#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqb n LYS 6 N 0.00 1.15 -5.18 -1.58 5.02 -1.26 -5.02 118.16 111.29 3gqb n LYS 6 Ca 0.00 0.42 -0.32 0.00 -2.02 0.00 0.00 58.31 56.39 3gqb n LYS 6 Cb 0.00 -1.95 -0.16 0.00 -0.02 0.00 0.00 35.03 32.89 3gqb n LYS 6 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gqb s GLU 7 N -2.02 2.78 -0.25 1.97 0.41 -1.26 -4.63 118.70 115.70 3gqb s GLU 7 Ca 0.65 -0.86 -0.08 0.00 -0.41 0.00 0.00 54.97 54.27 3gqb s GLU 7 Cb -0.55 -2.27 -0.03 0.00 -1.78 0.00 0.00 34.13 29.50 3gqb s GLU 7 CO 0.56 0.32 0.09 0.71 -0.49 0.00 0.00 175.26 176.45 3gqb s TYR 8 N -0.00 3.12 -0.67 1.61 1.51 0.97 -4.93 117.35 118.96 3gqb s TYR 8 Ca -0.08 -0.28 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 3gqb s TYR 8 Cb -0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 3gqb s TYR 8 CO 0.05 -0.28 0.51 0.25 -1.11 0.00 0.00 175.55 174.98 3gqb n THR 9 N 4.81 0.00 -1.28 -0.71 -2.24 -1.26 -0.71 114.28 112.88 3gqb n THR 9 Ca -0.16 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 60.87 3gqb n THR 9 Cb 0.52 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3gqb n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqb n GLY 10 N 0.97 4.20 3.68 3.38 0.00 -1.26 -4.89 105.19 111.27 3gqb n GLY 10 Ca 0.03 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 3gqb n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqb s ILE 11 N 2.23 4.52 -0.35 -0.61 1.01 -1.26 0.10 121.20 126.85 3gqb s ILE 11 Ca 0.68 1.82 0.12 0.00 0.00 0.00 0.00 60.65 63.27 3gqb s ILE 11 Cb 0.18 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 38.33 3gqb s ILE 11 CO -0.06 -0.03 0.40 0.35 0.00 0.00 0.00 174.94 175.61 3gqb n THR 12 N 4.72 0.00 -3.64 2.92 -2.24 -0.53 -4.82 114.28 110.69 3gqb n THR 12 Ca 0.10 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3gqb n THR 12 Cb 0.47 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.35 3gqb n THR 12 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gqb s TYR 13 N -2.36 -0.49 -0.04 4.78 5.04 -1.25 -5.01 117.35 118.02 3gqb s TYR 13 Ca 0.01 1.00 0.02 0.00 -2.44 0.00 0.00 57.07 55.66 3gqb s TYR 13 Cb 0.08 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.72 3gqb s TYR 13 CO 0.48 -0.24 -0.09 0.42 -1.34 0.00 0.00 175.55 174.78 3gqb s ILE 14 N 1.15 0.84 -0.28 3.14 1.01 -1.26 -0.68 121.20 125.12 3gqb s ILE 14 Ca -0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 3gqb s ILE 14 Cb -0.04 -0.78 0.09 0.00 0.01 0.00 0.00 42.46 41.74 3gqb s ILE 14 CO -0.13 0.28 0.72 -0.55 0.00 0.00 0.00 174.94 175.25 3gqb s SER 15 N 0.50 -0.91 1.89 3.58 0.15 -0.25 -5.03 113.70 113.63 3gqb s SER 15 Ca -0.09 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.02 3gqb s SER 15 Cb -0.12 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 3gqb s SER 15 CO 0.01 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3gqb n GLY 16 N 4.27 3.42 0.26 9.45 0.00 -1.26 -0.82 105.19 120.52 3gqb n GLY 16 Ca -0.20 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.84 3gqb n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqb n PRO 17 N 13.78 1.04 -3.66 1.61 -0.04 -1.26 -4.73 135.00 141.74 3gqb n PRO 17 Ca 0.00 -0.52 -0.37 0.00 -0.04 0.00 0.00 63.50 62.57 3gqb n PRO 17 Cb 0.00 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 3gqb n PRO 17 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gqb s LEU 18 N -2.32 4.31 0.06 1.53 1.43 0.00 -0.78 118.68 122.91 3gqb s LEU 18 Ca 0.31 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 54.01 3gqb s LEU 18 Cb 0.20 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3gqb s LEU 18 CO 0.45 0.23 -0.24 -1.48 0.23 0.00 0.00 176.35 175.54 3gqb s LEU 19 N -0.19 2.20 -0.15 1.79 0.05 0.56 -1.09 118.68 121.86 3gqb s LEU 19 Ca 0.16 -0.60 -0.02 0.00 0.05 0.00 0.00 54.13 53.71 3gqb s LEU 19 Cb -0.13 -1.13 -0.02 0.00 -2.05 0.00 0.00 46.19 42.86 3gqb s LEU 19 CO 0.04 0.19 -0.08 -0.36 -0.55 0.00 0.00 176.35 175.59 3gqb s PHE 20 N -0.88 2.92 -0.16 3.48 0.40 0.14 -0.16 117.98 123.72 3gqb s PHE 20 Ca 0.10 -0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 3gqb s PHE 20 Cb -0.10 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 3gqb s PHE 20 CO 0.03 -0.15 -0.03 0.08 0.70 0.00 0.00 175.22 175.85 3gqb s VAL 21 N 0.41 3.98 0.72 -0.44 1.01 -0.43 -1.45 120.40 124.20 3gqb s VAL 21 Ca -0.07 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3gqb s VAL 21 Cb -0.15 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.51 3gqb s VAL 21 CO 0.04 0.49 1.09 -1.61 0.00 0.00 0.00 175.10 175.11 3gqb s GLU 22 N 0.39 2.58 -1.35 2.72 2.02 0.29 -0.91 118.70 124.43 3gqb s GLU 22 Ca -0.03 0.27 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 3gqb s GLU 22 Cb -0.14 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.06 3gqb s GLU 22 CO 0.03 -1.16 0.44 0.09 0.02 0.00 0.00 175.26 174.67 3gqb n ASN 23 N -3.04 -1.70 -0.19 -0.19 3.02 -1.25 -4.60 115.26 107.31 3gqb n ASN 23 Ca 0.07 -1.13 0.04 0.00 -0.03 0.00 0.00 54.58 53.53 3gqb n ASN 23 Cb 0.58 -2.49 0.05 0.00 -0.61 0.00 0.00 39.78 37.32 3gqb n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqb n ALA 24 N -4.54 1.97 -0.30 5.41 0.00 -1.26 -4.82 120.51 116.97 3gqb n ALA 24 Ca -0.24 -1.56 0.24 0.00 0.00 0.00 0.00 53.44 51.89 3gqb n ALA 24 Cb 0.65 -0.31 0.38 0.00 0.00 0.00 0.00 19.45 20.16 3gqb n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gqb n LYS 25 N -0.63 0.00 0.00 0.00 5.02 -1.26 -0.04 118.16 121.25 3gqb n LYS 25 Ca 0.06 0.57 0.14 0.00 -2.02 0.00 0.00 58.31 57.06 3gqb n LYS 25 Cb 0.58 -1.35 0.48 0.00 -0.02 0.00 0.00 35.03 34.73 3gqb n LYS 25 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gqb n ASP 26 N -2.81 1.21 -4.69 4.39 5.68 -1.26 -4.77 116.55 114.30 3gqb n ASP 26 Ca 0.20 -1.19 -0.42 0.00 -0.50 0.00 0.00 54.79 52.89 3gqb n ASP 26 Cb 1.00 0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 41.00 3gqb n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3gqb s LEU 27 N -2.23 4.23 0.39 -2.12 1.43 0.94 -5.05 118.68 116.28 3gqb s LEU 27 Ca 0.32 1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 54.51 3gqb s LEU 27 Cb 0.20 -3.34 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 3gqb s LEU 27 CO 0.42 -0.36 1.00 0.00 0.23 0.00 0.00 176.35 177.64 3gqb s ALA 28 N 1.83 3.09 0.16 4.21 0.00 -1.26 -4.96 121.76 124.82 3gqb s ALA 28 Ca 0.42 0.60 -0.32 0.00 0.00 0.00 0.00 51.96 52.66 3gqb s ALA 28 Cb -0.18 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 3gqb s ALA 28 CO 0.16 -0.07 1.80 0.98 0.00 0.00 0.00 175.76 178.63 3gqb n TYR 29 N -0.10 2.68 -0.67 0.00 9.36 -1.26 -1.43 117.16 125.73 3gqb n TYR 29 Ca 0.05 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.19 3gqb n TYR 29 Cb 0.51 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.50 3gqb n TYR 29 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gqb n GLY 30 N 4.14 0.78 3.77 2.98 0.00 0.26 -4.99 105.19 112.13 3gqb n GLY 30 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb s ALA 31 N -2.91 3.41 0.06 4.61 0.00 -0.52 -4.52 121.76 121.89 3gqb s ALA 31 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 3gqb s ALA 31 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3gqb s ALA 31 CO 0.00 -0.90 0.97 0.42 0.00 0.00 0.00 175.76 176.25 3gqb s ILE 32 N -1.18 4.69 0.26 0.00 -1.09 0.45 -0.31 121.20 124.02 3gqb s ILE 32 Ca 0.54 2.07 0.07 0.00 -2.23 0.00 0.00 60.65 61.09 3gqb s ILE 32 Cb -0.42 -4.32 -0.06 0.00 -1.58 0.00 0.00 42.46 36.09 3gqb s ILE 32 CO 0.55 0.24 -0.07 0.68 -1.23 0.00 0.00 174.94 175.11 3gqb s VAL 33 N 0.50 1.65 0.06 2.92 -7.23 -0.41 -1.12 120.40 116.77 3gqb s VAL 33 Ca 0.49 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 3gqb s VAL 33 Cb -0.22 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3gqb s VAL 33 CO 0.29 -0.36 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.84 3gqb s ASP 34 N -3.41 4.57 -0.14 4.85 -0.00 0.49 -2.24 116.67 120.78 3gqb s ASP 34 Ca 0.28 -0.26 -0.03 0.00 -0.00 0.00 0.00 52.55 52.55 3gqb s ASP 34 Cb 0.03 -0.98 0.05 0.00 -0.00 0.00 0.00 42.92 42.01 3gqb s ASP 34 CO 0.11 0.22 0.04 -0.63 -0.00 0.00 0.00 175.17 174.91 3gqb s ILE 35 N -1.13 0.30 -0.10 0.77 1.01 0.25 -1.11 121.20 121.19 3gqb s ILE 35 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 3gqb s ILE 35 Cb -0.11 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3gqb s ILE 35 CO 0.12 -0.05 0.04 -1.59 0.00 0.00 0.00 174.94 173.45 3gqb s LYS 36 N 1.97 3.14 0.56 2.79 -2.85 -0.74 0.56 119.74 125.18 3gqb s LYS 36 Ca 0.02 -0.33 0.08 0.00 -1.00 0.00 0.00 55.97 54.74 3gqb s LYS 36 Cb -0.15 -2.91 0.08 0.00 -2.06 0.00 0.00 37.83 32.78 3gqb s LYS 36 CO -0.07 0.71 0.77 0.16 0.10 0.00 0.00 175.35 177.03 3gqb s ASP 37 N -0.89 5.13 0.14 0.03 3.84 -0.74 -2.37 116.67 121.81 3gqb s ASP 37 Ca 0.13 -0.70 -0.19 0.00 -0.00 0.00 0.00 52.55 51.79 3gqb s ASP 37 Cb -0.12 0.06 0.02 0.00 -1.38 0.00 0.00 42.92 41.50 3gqb s ASP 37 CO 0.03 -1.29 1.68 1.23 -0.00 0.00 0.00 175.17 176.82 3gqb h GLY 38 N 0.19 0.15 1.21 2.12 0.00 -1.84 -0.84 103.07 104.06 3gqb h GLY 38 Ca -0.33 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3gqb h GLY 38 CO 0.42 -0.12 0.32 -0.91 0.00 0.00 0.00 176.54 176.25 3gqb h THR 39 N -0.04 0.00 0.00 4.70 1.35 -1.93 -3.45 112.91 113.55 3gqb h THR 39 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 3gqb h THR 39 Cb 0.24 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 3gqb h THR 39 CO -0.29 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.59 3gqb n GLY 40 N -1.27 0.79 3.77 5.82 0.00 -0.32 -5.06 105.19 108.93 3gqb n GLY 40 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3gqb n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gqb s ARG 41 N -0.73 4.01 0.01 1.61 3.52 -1.26 -4.77 118.95 121.34 3gqb s ARG 41 Ca 0.00 2.19 0.05 0.00 -0.13 0.00 0.00 55.73 57.84 3gqb s ARG 41 Cb 0.00 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 3gqb s ARG 41 CO 0.00 -0.47 -0.14 0.08 -0.81 0.00 0.00 175.30 173.96 3gqb s VAL 42 N -1.24 3.08 0.01 7.11 1.01 -1.26 -1.79 120.40 127.31 3gqb s VAL 42 Ca 0.56 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3gqb s VAL 42 Cb -0.39 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3gqb s VAL 42 CO 0.50 0.41 -0.03 -0.13 0.00 0.00 0.00 175.10 175.86 3gqb s ARG 43 N -1.27 0.21 0.36 2.72 0.52 0.19 -4.92 118.95 116.77 3gqb s ARG 43 Ca 0.15 -0.22 -0.14 0.00 -0.52 0.00 0.00 55.73 55.00 3gqb s ARG 43 Cb -0.11 -0.12 -0.08 0.00 0.52 0.00 0.00 34.95 35.16 3gqb s ARG 43 CO 0.05 0.03 0.77 0.20 0.02 0.00 0.00 175.30 176.36 3gqb s GLY 44 N -0.42 2.19 0.31 -3.53 0.00 -1.26 0.84 107.32 105.44 3gqb s GLY 44 Ca -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 3gqb s GLY 44 CO -0.00 0.18 0.60 0.61 0.00 0.00 0.00 173.10 174.49 3gqb n GLY 45 N -0.75 1.33 2.97 0.20 0.00 -0.95 0.74 105.19 108.72 3gqb n GLY 45 Ca 0.03 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 3gqb n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gqb s GLN 46 N -2.14 0.11 -0.30 1.61 0.74 -0.63 -1.29 119.66 117.76 3gqb s GLN 46 Ca 0.14 0.17 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 3gqb s GLN 46 Cb -0.04 0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.10 3gqb s GLN 46 CO 0.10 -0.04 1.31 0.08 -0.55 0.00 0.00 175.29 176.19 3gqb s VAL 47 N 0.22 4.13 -1.26 1.34 1.01 0.58 -0.81 120.40 125.61 3gqb s VAL 47 Ca -0.01 1.27 0.13 0.00 0.00 0.00 0.00 61.98 63.37 3gqb s VAL 47 Cb -0.02 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3gqb s VAL 47 CO -0.01 -0.47 0.77 2.30 0.00 0.00 0.00 175.10 177.69 3gqb n ILE 48 N 6.22 0.00 -3.59 2.22 -5.35 -0.28 0.90 119.36 119.48 3gqb n ILE 48 Ca 0.15 -0.39 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 3gqb n ILE 48 Cb 0.47 1.17 -0.06 0.00 -1.74 0.00 0.00 39.64 39.48 3gqb n ILE 48 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3gqb s GLU 49 N -1.53 0.67 -0.14 6.28 2.12 -1.19 -4.91 118.70 120.01 3gqb s GLU 49 Ca 0.11 0.38 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 3gqb s GLU 49 Cb 0.10 0.32 0.05 0.00 0.26 0.00 0.00 34.13 34.86 3gqb s GLU 49 CO 0.30 -0.17 0.34 0.14 -0.54 0.00 0.00 175.26 175.34 3gqb s VAL 50 N -0.58 -0.02 0.16 3.70 -7.23 -1.26 -0.15 120.40 115.02 3gqb s VAL 50 Ca -0.02 0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 3gqb s VAL 50 Cb -0.02 -0.51 -0.00 0.00 0.56 0.00 0.00 36.38 36.41 3gqb s VAL 50 CO 0.01 0.03 0.19 -1.54 -0.31 0.00 0.00 175.10 173.48 3gqb n SER 51 N 3.75 -0.53 -0.22 4.85 3.41 -0.61 -5.00 113.62 119.27 3gqb n SER 51 Ca -0.20 -1.93 -0.08 0.00 -0.26 0.00 0.00 58.87 56.39 3gqb n SER 51 Cb 0.56 1.04 0.04 0.00 -0.26 0.00 0.00 64.21 65.58 3gqb n SER 51 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gqb h GLU 52 N 0.00 1.09 -0.25 4.33 5.08 -1.99 -3.26 114.58 119.58 3gqb h GLU 52 Ca -0.12 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 3gqb h GLU 52 Cb 0.56 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3gqb h GLU 52 CO 0.17 1.03 -0.01 0.93 -1.00 0.00 0.00 179.01 180.13 3gqb h GLU 53 N 1.00 0.45 -1.52 2.33 4.39 -1.96 -3.42 114.58 115.85 3gqb h GLU 53 Ca 0.19 -0.15 0.31 0.00 0.34 0.00 0.00 59.36 60.05 3gqb h GLU 53 Cb 0.51 -0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.00 3gqb h GLU 53 CO 0.02 0.63 0.80 1.52 -1.16 0.00 0.00 179.01 180.82 3gqb s TYR 54 N -4.96 -0.06 -0.04 4.33 1.13 -1.23 -3.77 117.35 112.74 3gqb s TYR 54 Ca -0.14 -0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.50 3gqb s TYR 54 Cb 0.08 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.46 3gqb s TYR 54 CO 0.75 -0.32 -0.14 0.00 -2.51 0.00 0.00 175.55 173.33 3gqb s ALA 55 N -2.50 2.68 -0.25 9.51 0.00 -0.09 -1.58 121.76 129.54 3gqb s ALA 55 Ca 0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3gqb s ALA 55 Cb 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 3gqb s ALA 55 CO -0.03 0.56 0.17 0.08 0.00 0.00 0.00 175.76 176.54 3gqb s VAL 56 N -0.76 5.35 -0.12 0.00 1.01 0.79 -1.32 120.40 125.34 3gqb s VAL 56 Ca 0.12 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 3gqb s VAL 56 Cb -0.11 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3gqb s VAL 56 CO 0.01 0.32 -0.07 -0.63 0.00 0.00 0.00 175.10 174.73 3gqb s ILE 57 N 1.21 3.61 -0.39 2.22 1.01 0.78 -1.12 121.20 128.50 3gqb s ILE 57 Ca 0.08 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3gqb s ILE 57 Cb -0.14 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3gqb s ILE 57 CO 0.06 0.53 0.43 -1.58 0.00 0.00 0.00 174.94 174.38 3gqb s GLN 58 N -0.00 3.27 0.27 2.79 0.74 0.01 -0.32 119.66 126.42 3gqb s GLN 58 Ca -0.01 -0.60 -0.29 0.00 0.05 0.00 0.00 55.36 54.51 3gqb s GLN 58 Cb -0.14 -3.91 -0.09 0.00 1.10 0.00 0.00 33.01 29.97 3gqb s GLN 58 CO 0.03 -0.76 1.13 0.08 -0.55 0.00 0.00 175.29 175.23 3gqb s VAL 59 N 2.16 3.45 -0.04 1.34 1.01 0.04 -1.61 120.40 126.74 3gqb s VAL 59 Ca 0.13 1.41 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 3gqb s VAL 59 Cb -0.17 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3gqb s VAL 59 CO 0.13 0.32 0.81 -0.26 0.00 0.00 0.00 175.10 176.10 3gqb h PHE 60 N 4.04 -0.30 -2.72 5.22 0.04 -0.02 -3.47 116.94 119.73 3gqb h PHE 60 Ca -0.46 -0.01 -0.46 0.00 2.80 0.00 0.00 57.97 59.84 3gqb h PHE 60 Cb 1.21 0.10 0.12 0.00 2.20 0.00 0.00 35.95 39.58 3gqb h PHE 60 CO 0.59 0.05 0.23 -1.21 -0.60 0.00 0.00 178.31 177.37 3gqb s GLU 61 N -3.45 1.14 1.09 1.51 8.01 -1.26 -4.71 118.70 121.03 3gqb s GLU 61 Ca -0.11 -0.94 -0.19 0.00 0.01 0.00 0.00 54.97 53.74 3gqb s GLU 61 Cb 0.01 -2.14 0.07 0.00 -4.31 0.00 0.00 34.13 27.76 3gqb s GLU 61 CO 0.40 -1.92 -0.10 -0.85 0.01 0.00 0.00 175.26 172.80 3gqb n GLU 62 N -3.24 -1.32 0.00 1.61 0.00 -1.26 -4.91 120.64 111.52 3gqb n GLU 62 Ca 0.16 -0.37 0.08 0.00 0.00 0.00 0.00 57.16 57.03 3gqb n GLU 62 Cb 0.60 -1.65 -0.01 0.00 0.00 0.00 0.00 31.44 30.39 3gqb n GLU 62 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3gqb n THR 63 N -4.24 0.00 -1.67 3.84 5.66 -1.26 -4.97 114.28 111.63 3gqb n THR 63 Ca 0.01 -0.32 -0.49 0.00 -3.05 0.00 0.00 64.05 60.19 3gqb n THR 63 Cb 0.63 1.18 -0.05 0.00 -1.55 0.00 0.00 70.33 70.54 3gqb n THR 63 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3gqb n THR 64 N -0.18 0.33 0.00 1.09 -1.04 -1.26 -2.01 114.28 111.21 3gqb n THR 64 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gqb n THR 64 Cb 0.33 