#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqb s ILE 2 N 0.00 0.77 -0.58 2.02 -1.09 -1.22 -4.92 121.20 116.17 3gqb s ILE 2 Ca 0.00 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 3gqb s ILE 2 Cb 0.00 -0.69 0.15 0.00 -1.58 0.00 0.00 42.46 40.33 3gqb s ILE 2 CO 0.00 0.02 0.37 -1.10 -1.23 0.00 0.00 174.94 173.00 3gqb s GLN 3 N -0.74 2.32 0.00 2.79 -1.52 -1.26 -1.46 119.66 119.78 3gqb s GLN 3 Ca 0.00 -2.60 0.00 0.00 -1.95 0.00 0.00 55.36 50.81 3gqb s GLN 3 Cb -0.06 -3.55 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 3gqb s GLN 3 CO 0.00 -1.15 0.00 0.41 -0.25 0.00 0.00 175.29 174.31 3gqb n GLY 4 N 3.27 3.22 3.23 3.09 0.00 -0.21 -4.58 105.19 113.21 3gqb n GLY 4 Ca 0.07 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 3gqb n GLY 4 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqb s VAL 5 N -0.03 0.26 -0.26 1.61 -7.23 -0.71 -1.17 120.40 112.87 3gqb s VAL 5 Ca 0.00 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 3gqb s VAL 5 Cb 0.00 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.55 3gqb s VAL 5 CO 0.00 -0.16 0.92 -0.63 -0.31 0.00 0.00 175.10 174.92 3gqb s ILE 6 N -3.96 4.74 -0.12 -0.62 1.01 -0.45 -0.26 121.20 121.54 3gqb s ILE 6 Ca 0.34 1.66 0.17 0.00 0.00 0.00 0.00 60.65 62.82 3gqb s ILE 6 Cb 0.07 -4.22 -0.18 0.00 0.01 0.00 0.00 42.46 38.15 3gqb s ILE 6 CO 0.09 -0.19 0.67 1.67 0.00 0.00 0.00 174.94 177.18 3gqb n GLN 7 N 6.25 0.63 -3.63 2.79 7.27 0.29 -1.14 117.38 129.84 3gqb n GLN 7 Ca 0.08 0.16 -0.16 0.00 0.07 0.00 0.00 57.00 57.15 3gqb n GLN 7 Cb 0.47 -1.74 -0.07 0.00 2.41 0.00 0.00 30.24 31.31 3gqb n GLN 7 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3gqb s LYS 8 N -2.89 0.85 -0.05 3.69 2.20 -1.10 -4.94 119.74 117.51 3gqb s LYS 8 Ca -0.05 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 3gqb s LYS 8 Cb 0.09 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.83 3gqb s LYS 8 CO 0.82 -0.24 0.01 0.42 -0.36 0.00 0.00 175.35 176.01 3gqb s ILE 9 N -0.99 0.22 -0.29 5.43 1.01 -1.26 -1.88 121.20 123.44 3gqb s ILE 9 Ca -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 3gqb s ILE 9 Cb -0.03 -0.39 0.11 0.00 0.01 0.00 0.00 42.46 42.16 3gqb s ILE 9 CO 0.06 0.22 0.16 0.00 0.00 0.00 0.00 174.94 175.38 3gqb s ALA 10 N 1.79 0.41 0.00 9.38 0.00 -0.31 -5.04 121.76 127.99 3gqb s ALA 10 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3gqb s ALA 10 Cb -0.13 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3gqb s ALA 10 CO -0.04 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.47 3gqb n GLY 11 N 5.26 2.51 0.00 0.00 0.00 -1.26 -1.44 105.19 110.26 3gqb n GLY 11 Ca -0.05 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.62 3gqb n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqb n PRO 12 N 12.78 0.78 -3.62 1.61 -0.04 -1.26 -4.66 135.00 140.59 3gqb n PRO 12 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3gqb n PRO 12 Cb 0.00 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 3gqb n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gqb s ALA 13 N -2.00 3.66 0.00 0.55 0.00 -0.52 0.30 121.76 123.75 3gqb s ALA 13 Ca 0.34 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.80 3gqb s ALA 13 Cb 0.16 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 3gqb s ALA 13 CO 0.26 0.19 -0.08 0.08 0.00 0.00 0.00 175.76 176.22 3gqb s VAL 14 N 0.18 0.60 -0.25 0.00 1.01 -0.20 -1.16 120.40 120.57 3gqb s VAL 14 Ca 0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3gqb s VAL 14 Cb -0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3gqb s VAL 14 CO 0.03 0.08 0.03 -0.63 0.00 0.00 0.00 175.10 174.62 3gqb s ILE 15 N -0.36 3.87 -0.08 2.22 1.01 -0.79 0.54 121.20 127.61 3gqb s ILE 15 Ca 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 3gqb s ILE 15 Cb -0.04 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 3gqb s ILE 15 CO -0.00 0.28 0.24 0.00 0.00 0.00 0.00 174.94 175.46 3gqb s ALA 16 N 1.53 3.80 0.24 9.38 0.00 -0.15 0.10 121.76 136.67 3gqb s ALA 16 Ca 0.05 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.59 3gqb s ALA 16 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 3gqb s ALA 16 CO 0.01 0.54 0.12 -1.59 0.00 0.00 0.00 175.76 174.83 3gqb s LYS 17 N -0.94 2.71 0.00 0.00 -2.85 0.64 -1.71 119.74 117.59 3gqb s LYS 17 Ca 0.18 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 3gqb s LYS 17 Cb -0.14 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 3gqb s LYS 17 CO 0.07 0.41 0.00 0.41 0.10 0.00 0.00 175.35 176.33 3gqb n GLY 18 N -0.92 1.64 3.40 0.59 0.00 -0.83 -1.74 105.19 107.34 3gqb n GLY 18 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3gqb n GLY 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gqb n MET 19 N -2.00 1.23 -2.73 1.61 2.81 -1.26 -4.47 117.12 112.32 3gqb n MET 19 Ca 0.00 -2.01 -0.42 0.00 -1.81 0.00 0.00 57.70 53.46 3gqb n MET 19 Cb 0.00 -3.33 -0.03 0.00 -0.71 0.00 0.00 33.22 29.15 3gqb n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3gqb s LEU 20 N 7.01 4.37 0.00 4.03 1.43 -1.26 -3.50 118.68 130.76 3gqb s LEU 20 Ca 0.66 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3gqb s LEU 20 Cb 0.06 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3gqb s LEU 20 CO 0.16 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3gqb n GLY 21 N 2.91 0.73 3.57 -3.19 0.00 -1.26 -4.91 105.19 103.05 3gqb n GLY 21 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3gqb n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb n ALA 22 N 0.80 -0.56 -2.59 4.61 0.00 -1.23 -5.03 120.51 116.52 3gqb n ALA 22 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 3gqb n ALA 22 Cb 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.29 3gqb n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqb s ARG 23 N -3.12 1.00 -0.11 0.00 0.52 -1.26 -5.08 118.95 110.90 3gqb s ARG 23 Ca 0.71 -1.11 -0.36 0.00 -0.52 0.00 0.00 55.73 54.46 3gqb s ARG 23 Cb -0.35 -1.12 -0.14 0.00 0.52 0.00 0.00 34.95 33.86 3gqb s ARG 23 CO 0.52 0.25 1.76 -1.33 0.02 0.00 0.00 175.30 176.52 3gqb n MET 24 N 1.05 1.75 -0.71 3.54 2.81 -1.26 -2.25 117.12 122.04 3gqb n MET 24 Ca -0.19 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 3gqb n MET 24 Cb 0.54 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.65 3gqb n MET 24 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3gqb n TYR 25 N 5.52 0.00 -1.96 2.03 4.02 -0.13 -4.94 117.16 121.70 3gqb n TYR 25 Ca 0.23 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.74 3gqb n TYR 25 Cb 0.23 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.57 3gqb n TYR 25 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3gqb s ASP 26 N -3.15 5.68 0.19 7.72 1.01 -0.96 -3.86 116.67 123.31 3gqb s ASP 26 Ca 0.00 2.62 -0.29 0.00 0.71 0.00 0.00 52.55 55.59 3gqb s ASP 26 Cb 0.00 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 3gqb s ASP 26 CO 0.00 -1.28 0.90 -0.63 0.21 0.00 0.00 175.17 174.37 3gqb s ILE 27 N -1.37 4.24 0.27 0.77 1.09 0.11 -2.49 121.20 123.82 3gqb s ILE 27 Ca 0.67 1.98 0.11 0.00 -1.10 0.00 0.00 60.65 62.31 3gqb s ILE 27 Cb -0.37 -4.27 -0.05 0.00 -1.06 0.00 0.00 42.46 36.71 3gqb s ILE 27 CO 0.44 0.47 -0.11 -0.44 -0.10 0.00 0.00 174.94 175.20 3gqb s SER 28 N -0.91 4.03 -0.21 3.58 0.01 0.62 0.07 113.70 120.90 3gqb s SER 28 Ca 0.41 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.83 3gqb s SER 28 Cb -0.25 -0.55 0.04 0.00 0.21 0.00 0.00 66.02 65.47 3gqb s SER 28 CO 0.30 0.02 -0.13 -0.54 0.41 0.00 0.00 173.24 173.30 3gqb s LYS 29 N -3.58 2.35 -0.14 12.44 1.02 0.30 -1.00 119.74 131.14 3gqb s LYS 29 Ca 0.31 -0.98 -0.00 0.00 0.02 0.00 0.00 55.97 55.32 3gqb s LYS 29 Cb -0.06 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3gqb s LYS 29 CO 0.17 -0.40 -0.13 0.08 -0.92 0.00 0.00 175.35 174.15 3gqb s VAL 30 N 1.29 3.01 0.00 3.17 1.01 0.32 -1.55 120.40 127.65 3gqb s VAL 30 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3gqb s VAL 30 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3gqb s VAL 30 CO -0.09 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3gqb n GLY 31 N 3.62 -1.13 0.20 4.51 0.00 -0.04 -0.64 105.19 111.71 3gqb n GLY 31 Ca -0.18 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.30 3gqb n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gqb h GLU 32 N 0.00 0.00 0.00 1.61 5.08 -1.93 -2.57 114.58 116.77 3gqb h GLU 32 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gqb h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gqb h GLU 32 CO 0.00 0.32 0.00 0.39 -1.00 0.00 0.00 179.01 178.72 3gqb n GLU 33 N -3.76 0.22 -2.29 2.33 1.02 -1.26 -4.92 120.64 111.99 3gqb n GLU 33 Ca -0.01 0.23 -0.09 0.00 -0.02 0.00 0.00 57.16 57.27 3gqb n GLU 33 Cb 0.41 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3gqb n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqb n GLY 34 N 1.12 0.08 3.55 0.62 0.00 -0.97 -4.83 105.19 104.77 3gqb n GLY 34 Ca 0.05 -0.50 -0.49 0.00 0.00 0.00 0.00 46.02 45.09 3gqb n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gqb n LEU 35 N -1.38 1.16 -4.75 0.99 4.77 0.18 -3.91 117.00 114.06 3gqb n LEU 35 Ca -0.08 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 56.64 3gqb n LEU 35 Cb 0.57 -1.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3gqb n LEU 35 CO 0.14 -1.55 0.58 -0.69 -1.33 0.00 0.00 177.39 174.54 3gqb s VAL 36 N -0.43 4.41 0.35 4.08 1.01 -1.26 0.12 120.40 128.68 3gqb s VAL 36 Ca 0.71 1.90 -0.12 0.00 0.00 0.00 0.00 61.98 64.47 3gqb s VAL 36 Cb -0.86 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 31.31 3gqb s VAL 36 CO 0.54 0.42 0.67 -0.83 0.00 0.00 0.00 175.10 175.90 3gqb s GLY 37 N -0.55 0.67 -0.06 4.51 0.00 -0.17 -0.97 107.32 110.75 3gqb s GLY 37 Ca 0.41 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 44.22 3gqb s GLY 37 CO 0.28 -0.52 -0.18 -0.54 0.00 0.00 0.00 173.10 172.14 3gqb s GLU 38 N -2.80 2.05 -0.09 2.90 2.02 -0.66 0.23 118.70 122.35 3gqb s GLU 38 Ca 0.20 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 3gqb s GLU 38 Cb -0.03 -1.71 -0.06 0.00 0.10 0.00 0.00 34.13 32.43 3gqb s GLU 38 CO 0.13 0.21 1.79 0.42 0.02 0.00 0.00 175.26 177.84 3gqb s ILE 39 N 0.18 3.39 -0.78 -1.63 1.01 -1.04 0.05 121.20 122.38 3gqb s ILE 39 Ca -0.08 0.46 0.12 0.00 0.00 0.00 0.00 60.65 61.15 3gqb s ILE 39 Cb -0.14 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 3gqb s ILE 39 CO 0.04 -0.09 0.58 2.30 0.00 0.00 0.00 174.94 177.76 3gqb n ILE 40 N 5.98 0.00 -3.68 2.92 -5.35 0.20 -0.96 119.36 118.47 3gqb n ILE 40 Ca 0.20 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.24 3gqb n ILE 40 Cb 0.43 1.06 -0.09 0.00 -1.74 0.00 0.00 39.64 39.31 3gqb n ILE 40 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3gqb s ARG 41 N -1.84 0.67 -0.17 6.28 3.52 -1.23 -4.97 118.95 121.22 3gqb s ARG 41 Ca 0.07 0.59 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3gqb s ARG 41 Cb 0.09 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3gqb s ARG 41 CO 0.39 -0.11 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.06 3gqb s LEU 42 N -0.04 2.10 -0.20 -0.88 1.43 -1.26 -0.82 118.68 119.00 3gqb s LEU 42 Ca -0.03 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3gqb s LEU 42 Cb -0.03 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.79 3gqb s LEU 42 CO 0.02 0.02 0.01 -0.62 0.23 0.00 0.00 176.35 176.01 3gqb s ASP 43 N 1.18 3.14 0.89 2.29 3.68 -0.24 -5.02 116.67 122.59 3gqb s ASP 43 Ca 0.02 -0.90 0.00 0.00 2.13 0.00 0.00 52.55 53.80 3gqb s ASP 43 Cb -0.14 -0.76 0.00 0.00 -1.45 0.00 0.00 42.92 40.58 3gqb s ASP 43 CO -0.10 -0.28 0.00 0.61 0.13 0.00 0.00 175.17 175.53 3gqb n GLY 44 N 4.94 0.69 0.79 2.66 0.00 -1.26 -0.98 105.19 112.04 3gqb n GLY 44 Ca -0.10 0.65 0.06 0.00 0.00 0.00 0.00 46.02 46.62 3gqb n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gqb n ASP 45 N 7.34 3.17 -4.06 1.61 5.75 -1.26 -4.97 116.55 124.13 3gqb n ASP 45 Ca 0.00 -3.25 -0.12 0.00 -0.01 0.00 0.00 54.79 51.42 3gqb n ASP 45 Cb 0.00 -0.54 -0.11 0.00 -1.03 0.00 0.00 41.12 39.43 3gqb n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3gqb s THR 46 N -2.96 0.46 -0.04 2.12 -4.23 -0.15 -1.96 115.64 108.89 3gqb s THR 46 Ca 0.41 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 3gqb s THR 46 Cb 0.35 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.50 3gqb s THR 46 CO 0.05 -0.48 -0.11 0.00 -0.54 0.00 0.00 174.62 173.54 3gqb s ALA 47 N -1.73 1.02 -0.23 3.99 0.00 -0.70 -1.08 121.76 123.04 3gqb s ALA 47 Ca -0.08 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 3gqb s ALA 47 Cb -0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 3gqb s ALA 47 CO -0.01 0.15 0.72 -0.06 0.00 0.00 0.00 175.76 176.56 3gqb s PHE 48 N 0.29 3.33 -0.17 0.00 2.99 -0.00 -0.97 117.98 123.44 3gqb s PHE 48 Ca -0.06 1.00 -0.02 0.00 0.00 0.00 0.00 56.93 57.85 3gqb s PHE 48 Cb -0.11 -2.92 -0.02 0.00 0.00 0.00 0.00 43.02 39.98 3gqb s PHE 48 CO 0.01 -0.31 -0.07 0.08 -0.00 0.00 0.00 175.22 174.93 3gqb s VAL 49 N 2.44 3.38 -0.31 -0.44 1.01 0.19 0.60 120.40 127.28 3gqb s VAL 49 Ca 0.31 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3gqb s VAL 49 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3gqb s VAL 49 CO 0.09 0.48 0.49 -1.58 0.00 0.00 0.00 175.10 174.58 3gqb s GLN 50 N 0.80 3.84 -0.16 2.72 2.00 0.11 -1.03 119.66 127.94 3gqb s GLN 50 Ca -0.03 0.05 -0.21 0.00 -2.00 0.00 0.00 55.36 53.17 3gqb s GLN 50 Cb -0.15 -3.73 -0.03 0.00 0.80 0.00 0.00 33.01 29.90 3gqb s GLN 50 CO 0.01 -0.48 0.64 0.08 -0.50 0.00 0.00 175.29 175.04 3gqb s VAL 51 N 2.32 5.04 0.35 1.34 1.01 0.15 -1.65 120.40 128.96 3gqb s VAL 51 Ca 0.19 1.24 0.39 0.00 0.00 0.00 0.00 61.98 63.80 3gqb s VAL 51 Cb -0.16 -3.96 0.41 0.00 0.00 0.00 0.00 36.38 32.67 3gqb s VAL 51 CO 0.11 0.16 2.16 1.88 0.00 0.00 0.00 175.10 179.42 3gqb h TYR 52 N 7.22 0.00 -2.73 5.22 0.99 -1.36 -3.46 116.97 122.85 3gqb h TYR 52 Ca -0.35 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 59.90 3gqb h TYR 52 Cb 1.16 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 38.75 3gqb h TYR 52 CO 0.69 0.00 -0.61 -1.83 -0.00 0.00 0.00 178.16 176.41 3gqb s GLU 53 N -3.89 1.67 0.09 4.88 -1.05 -1.26 -4.65 118.70 114.49 3gqb s GLU 53 Ca -0.02 -1.93 -0.35 0.00 -0.15 0.00 0.00 54.97 52.53 3gqb s GLU 53 Cb 0.11 -0.95 -0.14 0.00 -0.44 0.00 0.00 34.13 32.71 3gqb s GLU 53 CO 0.46 -0.16 1.61 -3.47 0.95 0.00 0.00 175.26 174.65 3gqb n ASP 54 N -0.71 2.93 0.01 0.83 4.64 -1.26 -4.89 116.55 118.11 3gqb n ASP 54 Ca -0.03 1.07 0.11 0.00 -1.38 0.00 0.00 54.79 54.56 3gqb n ASP 54 Cb 0.66 -1.37 0.11 0.00 -1.04 0.00 0.00 41.12 39.49 3gqb n ASP 54 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3gqb n THR 55 N 3.66 0.09 -1.66 5.18 -2.24 -1.26 -4.97 114.28 113.08 3gqb n THR 55 Ca 0.19 -0.11 -0.47 0.00 -2.27 0.00 0.00 64.05 61.39 3gqb n THR 55 Cb 0.27 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 3gqb n THR 55 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gqb n SER 56 N -1.71 2.90 0.00 3.42 3.41 -1.26 -1.85 113.62 118.53 3gqb n SER 56 Ca 0.04 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3gqb n SER 56 Cb 0.38 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 3gqb n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqb n GLY 57 N 3.29 1.49 3.76 5.00 0.00 -1.26 -5.09 105.19 112.38 3gqb n GLY 57 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3gqb n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 58 N 0.00 3.73 0.10 0.99 1.43 -0.77 -5.03 118.68 119.13 3gqb s LEU 58 Ca 0.00 2.33 0.10 0.00 -1.03 0.00 0.00 54.13 55.52 3gqb s LEU 58 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 3gqb s LEU 58 CO 0.00 -1.41 -0.24 -0.54 0.23 0.00 0.00 176.35 174.39 3gqb s LYS 59 N -3.24 1.65 0.23 1.70 1.02 -1.26 -5.07 119.74 114.77 3gqb s LYS 59 Ca 0.75 -1.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.21 3gqb s LYS 59 Cb -0.28 -1.99 -0.14 0.00 -0.52 0.00 0.00 37.83 34.89 3gqb s LYS 59 CO 0.32 0.48 1.23 0.28 -0.92 0.00 0.00 175.35 176.73 3gqb n VAL 60 N 1.19 1.22 0.00 3.17 0.31 -1.26 -2.97 118.33 119.98 3gqb n VAL 60 Ca -0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 3gqb n VAL 60 Cb 0.53 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3gqb n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqb n GLY 61 N 1.81 1.45 3.78 2.92 0.00 -0.29 -4.96 105.19 109.90 3gqb n GLY 61 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3gqb n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqb s GLU 62 N -0.52 2.39 0.65 1.61 2.02 -1.16 -4.45 118.70 119.23 3gqb s GLU 62 Ca 0.00 1.08 -0.17 0.00 0.02 0.00 0.00 54.97 55.90 3gqb s GLU 62 Cb 0.00 -1.92 -0.00 0.00 0.10 0.00 0.00 34.13 32.31 3gqb s GLU 62 CO 0.00 -1.52 1.17 -2.14 0.02 0.00 0.00 175.26 172.79 3gqb s PRO 63 N -4.95 2.70 -0.03 0.39 0.02 -1.26 -1.34 135.00 130.52 3gqb s PRO 63 Ca 0.60 1.67 -0.01 0.00 0.02 0.00 0.00 61.00 63.28 3gqb s PRO 63 Cb -0.16 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.48 3gqb s PRO 63 CO 0.56 -1.38 0.04 0.08 -0.33 0.00 0.00 177.00 175.96 3gqb s VAL 64 N -1.94 -0.03 -0.03 3.83 1.01 -0.32 -0.86 120.40 122.06 3gqb s VAL 64 Ca 0.73 0.29 0.01 0.00 0.00 0.00 0.00 61.98 63.01 3gqb s VAL 64 Cb -0.27 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 35.98 3gqb s VAL 64 CO 0.39 0.14 -0.05 0.68 0.00 0.00 0.00 175.10 176.26 3gqb s VAL 65 N 1.57 0.52 0.15 2.92 -7.23 -0.59 -1.05 120.40 116.68 3gqb s VAL 65 Ca -0.03 -0.15 -0.27 0.00 -1.81 0.00 0.00 61.98 59.73 3gqb s VAL 65 Cb -0.13 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 36.22 3gqb s VAL 65 CO -0.03 0.20 0.83 -0.55 -0.31 0.00 0.00 175.10 175.24 3gqb s SER 66 N 0.68 7.42 0.03 4.85 0.15 -0.54 -0.54 113.70 125.75 3gqb s SER 66 Ca -0.09 1.68 0.28 0.00 0.70 0.00 0.00 55.95 58.52 3gqb s SER 66 Cb -0.12 -2.53 1.03 0.00 -1.71 0.00 0.00 66.02 62.69 3gqb s SER 66 CO 0.00 0.13 1.80 1.07 1.20 0.00 0.00 173.24 177.44 3gqb n THR 67 N 1.97 0.09 -1.00 6.45 5.66 0.11 -3.42 114.28 124.14 3gqb n THR 67 Ca -0.03 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3gqb n THR 67 Cb 0.49 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 3gqb n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gqb n GLY 68 N 1.47 0.41 3.05 1.09 0.00 -1.26 -4.57 105.19 105.38 3gqb n GLY 68 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3gqb n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 69 N 0.00 1.40 1.18 0.99 1.43 -1.26 -4.89 118.68 117.54 3gqb s LEU 69 Ca 0.00 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 3gqb s LEU 69 Cb 0.00 0.58 0.28 0.00 0.03 0.00 0.00 46.19 47.08 3gqb s LEU 69 CO 0.00 -0.11 1.05 -2.16 0.23 0.00 0.00 176.35 175.36 3gqb s PRO 70 N -0.16 -1.05 0.11 1.29 0.04 -1.26 0.06 135.00 134.03 3gqb s PRO 70 Ca -0.02 0.31 -0.31 0.00 0.04 0.00 0.00 61.00 61.01 3gqb s PRO 70 Cb -0.02 -1.58 -0.11 0.00 0.04 0.00 0.00 34.50 32.83 3gqb s PRO 70 CO 0.00 -3.68 1.85 -0.11 0.04 0.00 0.00 177.00 175.11 3gqb n LEU 71 N -4.80 4.02 -4.40 -3.56 7.94 -1.25 -4.67 117.00 110.27 3gqb n LEU 71 Ca 0.08 0.98 -0.20 0.00 -1.11 0.00 0.00 56.01 55.76 3gqb n LEU 71 Cb 0.58 -1.53 -0.10 0.00 0.53 0.00 0.00 43.42 42.89 3gqb n LEU 71 CO 0.51 0.16 -0.25 0.00 -1.11 0.00 0.00 177.39 176.71 3gqb s ALA 72 N 2.92 2.16 0.10 1.96 0.00 -1.26 -1.70 121.76 125.95 3gqb s ALA 72 Ca 0.83 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3gqb s ALA 72 Cb -0.49 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3gqb s ALA 72 CO 0.38 -0.39 -0.18 0.54 0.00 0.00 0.00 175.76 176.11 3gqb s VAL 73 N -3.49 1.55 -0.24 0.00 0.11 -0.10 -4.86 120.40 113.37 3gqb s VAL 73 Ca 0.35 -1.55 -0.15 0.00 -2.93 0.00 0.00 61.98 57.70 3gqb s VAL 73 Cb 0.07 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 3gqb s VAL 73 CO 0.15 -0.16 0.37 -1.61 -3.33 0.00 0.00 175.10 170.52 3gqb s GLU 74 N -2.05 4.09 -0.34 1.54 2.02 -1.26 -1.57 118.70 121.13 3gqb s GLU 74 Ca 0.06 0.09 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 3gqb s GLU 74 Cb -0.09 -3.60 0.08 0.00 0.10 0.00 0.00 34.13 30.62 3gqb s GLU 74 CO 0.04 -0.16 0.07 -0.51 0.02 0.00 0.00 175.26 174.72 3gqb s LEU 75 N 1.70 4.47 0.00 1.80 1.43 0.64 -4.89 118.68 123.82 3gqb s LEU 75 Ca 0.16 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.57 3gqb s LEU 75 Cb -0.15 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3gqb s LEU 75 CO 0.09 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.91 3gqb n GLY 76 N 4.53 -0.60 3.72 -3.19 0.00 -1.26 -1.74 105.19 106.65 3gqb n GLY 76 Ca -0.07 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3gqb