 s PRO 250 N -1.27 4.24 0.20 2.72 0.02 -1.26 -0.92 135.00 138.73 3dx7 s PRO 250 Ca 0.12 2.38 -0.32 0.00 0.02 0.00 0.00 61.00 63.20 3dx7 s PRO 250 Cb -0.10 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 31.25 3dx7 s PRO 250 CO 0.02 -0.39 1.64 0.43 -0.33 0.00 0.00 177.00 178.38 3dx7 n SER 251 N 1.11 3.59 0.00 2.53 7.64 -0.15 -1.44 113.62 126.90 3dx7 n SER 251 Ca 0.02 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.98 3dx7 n SER 251 Cb 0.40 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3dx7 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dx7 n GLY 252 N 3.50 0.72 0.47 0.23 0.00 -1.26 -4.91 105.19 103.94 3dx7 n GLY 252 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3dx7 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dx7 n GLU 253 N -2.00 2.85 -0.21 1.61 1.02 -0.52 -4.77 120.64 118.63 3dx7 n GLU 253 Ca 0.00 -2.00 0.09 0.00 -0.02 0.00 0.00 57.16 55.24 3dx7 n GLU 253 Cb 0.00 -1.26 0.38 0.00 -0.02 0.00 0.00 31.44 30.54 3dx7 n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3dx7 h GLU 254 N 1.37 0.67 0.00 3.49 3.07 -1.91 -0.98 114.58 120.29 3dx7 h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3dx7 h GLU 254 Cb 0.75 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3dx7 h GLU 254 CO 0.02 0.45 0.00 1.04 -1.40 0.00 0.00 179.01 179.12 3dx7 n GLN 255 N -4.51 0.40 0.00 2.33 1.13 -1.26 -2.15 117.38 113.33 3dx7 n GLN 255 Ca 0.13 0.05 0.14 0.00 -1.94 0.00 0.00 57.00 55.38 3dx7 n GLN 255 Cb 0.34 -1.50 0.66 0.00 0.11 0.00 0.00 30.24 29.85 3dx7 n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3dx7 n ARG 256 N -1.25 0.43 -4.33 -1.09 1.74 -0.37 -4.83 116.66 106.96 3dx7 n ARG 256 Ca 0.13 -0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.78 3dx7 n ARG 256 Cb 0.18 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 3dx7 n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dx7 s TYR 257 N -2.63 3.14 -0.03 -1.55 1.51 -0.91 -0.94 117.35 115.93 3dx7 s TYR 257 Ca 0.25 0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.38 3dx7 s TYR 257 Cb 0.20 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 3dx7 s TYR 257 CO 0.49 0.29 -0.10 0.99 -1.11 0.00 0.00 175.55 176.11 3dx7 s THR 258 N -0.36 0.84 -0.12 -0.71 2.01 -0.51 -4.65 115.64 112.14 3dx7 s THR 258 Ca 0.07 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 3dx7 s THR 258 Cb -0.12 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 3dx7 s THR 258 CO 0.02 0.26 0.22 0.00 -0.69 0.00 0.00 174.62 174.44 3dx7 s HIS 260 N -0.44 2.52 -0.11 0.00 3.76 0.19 -0.88 115.29 120.34 3dx7 s HIS 260 Ca 0.16 -1.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 3dx7 s HIS 260 Cb -0.13 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 31.88 3dx7 s HIS 260 CO 0.05 -0.42 -0.19 0.08 -0.85 0.00 0.00 174.74 173.41 3dx7 s VAL 261 N 0.36 1.75 -0.10 -0.90 1.01 0.17 -1.33 120.40 121.35 3dx7 s VAL 261 Ca -0.19 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3dx7 s VAL 261 Cb -0.18 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3dx7 s VAL 261 CO 0.09 0.49 -0.20 -1.10 0.00 0.00 0.00 175.10 174.37 3dx7 s GLN 262 N 0.69 2.68 -0.09 2.72 -0.21 -0.40 -0.91 119.66 124.14 3dx7 s GLN 262 Ca -0.12 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.28 3dx7 s GLN 262 Cb -0.16 -2.11 0.05 0.00 1.00 0.00 0.00 33.01 31.79 3dx7 s GLN 262 CO 0.03 0.07 0.56 -1.58 -2.12 0.00 0.00 175.29 172.25 3dx7 s HIS 263 N 0.60 -0.54 0.44 0.91 2.46 -1.26 -1.66 115.29 116.25 3dx7 s HIS 263 Ca -0.14 1.05 0.28 0.00 0.47 0.00 0.00 55.06 56.72 