#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 1.04 -5.01 -1.58 5.02 -1.26 -5.02 118.16 111.35 3gqb n LYS 6 Ca 0.00 0.37 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 3gqb n LYS 6 Cb 0.00 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.09 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 -1.73 2.64 -0.25 1.97 0.41 -1.26 -4.58 118.70 115.90 3gqb s GLU 7 Ca 0.62 -0.77 -0.06 0.00 -0.41 0.00 0.00 54.97 54.35 3gqb s GLU 7 Cb -0.62 -2.33 -0.02 0.00 -1.78 0.00 0.00 34.13 29.38 3gqb s GLU 7 CO 0.58 0.48 0.04 0.71 -0.49 0.00 0.00 175.26 176.57 3gqb s TYR 8 N -0.36 3.05 -0.75 1.61 1.51 0.50 -4.92 117.35 117.99 3gqb s TYR 8 Ca 0.03 -0.65 0.11 0.00 -1.01 0.00 0.00 57.07 55.55 3gqb s TYR 8 Cb -0.12 -2.20 -0.06 0.00 -0.11 0.00 0.00 41.96 39.46 3gqb s TYR 8 CO 0.02 -0.44 0.56 0.25 -1.11 0.00 0.00 175.55 174.82 3gqb n THR 9 N 4.88 0.00 -1.49 -0.71 -2.24 -1.26 -0.79 114.28 112.66 3gqb n THR 9 Ca -0.17 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 3gqb n THR 9 Cb 0.51 1.06 -0.02 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 1.10 4.32 3.67 3.38 0.00 -1.26 -4.88 105.19 111.53 3gqb n GLY 10 Ca 0.03 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 2.63 4.95 -0.82 -0.61 1.01 -1.26 0.97 121.20 128.07 3gqb s ILE 11 Ca 0.60 1.47 0.13 0.00 0.00 0.00 0.00 60.65 62.84 3gqb s ILE 11 Cb 0.16 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3gqb s ILE 11 CO -0.07 0.09 0.61 0.35 0.00 0.00 0.00 174.94 175.92 3gqb n THR 12 N 4.55 0.00 -3.63 2.92 -2.24 -0.30 -4.83 114.28 110.76 3gqb n THR 12 Ca 0.02 -0.27 0.02 0.00 -2.27 0.00 0.00 64.05 61.55 3gqb n THR 12 Cb 0.49 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.97 -0.13 -0.05 4.78 5.04 -1.25 -5.00 117.35 118.77 3gqb s TYR 13 Ca 0.07 0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 3gqb s TYR 13 Cb 0.10 0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.50 3gqb s TYR 13 CO 0.44 -0.06 -0.09 0.42 -1.34 0.00 0.00 175.55 174.92 3gqb s ILE 14 N 1.12 0.87 -0.24 3.14 1.01 -1.26 -0.94 121.20 124.90 3gqb s ILE 14 Ca -0.08 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 3gqb s ILE 14 Cb -0.02 -0.82 0.07 0.00 0.01 0.00 0.00 42.46 41.70 3gqb s ILE 14 CO -0.11 0.29 0.61 -0.55 0.00 0.00 0.00 174.94 175.19 3gqb s SER 15 N 0.67 -0.78 1.83 3.58 0.15 -0.15 -5.03 113.70 113.97 3gqb s SER 15 Ca -0.12 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.84 3gqb s SER 15 Cb -0.14 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 3gqb s SER 15 CO 0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.85 3gqb n GLY 16 N 3.91 3.89 0.20 9.45 0.00 -1.26 -1.19 105.19 120.19 3gqb n GLY 16 Ca -0.19 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 14.00 0.67 -3.45 1.61 -0.04 -1.26 -4.73 135.00 141.81 3gqb n PRO 17 Ca 0.00 -0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 62.68 3gqb n PRO 17 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.60 4.37 0.09 1.53 1.43 -0.33 -0.33 118.68 122.84 3gqb s LEU 18 Ca 0.22 0.84 0.10 0.00 -1.03 0.00 0.00 54.13 54.25 3gqb s LEU 18 Cb 0.19 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3gqb s LEU 18 CO 0.56 0.18 -0.25 -1.48 0.23 0.00 0.00 176.35 175.59 3gqb s LEU 19 N -0.27 2.26 -0.12 1.79 0.05 0.36 -0.98 118.68 121.77 3gqb s LEU 19 Ca 0.23 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 53.74 3gqb s LEU 19 Cb -0.16 -1.13 -0.01 0.00 -2.05 0.00 0.00 46.19 42.84 3gqb s LEU 19 CO 0.11 0.17 -0.14 -0.36 -0.55 0.00 0.00 176.35 175.58 3gqb s PHE 20 N -0.99 2.79 -0.12 3.48 0.40 -0.11 -0.29 117.98 123.13 3gqb s PHE 20 Ca 0.11 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 3gqb s PHE 20 Cb -0.10 -1.82 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 3gqb s PHE 20 CO 0.04 -0.19 -0.19 0.08 0.70 0.00 0.00 175.22 175.66 3gqb s VAL 21 N 0.26 2.43 0.76 -0.44 1.01 -0.44 -1.15 120.40 122.82 3gqb s VAL 21 Ca -0.10 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 3gqb s VAL 21 Cb -0.16 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.31 3gqb s VAL 21 CO 0.05 0.54 1.10 -1.61 0.00 0.00 0.00 175.10 175.18 3gqb s GLU 22 N 0.51 2.10 -1.40 2.72 2.02 0.27 -1.10 118.70 123.82 3gqb s GLU 22 Ca -0.12 -0.05 -0.15 0.00 0.02 0.00 0.00 54.97 54.67 3gqb s GLU 22 Cb -0.17 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.03 3gqb s GLU 22 CO 0.05 -1.41 0.28 0.09 0.02 0.00 0.00 175.26 174.28 3gqb n ASN 23 N -3.12 -1.11 -0.44 -0.19 3.02 -1.25 -4.61 115.26 107.56 3gqb n ASN 23 Ca 0.08 -1.29 0.06 0.00 -0.03 0.00 0.00 54.58 53.40 3gqb n ASN 23 Cb 0.61 -1.57 0.10 0.00 -0.61 0.00 0.00 39.78 38.31 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 -4.78 2.47 0.27 5.41 0.00 -1.26 -4.82 120.51 117.80 3gqb n ALA 24 Ca -0.24 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 50.91 3gqb n ALA 24 Cb 0.64 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.78 0.02 0.00 0.00 5.02 -1.26 -0.31 118.16 120.85 3gqb n LYS 25 Ca 0.11 0.78 0.13 0.00 -2.02 0.00 0.00 58.31 57.31 3gqb n LYS 25 Cb 0.72 -2.44 0.29 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.22 2.32 -4.73 4.39 5.68 -1.26 -4.83 116.55 115.90 3gqb n ASP 26 Ca 0.00 -1.77 -0.40 0.00 -0.50 0.00 0.00 54.79 52.12 3gqb n ASP 26 Cb 0.90 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.84 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 -2.00 4.37 0.23 -2.12 1.43 0.57 -5.04 118.68 116.12 3gqb s LEU 27 Ca 0.33 1.27 -0.24 0.00 -1.03 0.00 0.00 54.13 54.46 3gqb s LEU 27 Cb 0.20 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.22 3gqb s LEU 27 CO 0.32 -0.06 0.81 0.00 0.23 0.00 0.00 176.35 177.65 3gqb s ALA 28 N 0.45 3.37 -0.16 4.21 0.00 -1.26 -4.97 121.76 123.39 3gqb s ALA 28 Ca 0.37 0.35 -0.38 0.00 0.00 0.00 0.00 51.96 52.30 3gqb s ALA 28 Cb -0.19 -2.98 -0.15 0.00 0.00 0.00 0.00 23.12 19.80 3gqb s ALA 28 CO 0.20 0.27 1.68 0.98 0.00 0.00 0.00 175.76 178.88 3gqb n TYR 29 N 1.00 1.99 -0.24 0.00 9.36 -1.26 -1.00 117.16 127.01 3gqb n TYR 29 Ca -0.02 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.67 3gqb n TYR 29 Cb 