n GLY 76 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gqb s PRO 77 N -0.02 4.36 0.00 1.61 0.02 -1.26 -4.23 135.00 135.48 3gqb s PRO 77 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.03 3gqb s PRO 77 Cb 0.00 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3gqb s PRO 77 CO 0.00 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 3gqb n GLY 78 N 3.21 -0.85 0.12 0.52 0.00 -1.26 -4.75 105.19 102.18 3gqb n GLY 78 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3gqb n GLY 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gqb n MET 79 N 0.00 0.67 -1.80 1.61 2.81 -1.26 -4.75 117.12 114.40 3gqb n MET 79 Ca 0.00 0.13 -0.39 0.00 -1.81 0.00 0.00 57.70 55.63 3gqb n MET 79 Cb 0.00 -1.55 0.03 0.00 -0.71 0.00 0.00 33.22 30.99 3gqb n MET 79 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3gqb s LEU 80 N -6.35 3.98 0.00 4.03 1.43 -1.26 -0.35 118.68 120.16 3gqb s LEU 80 Ca -0.27 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3gqb s LEU 80 Cb 0.08 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.19 3gqb s LEU 80 CO 0.67 -1.37 0.00 -3.20 0.23 0.00 0.00 176.35 172.68 3gqb n ASN 81 N -0.62 -5.52 -4.93 2.29 5.15 -0.16 -4.97 115.26 106.50 3gqb n ASN 81 Ca 0.08 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.80 3gqb n ASN 81 Cb 0.44 -3.34 -0.01 0.00 -0.53 0.00 0.00 39.78 36.33 3gqb n ASN 81 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3gqb s GLY 82 N -1.92 1.42 -0.31 8.20 0.00 0.52 -5.00 107.32 110.23 3gqb s GLY 82 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.98 3gqb s GLY 82 CO 0.00 -0.64 0.08 -0.42 0.00 0.00 0.00 173.10 172.12 3gqb s ILE 83 N -2.47 1.15 0.14 0.90 1.01 -1.26 -2.67 121.20 118.01 3gqb s ILE 83 Ca 0.43 -1.52 0.06 0.00 0.00 0.00 0.00 60.65 59.61 3gqb s ILE 83 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3gqb s ILE 83 CO 0.39 -0.61 0.04 -0.31 0.00 0.00 0.00 174.94 174.45 3gqb s TYR 84 N 1.49 2.98 1.04 3.97 2.02 -0.47 -1.17 117.35 127.22 3gqb s TYR 84 Ca 0.09 -0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.55 3gqb s TYR 84 Cb -0.18 -1.47 0.24 0.00 -0.40 0.00 0.00 41.96 40.15 3gqb s TYR 84 CO -0.20 0.51 1.31 0.16 -1.57 0.00 0.00 175.55 175.75 3gqb s ASP 85 N -2.77 2.40 0.00 2.29 1.47 -0.40 -0.25 116.67 119.41 3gqb s ASP 85 Ca 0.28 0.23 0.07 0.00 1.18 0.00 0.00 52.55 54.32 3gqb s ASP 85 Cb -0.10 -0.23 0.37 0.00 -0.34 0.00 0.00 42.92 42.62 3gqb s ASP 85 CO 0.20 -3.18 1.11 0.61 0.68 0.00 0.00 175.17 174.59 3gqb n GLY 86 N -3.29 -0.55 1.89 2.12 0.00 -1.26 -1.45 105.19 102.66 3gqb n GLY 86 Ca 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 3gqb n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gqb n ILE 87 N -1.30 2.20 -3.70 -0.61 -5.35 -1.26 -2.35 119.36 106.99 3gqb n ILE 87 Ca 0.03 -3.76 -0.23 0.00 -0.27 0.00 0.00 62.75 58.52 3gqb n ILE 87 Cb 0.06 -0.56 0.03 0.00 -1.74 0.00 0.00 39.64 37.43 3gqb n ILE 87 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3gqb n GLN 88 N -0.72 -3.76 -5.09 6.28 7.27 -0.53 -5.01 117.38 115.82 3gqb n GLN 88 Ca 0.33 0.57 -0.32 0.00 0.07 0.00 0.00 57.00 57.66 3gqb n GLN 88 Cb 0.91 -4.93 -0.15 0.00 2.41 0.00 0.00 30.24 28.48 3gqb n GLN 88 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3gqb s ARG 89 N -5.95 2.53 -0.35 3.69 0.52 -1.26 -4.19 118.95 113.95 3gqb s ARG 89 Ca 0.12 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 3gqb s ARG 89 Cb -0.04 -2.26 0.01 0.00 0.52 0.00 0.00 34.95 33.18 3gqb s ARG 89 CO 0.83 0.48 1.31 -1.25 0.02 0.00 0.00 175.30 176.70 3gqb s PRO 90 N -0.40 3.81 0.43 3.54 0.04 -1.26 -1.28 135.00 139.87 3gqb s PRO 90 Ca 0.04 1.10 0.19 0.00 0.04 0.00 0.00 61.00 62.37 3gqb s PRO 90 Cb -0.12 -3.92 0.97 0.00 0.04 0.00 0.00 34.50 31.47 3gqb s PRO 90 CO 0.02 -1.26 1.89 -0.07 0.04 0.00 0.00 177.00 177.62 3gqb h LEU 91 N 11.26 0.00 0.33 -3.56 3.38 -1.49 -2.47 115.31 122.76 3gqb h LEU 91 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3gqb h LEU 91 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gqb h LEU 91 CO 1.06 0.28 -0.16 -0.33 0.09 0.00 0.00 178.44 179.37 3gqb h GLU 92 N 0.00 -0.43 -0.21 1.13 4.39 -1.91 -1.31 114.58 116.24 3gqb h GLU 92 Ca -0.00 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3gqb h GLU 92 Cb 0.60 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3gqb h GLU 92 CO 0.04 -0.24 0.03 0.00 -1.16 0.00 0.00 179.01 177.67 3gqb h ARG 93 N -0.52 0.30 -0.13 2.33 2.47 -1.89 -1.63 114.38 115.31 3gqb h ARG 93 Ca -0.05 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3gqb h ARG 93 Cb 0.39 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3gqb h ARG 93 CO 0.08 0.31 -0.01 0.82 0.56 0.00 0.00 179.97 181.73 3gqb h ILE 94 N 0.30 1.26 0.04 2.04 2.04 -1.30 0.09 117.51 121.98 3gqb h ILE 94 Ca 0.07 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.09 3gqb h ILE 94 Cb 0.16 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3gqb h ILE 94 CO 0.00 0.25 -0.25 -0.09 0.00 0.00 0.00 178.15 178.06 3gqb h ARG 95 N -0.04 -0.39 -0.96 2.37 2.43 -0.61 0.35 114.38 117.53 3gqb h ARG 95 Ca 0.04 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.36 3gqb h ARG 95 Cb 0.39 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.95 3gqb h ARG 95 CO 0.01 -0.26 0.61 0.93 -1.51 0.00 0.00 179.97 179.75 3gqb h GLU 96 N -0.41 0.87 0.00 0.20 5.08 -1.25 1.32 114.58 120.40 3gqb h GLU 96 Ca 0.05 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3gqb h GLU 96 Cb 0.47 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3gqb h GLU 96 CO -0.20 0.58 -0.86 0.87 -1.00 0.00 0.00 179.01 178.40 3gqb h LYS 97 N 0.90 0.11 0.00 2.33 1.57 0.78 -3.40 116.57 118.85 3gqb h LYS 97 Ca 0.47 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3gqb h LYS 97 Cb 0.55 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3gqb h LYS 97 CO -0.24 0.90 -0.34 0.25 -0.57 0.00 0.00 179.45 179.45 3gqb n THR 98 N -3.62 0.00 0.00 -0.16 -2.24 0.11 -5.08 114.28 103.29 3gqb n THR 98 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3gqb n THR 98 Cb 0.80 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3gqb n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqb n GLY 99 N 0.98 0.60 0.12 3.38 0.00 0.45 -4.59 105.19 106.13 3gqb n GLY 99 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 3gqb n GLY 99 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gqb h ILE 100 N 0.00 1.49 -2.66 -0.61 3.07 -1.95 -3.40 117.51 113.44 3gqb h ILE 100 Ca 0.00 -2.73 -0.51 0.00 1.55 0.00 0.00 64.86 63.17 3gqb h ILE 100 Cb 0.00 2.59 -0.01 0.00 -0.27 0.00 0.00 36.82 39.13 3gqb h ILE 100 CO 0.00 0.80 -0.35 -0.31 -1.05 0.00 0.00 178.15 177.24 3gqb s TYR 101 N -3.06 3.48 -0.44 0.16 1.51 -1.26 -5.07 117.35 112.67 3gqb s TYR 101 Ca -0.04 0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.07 3gqb s TYR 101 Cb 0.09 -1.78 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 3gqb s TYR 101 CO 0.85 0.37 0.57 0.42 -1.11 0.00 0.00 175.55 176.65 3gqb s ILE 102 N -1.95 4.92 0.26 2.71 1.01 -1.26 -4.89 121.20 121.99 3gqb s ILE 102 Ca 0.37 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 3gqb s ILE 102 Cb -0.10 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 3gqb s ILE 102 CO 0.30 -0.56 0.96 -0.89 0.00 0.00 0.00 174.94 174.75 3gqb s THR 103 N 2.57 4.03 0.64 2.92 2.01 -1.26 -5.05 115.64 121.50 3gqb s THR 103 Ca 0.18 2.00 -0.14 0.00 0.31 0.00 0.00 61.69 64.04 3gqb s THR 103 Cb -0.16 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3gqb s THR 103 CO 0.17 0.44 1.07 0.00 -0.69 0.00 0.00 174.62 175.60 3gqb s ARG 104 N -1.33 3.09 -0.81 4.92 1.70 -1.26 -3.99 118.95 121.27 3gqb s ARG 104 Ca 0.43 1.17 0.00 0.00 -0.47 0.00 0.00 55.73 56.85 3gqb s ARG 104 Cb -0.26 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 3gqb s ARG 104 CO 0.32 -0.99 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 3gqb n GLY 105 N -1.18 0.96 3.71 3.88 0.00 -1.26 -4.98 105.19 106.32 3gqb n GLY 105 Ca 0.09 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3gqb n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqb s VAL 106 N -2.23 4.19 -0.60 1.61 1.01 -1.26 -4.94 120.40 118.18 3gqb s VAL 106 Ca 0.00 1.59 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 3gqb s VAL 106 Cb 0.00 -4.02 0.15 0.00 0.00 0.00 0.00 36.38 32.52 3gqb s VAL 106 CO 0.00 0.13 0.40 0.54 0.00 0.00 0.00 175.10 176.17 3gqb s VAL 107 N 0.99 3.34 0.52 2.92 0.11 -1.26 -5.07 120.40 121.95 3gqb s VAL 107 Ca 0.57 -3.16 0.07 0.00 -2.93 0.00 0.00 61.98 56.53 3gqb s VAL 107 Cb -0.28 -3.21 0.04 0.00 -1.53 0.00 0.00 36.38 31.40 3gqb s VAL 107 CO 0.29 -0.86 0.49 0.68 -3.33 0.00 0.00 175.10 172.36 3gqb s VAL 108 N -0.24 1.99 -0.03 2.04 -7.23 -1.26 -5.15 120.40 110.52 3gqb s VAL 108 Ca 0.18 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 3gqb s VAL 108 Cb -0.21 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 3gqb s VAL 108 CO -0.03 0.00 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.56 3gqb s HIS 109 N -2.68 2.50 0.25 2.82 3.76 -1.26 -4.95 115.29 115.72 3gqb s HIS 109 Ca 0.44 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.98 3gqb s HIS 109 Cb -0.03 -1.56 0.37 0.00 1.11 0.00 0.00 32.58 32.47 3gqb s HIS 109 CO 0.27 0.06 1.84 0.00 -0.85 0.00 0.00 174.74 176.05 3gqb h ALA 110 N 5.43 1.21 -3.13 -1.40 0.00 -1.97 -3.38 119.26 116.02 3gqb h ALA 110 Ca -0.44 0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.82 3gqb h ALA 110 Cb 1.14 -0.20 -0.25 0.00 0.00 0.00 0.00 17.79 18.47 3gqb h ALA 110 CO 0.48 0.22 -0.71 -0.51 0.00 0.00 0.00 179.25 178.74 3gqb s LEU 111 N -10.23 3.00 0.02 0.00 1.02 -1.26 -4.78 118.68 106.46 3gqb s LEU 111 Ca -0.12 -0.29 -0.33 0.00 0.02 0.00 0.00 54.13 53.40 3gqb s LEU 111 Cb 0.19 -1.74 -0.11 0.00 0.02 0.00 0.00 46.19 44.54 3gqb s LEU 111 CO 0.79 0.06 1.83 -0.67 0.02 0.00 0.00 176.35 178.39 3gqb n ASP 112 N 4.24 3.63 -0.06 2.29 2.03 -1.26 -4.90 116.55 122.52 3gqb n ASP 112 Ca -0.18 0.98 0.13 0.00 0.52 0.00 0.00 54.79 56.25 3gqb n ASP 112 Cb 0.52 -1.44 0.46 0.00 -0.72 0.00 0.00 41.12 39.93 3gqb n ASP 112 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gqb n ARG 113 N 6.01 0.28 -0.07 -0.67 5.12 -1.26 -4.21 116.66 121.86 3gqb n ARG 113 Ca 0.20 -0.12 -0.20 0.00 -1.93 0.00 0.00 57.85 55.80 3gqb n ARG 113 Cb 0.33 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.00 3gqb n ARG 113 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gqb n GLU 114 N -1.26 0.69 -1.66 5.56 -0.58 -1.26 -4.70 120.64 117.43 3gqb n GLU 114 Ca 0.09 0.23 -0.45 0.00 -0.42 0.00 0.00 57.16 56.60 3gqb n GLU 114 Cb 0.32 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 3gqb n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3gqb n LYS 115 N -3.48 1.98 -3.21 3.49 4.81 -1.26 -4.92 118.16 115.56 3gqb n LYS 115 Ca -0.40 0.71 -0.39 0.00 -0.87 0.00 0.00 58.31 57.36 3gqb n LYS 115 Cb 0.99 -2.38 -0.06 0.00 0.02 0.00 0.00 35.03 33.61 3gqb n LYS 115 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3gqb s LYS 116 N -0.12 4.31 0.06 1.64 -0.14 -1.26 -4.28 119.74 119.94 3gqb s LYS 116 Ca 0.71 0.75 0.08 0.00 -1.36 0.00 0.00 55.97 56.15 3gqb s LYS 116 Cb -0.68 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.11 3gqb s LYS 116 CO 0.47 0.41 -0.22 -1.58 -0.76 0.00 0.00 175.35 173.67 3gqb s TRP 117 N -0.33 2.45 -0.79 3.18 0.52 0.54 -4.85 118.94 119.67 3gqb s TRP 117 Ca 0.31 -0.32 -0.22 0.00 0.02 0.00 0.00 56.10 55.88 3gqb s TRP 117 Cb -0.18 -1.40 0.08 0.00 -1.15 0.00 0.00 33.47 30.81 3gqb s TRP 117 CO 0.18 0.23 1.10 0.00 0.02 0.00 0.00 176.95 178.48 3gqb s ALA 118 N -0.92 3.09 0.00 0.98 0.00 -1.26 -0.83 121.76 122.83 3gqb s ALA 118 Ca 0.14 -2.09 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 3gqb s ALA 118 Cb -0.10 -4.04 -0.05 0.00 0.00 0.00 0.00 23.12 18.93 3gqb s ALA 118 CO 0.05 -2.99 1.30 -0.46 0.00 0.00 0.00 175.76 173.65 3gqb s TRP 119 N 3.99 3.10 -0.29 0.00 -0.00 -0.06 -4.16 118.94 121.52 3gqb s TRP 119 Ca 0.29 1.04 0.02 0.00 -0.00 0.00 0.00 56.10 57.45 3gqb s TRP 119 Cb -0.11 -3.54 0.06 0.00 -0.00 0.00 0.00 33.47 29.88 3gqb s TRP 119 CO 0.03 -1.87 -0.05 0.99 -0.00 0.00 0.00 176.95 176.05 3gqb s THR 120 N 1.99 2.44 0.47 5.86 2.01 0.26 -2.67 115.64 126.01 3gqb s THR 120 Ca 0.60 -1.68 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 3gqb s THR 120 Cb -0.29 -2.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 3gqb s THR 120 CO 0.26 -0.15 1.12 -2.16 -0.69 0.00 0.00 174.62 173.00 3gqb s PRO 121 N 1.12 3.73 -0.05 4.92 0.04 -1.26 -0.43 135.00 143.07 3gqb s PRO 121 Ca -0.05 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.69 3gqb s PRO 121 Cb -0.20 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.16 3gqb s PRO 121 CO -0.04 -0.54 1.05 -1.33 0.04 0.00 0.00 177.00 176.18 3gqb n MET 122 N -0.68 0.47 -3.90 4.56 2.81 0.47 -4.89 117.12 115.95 3gqb n MET 122 Ca 0.08 -1.56 -0.11 0.00 -1.81 0.00 0.00 57.70 54.31 3gqb n MET 122 Cb 0.50 -0.86 -0.11 0.00 -0.71 0.00 0.00 33.22 32.04 3gqb n MET 122 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3gqb s VAL 123 N -1.02 0.06 0.35 2.03 -7.23 -1.21 -4.85 120.40 108.54 3gqb s VAL 123 Ca 0.11 -0.52 0.08 0.00 -1.81 0.00 0.00 61.98 59.84 3gqb s VAL 123 Cb 0.10 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.74 3gqb s VAL 123 CO 0.01 -0.29 0.15 -0.54 -0.31 0.00 0.00 175.10 174.13 3gqb s LYS 124 N -0.90 2.35 0.93 4.82 3.01 -1.26 -4.94 119.74 123.76 3gqb s LYS 124 Ca -0.10 -1.59 -0.11 0.00 -1.01 0.00 0.00 55.97 53.16 3gqb s LYS 124 Cb -0.06 -2.16 0.11 0.00 -1.01 0.00 0.00 37.83 34.71 3gqb s LYS 124 CO 0.00 0.07 0.88 -2.30 0.51 0.00 0.00 175.35 174.51 3gqb n PRO 125 N -1.17 -0.39 0.00 -1.68 -0.02 -1.26 -2.14 135.00 128.33 3gqb n PRO 125 Ca -0.03 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3gqb n PRO 125 Cb 0.62 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3gqb n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gqb n GLY 126 N 0.73 2.20 3.78 -1.23 0.00 0.13 -4.93 105.19 105.86 3gqb n GLY 126 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3gqb n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqb s ASP 127 N -1.37 6.46 -0.11 1.61 1.11 -0.91 -4.67 116.67 118.80 3gqb s ASP 127 Ca 0.00 2.94 -0.14 0.00 0.18 0.00 0.00 52.55 55.54 3gqb s ASP 127 Cb 0.00 -2.66 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 3gqb s ASP 127 CO 0.00 -0.78 0.32 -1.61 1.18 0.00 0.00 175.17 174.28 3gqb s GLU 128 N -2.01 4.06 -0.01 8.23 0.41 -1.26 -0.84 118.70 127.27 3gqb s GLU 128 Ca 0.52 0.18 0.05 0.00 -0.41 0.00 0.00 54.97 55.31 3gqb s GLU 128 Cb -0.44 -3.34 -0.01 0.00 -1.78 0.00 0.00 34.13 28.56 3gqb s GLU 128 CO 0.60 0.43 -0.17 0.14 -0.49 0.00 0.00 175.26 175.77 3gqb s VAL 129 N -0.15 1.35 0.36 2.63 -7.23 -0.55 -4.99 120.40 111.82 3gqb s VAL 129 Ca 0.19 -0.73 0.09 0.00 -1.81 0.00 0.00 61.98 59.72 3gqb s VAL 129 Cb -0.14 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.62 3gqb s VAL 129 CO 0.07 0.38 0.01 -0.13 -0.31 0.00 0.00 175.10 175.13 3gqb s ARG 130 N -0.40 2.03 0.42 4.82 1.81 -1.26 -2.04 118.95 124.33 3gqb s ARG 130 Ca 0.07 -1.85 -0.26 0.00 -1.72 0.00 0.00 55.73 51.96 3gqb s ARG 130 Cb -0.07 -1.85 -0.09 0.00 -0.45 0.00 0.00 34.95 32.49 3gqb s ARG 130 CO -0.01 0.07 1.42 0.20 -0.68 0.00 0.00 175.30 176.31 3gqb s GLY 131 N -3.72 2.93 0.00 -3.53 0.00 -0.90 -2.78 107.32 99.32 3gqb s GLY 131 Ca 0.35 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.52 3gqb s GLY 131 CO 0.19 2.08 0.00 0.61 0.00 0.00 0.00 173.10 175.98 3gqb n GLY 132 N 0.57 2.34 3.79 0.20 0.00 -0.18 -4.58 105.19 107.34 3gqb n GLY 132 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3gqb n GLY 132 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gqb s MET 133 N -0.50 2.10 -0.17 1.61 -1.94 -1.12 -3.68 119.30 115.60 3gqb s MET 133 Ca 0.00 0.77 -0.22 0.00 -1.71 0.00 0.00 55.69 54.53 3gqb s MET 133 Cb 0.00 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.91 3gqb s MET 133 CO 0.00 -1.64 0.67 0.08 -0.01 0.00 0.00 175.02 174.12 3gqb s VAL 134 N -3.08 5.00 -0.03 -6.03 1.01 -1.26 -1.88 120.40 114.13 3gqb s VAL 134 Ca 0.61 1.30 0.12 0.00 0.00 0.00 0.00 61.98 64.01 3gqb s VAL 134 Cb -0.15 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 3gqb s VAL 134 CO 0.55 0.12 0.80 -0.07 0.00 0.00 0.00 175.10 176.50 3gqb h LEU 135 N 7.99 0.00 0.00 3.92 3.38 -0.46 -3.45 115.31 126.69 3gqb h LEU 135 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3gqb h LEU 135 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3gqb h LEU 135 CO 0.78 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.85 3gqb n GLY 136 N 1.49 -1.26 3.11 0.83 0.00 -1.25 -0.40 105.19 107.71 3gqb n GLY 136 Ca -0.13 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 3gqb n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gqb s THR 137 N -3.00 0.12 -0.10 2.61 -1.32 0.43 -1.02 115.64 113.36 3gqb s THR 137 Ca 0.00 -1.01 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 3gqb s THR 137 Cb 0.00 -0.79 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 3gqb s THR 137 CO 0.00 -0.56 0.26 -0.69 -2.21 0.00 0.00 174.62 171.42 3gqb s VAL 138 N -2.35 -0.02 0.15 5.08 1.01 -0.79 -0.58 120.40 122.91 3gqb s VAL 138 Ca -0.07 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3gqb s VAL 138 Cb -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 36.38 35.90 3gqb s VAL 138 CO -0.03 0.03 1.29 -2.16 0.00 0.00 0.00 175.10 174.22 3gqb s PRO 139 N 0.70 4.40 -0.29 2.72 0.04 -1.26 -1.63 135.00 139.68 3gqb s PRO 139 Ca -0.05 1.97 0.01 0.00 0.04 0.00 0.00 61.00 62.97 3gqb s PRO 139 Cb -0.06 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.33 3gqb s PRO 139 CO -0.04 -0.26 0.04 -2.00 0.04 0.00 0.00 177.00 174.78 3gqb s GLU 140 N 0.34 1.17 5.48 4.56 2.12 0.14 -4.82 118.70 127.68 3gqb s GLU 140 Ca 0.58 -1.24 0.00 0.00 0.36 0.00 0.00 54.97 54.67 3gqb s GLU 140 Cb -0.35 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.54 3gqb s GLU 140 CO 0.34 -0.85 0.00 1.19 -0.54 0.00 0.00 175.26 175.40 3gqb n PHE 141 N 4.64 0.00 0.10 5.30 3.01 -1.26 -0.38 117.46 128.88 3gqb n PHE 141 Ca -0.03 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.42 3gqb n PHE 141 Cb 0.43 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 3gqb n PHE 141 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gqb h GLY 142 N 0.00 0.00 -4.06 1.37 0.00 -1.97 -3.47 103.07 94.94 3gqb h GLY 142 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3gqb h GLY 142 CO 0.00 0.00 0.07 -1.36 0.00 0.00 0.00 176.54 175.25 3gqb s PHE 143 N -2.89 3.74 -0.96 5.60 2.99 0.49 -4.99 117.98 121.97 3gqb s PHE 143 Ca 0.02 1.38 -0.20 0.00 0.00 0.00 0.00 56.93 58.14 3gqb s PHE 143 Cb 0.08 -2.60 0.11 0.00 0.00 0.00 0.00 43.02 40.62 3gqb s PHE 143 CO 0.77 0.45 1.21 0.99 -0.00 0.00 0.00 175.22 178.65 3gqb s THR 144 N -1.33 4.55 -0.09 0.64 2.01 -1.26 -0.69 115.64 119.48 3gqb s THR 144 Ca 0.37 -1.43 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 3gqb s THR 144 Cb -0.19 -4.85 -0.05 0.00 0.01 0.00 0.00 72.50 67.43 3gqb s THR 144 CO 0.21 -1.61 1.66 -2.28 -0.69 0.00 0.00 174.62 171.91 3gqb s HIS 145 N 3.18 1.98 0.01 4.92 2.46 -0.64 -4.89 115.29 122.31 3gqb s HIS 145 Ca 0.36 0.27 -0.21 0.00 0.47 0.00 0.00 55.06 55.96 3gqb s HIS 145 Cb -0.04 -3.92 -0.06 0.00 -0.13 0.00 0.00 32.58 28.43 3gqb s HIS 145 CO -0.09 -3.68 0.61 0.15 -2.47 0.00 0.00 174.74 169.26 3gqb s LYS 146 N 4.21 4.32 -0.28 2.88 1.02 -1.26 -1.88 119.74 128.75 3gqb s LYS 146 Ca 0.74 0.77 -0.22 0.00 0.02 0.00 0.00 55.97 57.28 3gqb s LYS 146 Cb -0.32 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3gqb s LYS 146 CO 0.29 0.40 0.69 0.42 -0.92 0.00 0.00 175.35 176.23 3gqb s ILE 147 N -0.31 4.91 -0.02 2.17 -1.09 -0.19 -4.99 121.20 121.69 3gqb s ILE 147 Ca 0.31 1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 59.86 3gqb s ILE 147 Cb -0.19 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 3gqb s ILE 147 CO 0.18 -0.08 0.11 -0.76 -1.23 0.00 0.00 174.94 173.15 3gqb s LEU 148 N 2.67 4.03 0.14 2.97 1.43 -1.26 0.34 118.68 129.01 3gqb s LEU 148 Ca 0.28 0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 53.29 3gqb s LEU 148 Cb -0.15 -2.33 -0.10 0.00 0.03 0.00 0.00 46.19 43.64 3gqb s LEU 148 CO 0.10 0.28 1.70 -0.69 0.23 0.00 0.00 176.35 177.97 3gqb s VAL 149 N -1.20 2.54 0.47 -1.59 1.01 -0.79 -4.89 120.40 115.94 3gqb s VAL 149 Ca 0.23 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 3gqb s VAL 149 Cb -0.12 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3gqb s VAL 149 CO 0.14 0.01 0.94 -2.65 0.00 0.00 0.00 175.10 173.54 3gqb n PRO 150 N 4.78 1.15 -0.85 2.72 -0.02 -1.26 -1.01 135.00 140.52 3gqb n PRO 150 Ca 0.16 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3gqb n PRO 150 Cb 0.38 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 31.99 3gqb n PRO 150 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gqb s PRO 151 N -2.15 1.29 0.00 0.52 0.02 -1.26 -2.16 135.00 131.25 3gqb s PRO 151 Ca 0.66 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3gqb s PRO 151 Cb -0.52 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.24 3gqb s PRO 151 CO 0.55 -2.43 0.00 -0.25 -0.33 0.00 0.00 177.00 174.53 3gqb n ASP 152 N -3.95 0.00 -4.88 2.53 8.00 -1.26 -4.94 116.55 112.05 3gqb n ASP 152 Ca 0.12 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 3gqb n ASP 152 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 3gqb n ASP 152 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gqb s VAL 153 N -0.83 4.91 -0.03 2.53 1.01 -0.92 -4.96 120.40 122.11 3gqb s VAL 153 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3gqb s VAL 153 Cb 0.00 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.84 3gqb s VAL 153 CO 0.00 -0.16 0.97 0.00 0.00 0.00 0.00 175.10 175.91 3gqb s ARG 154 N -3.03 0.73 0.00 2.72 1.70 -1.26 -2.13 118.95 117.68 3gqb s ARG 154 Ca 0.48 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.45 3gqb s ARG 154 Cb -0.11 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 3gqb s ARG 154 CO 0.23 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 3gqb n GLY 155 N -0.23 -0.28 3.86 3.88 0.00 -0.87 -5.01 105.19 106.55 3gqb n GLY 155 Ca -0.07 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3gqb n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqb s ARG 156 N -2.00 3.34 -0.06 1.61 0.52 -1.26 -1.48 118.95 119.62 3gqb s ARG 156 Ca 0.00 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 3gqb s ARG 156 Cb 0.00 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 3gqb s ARG 156 CO 0.00 0.69 1.28 0.08 0.02 0.00 0.00 175.30 177.37 3gqb s VAL 157 N -1.23 4.09 -0.13 3.52 1.01 -0.02 -1.43 120.40 126.22 3gqb s VAL 157 Ca 0.24 1.42 -0.10 0.00 0.00 0.00 0.00 61.98 63.54 3gqb s VAL 157 Cb -0.12 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3gqb s VAL 157 CO 0.14 -0.03 -0.20 1.17 0.00 0.00 0.00 175.10 176.19 3gqb n LYS 158 N 5.53 0.42 -4.35 2.72 4.81 -0.18 0.17 118.16 127.27 3gqb n LYS 158 Ca 0.12 0.42 -0.18 0.00 -0.87 0.00 0.00 58.31 57.81 3gqb n LYS 158 Cb 0.45 -1.53 -0.10 0.00 0.02 0.00 0.00 35.03 33.87 3gqb n LYS 158 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3gqb s GLU 159 N -2.25 1.36 -0.06 1.64 -1.05 -0.97 -4.58 118.70 112.79 3gqb s GLU 159 Ca -0.16 -1.67 -0.04 0.00 -0.15 0.00 0.00 54.97 52.95 3gqb s GLU 159 Cb 0.02 -0.83 0.02 0.00 -0.44 0.00 0.00 34.13 32.90 3gqb s GLU 159 CO 0.24 -0.00 0.14 0.08 0.95 0.00 0.00 175.26 176.67 3gqb s VAL 160 N -3.24 -0.01 0.12 1.83 1.01 -1.26 -1.31 120.40 117.54 3gqb s VAL 160 Ca 0.26 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 3gqb s VAL 160 Cb 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 3gqb s VAL 160 CO 0.08 0.02 1.21 -0.54 0.00 0.00 0.00 175.10 175.86 3gqb s LYS 161 N 0.32 4.46 0.52 2.72 -0.14 0.16 -4.99 119.74 122.78 3gqb s LYS 161 Ca -0.02 1.83 -0.21 0.00 -1.36 0.00 0.00 55.97 56.21 3gqb s LYS 161 Cb -0.03 -3.29 -0.06 0.00 -1.68 0.00 0.00 37.83 32.77 3gqb s LYS 161 CO -0.01 -0.18 1.21 -1.25 -0.76 0.00 0.00 175.35 174.36 3gqb s PRO 162 N 0.43 3.40 0.07 -1.68 0.04 -1.26 -4.67 135.00 131.32 3gqb s PRO 162 Ca 0.56 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 3gqb s PRO 162 Cb -0.31 -2.22 -0.15 0.00 0.04 0.00 0.00 34.50 31.86 3gqb s PRO 162 CO 0.33 -0.88 0.67 0.00 0.04 0.00 0.00 177.00 177.16 3gqb n ALA 163 N -0.95 -2.80 0.00 8.56 0.00 -1.26 -4.86 120.51 119.20 3gqb n ALA 163 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3gqb n ALA 163 Cb 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3gqb n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqb n GLY 164 N 1.36 -1.71 3.50 0.00 0.00 -1.09 -5.01 105.19 102.24 3gqb n GLY 164 Ca 0.15 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 3gqb n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqb s GLU 165 N -1.67 3.44 0.23 1.61 2.02 -1.26 -0.88 118.70 122.19 3gqb s GLU 165 Ca 0.00 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.38 3gqb s GLU 165 Cb 0.00 -3.74 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 3gqb s GLU 165 CO 0.00 -0.44 -0.06 0.71 0.02 0.00 0.00 175.26 175.49 3gqb s TYR 166 N 1.69 1.67 0.53 1.61 2.02 -0.01 -4.82 117.35 120.04 3gqb s TYR 166 Ca 0.06 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 3gqb s TYR 166 Cb -0.17 -0.92 0.03 0.00 -0.40 0.00 0.00 41.96 40.50 3gqb s TYR 166 CO 0.09 0.16 0.74 0.95 -1.57 0.00 0.00 175.55 175.92 3gqb s THR 167 N -3.19 2.90 -0.17 -0.71 -4.23 -1.26 0.20 115.64 109.18 3gqb s THR 167 Ca 0.26 -0.66 0.28 0.00 -1.18 0.00 0.00 61.69 60.38 3gqb s THR 167 Cb 0.03 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 71.09 3gqb s THR 167 CO 0.08 -0.05 1.83 -0.37 -0.54 0.00 0.00 174.62 175.57 3gqb h VAL 168 N 0.16 0.00 0.00 2.29 -1.51 -1.82 -2.90 116.25 112.48 3gqb h VAL 168 Ca -0.43 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 3gqb h VAL 168 Cb 1.29 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3gqb h VAL 168 CO 0.52 0.00 0.00 -0.08 -1.23 0.00 0.00 177.57 176.78 3gqb h GLU 169 N 0.00 0.00 -6.59 5.19 4.57 -1.92 -3.18 114.58 112.65 3gqb h GLU 169 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3gqb h GLU 169 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3gqb h GLU 169 CO 0.00 0.00 0.45 -1.21 -1.18 0.00 0.00 179.01 177.07 3gqb s GLU 170 N -3.22 4.60 -0.89 1.92 2.02 -1.10 -4.94 118.70 117.10 3gqb s GLU 170 Ca 0.07 1.63 -0.25 0.00 0.02 0.00 0.00 54.97 56.44 3gqb s GLU 170 Cb 0.05 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 3gqb s GLU 170 CO 0.66 0.06 2.00 -2.14 0.02 0.00 0.00 175.26 175.86 3gqb s PRO 171 N 0.04 2.44 0.32 0.39 0.02 -1.26 -4.24 135.00 132.70 3gqb s PRO 171 Ca 0.50 -0.21 0.14 0.00 0.02 0.00 0.00 61.00 61.45 3gqb s PRO 171 Cb -0.27 -5.03 0.49 0.00 0.02 0.00 0.00 34.50 29.71 3gqb s PRO 171 CO 0.32 -3.52 1.66 -0.39 -0.33 0.00 0.00 177.00 174.75 3gqb h VAL 172 N 7.30 1.20 -3.70 3.83 -1.51 -1.70 -3.43 116.25 118.23 3gqb h VAL 172 Ca 0.09 -1.86 -0.31 0.00 -1.23 0.00 0.00 66.70 63.38 3gqb h VAL 172 Cb 1.00 2.05 -0.31 0.00 -2.13 0.00 0.00 31.29 31.91 3gqb h VAL 172 CO 1.19 0.50 -0.74 -0.69 -1.23 0.00 0.00 177.57 176.59 3gqb s VAL 173 N -3.61 0.24 -0.03 7.19 1.01 -0.99 0.39 120.40 124.60 3gqb s VAL 173 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3gqb s VAL 173 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 3gqb s VAL 173 CO 0.73 0.10 -0.16 -0.69 0.00 0.00 0.00 175.10 175.08 3gqb s VAL 174 N 0.37 1.32 0.43 2.92 1.01 -0.43 0.02 120.40 126.04 3gqb s VAL 174 Ca -0.04 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3gqb s VAL 174 Cb -0.06 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 3gqb s VAL 174 CO -0.01 0.38 0.63 -0.76 0.00 0.00 0.00 175.10 175.35 3gqb s LEU 175 N -0.10 3.70 0.29 3.92 1.43 0.16 -1.01 118.68 127.07 3gqb s LEU 175 Ca -0.00 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3gqb s LEU 175 Cb -0.09 -3.07 0.43 0.00 0.03 0.00 0.00 46.19 43.48 3gqb s LEU 175 CO 0.01 -0.66 1.92 -0.33 0.23 0.00 0.00 176.35 177.52 3gqb h GLU 176 N 0.49 1.01 -0.74 1.70 5.08 -1.55 0.11 114.58 120.68 3gqb h GLU 176 Ca -0.46 -0.10 0.21 0.00 -1.00 0.00 0.00 59.36 58.01 3gqb h GLU 176 Cb 1.25 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 3gqb h GLU 176 CO 0.56 0.73 0.93 0.22 -1.00 0.00 0.00 179.01 180.45 3gqb h ASP 177 N 1.02 0.00 0.00 1.42 3.58 -1.95 -3.45 116.42 117.04 3gqb h ASP 177 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3gqb h ASP 177 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3gqb h ASP 177 CO -0.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 3gqb n GLY 178 N -1.61 2.02 3.68 -0.78 0.00 0.40 -5.05 105.19 103.84 3gqb n GLY 178 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3gqb n GLY 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gqb n THR 179 N -2.00 0.01 -3.94 2.61 -1.04 -1.26 -4.64 114.28 104.02 3gqb n THR 179 Ca 0.00 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3gqb n THR 179 Cb 0.00 -1.61 -0.09 0.00 -1.82 0.00 0.00 70.33 66.81 3gqb n THR 179 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gqb s GLU 180 N 0.98 3.89 -0.13 -2.82 2.02 -1.26 -0.67 118.70 120.71 3gqb s GLU 180 Ca 0.78 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.50 3gqb s GLU 180 Cb -0.65 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 3gqb s GLU 180 CO 0.37 0.39 -0.15 -0.51 0.02 0.00 0.00 175.26 175.37 3gqb s LEU 181 N 0.07 2.57 0.00 1.80 1.43 0.10 -5.01 118.68 119.64 3gqb s LEU 181 Ca 0.07 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3gqb s LEU 181 Cb -0.12 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3gqb s LEU 181 CO 0.00 0.15 0.12 0.29 0.23 0.00 0.00 176.35 177.13 3gqb n LYS 182 N 3.64 1.14 0.17 1.70 5.02 -1.26 -1.87 118.16 126.70 3gqb n LYS 182 Ca -0.18 -0.64 0.13 0.00 -2.02 0.00 0.00 58.31 55.59 3gqb n LYS 182 Cb 0.53 0.02 0.44 0.00 -0.02 0.00 0.00 35.03 36.00 3gqb n LYS 182 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3gqb h MET 183 N 0.00 0.00 -5.08 1.97 2.86 -1.72 -3.45 114.93 109.50 3gqb h MET 183 Ca -0.06 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.20 3gqb h MET 183 Cb 0.25 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.76 3gqb h MET 183 CO 0.09 0.00 -0.66 1.52 1.06 0.00 0.00 176.91 178.92 3gqb s TYR 184 N -3.30 1.54 0.05 -0.22 1.13 -1.26 -4.26 117.35 111.04 3gqb s TYR 184 Ca 0.06 -0.91 -0.01 0.00 -1.41 0.00 0.00 57.07 54.80 3gqb s TYR 184 Cb 0.09 -0.89 -0.04 0.00 -1.10 0.00 0.00 41.96 40.03 3gqb s TYR 184 CO 0.54 -0.03 -0.03 -3.38 -2.51 0.00 0.00 175.55 170.13 3gqb s HIS 185 N -3.42 0.55 0.41 -3.49 -3.43 -0.71 -4.96 115.29 100.24 3gqb s HIS 185 Ca 0.28 -1.01 -0.01 0.00 -0.80 0.00 0.00 55.06 53.52 3gqb s HIS 185 Cb 0.05 -0.39 -0.02 0.00 -1.43 0.00 0.00 32.58 30.79 3gqb s HIS 185 CO 0.08 -0.34 0.64 0.95 -2.00 0.00 0.00 174.74 174.07 3gqb s THR 186 N -3.70 4.69 -0.20 -5.38 -4.23 -1.26 -0.26 115.64 105.29 3gqb s THR 186 Ca 0.06 -0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.07 3gqb s THR 186 Cb 0.06 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.23 3gqb s THR 186 CO -0.09 -0.54 0.52 0.86 -0.54 0.00 0.00 174.62 174.83 3gqb s TRP 187 N -2.49 -0.66 0.20 3.99 -0.11 -0.61 -4.93 118.94 114.34 3gqb s TRP 187 Ca 0.44 1.49 -0.30 0.00 1.22 0.00 0.00 56.10 58.95 3gqb s TRP 187 Cb -0.10 0.29 -0.09 0.00 -1.50 0.00 0.00 33.47 32.07 3gqb s TRP 187 CO 0.38 -0.34 1.34 -1.25 -4.62 0.00 0.00 176.95 172.47 3gqb s PRO 188 N 0.83 4.36 0.36 5.86 0.04 -1.26 -0.92 135.00 144.27 3gqb s PRO 188 Ca -0.04 2.10 0.23 0.00 0.04 0.00 0.00 61.00 63.33 3gqb s PRO 188 Cb -0.05 -3.18 0.30 0.00 0.04 0.00 0.00 34.50 31.61 3gqb s PRO 188 CO -0.07 -0.29 1.48 -0.39 0.04 0.00 0.00 177.00 177.77 3gqb h VAL 189 N 3.72 0.00 -0.00 -0.36 -1.51 -1.66 -3.19 116.25 113.25 3gqb h VAL 189 Ca -0.45 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 3gqb h VAL 189 Cb 1.21 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 3gqb h VAL 189 CO 0.78 0.00 -0.13 0.54 -1.23 0.00 0.00 177.57 177.53 3gqb n ARG 190 N -2.90 0.71 -3.66 5.19 1.74 -1.26 -4.70 116.66 111.78 3gqb n ARG 190 Ca 0.03 -0.27 -0.39 0.00 -0.77 0.00 0.00 57.85 56.45 3gqb n ARG 190 Cb 0.52 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.35 3gqb n ARG 190 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gqb s ARG 191 N -2.47 3.10 -0.25 5.56 3.52 -1.21 -5.06 118.95 122.14 3gqb s ARG 191 Ca 0.28 -0.87 -0.42 0.00 -0.13 0.00 0.00 55.73 54.59 3gqb s ARG 191 Cb 0.20 -3.57 -0.18 0.00 -1.56 0.00 0.00 34.95 29.84 3gqb s ARG 191 CO 0.48 -0.52 1.54 0.00 -0.81 0.00 0.00 175.30 175.99 3gqb n ALA 192 N 4.95 -1.16 -1.81 6.12 0.00 -1.26 -4.86 120.51 122.49 3gqb n ALA 192 Ca -0.13 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3gqb n ALA 192 Cb 0.48 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 3gqb n ALA 192 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqb s ARG 193 N 2.37 4.16 0.72 0.00 0.52 -1.26 -4.95 118.95 120.52 3gqb s ARG 193 Ca 0.97 2.49 -0.15 0.00 -0.52 0.00 0.00 55.73 58.52 3gqb s ARG 193 Cb -1.21 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 30.99 3gqb s ARG 193 CO 0.66 -0.73 1.22 -2.14 0.02 0.00 0.00 175.30 174.33 3gqb s PRO 194 N 1.76 2.21 0.31 3.54 0.02 -1.26 -5.07 135.00 136.51 3gqb s PRO 194 Ca 0.75 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.60 3gqb s PRO 194 Cb -0.46 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 3gqb s PRO 194 CO 0.33 -1.79 0.10 0.14 -0.33 0.00 0.00 177.00 175.44 3gqb s VAL 195 N -1.89 0.73 -0.07 3.83 -7.23 -1.26 -4.53 120.40 109.98 3gqb s VAL 195 Ca 0.76 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 59.06 3gqb s VAL 195 Cb -0.30 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 33.95 3gqb s VAL 195 CO 0.44 0.00 1.25 -0.61 -0.31 0.00 0.00 175.10 175.87 3gqb h GLN 196 N 2.19 0.00 0.00 4.82 4.15 -1.40 -3.45 115.11 121.42 3gqb h GLN 196 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3gqb h GLN 196 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3gqb h GLN 196 CO 0.62 0.59 0.00 -2.13 -1.93 0.00 0.00 178.83 175.98 3gqb n ARG 197 N -3.19 0.00 -3.53 1.69 0.63 -1.13 -5.00 116.66 106.12 3gqb n ARG 197 Ca -0.02 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.54 3gqb n ARG 197 Cb 0.83 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.65 3gqb n ARG 197 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3gqb s LYS 198 N -0.08 4.08 0.17 -0.14 2.47 -1.26 -1.30 119.74 123.68 3gqb s LYS 198 Ca 0.00 -0.09 0.03 0.00 -1.56 0.00 0.00 55.97 54.35 3gqb s LYS 198 Cb 0.00 -3.57 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 3gqb s LYS 198 CO 0.00 -0.05 0.28 -0.51 0.16 0.00 0.00 175.35 175.23 3gqb s LEU 199 N 1.37 4.24 0.52 5.43 1.43 0.25 -4.98 118.68 126.94 3gqb s LEU 199 Ca 0.12 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 3gqb s LEU 199 Cb -0.14 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.20 3gqb s LEU 199 CO 0.07 0.03 1.17 -1.81 0.23 0.00 0.00 176.35 176.03 3gqb s ASP 200 N -3.39 5.77 0.00 2.29 1.01 -1.26 -4.44 116.67 116.66 3gqb s ASP 200 Ca 0.34 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.89 3gqb s ASP 200 Cb -0.10 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3gqb s ASP 200 CO 0.28 -1.19 0.14 -0.81 0.21 0.00 0.00 175.17 173.80 3gqb n PRO 201 N -1.04 0.24 -0.04 8.23 -0.04 -1.26 -4.36 135.00 136.73 3gqb n PRO 201 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3gqb n PRO 201 Cb 0.49 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 3gqb n PRO 201 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3gqb n ASN 202 N 0.49 2.51 -3.92 3.54 2.04 -1.26 -4.56 115.26 114.09 3gqb n ASN 202 Ca 0.00 -1.61 -0.10 0.00 -0.44 0.00 0.00 54.58 52.43 3gqb n ASN 202 Cb 0.07 -0.44 -0.12 0.00 -2.53 0.00 0.00 39.78 36.77 3gqb n ASN 202 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3gqb s THR 203 N 0.24 0.07 0.31 5.53 2.01 -1.26 -4.76 115.64 117.78 3gqb s THR 203 Ca 0.00 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.12 3gqb s THR 203 Cb 0.00 -0.23 -0.10 0.00 0.01 0.00 0.00 72.50 72.18 3gqb s THR 203 CO 0.00 -0.33 0.97 -2.84 -0.69 0.00 0.00 174.62 171.73 3gqb s PRO 204 N -1.01 4.61 -0.36 4.92 0.02 -1.26 -0.39 135.00 141.53 3gqb s PRO 204 Ca -0.11 1.43 -0.19 0.00 0.02 0.00 0.00 61.00 62.15 3gqb s PRO 204 Cb -0.07 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.52 3gqb s PRO 204 CO -0.00 0.29 0.57 0.12 -0.33 0.00 0.00 177.00 177.65 3gqb s PHE 205 N -1.47 3.16 -0.38 6.54 2.19 0.58 -4.07 117.98 124.54 3gqb s PHE 205 Ca 0.48 0.25 -0.21 0.00 0.33 0.00 0.00 56.93 57.77 3gqb s PHE 205 Cb -0.22 -3.03 0.01 0.00 -1.31 0.00 0.00 43.02 38.47 3gqb s PHE 205 CO 0.28 -0.59 0.69 -0.51 1.83 0.00 0.00 175.22 176.92 3gqb s LEU 206 N 2.54 4.26 -0.12 6.12 1.43 -1.26 -4.51 118.68 127.14 3gqb s LEU 206 Ca 0.21 0.10 0.18 0.00 -1.03 0.00 0.00 54.13 53.59 3gqb s LEU 206 Cb -0.15 -2.85 -0.25 0.00 0.03 0.00 0.00 46.19 42.96 3gqb s LEU 206 CO 0.14 -0.69 0.29 1.07 0.23 0.00 0.00 176.35 177.39 3gqb n THR 207 N 5.74 1.10 0.00 5.49 5.66 -1.26 -1.15 114.28 129.85 3gqb n THR 207 Ca 0.00 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 3gqb n THR 207 Cb 0.48 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 3gqb n THR 207 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gqb n GLY 208 N 1.59 2.33 3.63 1.09 0.00 -1.26 -4.01 105.19 108.56 3gqb n GLY 208 Ca -0.23 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3gqb n GLY 208 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gqb s MET 209 N 0.00 4.06 0.18 1.61 -1.94 -1.26 -1.92 119.30 120.03 3gqb s MET 209 Ca 0.00 0.83 -0.24 0.00 -1.71 0.00 0.00 55.69 54.57 3gqb s MET 209 Cb 0.00 -3.70 0.07 0.00 2.01 0.00 0.00 34.83 33.21 3gqb s MET 209 CO 0.00 -0.67 1.56 0.00 -0.01 0.00 0.00 175.02 175.90 3gqb h ARG 210 N 7.94 -0.14 -0.56 2.03 3.08 -1.87 -1.16 114.38 123.69 3gqb h ARG 210 Ca -0.23 0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.94 3gqb h ARG 210 Cb 1.09 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3gqb h ARG 210 CO 0.92 -0.10 0.38 -0.84 -1.07 0.00 0.00 179.97 179.26 3gqb h ILE 211 N -0.15 0.86 0.00 2.04 -2.65 -1.84 0.45 117.51 116.22 3gqb h ILE 211 Ca 0.21 -0.10 -0.27 0.00 1.03 0.00 0.00 64.86 65.72 3gqb h ILE 211 Cb 0.55 0.53 -0.04 0.00 -2.05 0.00 0.00 36.82 35.81 3gqb h ILE 211 CO -0.78 0.06 -1.55 -0.07 0.03 0.00 0.00 178.15 175.83 3gqb h LEU 212 N 0.30 0.01 -0.01 0.16 3.38 -1.83 -1.52 115.31 115.80 3gqb h LEU 212 Ca 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3gqb h LEU 212 Cb 0.63 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3gqb h LEU 212 CO -0.06 1.02 -0.02 0.44 0.09 0.00 0.00 178.44 179.91 3gqb h ASP 213 N 0.00 0.03 0.01 -0.43 3.45 0.09 0.51 116.42 120.09 3gqb h ASP 213 Ca -0.22 -0.55 -0.16 0.00 0.43 0.00 0.00 57.03 56.52 3gqb h ASP 213 Cb 1.96 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.70 3gqb h ASP 213 CO 0.09 0.58 -0.88 0.58 -1.57 0.00 0.00 179.24 178.04 3gqb h VAL 214 N -0.51 1.20 0.00 -1.35 2.07 -0.36 -3.39 116.25 113.91 3gqb h VAL 214 Ca 0.00 -2.25 -0.15 0.00 0.82 0.00 0.00 66.70 65.13 3gqb h VAL 214 Cb 0.57 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 3gqb h VAL 214 CO 0.00 0.43 -0.89 -0.07 0.02 0.00 0.00 177.57 177.06 3gqb h LEU 215 N -0.95 0.00 -4.28 2.57 3.38 -1.49 -3.42 115.31 111.11 3gqb h LEU 215 Ca -0.24 -0.44 -0.55 0.00 0.09 0.00 0.00 57.88 56.74 3gqb h LEU 215 Cb 1.24 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.57 3gqb h LEU 215 CO -0.13 1.24 -0.80 0.49 0.09 0.00 0.00 178.44 179.32 3gqb n PHE 216 N -4.51 2.96 -1.27 1.13 3.72 -0.63 -4.65 117.46 114.22 3gqb n PHE 216 Ca -0.23 -2.72 -0.34 0.00 -0.05 0.00 0.00 57.45 54.11 3gqb n PHE 216 Cb 0.54 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 38.99 3gqb n PHE 216 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3gqb s PRO 217 N -3.55 1.86 -0.05 -1.08 0.04 0.18 -4.63 135.00 127.76 3gqb s PRO 217 Ca 0.47 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.37 3gqb s PRO 217 Cb 0.40 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 33.13 3gqb s PRO 217 CO -0.08 -2.06 -0.18 0.14 0.04 0.00 0.00 177.00 174.86 3gqb s VAL 218 N -1.99 2.75 0.74 -0.36 -7.23 -1.26 -4.51 120.40 108.53 3gqb s VAL 218 Ca 0.75 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.95 3gqb s VAL 218 Cb -0.30 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 34.62 3gqb s VAL 218 CO 0.48 0.58 1.18 0.00 -0.31 0.00 0.00 175.10 177.03 3gqb s ALA 219 N -0.53 2.12 -0.20 1.32 0.00 -1.25 0.22 121.76 123.44 3gqb s ALA 219 Ca 0.07 0.78 -0.33 0.00 0.00 0.00 0.00 51.96 52.48 3gqb s ALA 219 Cb -0.11 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3gqb s ALA 219 CO 0.01 -1.85 2.07 -0.12 0.00 0.00 0.00 175.76 175.87 3gqb n MET 220 N -2.83 1.79 -0.59 0.00 1.56 0.48 -0.30 117.12 117.23 3gqb n MET 220 Ca 0.13 0.58 0.00 0.00 -0.27 0.00 0.00 57.70 58.13 3gqb n MET 220 Cb 0.51 -2.75 0.00 0.00 2.15 0.00 0.00 33.22 33.13 3gqb n MET 220 