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 3gqb n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqb n GLY 65 N 3.95 2.25 3.77 3.41 0.00 -1.26 -5.08 105.19 112.23 3gqb n GLY 65 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3gqb n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 66 N 0.00 4.04 0.32 0.99 1.43 -0.85 -4.69 118.68 119.92 3gqb s LEU 66 Ca 0.00 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 3gqb s LEU 66 Cb 0.00 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 3gqb s LEU 66 CO 0.00 -0.84 0.35 1.51 0.23 0.00 0.00 176.35 177.59 3gqb s ASP 67 N -1.37 1.20 0.00 2.29 1.47 -1.26 -5.07 116.67 113.93 3gqb s ASP 67 Ca 0.62 -1.60 0.25 0.00 1.18 0.00 0.00 52.55 53.00 3gqb s ASP 67 Cb -0.28 0.59 0.41 0.00 -0.34 0.00 0.00 42.92 43.30 3gqb s ASP 67 CO 0.34 -1.14 1.36 0.18 0.68 0.00 0.00 175.17 176.59 3gqb n LEU 68 N -0.56 1.93 -0.03 2.11 4.77 -1.26 -4.11 117.00 119.84 3gqb n LEU 68 Ca 0.04 -0.65 -0.03 0.00 -0.03 0.00 0.00 56.01 55.34 3gqb n LEU 68 Cb 0.62 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3gqb n LEU 68 CO 0.31 0.34 -0.73 0.00 -1.33 0.00 0.00 177.39 175.98 3gqb n ALA 69 N 0.19 1.84 -0.25 -1.18 0.00 -1.26 -4.51 120.51 115.34 3gqb n ALA 69 Ca 0.13 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.13 3gqb n ALA 69 Cb 0.45 0.08 0.03 0.00 0.00 0.00 0.00 19.45 20.02 3gqb n ALA 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gqb n THR 70 N -2.25 1.21 -4.28 0.00 -2.24 -1.26 -5.03 114.28 100.43 3gqb n THR 70 Ca -0.11 -1.29 -0.34 0.00 -2.27 0.00 0.00 64.05 60.03 3gqb n THR 70 Cb 0.71 0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3gqb n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gqb s THR 71 N -1.43 4.19 -0.02 4.28 2.01 -1.26 -3.76 115.64 119.65 3gqb s THR 71 Ca 0.08 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3gqb s THR 71 Cb 0.07 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 3gqb s THR 71 CO 0.01 0.49 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.36 3gqb s SER 72 N 0.28 1.53 0.18 3.53 1.04 -1.00 -4.59 113.70 114.68 3gqb s SER 72 Ca -0.01 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.22 3gqb s SER 72 Cb -0.13 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 3gqb s SER 72 CO 0.02 0.14 0.24 -0.69 0.98 0.00 0.00 173.24 173.94 3gqb s VAL 73 N -0.20 4.96 -0.15 5.02 1.01 0.11 -1.79 120.40 129.36 3gqb s VAL 73 Ca 0.03 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 3gqb s VAL 73 Cb -0.06 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3gqb s VAL 73 CO -0.00 -0.17 0.72 -0.94 0.00 0.00 0.00 175.10 174.72 3gqb s SER 74 N -3.38 -0.68 0.06 3.32 1.04 -0.27 -0.02 113.70 113.77 3gqb s SER 74 Ca 0.33 1.01 -0.32 0.00 0.48 0.00 0.00 55.95 57.44 3gqb s SER 74 Cb -0.10 0.92 -0.11 0.00 0.10 0.00 0.00 66.02 66.83 3gqb s SER 74 CO 0.27 -0.43 1.82 -0.11 0.98 0.00 0.00 173.24 175.76 3gqb n LEU 75 N 1.67 3.74 -0.10 2.42 7.94 -1.26 -0.38 117.00 131.03 3gqb n LEU 75 Ca -0.16 0.99 -0.18 0.00 -1.11 0.00 0.00 56.01 55.55 3gqb n LEU 75 Cb 0.56 -1.48 -0.13 0.00 0.53 0.00 0.00 43.42 42.91 3gqb n LEU 75 CO 0.14 0.04 -1.20 0.52 -1.11 0.00 0.00 177.39 175.78 3gqb n VAL 76 N 4.71 1.54 -3.61 1.96 0.31 -0.28 -4.82 118.33 118.14 3gqb n VAL 76 Ca 0.19 -0.62 -0.06 0.00 -0.01 0.00 0.00 64.34 63.84 3gqb n VAL 76 Cb 0.34 -1.37 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 3gqb n VAL 76 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3gqb s GLU 77 N -2.53 0.33 0.19 5.55 2.12 -1.07 -5.01 118.70 118.28 3gqb s GLU 77 Ca -0.29 0.08 0.10 0.00 0.36 0.00 0.00 54.97 55.23 3gqb s GLU 77 Cb 0.08 0.15 -0.09 0.00 0.26 0.00 0.00 34.13 34.54 3gqb s GLU 77 CO 0.66 -0.10 1.35 0.22 -0.54 0.00 0.00 175.26 176.85 3gqb h ASP 78 N 2.33 0.00 -3.96 -1.70 1.82 -1.92 0.13 116.42 113.11 3gqb h ASP 78 Ca -0.13 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.15 3gqb h ASP 78 Cb 1.17 0.00 -0.29 0.00 0.68 0.00 0.00 39.33 40.90 3gqb h ASP 78 CO 0.26 0.79 -0.77 -0.69 -1.61 0.00 0.00 179.24 177.23 3gqb s VAL 79 N -2.82 0.54 -0.23 2.25 1.01 -1.26 -3.36 120.40 116.53 3gqb s VAL 79 Ca 0.02 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3gqb s VAL 79 Cb 0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 3gqb s VAL 79 CO 0.79 0.15 1.86 0.00 0.00 0.00 0.00 175.10 177.90 3gqb s ALA 80 N -0.16 3.05 0.41 5.51 0.00 -1.26 -4.87 121.76 124.43 3gqb s ALA 80 Ca 0.03 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.64 3gqb s ALA 80 Cb -0.03 -3.96 -0.07 0.00 0.00 0.00 0.00 23.12 19.07 3gqb s ALA 80 CO -0.00 -2.33 0.09 1.03 0.00 0.00 0.00 175.76 174.55 3gqb s ARG 81 N 5.37 2.09 -0.06 0.00 0.52 -1.26 -1.56 118.95 124.06 3gqb s ARG 81 Ca 0.83 -1.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 3gqb s ARG 81 Cb -0.28 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.39 3gqb s ARG 81 CO 0.33 -0.07 -0.09 -1.17 0.02 0.00 0.00 175.30 174.32 3gqb s LEU 82 N -3.80 1.53 -0.16 2.53 2.96 0.67 -4.80 118.68 117.61 3gqb s LEU 82 Ca 0.38 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.77 3gqb s LEU 82 Cb 0.07 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 46.02 3gqb s LEU 82 CO 0.20 0.00 1.92 -0.83 -1.32 0.00 0.00 176.35 176.33 3gqb s GLY 83 N 0.75 1.02 -0.01 7.98 0.00 -1.26 -1.73 107.32 114.07 3gqb s GLY 83 Ca -0.13 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.39 3gqb s GLY 83 CO 0.02 3.41 -0.04 0.54 0.00 0.00 0.00 173.10 177.04 3gqb s VAL 84 N 6.15 0.31 0.04 1.40 0.11 -0.78 -4.92 120.40 122.72 3gqb s VAL 84 Ca 0.86 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.77 3gqb s VAL 84 Cb -0.32 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3gqb s VAL 84 CO 0.35 0.11 0.07 -1.54 -3.33 0.00 0.00 175.10 170.75 3gqb n SER 85 N 3.20 -0.19 -0.99 3.54 3.41 -1.26 -1.70 113.62 119.62 3gqb n SER 85 Ca -0.15 -1.22 0.10 0.00 -0.26 0.00 0.00 58.87 57.33 3gqb n SER 85 Cb 0.57 0.34 0.26 0.00 -0.26 0.00 0.00 64.21 65.12 3gqb n SER 85 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3gqb n LYS 86 N -0.07 2.27 -0.47 4.33 2.85 -1.26 -4.04 118.16 121.76 3gqb n LYS 86 Ca -0.00 -1.95 0.06 0.00 -1.05 0.00 0.00 58.31 55.37 3gqb n LYS 86 Cb 0.07 -1.45 0.26 0.00 -0.65 0.00 0.00 35.03 33.25 3gqb n LYS 86 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gqb n GLU 87 N 1.11 3.08 0.00 -1.58 -0.58 -1.26 -4.13 120.64 117.28 3gqb n GLU 87 Ca 0.19 -2.02 0.14 0.00 -0.42 0.00 0.00 57.16 55.05 3gqb n GLU 87 Cb 0.49 -1.78 0.64 0.00 -0.57 0.00 0.00 31.44 30.23 3gqb n GLU 87 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3gqb n MET 88 N 0.64 0.76 -1.71 3.49 2.81 -1.26 -4.85 117.12 117.00 3gqb n MET 88 Ca 0.18 -0.24 -0.34 0.00 -1.81 0.00 0.00 57.70 55.49 3gqb n MET 88 Cb 0.71 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.79 3gqb n MET 88 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3gqb s LEU 89 N -2.41 3.42 0.00 4.03 1.43 -1.26 -2.47 118.68 121.43 3gqb s LEU 89 Ca 0.31 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 3gqb s LEU 89 Cb 0.20 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3gqb s LEU 89 CO 0.46 -1.82 0.00 0.61 0.23 0.00 0.00 176.35 175.83 3gqb n GLY 90 N -0.02 0.21 3.00 -3.19 0.00 0.51 -4.90 105.19 100.81 3gqb n GLY 90 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3gqb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqb n ARG 91 N -2.00 -0.60 -3.11 1.61 5.12 -1.03 -4.84 116.66 111.80 3gqb n ARG 91 Ca 0.00 -1.79 0.03 0.00 -1.93 0.00 0.00 57.85 54.16 3gqb n ARG 91 Cb 0.00 -0.85 -0.00 0.00 -1.16 0.00 0.00 32.46 30.45 3gqb n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3gqb s ARG 92 N -4.96 0.47 0.26 5.56 3.52 -1.26 -3.36 118.95 119.17 3gqb s ARG 92 Ca 0.56 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.38 3gqb s ARG 92 Cb -0.02 0.14 0.04 0.00 -1.56 0.00 0.00 34.95 33.55 3gqb s ARG 92 CO 0.38 -0.79 0.31 1.19 -0.81 0.00 0.00 175.30 175.58 3gqb n PHE 93 N 4.88 -2.13 -4.05 5.12 3.01 0.63 -1.11 117.46 123.81 3gqb n PHE 93 Ca 0.08 -1.01 -0.09 0.00 1.01 0.00 0.00 57.45 57.44 3gqb n PHE 93 Cb 0.57 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 3gqb n PHE 93 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3gqb n ASN 94 N -2.43 2.17 -0.05 4.37 6.94 -1.01 -1.53 115.26 123.71 3gqb n ASN 94 Ca 0.05 -1.65 -0.01 0.00 -0.02 0.00 0.00 54.58 52.94 3gqb n ASN 94 Cb 0.28 0.07 -0.01 0.00 -2.36 0.00 0.00 39.78 37.76 3gqb n ASN 94 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gqb n GLY 95 N 3.10 -1.44 0.00 4.83 0.00 -1.09 -0.45 105.19 110.14 3gqb n GLY 95 Ca -0.05 0.36 0.15 0.00 0.00 0.00 0.00 46.02 46.48 3gqb n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gqb n ILE 96 N -3.02 0.00 -2.06 -0.61 5.41 -1.26 -3.90 119.36 113.92 3gqb n ILE 96 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.75 3gqb n ILE 96 Cb 0.03 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 3gqb n ILE 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gqb n GLY 97 N 1.00 0.44 3.90 7.39 0.00 0.41 -5.06 105.19 113.26 3gqb n GLY 97 Ca 0.22 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3gqb n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqb s LYS 98 N -4.13 3.55 0.32 1.61 1.02 -1.26 -4.79 119.74 116.06 3gqb s LYS 98 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.53 3gqb s LYS 98 Cb -0.00 -3.03 -0.11 0.00 -0.52 0.00 0.00 37.83 34.17 3gqb s LYS 98 CO 0.00 0.61 1.43 -2.14 -0.92 0.00 0.00 175.35 174.33 3gqb s PRO 99 N -2.08 4.23 0.00 -1.68 0.02 -1.26 -2.41 135.00 131.81 3gqb s PRO 99 Ca 0.31 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3gqb s PRO 99 Cb -0.13 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3gqb s PRO 99 CO 0.20 -0.41 0.39 -0.89 -0.33 0.00 0.00 177.00 175.96 3gqb n ILE 100 N 1.18 0.15 0.45 2.83 2.08 -0.27 -4.73 119.36 121.05 3gqb n ILE 100 Ca 0.03 -0.29 0.07 0.00 0.56 0.00 0.00 62.75 63.12 3gqb n ILE 100 Cb 0.40 1.30 0.21 0.00 -0.75 0.00 0.00 39.64 40.80 3gqb n ILE 100 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3gqb n ASP 101 N -0.07 2.65 -0.74 4.38 5.68 -1.17 -4.88 116.55 122.39 3gqb n ASP 101 Ca 0.00 -2.07 -0.10 0.00 -0.50 0.00 0.00 54.79 52.13 3gqb n ASP 101 Cb 0.23 -0.34 -0.04 0.00 -1.14 0.00 0.00 41.12 39.82 3gqb n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gqb n GLY 102 N 1.14 1.04 3.67 6.12 0.00 -1.26 -5.00 105.19 110.90 3gqb n GLY 102 Ca 0.16 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 3gqb n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gqb n LEU 103 N -1.10 0.00 -4.79 0.99 4.77 -1.26 -5.09 117.00 110.52 3gqb n LEU 103 Ca -0.10 -2.28 -0.35 0.00 -0.03 0.00 0.00 56.01 53.25 3gqb n LEU 103 Cb 0.45 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3gqb n LEU 103 CO 0.15 -0.76 0.70 -2.16 -1.33 0.00 0.00 177.39 173.99 3gqb s PRO 104 N -4.58 4.17 0.49 3.23 0.05 -1.26 -4.91 135.00 132.20 3gqb s PRO 104 Ca 0.58 1.37 -0.23 0.00 0.05 0.00 0.00 61.00 62.77 3gqb s PRO 104 Cb -0.04 -2.42 -0.08 0.00 0.05 0.00 0.00 34.50 32.01 3gqb s PRO 104 CO 0.37 -0.11 1.26 -2.30 0.05 0.00 0.00 177.00 176.28 3gqb n PRO 105 N -0.26 1.72 -4.13 0.56 -0.02 -1.26 -4.98 135.00 126.64 3gqb n PRO 105 Ca 0.06 0.62 -0.26 0.00 -2.02 0.00 0.00 63.50 61.90 3gqb n PRO 105 Cb 0.51 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 3gqb n PRO 105 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3gqb s ILE 106 N -1.27 4.24 -0.21 4.25 -5.25 -1.26 -5.10 121.20 116.60 3gqb s ILE 106 Ca 0.66 -1.24 -0.17 0.00 -0.99 0.00 0.00 60.65 58.92 3gqb s ILE 106 Cb -0.46 -3.17 -0.03 0.00 2.95 0.00 0.00 42.46 41.74 3gqb s ILE 106 CO 0.54 -0.14 0.46 -0.89 -1.79 0.00 0.00 174.94 173.11 3gqb s THR 107 N -1.80 5.14 -0.15 8.37 2.01 -1.26 -5.02 115.64 122.94 3gqb s THR 107 Ca 0.30 0.81 -0.08 0.00 0.31 0.00 0.00 61.69 63.03 3gqb s THR 107 Cb -0.09 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3gqb s THR 107 CO 0.22 0.19 0.15 -2.16 -0.69 0.00 0.00 174.62 172.33 3gqb s PRO 108 N 1.62 3.74 0.43 4.92 0.04 -1.26 -4.71 135.00 139.77 3gqb s PRO 108 Ca 0.21 -0.14 0.23 0.00 0.04 0.00 0.00 61.00 61.34 3gqb s PRO 108 Cb -0.15 -3.28 0.32 0.00 0.04 0.00 0.00 34.50 31.43 3gqb s PRO 108 CO 0.09 0.59 1.58 0.93 0.04 0.00 0.00 177.00 180.23 3gqb h GLU 109 N 5.61 0.00 -2.77 4.56 4.39 -1.72 -3.47 114.58 121.19 3gqb h GLU 109 Ca -0.50 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 3gqb h GLU 109 Cb 1.20 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.69 3gqb h GLU 109 CO 0.65 0.00 0.05 0.15 -1.16 0.00 0.00 179.01 178.70 3gqb s LYS 110 N -3.22 1.05 -0.26 2.33 1.02 -1.13 -5.06 119.74 114.47 3gqb s LYS 110 Ca 0.07 -0.24 -0.08 0.00 0.02 0.00 0.00 55.97 55.74 3gqb s LYS 110 Cb 0.05 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.81 3gqb s LYS 110 CO 0.68 -0.38 0.10 1.03 -0.92 0.00 0.00 175.35 175.86 3gqb s ARG 111 N -2.49 3.64 -0.03 1.68 0.52 -1.26 -1.86 118.95 119.16 3gqb s ARG 111 Ca -0.05 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3gqb s ARG 111 Cb -0.01 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 3gqb s ARG 111 CO -0.02 -0.23 -0.06 -0.51 0.02 0.00 0.00 175.30 174.50 3gqb s LEU 112 N 1.64 3.19 -0.04 2.53 1.43 -0.70 -4.74 118.68 121.98 3gqb s LEU 112 Ca 0.06 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 3gqb s LEU 112 Cb -0.16 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 3gqb s LEU 112 CO 0.05 0.31 2.05 -2.65 0.23 0.00 0.00 176.35 176.35 3gqb n PRO 113 N 1.82 2.61 0.07 1.29 -0.02 -1.26 -0.24 135.00 139.27 3gqb n PRO 113 Ca -0.16 0.90 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 3gqb n PRO 113 Cb 0.53 -3.08 0.41 0.00 -0.02 0.00 0.00 33.50 31.33 3gqb n PRO 113 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3gqb n ILE 114 N 6.21 0.93 0.25 4.25 -0.00 -0.60 -1.47 119.36 128.93 3gqb n ILE 114 Ca 0.23 0.26 0.12 0.00 -0.00 0.00 0.00 62.75 63.36 3gqb n ILE 114 Cb 0.42 -1.11 0.62 0.00 -0.00 0.00 0.00 39.64 39.57 3gqb n ILE 114 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 3gqb h THR 115 N 0.00 0.50 -1.24 7.28 2.02 -1.88 -3.42 112.91 116.17 3gqb h THR 115 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3gqb h THR 115 Cb 0.30 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3gqb h THR 115 CO 0.00 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.65 3gqb n GLY 116 N -0.27 -0.65 3.08 2.16 0.00 -0.54 -4.95 105.19 104.03 3gqb n GLY 116 Ca -0.01 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3gqb n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 117 N 0.00 1.83 0.33 0.99 1.43 -1.26 -5.05 118.68 116.95 3gqb s LEU 117 Ca 0.00 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 3gqb s LEU 117 Cb 0.00 0.51 -0.09 0.00 0.03 0.00 0.00 46.19 46.63 3gqb s LEU 117 CO 0.00 -0.42 1.17 -2.16 0.23 0.00 0.00 176.35 175.17 3gqb s PRO 118 N -1.97 4.40 0.40 1.29 0.04 -1.26 -4.98 135.00 132.92 3gqb s PRO 118 Ca -0.10 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 3gqb s PRO 118 Cb -0.05 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 3gqb s PRO 118 CO -0.02 -0.04 1.24 -0.51 0.04 0.00 0.00 177.00 177.71 3gqb s LEU 119 N -1.85 4.23 -0.15 -3.56 1.43 -1.26 -4.96 118.68 112.56 3gqb s LEU 119 Ca 0.49 2.52 -0.29 0.00 -1.03 0.00 0.00 54.13 55.82 3gqb s LEU 119 Cb -0.33 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 3gqb s LEU 119 CO 0.43 -0.75 1.37 0.21 0.23 0.00 0.00 176.35 177.85 3gqb s ASN 120 N -0.89 6.84 0.39 2.29 3.84 -1.26 -4.90 114.94 121.24 3gqb s ASN 120 Ca 0.56 1.79 0.18 0.00 0.21 0.00 0.00 52.86 55.60 3gqb s ASN 120 Cb -0.35 -2.54 1.11 0.00 -0.55 0.00 0.00 41.25 38.92 3gqb s ASN 120 CO 0.45 -0.84 1.74 -0.65 -2.79 0.00 0.00 177.10 175.01 3gqb h PRO 121 N 8.70 0.37 0.00 0.43 0.11 -2.00 0.46 132.00 140.08 3gqb h PRO 121 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3gqb h PRO 121 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gqb h PRO 121 CO 0.97 0.25 0.00 0.28 -0.21 0.00 0.00 178.00 179.29 3gqb h VAL 122 N 0.38 0.00 -0.03 3.15 2.07 -2.04 -2.57 116.25 117.22 3gqb h VAL 122 Ca 0.63 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.86 3gqb h VAL 122 Cb 1.59 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3gqb h VAL 122 CO -0.35 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.23 3gqb n ALA 123 N -1.83 2.49 -1.08 1.67 0.00 0.16 -4.95 120.51 116.98 3gqb n ALA 123 