0.50 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 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 3.86 0.85 3.75 2.98 0.00 0.17 -4.98 105.19 111.81 3gqb n GLY 30 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.61 3.73 0.05 4.61 0.00 -0.17 -4.49 121.76 122.88 3gqb s ALA 31 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 3gqb s ALA 31 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 3gqb s ALA 31 CO 0.00 -0.93 1.17 0.42 0.00 0.00 0.00 175.76 176.42 3gqb s ILE 32 N 0.07 4.15 0.20 0.00 -1.09 -0.11 0.08 121.20 124.49 3gqb s ILE 32 Ca 0.63 1.54 0.08 0.00 -2.23 0.00 0.00 60.65 60.68 3gqb s ILE 32 Cb -0.47 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 3gqb s ILE 32 CO 0.46 0.12 -0.16 0.68 -1.23 0.00 0.00 174.94 174.80 3gqb s VAL 33 N 1.10 1.84 0.05 2.92 -7.23 -0.56 -1.41 120.40 117.11 3gqb s VAL 33 Ca 0.58 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3gqb s VAL 33 Cb -0.28 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3gqb s VAL 33 CO 0.29 -0.48 0.06 -1.81 -0.31 0.00 0.00 175.10 172.85 3gqb s ASP 34 N -3.11 5.48 -0.11 4.85 -0.00 0.67 -2.12 116.67 122.34 3gqb s ASP 34 Ca 0.21 0.02 -0.03 0.00 -0.00 0.00 0.00 52.55 52.75 3gqb s ASP 34 Cb -0.03 -1.49 0.04 0.00 -0.00 0.00 0.00 42.92 41.45 3gqb s ASP 34 CO 0.08 0.21 0.06 -0.63 -0.00 0.00 0.00 175.17 174.89 3gqb s ILE 35 N -1.29 0.05 -0.09 0.77 1.01 0.11 -0.68 121.20 121.09 3gqb s ILE 35 Ca 0.26 0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 3gqb s ILE 35 Cb -0.12 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 3gqb s ILE 35 CO 0.18 -0.02 -0.06 -1.59 0.00 0.00 0.00 174.94 173.45 3gqb s LYS 36 N 2.09 2.94 0.52 2.79 -2.85 -0.78 0.12 119.74 124.57 3gqb s LYS 36 Ca 0.03 -0.53 0.08 0.00 -1.00 0.00 0.00 55.97 54.55 3gqb s LYS 36 Cb -0.14 -2.67 0.05 0.00 -2.06 0.00 0.00 37.83 33.02 3gqb s LYS 36 CO -0.06 0.59 0.72 0.16 0.10 0.00 0.00 175.35 176.85 3gqb s ASP 37 N -0.60 5.29 0.18 0.03 3.84 -0.81 -2.34 116.67 122.26 3gqb s ASP 37 Ca 0.09 -0.57 -0.15 0.00 -0.00 0.00 0.00 52.55 51.92 3gqb s ASP 37 Cb -0.12 -0.21 0.15 0.00 -1.38 0.00 0.00 42.92 41.36 3gqb s ASP 37 CO 0.02 -1.13 1.67 1.23 -0.00 0.00 0.00 175.17 176.96 3gqb h GLY 38 N 0.30 0.40 1.22 2.12 0.00 -1.84 -0.69 103.07 104.58 3gqb h GLY 38 Ca -0.35 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3gqb h GLY 38 CO 0.43 -0.15 0.36 -0.91 0.00 0.00 0.00 176.54 176.28 3gqb h THR 39 N 0.05 0.00 0.00 4.70 1.35 -1.93 -3.44 112.91 113.64 3gqb h THR 39 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 3gqb h THR 39 Cb 0.34 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3gqb h THR 39 CO -0.43 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.45 3gqb n GLY 40 N -1.25 1.48 3.74 5.82 0.00 -0.27 -5.06 105.19 109.66 3gqb n GLY 40 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3gqb n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gqb n ARG 41 N -2.00 2.18 -4.77 1.61 0.63 -1.26 -4.74 116.66 108.31 3gqb n ARG 41 Ca 0.00 0.78 -0.31 0.00 -0.92 0.00 0.00 57.85 57.40 3gqb n ARG 41 Cb 0.00 -2.55 -0.13 0.00 0.45 0.00 0.00 32.46 30.22 3gqb n ARG 41 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3gqb s VAL 42 N -1.19 2.67 -0.01 5.15 1.01 -1.26 -1.92 120.40 124.85 3gqb s VAL 42 Ca 0.60 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3gqb s VAL 42 Cb -0.47 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 3gqb s VAL 42 CO 0.58 0.39 0.06 -0.13 0.00 0.00 0.00 175.10 176.00 3gqb s ARG 43 N -1.27 0.24 0.34 2.72 0.52 0.12 -4.93 118.95 116.68 3gqb s ARG 43 Ca 0.13 -0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.10 3gqb s ARG 43 Cb -0.10 0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 3gqb s ARG 43 CO 0.04 -0.04 0.62 0.20 0.02 0.00 0.00 175.30 176.13 3gqb s GLY 44 N -0.67 1.76 0.36 -3.53 0.00 -1.26 0.06 107.32 104.04 3gqb s GLY 44 Ca -0.07 -0.53 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 3gqb s GLY 44 CO 0.00 -0.41 0.71 0.61 0.00 0.00 0.00 173.10 174.01 3gqb n GLY 45 N -1.27 1.15 2.91 0.20 0.00 -0.90 0.77 105.19 108.06 3gqb n GLY 45 Ca -0.01 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 0.06 -0.30 1.61 0.74 -0.65 -1.49 119.66 117.50 3gqb s GLN 46 Ca 0.16 0.15 -0.29 0.00 0.05 0.00 0.00 55.36 55.42 3gqb s GLN 46 Cb -0.04 -0.03 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 3gqb s GLN 46 CO 0.12 -0.05 1.44 0.08 -0.55 0.00 0.00 175.29 176.33 3gqb s VAL 47 N 0.35 3.92 -1.37 1.34 1.01 0.11 -0.85 120.40 124.92 3gqb s VAL 47 Ca -0.03 1.02 0.14 0.00 0.00 0.00 0.00 61.98 63.12 3gqb s VAL 47 Cb -0.04 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3gqb s VAL 47 CO -0.01 -0.47 0.81 2.30 0.00 0.00 0.00 175.10 177.73 3gqb n ILE 48 N 6.49 0.00 -3.57 2.22 -5.35 0.05 0.41 119.36 119.61 3gqb n ILE 48 Ca 0.17 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 3gqb n ILE 48 Cb 0.46 1.19 -0.06 0.00 -1.74 0.00 0.00 39.64 39.49 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 -1.67 0.77 -0.09 6.28 2.12 -1.18 -4.91 118.70 120.02 3gqb s GLU 49 Ca 0.12 0.37 -0.07 0.00 0.36 0.00 0.00 54.97 55.75 3gqb s GLU 49 Cb 0.12 0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.90 3gqb s GLU 49 CO 0.33 -0.20 0.24 0.14 -0.54 0.00 0.00 175.26 175.23 3gqb s VAL 50 N -0.73 -0.01 0.22 3.70 -7.23 -1.26 -0.69 120.40 114.39 3gqb s VAL 50 Ca -0.04 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 3gqb s VAL 50 Cb -0.02 -0.35 -0.00 0.00 0.56 0.00 0.00 36.38 36.58 3gqb s VAL 50 CO 0.03 0.02 0.27 -1.54 -0.31 0.00 0.00 175.10 173.57 3gqb n SER 51 N 3.31 -0.75 -0.26 4.85 3.41 -0.60 -5.00 113.62 118.58 3gqb n SER 51 Ca -0.16 -2.22 -0.04 0.00 -0.26 0.00 0.00 58.87 56.19 3gqb n SER 51 Cb 0.57 1.46 0.13 0.00 -0.26 0.00 0.00 64.21 66.10 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 1.10 -0.09 4.33 5.08 -1.98 -3.28 114.58 119.74 3gqb h GLU 52 Ca -0.16 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 3gqb h GLU 52 Cb 0.74 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3gqb h GLU 52 CO 0.23 0.86 -0.05 0.93 -1.00 