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3gqb n GLY 221 N 5.43 0.74 2.57 -5.12 0.00 -1.26 -4.10 105.19 103.45 3gqb n GLY 221 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 3gqb n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 222 N -2.36 -2.63 3.49 -0.02 0.00 0.59 -2.48 105.19 101.78 3gqb n GLY 222 Ca 0.00 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 3gqb n GLY 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqb s THR 223 N -2.47 0.81 -0.28 2.61 -4.23 -1.26 -1.68 115.64 109.14 3gqb s THR 223 Ca 0.52 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.77 3gqb s THR 223 Cb -0.05 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.45 3gqb s THR 223 CO 0.40 0.00 1.28 0.00 -0.54 0.00 0.00 174.62 175.76 3gqb s ALA 224 N -3.27 -2.12 0.14 3.99 0.00 -0.44 -2.35 121.76 117.71 3gqb s ALA 224 Ca 0.28 1.75 0.08 0.00 0.00 0.00 0.00 51.96 54.08 3gqb s ALA 224 Cb 0.05 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 3gqb s ALA 224 CO 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 175.76 175.61 3gqb s ALA 225 N -0.10 2.88 -0.01 0.00 0.00 -1.07 0.02 121.76 123.47 3gqb s ALA 225 Ca 0.06 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.68 3gqb s ALA 225 Cb -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 3gqb s ALA 225 CO -0.11 0.56 -0.09 0.96 0.00 0.00 0.00 175.76 177.08 3gqb s ILE 226 N -1.39 0.71 -0.93 0.00 -4.36 0.63 -0.37 121.20 115.48 3gqb s ILE 226 Ca 0.22 -0.38 0.09 0.00 -0.26 0.00 0.00 60.65 60.32 3gqb s ILE 226 Cb -0.10 -0.60 0.44 0.00 1.25 0.00 0.00 42.46 43.46 3gqb s ILE 226 CO 0.13 0.20 1.23 -0.81 0.24 0.00 0.00 174.94 175.94 3gqb n PRO 227 N 2.89 2.91 0.00 0.37 -0.04 -1.25 0.12 135.00 139.99 3gqb n PRO 227 Ca -0.14 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 3gqb n PRO 227 Cb 0.57 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3gqb n PRO 227 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gqb n GLY 228 N 0.56 0.00 3.87 0.55 0.00 -1.22 -4.49 105.19 104.46 3gqb n GLY 228 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3gqb n GLY 228 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqb s PRO 229 N 0.00 3.82 0.90 1.61 0.04 -1.26 -4.82 135.00 135.29 3gqb s PRO 229 Ca 0.00 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 3gqb s PRO 229 Cb 0.00 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.25 3gqb s PRO 229 CO 0.00 -0.04 0.81 0.34 0.04 0.00 0.00 177.00 178.15 3gqb n PHE 230 N -1.23 -0.15 0.00 0.56 -0.00 -1.26 -3.42 117.46 111.96 3gqb n PHE 230 Ca 0.03 0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 3gqb n PHE 230 Cb 0.54 -1.92 0.00 0.00 -0.00 0.00 0.00 39.48 38.10 3gqb n PHE 230 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gqb n GLY 231 N 0.91 2.38 3.80 7.13 0.00 -1.26 -4.48 105.19 113.67 3gqb n GLY 231 Ca 0.10 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3gqb n GLY 231 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqb s SER 232 N 0.00 6.54 -1.41 1.61 0.15 -1.22 -4.76 113.70 114.62 3gqb s SER 232 Ca 0.00 1.90 -0.15 0.00 0.70 0.00 0.00 55.95 58.40 3gqb s SER 232 Cb 0.00 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3gqb s SER 232 CO 0.00 -0.64 2.12 0.61 1.20 0.00 0.00 173.24 176.53 3gqb n GLY 233 N -0.21 3.98 0.17 9.45 0.00 -1.26 -4.82 105.19 112.51 3gqb n GLY 233 Ca 0.08 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 3gqb n GLY 233 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gqb h LYS 234 N 6.39 -0.34 0.00 1.61 3.64 -1.93 -2.84 116.57 123.11 3gqb h LYS 234 Ca 0.54 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 3gqb h LYS 234 Cb 0.69 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3gqb h LYS 234 CO 1.80 -0.22 0.00 0.43 -2.27 0.00 0.00 179.45 179.19 3gqb n SER 235 N -3.37 0.00 -0.36 4.20 7.64 -1.26 -0.79 113.62 119.68 3gqb n SER 235 Ca -0.04 0.21 -0.05 0.00 1.01 0.00 0.00 58.87 59.99 3gqb n SER 235 Cb 0.16 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 3gqb n SER 235 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3gqb n VAL 236 N -0.65 -0.53 -0.20 0.44 0.31 -1.24 0.79 118.33 117.25 3gqb n VAL 236 Ca 0.00 2.11 -0.01 0.00 -0.01 0.00 0.00 64.34 66.43 3gqb n VAL 236 Cb 0.00 -2.70 0.10 0.00 -0.91 0.00 0.00 33.84 30.33 3gqb n VAL 236 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3gqb h THR 237 N 0.00 0.85 -0.09 2.52 2.02 -1.23 0.11 112.91 117.09 3gqb h THR 237 Ca 0.23 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3gqb h THR 237 Cb 0.45 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3gqb h THR 237 CO -0.86 0.09 0.03 1.56 0.37 0.00 0.00 175.52 176.71 3gqb h GLN 238 N 0.49 0.14 -0.54 6.66 4.20 0.25 -3.14 115.11 123.17 3gqb h GLN 238 Ca 0.29 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 3gqb h GLN 238 Cb 0.30 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3gqb h GLN 238 CO -0.25 0.30 0.33 1.96 -0.67 0.00 0.00 178.83 180.50 3gqb h GLN 239 N -0.05 0.72 -0.93 1.46 4.20 0.78 -2.65 115.11 118.64 3gqb h GLN 239 Ca 0.03 -0.06 0.23 0.00 0.06 0.00 0.00 58.65 58.91 3gqb h GLN 239 Cb 0.22 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 3gqb h GLN 239 CO -0.00 0.51 0.62 1.03 -0.67 0.00 0.00 178.83 180.32 3gqb h SER 240 N 0.72 0.31 0.38 1.46 0.87 -0.79 -1.51 113.55 115.00 3gqb h SER 240 Ca 0.19 0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.59 3gqb h SER 240 Cb -0.03 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3gqb h SER 240 CO -0.04 0.11 -0.87 -0.07 -0.53 0.00 0.00 176.83 175.43 3gqb h LEU 241 N 0.31 0.45 -0.82 2.23 3.38 -1.42 -0.73 115.31 118.70 3gqb h LEU 241 Ca 0.48 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3gqb h LEU 241 Cb 1.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3gqb h LEU 241 CO -0.15 1.12 0.01 0.00 0.09 0.00 0.00 178.44 179.51 3gqb h ALA 242 N 0.85 1.02 -0.01 1.53 0.00 -1.27 -0.72 119.26 120.66 3gqb h ALA 242 Ca -0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 3gqb h ALA 242 Cb 1.49 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3gqb h ALA 242 CO 0.15 0.61 -0.56 -0.22 0.00 0.00 0.00 179.25 179.23 3gqb h LYS 243 N 0.83 0.39 -0.06 0.00 3.64 -1.31 -3.40 116.57 116.67 3gqb h LYS 243 Ca 0.16 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3gqb h LYS 243 Cb 0.48 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3gqb h LYS 243 CO 0.02 1.08 0.00 0.91 -2.27 0.00 0.00 179.45 179.19 3gqb n TRP 244 N -4.25 0.07 -2.56 1.91 7.02 -0.29 -4.50 117.44 114.84 3gqb n TRP 244 Ca -0.10 -0.12 -0.33 0.00 -1.02 0.00 0.00 57.50 55.92 3gqb n TRP 244 Cb 0.65 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.49 3gqb n TRP 244 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gqb s SER 245 N -0.70 6.48 -0.84 -0.99 1.04 -0.29 -4.44 113.70 113.97 3gqb s SER 245 Ca 0.10 1.82 -0.05 0.00 0.48 0.00 0.00 55.95 58.30 3gqb s SER 245 Cb 0.07 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 3gqb s SER 245 CO 0.09 -0.68 2.08 -0.46 0.98 0.00 0.00 173.24 175.26 3gqb n ASN 246 N -1.03 4.70 -4.15 7.02 6.94 -0.30 -4.80 115.26 123.65 3gqb n ASN 246 Ca 0.08 -2.30 -0.22 0.00 -0.02 0.00 0.00 54.58 52.12 3gqb n ASN 246 Cb 0.53 -1.06 -0.14 0.00 -2.36 0.00 0.00 39.78 36.74 3gqb n ASN 246 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gqb s ALA 247 N 3.37 1.30 -0.10 -2.53 0.00 -1.26 -4.81 121.76 117.73 3gqb s ALA 247 Ca 0.38 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.72 3gqb s ALA 247 Cb 0.10 -0.27 -0.11 0.00 0.00 0.00 0.00 23.12 22.84 3gqb s ALA 247 CO -0.03 0.29 0.97 -0.44 0.00 0.00 0.00 175.76 176.55 3gqb h ASP 248 N 5.32 0.00 -5.01 0.00 5.19 0.73 -3.48 116.42 119.17 3gqb h ASP 248 Ca -0.37 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.90 3gqb h ASP 248 Cb 1.17 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.48 3gqb h ASP 248 CO 0.46 0.64 -0.46 -0.69 -3.12 0.00 0.00 179.24 176.07 3gqb s VAL 249 N -2.88 0.09 -0.12 -1.35 1.01 -0.89 -4.96 120.40 111.31 3gqb s VAL 249 Ca -0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3gqb s VAL 249 Cb 0.08 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.89 3gqb s VAL 249 CO 0.80 -0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 174.72 3gqb s VAL 250 N -1.77 1.02 -0.24 2.92 1.01 -0.44 -0.70 120.40 122.20 3gqb s VAL 250 Ca -0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 3gqb s VAL 250 Cb -0.05 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3gqb s VAL 250 CO -0.00 0.33 0.16 -0.69 0.00 0.00 0.00 175.10 174.89 3gqb s VAL 251 N 1.71 5.30 -0.51 2.92 1.01 0.33 -1.75 120.40 129.40 3gqb s VAL 251 Ca 0.04 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3gqb s VAL 251 Cb -0.13 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 32.91 3gqb s VAL 251 CO -0.08 0.34 0.33 -0.47 0.00 0.00 0.00 175.10 175.22 3gqb s TYR 252 N 1.11 3.50 -0.09 5.22 5.04 -0.32 -2.43 117.35 129.38 3gqb s TYR 252 Ca 0.07 -2.43 -0.25 0.00 -2.44 0.00 0.00 57.07 52.03 3gqb s TYR 252 Cb -0.14 -3.28 -0.03 0.00 0.35 0.00 0.00 41.96 38.86 3gqb s TYR 252 CO 0.05 -0.93 0.77 0.54 -1.34 0.00 0.00 175.55 174.64 3gqb s VAL 253 N 0.70 4.98 -0.09 3.14 0.11 -1.13 -1.94 120.40 126.16 3gqb s VAL 253 Ca 0.11 1.56 -0.03 0.00 -2.93 0.00 0.00 61.98 60.69 3gqb s VAL 253 Cb -0.22 -4.10 0.04 0.00 -1.53 0.00 0.00 36.38 30.58 3gqb s VAL 253 CO -0.04 0.17 0.08 -0.83 -3.33 0.00 0.00 175.10 171.16 3gqb s GLY 254 N 0.95 0.24 0.18 6.54 0.00 0.52 -2.38 107.32 113.37 3gqb s GLY 254 Ca 0.39 0.05 -0.03 0.00 0.00 0.00 0.00 44.72 45.14 3gqb s GLY 254 CO 0.17 1.56 0.15 -1.35 0.00 0.00 0.00 173.10 173.63 3gqb s SER 255 N 2.18 0.17 -0.79 1.64 1.04 -1.26 -1.23 113.70 115.45 3gqb s SER 255 Ca 0.04 -1.26 -0.00 0.00 0.48 0.00 0.00 55.95 55.21 3gqb s SER 255 Cb -0.14 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 3gqb s SER 255 CO -0.06 -0.84 0.66 0.61 0.98 0.00 0.00 173.24 174.60 3gqb n GLY 256 N -0.22 -0.13 3.63 7.32 0.00 -0.77 -4.17 105.19 110.86 3gqb n GLY 256 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3gqb n GLY 256 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqb s GLU 257 N -4.83 2.25 0.16 1.61 0.41 -0.16 -4.62 118.70 113.52 3gqb s GLU 257 Ca 0.03 -1.39 -0.31 0.00 -0.41 0.00 0.00 54.97 52.88 3gqb s GLU 257 Cb -0.00 -2.16 -0.11 0.00 -1.78 0.00 0.00 34.13 30.08 3gqb s GLU 257 CO 0.49 0.38 1.78 1.03 -0.49 0.00 0.00 175.26 178.45 3gqb s ARG 258 N -3.51 4.13 0.45 1.61 0.52 -1.26 -1.11 118.95 119.77 3gqb s ARG 258 Ca 0.30 2.60 0.30 0.00 -0.52 0.00 0.00 55.73 58.42 3gqb s ARG 258 Cb -0.07 -3.38 1.41 0.00 0.52 0.00 0.00 34.95 33.44 3gqb s ARG 258 CO 0.19 -0.80 1.65 0.78 0.02 0.00 0.00 175.30 177.14 3gqb h GLY 259 N 7.85 1.10 1.33 -3.53 0.00 -1.97 0.25 103.07 108.10 3gqb h GLY 259 Ca -0.45 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 46.59 3gqb h GLY 259 CO 0.95 -0.30 -1.22 3.43 0.00 0.00 0.00 176.54 179.40 3gqb h ASN 260 N 0.12 0.00 -0.04 0.19 2.35 -1.98 -0.69 115.58 115.54 3gqb h ASN 260 Ca 0.78 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.53 3gqb h ASN 260 Cb 2.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.86 3gqb h ASN 260 CO -0.34 0.68 0.01 -0.08 -1.65 0.00 0.00 177.43 176.05 3gqb h GLU 261 N 0.00 0.02 -0.33 0.81 4.57 -1.41 -1.78 114.58 116.47 3gqb h GLU 261 Ca -0.13 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.95 3gqb h GLU 261 Cb 1.64 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.21 3gqb h GLU 261 CO 0.07 0.02 -0.18 1.98 -1.18 0.00 0.00 179.01 179.71 3gqb h MET 262 N 0.02 0.70 -0.12 1.92 4.05 -0.61 -3.03 114.93 117.87 3gqb h MET 262 Ca 0.02 -0.32 -0.09 0.00 -0.28 0.00 0.00 59.70 59.03 3gqb h MET 262 Cb 0.01 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3gqb h MET 262 CO -0.02 0.92 -0.33 1.15 0.23 0.00 0.00 176.91 178.85 3gqb h THR 263 N 0.47 1.28 0.00 -0.77 2.02 -1.15 0.96 112.91 115.71 3gqb h THR 263 Ca 0.07 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.93 3gqb h THR 263 Cb 0.72 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3gqb h THR 263 CO 0.05 0.40 0.07 0.47 0.37 0.00 0.00 175.52 176.88 3gqb n ASP 264 N -4.09 0.00 -0.06 4.18 9.92 -0.67 -1.68 116.55 124.15 3gqb n ASP 264 Ca -0.01 0.21 -0.05 0.00 -0.53 0.00 0.00 54.79 54.40 3gqb n ASP 264 Cb 0.42 -0.21 -0.09 0.00 -0.64 0.00 0.00 41.12 40.60 3gqb n ASP 264 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3gqb n VAL 265 N -1.15 0.78 1.46 2.53 0.31 0.33 -3.61 118.33 118.98 3gqb n VAL 265 Ca 0.00 -0.49 0.14 0.00 -0.01 0.00 0.00 64.34 63.98 3gqb n VAL 265 Cb 0.07 -0.66 0.56 0.00 -0.91 0.00 0.00 33.84 32.90 3gqb n VAL 265 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gqb n LEU 266 N -2.42 0.90 -0.03 7.52 4.77 -0.68 -2.63 117.00 124.44 3gqb n LEU 266 Ca -0.19 -0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 55.53 3gqb n LEU 266 Cb 0.86 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 3gqb n LEU 266 CO 0.25 0.16 -0.67 0.52 -1.33 0.00 0.00 177.39 176.32 3gqb n VAL 267 N -0.51 0.30 0.19 4.08 0.31 -1.04 -4.59 118.33 117.08 3gqb n VAL 267 Ca 0.16 -0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3gqb n VAL 267 Cb 0.30 -0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 3gqb n VAL 267 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gqb h GLU 268 N -0.00 -0.50 -0.66 5.55 5.08 -1.66 -3.34 114.58 119.05 3gqb h GLU 268 Ca -0.12 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3gqb h GLU 268 Cb 1.18 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.42 3gqb h GLU 268 CO -0.02 -0.19 -0.18 0.74 -1.00 0.00 0.00 179.01 178.37 3gqb h PHE 269 N -0.90 -0.38 0.00 4.33 -1.00 -1.77 0.28 116.94 117.50 3gqb h PHE 269 Ca -0.05 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3gqb h PHE 269 Cb 0.55 0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.38 3gqb h PHE 269 CO 0.02 -0.29 0.11 -2.30 -1.61 0.00 0.00 178.31 174.24 3gqb n PRO 270 N -5.45 0.00 -0.00 1.51 -0.02 -1.25 -1.00 135.00 128.78 3gqb n PRO 270 Ca 0.08 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 3gqb n PRO 270 Cb 0.35 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 3gqb n PRO 270 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gqb n GLU 271 N -1.34 1.23 -1.62 -0.52 -0.58 0.08 -4.93 120.64 112.96 3gqb n GLU 271 Ca 0.00 -0.07 -0.33 0.00 -0.42 0.00 0.00 57.16 56.34 3gqb n GLU 271 Cb 0.11 -1.30 0.06 0.00 -0.57 0.00 0.00 31.44 29.75 3gqb n GLU 271 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3gqb s LEU 272 N -3.40 3.33 -0.06 -4.62 1.43 -0.17 -4.98 118.68 110.21 3gqb s LEU 272 Ca 0.00 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 3gqb s LEU 272 Cb 0.11 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.74 3gqb s LEU 272 CO 0.64 -1.83 -0.09 -0.89 0.23 0.00 0.00 176.35 174.40 3gqb s THR 273 N -2.32 3.48 -0.47 5.49 2.01 -1.26 -2.59 115.64 119.97 3gqb s THR 273 Ca 0.68 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 3gqb s THR 273 Cb -0.22 -2.40 0.03 0.00 0.01 0.00 0.00 72.50 69.92 3gqb s THR 273 CO 0.44 0.59 1.16 -0.62 -0.69 0.00 0.00 174.62 175.50 3gqb s ASP 274 N -0.76 6.61 0.56 3.53 -1.08 0.15 -4.60 116.67 121.08 3gqb s ASP 274 Ca 0.12 0.49 0.28 0.00 -0.52 0.00 0.00 52.55 52.91 3gqb s ASP 274 Cb -0.11 -2.55 1.63 0.00 -1.46 0.00 0.00 42.92 40.44 3gqb s ASP 274 CO 0.01 -1.27 2.17 1.55 0.52 0.00 0.00 175.17 178.15 3gqb h PRO 275 N 9.34 0.00 -0.07 4.34 0.13 -1.85 0.28 132.00 144.17 3gqb h PRO 275 Ca -0.23 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 3gqb h PRO 275 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3gqb h PRO 275 CO 1.13 0.05 -0.58 0.87 -0.23 0.00 0.00 178.00 179.24 3gqb h LYS 276 N 0.00 0.23 0.00 0.86 1.57 -1.91 -3.39 116.57 113.93 3gqb h LYS 276 Ca -0.00 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3gqb h LYS 276 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3gqb h LYS 276 CO 0.01 0.75 -1.39 0.25 -0.57 0.00 0.00 179.45 178.49 3gqb n THR 277 N -3.89 0.39 -0.02 -0.16 -2.24 -0.88 -5.03 114.28 102.46 3gqb n THR 277 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3gqb n THR 277 Cb 0.60 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3gqb n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqb n GLY 278 N 2.96 0.29 3.12 3.38 0.00 0.95 -5.06 105.19 110.82 3gqb n GLY 278 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3gqb n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 279 N -2.00 3.06 3.67 -0.02 0.00 -1.25 -4.79 105.19 103.85 3gqb n GLY 279 Ca 0.00 -2.30 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 3gqb n GLY 279 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gqb n PRO 280 N -1.42 0.64 0.18 1.61 -0.02 -1.26 0.31 135.00 135.05 3gqb n PRO 280 Ca -0.06 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 3gqb n PRO 280 Cb 0.52 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.73 3gqb n PRO 280 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gqb h LEU 281 N -0.13 0.00 -2.05 2.45 5.85 -1.75 -3.30 115.31 116.38 3gqb h LEU 281 Ca -0.48 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.35 3gqb h LEU 281 Cb 1.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3gqb h LEU 281 CO 0.49 0.20 0.32 0.24 -0.34 0.00 0.00 178.44 179.35 3gqb h MET 282 N 0.00 0.00 0.00 1.25 2.86 -1.83 -1.67 114.93 115.54 3gqb h MET 282 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3gqb h MET 282 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3gqb h MET 282 CO 0.03 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.72 3gqb n HIS 283 N -4.13 0.00 -2.63 -0.22 8.25 -1.24 -1.66 115.22 113.59 3gqb n HIS 283 Ca 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.51 3gqb n HIS 283 Cb 0.51 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.69 3gqb n HIS 283 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3gqb n ARG 284 N -0.51 1.21 -3.87 -0.41 1.85 -0.63 -4.56 116.66 109.75 3gqb n ARG 284 Ca 0.00 -1.93 -0.12 0.00 -1.00 0.00 0.00 57.85 54.81 3gqb n ARG 284 Cb 0.00 -0.20 -0.14 0.00 -1.05 0.00 0.00 32.46 31.07 3gqb n ARG 284 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3gqb s THR 285 N -1.07 0.00 -0.11 8.89 2.01 -1.08 -1.32 115.64 122.96 3gqb s THR 285 Ca 0.15 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 3gqb s THR 285 Cb 0.35 -0.02 -0.03 0.00 0.01 0.00 0.00 72.50 72.81 3gqb s THR 285 CO -0.09 -0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.16 3gqb s VAL 286 N -0.00 4.38 -0.17 3.82 1.01 -0.72 -0.99 120.40 127.72 3gqb s VAL 286 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3gqb s VAL 286 Cb -0.00 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3gqb s VAL 286 CO 0.00 0.57 -0.16 -0.76 0.00 0.00 0.00 175.10 174.74 3gqb s LEU 287 N -0.49 2.36 -0.16 3.92 1.43 -1.09 -1.18 118.68 123.47 3gqb s LEU 287 Ca 0.09 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 3gqb s LEU 287 Cb -0.12 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3gqb s LEU 287 CO 0.02 0.03 0.47 -0.63 0.23 0.00 0.00 176.35 176.47 3gqb s ILE 288 N 1.12 5.17 -0.01 -0.59 1.09 -0.82 -1.36 121.20 125.79 3gqb s ILE 288 Ca 0.00 0.89 0.04 0.00 -1.10 0.00 0.00 60.65 60.49 3gqb s ILE 288 Cb -0.14 -3.80 -0.01 0.00 -1.06 0.00 0.00 42.46 37.44 3gqb s ILE 288 CO -0.06 0.26 -0.14 0.00 -0.10 0.00 0.00 174.94 174.90 3gqb s ALA 289 N 1.09 1.17 -0.11 9.38 0.00 0.65 -0.35 121.76 133.58 3gqb s ALA 289 Ca 0.24 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.36 3gqb s ALA 289 Cb -0.15 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3gqb s ALA 289 CO 0.09 0.28 0.54 -0.80 0.00 0.00 0.00 175.76 175.88 3gqb s ASN 290 N -0.38 -0.51 0.28 0.00 0.02 -0.36 -4.14 114.94 109.85 3gqb s ASN 290 Ca 0.05 0.74 0.11 0.00 -1.02 0.00 0.00 52.86 52.74 3gqb s ASN 290 Cb -0.06 0.74 -0.05 0.00 0.02 0.00 0.00 41.25 41.90 3gqb s ASN 290 CO -0.00 -0.39 -0.17 0.42 0.02 0.00 0.00 177.10 176.97 3gqb s THR 291 N -0.59 2.34 0.13 1.60 -4.23 -1.26 -0.99 115.64 112.64 3gqb s THR 291 Ca -0.07 -2.35 -0.15 0.00 -1.18 0.00 0.00 61.69 57.94 3gqb s THR 291 Cb -0.03 -2.34 0.08 0.00 1.34 0.00 0.00 72.50 71.55 3gqb s THR 291 CO 0.05 -0.38 1.02 -1.20 -0.54 0.00 0.00 174.62 173.56 3gqb n SER 292 N -0.62 -0.53 -0.73 3.99 7.64 -0.27 -1.86 113.62 121.24 3gqb n SER 292 Ca -0.05 1.16 0.12 0.00 1.01 0.00 0.00 58.87 61.11 3gqb n SER 292 Cb 0.61 -0.22 0.21 0.00 -1.01 0.00 0.00 64.21 63.80 3gqb n SER 292 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3gqb n ASN 293 N -4.92 2.36 -4.77 6.43 6.94 -1.26 -4.87 115.26 115.17 3gqb n ASN 293 Ca 0.05 -1.74 -0.38 0.00 -0.02 0.00 0.00 54.58 52.49 3gqb n ASN 293 Cb 0.23 0.07 -0.05 0.00 -2.36 0.00 0.00 39.78 37.67 3gqb n ASN 293 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3gqb s MET 294 N -2.10 4.58 0.40 -3.83 -1.94 -0.77 -4.92 119.30 110.72 3gqb s MET 294 Ca 0.29 1.52 -0.23 0.00 -1.71 0.00 0.00 55.69 55.56 3gqb s MET 294 Cb 0.20 -2.96 -0.13 0.00 2.01 0.00 0.00 34.83 33.95 3gqb s MET 294 CO 0.36 0.24 0.58 -2.30 -0.01 0.00 0.00 175.02 173.89 3gqb n PRO 295 N 0.81 0.61 0.20 2.03 -0.02 -1.26 -4.72 135.00 132.65 3gqb n PRO 295 Ca 0.01 0.22 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 3gqb n PRO 295 Cb 0.48 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 3gqb n PRO 295 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gqb h VAL 296 N 0.91 0.00 -1.19 -1.45 2.07 -1.91 -2.28 116.25 112.39 3gqb h VAL 296 Ca -0.40 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.54 3gqb h VAL 296 Cb 1.40 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.02 3gqb h VAL 296 CO 0.52 0.00 0.73 0.00 0.02 0.00 0.00 177.57 178.85 3gqb h ALA 297 N -0.81 2.47 -0.15 1.67 0.00 -1.90 -1.53 119.26 119.01 3gqb h ALA 297 Ca -0.04 0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3gqb h ALA 297 Cb 0.78 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3gqb h ALA 297 CO -0.15 -1.14 -0.67 0.00 0.00 0.00 0.00 179.25 177.30 3gqb h ALA 298 N 1.73 0.28 0.00 0.00 0.00 -1.75 -1.64 119.26 117.89 3gqb h ALA 298 Ca 0.81 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gqb h ALA 298 Cb 2.