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3gqb n ALA 123 Cb 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3gqb n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gqb n ARG 124 N 1.29 1.02 -3.24 0.00 1.74 -0.97 -2.40 116.66 114.10 3gqb n ARG 124 Ca 0.14 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 3gqb n ARG 124 Cb 0.59 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.00 3gqb n ARG 124 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gqb s ARG 125 N -0.15 0.12 -0.19 5.56 3.52 -0.98 -3.64 118.95 123.19 3gqb s ARG 125 Ca 0.00 0.29 -0.39 0.00 -0.13 0.00 0.00 55.73 55.50 3gqb s ARG 125 Cb 0.00 0.17 -0.15 0.00 -1.56 0.00 0.00 34.95 33.41 3gqb s ARG 125 CO 0.00 -0.06 1.70 1.63 -0.81 0.00 0.00 175.30 177.76 3gqb n LYS 126 N 4.84 1.31 -1.83 5.12 5.02 -1.26 -4.44 118.16 126.92 3gqb n LYS 126 Ca -0.07 0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 3gqb n LYS 126 Cb 0.54 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 3gqb n LYS 126 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3gqb s PRO 127 N 3.10 4.17 0.00 1.97 0.02 -1.26 -4.90 135.00 138.09 3gqb s PRO 127 Ca 0.95 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.45 3gqb s PRO 127 Cb -1.00 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 30.36 3gqb s PRO 127 CO 0.60 -0.69 0.00 -0.85 -0.33 0.00 0.00 177.00 175.73 3gqb n GLU 128 N 4.15 0.97 -3.03 5.54 0.28 -1.26 -4.68 120.64 122.61 3gqb n GLU 128 Ca 0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.80 3gqb n GLU 128 Cb 0.37 -0.79 -0.06 0.00 1.43 0.00 0.00 31.44 32.39 3gqb n GLU 128 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3gqb s GLN 129 N -1.58 4.22 0.47 3.44 -1.52 -1.26 -3.34 119.66 120.09 3gqb s GLN 129 Ca 0.00 0.91 -0.00 0.00 -1.95 0.00 0.00 55.36 54.32 3gqb s GLN 129 Cb 0.00 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 3gqb s GLN 129 CO 0.00 0.25 0.70 -0.59 -0.25 0.00 0.00 175.29 175.40 3gqb s PHE 130 N -1.76 3.20 -0.08 0.91 -0.00 -1.24 0.78 117.98 119.79 3gqb s PHE 130 Ca 0.50 0.25 0.03 0.00 -0.00 0.00 0.00 56.93 57.71 3gqb s PHE 130 Cb -0.14 -2.38 0.01 0.00 -0.00 0.00 0.00 43.02 40.50 3gqb s PHE 130 CO 0.19 -0.44 -0.18 0.42 -0.00 0.00 0.00 175.22 175.21 3gqb s ILE 131 N -2.61 1.61 -0.43 -4.49 1.01 -0.40 -4.62 121.20 111.27 3gqb s ILE 131 Ca 0.49 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 3gqb s ILE 131 Cb -0.10 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3gqb s ILE 131 CO 0.39 0.46 0.98 -1.58 0.00 0.00 0.00 174.94 175.18 3gqb s GLN 132 N 0.53 3.68 0.15 2.79 0.74 -0.31 -4.44 119.66 122.80 3gqb s GLN 132 Ca -0.16 0.40 0.11 0.00 0.05 0.00 0.00 55.36 55.76 3gqb s GLN 132 Cb -0.17 -3.88 -0.11 0.00 1.10 0.00 0.00 33.01 29.95 3gqb s GLN 132 CO 0.06 -1.16 1.22 1.79 -0.55 0.00 0.00 175.29 176.65 3gqb h THR 133 N 6.02 1.22 0.00 -0.34 1.35 -1.89 -2.08 112.91 117.20 3gqb h THR 133 Ca -0.23 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 3gqb h THR 133 Cb 1.07 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 3gqb h THR 133 CO 1.03 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 177.61 3gqb n GLY 134 N 1.33 0.42 3.65 5.82 0.00 -1.26 -3.70 105.19 111.45 3gqb n GLY 134 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3gqb n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqb s ILE 135 N -2.15 5.19 0.16 -0.61 1.01 -1.26 -1.91 121.20 121.62 3gqb s ILE 135 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 3gqb s ILE 135 Cb 0.00 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3gqb s ILE 135 CO 0.00 0.38 1.81 0.28 0.00 0.00 0.00 174.94 177.41 3gqb h SER 136 N 7.34 0.46 -0.98 3.58 0.02 -1.87 0.46 113.55 122.56 3gqb h SER 136 Ca -0.38 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3gqb h SER 136 Cb 1.17 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 3gqb h SER 136 CO 0.67 0.34 0.64 0.71 -1.14 0.00 0.00 176.83 178.05 3gqb h THR 137 N 0.55 1.21 0.00 -2.27 1.35 -1.92 -0.62 112.91 111.21 3gqb h THR 137 Ca 0.16 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3gqb h THR 137 Cb -0.05 -0.18 0.00 0.00 -1.73 0.00 0.00 68.15 66.19 3gqb h THR 137 CO -0.04 0.23 0.00 -0.38 -0.25 0.00 0.00 175.52 175.08 3gqb n ILE 138 N -4.44 0.00 -0.25 6.82 5.41 -1.06 -2.73 119.36 123.11 3gqb n ILE 138 Ca 0.12 0.81 -0.04 0.00 1.00 0.00 0.00 62.75 64.65 3gqb n ILE 138 Cb 0.06 -1.67 0.02 0.00 -0.71 0.00 0.00 39.64 37.34 3gqb n ILE 138 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3gqb h ASP 139 N 0.00 -1.21 0.07 4.38 3.32 -0.03 0.51 116.42 123.47 3gqb h ASP 139 Ca 0.00 0.25 -0.25 0.00 0.02 0.00 0.00 57.03 57.05 3gqb h ASP 139 Cb 0.00 0.62 0.02 0.00 0.22 0.00 0.00 39.33 40.19 3gqb h ASP 139 CO 0.00 -0.30 -1.01 0.58 -1.72 0.00 0.00 179.24 176.79 3gqb h VAL 140 N -0.11 1.34 0.03 -1.35 2.07 -1.31 -3.35 116.25 113.57 3gqb h VAL 140 Ca 0.27 -2.34 -0.38 0.00 0.82 0.00 0.00 66.70 65.07 3gqb h VAL 140 Cb 0.56 2.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 3gqb h VAL 140 CO -0.77 0.70 -2.27 0.23 0.02 0.00 0.00 177.57 175.48 3gqb n MET 141 N -3.94 0.66 -2.37 1.57 2.81 -0.92 -4.67 117.12 110.26 3gqb n MET 141 Ca -0.12 0.23 -0.18 0.00 -1.81 0.00 0.00 57.70 55.82 3gqb n MET 141 Cb 0.88 -1.58 0.02 0.00 -0.71 0.00 0.00 33.22 31.83 3gqb n MET 141 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3gqb n ASN 142 N -3.57 3.78 -4.51 7.83 5.03 0.18 -4.82 115.26 119.18 3gqb n ASN 142 Ca -0.43 -3.26 -0.55 0.00 0.87 0.00 0.00 54.58 51.22 3gqb n ASN 142 Cb 0.97 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 39.24 3gqb n ASN 142 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3gqb n THR 143 N -0.56 0.45 -2.46 3.41 -1.04 -0.96 -4.57 114.28 108.55 3gqb n THR 143 Ca 0.31 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.78 3gqb n THR 143 Cb 0.85 -0.26 -0.02 0.00 -1.82 0.00 0.00 70.33 69.07 3gqb n THR 143 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3gqb s LEU 144 N 0.65 4.21 0.04 -4.42 2.96 -1.26 -4.49 118.68 116.37 3gqb s LEU 144 Ca 0.83 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 56.48 3gqb s LEU 144 Cb -1.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.00 3gqb s LEU 144 CO 0.54 -0.68 0.02 0.68 -1.32 0.00 0.00 176.35 175.60 3gqb s VAL 145 N 2.94 4.21 0.03 1.68 -7.23 -1.26 -1.27 120.40 119.50 3gqb s VAL 145 Ca 0.54 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 3gqb s VAL 145 Cb -0.22 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.68 3gqb s VAL 145 CO 0.17 0.25 1.92 -0.13 -0.31 0.00 0.00 175.10 176.99 3gqb s ARG 146 N -1.96 4.15 0.00 4.82 0.52 0.23 -1.55 118.95 125.16 3gqb s ARG 146 Ca 0.24 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 58.00 3gqb s ARG 146 Cb -0.12 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.23 3gqb s ARG 146 CO 0.15 -0.94 0.00 0.41 0.02 0.00 0.00 175.30 174.95 3gqb n GLY 147 N 4.47 0.56 3.89 -3.53 0.00 -1.24 -4.19 105.19 105.14 3gqb n GLY 147 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3gqb n GLY 147 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gqb s GLN 148 N -0.67 3.71 -0.23 1.61 0.74 -0.59 -3.06 119.66 121.16 3gqb s GLN 148 Ca 0.00 0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.70 3gqb s GLN 148 Cb 0.00 -2.45 0.01 0.00 1.10 0.00 0.00 33.01 31.67 3gqb s GLN 148 CO 0.00 -0.01 -0.05 -1.59 -0.55 0.00 0.00 175.29 173.09 3gqb s LYS 149 N -3.93 3.12 -0.29 1.67 -2.85 -1.26 -1.18 119.74 115.01 3gqb s LYS 149 Ca 0.49 -0.79 -0.02 0.00 -1.00 0.00 0.00 55.97 54.65 3gqb s LYS 149 Cb -0.10 -2.99 0.10 0.00 -2.06 0.00 0.00 37.83 32.77 3gqb s LYS 149 CO 0.33 -0.29 0.10 -1.17 0.10 0.00 0.00 175.35 174.42 3gqb s LEU 150 N 1.41 1.58 0.39 2.77 2.96 -0.65 -0.86 118.68 126.28 3gqb s LEU 150 Ca 0.03 -1.46 -0.04 0.00 -0.22 0.00 0.00 54.13 52.44 3gqb s LEU 150 Cb -0.15 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 3gqb s LEU 150 CO -0.04 -0.42 0.67 -2.16 -1.32 0.00 0.00 176.35 173.08 3gqb s PRO 151 N 1.80 3.58 -0.20 0.98 0.04 -1.26 -4.39 135.00 135.55 3gqb s PRO 151 Ca 0.09 0.05 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 3gqb s PRO 151 Cb -0.17 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3gqb s PRO 151 CO -0.28 0.00 0.58 0.42 0.04 0.00 0.00 177.00 177.76 3gqb s ILE 152 N -2.44 5.06 -0.47 0.56 1.01 -0.23 -0.33 121.20 124.36 3gqb s ILE 152 Ca 0.45 1.08 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 3gqb s ILE 152 Cb -0.10 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.53 3gqb s ILE 152 CO 0.38 0.14 0.45 -0.36 0.00 0.00 0.00 174.94 175.55 3gqb s PHE 153 N 1.77 3.18 0.00 3.97 0.40 0.38 -1.68 117.98 126.00 3gqb s PHE 153 Ca 0.27 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3gqb s PHE 153 Cb -0.16 -3.17 0.00 0.00 0.51 0.00 0.00 43.02 40.21 3gqb s PHE 153 CO 0.10 -0.82 0.00 0.45 0.70 0.00 0.00 175.22 175.65 3gqb n SER 154 N 5.50 1.00 -3.75 1.36 2.88 -0.44 -0.13 113.62 120.03 3gqb n SER 154 Ca -0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 3gqb n SER 154 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 3gqb n SER 154 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3gqb s GLY 155 N -0.17 -0.20 0.03 0.46 0.00 -1.26 -2.74 107.32 103.43 3gqb s GLY 155 Ca 0.00 0.58 -0.36 0.00 0.00 0.00 0.00 44.72 44.94 3gqb s GLY 155 CO 0.00 0.39 1.55 1.44 0.00 0.00 0.00 173.10 176.47 3gqb n SER 156 N 1.78 2.43 0.00 1.64 7.64 -1.26 -0.53 113.62 125.32 3gqb n SER 156 Ca -0.19 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3gqb n SER 156 Cb 0.56 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3gqb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gqb n GLY 157 N 3.30 2.16 3.40 0.23 0.00 -1.26 -5.07 105.19 107.95 3gqb n GLY 157 Ca 0.20 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3gqb n GLY 157 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gqb n LEU 158 N 0.00 -0.39 -3.64 0.99 4.32 0.31 -4.89 117.00 113.69 3gqb n LEU 158 Ca 0.00 0.67 -0.41 0.00 -0.02 0.00 0.00 56.01 56.25 3gqb n LEU 158 Cb 0.00 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 40.70 3gqb n LEU 158 CO 0.00 -3.54 2.04 -0.81 -1.22 0.00 0.00 177.39 173.87 3gqb n PRO 159 N 0.23 4.47 -0.04 3.23 -0.04 -1.26 -4.74 135.00 136.85 3gqb n PRO 159 Ca 0.10 -3.75 -0.14 0.00 -0.04 0.00 0.00 63.50 59.67 3gqb n PRO 159 Cb 0.48 -2.67 -0.08 0.00 -0.04 0.00 0.00 33.50 31.19 3gqb n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gqb h ALA 160 N 4.90 0.17 -0.98 0.55 0.00 -1.90 -3.04 119.26 118.97 3gqb h ALA 160 Ca 0.56 -0.40 0.15 0.00 0.00 0.00 0.00 54.91 55.22 3gqb h ALA 160 Cb 0.41 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 3gqb h ALA 160 CO 1.46 0.16 -0.38 0.09 0.00 0.00 0.00 179.25 180.59 3gqb n ASN 161 N -4.46 -0.62 -0.09 0.00 3.02 -1.26 0.41 115.26 112.25 3gqb n ASN 161 Ca -0.07 1.71 -0.06 0.00 -0.03 0.00 0.00 54.58 56.13 3gqb n ASN 161 Cb 0.45 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 3gqb n ASN 161 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3gqb h GLU 162 N 0.00 0.07 0.27 3.52 3.07 -1.95 0.83 114.58 120.40 3gqb h GLU 162 Ca 0.35 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 3gqb h GLU 162 Cb 0.59 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3gqb h GLU 162 CO -0.98 0.05 -0.13 0.82 -1.40 0.00 0.00 179.01 177.37 3gqb h ILE 163 N 0.07 0.73 -0.06 3.13 2.04 -1.07 0.16 117.51 122.53 3gqb h ILE 163 Ca 0.16 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.04 3gqb h ILE 163 Cb 0.22 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3gqb h ILE 163 CO -0.28 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.35 3gqb h ALA 164 N 0.36 -0.91 -1.00 1.87 0.00 0.31 0.24 119.26 120.13 3gqb h ALA 164 Ca -0.04 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.04 3gqb h ALA 164 Cb 0.28 0.97 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 3gqb h ALA 164 CO 0.06 -1.08 0.64 0.00 0.00 0.00 0.00 179.25 178.87 3gqb h ALA 165 N -0.42 2.15 -0.00 0.00 0.00 0.82 -1.47 119.26 120.34 3gqb h ALA 165 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gqb h ALA 165 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gqb h ALA 165 CO -0.38 -0.52 -0.02 0.37 0.00 0.00 0.00 179.25 178.70 3gqb h GLN 166 N 0.45 0.01 -0.64 0.00 4.15 0.17 -1.78 115.11 117.47 3gqb h GLN 166 Ca 0.56 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.99 3gqb h GLN 166 Cb 1.34 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 3gqb h GLN 166 CO -0.27 0.79 0.43 0.82 -1.93 0.00 0.00 178.83 178.66 3gqb h ILE 167 N -0.76 1.10 -0.58 2.39 2.04 -0.41 0.12 117.51 121.42 3gqb h ILE 167 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3gqb h ILE 167 Cb 0.79 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3gqb h ILE 167 CO 0.00 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.67 3gqb h ALA 168 N 1.62 0.74 -0.21 1.87 0.00 -1.17 0.14 119.26 122.24 3gqb h ALA 168 Ca 0.25 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 3gqb h ALA 168 Cb 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gqb h ALA 168 CO -0.07 0.19 -0.65 0.00 0.00 0.00 0.00 179.25 178.73 3gqb h ARG 169 N 0.78 0.81 0.16 0.00 3.08 -0.37 -3.37 114.38 115.47 3gqb h ARG 169 Ca 0.21 -0.59 -0.33 0.00 0.07 0.00 0.00 59.98 59.34 3gqb h ARG 169 Cb -0.06 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3gqb h ARG 169 CO -0.04 1.21 -1.67 1.96 -1.07 0.00 0.00 179.97 180.35 3gqb h GLN 170 N 0.56 0.33 -6.19 0.04 4.20 -0.60 -3.49 115.11 109.97 3gqb h GLN 170 Ca -0.02 -0.57 -0.61 0.00 0.06 0.00 0.00 58.65 57.51 3gqb h GLN 170 Cb 1.27 0.21 0.15 0.00 0.30 0.00 0.00 27.48 29.41 3gqb h GLN 170 CO 0.14 1.27 -0.65 0.00 -0.67 0.00 0.00 178.83 178.92 3gqb n ALA 171 N -2.92 -2.17 -3.55 3.87 0.00 0.46 -4.80 120.51 111.41 3gqb n ALA 171 Ca -0.26 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 3gqb n ALA 171 Cb 1.02 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 3gqb n ALA 171 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gqb s THR 172 N -1.58 0.00 0.17 0.00 -1.32 -0.78 -4.99 115.64 107.14 3gqb s THR 172 Ca 0.62 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.00 3gqb s THR 172 Cb -0.61 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.31 3gqb s THR 172 CO 0.60 0.00 0.50 0.68 -2.21 0.00 0.00 174.62 174.18 3gqb s VAL 173 N -2.60 4.98 -0.74 5.08 -7.23 -1.26 -1.16 120.40 117.47 3gqb s VAL 173 Ca 0.06 0.48 0.04 0.00 -1.81 0.00 0.00 61.98 60.75 3gqb s VAL 173 Cb -0.01 -3.65 0.26 0.00 0.56 0.00 0.00 36.38 33.54 3gqb s VAL 173 CO -0.06 0.09 0.90 0.54 -0.31 0.00 0.00 175.10 176.25 3gqb n ARG 174 N 0.31 2.93 -0.33 4.82 5.12 -1.26 -4.90 116.66 123.34 3gqb n ARG 174 Ca -0.03 -4.64 -0.03 0.00 -1.93 0.00 0.00 57.85 51.22 3gqb n ARG 174 Cb 0.52 -2.32 0.11 0.00 -1.16 0.00 0.00 32.46 29.61 3gqb n ARG 174 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3gqb h PRO 175 N 4.53 1.25 0.00 5.56 0.11 -1.96 -2.14 132.00 139.35 3gqb h PRO 175 Ca 0.20 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3gqb h PRO 175 Cb 0.66 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3gqb h PRO 175 CO 0.94 0.88 0.00 -0.40 -0.21 0.00 0.00 178.00 179.22 3gqb n ASP 176 N -4.35 0.52 0.01 -2.05 5.75 -1.26 -0.01 116.55 115.16 3gqb n ASP 176 Ca 0.10 0.70 0.11 0.00 -0.01 0.00 0.00 54.79 55.69 3gqb n ASP 176 Cb 0.07 -0.78 -0.07 0.00 -1.03 0.00 0.00 41.12 39.31 3gqb n ASP 176 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gqb n LEU 177 N -2.15 0.62 -0.11 -2.12 4.77 -0.81 -4.25 117.00 112.94 3gqb n LEU 177 Ca -0.00 -0.20 0.01 0.00 -0.03 0.00 0.00 56.01 55.79 3gqb n LEU 177 Cb 0.10 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3gqb n LEU 177 CO 0.12 0.12 0.49 -1.54 -1.33 0.00 0.00 177.39 175.25 3gqb n SER 178 N -1.83 2.05 0.00 -1.43 3.41 -0.21 -3.59 113.62 112.01 3gqb n SER 178 Ca 0.02 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3gqb n SER 178 Cb 0.42 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3gqb n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqb n GLY 179 N -0.26 1.55 3.49 5.00 0.00 0.99 -4.92 105.19 111.04 3gqb n GLY 179 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.52 3gqb n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqb n GLU 180 N -0.88 0.37 -1.76 1.61 1.02 -1.09 -4.89 120.64 115.03 3gqb n GLU 180 Ca 0.00 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 3gqb n GLU 180 Cb 0.00 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3gqb n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqb n GLY 181 N 1.81 1.21 0.02 0.62 0.00 -1.26 -4.66 105.19 102.93 3gqb n GLY 181 Ca 0.17 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.69 3gqb n GLY 181 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gqb n GLU 182 N 0.94 0.20 0.21 1.61 0.00 -1.26 -4.30 120.64 118.03 3gqb n GLU 182 Ca 0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 57.16 57.01 3gqb n GLU 182 Cb 0.38 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.24 3gqb n GLU 182 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 3gqb h LYS 183 N 0.12 -0.52 -1.39 5.31 2.10 -2.03 -2.84 116.57 117.33 3gqb h LYS 183 Ca 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3gqb h LYS 183 Cb 0.44 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3gqb h LYS 183 CO 0.00 -0.22 0.00 0.39 -2.00 0.00 0.00 179.45 177.62 3gqb n GLU 184 N -5.22 0.84 -1.61 0.07 4.71 -1.26 -4.10 120.64 114.07 3gqb n GLU 184 Ca -0.10 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.07 3gqb n GLU 184 Cb 0.28 -1.08 0.05 0.00 -1.01 0.00 0.00 31.44 29.68 3gqb n GLU 184 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3gqb n GLU 185 N 0.85 0.66 -1.89 3.49 1.02 -1.07 -4.72 120.64 118.98 3gqb n GLU 185 Ca 0.00 -2.53 -0.39 0.00 -0.02 0.00 0.00 57.16 54.22 3gqb n GLU 185 Cb 0.42 -0.60 0.01 0.00 -0.02 0.00 0.00 31.44 31.25 3gqb n GLU 185 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gqb s PRO 186 N -1.26 3.73 -0.17 3.49 0.04 -1.26 -4.79 135.00 134.78 3gqb s PRO 186 Ca 0.34 2.