0.00 0.00 179.01 179.98 3gqb h GLU 53 N 1.09 0.19 -2.04 2.33 4.39 -1.96 -3.43 114.58 115.15 3gqb h GLU 53 Ca 0.26 -0.09 0.26 0.00 0.34 0.00 0.00 59.36 60.13 3gqb h GLU 53 Cb 0.14 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 3gqb h GLU 53 CO -0.03 0.56 0.71 1.52 -1.16 0.00 0.00 179.01 180.61 3gqb s TYR 54 N -4.51 -0.02 -0.03 4.33 1.13 -1.23 -3.81 117.35 113.20 3gqb s TYR 54 Ca -0.15 -0.21 0.07 0.00 -1.41 0.00 0.00 57.07 55.38 3gqb s TYR 54 Cb 0.04 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.49 3gqb s TYR 54 CO 0.71 -0.55 -0.25 0.00 -2.51 0.00 0.00 175.55 172.94 3gqb s ALA 55 N -2.45 2.14 -0.29 9.51 0.00 -0.26 -1.56 121.76 128.85 3gqb s ALA 55 Ca 0.19 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 3gqb s ALA 55 Cb 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3gqb s ALA 55 CO 0.00 0.49 0.23 0.08 0.00 0.00 0.00 175.76 176.56 3gqb s VAL 56 N -0.45 5.28 -0.12 0.00 1.01 0.13 -1.32 120.40 124.93 3gqb s VAL 56 Ca 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3gqb s VAL 56 Cb -0.11 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3gqb s VAL 56 CO 0.01 0.18 -0.00 -0.63 0.00 0.00 0.00 175.10 174.66 3gqb s ILE 57 N 1.81 4.23 -0.40 2.22 1.01 0.60 -0.77 121.20 129.91 3gqb s ILE 57 Ca 0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 3gqb s ILE 57 Cb -0.16 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.51 3gqb s ILE 57 CO 0.11 0.55 0.28 -1.58 0.00 0.00 0.00 174.94 174.30 3gqb s GLN 58 N -0.34 3.01 0.29 2.79 0.74 -0.03 -0.49 119.66 125.64 3gqb s GLN 58 Ca 0.07 -0.98 -0.29 0.00 0.05 0.00 0.00 55.36 54.20 3gqb s GLN 58 Cb -0.12 -3.92 -0.09 0.00 1.10 0.00 0.00 33.01 29.97 3gqb s GLN 58 CO 0.02 -0.70 1.09 0.08 -0.55 0.00 0.00 175.29 175.23 3gqb s VAL 59 N 1.67 3.51 -0.06 1.34 1.01 0.55 -1.63 120.40 126.78 3gqb s VAL 59 Ca 0.05 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.31 3gqb s VAL 59 Cb -0.19 -3.94 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 3gqb s VAL 59 CO 0.10 0.34 0.90 -0.26 0.00 0.00 0.00 175.10 176.17 3gqb h PHE 60 N 3.73 -0.15 -4.49 5.22 0.04 0.02 -3.47 116.94 117.84 3gqb h PHE 60 Ca -0.47 -0.00 -0.31 0.00 2.80 0.00 0.00 57.97 59.99 3gqb h PHE 60 Cb 1.21 0.05 0.07 0.00 2.20 0.00 0.00 35.95 39.48 3gqb h PHE 60 CO 0.59 0.33 0.12 0.39 -0.60 0.00 0.00 178.31 179.14 3gqb n GLU 61 N -4.88 -0.09 -0.70 1.51 4.71 -1.26 -4.68 120.64 115.24 3gqb n GLU 61 Ca -0.08 -1.76 -0.32 0.00 -0.01 0.00 0.00 57.16 54.99 3gqb n GLU 61 Cb 0.28 -0.56 0.16 0.00 -1.01 0.00 0.00 31.44 30.31 3gqb n GLU 61 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 3gqb n GLU 62 N -2.40 -1.09 -0.00 3.49 0.00 -1.26 -4.93 120.64 114.45 3gqb n GLU 62 Ca 0.11 -0.29 0.09 0.00 0.00 0.00 0.00 57.16 57.08 3gqb n GLU 62 Cb 0.40 -1.84 -0.11 0.00 0.00 0.00 0.00 31.44 29.89 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 -4.13 0.00 -1.63 3.84 5.66 -1.26 -4.96 114.28 111.79 3gqb n THR 63 Ca 0.04 -0.06 -0.57 0.00 -3.05 0.00 0.00 64.05 60.41 3gqb n THR 63 Cb 0.57 0.99 -0.08 0.00 -1.55 0.00 0.00 70.33 70.27 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 -1.45 0.26 0.00 1.09 -1.04 -1.26 -2.12 114.28 109.76 3gqb n THR 64 Ca 0.03 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3gqb n THR 64 Cb 0.29 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 4.88 1.77 3.77 3.41 0.00 -1.26 -5.08 105.19 112.69 3gqb n GLY 65 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 3.94 0.00 0.99 1.43 -0.90 -4.70 118.68 119.44 3gqb s LEU 66 Ca 0.00 2.23 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 3gqb s LEU 66 Cb 0.00 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 3gqb s LEU 66 CO 0.00 -0.96 0.36 -0.90 0.23 0.00 0.00 176.35 175.07 3gqb n ASP 67 N -0.71 -0.96 -0.30 2.29 5.68 -1.26 -5.07 116.55 116.22 3gqb n ASP 67 Ca 0.08 -2.86 0.10 0.00 -0.50 0.00 0.00 54.79 51.61 3gqb n ASP 67 Cb 0.49 1.95 -0.05 0.00 -1.14 0.00 0.00 41.12 42.37 3gqb n ASP 67 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gqb n LEU 68 N 0.00 1.60 -0.06 -2.12 4.77 -1.26 -4.04 117.00 115.90 3gqb n LEU 68 Ca 0.04 -0.66 -0.05 0.00 -0.03 0.00 0.00 56.01 55.30 3gqb n LEU 68 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3gqb n LEU 68 CO 0.28 0.32 -0.88 0.00 -1.33 0.00 0.00 177.39 175.78 3gqb n ALA 69 N -0.57 1.74 -0.56 -1.18 0.00 -1.26 -4.44 120.51 114.23 3gqb n ALA 69 Ca 0.07 -0.76 0.03 0.00 0.00 0.00 0.00 53.44 52.78 3gqb n ALA 69 Cb 0.40 -0.02 0.05 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.42 1.14 -4.31 0.00 -2.24 -1.26 -5.03 114.28 100.16 3gqb n THR 70 Ca -0.19 -1.26 -0.34 0.00 -2.27 0.00 0.00 64.05 59.99 3gqb n THR 70 Cb 0.87 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.46 4.19 -0.01 4.28 2.01 -1.26 -3.60 115.64 119.79 3gqb s THR 71 Ca 0.10 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3gqb s THR 71 Cb 0.09 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 3gqb s THR 71 CO 0.01 0.51 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.41 3gqb s SER 72 N 0.07 1.15 0.15 3.53 1.04 -0.99 -4.60 113.70 114.05 3gqb s SER 72 Ca 0.02 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.31 3gqb s SER 72 Cb -0.13 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3gqb s SER 72 CO 0.02 0.12 0.11 -0.69 0.98 0.00 0.00 173.24 173.78 3gqb s VAL 73 N -0.24 4.41 -0.02 5.02 1.01 0.03 -1.87 120.40 128.74 3gqb s VAL 73 Ca 0.04 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 3gqb s VAL 73 Cb -0.04 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.17 3gqb s VAL 73 CO -0.00 -0.06 0.53 -0.94 0.00 0.00 0.00 175.10 174.63 3gqb s SER 74 N -2.92 -0.47 0.08 3.32 1.04 0.14 -0.37 113.70 114.51 3gqb s SER 74 Ca 0.30 0.43 -0.31 0.00 0.48 0.00 0.00 55.95 56.85 3gqb s SER 74 Cb -0.10 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 3gqb s SER 74 CO 0.23 -0.57 1.58 -0.22 0.98 0.00 0.00 173.24 175.23 3gqb s LEU 75 N -1.35 4.36 -0.22 2.42 2.96 -1.26 -0.23 118.68 125.35 3gqb s LEU 75 Ca -0.11 2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 56.21 3gqb s LEU 