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.12 3gqb h ALA 298 CO -0.53 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.32 3gqb h ARG 299 N 0.42 0.00 0.00 0.00 3.08 -1.22 0.16 114.38 116.81 3gqb h ARG 299 Ca -0.04 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.61 3gqb h ARG 299 Cb 1.30 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 3gqb h ARG 299 CO 0.14 0.00 -2.17 -1.91 -1.07 0.00 0.00 179.97 174.96 3gqb n GLU 300 N -2.99 0.58 -0.24 0.04 0.00 -1.11 -4.34 120.64 112.60 3gqb n GLU 300 Ca -0.03 0.35 0.04 0.00 0.00 0.00 0.00 57.16 57.53 3gqb n GLU 300 Cb 0.08 -1.57 0.16 0.00 0.00 0.00 0.00 31.44 30.11 3gqb n GLU 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gqb h ALA 301 N -0.83 0.86 0.00 4.31 0.00 -1.23 -3.34 119.26 119.02 3gqb h ALA 301 Ca -0.60 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3gqb h ALA 301 Cb 1.53 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3gqb h ALA 301 CO -0.36 -0.35 0.00 -1.13 0.00 0.00 0.00 179.25 177.42 3gqb n SER 302 N -5.18 0.00 0.28 0.00 3.41 0.54 0.32 113.62 112.99 3gqb n SER 302 Ca 0.13 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.88 3gqb n SER 302 Cb 0.43 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.22 3gqb n SER 302 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3gqb h ILE 303 N 0.00 0.48 0.00 -1.33 3.07 -1.85 0.54 117.51 118.43 3gqb h ILE 303 Ca 0.00 -0.29 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 3gqb h ILE 303 Cb 0.00 1.19 -0.00 0.00 -0.27 0.00 0.00 36.82 37.74 3gqb h ILE 303 CO 0.00 0.06 -0.07 1.88 -1.05 0.00 0.00 178.15 178.97 3gqb h TYR 304 N 0.00 0.00 -0.85 0.16 0.05 0.48 0.40 116.97 117.22 3gqb h TYR 304 Ca -0.00 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.00 3gqb h TYR 304 Cb 0.19 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.79 3gqb h TYR 304 CO 0.00 0.83 0.14 0.28 -1.05 0.00 0.00 178.16 178.36 3gqb h VAL 305 N -1.00 0.30 -0.13 -2.88 2.07 -1.11 0.29 116.25 113.78 3gqb h VAL 305 Ca -0.02 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 3gqb h VAL 305 Cb 0.82 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3gqb h VAL 305 CO -0.01 0.03 -0.43 1.23 0.02 0.00 0.00 177.57 178.41 3gqb h GLY 306 N 0.16 0.34 1.35 2.17 0.00 -0.89 -0.82 103.07 105.38 3gqb h GLY 306 Ca 0.51 -0.34 -0.26 0.00 0.00 0.00 0.00 47.33 47.24 3gqb h GLY 306 CO -0.68 0.30 -1.07 -0.24 0.00 0.00 0.00 176.54 174.85 3gqb h VAL 307 N 0.26 1.33 0.30 4.60 3.04 0.69 0.41 116.25 126.88 3gqb h VAL 307 Ca 0.02 -2.41 -0.01 0.00 -1.01 0.00 0.00 66.70 63.29 3gqb h VAL 307 Cb 0.87 2.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 3gqb h VAL 307 CO 0.07 0.73 -0.14 0.74 -1.01 0.00 0.00 177.57 177.96 3gqb h THR 308 N 0.30 0.71 -0.46 3.17 2.02 -0.43 0.45 112.91 118.67 3gqb h THR 308 Ca -0.13 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.09 3gqb h THR 308 Cb 1.73 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 68.80 3gqb h THR 308 CO 0.20 0.01 -0.04 0.40 0.37 0.00 0.00 175.52 176.46 3gqb h ILE 309 N -0.43 0.61 -0.99 3.11 2.04 -1.18 0.18 117.51 120.85 3gqb h ILE 309 Ca -0.04 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3gqb h ILE 309 Cb 0.33 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 3gqb h ILE 309 CO 0.07 0.01 0.64 0.00 0.00 0.00 0.00 178.15 178.88 3gqb h ALA 310 N 1.42 1.41 -0.54 1.87 0.00 0.34 -2.33 119.26 121.43 3gqb h ALA 310 Ca 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3gqb h ALA 310 Cb 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gqb h ALA 310 CO -0.41 0.45 0.07 0.93 0.00 0.00 0.00 179.25 180.29 3gqb h GLU 311 N 1.17 0.91 0.20 0.00 5.08 0.19 -0.97 114.58 121.15 3gqb h GLU 311 Ca 0.42 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3gqb h GLU 311 Cb 0.15 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3gqb h GLU 311 CO -0.16 0.89 -0.37 -0.92 -1.00 0.00 0.00 179.01 177.44 3gqb h TYR 312 N 0.79 -1.02 -0.91 4.33 3.20 -0.21 0.18 116.97 123.33 3gqb h TYR 312 Ca 0.16 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.14 3gqb h TYR 312 Cb 0.43 0.42 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 3gqb h TYR 312 CO 0.03 -0.49 0.59 0.74 -1.64 0.00 0.00 178.16 177.39 3gqb h PHE 313 N -0.65 1.00 -0.50 -3.82 0.04 -1.43 -0.01 116.94 111.57 3gqb h PHE 313 Ca 0.01 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.89 3gqb h PHE 313 Cb 0.65 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 38.41 3gqb h PHE 313 CO -0.29 0.48 0.12 -0.09 -0.60 0.00 0.00 178.31 177.93 3gqb h ARG 314 N 0.94 0.26 0.00 1.51 2.43 -0.57 -3.04 114.38 115.92 3gqb h ARG 314 Ca 0.41 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 3gqb h ARG 314 Cb 0.35 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3gqb h ARG 314 CO -0.17 0.17 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.99 3gqb h ASP 315 N 0.27 0.00 -0.02 -3.80 3.32 0.13 0.31 116.42 116.64 3gqb h ASP 315 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gqb h ASP 315 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3gqb h ASP 315 CO -0.31 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.24 3gqb n GLN 316 N -3.54 1.23 -0.66 3.56 6.02 -1.15 -4.66 117.38 118.19 3gqb n GLN 316 Ca -0.03 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 3gqb n GLN 316 Cb 0.13 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3gqb n GLN 316 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqb n GLY 317 N 1.01 1.39 3.90 1.08 0.00 0.11 -4.92 105.19 107.77 3gqb n GLY 317 Ca 0.20 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 3gqb n GLY 317 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqb s PHE 318 N -2.00 2.95 -0.00 1.61 2.99 -1.18 -4.58 117.98 117.77 3gqb s PHE 318 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 56.93 56.44 3gqb s PHE 318 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 43.02 41.06 3gqb s PHE 318 CO 0.00 0.08 0.58 0.45 -0.00 0.00 0.00 175.22 176.33 3gqb s SER 319 N -4.07 6.96 -0.09 1.36 0.15 -1.26 -2.07 113.70 114.67 3gqb s SER 319 Ca 0.43 1.14 0.04 0.00 0.70 0.00 0.00 55.95 58.26 3gqb s SER 319 Cb -0.07 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3gqb s SER 319 CO 0.28 0.12 -0.22 -0.69 1.20 0.00 0.00 173.24 173.93 3gqb s VAL 320 N -0.27 1.92 -0.26 4.45 1.01 -0.66 0.13 120.40 126.72 3gqb s VAL 320 Ca 0.30 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 3gqb s VAL 320 Cb -0.18 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3gqb s VAL 320 CO 0.17 0.53 0.10 0.00 0.00 0.00 0.00 175.10 175.90 3gqb s ALA 321 N 0.37 3.27 -0.19 5.51 0.00 0.13 -2.05 121.76 128.79 3gqb s ALA 321 Ca -0.18 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3gqb s ALA 321 Cb -0.17 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.76 3gqb s ALA 321 CO 0.08 -0.51 -0.17 -1.17 0.00 0.00 0.00 175.76 173.99 3gqb s LEU 322 N 1.66 2.27 -0.26 0.00 2.96 -0.83 -0.51 118.68 123.96 3gqb s LEU 322 Ca 0.07 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 3gqb s LEU 322 Cb -0.15 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3gqb s LEU 322 CO 0.06 -0.00 0.01 0.00 -1.32 0.00 0.00 176.35 175.09 3gqb s MET 323 N 1.32 3.18 -0.07 1.98 0.00 -1.02 -1.38 119.30 123.32 3gqb s MET 323 Ca 0.05 -0.77 -0.15 0.00 0.00 0.00 0.00 55.69 54.83 3gqb s MET 323 Cb -0.13 -3.17 -0.05 0.00 0.00 0.00 0.00 34.83 31.48 3gqb s MET 323 CO -0.11 -0.33 0.37 0.00 0.00 0.00 0.00 175.02 174.95 3gqb s ALA 324 N 1.47 3.64 -0.27 3.16 0.00 -1.23 -2.84 121.76 125.70 3gqb s ALA 324 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 3gqb s ALA 324 Cb -0.16 -2.40 0.15 0.00 0.00 0.00 0.00 23.12 20.71 3gqb s ALA 324 CO -0.01 0.31 0.49 0.34 0.00 0.00 0.00 175.76 176.89 3gqb s ASP 325 N -0.37 -0.56 -0.00 0.00 2.15 -1.00 -1.55 116.67 115.33 3gqb s ASP 325 Ca 0.22 0.65 0.05 0.00 0.43 0.00 0.00 52.55 53.89 3gqb s ASP 325 Cb -0.15 1.64 -0.03 0.00 -0.30 0.00 0.00 42.92 44.08 3gqb s ASP 325 CO 0.10 -0.27 -0.14 -0.55 -0.17 0.00 0.00 175.17 174.14 3gqb s SER 326 N 2.70 4.10 0.15 -0.34 0.15 -1.26 -4.13 113.70 115.08 3gqb s SER 326 Ca 0.14 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.53 3gqb s SER 326 Cb -0.15 -0.82 -0.05 0.00 -1.71 0.00 0.00 66.02 63.29 3gqb s SER 326 CO -0.18 0.30 1.34 0.00 1.20 0.00 0.00 173.24 175.90 3gqb h THR 327 N 4.04 1.49 -0.18 6.45 1.03 -1.34 -1.56 112.91 122.84 3gqb h THR 327 Ca -0.47 -2.65 -0.09 0.00 -0.01 0.00 0.00 66.41 63.19 3gqb h THR 327 Cb 1.16 2.50 -0.01 0.00 -1.07 0.00 0.00 68.15 70.73 3gqb h THR 327 CO 0.50 0.77 -0.27 0.28 -0.01 0.00 0.00 175.52 176.79 3gqb h SER 328 N 0.12 0.34 0.28 0.00 0.02 -1.89 -2.06 113.55 110.36 3gqb h SER 328 Ca -0.05 -0.11 -0.23 0.00 -0.84 0.00 0.00 61.79 60.56 3gqb h SER 328 Cb 1.56 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.01 3gqb h SER 328 CO 0.14 0.61 -0.92 0.03 -1.14 0.00 0.00 176.83 175.55 3gqb h ARG 329 N 0.30 0.45 -0.22 3.45 3.08 -1.80 -0.13 114.38 119.51 3gqb h ARG 329 Ca 0.04 -0.47 0.06 0.00 0.07 0.00 0.00 59.98 59.69 3gqb h ARG 329 Cb 0.64 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.75 3gqb h ARG 329 CO 0.05 1.12 -0.23 2.35 -1.07 0.00 0.00 179.97 182.18 3gqb h TRP 330 N 0.26 -0.62 -0.90 3.04 7.01 -1.24 -1.84 115.95 121.67 3gqb h TRP 330 Ca -0.08 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.03 3gqb h TRP 330 Cb 1.56 0.31 -0.06 0.00 -2.10 0.00 0.00 29.16 28.86 3gqb h TRP 330 CO 0.06 -0.31 0.58 0.00 -2.79 0.00 0.00 178.44 175.98 3gqb h ALA 331 N 0.78 1.55 0.12 2.65 0.00 -1.08 -0.22 119.26 123.06 3gqb h ALA 331 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gqb h ALA 331 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gqb h ALA 331 CO -0.36 0.30 -0.19 1.49 0.00 0.00 0.00 179.25 180.50 3gqb h GLU 332 N 0.98 -0.35 -0.67 0.00 4.22 -0.76 -1.36 114.58 116.64 3gqb h GLU 332 Ca 0.39 0.02 0.14 0.00 0.08 0.00 0.00 59.36 60.00 3gqb h GLU 332 Cb 0.25 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 3gqb h GLU 332 CO -0.15 -0.24 0.13 0.00 -2.18 0.00 0.00 179.01 176.57 3gqb h ALA 333 N 0.44 0.81 0.00 2.92 0.00 -0.28 0.92 119.26 124.08 3gqb h ALA 333 Ca 0.02 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gqb h ALA 333 Cb 0.38 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gqb h ALA 333 CO -0.09 -0.34 -0.01 1.25 0.00 0.00 0.00 179.25 180.06 3gqb h LEU 334 N 0.23 0.00 -0.07 0.00 5.85 -0.67 -2.19 115.31 118.46 3gqb h LEU 334 Ca 0.37 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 3gqb h LEU 334 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3gqb h LEU 334 CO -0.49 0.01 -0.28 -0.09 -0.34 0.00 0.00 178.44 177.25 3gqb h ARG 335 N 0.00 0.32 -0.18 1.25 2.43 0.28 -2.82 114.38 115.66 3gqb h ARG 335 Ca -0.00 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3gqb h ARG 335 Cb 0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3gqb h ARG 335 CO 0.00 0.88 0.09 1.49 -1.51 0.00 0.00 179.97 180.92 3gqb h GLU 336 N -0.17 0.19 0.51 0.20 4.22 -0.91 -0.03 114.58 118.57 3gqb h GLU 336 Ca -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 3gqb h GLU 336 Cb 0.92 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3gqb h GLU 336 CO 0.06 0.12 -0.39 0.82 -2.18 0.00 0.00 179.01 177.44 3gqb h ILE 337 N 0.19 0.20 -0.86 2.32 5.03 -1.49 0.42 117.51 123.33 3gqb h ILE 337 Ca 0.07 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.97 3gqb h ILE 337 Cb 0.01 0.20 -0.15 0.00 -3.03 0.00 0.00 36.82 33.85 3gqb h ILE 337 CO -0.05 0.00 -0.27 -0.24 -0.68 0.00 0.00 178.15 176.91 3gqb n SER 338 N -5.51 -0.42 -0.04 1.72 2.88 -1.06 0.38 113.62 111.57 3gqb n SER 338 Ca -0.12 1.49 -0.11 0.00 -1.33 0.00 0.00 58.87 58.80 3gqb n SER 338 Cb 0.40 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3gqb n SER 338 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3gqb h SER 339 N 0.00 0.24 -0.40 -3.46 0.87 -0.04 -0.94 113.55 109.82 3gqb h SER 339 Ca 0.36 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3gqb h SER 339 Cb 0.58 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 3gqb h SER 339 CO -0.87 0.38 0.23 0.03 -0.53 0.00 0.00 176.83 176.07 3gqb h ARG 340 N 0.08 0.45 -0.20 2.24 3.08 0.27 1.77 114.38 122.08 3gqb h ARG 340 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gqb h ARG 340 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3gqb h ARG 340 CO -0.00 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 3gqb n LEU 341 N -4.88 0.09 -1.88 3.04 4.77 0.16 -4.73 117.00 113.58 3gqb n LEU 341 Ca 0.01 -0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 3gqb n LEU 341 Cb 0.07 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3gqb n LEU 341 CO 0.32 0.02 -0.09 1.21 -1.33 0.00 0.00 177.39 177.52 3gqb n GLU 342 N 0.49 -1.88 -2.47 3.23 2.13 0.60 -4.88 120.64 117.86 3gqb n GLU 342 Ca 0.00 0.40 -0.40 0.00 0.66 0.00 0.00 57.16 57.82 3gqb n GLU 342 Cb 0.02 -4.77 -0.04 0.00 0.27 0.00 0.00 31.44 26.92 3gqb n GLU 342 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3gqb s GLU 343 N -3.89 4.63 0.03 5.31 2.02 -0.36 -4.97 118.70 121.46 3gqb s GLU 343 Ca 0.00 1.81 -0.30 0.00 0.02 0.00 0.00 54.97 56.50 3gqb s GLU 343 Cb 0.00 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 3gqb s GLU 343 CO 0.00 0.20 1.73 0.00 0.02 0.00 0.00 175.26 177.21 3gqb s MET 344 N -1.41 4.18 0.09 1.61 0.23 -1.26 -4.52 119.30 118.21 3gqb s MET 344 Ca 0.45 2.37 -0.32 0.00 -1.03 0.00 0.00 55.69 57.15 3gqb s MET 344 Cb -0.32 -3.83 -0.12 0.00 -1.53 0.00 0.00 34.83 29.04 3gqb s MET 344 CO 0.41 -0.82 1.79 -2.30 -2.03 0.00 0.00 175.02 172.07 3gqb n PRO 345 N 6.45 2.53 -1.95 3.16 -0.02 -1.26 -4.99 135.00 138.92 3gqb n PRO 345 Ca 0.17 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.28 3gqb n PRO 345 Cb 0.41 -2.78 0.16 0.00 -0.02 0.00 0.00 33.50 31.27 3gqb n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqb s ALA 346 N 2.64 2.39 0.07 3.55 0.00 -1.25 -4.98 121.76 124.18 3gqb s ALA 346 Ca 0.84 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 3gqb s ALA 346 Cb -0.57 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3gqb s ALA 346 CO 0.41 -2.21 1.59 -1.83 0.00 0.00 0.00 175.76 173.71 3gqb s GLU 347 N -5.78 4.22 -0.43 0.00 4.04 -1.26 -3.59 118.70 115.90 3gqb s GLU 347 Ca 0.71 2.26 -0.02 0.00 0.04 0.00 0.00 54.97 57.95 3gqb s GLU 347 Cb -0.06 -3.53 -0.03 0.00 0.02 0.00 0.00 34.13 30.54 3gqb s GLU 347 CO 0.52 -0.68 0.37 0.39 -1.84 0.00 0.00 175.26 174.02 3gqb n GLU 348 N 5.30 -0.91 -3.83 -4.83 4.71 -1.26 -4.50 120.64 115.31 3gqb n GLU 348 Ca 0.15 0.37 -0.27 0.00 -0.01 0.00 0.00 57.16 57.40 3gqb n GLU 348 Cb 0.41 -3.28 -0.07 0.00 -1.01 0.00 0.00 31.44 27.49 3gqb n GLU 348 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gqb n GLY 349 N -1.39 -0.17 3.57 0.62 0.00 -1.24 -4.90 105.19 101.68 3gqb n GLY 349 Ca -0.03 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 3gqb n GLY 349 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqb s TYR 350 N -3.51 -0.72 0.68 1.61 1.51 -1.26 -5.02 117.35 110.65 3gqb s TYR 350 Ca 0.25 1.67 -0.17 0.00 -1.01 0.00 0.00 57.07 57.81 3gqb s TYR 350 Cb -0.14 0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.96 3gqb s TYR 350 CO 0.75 -0.40 0.90 -0.35 -1.11 0.00 0.00 175.55 175.34 3gqb n PRO 351 N 2.38 0.61 -0.01 -1.71 -0.04 -1.26 -3.86 135.00 131.11 3gqb n PRO 351 Ca -0.15 0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 3gqb n PRO 351 Cb 0.56 -2.14 0.16 0.00 -0.04 0.00 0.00 33.50 32.03 3gqb n PRO 351 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3gqb n PRO 352 N -1.40 1.07 0.12 0.54 -0.04 -1.26 -2.63 135.00 131.38 3gqb n PRO 352 Ca 0.13 -0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 3gqb n PRO 352 Cb 0.49 -1.10 0.02 0.00 -0.04 0.00 0.00 33.50 32.86 3gqb n PRO 352 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3gqb h TYR 353 N 0.18 0.00 -0.55 0.54 0.99 -2.00 -3.42 116.97 112.70 3gqb h TYR 353 Ca 0.00 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 3gqb h TYR 353 Cb 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 37.70 3gqb h TYR 353 CO 0.02 0.28 -0.29 -0.11 -0.00 0.00 0.00 178.16 178.06 3gqb n LEU 354 N -2.95 -0.51 0.39 3.88 7.94 -1.08 -0.88 117.00 123.80 3gqb n LEU 354 Ca -0.01 0.97 -0.16 0.00 -1.11 0.00 0.00 56.01 55.70 3gqb n LEU 354 Cb 0.67 -0.16 -0.08 0.00 0.53 0.00 0.00 43.42 44.39 3gqb n LEU 354 CO 0.40 -0.82 0.53 0.00 -1.11 0.00 0.00 177.39 176.39 3gqb h ALA 355 N 0.43 -1.26 -0.83 1.96 0.00 -1.86 -0.62 119.26 117.08 3gqb h ALA 355 Ca 0.12 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.97 3gqb h ALA 355 Cb 0.26 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 3gqb h ALA 355 CO -0.52 -1.19 -0.23 0.00 0.00 0.00 0.00 179.25 177.30 3gqb n ALA 356 N -2.54 0.14 -0.01 0.00 0.00 -0.05 -0.99 120.51 117.05 3gqb n ALA 356 Ca -0.13 0.89 -0.17 0.00 0.00 0.00 0.00 53.44 54.04 3gqb n ALA 356 Cb 0.41 -0.51 -0.11 0.00 0.00 0.00 0.00 19.45 19.24 3gqb n ALA 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqb h ARG 357 N 0.00 0.33 0.00 0.00 3.08 -1.15 0.39 114.38 117.03 3gqb h ARG 357 Ca 0.38 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gqb h ARG 357 Cb 0.58 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3gqb h ARG 357 CO -0.85 1.05 0.61 -0.07 -1.07 0.00 0.00 179.97 179.64 3gqb h LEU 358 N -0.25 0.00 0.00 3.04 3.38 0.59 -0.32 115.31 121.75 3gqb h LEU 358 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 3gqb h LEU 358 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3gqb h LEU 358 CO 0.10 0.00 -1.81 0.00 0.09 0.00 0.00 178.44 176.81 3gqb n ALA 359 N -1.54 1.69 0.02 1.53 0.00 -0.66 -0.80 120.51 120.76 3gqb n ALA 359 Ca -0.01 -0.65 0.20 0.00 0.00 0.00 0.00 53.44 52.99 3gqb n ALA 359 Cb 0.63 0.13 0.70 0.00 0.00 0.00 0.00 19.45 20.91 3gqb n ALA 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqb h ALA 360 N 0.12 2.43 0.00 0.00 0.00 0.71 0.42 119.26 122.94 3gqb h ALA 360 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gqb h ALA 360 Cb 1.