3dx7 s HIS 263 Cb -0.17 0.27 1.51 0.00 -0.13 0.00 0.00 32.58 34.07 3dx7 s HIS 263 CO 0.04 -0.46 2.10 1.05 -2.47 0.00 0.00 174.74 175.00 3dx7 h GLU 264 N 3.89 0.00 0.00 2.88 4.11 -1.94 -1.48 114.58 122.04 3dx7 h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3dx7 h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dx7 h GLU 264 CO 0.32 0.10 0.00 0.41 0.07 0.00 0.00 179.01 179.90 3dx7 n GLY 265 N -0.80 -1.23 3.79 1.06 0.00 -1.26 -4.77 105.19 101.97 3dx7 n GLY 265 Ca -0.02 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3dx7 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx7 s LEU 266 N -3.17 4.41 0.31 0.99 1.43 -0.56 -4.49 118.68 117.60 3dx7 s LEU 266 Ca 0.09 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.13 3dx7 s LEU 266 Cb 0.13 -2.67 0.49 0.00 0.03 0.00 0.00 46.19 44.17 3dx7 s LEU 266 CO 0.38 0.20 1.97 -0.65 0.23 0.00 0.00 176.35 178.49 3dx7 h PRO 267 N 5.43 1.01 -3.90 1.29 0.11 -1.86 -3.45 132.00 130.63 3dx7 h PRO 267 Ca -0.47 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 3dx7 h PRO 267 Cb 1.20 -0.23 -0.16 0.00 0.11 0.00 0.00 31.00 31.93 3dx7 h PRO 267 CO 0.67 0.68 -0.50 0.15 -0.21 0.00 0.00 178.00 178.79 3dx7 s LYS 268 N -5.85 0.70 0.49 1.05 1.02 -1.26 -5.14 119.74 110.75 3dx7 s LYS 268 Ca -0.11 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 54.71 3dx7 s LYS 268 Cb 0.18 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.69 3dx7 s LYS 268 CO 0.79 -0.19 1.30 -2.30 -0.92 0.00 0.00 175.35 174.03 3dx7 n PRO 269 N 0.29 1.79 -4.07 -1.68 -0.02 -1.26 -4.93 135.00 125.12 3dx7 n PRO 269 Ca -0.16 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 3dx7 n PRO 269 Cb 0.61 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3dx7 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dx7 s LEU 270 N -2.53 4.01 -0.12 2.45 1.02 -0.09 -4.94 118.68 118.49 3dx7 s LEU 270 Ca 0.66 0.22 0.03 0.00 0.02 0.00 0.00 54.13 55.07 3dx7 s LEU 270 Cb -0.46 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.50 3dx7 s LEU 270 CO 0.54 0.30 -0.23 -0.89 0.02 0.00 0.00 176.35 176.08 3dx7 s THR 271 N -1.16 2.06 0.11 5.49 2.01 -1.26 -0.66 115.64 122.23 3dx7 s THR 271 Ca 0.22 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3dx7 s THR 271 Cb -0.12 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3dx7 s THR 271 CO 0.12 0.56 -0.01 -1.48 -0.69 0.00 0.00 174.62 173.12 3dx7 s LEU 272 N 0.52 2.22 0.18 4.42 2.34 -0.06 -4.98 118.68 123.32 3dx7 s LEU 272 Ca -0.14 -1.09 0.00 0.00 0.06 0.00 0.00 54.13 52.96 3dx7 s LEU 272 Cb -0.17 0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.53 3dx7 s LEU 272 CO 0.05 -0.60 0.05 -0.13 -1.06 0.00 0.00 176.35 174.66 3dx7 s ARG 273 N -3.93 1.11 0.08 1.48 0.52 -1.26 -0.59 118.95 116.36 3dx7 s ARG 273 Ca 0.16 -1.55 -0.31 0.00 -0.52 0.00 0.00 55.73 53.51 3dx7 s ARG 273 Cb 0.07 -0.04 -0.09 0.00 0.52 0.00 0.00 34.95 35.41 3dx7 s ARG 273 CO -0.03 -0.23 1.83 -0.46 0.02 0.00 0.00 175.30 176.43 3dx7 s TRP 274 N -3.86 1.96 -0.63 -0.53 -0.00 -1.26 -4.59 118.94 110.03 3dx7 s TRP 274 Ca 0.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 56.10 56.30 3dx7 s TRP 274 Cb 0.07 -4.15 0.16 0.00 -0.00 0.00 0.00 33.47 29.55 3dx7 s TRP 274 CO 0.06 -4.84 0.43 -1.21 -0.00 0.00 0.00 176.95 171.39 3dx7 s GLU 275 N 3.22 2.50 0.00 5.86 2.02 -1.26 -4.96 118.70 126.07 3dx7 s GLU 275 Ca 0.81 -2.63 0.25 0.00 0.02 0.00 0.00 54.97 53.42 3dx7 s GLU 275 Cb -0.44 -3.66 1.47 0.00 0.10 0.00 0.00 34.13 31.60 3dx7 s GLU 275 CO 0.37 -1.17 1.83 -0.35 0.02 0.00 0.00 175.26 175.95