75 Cb -0.02 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.91 3gqb s LEU 75 CO 0.06 -0.83 -0.07 0.52 -1.32 0.00 0.00 176.35 174.71 3gqb n VAL 76 N 4.52 1.57 -3.60 1.68 0.31 -0.50 -4.80 118.33 117.51 3gqb n VAL 76 Ca 0.15 -0.57 -0.06 0.00 -0.01 0.00 0.00 64.34 63.85 3gqb n VAL 76 Cb 0.41 -1.55 -0.04 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.36 0.24 5.55 2.12 -0.98 -5.03 118.70 118.44 3gqb s GLU 77 Ca -0.32 0.04 0.13 0.00 0.36 0.00 0.00 54.97 55.18 3gqb s GLU 77 Cb 0.09 0.17 0.04 0.00 0.26 0.00 0.00 34.13 34.68 3gqb s GLU 77 CO 0.64 -0.12 1.42 0.22 -0.54 0.00 0.00 175.26 176.88 3gqb h ASP 78 N 2.27 0.00 -3.74 -1.70 1.82 -1.92 -0.26 116.42 112.88 3gqb h ASP 78 Ca -0.13 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.17 3gqb h ASP 78 Cb 1.18 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.88 3gqb h ASP 78 CO 0.27 0.65 -0.75 -0.69 -1.61 0.00 0.00 179.24 177.10 3gqb s VAL 79 N -2.95 0.35 -0.13 2.25 1.01 -1.26 -3.33 120.40 116.33 3gqb s VAL 79 Ca 0.03 -0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 3gqb s VAL 79 Cb 0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 3gqb s VAL 79 CO 0.76 0.13 2.05 0.00 0.00 0.00 0.00 175.10 178.04 3gqb n ALA 80 N 3.37 1.34 -2.55 5.51 0.00 -1.26 -4.86 120.51 122.05 3gqb n ALA 80 Ca -0.18 0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 3gqb n ALA 80 Cb 0.56 -2.68 -0.11 0.00 0.00 0.00 0.00 19.45 17.22 3gqb n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqb s ARG 81 N 5.15 1.83 -0.06 0.00 0.52 -1.26 -1.65 118.95 123.48 3gqb s ARG 81 Ca 0.97 -1.99 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 3gqb s ARG 81 Cb -0.55 -1.56 0.02 0.00 0.52 0.00 0.00 34.95 33.37 3gqb s ARG 81 CO 0.44 0.03 -0.09 -1.17 0.02 0.00 0.00 175.30 174.54 3gqb s LEU 82 N -3.62 1.49 -0.23 2.53 2.96 0.18 -4.82 118.68 117.18 3gqb s LEU 82 Ca 0.33 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 3gqb s LEU 82 Cb 0.06 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 3gqb s LEU 82 CO 0.17 -0.01 1.86 -0.83 -1.32 0.00 0.00 176.35 176.22 3gqb s GLY 83 N 0.84 0.93 -0.01 7.98 0.00 -1.26 -1.72 107.32 114.08 3gqb s GLY 83 Ca -0.12 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.19 3gqb s GLY 83 CO 0.02 3.34 -0.08 0.54 0.00 0.00 0.00 173.10 176.91 3gqb s VAL 84 N 6.44 0.64 0.06 1.40 0.11 -0.79 -4.91 120.40 123.36 3gqb s VAL 84 Ca 0.83 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 59.55 3gqb s VAL 84 Cb -0.28 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 3gqb s VAL 84 CO 0.33 0.19 0.09 -1.54 -3.33 0.00 0.00 175.10 170.85 3gqb n SER 85 N 3.03 -0.25 -1.04 3.54 3.41 -1.26 -1.56 113.62 119.48 3gqb n SER 85 Ca -0.15 -1.32 0.10 0.00 -0.26 0.00 0.00 58.87 57.24 3gqb n SER 85 Cb 0.56 0.46 0.26 0.00 -0.26 0.00 0.00 64.21 65.23 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 -0.10 2.31 -0.53 4.33 2.85 -1.26 -4.04 118.16 121.72 3gqb n LYS 86 Ca -0.00 -2.03 0.07 0.00 -1.05 0.00 0.00 58.31 55.30 3gqb n LYS 86 Cb 0.10 -1.45 0.29 0.00 -0.65 0.00 0.00 35.03 33.32 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 1.16 3.33 0.00 -1.58 -0.58 -1.26 -4.14 120.64 117.57 3gqb n GLU 87 Ca 0.19 -2.30 0.14 0.00 -0.42 0.00 0.00 57.16 54.77 3gqb n GLU 87 Cb 0.49 -1.83 0.60 0.00 -0.57 0.00 0.00 31.44 30.13 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 0.78 0.68 -1.43 3.49 2.81 -1.26 -4.85 117.12 117.35 3gqb n MET 88 Ca 0.21 -0.23 -0.33 0.00 -1.81 0.00 0.00 57.70 55.53 3gqb n MET 88 Cb 0.78 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.88 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 -2.48 3.26 0.00 4.03 1.43 -1.26 -2.40 118.68 121.26 3gqb s LEU 89 Ca 0.28 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 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 0.48 -2.17 0.00 0.61 0.23 0.00 0.00 176.35 175.50 3gqb n GLY 90 N 0.00 0.36 3.97 -3.19 0.00 0.78 -4.91 105.19 102.20 3gqb n GLY 90 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3gqb n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqb s ARG 91 N -0.43 0.94 -0.29 1.61 1.81 -1.01 -4.86 118.95 116.72 3gqb s ARG 91 Ca 0.00 -0.86 0.02 0.00 -1.72 0.00 0.00 55.73 53.17 3gqb s ARG 91 Cb 0.00 -2.07 0.20 0.00 -0.45 0.00 0.00 34.95 32.63 3gqb s ARG 91 CO 0.00 -2.08 0.69 0.50 -0.68 0.00 0.00 175.30 173.72 3gqb s ARG 92 N -5.58 0.47 0.34 3.54 3.52 -1.26 -3.23 118.95 116.75 3gqb s ARG 92 Ca 0.72 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.85 3gqb s ARG 92 Cb -0.03 0.23 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 3gqb s ARG 92 CO 0.50 -0.86 0.33 1.19 -0.81 0.00 0.00 175.30 175.66 3gqb n PHE 93 N 5.36 -1.56 -4.07 5.12 3.01 0.41 -1.07 117.46 124.67 3gqb n PHE 93 Ca 0.05 -1.35 -0.11 0.00 1.01 0.00 0.00 57.45 57.05 3gqb n PHE 93 Cb 0.55 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.71 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 -2.16 2.22 -0.12 4.37 6.94 -1.07 -1.64 115.26 123.80 3gqb n ASN 94 Ca 0.03 -1.78 -0.03 0.00 -0.02 0.00 0.00 54.58 52.78 3gqb n ASN 94 Cb 0.37 0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.84 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 2.71 -1.51 0.10 4.83 0.00 -1.11 -0.28 105.19 109.93 3gqb n GLY 95 Ca -0.05 0.48 0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.68 0.02 -2.06 -0.61 5.41 -1.26 -4.03 119.36 113.14 3gqb n ILE 96 Ca 0.01 -0.06 -0.02 0.00 1.00 0.00 0.00 62.75 63.68 3gqb n ILE 96 Cb 0.07 -0.24 -0.00 0.00 -0.71 0.00 0.00 39.64 38.77 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 0.95 0.33 3.90 7.39 0.00 0.61 -5.06 105.19 113.32 3gqb n GLY 97 Ca 0.19 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.14 3.49 0.35 1.61 1.02 -1.26 -4.79 119.74 116.03 3gqb s LYS 98 Ca 0.00 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 3gqb s LYS 98 Cb -0.00 -3.