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3gqb h ALA 360 CO -0.04 -0.63 -0.02 0.35 0.00 0.00 0.00 179.25 178.91 3gqb h PHE 361 N 0.00 0.00 -0.74 0.00 3.57 -1.25 -3.36 116.94 115.16 3gqb h PHE 361 Ca 0.24 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.87 3gqb h PHE 361 Cb 0.98 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 3gqb h PHE 361 CO 0.00 0.00 0.49 1.88 -2.23 0.00 0.00 178.31 178.45 3gqb h TYR 362 N -0.14 0.52 0.00 0.41 0.05 -0.83 0.12 116.97 117.09 3gqb h TYR 362 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3gqb h TYR 362 Cb 0.02 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.60 3gqb h TYR 362 CO -0.01 0.21 0.00 0.39 -1.05 0.00 0.00 178.16 177.70 3gqb n GLU 363 N -4.48 0.17 0.04 4.88 -0.58 0.15 -1.86 120.64 118.96 3gqb n GLU 363 Ca 0.14 0.21 0.06 0.00 -0.42 0.00 0.00 57.16 57.15 3gqb n GLU 363 Cb 0.48 -1.73 0.28 0.00 -0.57 0.00 0.00 31.44 29.90 3gqb n GLU 363 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3gqb n ARG 364 N -2.04 0.05 -1.01 3.49 1.74 0.41 -4.72 116.66 114.59 3gqb n ARG 364 Ca 0.05 0.39 -0.29 0.00 -0.77 0.00 0.00 57.85 57.24 3gqb n ARG 364 Cb 0.35 -1.61 0.19 0.00 -1.02 0.00 0.00 32.46 30.36 3gqb n ARG 364 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqb s ALA 365 N -3.11 0.74 0.00 7.54 0.00 -0.78 -4.94 121.76 121.21 3gqb s ALA 365 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3gqb s ALA 365 Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3gqb s ALA 365 CO 0.20 -2.98 0.00 0.41 0.00 0.00 0.00 175.76 173.39 3gqb n GLY 366 N -0.59 4.35 3.83 0.00 0.00 -0.76 -4.97 105.19 107.04 3gqb n GLY 366 Ca 0.05 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3gqb n GLY 366 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqb s LYS 367 N -3.33 3.76 0.05 1.61 2.20 -1.26 -1.07 119.74 121.70 3gqb s LYS 367 Ca 0.00 -0.00 -0.07 0.00 -0.36 0.00 0.00 55.97 55.54 3gqb s LYS 367 Cb 0.00 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 3gqb s LYS 367 CO 0.00 0.61 0.14 0.14 -0.36 0.00 0.00 175.35 175.88 3gqb s VAL 368 N -0.62 0.13 -0.34 4.02 -7.23 -0.07 0.84 120.40 117.13 3gqb s VAL 368 Ca 0.16 -1.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.04 3gqb s VAL 368 Cb -0.13 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 3gqb s VAL 368 CO 0.05 -0.61 0.55 -0.51 -0.31 0.00 0.00 175.10 174.27 3gqb s ILE 369 N -2.96 4.99 1.22 -0.62 2.07 -0.42 -1.46 121.20 124.02 3gqb s ILE 369 Ca -0.02 0.49 -0.14 0.00 -1.41 0.00 0.00 60.65 59.57 3gqb s ILE 369 Cb 0.01 -3.97 0.30 0.00 0.13 0.00 0.00 42.46 38.92 3gqb s ILE 369 CO -0.06 -0.20 0.90 0.35 -1.91 0.00 0.00 174.94 174.03 3gqb n THR 370 N 5.43 0.00 0.24 4.00 -2.24 -0.35 -1.54 114.28 119.82 3gqb n THR 370 Ca -0.04 -0.44 0.16 0.00 -2.27 0.00 0.00 64.05 61.46 3gqb n THR 370 Cb 0.49 -0.96 0.86 0.00 -2.10 0.00 0.00 70.33 68.62 3gqb n THR 370 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gqb h LEU 371 N -2.80 0.00 -0.08 3.22 3.38 -1.87 -2.08 115.31 115.09 3gqb h LEU 371 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3gqb h LEU 371 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3gqb h LEU 371 CO 0.47 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.50 3gqb n GLY 372 N -1.37 -1.23 0.90 0.83 0.00 -1.24 -4.63 105.19 98.44 3gqb n GLY 372 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3gqb n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 373 N 1.38 3.05 3.36 -0.02 0.00 -0.78 -4.90 105.19 107.27 3gqb n GLY 373 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3gqb n GLY 373 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqb n GLU 374 N -0.63 -3.39 -4.76 1.61 -0.58 -1.26 -4.63 120.64 106.99 3gqb n GLU 374 Ca 0.00 -0.98 -0.33 0.00 -0.42 0.00 0.00 57.16 55.43 3gqb n GLU 374 Cb 0.00 -2.04 -0.12 0.00 -0.57 0.00 0.00 31.44 28.71 3gqb n GLU 374 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3gqb s GLU 375 N -4.55 2.62 0.33 3.49 2.12 -1.26 -1.21 118.70 120.25 3gqb s GLU 375 Ca 0.67 -0.62 -0.07 0.00 0.36 0.00 0.00 54.97 55.31 3gqb s GLU 375 Cb -0.20 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.71 3gqb s GLU 375 CO 0.62 0.64 0.53 0.20 -0.54 0.00 0.00 175.26 176.72 3gqb s GLY 376 N -0.77 1.11 0.17 -1.50 0.00 -0.54 -4.18 107.32 101.61 3gqb s GLY 376 Ca 0.12 -1.26 -0.15 0.00 0.00 0.00 0.00 44.72 43.43 3gqb s GLY 376 CO 0.01 -0.81 0.43 0.00 0.00 0.00 0.00 173.10 172.73 3gqb s ALA 377 N -3.10 -0.65 -0.20 3.20 0.00 -0.88 -0.90 121.76 119.24 3gqb s ALA 377 Ca 0.26 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 3gqb s ALA 377 Cb -0.01 0.82 0.06 0.00 0.00 0.00 0.00 23.12 23.99 3gqb s ALA 377 CO 0.17 -0.73 0.00 0.08 0.00 0.00 0.00 175.76 175.28 3gqb s VAL 378 N -3.89 0.82 -0.19 0.00 1.01 -0.24 -1.65 120.40 116.26 3gqb s VAL 378 Ca 0.11 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3gqb s VAL 378 Cb 0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 3gqb s VAL 378 CO -0.03 -0.13 0.19 -0.89 0.00 0.00 0.00 175.10 174.23 3gqb s THR 379 N 1.73 5.37 -0.15 3.92 2.01 -0.87 -1.83 115.64 125.82 3gqb s THR 379 Ca -0.02 0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 3gqb s THR 379 Cb -0.17 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3gqb s THR 379 CO -0.07 0.41 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.60 3gqb s ILE 380 N 0.46 3.90 -0.54 1.82 1.01 -0.67 -1.97 121.20 125.21 3gqb s ILE 380 Ca 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 3gqb s ILE 380 Cb -0.12 -2.70 0.14 0.00 0.01 0.00 0.00 42.46 39.79 3gqb s ILE 380 CO 0.00 0.50 0.32 -0.69 0.00 0.00 0.00 174.94 175.08 3gqb s VAL 381 N 0.24 3.20 0.38 2.92 1.01 -0.48 -1.33 120.40 126.34 3gqb s VAL 381 Ca -0.03 -2.87 -0.19 0.00 0.00 0.00 0.00 61.98 58.90 3gqb s VAL 381 Cb -0.14 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 3gqb s VAL 381 CO 0.03 -0.80 0.86 -0.83 0.00 0.00 0.00 175.10 174.36 3gqb s GLY 382 N 0.60 2.37 -0.11 4.51 0.00 0.10 -3.57 107.32 111.23 3gqb s GLY 382 Ca 0.15 0.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.09 3gqb s GLY 382 CO -0.03 0.50 0.02 0.00 0.00 0.00 0.00 173.10 173.60 3gqb s ALA 383 N -2.09 3.35 -0.28 3.20 0.00 -0.60 -0.27 121.76 125.07 3gqb s ALA 383 Ca 0.58 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3gqb s ALA 383 Cb -0.10 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 3gqb s ALA 383 CO 0.15 0.50 0.09 0.08 0.00 0.00 0.00 175.76 176.58 3gqb s VAL 384 N -0.61 4.20 -0.62 0.00 1.01 0.32 -1.18 120.40 123.52 3gqb s VAL 384 Ca 0.10 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3gqb s VAL 384 Cb -0.12 -3.10 0.17 0.00 0.00 0.00 0.00 36.38 33.34 3gqb s VAL 384 CO 0.02 0.16 0.46 -1.20 0.00 0.00 0.00 175.10 174.54 3gqb n SER 385 N 4.91 1.99 -4.14 3.32 7.64 -1.26 -3.45 113.62 122.63 3gqb n SER 385 Ca -0.15 -2.97 -0.38 0.00 1.01 0.00 0.00 58.87 56.38 3gqb n SER 385 Cb 0.49 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 3gqb n SER 385 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3gqb s PRO 386 N -1.04 2.64 0.42 1.43 0.04 -1.26 -4.85 135.00 132.37 3gqb s PRO 386 Ca 0.28 -2.37 0.26 0.00 0.04 0.00 0.00 61.00 59.20 3gqb s PRO 386 Cb -0.01 -3.83 0.88 0.00 0.04 0.00 0.00 34.50 31.58 3gqb s PRO 386 CO -0.18 -1.18 0.99 -2.30 0.04 0.00 0.00 177.00 174.38 3gqb n PRO 387 N 3.81 0.01 0.30 0.56 -0.02 -1.26 0.20 135.00 138.60 3gqb n PRO 387 Ca 0.06 0.74 0.19 0.00 -2.02 0.00 0.00 63.50 62.47 3gqb n PRO 387 Cb 0.40 -1.79 0.99 0.00 -0.02 0.00 0.00 33.50 33.08 3gqb n PRO 387 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gqb h GLY 388 N 0.00 0.00 -5.77 -1.23 0.00 -2.03 -3.46 103.07 90.59 3gqb h GLY 388 Ca 0.48 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.44 3gqb h GLY 388 CO -0.01 0.00 -0.74 0.61 0.00 0.00 0.00 176.54 176.40 3gqb n GLY 389 N -1.22 -0.43 3.07 4.60 0.00 0.54 -5.00 105.19 106.76 3gqb n GLY 389 Ca -0.02 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3gqb n GLY 389 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gqb s ASP 390 N -3.95 4.67 0.00 1.61 -4.77 -1.25 -4.96 116.67 108.02 3gqb s ASP 390 Ca 0.24 -1.66 0.04 0.00 -3.30 0.00 0.00 52.55 47.86 3gqb s ASP 390 Cb -0.10 -1.62 0.21 0.00 -1.09 0.00 0.00 42.92 40.32 3gqb s ASP 390 CO 0.74 -0.28 0.57 0.23 0.70 0.00 0.00 175.17 177.12 3gqb n MET 391 N 4.41 0.29 -0.04 2.11 2.81 -1.26 -3.17 117.12 122.28 3gqb n MET 391 Ca -0.08 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.69 3gqb n MET 391 Cb 0.42 -1.19 -0.14 0.00 -0.71 0.00 0.00 33.22 31.60 3gqb n MET 391 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3gqb n SER 392 N -0.69 1.09 -0.41 7.83 3.41 -1.26 -4.31 113.62 119.28 3gqb n SER 392 Ca 0.03 0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.82 3gqb n SER 392 Cb 0.01 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3gqb n SER 392 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gqb n GLU 393 N -3.11 0.00 0.12 4.33 2.13 -1.19 -4.68 120.64 118.24 3gqb n GLU 393 Ca -0.26 0.00 0.19 0.00 0.66 0.00 0.00 57.16 57.75 3gqb n GLU 393 Cb 1.07 -0.14 0.68 0.00 0.27 0.00 0.00 31.44 33.32 3gqb n GLU 393 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3gqb h PRO 394 N 0.62 0.00 0.66 5.31 0.11 -1.91 0.48 132.00 137.27 3gqb h PRO 394 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3gqb h PRO 394 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3gqb h PRO 394 CO 0.09 0.00 -0.42 0.28 -0.21 0.00 0.00 178.00 177.75 3gqb h VAL 395 N 0.00 0.16 -0.21 3.15 2.07 -1.96 -1.91 116.25 117.54 3gqb h VAL 395 Ca 0.18 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 3gqb h VAL 395 Cb 1.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3gqb h VAL 395 CO -0.00 0.00 0.07 0.74 0.02 0.00 0.00 177.57 178.40 3gqb h THR 396 N -1.02 0.94 -0.38 2.57 2.02 -1.22 -1.89 112.91 113.94 3gqb h THR 396 Ca -0.08 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3gqb h THR 396 Cb 0.82 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3gqb h THR 396 CO 0.08 0.03 -0.45 1.56 0.37 0.00 0.00 175.52 177.11 3gqb h GLN 397 N 0.17 -0.27 0.66 6.66 4.20 -1.48 -0.32 115.11 124.72 3gqb h GLN 397 Ca 0.09 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3gqb h GLN 397 Cb 0.07 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3gqb h GLN 397 CO -0.10 -0.18 -0.49 0.77 -0.67 0.00 0.00 178.83 178.16 3gqb h SER 398 N -0.28 -1.28 -0.74 1.46 0.02 -1.14 0.45 113.55 112.04 3gqb h SER 398 Ca 0.07 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 3gqb h SER 398 Cb 0.46 0.40 -0.11 0.00 0.14 0.00 0.00 62.40 63.29 3gqb h SER 398 CO -0.50 -0.70 -0.35 0.41 -1.14 0.00 0.00 176.83 174.54 3gqb n THR 399 N -5.48 -0.44 0.50 -2.27 -1.04 -0.73 -0.91 114.28 103.91 3gqb n THR 399 Ca -0.13 1.75 0.13 0.00 -2.04 0.00 0.00 64.05 63.76 3gqb n THR 399 Cb 0.48 -2.25 0.43 0.00 -1.82 0.00 0.00 70.33 67.17 3gqb n THR 399 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3gqb h LEU 400 N 0.00 0.00 0.00 -4.42 3.38 -0.45 0.36 115.31 114.18 3gqb h LEU 400 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3gqb h LEU 400 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3gqb h LEU 400 CO -0.72 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 176.67 3gqb n ARG 401 N -2.36 0.27 0.00 1.13 0.00 0.15 -4.36 116.66 111.50 3gqb n ARG 401 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 3gqb n ARG 401 Cb 0.36 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.32 3gqb n ARG 401 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3gqb n ILE 402 N -1.36 0.00 -1.50 5.15 5.41 -0.66 -5.07 119.36 121.33 3gqb n ILE 402 Ca 0.11 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.53 3gqb n ILE 402 Cb 0.27 -0.79 0.08 0.00 -0.71 0.00 0.00 39.64 38.49 3gqb n ILE 402 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3gqb s VAL 403 N -1.85 2.65 -2.39 1.39 -7.23 0.12 -4.94 120.40 108.16 3gqb s VAL 403 Ca 0.00 0.30 0.26 0.00 -1.81 0.00 0.00 61.98 60.73 3gqb s VAL 403 Cb 0.00 -2.82 0.54 0.00 0.56 0.00 0.00 36.38 34.65 3gqb s VAL 403 CO 0.00 -0.19 1.70 0.61 -0.31 0.00 0.00 175.10 176.91 3gqb n GLY 404 N 0.01 0.03 3.48 2.32 0.00 -0.99 -4.90 105.19 105.15 3gqb n GLY 404 Ca 0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3gqb n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb s ALA 405 N -1.93 -1.77 -0.05 4.61 0.00 -1.21 0.14 121.76 121.55 3gqb s ALA 405 Ca 0.36 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.23 3gqb s ALA 405 Cb 0.20 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3gqb s ALA 405 CO 0.31 -0.70 -0.07 0.12 0.00 0.00 0.00 175.76 175.42 3gqb s PHE 406 N -3.24 0.99 -0.63 0.00 5.36 -0.88 -2.60 117.98 116.98 3gqb s PHE 406 Ca 0.04 -0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.59 3gqb s PHE 406 Cb -0.01 -0.81 0.16 0.00 -0.34 0.00 0.00 43.02 42.02 3gqb s PHE 406 CO -0.10 -0.23 0.50 -1.58 -1.46 0.00 0.00 175.22 172.35 3gqb s TRP 407 N 0.91 3.51 -0.67 10.12 0.51 0.50 -1.99 118.94 131.83 3gqb s TRP 407 Ca -0.11 -2.17 -0.27 0.00 -2.12 0.00 0.00 56.10 51.43 3gqb s TRP 407 Cb -0.15 -3.50 0.02 0.00 -0.81 0.00 0.00 33.47 29.04 3gqb s TRP 407 CO 0.01 -0.94 1.33 0.50 -0.51 0.00 0.00 176.95 177.33 3gqb s ARG 408 N 0.56 3.23 0.62 4.98 6.06 -1.26 -3.99 118.95 129.15 3gqb s ARG 408 Ca 0.13 0.02 -0.10 0.00 -2.50 0.00 0.00 55.73 53.28 3gqb s ARG 408 Cb -0.20 -4.15 -0.03 0.00 0.06 0.00 0.00 34.95 30.63 3gqb s ARG 408 CO -0.04 -2.07 1.01 -0.51 -2.50 0.00 0.00 175.30 171.19 3gqb s LEU 409 N 5.88 3.22 -0.30 -0.88 1.43 -1.26 0.55 118.68 127.32 3gqb s LEU 409 Ca 0.42 1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.74 3gqb s LEU 409 Cb -0.09 -4.28 0.15 0.00 0.03 0.00 0.00 46.19 42.00 3gqb s LEU 409 CO 0.19 -0.93 0.67 -0.62 0.23 0.00 0.00 176.35 175.90 3gqb s ASP 410 N -4.21 -1.16 0.27 2.29 -1.08 -0.44 -4.81 116.67 107.53 3gqb s ASP 410 Ca 0.55 1.24 0.25 0.00 -0.52 0.00 0.00 52.55 54.06 3gqb s ASP 410 Cb -0.11 2.18 0.93 0.00 -1.46 0.00 0.00 42.92 44.46 3gqb s ASP 410 CO 0.52 -0.22 1.75 0.00 0.52 0.00 0.00 175.17 177.74 3gqb h ALA 411 N 7.96 1.00 -0.23 3.66 0.00 -1.86 -2.62 119.26 127.17 3gqb h ALA 411 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3gqb h ALA 411 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gqb h ALA 411 CO 0.15 0.00 -0.19 1.03 0.00 0.00 0.00 179.25 180.23 3gqb h SER 412 N 0.00 0.58 -0.43 0.00 0.87 -1.92 -1.11 113.55 111.54 3gqb h SER 412 Ca 0.00 -0.46 -0.15 0.00 -1.23 0.00 0.00 61.79 59.95 3gqb h SER 412 Cb 0.52 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3gqb h SER 412 CO 0.00 0.91 -0.32 0.25 -0.53 0.00 0.00 176.83 177.14 3gqb h LEU 413 N 0.25 1.02 -0.32 2.23 5.85 -1.80 -2.76 115.31 119.78 3gqb h LEU 413 Ca 0.04 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.38 3gqb h LEU 413 Cb 0.73 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3gqb h LEU 413 CO 0.05 1.24 0.00 0.00 -0.34 0.00 0.00 178.44 179.39 3gqb h ALA 414 N 0.81 0.29 -0.74 1.25 0.00 -1.43 -1.81 119.26 117.62 3gqb h ALA 414 Ca 0.08 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3gqb h ALA 414 Cb 0.91 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3gqb h ALA 414 CO 0.08 -0.40 0.33 0.35 0.00 0.00 0.00 179.25 179.61 3gqb h PHE 415 N 0.09 0.57 0.00 0.00 3.57 -0.94 0.55 116.94 120.78 3gqb h PHE 415 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3gqb h PHE 415 Cb 0.21 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3gqb h PHE 415 CO -0.23 0.13 0.00 0.54 -2.23 0.00 0.00 178.31 176.52 3gqb n ARG 416 N -4.94 0.12 -0.81 1.11 1.74 -0.82 -4.85 116.66 108.20 3gqb n ARG 416 Ca 0.13 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 3gqb n ARG 416 Cb 0.36 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3gqb n ARG 416 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gqb n ARG 417 N -2.02 0.00 -3.17 5.56 1.74 0.19 -5.05 116.66 113.91 3gqb n ARG 417 Ca 0.01 0.35 -0.40 0.00 -0.77 0.00 0.00 57.85 57.03 3gqb n ARG 417 Cb 0.11 -3.13 -0.07 0.00 -1.02 0.00 0.00 32.46 28.35 3gqb n ARG 417 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3gqb s HIS 418 N -2.00 3.32 -0.01 -1.55 2.46 -0.75 -5.00 115.29 111.77 3gqb s HIS 418 Ca 0.00 0.80 0.02 0.00 0.47 0.00 0.00 55.06 56.34 3gqb s HIS 418 Cb 0.00 -2.77 -0.00 0.00 -0.13 0.00 0.00 32.58 29.68 3gqb s HIS 418 CO 0.00 -0.23 -0.05 -0.06 -2.47 0.00 0.00 174.74 171.93 3gqb s PHE 419 N 2.13 0.50 0.24 3.88 0.40 -1.26 -3.39 117.98 120.49 3gqb s PHE 419 Ca 0.25 -0.10 -0.25 0.00 -0.60 0.00 0.00 56.93 56.24 3gqb s PHE 419 Cb -0.16 -0.34 -0.09 0.00 0.51 0.00 0.00 43.02 42.95 3gqb s PHE 419 CO 0.09 -0.02 0.85 -1.25 0.70 0.00 0.00 175.22 175.59 3gqb s PRO 420 N -0.04 4.55 -0.09 0.24 0.04 -1.26 -1.69 135.00 136.73 3gqb s PRO 420 Ca 0.01 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 3gqb s PRO 420 Cb -0.03 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 3gqb s PRO 420 CO -0.00 0.42 1.53 0.00 0.04 0.00 0.00 177.00 179.00 3gqb n ALA 421 N 1.02 2.81 -2.54 8.56 0.00 -1.22 -4.85 120.51 124.29 3gqb n ALA 421 Ca -0.02 -0.69 -0.38 0.00 0.00 0.00 0.00 53.44 52.35 3gqb n ALA 421 Cb 0.49 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 3gqb n ALA 421 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3gqb s ILE 422 N 2.66 5.07 -0.32 0.00 2.07 -1.26 -1.32 121.20 128.09 3gqb s ILE 422 Ca 0.22 0.83 -0.19 0.00 -1.41 0.00 0.00 60.65 60.10 3gqb s ILE 422 Cb 0.10 -3.72 -0.01 0.00 0.13 0.00 0.00 42.46 38.96 3gqb s ILE 422 CO -0.00 0.54 0.54 0.21 -1.91 0.00 0.00 174.94 174.32 3gqb s ASN 423 N -0.78 6.38 0.37 4.50 3.84 0.19 -4.97 114.94 124.47 3gqb s ASN 423 Ca 0.23 0.18 0.10 0.00 0.21 0.00 0.00 52.86 53.59 3gqb s ASN 423 Cb -0.16 -2.28 0.73 0.00 -0.55 0.00 0.00 41.25 38.99 3gqb s ASN 423 CO 0.12 -0.45 1.87 4.11 -2.79 0.00 0.00 177.10 179.97 3gqb h TRP 424 N 8.32 0.18 -0.09 0.43 0.09 -1.90 -0.87 115.95 122.11 3gqb h TRP 424 Ca -0.28 -0.03 -0.23 0.00 0.09 0.00 0.00 58.89 58.44 3gqb h TRP 424 Cb 1.13 -0.05 0.01 0.00 0.08 0.00 0.00 29.16 30.33 3gqb h TRP 424 CO 0.74 0.40 -0.86 -0.91 0.09 0.00 0.00 178.44 177.89 3gqb h ASN 425 N 0.16 0.87 0.43 0.11 4.21 -1.98 -3.35 115.58 116.03 3gqb h ASN 425 Ca 0.03 -0.62 -0.29 0.00 1.21 0.00 0.00 56.30 56.63 3gqb h ASN 425 Cb 0.50 -0.26 0.02 0.00 -1.12 0.00 0.00 38.32 37.46 3gqb h ASN 425 CO 0.03 1.41 -1.26 1.23 -1.29 0.00 0.00 177.43 177.55 3gqb h GLY 426 N 0.62 0.47 -1.25 2.83 0.00 -1.92 -3.46 103.07 100.36 3gqb h GLY 426 Ca -0.07 -1.09 -0.49 0.00 0.00 0.00 0.00 47.33 45.67 3gqb h GLY 426 CO 0.17 0.96 0.35 -0.56 0.00 0.00 0.00 176.54 177.46 3gqb s SER 427 N -7.29 5.66 0.32 0.19 0.01 -0.34 -4.84 113.70 107.41 3gqb s SER 427 Ca -0.06 1.09 -0.16 0.00 1.31 0.00 0.00 55.95 58.12 3gqb s SER 427 Cb 0.06 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 64.32 3gqb s SER 427 CO 0.90 -1.16 0.69 -0.72 0.41 0.00 0.00 173.24 173.36 3gqb s TYR 428 N -3.22 0.12 -0.00 2.43 1.13 -0.84 -4.89 117.35 112.07 3gqb s TYR 428 Ca 0.56 -0.63 0.00 0.00 -1.41 0.00 0.00 57.07 55.60 3gqb s TYR 428 Cb -0.11 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 3gqb s TYR 428 CO 0.50 -1.32 -0.00 0.45 -2.51 0.00 0.00 175.55 172.67 3gqb s SER 429 N -3.02 0.07 -0.01 -0.18 0.15 -1.26 -2.07 113.70 107.38 3gqb s SER 429 Ca 0.16 -0.01 0.19 0.00 0.70 0.00 0.00 55.95 56.99 3gqb s SER 429 Cb -0.04 -0.01 -0.22 0.00 -1.71 0.00 0.00 66.02 64.03 3gqb s SER 429 CO 0.10 0.00 0.73 0.18 1.20 0.00 0.00 173.24 175.45 3gqb n LEU 430 N 3.12 0.72 0.03 3.45 4.77 0.38 -4.46 117.00 125.01 3gqb n LEU 430 Ca -0.13 -0.40 0.01 0.00 -0.03 0.00 0.00 56.01 55.46 3gqb n LEU 430 Cb 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 3gqb n LEU 430 CO 0.26 0.18 -0.36 0.49 -1.33 0.00 0.00 177.39 176.63 3gqb n PHE 431 N -1.59 0.84 -0.31 -1.77 3.01 -1.24 -4.47 117.46 111.92 3gqb n PHE 431 Ca 0.02 0.27 0.16 0.00 1.01 0.00 0.00 57.45 58.92 3gqb n PHE 431 Cb 0.33 -1.03 0.32 0.00 -0.01 0.00 0.00 39.48 39.09 3gqb n PHE 431 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3gqb n THR 432 N -2.81 -0.39 -0.20 4.37 -2.24 -1.26 -1.87 114.28 109.88 3gqb n THR 432 Ca -0.10 2.00 -0.05 0.00 -2.27 0.00 0.00 64.05 63.63 3gqb n THR 432 Cb 0.81 -2.97 0.04 0.00 -2.10 0.00 0.00 70.33 66.11 3gqb n THR 432 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3gqb h SER 433 N 0.00 0.63 0.16 3.42 0.87 -1.92 -3.03 113.55 113.68 3gqb h SER 433 Ca 0.60 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 3gqb h SER 433 Cb 1.30 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3gqb h SER 433 CO -0.84 0.45 -0.15 0.00 -0.53 0.00 0.00 176.83 175.76 3gqb n ALA 434 N -2.27 2.87 0.99 6.23 0.00 -0.78 -3.51 120.51 124.03 3gqb n ALA 434 Ca 0.05 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.20 3gqb n ALA 434 Cb 0.05 -1.17 0.18 0.00 0.00 0.00 0.00 19.45 18.51 3gqb n ALA 434 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gqb n LEU 435 N -0.41 0.59 -0.04 0.00 4.77 -1.15 -4.43 117.00 116.33 3gqb n LEU 435 Ca 0.15 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3gqb n LEU 435 Cb 0.34 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3gqb n LEU 435 CO 0.22 0.14 0.94 0.44 -1.33 0.00 0.00 177.39 177.81 3gqb h ASP 436 N 0.00 0.23 -0.44 -1.43 5.19 -1.59 0.39 116.42 118.78 3gqb h ASP 436 Ca 0.00 -0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 3gqb h ASP 436 Cb 0.51 -0.06 -0.10 0.00 0.18 0.00 0.00 39.33 39.86 3gqb h ASP 436 CO 0.00 0.19 -0.33 -0.65 -3.12 0.00 0.00 179.24 175.33 3gqb h PRO 437 N 0.26 -0.23 -0.79 3.56 0.11 -1.83 0.26 132.00 133.34 3gqb h PRO 437 Ca 0.07 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.31 3gqb h PRO 437 Cb -0.00 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.08 3gqb h PRO 437 CO -0.01 -0.15 0.42 2.35 -0.21 0.00 0.00 178.00 180.39 3gqb h TRP 438 N -0.23 0.74 0.85 0.65 7.01 -1.74 -0.87 115.95 122.36 3gqb h TRP 438 Ca 0.18 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 3gqb h TRP 438 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 3gqb h TRP 438 CO -0.56 0.25 -0.47 1.88 -2.79 0.00 0.00 178.44 176.75 3gqb h TYR 439 N 0.67 -1.24 -0.74 2.65 0.99 0.50 0.46 116.97 120.27 3gqb h TYR 439 Ca 0.40 -0.02 0.16 0.00 2.00 0.00 0.00 58.73 61.27 3gqb h TYR 439 Cb 0.46 0.43 -0.05 0.00 1.00 0.00 0.00 36.73 38.57 3gqb h TYR 439 CO -0.09 -0.72 0.50 0.00 -0.00 0.00 0.00 178.16 177.84 3gqb h ARG 440 N -1.22 0.34 0.00 4.88 3.08 -0.28 0.23 114.38 121.40 3gqb h ARG 440 Ca -0.11 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 3gqb h ARG 440 Cb 0.96 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3gqb h ARG 440 CO 0.15 0.22 -0.76 0.93 -1.07 0.00 0.00 179.97 179.44 3gqb h GLU 441 N 0.35 0.00 0.00 0.04 3.07 -0.64 -3.12 114.58 114.27 3gqb h GLU 441 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3gqb h GLU 441 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3gqb h GLU 441 CO -0.10 0.68 -0.10 0.09 -1.40 0.00 0.00 179.01 178.18 3gqb n ASN 442 N -3.25 0.51 0.00 1.42 3.02 0.16 -4.82 115.26 112.29 3gqb n ASN 442 Ca 0.00 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3gqb n ASN 442 Cb 0.83 0.82 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 3gqb n ASN 442 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3gqb n VAL 443 N -0.87 0.00 0.00 2.41 0.31 0.63 -4.97 118.33 115.85 3gqb n VAL 443 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gqb n VAL 443 Cb 0.00 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3gqb n VAL 443 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqb n ALA 444 N -2.79 0.00 -0.34 3.52 0.00 -1.07 -4.90 120.51 114.94 3gqb n ALA 444 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 3gqb n ALA 444 Cb 0.41 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.37 3gqb n ALA 444 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gqb h GLU 445 N 0.00 0.36 -1.95 0.00 4.57 -1.81 -1.74 114.58 114.01 3gqb h GLU 445 Ca 0.00 -0.02 -0.71 0.00 -1.18 0.00 0.00 59.36 57.45 3gqb h GLU 445 Cb 0.00 -0.08 -0.33 0.00 -0.16 0.00 0.00 28.75 28.18 3gqb h GLU 445 CO 0.00 0.24 0.40 -0.40 -1.18 0.00 0.00 179.01 178.07 3gqb n ASP 446 N -4.68 6.43 0.03 1.04 5.75 -1.26 -4.68 116.55 119.18 3gqb n ASP 446 Ca 0.27 -3.76 -0.02 0.00 -0.01 0.00 0.00 54.79 51.27 3gqb n ASP 446 Cb 0.94 -0.87 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 3gqb n ASP 446 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3gqb h TYR 447 N 3.11 -0.14 -0.61 2.11 3.20 -1.64 -3.29 116.97 119.72 3gqb h TYR 447 Ca 0.44 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.43 3gqb h TYR 447 Cb 0.37 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 38.56 3gqb h TYR 447 CO 1.08 -0.09 -0.21 -1.35 -1.64 0.00 0.00 178.16 175.95 3gqb h PRO 448 N -0.64 -0.06 -0.26 1.82 0.11 -1.86 -1.13 132.00 129.98 3gqb h PRO 448 Ca -0.02 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.16 3gqb h PRO 448 Cb 0.12 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.16 3gqb h PRO 448 CO 0.03 -0.04 -0.28 1.05 -0.21 0.00 0.00 178.00 178.54 3gqb h GLU 449 N -0.06 -0.27 -0.65 1.05 9.09 -1.93 0.94 114.58 122.74 3gqb h GLU 449 Ca 0.28 0.02 0.04 0.00 0.05 0.00 0.00 59.36 59.75 3gqb h GLU 449 Cb 0.50 0.06 -0.05 0.00 -1.65 0.00 0.00 28.75 27.61 3gqb h GLU 449 CO -0.65 -0.18 0.38 -0.07 0.05 0.00 0.00 179.01 178.54 3gqb h LEU 450 N -0.28 0.60 -0.78 3.06 3.38 -1.32 0.77 115.31 120.73 3gqb h LEU 450 Ca 0.14 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3gqb h LEU 450 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3gqb h LEU 450 CO -0.42 0.41 -0.59 0.08 0.09 0.00 0.00 178.44 178.00 3gqb h ARG 451 N 0.73 0.00 -0.44 1.13 0.11 -0.89 -2.52 114.38 112.50 3gqb h ARG 451 Ca 0.27 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.21 3gqb h ARG 451 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 3gqb h ARG 451 CO -0.14 0.59 -0.28 -0.44 0.10 0.00 0.00 179.97 179.80 3gqb h ASP 452 N 0.00 1.00 0.28 0.08 5.19 0.22 -1.77 116.42 121.42 3gqb h ASP 452 Ca -0.01 -0.43 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 3gqb h ASP 452 Cb 1.08 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 3gqb h ASP 452 CO 0.08 1.21 -0.12 0.00 -3.12 0.00 0.00 179.24 177.29 3gqb h ALA 453 N 0.82 1.40 0.02 3.45 0.00 0.66 -0.78 119.26 124.83 3gqb h ALA 453 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3gqb h ALA 453 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3gqb h ALA 453 CO 0.08 0.15 -0.34 0.82 0.00 0.00 0.00 179.25 179.96 3gqb h ILE 454 N 0.00 1.60 0.00 0.00 1.08 -1.16 -2.31 117.51 116.73 3gqb h ILE 454 Ca -0.00 -2.35 -0.02 0.00 -0.39 0.00 0.00 64.86 62.11 3gqb h ILE 454 Cb 0.29 3.17 -0.00 0.00 -3.07 0.00 0.00 36.82 37.21 3gqb h ILE 454 CO 0.02 0.58 -0.07 0.77 -0.69 0.00 0.00 178.15 178.75 3gqb h SER 455 N -0.90 0.00 -0.16 1.72 4.64 -1.27 -1.06 113.55 116.51 3gqb h SER 455 Ca -0.08 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 3gqb h SER 455 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3gqb h SER 455 CO -0.01 0.07 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.15 3gqb h GLU 456 N 0.00 0.65 -0.15 4.77 4.39 -1.17 -1.91 114.58 121.17 3gqb h GLU 456 Ca -0.00 -0.49 -0.08 0.00 0.34 0.00 0.00 59.36 59.13 3gqb h GLU 456 Cb 0.24 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3gqb h GLU 456 CO 0.01 1.11 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.63 3gqb h LEU 457 N 0.33 0.26 0.31 1.33 3.38 -1.06 -2.83 115.31 117.03 3gqb h LEU 457 Ca -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3gqb h LEU 457 Cb 1.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gqb h LEU 457 CO 0.12 0.53 -0.15 -0.07 0.09 0.00 0.00 178.44 178.96 3gqb h LEU 458 N 0.24 -0.36 -0.47 1.67 3.38 -1.09 0.29 115.31 118.97 3gqb h LEU 458 Ca 0.04 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3gqb h LEU 458 Cb 0.60 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 3gqb h LEU 458 CO 0.04 -0.11 -0.39 1.56 0.09 0.00 0.00 178.44 179.64 3gqb h GLN 459 N -0.60 -0.25 -0.77 1.13 4.20 -1.38 0.33 115.11 117.77 3gqb h GLN 459 Ca -0.04 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.69 3gqb h GLN 459 Cb 0.43 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 3gqb h GLN 459 CO 0.07 -0.17 0.51 -0.09 -0.67 0.00 0.00 178.83 178.48 3gqb h ARG 460 N -0.26 1.01 -0.35 1.46 2.43 -1.38 0.28 114.38 117.58 3gqb h ARG 460 Ca 0.17 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3gqb h ARG 460 Cb 0.56 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3gqb h ARG 460 CO -0.60 0.67 0.06 1.49 -1.51 0.00 0.00 179.97 180.08 3gqb h GLU 461 N 1.04 0.17 -0.90 0.20 4.81 0.17 -2.14 114.58 117.92 3gqb h GLU 461 Ca 0.28 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 3gqb h GLU 461 Cb -0.12 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 3gqb h GLU 461 CO -0.06 0.11 0.59 0.00 -0.73 0.00 0.00 179.01 178.92 3gqb h ALA 462 N 1.27 1.45 -0.42 2.92 0.00 0.15 -2.06 119.26 122.57 3gqb h ALA 462 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gqb h ALA 462 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gqb h ALA 462 CO -0.23 0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3gqb n GLY 463 N -1.40 2.33 0.41 0.00 0.00 0.81 -4.00 105.19 103.35 3gqb n GLY 463 Ca 0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 3gqb n GLY 463 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gqb n LEU 464 N 0.53 1.74 0.00 0.99 4.77 -0.81 -4.20 117.00 120.02 3gqb n LEU 464 Ca 0.19 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3gqb n LEU 464 Cb 0.83 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3gqb n LEU 464 CO 0.21 0.36 0.44 0.00 -1.33 0.00 0.00 177.39 177.07 3gqb n GLN 465 N -2.95 0.00 0.00 3.23 1.13 -1.03 0.22 117.38 117.97 3gqb n GLN 465 Ca -0.11 0.32 -0.21 0.00 -1.94 0.00 0.00 57.00 55.07 3gqb n GLN 465 Cb 0.59 -1.58 -0.14 0.00 0.11 0.00 0.00 30.24 29.22 3gqb n GLN 465 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3gqb n GLU 466 N -1.30 0.75 -0.25 -1.09 -0.58 -1.26 -2.54 120.64 114.38 3gqb n GLU 466 Ca 0.00 0.26 0.10 0.00 -0.42 0.00 0.00 57.16 57.10 3gqb n GLU 466 Cb 0.08 -1.71 0.27 0.00 -0.57 0.00 0.00 31.44 29.51 3gqb n GLU 466 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3gqb n ILE 467 N -3.46 0.65 -0.04 -3.67 5.41 -0.04 -2.81 119.36 115.41 3gqb n ILE 467 Ca -0.32 -0.73 -0.04 0.00 1.00 0.00 0.00 62.75 62.66 3gqb n ILE 467 Cb 1.05 0.55 -0.14 0.00 -0.71 0.00 0.00 39.64 40.39 3gqb n ILE 467 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3gqb n VAL 468 N 1.20 1.21 0.04 1.39 0.31 0.13 -4.02 118.33 118.60 3gqb n VAL 468 Ca 0.19 -0.76 0.02 0.00 -0.01 0.00 0.00 64.34 63.78 3gqb n VAL 468 Cb 0.51 -0.60 0.36 0.00 -0.91 0.00 0.00 33.84 33.20 3gqb n VAL 468 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3gqb h GLN 469 N 0.00 0.43 -0.00 5.55 4.15 -1.32 -1.84 115.11 122.08 3gqb h GLN 469 Ca -0.32 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.02 3gqb h GLN 469 Cb 1.87 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.49 3gqb h GLN 469 CO 0.04 0.44 -0.00 1.28 -1.93 0.00 0.00 178.83 178.66 3gqb n LEU 470 N -4.33 0.88 -0.21 -2.39 4.77 -1.22 -4.71 117.00 109.79 3gqb n LEU 470 Ca 0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3gqb n LEU 470 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3gqb n LEU 470 CO 0.38 0.22 0.24 0.55 -1.33 0.00 0.00 177.39 177.45 3gqb n VAL 471 N -0.12 0.00 -1.18 4.08 3.14 -1.24 -5.12 118.33 117.89 3gqb n VAL 471 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 3gqb n VAL 471 Cb 0.00 0.75 -0.04 0.00 -1.06 0.00 0.00 33.84 33.49 3gqb n VAL 471 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gqb n GLY 472 N 0.00 -3.50 0.00 7.55 0.00 -0.69 -4.19 105.19 104.36 3gqb n GLY 472 Ca 0.00 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 45.05 3gqb n GLY 472 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqb n PRO 473 N -3.19 0.15 -0.00 1.61 -0.04 -1.26 -3.05 135.00 129.23 3gqb n PRO 473 Ca -0.04 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 3gqb n PRO 473 Cb 0.47 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 3gqb n PRO 473 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3gqb h ASP 474 N 0.00 0.59 0.00 3.54 5.19 -1.96 -3.09 116.42 120.69 3gqb h ASP 474 Ca 0.00 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3gqb h ASP 474 Cb 0.20 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3gqb h ASP 474 CO 0.00 0.94 0.00 0.00 -3.12 0.00 0.00 179.24 177.06 3gqb n ALA 475 N -2.50 2.37 -2.60 3.45 0.00 -1.17 -4.80 120.51 115.26 3gqb n ALA 475 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 3gqb n ALA 475 Cb 0.53 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 3gqb n ALA 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gqb s LEU 476 N -0.19 4.06 1.00 0.00 1.43 -1.17 -5.08 118.68 118.73 3gqb s LEU 476 Ca 0.00 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 3gqb s LEU 476 Cb 0.00 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.98 3gqb s LEU 476 CO 0.00 -0.16 0.58 1.67 0.23 0.00 0.00 176.35 178.67 3gqb n GLN 477 N 5.27 -0.80 -0.07 1.70 0.00 -1.26 -4.82 117.38 117.39 3gqb n GLN 477 Ca -0.10 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.00 56.64 3gqb n GLN 477 Cb 0.51 -1.99 -0.00 0.00 0.00 0.00 0.00 30.24 28.75 3gqb n GLN 477 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 3gqb h ASP 478 N -1.86 -0.01 0.00 1.69 3.32 -1.99 -1.99 116.42 115.57 3gqb h ASP 478 Ca -0.47 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3gqb h ASP 478 Cb 1.30 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3gqb h ASP 478 CO 0.38 0.03 0.09 0.00 -1.72 0.00 0.00 179.24 178.02 3gqb n ALA 479 N -2.36 0.87 -0.07 3.45 0.00 -1.26 -1.96 120.51 119.18 3gqb n ALA 479 Ca -0.00 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 3gqb n ALA 479 Cb 0.13 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 3gqb n ALA 479 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gqb h GLU 480 N 0.00 0.00 -0.50 0.00 4.39 -1.69 -2.31 114.58 114.47 3gqb h GLU 480 Ca 0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 3gqb h GLU 480 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3gqb h GLU 480 CO 0.00 0.65 0.52 0.00 -1.16 0.00 0.00 179.01 179.02 3gqb h ARG 481 N -1.00 0.00 0.10 2.33 3.08 -1.45 -0.05 114.38 117.39 3gqb h ARG 481 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3gqb h ARG 481 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3gqb h ARG 481 CO -0.02 0.00 -0.05 1.25 -1.07 0.00 0.00 179.97 180.08 3gqb h LEU 482 N 0.00 -0.12 -0.85 3.04 5.85 -1.61 -2.96 115.31 118.67 3gqb h LEU 482 Ca 0.24 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.93 3gqb h LEU 482 Cb 1.27 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 3gqb h LEU 482 CO -0.00 0.44 -0.37 0.58 -0.34 0.00 0.00 178.44 178.74 3gqb h VAL 483 N -1.01 0.06 -0.90 1.05 2.07 -0.65 0.49 116.25 117.36 3gqb h VAL 483 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3gqb h VAL 483 Cb 0.27 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 3gqb h VAL 483 CO 0.02 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.57 3gqb h ILE 484 N -0.06 1.00 0.00 4.57 2.04 -1.22 -1.02 117.51 122.81 3gqb h ILE 484 Ca 0.30 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3gqb h ILE 484 Cb 0.58 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3gqb h ILE 484 CO -0.88 0.18 0.00 -0.33 0.00 0.00 0.00 178.15 177.12 3gqb h GLU 485 N 0.97 0.00 0.03 2.37 4.39 0.08 0.35 114.58 122.77 3gqb h GLU 485 Ca 0.41 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.76 3gqb h GLU 485 Cb 0.27 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 3gqb h GLU 485 CO -0.21 0.00 -2.16 0.28 -1.16 0.00 0.00 179.01 175.77 3gqb n VAL 486 N -2.85 1.55 -0.22 3.13 0.31 -0.20 -2.48 118.33 117.58 3gqb n VAL 486 Ca 0.03 -0.73 0.02 0.00 -0.01 0.00 0.00 64.34 63.65 3gqb n VAL 486 Cb 0.42 -1.11 0.12 0.00 -0.91 0.00 0.00 33.84 32.37 3gqb n VAL 486 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3gqb h GLY 487 N 2.79 0.73 0.58 2.92 0.00 -1.07 0.62 103.07 109.63 3gqb h GLY 487 Ca -0.46 0.08 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3gqb h GLY 487 CO 0.03 -0.22 -0.30 -0.09 0.00 0.00 0.00 176.54 175.95 3gqb h ARG 488 N 0.13 -0.56 -0.89 4.80 2.43 -1.04 -1.17 114.38 118.08 3gqb h ARG 488 Ca 0.35 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.70 3gqb h ARG 488 Cb 0.59 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 3gqb h ARG 488 CO -0.56 -0.37 0.50 0.82 -1.51 0.00 0.00 179.97 178.85 3gqb h ILE 489 N -0.58 0.80 -0.40 1.20 1.08 -0.66 0.36 117.51 119.31 3gqb h ILE 489 Ca 0.01 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 3gqb h ILE 489 Cb 0.57 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 3gqb h ILE 489 CO -0.11 0.14 -0.06 0.40 -0.69 0.00 0.00 178.15 177.82 3gqb h ILE 490 N 0.75 1.27 0.58 -0.67 2.04 0.27 0.18 117.51 121.93 3gqb h ILE 490 Ca 0.47 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3gqb h ILE 490 Cb 0.59 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3gqb h ILE 490 CO -0.32 0.38 -0.45 0.03 0.00 0.00 0.00 178.15 177.78 3gqb h ARG 491 N 0.56 -0.96 0.00 2.37 3.08 0.24 0.57 114.38 120.24 3gqb h ARG 491 Ca 0.11 0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 3gqb h ARG 491 Cb 0.57 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3gqb h ARG 491 CO 0.03 -0.64 -0.66 0.93 -1.07 0.00 0.00 179.97 178.56 3gqb h GLU 492 N -1.00 0.00 -0.01 0.04 5.08 -1.01 -2.20 114.58 115.48 3gqb h GLU 492 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3gqb h GLU 492 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3gqb h GLU 492 CO 0.02 0.66 -0.03 -0.25 -1.00 0.00 0.00 179.01 178.41 3gqb n ASP 493 N -3.75 1.63 0.00 1.42 8.00 0.63 -4.51 116.55 119.96 3gqb n ASP 493 Ca -0.01 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3gqb n ASP 493 Cb 0.65 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 3gqb n ASP 493 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gqb n PHE 494 N 0.36 0.00 0.04 1.24 7.35 0.17 -4.79 117.46 121.83 3gqb n PHE 494 Ca 0.05 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.69 3gqb n PHE 494 Cb 0.21 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.94 3gqb n PHE 494 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3gqb h LEU 495 N 0.00 0.00 -9.19 -2.13 3.38 -0.62 -3.42 115.31 103.32 3gqb h LEU 495 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3gqb h LEU 495 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3gqb h LEU 495 CO 0.00 0.85 0.59 -1.10 0.09 0.00 0.00 178.44 178.87 3gqb s GLN 496 N -2.74 4.36 -0.19 1.13 -0.21 -0.84 -4.36 119.66 116.80 3gqb s GLN 496 Ca -0.01 1.30 -0.01 0.00 0.02 0.00 0.00 55.36 56.66 3gqb s GLN 496 Cb 0.09 -3.57 0.05 0.00 1.00 0.00 0.00 33.01 30.57 3gqb s GLN 496 CO 0.81 -0.39 -0.03 -1.14 -2.12 0.00 0.00 175.29 172.41 3gqb s GLN 497 N 2.33 1.30 -0.14 2.91 0.74 -0.68 -4.83 119.66 121.29 3gqb s GLN 497 Ca 0.45 -0.61 -0.29 0.00 0.05 0.00 0.00 55.36 54.96 3gqb s GLN 497 Cb -0.17 -2.