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 3gqb s PRO 186 Cb 0.38 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 3gqb s PRO 186 CO -0.13 -0.74 -0.12 0.12 0.04 0.00 0.00 177.00 176.18 3gqb s PHE 187 N -1.24 2.85 0.07 0.56 2.19 -1.26 -1.16 117.98 119.99 3gqb s PHE 187 Ca 0.61 -0.97 0.06 0.00 0.33 0.00 0.00 56.93 56.95 3gqb s PHE 187 Cb -0.41 -1.95 -0.03 0.00 -1.31 0.00 0.00 43.02 39.32 3gqb s PHE 187 CO 0.53 -0.47 -0.16 0.00 1.83 0.00 0.00 175.22 176.95 3gqb s ALA 188 N 0.97 1.30 -0.24 11.12 0.00 -0.09 -4.94 121.76 129.87 3gqb s ALA 188 Ca -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 3gqb s ALA 188 Cb -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3gqb s ALA 188 CO -0.01 0.22 -0.00 0.08 0.00 0.00 0.00 175.76 176.04 3gqb s VAL 189 N -1.12 3.58 -0.46 0.00 1.01 -0.50 -0.98 120.40 121.93 3gqb s VAL 189 Ca 0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3gqb s VAL 189 Cb -0.09 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.66 3gqb s VAL 189 CO 0.02 0.33 0.39 -0.69 0.00 0.00 0.00 175.10 175.15 3gqb s VAL 190 N 1.49 5.23 -0.15 2.92 1.01 0.50 -1.30 120.40 130.09 3gqb s VAL 190 Ca 0.05 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3gqb s VAL 190 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3gqb s VAL 190 CO -0.01 -0.54 0.36 0.12 0.00 0.00 0.00 175.10 175.03 3gqb s PHE 191 N 1.68 3.47 -0.15 5.22 5.36 -0.66 -1.41 117.98 131.49 3gqb s PHE 191 Ca 0.05 0.70 -0.02 0.00 -0.96 0.00 0.00 56.93 56.70 3gqb s PHE 191 Cb -0.23 -2.43 0.05 0.00 -0.34 0.00 0.00 43.02 40.07 3gqb s PHE 191 CO 0.07 0.20 0.00 0.00 -1.46 0.00 0.00 175.22 174.03 3gqb s ALA 192 N 0.57 1.04 -0.18 11.12 0.00 0.19 0.13 121.76 134.63 3gqb s ALA 192 Ca 0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 3gqb s ALA 192 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 3gqb s ALA 192 CO 0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 175.76 174.90 3gqb s ALA 193 N 1.83 2.81 -0.22 0.00 0.00 0.17 -1.29 121.76 125.06 3gqb s ALA 193 Ca 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3gqb s ALA 193 Cb -0.15 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 3gqb s ALA 193 CO -0.07 -0.06 -0.05 -1.64 0.00 0.00 0.00 175.76 173.94 3gqb s MET 194 N 0.84 3.26 -0.94 0.00 -1.94 0.18 -0.52 119.30 120.19 3gqb s MET 194 Ca -0.02 -0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 53.20 3gqb s MET 194 Cb -0.15 -2.98 0.01 0.00 2.01 0.00 0.00 34.83 33.72 3gqb s MET 194 CO 0.01 -0.24 0.78 0.41 -0.01 0.00 0.00 175.02 175.98 3gqb n GLY 195 N 4.77 -0.08 3.88 -0.03 0.00 -0.23 -3.10 105.19 110.40 3gqb n GLY 195 Ca -0.18 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3gqb n GLY 195 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gqb s ILE 196 N -3.20 4.76 0.27 -0.61 -4.36 0.30 -3.90 121.20 114.47 3gqb s ILE 196 Ca 0.39 0.67 -0.04 0.00 -0.26 0.00 0.00 60.65 61.41 3gqb s ILE 196 Cb -0.17 -3.83 -0.05 0.00 1.25 0.00 0.00 42.46 39.66 3gqb s ILE 196 CO 0.48 -0.90 0.53 0.42 0.24 0.00 0.00 174.94 175.71 3gqb s THR 197 N -2.85 5.05 0.33 8.37 -4.23 -1.26 -0.38 115.64 120.67 3gqb s THR 197 Ca 0.53 0.01 0.12 0.00 -1.18 0.00 0.00 61.69 61.16 3gqb s THR 197 Cb -0.11 -3.73 0.32 0.00 1.34 0.00 0.00 72.50 70.33 3gqb s THR 197 CO 0.45 -0.29 1.70 -0.61 -0.54 0.00 0.00 174.62 175.32 3gqb h GLN 198 N 1.77 0.44 -0.85 3.99 5.75 -1.98 0.29 115.11 124.52 3gqb h GLN 198 Ca -0.48 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.01 3gqb h GLN 198 Cb 1.19 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 3gqb h GLN 198 CO 0.67 0.29 0.56 -0.09 -2.65 0.00 0.00 178.83 177.60 3gqb h ARG 199 N 0.45 1.09 0.19 1.69 2.43 -1.99 -0.46 114.38 117.78 3gqb h ARG 199 Ca 0.69 -0.07 -0.31 0.00 -0.81 0.00 0.00 59.98 59.49 3gqb h ARG 199 Cb 1.45 -0.25 0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3gqb h ARG 199 CO -0.54 0.72 -1.37 0.93 -1.51 0.00 0.00 179.97 178.20 3gqb h GLU 200 N 1.12 0.40 0.36 0.20 5.08 -0.88 -2.95 114.58 117.92 3gqb h GLU 200 Ca 0.32 -0.69 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3gqb h GLU 200 Cb -0.09 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3gqb h GLU 200 CO -0.08 1.33 -0.22 1.25 -1.00 0.00 0.00 179.01 180.29 3gqb h LEU 201 N 0.11 -0.56 -0.97 1.33 5.85 -0.89 -0.40 115.31 119.78 3gqb h LEU 201 Ca -0.20 0.04 0.27 0.00 0.84 0.00 0.00 57.88 58.83 3gqb h LEU 201 Cb 2.07 0.17 -0.18 0.00 0.37 0.00 0.00 40.66 43.10 3gqb h LEU 201 CO 0.24 -0.36 0.08 -1.28 -0.34 0.00 0.00 178.44 176.78 3gqb h SER 202 N -0.56 -0.37 0.68 1.25 0.87 -1.17 0.12 113.55 114.38 3gqb h SER 202 Ca -0.04 0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3gqb h SER 202 Cb 0.47 0.44 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3gqb h SER 202 CO 0.03 -0.33 -0.33 0.22 -0.53 0.00 0.00 176.83 175.89 3gqb h TYR 203 N 0.03 -0.85 -1.00 2.24 3.20 -1.19 -1.60 116.97 117.80 3gqb h TYR 203 Ca 0.60 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.60 3gqb h TYR 203 Cb 1.26 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 39.72 3gqb h TYR 203 CO -0.44 -0.53 0.63 0.74 -1.64 0.00 0.00 178.16 176.92 3gqb h PHE 204 N -1.11 1.12 0.49 -3.82 0.05 -0.40 0.27 116.94 113.54 3gqb h PHE 204 Ca -0.09 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.71 3gqb h PHE 204 Cb 0.70 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3gqb h PHE 204 CO 0.02 0.37 -0.24 0.82 -0.18 0.00 0.00 178.31 179.11 3gqb h ILE 205 N 0.91 0.50 -0.72 -0.55 2.04 -1.04 -0.60 117.51 118.05 3gqb h ILE 205 Ca 0.53 -0.19 0.16 0.00 1.00 0.00 0.00 64.86 66.35 3gqb h ILE 205 Cb 0.64 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 37.17 3gqb h ILE 205 CO -0.31 0.03 -0.06 -0.61 0.00 0.00 0.00 178.15 177.20 3gqb h GLN 206 N -0.78 0.06 -0.28 2.37 4.15 -0.28 -1.36 115.11 118.99 3gqb h GLN 206 Ca -0.07 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 3gqb h GLN 206 Cb 0.56 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3gqb h GLN 206 CO 0.11 0.04 -0.15 0.93 -1.93 0.00 0.00 178.83 177.83 3gqb h GLU 207 N 0.06 0.48 0.00 1.69 4.39 -0.30 0.94 114.58 121.84 3gqb h GLU 207 Ca 0.37 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 3gqb h GLU 207 Cb 0.63 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3gqb h GLU 207 CO -0.67 0.62 -0.03 0.74 -1.16 0.00 0.00 179.01 178.51 3gqb h PHE 208 N 0.44 0.00 0.09 4.33 -1.00 -0.07 -3.33 116.94 117.40 3gqb h PHE 208 Ca 0.08 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.49 3gqb h PHE 208 Cb 0.53 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 3gqb h PHE 208 CO 0.02 0.03 -2.10 0.39 -1.61 0.00 0.00 178.31 175.04 3gqb n GLU 209 N -3.11 0.72 -0.31 1.51 1.02 -0.66 0.13 120.64 119.94 3gqb n GLU 209 Ca 0.03 0.25 0.17 0.00 -0.02 0.00 0.00 57.16 57.59 3gqb n GLU 209 Cb 0.49 -1.66 0.36 0.00 -0.02 0.00 0.00 31.44 30.61 3gqb n GLU 209 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3gqb h ARG 210 N -0.02 0.24 0.00 3.49 2.43 -0.93 -1.63 114.38 117.96 3gqb h ARG 210 Ca -0.47 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 3gqb h ARG 210 Cb 1.96 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.39 3gqb h ARG 210 CO 0.02 0.16 -0.44 2.41 -1.51 0.00 0.00 179.97 180.60 3gqb n THR 211 N -5.17 1.52 -1.00 0.20 -1.04 -1.26 -4.99 114.28 102.55 3gqb n THR 211 Ca 0.25 -2.26 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 3gqb n THR 211 Cb 0.80 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.35 3gqb n THR 211 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqb n GLY 212 N -0.83 0.37 0.37 3.41 0.00 -0.61 -4.87 105.19 103.03 3gqb n GLY 212 Ca 0.14 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.35 3gqb n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb h ALA 213 N 0.00 2.00 -0.71 4.61 0.00 -1.67 -2.28 119.26 121.21 3gqb h ALA 213 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gqb h ALA 213 Cb 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3gqb h ALA 213 CO 0.00 -0.54 0.34 1.25 0.00 0.00 0.00 179.25 180.30 3gqb h LEU 214 N 0.00 0.91 -2.71 0.00 5.85 0.78 -3.07 115.31 117.07 3gqb h LEU 214 Ca 0.16 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gqb h LEU 214 Cb 0.89 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3gqb h LEU 214 CO -0.00 0.78 0.09 0.77 -0.34 0.00 0.00 178.44 179.74 3gqb h SER 215 N 1.01 0.00 -0.10 1.25 4.64 -1.66 -1.53 113.55 117.15 3gqb h SER 215 Ca 0.25 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 3gqb h SER 215 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 3gqb h SER 215 CO -0.03 0.00 -0.54 -2.11 -0.87 0.00 0.00 176.83 173.28 3gqb n ARG 216 N -3.02 1.86 -4.34 4.77 1.85 -1.16 -3.35 116.66 113.27 3gqb n ARG 216 Ca -0.03 -3.42 -0.17 0.00 -1.00 0.00 0.00 57.85 53.23 3gqb n ARG 216 Cb 0.16 -1.71 -0.10 0.00 -1.05 0.00 0.00 32.46 29.76 3gqb n ARG 216 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3gqb s SER 217 N -3.28 2.04 -0.13 2.89 0.01 -0.60 -1.41 113.70 113.22 3gqb s SER 217 Ca 0.40 -1.17 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 3gqb s SER 217 Cb 0.38 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.60 3gqb s SER 217 CO -0.06 -0.43 -0.05 -0.69 0.41 0.00 0.00 173.24 172.43 3gqb s VAL 218 N -3.30 0.91 -0.19 3.43 1.01 -0.42 -0.36 120.40 121.47 3gqb s VAL 218 Ca 0.26 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3gqb s VAL 218 Cb 0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3gqb s VAL 218 CO 0.08 0.23 0.18 -0.76 0.00 0.00 0.00 175.10 174.83 3gqb s LEU 219 N 1.74 4.22 -0.61 3.92 1.43 -1.21 -1.66 118.68 126.51 3gqb s LEU 219 Ca 0.03 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3gqb s LEU 219 Cb -0.14 -2.17 0.16 0.00 0.03 0.00 0.00 46.19 44.07 3gqb s LEU 219 CO -0.08 0.16 0.41 -0.36 0.23 0.00 0.00 176.35 176.72 3gqb s PHE 220 N 0.36 3.36 -0.13 0.29 0.08 0.12 -0.27 117.98 121.79 3gqb s PHE 220 Ca 0.10 -2.82 -0.21 0.00 0.12 0.00 0.00 56.93 54.13 3gqb s PHE 220 Cb -0.12 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 3gqb s PHE 220 CO -0.00 -0.82 0.59 -0.51 -0.10 0.00 0.00 175.22 174.38 3gqb s LEU 221 N -0.16 4.25 -0.05 -0.37 1.43 -0.58 -0.65 118.68 122.54 3gqb s LEU 221 Ca 0.17 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 3gqb s LEU 221 Cb -0.21 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.16 3gqb s LEU 221 CO -0.03 -0.12 -0.08 0.21 0.23 0.00 0.00 176.35 176.56 3gqb s ASN 222 N 0.86 1.30 0.39 2.29 3.84 0.33 -2.65 114.94 121.29 3gqb s ASN 222 Ca 0.30 -0.20 -0.01 0.00 0.21 0.00 0.00 52.86 53.16 3gqb s ASN 222 Cb -0.16 -0.59 -0.03 0.00 -0.55 0.00 0.00 41.25 39.91 3gqb s ASN 222 CO 0.13 -0.01 0.63 -0.54 -2.79 0.00 0.00 177.10 174.52 3gqb s LYS 223 N 0.73 3.48 0.39 0.43 1.02 -1.26 -0.54 119.74 124.00 3gqb s LYS 223 Ca -0.12 -0.18 0.10 0.00 0.02 0.00 0.00 55.97 55.79 3gqb s LYS 223 Cb -0.15 -2.57 0.80 0.00 -0.52 0.00 0.00 37.83 35.39 3gqb s LYS 223 CO 0.02 0.02 1.92 0.00 -0.92 0.00 0.00 175.35 176.39 3gqb h ALA 224 N 0.58 1.52 -0.01 5.17 0.00 -0.83 -2.95 119.26 122.73 3gqb h ALA 224 Ca -0.49 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3gqb h ALA 224 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gqb h ALA 224 CO 0.61 0.35 -0.03 -0.40 0.00 0.00 0.00 179.25 179.78 3gqb n ASP 225 N -4.27 1.03 -4.81 0.00 5.75 -1.26 -4.90 116.55 108.08 3gqb n ASP 225 Ca -0.01 -1.25 -0.31 0.00 -0.01 0.00 0.00 54.79 53.22 3gqb n ASP 225 Cb 0.27 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.43 3gqb n ASP 225 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3gqb s ASP 226 N -2.09 5.05 0.22 -1.12 -0.00 -1.11 -4.96 116.67 112.66 3gqb s ASP 226 Ca 0.38 1.55 -0.31 0.00 -0.00 0.00 0.00 52.55 54.16 3gqb s ASP 226 Cb 0.21 -2.37 -0.11 0.00 -0.00 0.00 0.00 42.92 40.65 3gqb s ASP 226 CO 0.37 -1.65 1.65 -2.16 -0.00 0.00 0.00 175.17 173.39 3gqb s PRO 227 N -5.06 4.15 0.21 8.23 0.04 -1.26 -4.88 135.00 136.43 3gqb s PRO 227 Ca 0.59 2.54 -0.09 0.00 0.04 0.00 0.00 61.00 64.09 3gqb s PRO 227 Cb -0.14 -3.08 0.28 0.00 0.04 0.00 0.00 34.50 31.59 3gqb s PRO 227 CO 0.55 -0.69 1.78 1.79 0.04 0.00 0.00 177.00 180.47 3gqb h THR 228 N 3.75 0.88 -0.91 1.26 1.35 -1.93 -1.34 112.91 115.97 3gqb h THR 228 Ca -0.44 -0.20 0.26 0.00 -0.55 0.00 0.00 66.41 65.48 3gqb h THR 228 Cb 1.21 0.25 -0.04 0.00 -1.73 0.00 0.00 68.15 67.84 3gqb h THR 228 CO 0.91 0.11 0.65 -0.29 -0.25 0.00 0.00 175.52 176.64 3gqb h ILE 229 N 0.58 0.56 -0.49 6.82 2.10 -1.90 1.08 117.51 126.26 3gqb h ILE 229 Ca 0.31 -0.01 0.13 0.00 1.08 0.00 0.00 64.86 66.37 3gqb h ILE 229 Cb 0.30 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 36.52 3gqb h ILE 229 CO -0.24 0.01 0.35 -0.33 -1.08 0.00 0.00 178.15 176.86 3gqb h GLU 230 N 0.04 0.08 -0.45 2.19 5.08 -1.61 -1.74 114.58 118.18 3gqb h GLU 230 Ca 0.44 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.69 3gqb h GLU 230 Cb 1.