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.11 3gqb s LYS 98 CO 0.00 0.66 1.48 -2.14 -0.92 0.00 0.00 175.35 174.43 3gqb s PRO 99 N -1.85 4.16 0.00 -1.68 0.02 -1.26 -2.60 135.00 131.78 3gqb s PRO 99 Ca 0.27 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3gqb s PRO 99 Cb -0.13 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3gqb s PRO 99 CO 0.17 -0.49 0.45 -0.89 -0.33 0.00 0.00 177.00 175.91 3gqb n ILE 100 N 0.89 0.20 0.09 2.83 2.08 -0.23 -4.74 119.36 120.47 3gqb n ILE 100 Ca 0.02 -0.31 0.09 0.00 0.56 0.00 0.00 62.75 63.12 3gqb n ILE 100 Cb 0.39 1.21 0.26 0.00 -0.75 0.00 0.00 39.64 40.75 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 -0.10 3.22 -0.60 4.38 5.68 -1.17 -4.88 116.55 123.08 3gqb n ASP 101 Ca 0.00 -2.02 -0.08 0.00 -0.50 0.00 0.00 54.79 52.19 3gqb n ASP 101 Cb 0.26 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.81 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 1.42 0.89 4.03 6.12 0.00 -1.26 -5.01 105.19 111.39 3gqb n GLY 102 Ca 0.20 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3gqb n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 103 N -1.78 3.02 0.42 0.99 1.43 -1.26 -5.08 118.68 116.41 3gqb s LEU 103 Ca 0.00 -0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 3gqb s LEU 103 Cb 0.00 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 3gqb s LEU 103 CO 0.00 -1.51 1.01 -2.16 0.23 0.00 0.00 176.35 173.92 3gqb s PRO 104 N -4.79 4.15 0.43 1.29 0.05 -1.26 -4.90 135.00 129.97 3gqb s PRO 104 Ca 0.64 1.35 -0.25 0.00 0.05 0.00 0.00 61.00 62.79 3gqb s PRO 104 Cb -0.05 -2.38 -0.09 0.00 0.05 0.00 0.00 34.50 32.03 3gqb s PRO 104 CO 0.41 -0.13 1.27 -2.30 0.05 0.00 0.00 177.00 176.30 3gqb n PRO 105 N -0.35 1.91 -4.09 0.56 -0.02 -1.26 -4.98 135.00 126.77 3gqb n PRO 105 Ca 0.06 0.68 -0.24 0.00 -2.02 0.00 0.00 63.50 61.99 3gqb n PRO 105 Cb 0.51 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.21 4.51 -0.23 4.25 -5.25 -1.26 -5.10 121.20 116.91 3gqb s ILE 106 Ca 0.62 -1.25 -0.16 0.00 -0.99 0.00 0.00 60.65 58.88 3gqb s ILE 106 Cb -0.50 -3.38 -0.04 0.00 2.95 0.00 0.00 42.46 41.49 3gqb s ILE 106 CO 0.57 -0.25 0.39 -0.89 -1.79 0.00 0.00 174.94 172.98 3gqb s THR 107 N -1.97 5.18 -0.10 8.37 2.01 -1.26 -5.03 115.64 122.84 3gqb s THR 107 Ca 0.32 0.66 -0.10 0.00 0.31 0.00 0.00 61.69 62.87 3gqb s THR 107 Cb -0.09 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3gqb s THR 107 CO 0.24 0.20 0.23 -2.16 -0.69 0.00 0.00 174.62 172.45 3gqb s PRO 108 N 1.68 3.77 0.23 4.92 0.04 -1.26 -4.71 135.00 139.66 3gqb s PRO 108 Ca 0.17 0.04 0.24 0.00 0.04 0.00 0.00 61.00 61.49 3gqb s PRO 108 Cb -0.15 -3.26 0.44 0.00 0.04 0.00 0.00 34.50 31.57 3gqb s PRO 108 CO 0.09 0.62 1.48 0.93 0.04 0.00 0.00 177.00 180.16 3gqb h GLU 109 N 5.35 0.00 -2.64 4.56 4.39 -1.68 -3.47 114.58 121.09 3gqb h GLU 109 Ca -0.50 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 3gqb h GLU 109 Cb 1.21 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.70 3gqb h GLU 109 CO 0.64 0.00 0.13 0.15 -1.16 0.00 0.00 179.01 178.77 3gqb s LYS 110 N -3.18 1.12 -0.28 2.33 1.02 -1.11 -5.06 119.74 114.58 3gqb s LYS 110 Ca 0.07 -0.18 -0.08 0.00 0.02 0.00 0.00 55.97 55.80 3gqb s LYS 110 Cb 0.11 0.52 -0.01 0.00 -0.52 0.00 0.00 37.83 37.92 3gqb s LYS 110 CO 0.68 -0.42 0.10 1.03 -0.92 0.00 0.00 175.35 175.82 3gqb s ARG 111 N -2.54 3.39 -0.11 1.68 0.52 -1.26 -1.89 118.95 118.75 3gqb s ARG 111 Ca -0.05 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 54.47 3gqb s ARG 111 Cb -0.01 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3gqb s ARG 111 CO -0.02 -0.34 0.00 -0.51 0.02 0.00 0.00 175.30 174.45 3gqb s LEU 112 N 1.58 3.56 -0.14 2.53 1.43 -0.70 -4.74 118.68 122.21 3gqb s LEU 112 Ca 0.05 0.09 -0.33 0.00 -1.03 0.00 0.00 54.13 52.92 3gqb s LEU 112 Cb -0.16 -1.83 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 3gqb s LEU 112 CO 0.04 0.32 2.01 -2.65 0.23 0.00 0.00 176.35 176.30 3gqb n PRO 113 N 2.54 2.07 0.10 1.29 -0.02 -1.26 -0.64 135.00 139.07 3gqb n PRO 113 Ca -0.18 0.71 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3gqb n PRO 113 Cb 0.53 -2.79 0.44 0.00 -0.02 0.00 0.00 33.50 31.66 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 6.05 0.91 0.29 4.25 -0.00 -0.66 -1.63 119.36 128.57 3gqb n ILE 114 Ca 0.27 0.26 0.16 0.00 -0.00 0.00 0.00 62.75 63.44 3gqb n ILE 114 Cb 0.33 -1.16 0.61 0.00 -0.00 0.00 0.00 39.64 39.43 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 0.00 -1.19 7.28 2.02 -1.87 -3.42 112.91 115.73 3gqb h THR 115 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3gqb h THR 115 Cb 0.31 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3gqb h THR 115 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3gqb n GLY 116 N 0.16 -0.23 3.03 2.16 0.00 -0.64 -4.95 105.19 104.73 3gqb n GLY 116 Ca 0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 2.07 0.27 0.99 1.43 -1.26 -5.05 118.68 117.14 3gqb s LEU 117 Ca 0.00 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3gqb s LEU 117 Cb 0.00 0.28 -0.09 0.00 0.03 0.00 0.00 46.19 46.41 3gqb s LEU 117 CO 0.00 -0.36 1.20 -2.16 0.23 0.00 0.00 176.35 175.26 3gqb s PRO 118 N -1.78 4.50 0.42 1.29 0.04 -1.26 -4.97 135.00 133.24 3gqb s PRO 118 Ca -0.13 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 3gqb s PRO 118 Cb -0.07 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 3gqb s PRO 118 CO -0.02 -0.00 1.30 -0.51 0.04 0.00 0.00 177.00 177.82 3gqb s LEU 119 N -1.25 4.19 -0.09 -3.56 1.43 -1.26 -4.96 118.68 113.17 3gqb s LEU 119 Ca 0.48 2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 55.94 3gqb s LEU 119 Cb -0.35 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 3gqb s LEU 119 CO 0.44 -0.90 1.36 0.21 0.23 0.00 0.00 176.35 177.70 3gqb s ASN 120 N -0.76 6.88 0.40 2.29 3.84 -1.26 -4.90 114.94 121.44 3gqb s ASN 120 Ca 0.58 1.91 0.18 0.00 0.21 0.00 0.00 52.86 55.73 3gqb s ASN 120 Cb -0.38 -2.54 1.08 0.00 -0.55 0.00 0.00 41.25 38.85 3gqb s ASN 120 CO 0.49 -0.76 1.81 -0.65 -2.79 0.00 0.00 177.10 175.20 3gqb h PRO 121 N 8.30 0.41 0.00 0.43 0.11 -2.00 0.24 132.00 139.48 3gqb h PRO 121 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3gqb h PRO 121 Cb 1.14 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gqb h PRO 121 CO 0.94 