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.75 3gqb s GLN 497 CO 0.14 -0.52 1.42 1.21 -0.55 0.00 0.00 175.29 176.99 3gqb s ASN 498 N 1.63 6.80 0.07 6.67 3.84 -1.26 -4.29 114.94 128.40 3gqb s ASN 498 Ca -0.01 1.85 0.07 0.00 0.21 0.00 0.00 52.86 54.97 3gqb s ASN 498 Cb -0.16 -2.54 -0.23 0.00 -0.55 0.00 0.00 41.25 37.77 3gqb s ASN 498 CO -0.07 -0.87 1.10 0.00 -2.79 0.00 0.00 177.10 174.47 3gqb h ALA 499 N 8.87 0.42 -0.26 1.71 0.00 -1.89 -1.87 119.26 126.24 3gqb h ALA 499 Ca -0.31 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.55 3gqb h ALA 499 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gqb h ALA 499 CO 0.97 1.30 0.00 0.66 0.00 0.00 0.00 179.25 182.18 3gqb n TYR 500 N -3.30 0.35 -3.17 0.00 0.53 -1.26 -4.65 117.16 105.65 3gqb n TYR 500 Ca -0.06 -0.17 -0.38 0.00 -1.02 0.00 0.00 57.90 56.27 3gqb n TYR 500 Cb 0.98 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 39.23 3gqb n TYR 500 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 3gqb s HIS 501 N -1.65 3.79 0.28 -0.72 2.46 -1.20 -4.96 115.29 113.28 3gqb s HIS 501 Ca 0.26 1.38 0.29 0.00 0.47 0.00 0.00 55.06 57.46 3gqb s HIS 501 Cb 0.14 -2.58 1.34 0.00 -0.13 0.00 0.00 32.58 31.34 3gqb s HIS 501 CO 0.19 0.51 2.00 1.49 -2.47 0.00 0.00 174.74 176.46 3gqb h GLU 502 N 4.17 0.00 0.00 2.88 4.81 -1.90 -2.60 114.58 121.94 3gqb h GLU 502 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3gqb h GLU 502 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3gqb h GLU 502 CO 0.65 0.12 -0.23 0.28 -0.73 0.00 0.00 179.01 179.10 3gqb n VAL 503 N -3.40 0.65 0.13 0.32 0.31 -1.26 -4.71 118.33 110.37 3gqb n VAL 503 Ca -0.01 0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.65 3gqb n VAL 503 Cb 0.30 -1.58 0.36 0.00 -0.91 0.00 0.00 33.84 32.01 3gqb n VAL 503 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gqb n ASP 504 N -3.19 0.34 -0.25 4.52 2.03 -1.19 -1.45 116.55 117.36 3gqb n ASP 504 Ca -0.03 0.58 0.31 0.00 0.52 0.00 0.00 54.79 56.17 3gqb n ASP 504 Cb 0.12 -0.57 0.72 0.00 -0.72 0.00 0.00 41.12 40.67 3gqb n ASP 504 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gqb h ALA 505 N 1.46 2.93 -3.57 -1.67 0.00 -0.92 -3.38 119.26 114.11 3gqb h ALA 505 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 3gqb h ALA 505 Cb 0.38 0.07 -0.25 0.00 0.00 0.00 0.00 17.79 17.99 3gqb h ALA 505 CO 0.00 -1.23 -0.74 -0.47 0.00 0.00 0.00 179.25 176.81 3gqb s TYR 506 N -5.00 0.48 -0.06 0.00 5.04 -0.53 -4.81 117.35 112.47 3gqb s TYR 506 Ca -0.05 -0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 3gqb s TYR 506 Cb 0.22 -0.30 0.04 0.00 0.35 0.00 0.00 41.96 42.27 3gqb s TYR 506 CO 0.79 -0.05 0.15 0.45 -1.34 0.00 0.00 175.55 175.55 3gqb s SER 507 N -0.71 -0.11 0.58 4.32 0.15 -0.81 -4.95 113.70 112.16 3gqb s SER 507 Ca -0.04 0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.93 3gqb s SER 507 Cb -0.05 0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 3gqb s SER 507 CO -0.00 -0.14 0.81 -0.94 1.20 0.00 0.00 173.24 174.17 3gqb s SER 508 N 1.08 5.12 0.30 5.45 1.04 -1.26 -4.56 113.70 120.86 3gqb s SER 508 Ca -0.08 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3gqb s SER 508 Cb -0.11 -0.69 0.51 0.00 0.10 0.00 0.00 66.02 65.83 3gqb s SER 508 CO -0.05 -1.27 1.91 0.24 0.98 0.00 0.00 173.24 175.05 3gqb h MET 509 N -0.02 1.03 -0.11 4.02 2.86 -1.98 0.27 114.93 120.99 3gqb h MET 509 Ca -0.41 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3gqb h MET 509 Cb 1.29 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3gqb h MET 509 CO 0.50 0.68 0.07 -0.22 1.06 0.00 0.00 176.91 178.99 3gqb h LYS 510 N 1.06 0.13 -0.41 1.72 3.64 -1.93 0.53 116.57 121.31 3gqb h LYS 510 Ca 0.39 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.61 3gqb h LYS 510 Cb 0.17 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3gqb h LYS 510 CO -0.14 0.09 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.58 3gqb h LYS 511 N 0.14 0.93 0.00 1.90 3.64 -1.87 -1.82 116.57 119.49 3gqb h LYS 511 Ca 0.04 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 3gqb h LYS 511 Cb -0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3gqb h LYS 511 CO -0.01 1.11 -0.22 0.00 -2.27 0.00 0.00 179.45 178.06 3gqb h ALA 512 N 0.84 1.46 -0.33 5.00 0.00 -0.58 -0.37 119.26 125.28 3gqb h ALA 512 Ca 0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3gqb h ALA 512 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3gqb h ALA 512 CO 0.08 0.27 -0.48 -0.92 0.00 0.00 0.00 179.25 178.20 3gqb h TYR 513 N 0.00 1.11 0.13 0.00 3.20 0.52 -2.45 116.97 119.48 3gqb h TYR 513 Ca -0.00 -0.37 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 3gqb h TYR 513 Cb 0.43 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3gqb h TYR 513 CO 0.00 1.21 -0.06 0.78 -1.64 0.00 0.00 178.16 178.44 3gqb h GLY 514 N 0.70 -0.18 1.57 1.82 0.00 -0.56 0.12 103.07 106.53 3gqb h GLY 514 Ca 0.03 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3gqb h GLY 514 CO 0.11 -0.07 0.22 -2.22 0.00 0.00 0.00 176.54 174.58 3gqb h ILE 515 N -0.46 1.00 0.49 2.60 2.04 -1.17 -0.81 117.51 121.20 3gqb h ILE 515 Ca -0.02 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3gqb h ILE 515 Cb 0.37 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3gqb h ILE 515 CO 0.03 0.06 -0.24 -0.03 0.00 0.00 0.00 178.15 177.97 3gqb h MET 516 N 0.30 -0.64 -0.91 2.37 4.05 -1.34 -3.13 114.93 115.64 3gqb h MET 516 Ca 0.13 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.73 3gqb h MET 516 Cb 0.16 0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 31.02 3gqb h MET 516 CO -0.03 -0.36 0.53 -0.22 0.23 0.00 0.00 176.91 177.06 3gqb h LYS 517 N -1.09 0.77 -0.49 0.39 3.64 -0.46 -0.97 116.57 118.35 3gqb h LYS 517 Ca -0.07 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3gqb h LYS 517 Cb 0.57 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3gqb h LYS 517 CO 0.11 0.51 0.32 0.52 -2.27 0.00 0.00 179.45 178.64 3gqb h MET 518 N 0.79 0.63 0.20 1.90 2.86 -1.29 0.12 114.93 120.14 3gqb h MET 518 Ca 0.47 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 58.09 3gqb h MET 518 Cb 0.57 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3gqb h MET 518 CO -0.31 0.42 -0.30 0.82 1.06 0.00 0.00 176.91 178.59 3gqb h ILE 519 N 0.65 0.36 -0.02 -1.22 2.04 -1.13 0.22 117.51 118.41 3gqb h ILE 519 Ca 0.18 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 3gqb h ILE 519 Cb -0.06 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3gqb h ILE 519 CO -0.05 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.69 3gqb h LEU 520 N -0.57 0.04 0.58 1.44 3.38 -1.30 0.52 115.31 119.39 3gqb h LEU 520 Ca 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3gqb h LEU 520 Cb 0.56 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3gqb h LEU 520 CO -0.12 0.38 -0.28 0.00 0.09 0.00 0.00 178.44 178.51 3gqb h ALA 521 N 1.62 -0.77 -0.62 1.53 0.00 -0.59 -0.79 119.26 119.64 3gqb h ALA 521 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 3gqb h ALA 521 Cb 0.63 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3gqb h ALA 521 CO 0.05 -0.83 0.13 0.35 0.00 0.00 0.00 179.25 178.94 3gqb h PHE 522 N -0.98 0.20 0.17 0.00 3.57 -0.68 -2.36 116.94 116.86 3gqb h PHE 522 Ca -0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3gqb h PHE 522 Cb 0.65 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3gqb h PHE 522 CO -0.00 -0.05 -0.41 -0.92 -2.23 0.00 0.00 178.31 174.70 3gqb h TYR 523 N 0.25 -1.18 0.00 0.41 3.20 0.12 -1.69 116.97 118.08 3gqb h TYR 523 Ca 0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.23 3gqb h TYR 523 Cb 0.51 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3gqb h TYR 523 CO -0.26 -0.48 0.00 1.63 -1.64 0.00 0.00 178.16 177.41 3gqb n LYS 524 N -4.82 0.08 0.04 1.82 5.02 -0.31 -0.56 118.16 119.44 3gqb n LYS 524 Ca -0.07 0.37 -0.00 0.00 -2.02 0.00 0.00 58.31 56.58 3gqb n LYS 524 Cb 0.33 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 3gqb n LYS 524 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gqb h GLU 525 N 0.00 0.00 0.06 1.97 4.39 -1.14 -2.96 114.58 116.89 3gqb h GLU 525 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 3gqb h GLU 525 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3gqb h GLU 525 CO 0.00 0.34 -1.06 0.00 -1.16 0.00 0.00 179.01 177.13 3gqb h ALA 526 N 1.41 0.29 -0.85 3.43 0.00 -0.22 -2.77 119.26 120.55 3gqb h ALA 526 Ca -0.14 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 53.93 3gqb h ALA 526 Cb 1.58 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3gqb h ALA 526 CO 0.05 0.97 0.44 1.49 0.00 0.00 0.00 179.25 182.20 3gqb h GLU 527 N 0.10 1.20 -0.00 0.00 4.81 -0.87 -0.84 114.58 118.98 3gqb h GLU 527 Ca -0.08 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3gqb h GLU 527 Cb 1.75 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.91 3gqb h GLU 527 CO 0.17 0.90 -0.19 0.00 -0.73 0.00 0.00 179.01 179.16 3gqb n ALA 528 N -2.40 2.87 -0.07 2.92 0.00 -1.12 -3.63 120.51 119.08 3gqb n ALA 528 Ca 0.09 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 3gqb n ALA 528 Cb 0.11 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 3gqb n ALA 528 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqb h ALA 529 N 3.28 0.23 -0.32 0.00 0.00 -0.90 -3.32 119.26 118.24 3gqb h ALA 529 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 54.91 53.73 3gqb h ALA 529 Cb 0.44 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3gqb h ALA 529 CO 0.00 0.68 -0.06 -0.84 0.00 0.00 0.00 179.25 179.03 3gqb h ILE 530 N -0.80 1.22 0.00 0.00 -0.00 -1.42 -1.66 117.51 114.85 3gqb h ILE 530 Ca -0.30 -0.92 0.00 0.00 -0.00 0.00 0.00 64.86 63.64 3gqb h ILE 530 Cb 1.40 1.04 0.00 0.00 -0.00 0.00 0.00 36.82 39.26 3gqb h ILE 530 CO -0.12 0.31 0.00 1.17 -0.00 0.00 0.00 178.15 179.51 3gqb n LYS 531 N -4.24 0.01 -0.07 0.16 4.81 -1.24 -2.22 118.16 115.37 3gqb n LYS 531 Ca 0.01 0.33 0.03 0.00 -0.87 0.00 0.00 58.31 57.81 3gqb n LYS 531 Cb 0.29 -1.51 0.07 0.00 0.02 0.00 0.00 35.03 33.89 3gqb n LYS 531 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3gqb n ARG 532 N -1.52 2.05 -1.13 1.64 0.63 -0.70 -4.98 116.66 112.65 3gqb n ARG 532 Ca 0.02 -1.54 0.00 0.00 -0.92 0.00 0.00 57.85 55.42 3gqb n ARG 532 Cb 0.12 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 31.89 3gqb n ARG 532 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gqb n GLY 533 N 0.14 0.73 3.86 5.14 0.00 -0.94 -5.06 105.19 109.06 3gqb n GLY 533 Ca 0.06 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3gqb n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqb s VAL 534 N -2.00 5.24 -0.01 1.61 1.01 -0.76 -5.02 120.40 120.48 3gqb s VAL 534 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 3gqb s VAL 534 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 3gqb s VAL 534 CO 0.00 0.53 1.79 -0.55 0.00 0.00 0.00 175.10 176.87 3gqb s SER 535 N -1.22 6.57 0.54 3.32 0.15 -1.26 -4.31 113.70 117.49 3gqb s SER 535 Ca 0.22 2.44 0.22 0.00 0.70 0.00 0.00 55.95 59.53 3gqb s SER 535 Cb -0.14 -2.53 1.41 0.00 -1.71 0.00 0.00 66.02 63.05 3gqb s SER 535 CO 0.11 -0.98 2.11 0.40 1.20 0.00 0.00 173.24 176.08 3gqb h ILE 536 N 5.55 0.80 0.04 6.45 2.04 -1.96 0.33 117.51 130.76 3gqb h ILE 536 Ca -0.44 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.20 3gqb h ILE 536 Cb 1.20 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3gqb h ILE 536 CO 0.95 0.00 -1.01 0.44 0.00 0.00 0.00 178.15 178.52 3gqb h ASP 537 N 0.00 0.30 -0.35 1.72 3.32 -1.96 0.89 116.42 120.34 3gqb h ASP 537 Ca 0.09 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 3gqb h ASP 537 Cb 0.37 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3gqb h ASP 537 CO -0.00 1.14 -0.38 -0.08 -1.72 0.00 0.00 179.24 178.19 3gqb h GLU 538 N 0.09 0.87 -0.28 3.56 4.81 -1.49 -2.41 114.58 119.74 3gqb h GLU 538 Ca -0.07 -0.48 0.06 0.00 -0.13 0.00 0.00 59.36 58.74 3gqb h GLU 538 Cb 1.69 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.04 3gqb h GLU 538 CO 0.16 1.12 -0.10 0.82 -0.73 0.00 0.00 179.01 180.28 3gqb h ILE 539 N 0.67 0.66 0.00 2.32 2.04 -0.31 -1.86 117.51 121.04 3gqb h ILE 539 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3gqb h ILE 539 Cb 0.98 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3gqb h ILE 539 CO 0.09 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.42 3gqb n LEU 540 N -5.27 0.00 -0.00 1.44 4.77 0.30 -2.02 117.00 116.21 3gqb n LEU 540 Ca -0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 3gqb n LEU 540 Cb 0.19 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3gqb n LEU 540 CO 0.19 0.00 -0.20 0.00 -1.33 0.00 0.00 177.39 176.05 3gqb n GLN 541 N -0.86 0.95 -1.68 3.23 6.02 -0.70 -5.00 117.38 119.33 3gqb n GLN 541 Ca 0.09 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 3gqb n GLN 541 Cb 0.04 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 3gqb n GLN 541 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3gqb n LEU 542 N -1.59 3.95 0.00 1.08 4.77 -0.86 -4.87 117.00 119.48 3gqb n LEU 542 Ca 0.02 0.98 0.04 0.00 -0.03 0.00 0.00 56.01 57.02 3gqb n LEU 542 Cb 0.33 -1.52 0.25 0.00 -2.33 0.00 0.00 43.42 40.15 3gqb n LEU 542 CO 0.37 0.13 0.50 -2.65 -1.33 0.00 0.00 177.39 174.41 3gqb n PRO 543 N 5.85 0.24 -0.11 3.23 -0.02 -1.26 -1.86 135.00 141.08 3gqb n PRO 543 Ca 0.19 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 3gqb n PRO 543 Cb 0.36 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.63 3gqb n PRO 543 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3gqb n VAL 544 N -1.06 0.28 0.21 -1.45 3.14 -1.26 -3.53 118.33 114.65 3gqb n VAL 544 Ca 0.06 -0.52 0.06 0.00 -2.96 0.00 0.00 64.34 60.99 3gqb n VAL 544 Cb 0.04 0.78 0.48 0.00 -1.06 0.00 0.00 33.84 34.07 3gqb n VAL 544 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3gqb h LEU 545 N 3.47 0.00 0.00 6.55 3.38 -1.75 -3.10 115.31 123.86 3gqb h LEU 545 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gqb h LEU 545 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3gqb h LEU 545 CO 0.00 0.28 -0.38 -0.08 0.09 0.00 0.00 178.44 178.35 3gqb h GLU 546 N 0.00 0.00 -0.22 1.13 4.57 -1.79 0.15 114.58 118.41 3gqb h GLU 546 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 3gqb h GLU 546 Cb 0.59 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3gqb h GLU 546 CO 0.04 0.08 -0.54 -0.09 -1.18 0.00 0.00 179.01 177.32 3gqb h ARG 547 N 0.00 0.64 0.54 1.92 9.65 -1.71 0.65 114.38 126.06 3gqb h ARG 547 Ca -0.01 -0.40 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 3gqb h ARG 547 Cb 1.08 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.71 3gqb h ARG 547 CO 0.01 1.01 -0.26 0.82 2.80 0.00 0.00 179.97 184.35 3gqb h ILE 548 N 0.49 0.00 -0.98 1.20 2.04 -1.52 -3.18 117.51 115.56 3gqb h ILE 548 Ca 0.01 -0.26 0.16 0.00 1.00 0.00 0.00 64.86 65.77 3gqb h ILE 548 Cb 1.09 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.01 3gqb h ILE 548 CO 0.11 0.00 -0.35 0.61 0.00 0.00 0.00 178.15 178.51 3gqb n GLY 549 N -0.42 -1.94 1.99 5.37 0.00 0.50 -0.72 105.19 109.98 3gqb n GLY 549 Ca -0.09 1.09 -0.20 0.00 0.00 0.00 0.00 46.02 46.82 3gqb n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqb n ARG 550 N -5.48 2.02 -0.07 1.61 5.12 0.21 -4.39 116.66 115.67 3gqb n ARG 550 Ca 0.11 -2.41 -0.13 0.00 -1.93 0.00 0.00 57.85 53.50 3gqb n ARG 550 Cb 0.42 -1.94 -0.10 0.00 -1.16 0.00 0.00 32.46 29.67 3gqb n ARG 550 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gqb h ALA 551 N 1.24 0.06 0.00 7.54 0.00 -0.90 -3.34 119.26 123.87 3gqb h ALA 551 Ca 0.51 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gqb h ALA 551 Cb 2.39 0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.36 3gqb h ALA 551 CO 0.91 0.18 0.23 2.89 0.00 0.00 0.00 179.25 183.45 3gqb n ARG 552 N -4.60 0.10 -0.09 0.00 1.85 -1.26 -0.09 116.66 112.57 3gqb n ARG 552 Ca -0.13 0.58 0.12 0.00 -1.00 0.00 0.00 57.85 57.42 3gqb n ARG 552 Cb 0.43 -2.05 0.19 0.00 -1.05 0.00 0.00 32.46 29.98 3gqb n ARG 552 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3gqb n TYR 553 N -2.07 0.24 -3.50 2.89 0.53 -1.25 -3.15 117.16 110.84 3gqb n TYR 553 Ca -0.01 -0.12 -0.38 0.00 -1.02 0.00 0.00 57.90 56.38 3gqb n TYR 553 Cb 0.25 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.47 3gqb n TYR 553 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gqb s VAL 554 N -1.76 5.26 0.00 -0.72 1.01 0.88 -4.79 120.40 120.28 3gqb s VAL 554 Ca 0.34 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 3gqb s VAL 554 Cb 0.21 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3gqb s VAL 554 CO 0.31 0.27 0.00 -0.24 0.00 0.00 0.00 175.10 175.44 3gqb n SER 555 N 4.58 -0.00 0.06 3.32 2.88 -1.26 -4.71 113.62 118.48 3gqb n SER 555 Ca -0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.41 3gqb n SER 555 Cb 0.51 -0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.21 3gqb n SER 555 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3gqb h GLU 556 N 0.00 0.37 0.02 -1.46 4.57 -1.96 -2.83 114.58 113.29 3gqb h GLU 556 Ca -0.00 -0.14 -0.22 0.00 -1.18 0.00 0.00 59.36 57.82 3gqb h GLU 556 Cb 0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3gqb h GLU 556 CO 0.00 0.63 -0.96 0.93 -1.18 0.00 0.00 179.01 178.43 3gqb h GLU 557 N 0.32 0.31 -0.01 1.92 3.07 -2.05 -3.20 114.58 114.94 3gqb h GLU 557 Ca 0.05 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 3gqb h GLU 557 Cb 0.68 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3gqb h GLU 557 CO 0.05 1.06 0.00 0.39 -1.40 0.00 0.00 179.01 179.11 3gqb n GLU 558 N -3.68 1.33 0.05 2.33 1.02 -1.16 -4.29 120.64 116.23 3gqb n GLU 558 Ca -0.06 -0.48 -0.20 0.00 -0.02 0.00 0.00 57.16 56.40 3gqb n GLU 558 Cb 0.85 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.66 3gqb n GLU 558 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gqb h PHE 559 N 1.16 0.86 -0.92 -0.32 3.57 -1.49 -2.98 116.94 116.83 3gqb h PHE 559 Ca 0.00 -0.52 0.20 0.00 3.53 0.00 0.00 57.97 61.18 3gqb h PHE 559 Cb 0.25 -0.08 -0.11 0.00 2.79 0.00 0.00 35.95 38.80 3gqb h PHE 559 CO 0.00 1.36 0.47 -1.35 -2.23 0.00 0.00 178.31 176.56 3gqb h PRO 560 N 0.12 0.53 -0.04 6.41 0.11 -1.78 0.77 132.00 138.13 3gqb h PRO 560 Ca -0.14 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.71 3gqb h PRO 560 Cb 1.68 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.68 3gqb h PRO 560 CO 0.19 0.35 -0.89 0.00 -0.21 0.00 0.00 178.00 177.44 3gqb h ALA 561 N 1.66 0.37 -0.75 -0.75 0.00 -1.86 -1.73 119.26 116.19 3gqb h ALA 561 Ca 0.55 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gqb h ALA 561 Cb 0.94 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3gqb h ALA 561 CO -0.45 0.77 0.32 -0.92 0.00 0.00 0.00 179.25 178.97 3gqb h TYR 562 N 0.31 1.12 0.06 0.00 3.20 -0.97 -0.30 116.97 120.39 3gqb h TYR 562 Ca -0.07 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3gqb h TYR 562 Cb 1.52 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3gqb h TYR 562 CO 0.07 0.85 -0.03 0.35 -1.64 0.00 0.00 178.16 177.76 3gqb h PHE 563 N 1.08 -0.07 -0.77 -3.82 3.04 0.48 -1.84 116.94 115.03 3gqb h PHE 563 Ca 0.25 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.24 3gqb h PHE 563 Cb 0.18 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 3gqb h PHE 563 CO 0.02 0.21 0.49 1.49 -2.02 0.00 0.00 178.31 178.49 3gqb h GLU 564 N -0.35 0.91 -0.06 1.11 4.81 -1.15 0.95 114.58 120.80 3gqb h GLU 564 Ca -0.01 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 3gqb h GLU 564 Cb 0.31 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.50 3gqb h GLU 564 CO 0.01 0.60 -0.76 1.49 -0.73 0.00 0.00 179.01 179.63 3gqb h GLU 565 N 0.94 0.61 -0.43 1.92 4.81 -1.12 -2.93 114.58 118.38 3gqb h GLU 565 Ca 0.31 -0.58 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 3gqb h GLU 565 Cb 0.04 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3gqb h GLU 565 CO -0.12 1.20 -0.15 0.00 -0.73 0.00 0.00 179.01 179.20 3gqb h ALA 566 N 0.43 0.91 -0.68 2.92 0.00 -1.18 -0.80 119.26 120.86 3gqb h ALA 566 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gqb h ALA 566 Cb 1.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3gqb h ALA 566 CO 0.15 0.62 0.44 1.98 0.00 0.00 0.00 179.25 182.44 3gqb h MET 567 N 0.73 0.91 0.00 0.00 1.85 -0.88 -0.77 114.93 116.77 3gqb h MET 567 Ca 0.11 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.11 3gqb h MET 567 Cb 0.66 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.49 3gqb h MET 567 CO 0.05 0.61 -0.16 0.87 -0.40 0.00 0.00 176.91 177.89 3gqb h LYS 568 N 0.93 0.00 0.00 0.39 1.57 -1.20 -3.18 116.57 115.09 3gqb h LYS 568 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3gqb h LYS 568 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3gqb h LYS 568 CO -0.05 0.16 -0.82 1.49 -0.57 0.00 0.00 179.45 179.65 3gqb h GLU 569 N 0.00 0.00 -0.41 3.15 4.81 0.23 -3.15 114.58 119.20 3gqb h GLU 569 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3gqb h GLU 569 Cb 0.81 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3gqb h GLU 569 CO 0.02 0.02 -0.23 0.82 -0.73 0.00 0.00 179.01 178.91 3gqb h ILE 570 N 0.00 1.27 0.74 2.32 2.04 -1.26 -2.18 117.51 120.44 3gqb h ILE 570 Ca -0.01 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 3gqb h ILE 570 Cb 1.03 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3gqb h ILE 570 CO 0.00 0.46 -0.36 1.56 0.00 0.00 0.00 178.15 179.81 3gqb h GLN 571 N 0.72 -0.96 -0.82 2.37 1.08 -1.63 -2.91 115.11 112.97 3gqb h GLN 571 Ca 0.10 0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 3gqb h GLN 571 Cb 0.76 0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 28.37 3gqb h GLN 571 CO 0.06 -0.64 0.44 0.78 -0.95 0.00 0.00 178.83 178.52 3gqb h GLY 572 N -1.18 1.22 1.89 3.46 0.00 -1.60 0.56 103.07 107.42 3gqb h GLY 572 Ca -0.10 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 3gqb h GLY 572 CO 0.17 0.53 -0.55 0.00 0.00 0.00 0.00 176.54 176.69 3gqb h ALA 573 N 1.33 1.00 0.11 3.60 0.00 -1.52 -0.73 119.26 123.05 3gqb h ALA 573 Ca 0.29 -0.51 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 3gqb h ALA 573 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gqb h ALA 573 CO -0.04 0.69 -1.55 0.74 0.00 0.00 0.00 179.25 179.09 3gqb h PHE 574 N 0.09 0.40 -0.02 0.00 -1.00 -1.22 -3.22 116.94 111.98 3gqb h PHE 574 Ca -0.00 -0.30 -0.07 0.00 2.81 0.00 0.00 57.97 60.41 3gqb h PHE 574 Cb 1.01 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 3gqb h PHE 574 CO 0.01 1.36 -0.33 -0.22 -1.61 0.00 0.00 178.31 177.52 3gqb h LYS 575 N 0.06 0.03 -0.31 1.51 1.63 0.11 -2.77 116.57 116.83 3gqb h LYS 575 Ca -0.25 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.46 3gqb h LYS 575 Cb 2.01 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.62 3gqb h LYS 575 CO 0.15 0.36 -0.16 0.00 -3.45 0.00 0.00 179.45 176.35 3gqb h ALA 576 N 1.64 1.14 -0.55 5.00 0.00 -1.20 -3.34 119.26 121.95 3gqb h ALA 576 Ca 0.00 -0.30 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 3gqb h ALA 576 Cb 0.60 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3gqb h ALA 576 CO 0.04 0.54 2.50 1.28 0.00 0.00 0.00 179.25 183.61 3gqb n LEU 577 N -4.17 5.54 0.00 0.00 4.77 -1.04 -5.10 117.00 117.00 3gqb n LEU 577 Ca 0.00 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.02 3gqb n LEU 577 Cb 0.36 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 3gqb n LEU 577 CO 0.41 0.42 0.23 0.00 -1.33 0.00 0.00 177.39 177.13