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 3gqb h GLU 230 CO -0.03 0.06 -0.13 -0.09 -1.00 0.00 0.00 179.01 177.82 3gqb h ARG 231 N 0.09 0.88 -0.51 2.33 2.43 0.11 -1.75 114.38 117.95 3gqb h ARG 231 Ca 0.23 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3gqb h ARG 231 Cb 0.81 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3gqb h ARG 231 CO -0.02 0.99 0.26 0.82 -1.51 0.00 0.00 179.97 180.51 3gqb h ILE 232 N 0.71 1.17 0.05 1.20 2.04 -1.31 -3.15 117.51 118.23 3gqb h ILE 232 Ca 0.11 -0.46 -0.25 0.00 1.00 0.00 0.00 64.86 65.27 3gqb h ILE 232 Cb 0.68 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3gqb h ILE 232 CO 0.05 0.19 -1.20 -0.07 0.00 0.00 0.00 178.15 177.12 3gqb h LEU 233 N 0.72 0.18 -0.52 1.44 3.38 -1.25 -3.38 115.31 115.87 3gqb h LEU 233 Ca 0.18 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3gqb h LEU 233 Cb 0.06 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3gqb h LEU 233 CO -0.03 1.17 -0.56 0.74 0.09 0.00 0.00 178.44 179.85 3gqb h THR 234 N 0.03 0.00 -0.49 0.22 2.02 -1.27 0.90 112.91 114.32 3gqb h THR 234 Ca -0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.12 3gqb h THR 234 Cb 1.88 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 3gqb h THR 234 CO 0.15 0.00 0.32 -0.65 0.37 0.00 0.00 175.52 175.72 3gqb h PRO 235 N -0.32 0.50 -0.33 6.66 0.11 -1.74 -0.62 132.00 136.25 3gqb h PRO 235 Ca 0.09 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 3gqb h PRO 235 Cb 0.56 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3gqb h PRO 235 CO -0.66 0.33 -0.42 0.00 -0.21 0.00 0.00 178.00 177.04 3gqb h ARG 236 N 0.51 0.83 0.57 1.05 3.08 -1.47 -1.86 114.38 117.09 3gqb h ARG 236 Ca 0.20 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3gqb h ARG 236 Cb 0.15 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.23 3gqb h ARG 236 CO -0.05 1.09 -0.27 0.52 -1.07 0.00 0.00 179.97 180.19 3gqb h MET 237 N 0.67 -0.73 -0.70 0.04 2.86 0.28 -1.39 114.93 115.96 3gqb h MET 237 Ca 0.05 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 3gqb h MET 237 Cb 1.00 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 32.70 3gqb h MET 237 CO 0.10 -0.46 -0.20 0.00 1.06 0.00 0.00 176.91 177.41 3gqb h ALA 238 N -0.44 0.40 0.00 6.32 0.00 -1.17 -1.07 119.26 123.30 3gqb h ALA 238 Ca -0.08 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3gqb h ALA 238 Cb 0.61 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3gqb h ALA 238 CO 0.13 -0.45 -0.41 -0.07 0.00 0.00 0.00 179.25 178.45 3gqb h LEU 239 N -0.02 0.00 -0.26 0.00 3.38 -1.22 -0.37 115.31 116.82 3gqb h LEU 239 Ca 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 3gqb h LEU 239 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3gqb h LEU 239 CO -0.73 0.41 -0.20 0.74 0.09 0.00 0.00 178.44 178.75 3gqb h THR 240 N 0.00 1.31 -0.11 0.22 2.02 -0.12 0.31 112.91 116.53 3gqb h THR 240 Ca -0.00 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 3gqb h THR 240 Cb 1.07 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3gqb h THR 240 CO 0.05 0.42 -0.32 0.58 0.37 0.00 0.00 175.52 176.63 3gqb h VAL 241 N 0.31 1.27 -0.02 3.16 2.07 -0.94 -2.61 116.25 119.49 3gqb h VAL 241 Ca 0.05 -1.27 -0.18 0.00 0.82 0.00 0.00 66.70 66.13 3gqb h VAL 241 Cb 0.75 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3gqb h VAL 241 CO 0.05 0.38 -0.67 0.00 0.02 0.00 0.00 177.57 177.35 3gqb h ALA 242 N 1.48 0.11 -0.75 1.67 0.00 -0.84 -0.93 119.26 120.00 3gqb h ALA 242 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3gqb h ALA 242 Cb 0.66 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3gqb h ALA 242 CO 0.05 0.42 0.45 0.93 0.00 0.00 0.00 179.25 181.10 3gqb h GLU 243 N 0.03 1.02 0.25 0.00 5.08 -0.41 -0.60 114.58 119.95 3gqb h GLU 243 Ca -0.08 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3gqb h GLU 243 Cb 1.36 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3gqb h GLU 243 CO 0.13 0.72 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.82 3gqb h TYR 244 N 1.04 -0.31 -0.61 4.33 3.20 -1.38 0.31 116.97 123.55 3gqb h TYR 244 Ca 0.27 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 3gqb h TYR 244 Cb -0.04 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3gqb h TYR 244 CO 0.00 0.05 0.29 -0.07 -1.64 0.00 0.00 178.16 176.80 3gqb h LEU 245 N -0.75 0.77 0.41 2.82 3.38 -1.17 -2.73 115.31 118.04 3gqb h LEU 245 Ca -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3gqb h LEU 245 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gqb h LEU 245 CO 0.06 0.66 -0.19 0.00 0.09 0.00 0.00 178.44 179.05 3gqb h ALA 246 N 1.47 -0.54 -0.50 1.53 0.00 -0.97 -1.78 119.26 118.45 3gqb h ALA 246 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gqb h ALA 246 Cb 0.09 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gqb h ALA 246 CO -0.03 -0.52 0.00 1.19 0.00 0.00 0.00 179.25 179.89 3gqb n PHE 247 N -5.14 0.68 -0.08 0.00 0.99 0.11 -1.61 117.46 112.40 3gqb n PHE 247 Ca -0.07 -0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.04 3gqb n PHE 247 Cb 0.23 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.71 3gqb n PHE 247 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3gqb n GLU 248 N 0.97 1.02 0.00 -1.08 1.02 -1.03 -4.87 120.64 116.67 3gqb n GLU 248 Ca 0.17 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3gqb n GLU 248 Cb 0.43 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 3gqb n GLU 248 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gqb n HIS 249 N -0.15 0.00 -1.50 -0.32 8.25 -1.12 -5.03 115.22 115.35 3gqb n HIS 249 Ca 0.00 -0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.25 3gqb n HIS 249 Cb 0.02 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 3gqb n HIS 249 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3gqb n ASP 250 N -0.05 -4.91 -4.77 0.41 8.00 -0.63 -4.93 116.55 109.67 3gqb n ASP 250 Ca 0.00 0.37 -0.38 0.00 0.71 0.00 0.00 54.79 55.49 3gqb n ASP 250 Cb 0.24 -3.82 -0.03 0.00 -0.02 0.00 0.00 41.12 37.49 3gqb n ASP 250 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3gqb s TYR 251 N -2.60 3.28 -0.25 1.24 1.51 -0.69 -4.17 117.35 115.67 3gqb s TYR 251 Ca 0.00 1.62 -0.20 0.00 -1.01 0.00 0.00 57.07 57.48 3gqb s TYR 251 Cb 0.00 -3.29 -0.02 0.00 -0.11 0.00 0.00 41.96 38.55 3gqb s TYR 251 CO 0.00 -0.89 0.63 -1.01 -1.11 0.00 0.00 175.55 173.17 3gqb s HIS 252 N -1.41 3.29 -0.07 2.71 3.76 -0.31 -1.45 115.29 121.81 3gqb s HIS 252 Ca 0.53 0.83 0.03 0.00 -0.15 0.00 0.00 55.06 56.30 3gqb s HIS 252 Cb -0.29 -2.84 -0.02 0.00 1.11 0.00 0.00 32.58 30.54 3gqb s HIS 252 CO 0.36 -0.32 -0.14 0.08 -0.85 0.00 0.00 174.74 173.87 3gqb s VAL 253 N 2.49 3.11 -0.20 -0.90 1.01 0.27 -0.91 120.40 125.27 3gqb s VAL 253 Ca 0.26 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3gqb s VAL 253 Cb -0.15 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3gqb s VAL 253 CO 0.08 0.58 -0.10 -0.22 0.00 0.00 0.00 175.10 175.45 3gqb s LEU 254 N -0.54 2.65 -0.18 3.92 2.96 -0.16 -0.89 118.68 126.45 3gqb s LEU 254 Ca 0.07 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3gqb s LEU 254 Cb -0.12 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3gqb s LEU 254 CO 0.01 0.00 0.03 -0.69 -1.32 0.00 0.00 176.35 174.38 3gqb s VAL 255 N 1.32 4.41 -0.15 1.68 1.01 0.35 -0.37 120.40 128.65 3gqb s VAL 255 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3gqb s VAL 255 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3gqb s VAL 255 CO -0.05 0.46 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 3gqb s ILE 256 N 0.49 2.36 -0.26 2.22 1.01 -0.50 0.21 121.20 126.72 3gqb s ILE 256 Ca 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3gqb s ILE 256 Cb -0.13 -1.97 0.06 0.00 0.01 0.00 0.00 42.46 40.43 3gqb s ILE 256 CO 0.02 0.53 -0.11 -0.76 0.00 0.00 0.00 174.94 174.62 3gqb s LEU 257 N 0.83 3.44 -0.07 2.97 1.43 -0.64 -0.64 118.68 126.01 3gqb s LEU 257 Ca -0.06 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 3gqb s LEU 257 Cb -0.15 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3gqb s LEU 257 CO -0.01 -0.19 -0.06 0.28 0.23 0.00 0.00 176.35 176.60 3gqb s THR 258 N 1.10 0.73 -0.11 5.49 -1.32 -0.41 -0.04 115.64 121.08 3gqb s THR 258 Ca -0.09 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 3gqb s THR 258 Cb -0.20 -0.76 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3gqb s THR 258 CO -0.05 0.29 -0.10 -0.62 -2.21 0.00 0.00 174.62 171.94 3gqb s ASP 259 N 1.29 2.15 0.58 8.08 -1.08 -1.18 0.49 116.67 127.00 3gqb s ASP 259 Ca -0.04 -0.32 0.36 0.00 -0.52 0.00 0.00 52.55 52.02 3gqb s ASP 259 Cb -0.14 -0.88 1.77 0.00 -1.46 0.00 0.00 42.92 42.22 3gqb s ASP 259 CO -0.02 -0.08 2.15 0.24 0.52 0.00 0.00 175.17 177.98 3gqb h MET 260 N 7.88 0.00 -0.44 4.34 2.86 -0.64 0.72 114.93 129.65 3gqb h MET 260 Ca -0.31 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 3gqb h MET 260 Cb 1.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3gqb h MET 260 CO 0.44 0.04 0.15 1.15 1.06 0.00 0.00 176.91 179.74 3gqb h THR 261 N 0.00 1.22 -0.87 2.22 2.02 -1.87 0.84 112.91 116.47 3gqb h THR 261 Ca -0.00 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.50 3gqb h THR 261 Cb 0.28 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3gqb h THR 261 CO 0.00 0.25 0.56 0.78 0.37 0.00 0.00 175.52 177.49 3gqb h ASN 262 N 0.57 0.95 0.22 4.18 2.35 -1.16 0.39 115.58 123.08 3gqb h ASN 262 Ca 0.14 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3gqb h ASN 262 Cb 0.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3gqb h ASN 262 CO -0.01 0.66 -0.32 0.22 -1.65 0.00 0.00 177.43 176.34 3gqb h TYR 263 N 1.11 -0.86 -0.61 1.19 3.20 -0.91 -0.95 116.97 119.15 3gqb h TYR 263 Ca 0.34 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 3gqb h TYR 263 Cb -0.03 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3gqb h TYR 263 CO -0.02 -0.44 0.10 0.77 -1.64 0.00 0.00 178.16 176.93 3gqb h SER 264 N -0.60 0.93 -0.43 -2.11 0.02 -0.33 0.31 113.55 111.33 3gqb h SER 264 Ca 0.01 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3gqb h SER 264 Cb 0.59 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3gqb h SER 264 CO -0.12 0.93 0.29 -0.33 -1.14 0.00 0.00 176.83 176.46 3gqb h GLU 265 N 0.93 0.36 0.05 3.45 5.08 -0.12 -1.40 114.58 122.93 3gqb h GLU 265 Ca 0.19 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.24 3gqb h GLU 265 Cb 0.40 -0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.59 3gqb h GLU 265 CO 0.01 0.24 -1.13 0.00 -1.00 0.00 0.00 179.01 177.13 3gqb h ALA 266 N 1.76 0.07 -0.85 3.43 0.00 -0.17 -3.19 119.26 120.31 3gqb h ALA 266 Ca 0.19 -0.73 0.09 0.00 0.00 0.00 0.00 54.91 54.45 3gqb h ALA 266 Cb 0.26 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3gqb h ALA 266 CO -0.04 0.69 0.50 1.25 0.00 0.00 0.00 179.25 181.65 3gqb h LEU 267 N 0.35 0.75 -0.00 0.00 5.85 0.11 -1.91 115.31 120.44 3gqb h LEU 267 Ca -0.16 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3gqb h LEU 267 Cb 1.79 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3gqb h LEU 267 CO 0.22 0.44 -0.01 0.08 -0.34 0.00 0.00 178.44 178.83 3gqb h ARG 268 N 0.86 0.01 -0.65 1.25 0.11 -1.55 -3.23 114.38 111.19 3gqb h ARG 268 Ca 0.40 -0.01 0.10 0.00 0.10 0.00 0.00 59.98 60.57 3gqb h ARG 268 Cb 0.31 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.28 3gqb h ARG 268 CO -0.23 0.61 -0.39 1.49 0.10 0.00 0.00 179.97 181.56 3gqb h GLU 269 N -0.59 -0.16 0.00 0.08 4.81 -1.49 3.29 114.58 120.52 3gqb h GLU 269 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gqb h GLU 269 Cb 0.61 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3gqb h GLU 269 CO 0.00 -0.11 0.07 -0.89 -0.73 0.00 0.00 179.01 177.36 3gqb n ILE 270 N -5.42 0.65 -0.06 2.32 2.08 -0.74 -1.15 119.36 117.05 3gqb n ILE 270 Ca 0.04 0.24 -0.08 0.00 0.56 0.00 0.00 62.75 63.51 3gqb n ILE 270 Cb 0.36 -1.24 -0.05 0.00 -0.75 0.00 0.00 39.64 37.96 3gqb n ILE 270 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gqb n GLY 271 N -1.08 -0.17 0.31 7.39 0.00 1.06 -3.69 105.19 109.01 3gqb n GLY 271 Ca 0.00 -0.08 0.21 0.00 0.00 0.00 0.00 46.02 46.15 3gqb n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb h ALA 272 N 0.01 1.00 -0.34 4.61 0.00 0.50 0.88 119.26 125.92 3gqb h ALA 272 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gqb h ALA 272 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3gqb h ALA 272 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 3gqb n ALA 273 N -2.05 2.50 -0.58 0.00 0.00 -0.30 -4.16 120.51 115.92 3gqb n ALA 273 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.87 3gqb n ALA 273 Cb 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3gqb n ALA 273 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gqb n ARG 274 N 0.23 0.31 0.00 0.00 0.63 -0.65 -4.62 116.66 112.56 3gqb n ARG 274 Ca 0.16 -0.52 0.00 0.00 -0.92 0.00 0.00 57.85 56.57 3gqb n ARG 274 Cb 0.61 -0.71 0.00 0.00 0.45 0.00 0.00 32.46 32.80 3gqb n ARG 274 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3gqb n GLU 275 N -0.09 0.00 -1.69 -0.14 -0.00 -0.08 -5.02 120.64 113.62 3gqb n GLU 275 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.16 56.71 3gqb n GLU 275 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.66 3gqb n GLU 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3gqb n GLU 276 N -0.66 2.37 -2.16 3.44 1.02 0.11 -4.90 120.64 119.85 3gqb n GLU 276 Ca 0.00 0.85 -0.43 0.00 -0.02 0.00 0.00 57.16 57.57 3gqb n GLU 276 Cb 0.00 -2.65 -0.02 0.00 -0.02 0.00 0.00 31.44 28.75 3gqb n GLU 276 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3gqb s ILE 277 N 0.97 3.83 0.53 -3.67 -4.36 -1.26 -4.54 121.20 112.69 3gqb s ILE 277 Ca 0.77 0.99 -0.21 0.00 -0.26 0.00 0.00 60.65 61.94 3gqb s ILE 277 Cb -0.62 -3.67 -0.05 0.00 1.25 0.00 0.00 42.46 39.37 3gqb s ILE 277 CO 0.36 -0.12 1.23 -2.84 0.24 0.00 0.00 174.94 173.81 3gqb s PRO 278 N 3.93 3.33 0.00 0.37 0.02 -1.26 -4.51 135.00 136.88 3gqb s PRO 278 Ca 0.67 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3gqb s PRO 278 Cb -0.28 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.04 3gqb s PRO 278 CO 0.25 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 3gqb n GLY 279 N 0.52 0.69 3.46 0.52 0.00 0.50 -4.80 105.19 106.08 3gqb n GLY 279 Ca 0.10 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 3gqb n GLY 279 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gqb n ARG 280 N 0.00 0.59 -1.88 1.61 0.63 -1.26 0.37 116.66 116.72 3gqb n ARG 280 Ca 0.00 0.22 -0.05 0.00 -0.92 0.00 0.00 57.85 57.10 3gqb n ARG 280 Cb 0.00 -1.59 -0.01 0.00 0.45 0.00 0.00 32.46 31.31 3gqb n ARG 280 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3gqb n ARG 281 N 0.38 -1.82 -2.86 -0.14 1.74 -1.26 -2.57 116.66 110.13 3gqb n ARG 281 Ca 0.11 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.11 3gqb n ARG 281 Cb 0.43 -2.42 0.03 0.00 -1.02 0.00 0.00 32.46 29.48 3gqb n ARG 281 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gqb n GLY 282 N -0.37 0.31 3.60 -0.13 0.00 0.16 -5.00 105.19 103.75 3gqb n GLY 282 Ca 0.01 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 3gqb n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqb s TYR 283 N -3.05 2.48 0.14 1.61 2.02 -1.06 -4.78 117.35 114.71 3gqb s TYR 283 Ca 0.21 -0.62 -0.34 0.00 -0.37 0.00 0.00 57.07 55.96 3gqb s TYR 283 Cb -0.09 -1.65 -0.14 0.00 -0.40 0.00 0.00 41.96 39.67 3gqb s TYR 283 CO 0.26 0.49 1.60 -2.30 -1.57 0.00 0.00 175.55 174.03 3gqb n PRO 284 N -0.91 2.13 -0.36 -1.71 -0.02 -1.26 0.19 135.00 133.04 3gqb n PRO 284 Ca -0.05 0.77 0.37 0.00 -2.02 0.00 0.00 63.50 62.57 3gqb n PRO 284 Cb 0.66 -2.54 0.76 0.00 -0.02 0.00 0.00 33.50 32.35 3gqb n PRO 284 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gqb h GLY 285 N 6.15 0.00 -3.51 -1.23 0.00 -1.88 0.15 103.07 102.74 3gqb h GLY 285 Ca -0.45 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.50 3gqb h GLY 285 CO 0.89 0.00 0.43 1.58 0.00 0.00 0.00 176.54 179.44 3gqb n TYR 286 N -4.10 2.53 0.09 5.60 4.11 -1.26 -4.59 117.16 119.55 3gqb n TYR 286 Ca 0.28 -1.65 -0.03 0.00 -0.00 0.00 0.00 57.90 56.50 3gqb n TYR 286 Cb 1.35 -0.80 0.20 0.00 -0.00 0.00 0.00 39.34 40.10 3gqb n TYR 286 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.86 178.84 3gqb h MET 287 N 1.36 0.23 -0.22 -3.48 4.05 -1.05 -0.51 114.93 115.31 3gqb h MET 287 Ca 0.47 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.76 3gqb h MET 287 Cb 2.51 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 33.30 3gqb h MET 287 CO 0.88 0.65 0.12 -0.92 0.23 0.00 0.00 176.91 177.87 3gqb h TYR 288 N 0.19 0.30 -0.02 1.39 3.20 -1.82 -0.59 116.97 119.62 3gqb h TYR 288 Ca 0.01 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3gqb h TYR 288 Cb 0.89 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 3gqb h TYR 288 CO 0.02 0.27 0.01 1.15 -1.64 0.00 0.00 178.16 177.96 3gqb h THR 289 N 0.25 1.13 -0.10 1.81 2.02 -1.81 0.10 112.91 116.30 3gqb h THR 289 Ca 0.08 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3gqb h THR 289 Cb 0.07 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 3gqb h THR 289 CO -0.01 0.10 -0.51 -0.78 0.37 0.00 0.00 175.52 174.69 3gqb h ASP 290 N -0.12 -1.62 -0.90 4.18 3.58 -1.02 0.63 116.42 121.16 3gqb h ASP 290 Ca 0.01 0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.70 3gqb h ASP 290 Cb 0.16 0.63 -0.06 0.00 1.72 0.00 0.00 39.33 41.78 3gqb h ASP 290 CO -0.00 -0.48 0.57 -0.07 -2.88 0.00 0.00 179.24 176.38 3gqb h LEU 291 N -0.59 0.94 -0.58 2.28 3.38 -0.99 -0.78 115.31 118.98 3gqb h LEU 291 Ca 0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3gqb h LEU 291 Cb 0.68 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 3gqb h LEU 291 CO -0.41 0.63 -0.15 0.00 0.09 0.00 0.00 178.44 178.59 3gqb h ALA 292 N 1.39 0.37 0.00 1.53 0.00 0.04 0.42 119.26 123.00 3gqb h ALA 292 Ca 0.37 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3gqb h ALA 292 Cb 0.07 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gqb h ALA 292 CO -0.14 -0.44 0.00 0.25 0.00 0.00 0.00 179.25 178.92 3gqb n THR 293 N -5.41 1.58 -0.09 0.00 -2.24 0.14 -1.22 114.28 107.04 3gqb n THR 293 Ca 0.06 