0.27 0.00 0.28 -0.21 0.00 0.00 178.00 179.28 3gqb h VAL 122 N 0.42 0.00 -0.17 3.15 2.07 -2.04 -2.50 116.25 117.18 3gqb h VAL 122 Ca 0.53 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3gqb h VAL 122 Cb 1.32 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3gqb h VAL 122 CO -0.24 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.35 3gqb n ALA 123 N -2.03 2.48 -1.18 1.67 0.00 0.83 -4.94 120.51 117.34 3gqb n ALA 123 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3gqb n ALA 123 Cb 0.30 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.98 1.71 -3.26 0.00 1.74 -0.94 -2.61 116.66 114.27 3gqb n ARG 124 Ca 0.17 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.28 3gqb n ARG 124 Cb 0.50 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.58 0.14 -0.23 5.56 3.52 -0.96 -3.46 118.95 124.09 3gqb s ARG 125 Ca 0.00 0.34 -0.41 0.00 -0.13 0.00 0.00 55.73 55.53 3gqb s ARG 125 Cb 0.00 0.20 -0.17 0.00 -1.56 0.00 0.00 34.95 33.42 3gqb s ARG 125 CO 0.00 -0.05 1.60 1.63 -0.81 0.00 0.00 175.30 177.66 3gqb n LYS 126 N 4.76 0.85 -1.92 5.12 5.02 -1.26 -4.47 118.16 126.27 3gqb n LYS 126 Ca -0.07 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.11 3gqb n LYS 126 Cb 0.54 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 2.63 4.21 0.00 1.97 0.02 -1.26 -4.91 135.00 137.66 3gqb s PRO 127 Ca 0.97 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.37 3gqb s PRO 127 Cb -1.14 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 30.24 3gqb s PRO 127 CO 0.65 -0.59 0.00 -0.85 -0.33 0.00 0.00 177.00 175.87 3gqb n GLU 128 N 3.63 0.73 -3.08 5.54 0.28 -1.26 -4.69 120.64 121.80 3gqb n GLU 128 Ca 0.13 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.79 3gqb n GLU 128 Cb 0.38 -0.70 -0.06 0.00 1.43 0.00 0.00 31.44 32.49 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 -1.40 4.14 0.49 3.44 -1.52 -1.26 -3.42 119.66 120.13 3gqb s GLN 129 Ca 0.00 0.81 0.00 0.00 -1.95 0.00 0.00 55.36 54.22 3gqb s GLN 129 Cb 0.00 -2.60 0.01 0.00 -0.22 0.00 0.00 33.01 30.20 3gqb s GLN 129 CO 0.00 0.24 0.71 -0.59 -0.25 0.00 0.00 175.29 175.40 3gqb s PHE 130 N -1.81 3.13 -0.13 0.91 -0.00 -1.23 0.87 117.98 119.73 3gqb s PHE 130 Ca 0.50 0.20 0.00 0.00 -0.00 0.00 0.00 56.93 57.64 3gqb s PHE 130 Cb -0.13 -2.45 0.02 0.00 -0.00 0.00 0.00 43.02 40.46 3gqb s PHE 130 CO 0.19 -0.52 -0.12 0.42 -0.00 0.00 0.00 175.22 175.19 3gqb s ILE 131 N -2.64 1.33 -0.34 -4.49 1.01 -0.65 -4.61 121.20 110.82 3gqb s ILE 131 Ca 0.51 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 3gqb s ILE 131 Cb -0.10 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3gqb s ILE 131 CO 0.39 0.42 1.24 -1.58 0.00 0.00 0.00 174.94 175.40 3gqb s GLN 132 N 1.50 3.89 0.15 2.79 0.74 -0.47 -4.48 119.66 123.78 3gqb s GLN 132 Ca 0.03 1.08 0.17 0.00 0.05 0.00 0.00 55.36 56.69 3gqb s GLN 132 Cb -0.13 -3.86 -0.05 0.00 1.10 0.00 0.00 33.01 30.06 3gqb s GLN 132 CO -0.08 -1.15 1.06 1.79 -0.55 0.00 0.00 175.29 176.36 3gqb h THR 133 N 5.99 0.58 0.00 -0.34 1.35 -1.88 -1.85 112.91 116.76 3gqb h THR 133 Ca -0.24 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 3gqb h THR 133 Cb 1.08 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 3gqb h THR 133 CO 1.05 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 177.26 3gqb n GLY 134 N 1.32 0.78 3.58 5.82 0.00 -1.26 -3.84 105.19 111.59 3gqb n GLY 134 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.43 4.85 0.13 -0.61 1.01 -1.26 -2.05 121.20 120.84 3gqb s ILE 135 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 3gqb s ILE 135 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3gqb s ILE 135 CO 0.00 0.37 1.77 0.28 0.00 0.00 0.00 174.94 177.36 3gqb h SER 136 N 7.53 0.19 -0.63 3.58 0.02 -1.87 0.93 113.55 123.31 3gqb h SER 136 Ca -0.37 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3gqb h SER 136 Cb 1.17 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3gqb h SER 136 CO 0.64 0.15 0.40 0.71 -1.14 0.00 0.00 176.83 177.58 3gqb h THR 137 N 0.27 1.18 0.10 -2.27 1.35 -1.92 0.13 112.91 111.74 3gqb h THR 137 Ca 0.10 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 3gqb h THR 137 Cb 0.02 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 3gqb h THR 137 CO -0.06 0.18 -0.05 0.40 -0.25 0.00 0.00 175.52 175.74 3gqb h ILE 138 N 0.88 0.00 -0.50 6.82 2.04 -1.78 -2.94 117.51 122.03 3gqb h ILE 138 Ca 0.23 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 66.03 3gqb h ILE 138 Cb -0.05 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.94 3gqb h ILE 138 CO -0.05 0.00 -0.02 0.44 0.00 0.00 0.00 178.15 178.52 3gqb h ASP 139 N -0.30 -0.25 0.18 1.72 3.32 0.11 0.34 116.42 121.54 3gqb h ASP 139 Ca -0.01 0.12 -0.30 0.00 0.02 0.00 0.00 57.03 56.86 3gqb h ASP 139 Cb 0.11 0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.90 3gqb h ASP 139 CO 0.02 -0.09 -1.41 0.58 -1.72 0.00 0.00 179.24 176.62 3gqb h VAL 140 N 0.09 1.17 0.05 -1.35 2.07 -0.95 -3.37 116.25 113.97 3gqb h VAL 140 Ca 0.25 -2.54 -0.38 0.00 0.82 0.00 0.00 66.70 64.85 3gqb h VAL 140 Cb 0.38 2.92 -0.05 0.00 -1.52 0.00 0.00 31.29 33.02 3gqb h VAL 140 CO -0.43 0.78 -2.26 0.23 0.02 0.00 0.00 177.57 175.91 3gqb n MET 141 N -3.81 0.69 -2.40 1.57 2.81 -1.14 -4.65 117.12 110.19 3gqb n MET 141 Ca -0.20 0.19 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 3gqb n MET 141 Cb 0.99 -1.60 0.02 0.00 -0.71 0.00 0.00 33.22 31.92 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 -3.31 3.64 -4.59 7.83 5.03 0.12 -4.83 115.26 119.15 3gqb n ASN 142 Ca -0.39 -3.21 -0.52 0.00 0.87 0.00 0.00 54.58 51.33 3gqb n ASN 142 Cb 1.02 -0.43 -0.06 0.00 -1.02 0.00 0.00 39.78 39.30 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 -0.55 0.00 -2.34 3.41 -1.04 -0.96 -4.60 114.28 108.22 3gqb n THR 143 Ca 0.30 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.88 3gqb n THR 143 Cb 0.84 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.52 4.34 0.07 -4.42 2.96 -1.26 -4.43 118.68 116.45 3gqb s LEU 144 Ca 0.85 2.05 0.07 0.00 -0.22 0.00 0.00 54.13 56.88 3gqb s LEU 144 