0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 62.12 3gqb n THR 293 Cb 0.31 -1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 67.20 3gqb n THR 293 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3gqb n ILE 294 N -1.50 1.49 -0.09 2.28 5.41 0.12 -4.56 119.36 122.50 3gqb n ILE 294 Ca 0.01 0.07 -0.00 0.00 1.00 0.00 0.00 62.75 63.83 3gqb n ILE 294 Cb 0.07 -2.27 0.27 0.00 -0.71 0.00 0.00 39.64 37.00 3gqb n ILE 294 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3gqb h TYR 295 N -1.00 0.73 0.00 1.39 0.05 -0.57 -2.62 116.97 114.94 3gqb h TYR 295 Ca -0.13 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3gqb h TYR 295 Cb 1.01 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.52 3gqb h TYR 295 CO -0.31 0.57 0.00 0.39 -1.05 0.00 0.00 178.16 177.76 3gqb n GLU 296 N -4.34 0.01 -1.49 4.88 -0.58 -0.36 -3.90 120.64 114.86 3gqb n GLU 296 Ca 0.04 0.27 -0.39 0.00 -0.42 0.00 0.00 57.16 56.66 3gqb n GLU 296 Cb 0.16 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 3gqb n GLU 296 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3gqb n ARG 297 N -1.56 3.93 -3.56 3.49 1.74 -0.99 -4.80 116.66 114.91 3gqb n ARG 297 Ca 0.03 -2.52 -0.16 0.00 -0.77 0.00 0.00 57.85 54.43 3gqb n ARG 297 Cb 0.17 -2.75 -0.06 0.00 -1.02 0.00 0.00 32.46 28.80 3gqb n ARG 297 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqb s ALA 298 N 1.27 -1.52 0.00 7.54 0.00 -1.25 -4.94 121.76 122.86 3gqb s ALA 298 Ca 0.66 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3gqb s ALA 298 Cb 0.18 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.45 3gqb s ALA 298 CO -0.07 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.69 3gqb n GLY 299 N 0.78 0.89 3.22 0.00 0.00 -0.18 -4.95 105.19 104.94 3gqb n GLY 299 Ca -0.19 -1.89 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 3gqb n GLY 299 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqb s VAL 300 N -1.82 1.29 0.05 1.61 -7.23 -1.26 -2.23 120.40 110.80 3gqb s VAL 300 Ca 0.00 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 3gqb s VAL 300 Cb 0.00 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 3gqb s VAL 300 CO 0.00 -0.31 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.64 3gqb s VAL 301 N -1.74 1.11 0.24 1.32 1.01 -1.26 -2.32 120.40 118.77 3gqb s VAL 301 Ca 0.05 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 3gqb s VAL 301 Cb -0.07 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 3gqb s VAL 301 CO 0.03 -0.05 1.35 -1.61 0.00 0.00 0.00 175.10 174.81 3gqb s GLU 302 N -1.29 4.35 0.00 2.72 2.02 -1.01 -2.86 118.70 122.62 3gqb s GLU 302 Ca 0.01 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.16 3gqb s GLU 302 Cb -0.08 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.00 3gqb s GLU 302 CO 0.02 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.42 3gqb n GLY 303 N 2.02 0.63 2.91 -1.39 0.00 -1.26 -5.03 105.19 103.07 3gqb n GLY 303 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3gqb n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqb s LYS 304 N -0.25 1.25 0.52 1.61 -0.14 -1.14 -5.03 119.74 116.56 3gqb s LYS 304 Ca 0.00 -0.20 0.31 0.00 -1.36 0.00 0.00 55.97 54.71 3gqb s LYS 304 Cb 0.00 -1.25 1.11 0.00 -1.68 0.00 0.00 37.83 36.02 3gqb s LYS 304 CO 0.00 -0.14 1.89 0.87 -0.76 0.00 0.00 175.35 177.21 3gqb h LYS 305 N 7.60 0.00 0.00 1.68 1.79 -1.91 -3.43 116.57 122.31 3gqb h LYS 305 Ca -0.31 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.83 3gqb h LYS 305 Cb 1.15 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.85 3gqb h LYS 305 CO 0.42 0.02 0.06 0.41 -1.08 0.00 0.00 179.45 179.28 3gqb n GLY 306 N 0.27 0.93 3.48 3.86 0.00 -1.26 -4.90 105.19 107.58 3gqb n GLY 306 Ca 0.01 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 3gqb n GLY 306 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqb s SER 307 N -3.82 -0.52 -0.12 1.61 1.04 -0.53 -4.62 113.70 106.75 3gqb s SER 307 Ca 0.46 0.24 0.02 0.00 0.48 0.00 0.00 55.95 57.15 3gqb s SER 307 Cb -0.03 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.60 3gqb s SER 307 CO 0.30 -0.72 -0.18 -0.69 0.98 0.00 0.00 173.24 172.93 3gqb s VAL 308 N -2.62 1.74 -0.03 5.02 1.01 -0.95 -0.56 120.40 124.01 3gqb s VAL 308 Ca -0.02 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3gqb s VAL 308 Cb -0.01 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gqb s VAL 308 CO -0.04 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 3gqb s THR 309 N 0.85 1.57 -0.10 3.92 2.01 -0.07 -1.01 115.64 122.80 3gqb s THR 309 Ca -0.08 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.14 3gqb s THR 309 Cb -0.15 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 3gqb s THR 309 CO -0.00 0.44 -0.23 -1.10 -0.69 0.00 0.00 174.62 173.04 3gqb s GLN 310 N -0.20 3.07 -0.63 4.92 -0.21 -0.33 0.13 119.66 126.41 3gqb s GLN 310 Ca 0.01 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.53 3gqb s GLN 310 Cb -0.10 -2.33 0.16 0.00 1.00 0.00 0.00 33.01 31.74 3gqb s GLN 310 CO 0.01 0.17 0.42 0.42 -2.12 0.00 0.00 175.29 174.20 3gqb s ILE 311 N 0.37 3.30 0.75 1.08 1.01 0.56 -1.64 121.20 126.63 3gqb s ILE 311 Ca -0.18 -3.36 -0.11 0.00 0.00 0.00 0.00 60.65 56.99 3gqb s ILE 311 Cb -0.18 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.16 3gqb s ILE 311 CO 0.08 -0.89 1.09 -2.84 0.00 0.00 0.00 174.94 172.38 3gqb s PRO 312 N -0.48 2.37 -0.03 2.79 0.02 -1.26 -1.62 135.00 136.80 3gqb s PRO 312 Ca 0.19 1.20 -0.01 0.00 0.02 0.00 0.00 61.00 62.41 3gqb s PRO 312 Cb -0.19 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3gqb s PRO 312 CO -0.05 -1.56 0.05 0.42 -0.33 0.00 0.00 177.00 175.54 3gqb s ILE 313 N -2.80 -0.06 -0.13 2.83 1.01 0.94 -1.06 121.20 121.93 3gqb s ILE 313 Ca 0.62 0.21 -0.06 0.00 0.00 0.00 0.00 60.65 61.42 3gqb s ILE 313 Cb -0.18 -0.11 0.06 0.00 0.01 0.00 0.00 42.46 42.24 3gqb s ILE 313 CO 0.53 0.08 0.29 -1.48 0.00 0.00 0.00 174.94 174.37 3gqb s LEU 314 N 1.08 -0.03 -0.31 2.97 0.05 -0.68 -0.05 118.68 121.72 3gqb s LEU 314 Ca -0.09 0.64 -0.28 0.00 0.05 0.00 0.00 54.13 54.45 3gqb s LEU 314 Cb -0.12 0.86 0.01 0.00 -2.05 0.00 0.00 46.19 44.88 3gqb s LEU 314 CO -0.04 -0.20 1.02 -0.94 -0.55 0.00 0.00 176.35 175.64 3gqb s SER 315 N 1.85 6.90 0.07 1.48 1.04 -1.26 -1.33 113.70 122.45 3gqb s SER 315 Ca -0.05 1.01 -0.31 0.00 0.48 0.00 0.00 55.95 57.09 3gqb s SER 315 Cb -0.11 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 3gqb s SER 315 CO -0.09 -0.82 1.32 -0.04 0.98 0.00 0.00 173.24 174.59 3gqb s MET 316 N 3.49 4.35 0.27 4.02 1.00 -1.11 -4.78 119.30 126.55 3gqb s MET 316 Ca 0.43 1.94 -0.03 0.00 0.00 0.00 0.00 55.69 58.03 3gqb s MET 316 Cb -0.13 -3.34 0.57 0.00 0.00 0.00 0.00 34.83 31.93 3gqb s MET 316 CO 0.14 -0.40 1.64 -1.35 0.00 0.00 0.00 175.02 175.05 3gqb h PRO 317 N 6.98 0.15 -0.90 2.03 0.11 -1.93 -3.03 132.00 135.41 3gqb h PRO 317 Ca -0.41 -0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.32 3gqb h PRO 317 Cb 1.20 -0.03 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 3gqb h PRO 317 CO 0.85 0.10 -1.09 -0.25 -0.21 0.00 0.00 178.00 177.40 3gqb n ASP 318 N -5.29 2.16 -1.90 -2.05 8.00 -1.26 -4.92 116.55 111.29 3gqb n ASP 318 Ca 0.17 -2.74 -0.16 0.00 0.71 0.00 0.00 54.79 52.78 3gqb n ASP 318 Cb 0.57 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3gqb n ASP 318 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gqb n ASP 319 N -0.30 -4.37 -4.37 -2.24 9.92 -1.15 -4.92 116.55 109.12 3gqb n ASP 319 Ca 0.15 0.26 -0.45 0.00 -0.53 0.00 0.00 54.79 54.22 3gqb n ASP 319 Cb 0.80 -3.84 -0.03 0.00 -0.64 0.00 0.00 41.12 37.41 3gqb n ASP 319 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gqb s ASP 320 N -2.19 6.44 0.03 -2.24 -1.08 -1.26 -4.89 116.67 111.47 3gqb s ASP 320 Ca 0.00 -1.94 0.05 0.00 -0.52 0.00 0.00 52.55 50.14 3gqb s ASP 320 Cb 0.00 -2.29 0.22 0.00 -1.46 0.00 0.00 42.92 39.39 3gqb s ASP 320 CO 0.00 -0.94 1.15 -1.14 0.52 0.00 0.00 175.17 174.76 3gqb n ARG 321 N 5.64 0.01 -0.10 4.34 0.63 -1.26 -0.84 116.66 125.09 3gqb n ARG 321 Ca 0.03 0.46 0.12 0.00 -0.92 0.00 0.00 57.85 57.54 3gqb n ARG 321 Cb 0.45 -1.54 0.29 0.00 0.45 0.00 0.00 32.46 32.11 3gqb n ARG 321 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3gqb n THR 322 N -1.56 0.26 -2.03 5.15 -2.24 -1.26 -3.76 114.28 108.84 3gqb n THR 322 Ca 0.01 -0.51 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 3gqb n THR 322 Cb 0.04 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 3gqb n THR 322 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gqb s HIS 323 N -1.74 2.52 0.25 4.78 5.04 -0.02 -4.77 115.29 121.35 3gqb s HIS 323 Ca 0.35 1.48 -0.03 0.00 -1.54 0.00 0.00 55.06 55.31 3gqb s HIS 323 Cb 0.20 -3.54 0.50 0.00 0.04 0.00 0.00 32.58 29.79 3gqb s HIS 323 CO 0.30 -2.18 1.70 -1.35 -2.34 0.00 0.00 174.74 170.87 3gqb h PRO 324 N 1.42 0.33 0.19 2.88 0.11 -1.90 0.35 132.00 135.39 3gqb h PRO 324 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gqb h PRO 324 Cb 1.28 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3gqb h PRO 324 CO 0.57 0.22 -0.35 0.82 -0.21 0.00 0.00 178.00 179.05 3gqb h ILE 325 N 0.34 0.00 0.00 4.15 2.04 -1.95 0.46 117.51 122.55 3gqb h ILE 325 Ca 0.44 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.19 3gqb h ILE 325 Cb 0.75 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3gqb h ILE 325 CO -0.49 0.00 -0.52 1.55 0.00 0.00 0.00 178.15 178.70 3gqb h PRO 326 N -0.58 0.00 0.02 2.37 0.13 -1.82 -1.70 132.00 130.41 3gqb h PRO 326 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3gqb h PRO 326 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3gqb h PRO 326 CO -0.13 0.52 -0.01 0.22 -0.23 0.00 0.00 178.00 178.37 3gqb h ASP 327 N 0.00 -0.03 -0.20 1.44 3.58 -0.67 0.11 116.42 120.66 3gqb h ASP 327 Ca -0.01 -0.42 -0.08 0.00 0.42 0.00 0.00 57.03 56.95 3gqb h ASP 327 Cb 0.96 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 3gqb h ASP 327 CO 0.07 0.41 -0.18 -0.07 -2.88 0.00 0.00 179.24 176.59 3gqb h LEU 328 N -0.47 0.50 -0.92 2.28 3.38 -0.96 -2.07 115.31 117.05 3gqb h LEU 328 Ca -0.00 -0.47 0.19 0.00 0.09 0.00 0.00 57.88 57.69 3gqb h LEU 328 Cb 0.45 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 3gqb h LEU 328 CO 0.01 0.87 0.48 0.74 0.09 0.00 0.00 178.44 180.63 3gqb h THR 329 N 0.14 0.61 -0.90 0.22 2.02 -1.34 -2.01 112.91 111.66 3gqb h THR 329 Ca 0.03 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gqb h THR 329 Cb 0.72 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 3gqb h THR 329 CO 0.05 0.11 0.55 1.23 0.37 0.00 0.00 175.52 177.82 3gqb h GLY 330 N 0.58 1.31 2.00 2.16 0.00 -0.40 -0.08 103.07 108.64 3gqb h GLY 330 Ca 0.55 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gqb h GLY 330 CO -0.44 0.53 0.00 -1.72 0.00 0.00 0.00 176.54 174.91 3gqb n TYR 331 N -4.39 0.37 -0.08 5.60 4.02 -0.78 -3.83 117.16 118.07 3gqb n TYR 331 Ca 0.10 0.14 -0.13 0.00 -0.01 0.00 0.00 57.90 58.00 3gqb n TYR 331 Cb 0.05 -0.73 -0.07 0.00 -0.02 0.00 0.00 39.34 38.58 3gqb n TYR 331 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3gqb n ILE 332 N -1.83 0.91 -2.31 -0.72 5.41 -0.90 -5.05 119.36 114.87 3gqb n ILE 332 Ca 0.03 -0.32 -0.27 0.00 1.00 0.00 0.00 62.75 63.19 3gqb n ILE 332 Cb 0.22 -1.24 0.03 0.00 -0.71 0.00 0.00 39.64 37.94 3gqb n ILE 332 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3gqb s THR 333 N -2.31 3.78 -0.94 1.39 -4.23 -0.09 -4.99 115.64 108.24 3gqb s THR 333 Ca -0.22 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 3gqb s THR 333 Cb 0.06 -3.51 0.23 0.00 1.34 0.00 0.00 72.50 70.63 3gqb s THR 333 CO 0.35 -0.55 2.18 -0.62 -0.54 0.00 0.00 174.62 175.44 3gqb n GLU 334 N -2.63 4.02 0.00 3.99 1.02 -0.04 -4.85 120.64 122.14 3gqb n GLU 334 Ca 0.05 -3.67 0.00 0.00 -0.02 0.00 0.00 57.16 53.51 3gqb n GLU 334 Cb 0.57 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 3gqb n GLU 334 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqb n GLY 335 N 0.40 0.24 0.00 0.62 0.00 -1.26 -1.93 105.19 103.26 3gqb n GLY 335 Ca 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3gqb n GLY 335 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLN 336 N 0.00 0.00 -4.42 1.61 0.00 0.18 -4.36 117.38 110.40 3gqb n GLN 336 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.00 56.66 3gqb n GLN 336 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.11 3gqb n GLN 336 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gqb s ILE 337 N -2.00 3.65 -0.07 -0.39 1.01 0.55 -1.55 121.20 122.40 3gqb s ILE 337 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3gqb s ILE 337 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3gqb s ILE 337 CO 0.00 0.49 -0.11 -1.58 0.00 0.00 0.00 174.94 173.73 3gqb s GLN 338 N 0.51 2.74 -0.44 2.79 0.74 -1.26 0.14 119.66 124.89 3gqb s GLN 338 Ca -0.04 -0.64 -0.17 0.00 0.05 0.00 0.00 55.36 54.56 3gqb s GLN 338 Cb -0.15 -2.50 0.04 0.00 1.10 0.00 0.00 33.01 31.50 3gqb s GLN 338 CO 0.03 0.56 0.42 -0.51 -0.55 0.00 0.00 175.29 175.24 3gqb s LEU 339 N -0.56 5.08 -0.35 3.68 1.43 0.81 -3.46 118.68 125.31 3gqb s LEU 339 Ca 0.08 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 3gqb s LEU 339 Cb -0.12 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.82 3gqb s LEU 339 CO 0.02 -0.60 1.20 -0.55 0.23 0.00 0.00 176.35 176.65 3gqb s SER 340 N 2.03 6.73 0.49 2.29 0.15 -0.81 -4.75 113.70 119.82 3gqb s SER 340 Ca 0.09 0.96 0.26 0.00 0.70 0.00 0.00 55.95 57.96 3gqb s SER 340 Cb -0.19 -2.54 1.31 0.00 -1.71 0.00 0.00 66.02 62.89 3gqb s SER 340 CO 0.11 -1.08 1.87 0.03 1.20 0.00 0.00 173.24 175.37 3gqb h ARG 341 N 8.98 0.17 -0.91 5.44 2.47 -1.96 -1.86 114.38 126.71 3gqb h ARG 341 Ca -0.24 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.51 3gqb h ARG 341 Cb 1.08 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.31 3gqb h ARG 341 CO 1.06 0.11 0.60 1.49 0.56 0.00 0.00 179.97 183.79 3gqb h GLU 342 N 0.17 1.11 0.00 0.04 4.81 -1.97 -0.77 114.58 117.97 3gqb h GLU 342 Ca 0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3gqb h GLU 342 Cb 1.50 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3gqb h GLU 342 CO -0.09 0.73 -0.28 1.28 -0.73 0.00 0.00 179.01 179.92 3gqb n LEU 343 N -4.44 0.63 -0.06 1.64 4.77 -0.73 -3.86 117.00 114.96 3gqb n LEU 343 Ca 0.12 0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 56.33 3gqb n LEU 343 Cb 0.10 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 3gqb n LEU 343 CO 0.35 -0.08 0.46 -0.74 -1.33 0.00 0.00 177.39 176.05 3gqb h HIS 344 N 0.00 0.76 0.23 -1.77 2.76 -0.85 -1.14 115.15 115.15 3gqb h HIS 344 Ca 0.00 -0.28 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 3gqb h HIS 344 Cb 0.68 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3gqb h HIS 344 CO 0.00 1.04 -0.11 0.07 -1.30 0.00 0.00 177.93 177.63 3gqb h ARG 345 N 0.26 -0.30 0.00 5.26 -0.00 -1.63 -2.89 114.38 115.08 3gqb h ARG 345 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 3gqb h ARG 345 Cb 1.02 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 3gqb h ARG 345 CO 0.09 0.06 0.00 1.63 -0.00 0.00 0.00 179.97 181.75 3gqb n LYS 346 N -5.04 0.00 -0.99 0.08 5.02 -1.25 -4.62 118.16 111.35 3gqb n LYS 346 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3gqb n LYS 346 Cb 0.26 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3gqb n LYS 346 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqb n GLY 347 N -0.40 0.60 3.77 0.72 0.00 -1.09 -5.01 105.19 103.78 3gqb n GLY 347 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3gqb n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqb s ILE 348 N -2.46 4.30 -0.06 -0.61 1.01 -0.43 -5.03 121.20 117.92 3gqb s ILE 348 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 3gqb s ILE 348 Cb 0.00 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.29 3gqb s ILE 348 CO 0.00 0.51 0.19 -0.47 0.00 0.00 0.00 174.94 175.16 3gqb s TYR 349 N -1.09 -0.18 -0.15 3.97 5.04 -1.26 -3.99 117.35 119.69 3gqb s TYR 349 Ca 0.38 0.42 -0.29 0.00 -2.44 0.00 0.00 57.07 55.13 3gqb s TYR 349 Cb -0.24 0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.11 3gqb s TYR 349 CO 0.28 -0.13 1.27 -2.14 -1.34 0.00 0.00 175.55 173.49 3gqb s PRO 350 N -0.11 4.24 -0.23 4.97 0.02 -1.26 -1.69 135.00 140.94 3gqb s PRO 350 Ca -0.02 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 62.39 3gqb s PRO 350 Cb -0.02 -3.75 -0.33 0.00 0.02 0.00 0.00 34.50 30.42 3gqb s PRO 350 CO 0.00 -0.68 1.69 -0.35 -0.33 0.00 0.00 177.00 177.34 3gqb n PRO 351 N 6.45 0.24 -3.85 5.54 -0.04 -1.26 -4.83 135.00 137.26 3gqb n PRO 351 Ca 0.14 -1.21 -0.35 0.00 -0.04 0.00 0.00 63.50 62.04 3gqb n PRO 351 Cb 0.45 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 31.07 3gqb n PRO 351 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gqb s ILE 352 N 7.79 3.11 -0.19 0.52 1.01 -1.26 -1.92 121.20 130.26 3gqb s ILE 352 Ca 0.69 -1.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 3gqb s ILE 352 Cb 0.13 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3gqb s ILE 352 CO 0.30 -0.42 0.54 1.51 0.00 0.00 0.00 174.94 176.87 3gqb s ASP 353 N 1.50 6.61 0.54 3.58 3.84 -1.22 -4.95 116.67 126.57 3gqb s ASP 353 Ca 0.03 0.73 0.29 0.00 -0.00 0.00 0.00 52.55 53.60 3gqb s ASP 353 Cb -0.21 -2.31 1.57 0.00 -1.38 0.00 0.00 42.92 40.60 3gqb s ASP 353 CO -0.03 -0.19 2.12 1.55 -0.00 0.00 0.00 175.17 178.62 3gqb h PRO 354 N 7.39 0.00 -0.17 2.11 0.13 -1.93 -3.28 132.00 136.26 3gqb h PRO 354 Ca -0.34 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.61 3gqb h PRO 354 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 3gqb h PRO 354 CO 0.75 0.09 -0.61 -0.07 -0.23 0.00 0.00 178.00 177.93 3gqb h LEU 355 N 0.00 0.83 0.00 1.56 3.38 -1.99 -2.85 115.31 116.24 3gqb h LEU 355 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3gqb h LEU 355 Cb 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gqb h LEU 355 CO 0.01 1.29 -0.07 -2.65 0.09 0.00 0.00 178.44 177.11 3gqb n PRO 356 N -4.08 0.19 -1.99 1.13 -0.02 -1.25 -4.84 135.00 124.14 3gqb n PRO 356 Ca -0.07 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 3gqb n PRO 356 Cb 0.66 -1.71 0.01 0.00 -0.02 0.00 0.00 33.50 32.43 3gqb n PRO 356 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gqb s SER 357 N -4.09 6.25 -0.28 2.55 0.01 -1.08 -4.79 113.70 112.28 3gqb s SER 357 Ca 0.11 1.37 -0.25 0.00 1.31 0.00 0.00 55.95 58.48 3gqb s SER 357 Cb 0.14 -2.45 0.15 0.00 0.21 0.00 0.00 66.02 64.08 3gqb s SER 357 CO 0.59 -0.82 1.20 -0.22 0.41 0.00 0.00 173.24 174.40 3gqb s LEU 358 N -5.07 -0.28 -0.31 2.44 2.96 -0.59 -4.96 118.68 112.87 3gqb s LEU 358 Ca 0.54 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3gqb s LEU 358 Cb -0.11 1.55 0.10 0.00 0.50 0.00 0.00 46.19 48.24 3gqb s LEU 358 CO 0.52 -0.11 0.10 -0.55 -1.32 0.00 0.00 176.35 174.99 3gqb s SER 359 N 0.02 4.01 0.59 3.68 0.15 -1.26 0.51 113.70 121.38 3gqb s SER 359 Ca 0.05 -1.64 0.37 0.00 0.70 0.00 0.00 55.95 55.43 3gqb s SER 359 Cb -0.05 -0.84 1.74 0.00 -1.71 0.00 0.00 66.02 65.16 3gqb s SER 359 CO -0.09 -0.42 2.13 0.03 1.20 0.00 0.00 173.24 176.09 3gqb h ARG 360 N 8.09 0.00 -0.52 5.44 3.08 -1.74 -2.65 114.38 126.07 3gqb h ARG 360 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3gqb h ARG 360 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3gqb h ARG 360 CO 0.47 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.67 3gqb n LEU 361 N -3.17 3.66 0.29 3.04 4.77 -1.26 -4.62 117.00 119.72 3gqb n LEU 361 Ca -0.01 -1.69 -0.17 0.00 -0.03 0.00 0.00 56.01 54.12 3gqb n LEU 361 Cb 0.22 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 3gqb n LEU 361 CO 0.25 0.84 0.65 -0.03 -1.33 0.00 0.00 177.39 177.77 3gqb h MET 362 N 4.43 -0.76 0.00 3.23 4.05 -1.70 -3.10 114.93 121.08 3gqb h MET 362 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3gqb h MET 362 Cb 0.99 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 3gqb h MET 362 CO 0.00 -0.51 0.11 0.09 0.23 0.00 0.00 176.91 176.83 3gqb n ASN 363 N -5.46 0.03 -0.70 1.39 3.02 -1.26 0.12 115.26 112.41 3gqb n ASN 363 Ca -0.12 0.41 0.07 0.00 -0.03 0.00 0.00 54.58 54.91 3gqb n ASN 363 Cb 0.35 -0.41 0.20 0.00 -0.61 0.00 0.00 39.78 39.31 3gqb n ASN 363 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3gqb n ASN 364 N -1.44 3.34 0.00 6.41 6.94 -1.17 -4.54 115.26 124.80 3gqb n ASN 364 Ca -0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 54.58 51.95 3gqb n ASN 364 Cb 0.11 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 3gqb n ASN 364 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gqb n GLY 365 N -0.22 0.02 3.98 4.83 0.00 0.12 -4.13 105.19 109.78 3gqb n GLY 365 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3gqb n GLY 365 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqb s VAL 366 N -1.34 2.04 0.00 1.61 -7.23 -1.18 -3.61 120.40 110.68 3gqb s VAL 366 Ca 0.00 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 3gqb s VAL 366 Cb 0.00 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3gqb s VAL 366 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3gqb n GLY 367 N -3.22 0.51 3.62 2.32 0.00 -1.25 -4.70 105.19 102.46 3gqb n GLY 367 Ca 0.16 -2.11 -0.57 0.00 0.00 0.00 0.00 46.02 43.50 3gqb n GLY 367 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gqb n LYS 368 N 0.17 0.70 0.00 1.61 2.85 -1.26 -0.44 118.16 121.79 3gqb n LYS 368 Ca 0.00 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 3gqb n LYS 368 Cb 0.00 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 32.53 3gqb n LYS 368 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gqb n GLY 369 N 2.85 3.09 0.31 2.58 0.00 -1.26 -4.76 105.19 108.01 3gqb n GLY 369 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 3gqb n GLY 369 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqb n LYS 370 N -2.00 0.40 0.00 1.61 4.01 0.41 -2.62 118.16 119.97 3gqb n LYS 370 Ca 0.00 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 3gqb n LYS 370 Cb 0.00 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 3gqb n LYS 370 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3gqb n THR 371 N -3.52 0.00 -4.20 -0.18 -2.24 -0.26 -4.67 114.28 99.20 3gqb n THR 371 Ca -0.34 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 3gqb n THR 371 Cb 0.78 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 3gqb n THR 371 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gqb s ARG 372 N 3.66 2.47 0.00 -0.78 3.52 -1.26 -4.75 118.95 121.81 3gqb s ARG 372 Ca 0.00 -1.14 0.29 0.00 -0.13 0.00 0.00 55.73 54.75 3gqb s ARG 372 Cb 0.00 -2.36 1.32 0.00 -1.56 0.00 0.00 34.95 32.34 3gqb s ARG 372 CO 0.00 0.44 1.91 -0.85 -0.81 0.00 0.00 175.30 175.99 3gqb n GLU 373 N -0.38 0.76 0.09 5.12 0.00 -1.26 -2.35 120.64 122.62 3gqb n GLU 373 Ca -0.09 -0.23 0.12 0.00 0.00 0.00 0.00 57.16 56.96 3gqb n GLU 373 Cb 0.56 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.61 3gqb n GLU 373 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 3gqb h ASP 374 N 0.57 0.00 -0.40 -1.84 2.03 -1.96 -3.43 116.42 111.38 3gqb h ASP 374 Ca 0.00 -0.10 0.04 0.00 -0.73 0.00 0.00 57.03 56.24 3gqb h ASP 374 Cb 0.32 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.77 3gqb h ASP 374 CO 0.00 0.05 -0.27 -0.74 -1.03 0.00 0.00 179.24 177.25 3gqb h HIS 375 N 0.00 -0.87 -0.24 4.15 2.76 -1.88 0.06 115.15 119.13 3gqb h HIS 375 Ca 0.00 0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3gqb h HIS 375 Cb 0.88 0.43 -0.07 0.00 1.55 0.00 0.00 27.41 30.20 3gqb h HIS 375 CO 0.00 -0.19 -0.32 -0.22 -1.30 0.00 0.00 177.93 175.90 3gqb h LYS 376 N -0.05 -0.32 -0.49 5.26 3.64 -1.83 0.19 116.57 122.98 3gqb h LYS 376 Ca 0.07 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3gqb h LYS 376 Cb 0.21 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3gqb h LYS 376 CO -0.40 -0.21 0.22 1.96 -2.27 0.00 0.00 179.45 178.74 3gqb h GLN 377 N -0.33 0.71 -0.55 1.90 4.20 -1.75 -2.25 115.11 117.04 3gqb h GLN 377 Ca 0.13 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3gqb h GLN 377 Cb 0.54 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3gqb h GLN 377 CO -0.42 0.61 0.34 0.28 -0.67 0.00 0.00 178.83 178.97 3gqb h VAL 378 N 0.64 1.16 -0.78 -0.54 2.07 -0.27 -0.16 116.25 118.37 3gqb h VAL 378 Ca 0.17 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3gqb h VAL 378 Cb 0.15 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3gqb h VAL 378 CO -0.02 0.16 0.51 -1.28 0.02 0.00 0.00 177.57 176.96 3gqb h SER 379 N 0.74 0.86 -0.30 0.57 0.87 -0.81 0.16 113.55 115.63 3gqb h SER 379 Ca 0.20 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3gqb h SER 379 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3gqb h SER 379 CO -0.04 0.61 0.02 0.44 -0.53 0.00 0.00 176.83 177.33 3gqb h ASP 380 N 1.01 0.50 0.22 6.23 5.19 -0.93 -1.38 116.42 127.27 3gqb h ASP 380 Ca 0.30 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3gqb h ASP 380 Cb -0.05 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 3gqb h ASP 380 CO -0.09 0.66 -0.23 -0.61 -3.12 0.00 0.00 179.24 175.86 3gqb h GLN 381 N 0.32 -0.47 -0.87 3.56 5.75 -0.50 0.16 115.11 123.06 3gqb h GLN 381 Ca 0.09 0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.80 3gqb h GLN 381 Cb 0.39 0.11 -0.11 0.00 1.07 0.00 0.00 27.48 28.94 3gqb h GLN 381 CO 0.01 -0.31 0.42 -0.07 -2.65 0.00 0.00 178.83 176.23 3gqb h LEU 382 N -0.48 0.44 0.00 -2.39 3.38 -0.63 0.64 115.31 116.26 3gqb h LEU 382 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gqb h LEU 382 Cb 0.46 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3gqb h LEU 382 CO -0.06 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3gqb n TYR 383 N -4.94 0.00 0.00 1.13 9.36 -0.53 -2.82 117.16 119.36 3gqb n TYR 383 Ca 0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.41 3gqb n TYR 383 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 3gqb n TYR 383 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3gqb n SER 384 N -0.22 0.00 0.00 2.98 2.88 0.52 0.27 113.62 120.04 3gqb n SER 384 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3gqb n SER 384 Cb 0.00 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 63.78 3gqb n SER 384 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gqb n ALA 385 N -3.30 1.70 -0.12 -1.46 0.00 0.22 0.18 120.51 117.72 3gqb n ALA 385 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 3gqb n ALA 385 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 3gqb n ALA 385 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3gqb n TYR 386 N -1.44 0.00 -0.13 0.00 9.36 0.75 -2.46 117.16 123.24 3gqb n TYR 386 Ca 0.04 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.22 3gqb n TYR 386 Cb 0.15 -0.92 0.04 0.00 -0.63 0.00 0.00 39.34 37.98 3gqb n TYR 386 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gqb h ALA 387 N -0.14 0.52 -0.18 2.98 0.00 -1.22 1.68 119.26 122.90 3gqb h ALA 387 Ca -0.55 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3gqb h ALA 387 Cb 1.78 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3gqb h ALA 387 CO -0.13 -0.23 -0.22 -0.97 0.00 0.00 0.00 179.25 177.70 3gqb h ASN 388 N 0.32 0.31 0.68 0.00 -1.24 -0.45 -1.99 115.58 113.22 3gqb h ASN 388 Ca 0.20 -0.09 -0.25 0.00 0.71 0.00 0.00 56.30 56.87 3gqb h ASN 388 Cb 0.19 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 3gqb h ASN 388 CO -0.20 0.55 -1.16 1.23 -1.29 0.00 0.00 177.43 176.56 3gqb h GLY 389 N 0.95 0.26 1.12 1.57 0.00 -1.01 -3.28 103.07 102.67 3gqb h GLY 389 Ca 0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.58 3gqb h GLY 389 CO 0.04 0.55 -0.49 -2.08 0.00 0.00 0.00 176.54 174.56 3gqb h VAL 390 N 0.07 1.28 0.00 4.60 2.07 0.26 -3.14 116.25 121.38 3gqb h VAL 390 Ca -0.10 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3gqb h VAL 390 Cb 1.88 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3gqb h VAL 390 CO 0.18 0.55 0.00 0.44 0.02 0.00 0.00 177.57 178.76 3gqb h ASP 391 N 0.65 0.00 0.32 0.57 3.32 -1.46 -1.62 116.42 118.19 3gqb h ASP 391 Ca 0.02 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.77 3gqb h ASP 391 Cb 1.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.67 3gqb h ASP 391 CO 0.11 0.00 -1.31 0.40 -1.72 0.00 0.00 179.24 176.72 3gqb h ILE 392 N 0.00 1.35 -0.87 0.35 1.08 -1.61 -3.07 117.51 114.74 3gqb h ILE 392 Ca 0.00 -2.70 0.12 0.00 -0.39 0.00 0.00 64.86 61.89 3gqb h ILE 392 Cb 0.35 2.86 -0.08 0.00 -3.07 0.00 0.00 36.82 36.88 3gqb h ILE 392 CO 0.00 0.81 0.49 0.03 -0.69 0.00 0.00 178.15 178.79 3gqb h ARG 393 N 0.18 0.74 -0.20 2.37 3.08 -1.26 -0.74 114.38 118.55 3gqb h ARG 393 Ca -0.19 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 3gqb h ARG 393 Cb 2.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.87 3gqb h ARG 393 CO 0.24 0.49 -0.28 0.87 -1.07 0.00 0.00 179.97 180.23 3gqb h LYS 394 N 0.77 0.38 -0.56 0.04 1.57 -1.55 -3.02 116.57 114.19 3gqb h LYS 394 Ca 0.44 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 3gqb h LYS 394 Cb 0.50 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3gqb h LYS 394 CO -0.29 0.63 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.12 3gqb h LEU 395 N 0.34 0.98 -4.81 2.94 4.07 -1.07 -3.30 115.31 114.46 3gqb h LEU 395 Ca 0.05 -0.28 -0.63 0.00 0.08 0.00 0.00 57.88 57.09 3gqb h LEU 395 Cb 0.67 -0.26 -0.39 0.00 1.08 0.00 0.00 40.66 41.76 3gqb h LEU 395 CO 0.05 1.05 -0.31 0.52 -1.08 0.00 0.00 178.44 178.67 3gqb n VAL 396 N -4.17 2.89 0.00 1.22 0.31 -0.72 -4.94 118.33 112.91 3gqb n VAL 396 Ca 0.03 -4.98 0.00 0.00 -0.01 0.00 0.00 64.34 59.37 3gqb n VAL 396 Cb 0.35 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 3gqb n VAL 396 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqb n ALA 397 N -0.43 0.00 0.09 3.52 0.00 -1.15 -4.75 120.51 117.79 3gqb n ALA 397 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.67 3gqb n ALA 397 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 3gqb n ALA 397 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gqb h ILE 398 N 0.00 1.34 0.00 0.00 2.04 -1.89 -3.41 117.51 115.59 3gqb h ILE 398 Ca 0.00 -2.91 -0.11 0.00 1.00 0.00 0.00 64.86 62.83 3gqb h ILE 398 Cb 0.00 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3gqb h ILE 398 CO 0.00 0.85 -0.68 0.40 0.00 0.00 0.00 178.15 178.72 3gqb h ILE 399 N 0.08 0.96 -2.69 -0.67 2.04 -1.96 -3.47 117.51 111.80 3gqb h ILE 399 Ca -0.19 -1.96 -0.17 0.00 1.00 0.00 0.00 64.86 63.54 3gqb h ILE 399 Cb 2.01 2.06 -0.30 0.00 -0.74 0.00 0.00 36.82 39.85 3gqb h ILE 399 CO 0.20 0.33 -0.46 -0.83 0.00 0.00 0.00 178.15 177.38 3gqb s GLY 400 N -4.47 -0.22 0.48 5.37 0.00 -1.26 -5.15 107.32 102.06 3gqb s GLY 400 Ca -0.22 1.16 -0.19 0.00 0.00 0.00 0.00 44.72 45.47 3gqb s GLY 400 CO 0.52 2.17 0.99 1.85 0.00 0.00 0.00 173.10 178.63 3gqb s GLU 401 N 2.50 3.97 0.00 2.90 2.12 -1.26 -4.21 118.70 124.72 3gqb s GLU 401 Ca 0.00 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3gqb s GLU 401 Cb -0.12 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.13 3gqb s GLU 401 CO -0.10 -0.26 0.00 -0.25 -0.54 0.00 0.00 175.26 174.10 3gqb n ASP 402 N -1.06 -1.76 -3.50 -1.70 9.92 -1.26 -4.98 116.55 112.21 3gqb n ASP 402 Ca 0.08 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.94 3gqb n ASP 402 Cb 0.53 -0.41 -0.00 0.00 -0.64 0.00 0.00 41.12 40.60 3gqb n ASP 402 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gqb n ALA 403 N -0.16 6.75 -3.16 2.24 0.00 -1.26 -4.94 120.51 119.97 3gqb n ALA 403 Ca 0.00 -4.09 -0.12 0.00 0.00 0.00 0.00 53.44 49.23 3gqb n ALA 403 Cb 0.18 -2.79 -0.10 0.00 0.00 0.00 0.00 19.45 16.74 3gqb n ALA 403 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gqb s LEU 404 N -1.98 1.20 0.00 0.00 2.96 -1.26 -4.86 118.68 114.74 3gqb s LEU 404 Ca 0.54 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3gqb s LEU 404 Cb 0.18 0.94 0.00 0.00 0.50 0.00 0.00 46.19 47.81 3gqb s LEU 404 CO -0.09 -0.37 0.00 0.35 -1.32 0.00 0.00 176.35 174.93 3gqb n THR 405 N 1.57 0.00 -0.01 3.68 -2.24 -1.26 -4.94 114.28 111.08 3gqb n THR 405 Ca -0.21 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 3gqb n THR 405 Cb 0.56 -1.96 -0.04 0.00 -2.10 0.00 0.00 70.33 66.80 3gqb n THR 405 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gqb h GLU 406 N 0.00 -0.09 -0.02 -0.78 4.22 -2.02 -3.29 114.58 112.60 3gqb h GLU 406 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 3gqb h GLU 406 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3gqb h GLU 406 CO 0.00 0.16 0.01 -0.97 -2.18 0.00 0.00 179.01 176.03 3gqb h ASN 407 N -1.00 0.02 0.39 1.04 -1.24 -2.00 -2.04 115.58 110.75 3gqb h ASN 407 Ca -0.01 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.92 3gqb h ASN 407 Cb 0.30 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.34 