Cb -0.96 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.12 3gqb s LEU 144 CO 0.47 -0.59 -0.15 0.68 -1.32 0.00 0.00 176.35 175.44 3gqb s VAL 145 N 1.67 3.00 0.05 1.68 -7.23 -1.26 -1.63 120.40 116.68 3gqb s VAL 145 Ca 0.60 -1.25 -0.32 0.00 -1.81 0.00 0.00 61.98 59.21 3gqb s VAL 145 Cb -0.30 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 3gqb s VAL 145 CO 0.27 0.23 1.89 0.54 -0.31 0.00 0.00 175.10 177.72 3gqb n ARG 146 N 1.18 2.65 0.00 4.82 1.74 0.25 -1.96 116.66 125.34 3gqb n ARG 146 Ca -0.15 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 3gqb n ARG 146 Cb 0.52 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 3gqb n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gqb n GLY 147 N 4.35 0.56 3.92 -0.13 0.00 -1.24 -4.19 105.19 108.45 3gqb n GLY 147 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 3.26 -0.16 1.61 0.74 -0.83 -2.98 119.66 120.64 3gqb s GLN 148 Ca 0.00 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.46 3gqb s GLN 148 Cb 0.00 -2.36 0.02 0.00 1.10 0.00 0.00 33.01 31.77 3gqb s GLN 148 CO 0.00 -0.39 -0.16 -1.59 -0.55 0.00 0.00 175.29 172.60 3gqb s LYS 149 N -4.81 2.52 -0.27 1.67 -2.85 -1.26 -0.72 119.74 114.03 3gqb s LYS 149 Ca 0.50 -0.65 -0.03 0.00 -1.00 0.00 0.00 55.97 54.79 3gqb s LYS 149 Cb -0.10 -2.25 0.09 0.00 -2.06 0.00 0.00 37.83 33.51 3gqb s LYS 149 CO 0.44 -0.22 0.11 -1.17 0.10 0.00 0.00 175.35 174.61 3gqb s LEU 150 N 1.40 1.04 0.40 2.77 2.96 -0.67 -1.15 118.68 125.43 3gqb s LEU 150 Ca 0.04 -1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 52.68 3gqb s LEU 150 Cb -0.13 -0.50 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 3gqb s LEU 150 CO -0.11 -0.41 0.63 -2.16 -1.32 0.00 0.00 176.35 172.98 3gqb s PRO 151 N 1.95 3.44 -0.20 0.98 0.04 -1.26 -4.34 135.00 135.62 3gqb s PRO 151 Ca 0.08 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 60.72 3gqb s PRO 151 Cb -0.16 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 3gqb s PRO 151 CO -0.28 -0.00 0.55 0.42 0.04 0.00 0.00 177.00 177.72 3gqb s ILE 152 N -2.47 5.08 -0.37 0.56 1.01 -0.14 -0.27 121.20 124.62 3gqb s ILE 152 Ca 0.43 1.01 -0.15 0.00 0.00 0.00 0.00 60.65 61.94 3gqb s ILE 152 Cb -0.10 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 3gqb s ILE 152 CO 0.39 0.16 0.36 -0.36 0.00 0.00 0.00 174.94 175.48 3gqb s PHE 153 N 1.73 3.21 0.00 3.97 0.40 0.42 -1.73 117.98 125.97 3gqb s PHE 153 Ca 0.25 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 3gqb s PHE 153 Cb -0.16 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.69 3gqb s PHE 153 CO 0.10 -0.50 0.00 0.45 0.70 0.00 0.00 175.22 175.97 3gqb n SER 154 N 5.38 1.10 -3.69 1.36 2.88 -0.20 -0.56 113.62 119.88 3gqb n SER 154 Ca -0.09 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 3gqb n SER 154 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.04 -0.36 -0.05 0.46 0.00 -1.26 -2.88 107.32 103.19 3gqb s GLY 155 Ca 0.00 1.15 -0.39 0.00 0.00 0.00 0.00 44.72 45.48 3gqb s GLY 155 CO 0.00 0.93 1.41 1.44 0.00 0.00 0.00 173.10 176.88 3gqb n SER 156 N 2.18 1.52 0.00 1.64 7.64 -1.26 0.18 113.62 125.51 3gqb n SER 156 Ca -0.16 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.84 3gqb n SER 156 Cb 0.56 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 2.85 2.76 3.55 0.23 0.00 -1.26 -5.06 105.19 108.26 3gqb n GLY 157 Ca 0.21 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 2.41 -3.78 0.99 4.32 0.13 -4.92 117.00 116.15 3gqb n LEU 158 Ca 0.00 0.68 -0.42 0.00 -0.02 0.00 0.00 56.01 56.25 3gqb n LEU 158 Cb 0.00 -1.32 0.01 0.00 -1.62 0.00 0.00 43.42 40.49 3gqb n LEU 158 CO 0.00 -2.46 1.64 -0.81 -1.22 0.00 0.00 177.39 174.54 3gqb n PRO 159 N -1.12 4.58 -0.03 3.23 -0.04 -1.26 -4.75 135.00 135.60 3gqb n PRO 159 Ca 0.12 -4.15 -0.15 0.00 -0.04 0.00 0.00 63.50 59.28 3gqb n PRO 159 Cb 0.49 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.25 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 5.02 0.17 -0.88 0.55 0.00 -1.91 -3.08 119.26 119.13 3gqb h ALA 160 Ca 0.43 -0.47 0.14 0.00 0.00 0.00 0.00 54.91 55.01 3gqb h ALA 160 Cb 0.48 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.11 3gqb h ALA 160 CO 1.39 0.29 -0.36 -0.91 0.00 0.00 0.00 179.25 179.66 3gqb h ASN 161 N -0.01 -1.30 -0.55 0.00 2.35 -1.98 0.56 115.58 114.64 3gqb h ASN 161 Ca -0.03 0.29 0.09 0.00 -0.55 0.00 0.00 56.30 56.10 3gqb h ASN 161 Cb 1.06 0.69 -0.07 0.00 0.05 0.00 0.00 38.32 40.05 3gqb h ASN 161 CO 0.09 -0.29 0.15 -0.33 -1.65 0.00 0.00 177.43 175.39 3gqb h GLU 162 N -0.04 0.29 -0.13 0.81 3.07 -1.96 0.49 114.58 117.11 3gqb h GLU 162 Ca 0.33 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.15 3gqb h GLU 162 Cb 0.59 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3gqb h GLU 162 CO -0.90 0.19 0.02 0.82 -1.40 0.00 0.00 179.01 177.74 3gqb h ILE 163 N 0.30 1.22 0.01 3.13 2.04 -0.97 0.11 117.51 123.35 3gqb h ILE 163 Ca 0.28 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3gqb h ILE 163 Cb 0.37 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3gqb h ILE 163 CO -0.33 0.20 -0.45 0.00 0.00 0.00 0.00 178.15 177.58 3gqb h ALA 164 N 0.80 -0.74 -0.93 1.87 0.00 0.38 0.25 119.26 120.89 3gqb h ALA 164 Ca 0.04 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.07 3gqb h ALA 164 Cb 0.30 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 3gqb h ALA 164 CO 0.00 -0.99 0.59 0.00 0.00 0.00 0.00 179.25 178.85 3gqb h ALA 165 N -0.13 1.91 0.01 0.00 0.00 0.00 -1.88 119.26 119.18 3gqb h ALA 165 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gqb h ALA 165 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gqb h ALA 165 CO -0.32 -0.20 -0.01 0.37 0.00 0.00 0.00 179.25 179.09 3gqb h GLN 166 N 0.62 -0.02 -0.98 0.00 4.15 0.14 -1.76 115.11 117.26 3gqb h GLN 166 Ca 0.49 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.93 3gqb h GLN 166 Cb 0.91 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 3gqb h GLN 166 CO -0.24 0.69 0.65 0.82 -1.93 0.00 0.00 178.83 178.82 3gqb h ILE 167 N -0.76 1.21 -0.63 2.39 2.04 -0.58 0.12 117.51 121.30 3gqb h