3gqb h ASN 407 CO 0.02 0.10 0.00 0.47 -1.29 0.00 0.00 177.43 176.72 3gqb n ASP 408 N -5.04 0.61 0.09 1.15 8.00 -1.26 0.06 116.55 120.15 3gqb n ASP 408 Ca -0.07 0.71 -0.02 0.00 0.71 0.00 0.00 54.79 56.12 3gqb n ASP 408 Cb 0.07 -0.81 0.24 0.00 -0.02 0.00 0.00 41.12 40.59 3gqb n ASP 408 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3gqb h ARG 409 N 0.00 0.26 0.01 -1.24 2.47 -1.44 -3.08 114.38 111.36 3gqb h ARG 409 Ca 0.00 -0.12 -0.28 0.00 -1.26 0.00 0.00 59.98 58.33 3gqb h ARG 409 Cb 0.20 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 3gqb h ARG 409 CO 0.00 0.60 -1.57 0.00 0.56 0.00 0.00 179.97 179.56 3gqb h ARG 410 N 0.22 0.02 0.00 0.04 3.08 -0.31 -2.88 114.38 114.55 3gqb h ARG 410 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gqb h ARG 410 Cb 0.77 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3gqb h ARG 410 CO 0.06 0.64 0.00 1.88 -1.07 0.00 0.00 179.97 181.48 3gqb h TYR 411 N 0.00 0.00 0.00 3.04 -1.99 -1.53 -3.11 116.97 113.39 3gqb h TYR 411 Ca -0.23 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.47 3gqb h TYR 411 Cb 1.97 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.69 3gqb h TYR 411 CO 0.00 0.00 -0.15 1.25 -0.00 0.00 0.00 178.16 179.26 3gqb h LEU 412 N 0.00 0.01 0.00 3.88 5.85 -1.42 -3.29 115.31 120.33 3gqb h LEU 412 Ca 0.00 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.77 3gqb h LEU 412 Cb 0.30 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3gqb h LEU 412 CO 0.00 1.06 0.00 0.00 -0.34 0.00 0.00 178.44 179.16 3gqb n GLN 413 N -4.58 0.26 0.08 1.25 3.00 -1.10 -1.68 117.38 114.60 3gqb n GLN 413 Ca -0.12 0.12 0.12 0.00 -0.01 0.00 0.00 57.00 57.10 3gqb n GLN 413 Cb 0.51 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 29.41 3gqb n GLN 413 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3gqb h PHE 414 N 0.00 0.00 0.14 1.08 3.04 -1.62 -3.22 116.94 116.37 3gqb h PHE 414 Ca 0.00 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.59 3gqb h PHE 414 Cb 0.14 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3gqb h PHE 414 CO 0.00 0.00 -1.93 0.00 -2.02 0.00 0.00 178.31 174.36 3gqb h ALA 415 N 2.40 0.35 0.02 2.41 0.00 -1.39 -3.06 119.26 119.98 3gqb h ALA 415 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 3gqb h ALA 415 Cb 0.80 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3gqb h ALA 415 CO 0.00 1.23 -0.02 -0.44 0.00 0.00 0.00 179.25 180.02 3gqb h ASP 416 N 0.08 -0.06 1.26 0.00 3.32 -1.65 -3.02 116.42 116.36 3gqb h ASP 416 Ca -0.40 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 3gqb h ASP 416 Cb 2.06 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.61 3gqb h ASP 416 CO 0.12 -0.04 -0.77 0.00 -1.72 0.00 0.00 179.24 176.83 3gqb h ALA 417 N 0.93 0.65 -0.41 3.45 0.00 -1.75 -2.63 119.26 119.51 3gqb h ALA 417 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.42 3gqb h ALA 417 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gqb h ALA 417 CO -0.01 0.73 0.28 0.35 0.00 0.00 0.00 179.25 180.60 3gqb h PHE 418 N 0.00 0.18 0.08 0.00 3.04 -1.55 0.81 116.94 119.51 3gqb h PHE 418 Ca -0.04 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 3gqb h PHE 418 Cb 1.45 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.90 3gqb h PHE 418 CO 0.00 0.09 -0.04 0.93 -2.02 0.00 0.00 178.31 177.27 3gqb h GLU 419 N 0.18 -0.10 -1.13 1.11 5.08 -1.40 -0.10 114.58 118.21 3gqb h GLU 419 Ca 0.19 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.87 3gqb h GLU 419 Cb 0.52 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 3gqb h GLU 419 CO -0.03 -0.07 0.78 -0.09 -1.00 0.00 0.00 179.01 178.60 3gqb h ARG 420 N -0.32 0.14 0.00 2.33 9.65 -1.40 0.29 114.38 125.07 3gqb h ARG 420 Ca -0.01 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.75 3gqb h ARG 420 Cb 0.08 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3gqb h ARG 420 CO 0.02 0.09 -1.10 1.19 2.80 0.00 0.00 179.97 182.97 3gqb n PHE 421 N -4.36 0.00 0.00 2.20 0.99 0.27 -4.48 117.46 112.08 3gqb n PHE 421 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 3gqb n PHE 421 Cb 1.12 -0.39 0.00 0.00 -1.00 0.00 0.00 39.48 39.21 3gqb n PHE 421 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3gqb n PHE 422 N -3.88 0.00 -0.29 1.38 -0.00 -0.93 -4.14 117.46 109.59 3gqb n PHE 422 Ca -0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.31 3gqb n PHE 422 Cb 0.47 -0.35 0.17 0.00 -0.00 0.00 0.00 39.48 39.77 3gqb n PHE 422 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3gqb h ILE 423 N 0.00 0.91 -2.98 -2.13 2.04 -0.84 -3.36 117.51 111.14 3gqb h ILE 423 Ca 0.00 -0.27 -0.77 0.00 1.00 0.00 0.00 64.86 64.82 3gqb h ILE 423 Cb 0.00 0.05 -0.23 0.00 -0.74 0.00 0.00 36.82 35.89 3gqb h ILE 423 CO 0.00 0.14 0.80 0.21 0.00 0.00 0.00 178.15 179.30 3gqb s ASN 424 N -5.61 7.15 0.00 1.72 2.47 0.99 -4.14 114.94 117.53 3gqb s ASN 424 Ca -0.12 -3.22 0.12 0.00 0.42 0.00 0.00 52.86 50.06 3gqb s ASN 424 Cb 0.19 -2.29 0.06 0.00 -1.45 0.00 0.00 41.25 37.76 3gqb s ASN 424 CO 0.78 -0.53 0.81 0.00 -3.72 0.00 0.00 177.10 174.45 3gqb n GLN 425 N 4.14 1.26 0.00 0.43 10.64 -1.11 -4.56 117.38 128.19 3gqb n GLN 425 Ca 0.28 -1.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.45 3gqb n GLN 425 Cb 0.42 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.60 3gqb n GLN 425 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3gqb n GLY 426 N 0.82 1.37 0.06 2.61 0.00 -0.68 -1.83 105.19 107.53 3gqb n GLY 426 Ca 0.06 0.41 0.08 0.00 0.00 0.00 0.00 46.02 46.56 3gqb n GLY 426 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gqb n GLN 427 N 0.30 1.65 -2.20 1.61 1.13 -1.26 -4.46 117.38 114.15 3gqb n GLN 427 Ca 0.00 -2.31 -0.41 0.00 -1.94 0.00 0.00 57.00 52.34 3gqb n GLN 427 Cb 0.00 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 28.95 3gqb n GLN 427 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3gqb s GLN 428 N -2.41 4.38 -0.85 -1.09 -0.21 -0.76 -4.97 119.66 113.75 3gqb s GLN 428 Ca 0.24 2.09 -0.18 0.00 0.02 0.00 0.00 55.36 57.53 3gqb s GLN 428 Cb 0.21 -3.17 0.14 0.00 1.00 0.00 0.00 33.01 31.20 3gqb s GLN 428 CO 0.02 -0.24 0.99 1.21 -2.12 0.00 0.00 175.29 175.15 3gqb s ASN 429 N 0.17 6.58 -0.25 5.90 2.47 -1.26 -4.80 114.94 123.75 3gqb s ASN 429 Ca 0.55 -2.05 -0.22 0.00 0.42 0.00 0.00 52.86 51.56 3gqb s ASN 429 Cb -0.37 -2.35 -0.01 0.00 -1.45 0.00 0.00 41.25 37.07 3gqb s ASN 429 CO 0.41 -0.99 0.70 -0.13 -3.72 0.00 0.00 177.10 173.38 3gqb s ARG 430 N 2.22 4.14 0.62 0.43 0.52 -0.80 -5.01 118.95 121.05 3gqb s ARG 430 Ca 0.26 0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 55.99 3gqb s ARG 430 Cb -0.09 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 3gqb s ARG 430 CO -0.06 -0.45 1.17 -1.54 0.02 0.00 0.00 175.30 174.44 3gqb s SER 431 N 1.42 5.13 0.38 0.23 1.04 -1.26 -4.11 113.70 116.52 3gqb s SER 431 Ca 0.29 2.27 0.17 0.00 0.48 0.00 0.00 55.95 59.16 3gqb s SER 431 Cb -0.15 -2.58 1.06 0.00 0.10 0.00 0.00 66.02 64.45 3gqb s SER 431 CO 0.08 -1.63 1.76 -0.29 0.98 0.00 0.00 173.24 174.14 3gqb h ILE 432 N 0.61 0.51 -0.19 -1.02 -0.00 -1.97 0.83 117.51 116.27 3gqb h ILE 432 Ca -0.49 -0.15 -0.02 0.00 -0.00 0.00 0.00 64.86 64.20 3gqb h ILE 432 Cb 1.28 0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.14 3gqb h ILE 432 CO 0.54 0.08 0.05 -0.33 -0.00 0.00 0.00 178.15 178.50 3gqb h GLU 433 N 0.43 0.31 -0.34 2.19 3.07 -1.98 0.32 114.58 118.57 3gqb h GLU 433 Ca 0.61 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.37 3gqb h GLU 433 Cb 1.47 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.32 3gqb h GLU 433 CO -0.34 0.42 0.06 0.93 -1.40 0.00 0.00 179.01 178.68 3gqb h GLU 434 N 0.13 0.50 -0.55 2.33 5.08 -1.34 0.23 114.58 120.96 3gqb h GLU 434 Ca 0.06 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3gqb h GLU 434 Cb 0.25 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gqb h GLU 434 CO -0.00 0.49 -0.08 0.77 -1.00 0.00 0.00 179.01 179.19 3gqb h SER 435 N 0.49 1.02 1.69 1.42 0.02 -0.71 -1.80 113.55 115.68 3gqb h SER 435 Ca 0.11 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3gqb h SER 435 Cb 0.23 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3gqb h SER 435 CO 0.00 1.12 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.72 3gqb h LEU 436 N 0.91 0.00 0.00 5.07 3.38 -0.06 -1.04 115.31 123.57 3gqb h LEU 436 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3gqb h LEU 436 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3gqb h LEU 436 CO 0.04 0.00 -0.04 -0.61 0.09 0.00 0.00 178.44 177.93 3gqb h GLN 437 N 0.00 0.02 -0.86 1.13 4.15 -0.41 -2.35 115.11 116.79 3gqb h GLN 437 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 3gqb h GLN 437 Cb 0.85 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 3gqb h GLN 437 CO 0.00 0.83 0.43 0.82 -1.93 0.00 0.00 178.83 178.97 3gqb h ILE 438 N -0.77 1.26 -0.67 2.39 2.04 -1.35 -1.01 117.51 119.39 3gqb h ILE 438 Ca -0.00 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.24 3gqb h ILE 438 Cb 0.84 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 3gqb h ILE 438 CO 0.01 0.31 0.32 0.00 0.00 0.00 0.00 178.15 178.79 3gqb h ALA 439 N 1.23 0.91 0.00 1.87 0.00 -1.26 0.17 119.26 122.19 3gqb h ALA 439 Ca 0.30 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 3gqb h ALA 439 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gqb h ALA 439 CO -0.04 -0.08 -0.63 -1.49 0.00 0.00 0.00 179.25 177.01 3gqb h TRP 440 N 0.56 0.00 0.00 0.00 4.06 -0.78 0.28 115.95 120.07 3gqb h TRP 440 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 3gqb h TRP 440 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 3gqb h TRP 440 CO -0.12 0.63 -0.52 0.00 -3.56 0.00 0.00 178.44 174.87 3gqb h ALA 441 N 1.37 0.68 0.03 1.49 0.00 -0.65 -2.60 119.26 119.58 3gqb h ALA 441 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gqb h ALA 441 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gqb h ALA 441 CO 0.08 0.00 -0.28 -0.07 0.00 0.00 0.00 179.25 178.98 3gqb h LEU 442 N 0.00 0.20 -0.01 0.00 3.38 -0.43 -3.37 115.31 115.09 3gqb h LEU 442 Ca 0.00 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.12 3gqb h LEU 442 Cb 0.80 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3gqb h LEU 442 CO 0.00 1.06 -0.33 -0.07 0.09 0.00 0.00 178.44 179.19 3gqb h LEU 443 N -0.64 -1.00 0.00 1.67 3.38 -0.99 -2.90 115.31 114.84 3gqb h LEU 443 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gqb h LEU 443 Cb 1.13 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3gqb h LEU 443 CO 0.05 -0.39 0.00 -1.20 0.09 0.00 0.00 178.44 176.99 3gqb n SER 444 N -5.42 0.00 -0.17 -0.43 7.64 -0.98 0.16 113.62 114.42 3gqb n SER 444 Ca -0.05 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.74 3gqb n SER 444 Cb 0.33 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.57 3gqb n SER 444 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3gqb h MET 445 N 0.00 0.99 -7.20 1.43 2.86 -1.69 -3.43 114.93 107.89 3gqb h MET 445 Ca 0.00 -0.35 -0.49 0.00 -2.06 0.00 0.00 59.70 56.81 3gqb h MET 445 Cb 0.00 -0.07 0.05 0.00 0.06 0.00 0.00 31.60 31.63 3gqb h MET 445 CO 0.00 1.03 0.38 -0.51 1.06 0.00 0.00 176.91 178.86 3gqb s LEU 446 N -9.19 3.53 0.78 1.22 1.43 0.12 -5.04 118.68 111.54 3gqb s LEU 446 Ca -0.11 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 3gqb s LEU 446 Cb 0.13 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.89 3gqb s LEU 446 CO 0.85 -0.96 1.08 -2.84 0.23 0.00 0.00 176.35 174.72 3gqb s PRO 447 N -4.10 2.21 0.17 1.29 0.02 -1.26 -4.99 135.00 128.34 3gqb s PRO 447 Ca 0.62 1.00 -0.14 0.00 0.02 0.00 0.00 61.00 62.49 3gqb s PRO 447 Cb -0.14 -1.90 0.10 0.00 0.02 0.00 0.00 34.50 32.58 3gqb s PRO 447 CO 0.35 -1.63 1.79 1.96 -0.33 0.00 0.00 177.00 179.15 3gqb h GLN 448 N -1.11 0.48 0.00 5.54 4.20 -1.97 -2.73 115.11 119.52 3gqb h GLN 448 Ca -0.45 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3gqb h GLN 448 Cb 1.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3gqb h GLN 448 CO 0.54 0.32 0.00 0.41 -0.67 0.00 0.00 178.83 179.43 3gqb n GLY 449 N -1.23 -0.78 0.10 3.46 0.00 -1.26 -2.33 105.19 103.15 3gqb n GLY 449 Ca 0.03 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3gqb n GLY 449 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqb n GLU 450 N -1.40 0.61 -2.29 1.61 1.02 -1.03 -4.52 120.64 114.64 3gqb n GLU 450 Ca 0.04 0.11 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 3gqb n GLU 450 Cb 0.11 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 3gqb n GLU 450 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gqb s LEU 451 N -5.36 3.39 0.18 -4.62 1.43 -0.98 -4.75 118.68 107.96 3gqb s LEU 451 Ca -0.02 -1.94 0.21 0.00 -1.03 0.00 0.00 54.13 51.36 3gqb s LEU 451 Cb 0.10 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 3gqb s LEU 451 CO 0.80 -2.25 1.01 0.11 0.23 0.00 0.00 176.35 176.26 3gqb h LYS 452 N 8.92 0.00 -0.40 1.70 1.57 -1.85 -3.30 116.57 123.20 3gqb h LYS 452 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3gqb h LYS 452 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3gqb h LYS 452 CO 1.33 0.06 0.00 0.54 -0.57 0.00 0.00 179.45 180.80 3gqb n ARG 453 N -2.73 1.93 -5.00 3.15 5.12 -1.26 -4.84 116.66 113.03 3gqb n ARG 453 Ca -0.02 -1.29 -0.29 0.00 -1.93 0.00 0.00 57.85 54.32 3gqb n ARG 453 Cb 0.61 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.40 3gqb n ARG 453 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gqb s ILE 454 N -1.56 1.72 0.22 0.55 1.01 -1.25 -4.65 121.20 117.24 3gqb s ILE 454 Ca 0.24 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 3gqb s ILE 454 Cb 0.13 -1.50 -0.12 0.00 0.01 0.00 0.00 42.46 40.98 3gqb s ILE 454 CO 0.15 0.49 1.71 -1.54 0.00 0.00 0.00 174.94 175.74 3gqb n SER 455 N 3.50 3.97 -0.36 3.58 3.41 -1.26 -4.86 113.62 121.59 3gqb n SER 455 Ca -0.20 1.07 0.29 0.00 -0.26 0.00 0.00 58.87 59.77 3gqb n SER 455 Cb 0.53 -1.57 0.54 0.00 -0.26 0.00 0.00 64.21 63.44 3gqb n SER 455 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gqb h LYS 456 N 6.50 0.21 -0.01 4.33 1.79 -1.97 -1.49 116.57 125.93 3gqb h LYS 456 Ca -0.44 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3gqb h LYS 456 Cb 1.21 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3gqb h LYS 456 CO 0.94 0.14 -0.01 0.38 -1.08 0.00 0.00 179.45 179.81 3gqb h ASP 457 N 0.21 0.02 -0.95 0.86 2.03 -2.01 -3.24 116.42 113.33 3gqb h ASP 457 Ca 0.76 -0.53 0.22 0.00 -0.73 0.00 0.00 57.03 56.76 3gqb h ASP 457 Cb 2.00 -0.01 -0.18 0.00 -0.83 0.00 0.00 39.33 40.32 3gqb h ASP 457 CO -0.55 0.54 -0.12 0.45 -1.03 0.00 0.00 179.24 178.53 3gqb h HIS 458 N -0.50 -0.30 -0.23 4.15 3.86 -1.64 0.16 115.15 120.64 3gqb h HIS 458 Ca 0.00 0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3gqb h HIS 458 Cb 0.54 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 3gqb h HIS 458 CO 0.11 -0.41 -0.15 0.82 0.86 0.00 0.00 177.93 179.16 3gqb h ILE 459 N 0.01 0.00 -0.23 2.45 2.04 -1.60 -1.80 117.51 118.38 3gqb h ILE 459 Ca 0.51 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.43 3gqb h ILE 459 Cb 0.90 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3gqb h ILE 459 CO -0.94 0.00 0.43 1.23 0.00 0.00 0.00 178.15 178.87 3gqb h GLY 460 N -0.01 0.00 0.39 5.37 0.00 -0.76 -0.07 103.07 107.99 3gqb h GLY 460 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3gqb h GLY 460 CO -0.23 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 176.70 3gqb h LYS 461 N 0.00 -0.32 -0.02 4.80 1.57 -1.07 -3.37 116.57 118.16 3gqb h LYS 461 Ca 0.11 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3gqb h LYS 461 Cb 0.96 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3gqb h LYS 461 CO -0.00 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 3gqb n TYR 462 N -5.00 0.01 -0.09 -1.35 4.02 -0.82 -4.33 117.16 109.60 3gqb n TYR 462 Ca -0.07 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.90 57.64 3gqb n TYR 462 Cb 0.24 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.43 3gqb n TYR 462 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3gqb n TYR 463 N 0.73 0.35 -0.55 -0.72 9.36 -0.10 -4.76 117.16 121.46 3gqb n TYR 463 Ca 0.08 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.38 3gqb n TYR 463 Cb 0.33 -1.05 0.00 0.00 -0.63 0.00 0.00 39.34 37.99 3gqb n TYR 463 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49