ILE 167 Ca -0.00 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.51 3gqb h ILE 167 Cb 0.72 -0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 3gqb h ILE 167 CO 0.00 0.23 0.26 0.00 0.00 0.00 0.00 178.15 178.65 3gqb h ALA 168 N 1.38 0.83 -0.21 1.87 0.00 -1.28 0.16 119.26 122.01 3gqb h ALA 168 Ca 0.38 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 3gqb h ALA 168 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gqb h ALA 168 CO -0.10 -0.15 -0.65 0.00 0.00 0.00 0.00 179.25 178.34 3gqb h ARG 169 N 0.46 0.78 0.10 0.00 3.08 -0.42 -3.38 114.38 115.00 3gqb h ARG 169 Ca 0.32 -0.56 -0.33 0.00 0.07 0.00 0.00 59.98 59.48 3gqb h ARG 169 Cb 0.37 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3gqb h ARG 169 CO -0.29 1.18 -1.79 1.96 -1.07 0.00 0.00 179.97 179.95 3gqb h GLN 170 N 0.57 0.21 -6.45 0.04 4.20 -0.42 -3.49 115.11 109.78 3gqb h GLN 170 Ca -0.02 -0.36 -0.60 0.00 0.06 0.00 0.00 58.65 57.73 3gqb h GLN 170 Cb 1.26 0.13 0.13 0.00 0.30 0.00 0.00 27.48 29.30 3gqb h GLN 170 CO 0.14 1.03 -0.08 0.00 -0.67 0.00 0.00 178.83 179.25 3gqb n ALA 171 N -2.80 -0.70 -3.51 3.87 0.00 0.52 -4.76 120.51 113.13 3gqb n ALA 171 Ca -0.24 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 3gqb n ALA 171 Cb 1.05 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.25 0.00 0.12 0.00 -1.32 -0.70 -4.99 115.64 107.50 3gqb s THR 172 Ca 0.62 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.99 3gqb s THR 172 Cb -0.64 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.29 3gqb s THR 172 CO 0.58 0.00 0.47 0.68 -2.21 0.00 0.00 174.62 174.14 3gqb s VAL 173 N -2.75 5.00 -0.77 5.08 -7.23 -1.26 -1.36 120.40 117.11 3gqb s VAL 173 Ca 0.03 0.56 0.03 0.00 -1.81 0.00 0.00 61.98 60.79 3gqb s VAL 173 Cb -0.01 -3.67 0.27 0.00 0.56 0.00 0.00 36.38 33.53 3gqb s VAL 173 CO -0.07 0.22 0.96 0.54 -0.31 0.00 0.00 175.10 176.44 3gqb n ARG 174 N 0.70 3.09 -0.24 4.82 5.12 -1.26 -4.91 116.66 123.98 3gqb n ARG 174 Ca -0.06 -4.64 -0.02 0.00 -1.93 0.00 0.00 57.85 51.21 3gqb n ARG 174 Cb 0.52 -2.34 0.17 0.00 -1.16 0.00 0.00 32.46 29.66 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 4.60 1.05 0.00 5.56 0.11 -1.97 -2.01 132.00 139.34 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 0.65 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3gqb h PRO 175 CO 0.98 0.78 0.00 0.38 -0.21 0.00 0.00 178.00 179.93 3gqb h ASP 176 N 1.06 0.00 0.42 -2.05 2.03 -1.90 0.34 116.42 116.32 3gqb h ASP 176 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 3gqb h ASP 176 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3gqb h ASP 176 CO -0.04 0.00 -1.13 0.18 -1.03 0.00 0.00 179.24 177.22 3gqb n LEU 177 N -2.64 0.58 -0.30 0.15 4.77 -0.76 -4.14 117.00 114.67 3gqb n LEU 177 Ca -0.01 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 3gqb n LEU 177 Cb 0.11 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3gqb n LEU 177 CO 0.17 0.03 0.52 -1.54 -1.33 0.00 0.00 177.39 175.24 3gqb n SER 178 N -2.04 2.28 0.00 -1.43 3.41 -0.09 -3.60 113.62 112.14 3gqb n SER 178 Ca 0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3gqb n SER 178 Cb 0.46 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.06 1.39 3.45 5.00 0.00 0.10 -4.93 105.19 110.26 3gqb n GLY 179 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.91 0.01 -1.77 1.61 1.02 -1.09 -4.88 120.64 114.62 3gqb n GLU 180 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3gqb n GLU 180 Cb 0.00 -1.24 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.76 1.25 0.04 0.62 0.00 -1.26 -4.67 105.19 102.93 3gqb n GLY 181 Ca 0.19 0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.70 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 0.23 0.27 1.61 0.00 -1.26 -4.30 120.64 118.13 3gqb n GLU 182 Ca 0.03 -0.07 -0.15 0.00 0.00 0.00 0.00 57.16 56.97 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 0.17 -0.67 -1.30 5.31 2.10 -2.03 -2.86 116.57 117.29 3gqb h LYS 183 Ca 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3gqb h LYS 183 Cb 0.45 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3gqb h LYS 183 CO 0.00 -0.37 0.00 0.39 -2.00 0.00 0.00 179.45 177.47 3gqb n GLU 184 N -5.31 0.82 -1.28 0.07 4.71 -1.26 -4.08 120.64 114.31 3gqb n GLU 184 Ca -0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.08 3gqb n GLU 184 Cb 0.32 -1.09 0.08 0.00 -1.01 0.00 0.00 31.44 29.74 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 0.74 0.58 -1.87 3.49 1.02 -1.08 -4.73 120.64 118.79 3gqb n GLU 185 Ca 0.00 -2.47 -0.41 0.00 -0.02 0.00 0.00 57.16 54.26 3gqb n GLU 185 Cb 0.41 -0.57 -0.00 0.00 -0.02 0.00 0.00 31.44 31.26 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 -1.14 4.09 -0.19 3.49 0.04 -1.26 -4.77 135.00 135.26 3gqb s PRO 186 Ca 0.35 2.47 -0.03 0.00 0.04 0.00 0.00 61.00 63.84 3gqb s PRO 186 Cb 0.38 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 3gqb s PRO 186 CO -0.13 -0.51 -0.06 0.12 0.04 0.00 0.00 177.00 176.45 3gqb s PHE 187 N -1.14 2.93 0.12 0.56 2.19 -1.26 -1.25 117.98 120.13 3gqb s PHE 187 Ca 0.53 -0.81 0.07 0.00 0.33 0.00 0.00 56.93 57.05 3gqb s PHE 187 Cb -0.45 -2.03 -0.04 0.00 -1.31 0.00 0.00 43.02 39.20 3gqb s PHE 187 CO 0.60 -0.42 -0.18 0.00 1.83 0.00 0.00 175.22 177.05 3gqb s ALA 188 N 1.10 1.69 -0.23 11.12 0.00 0.22 -4.95 121.76 130.70 3gqb s ALA 188 Ca 0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3gqb s ALA 188 Cb -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3gqb s ALA 188 CO -0.01 0.25 -0.04 0.08 0.00 0.00 0.00 175.76 176.04 3gqb s VAL 189 N -1.58 3.29 -0.48 0.00 1.01 -0.61 -0.77 120.40 121.26 3gqb s VAL 189 Ca 0.08 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 3gqb s VAL 189 Cb -0.08 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.83 3gqb s VAL 189 CO 0.04 0.36 0.47 -0.69 0.00 0.00 0.00 175.10 175.28 3gqb s VAL 190 N 1.45 5.11 -0.18 2.92 1.01 0.17 -1.67 120.40 129.21 3gqb s VAL 190 Ca 0.05 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 3gqb s VAL 190 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3gqb s VAL 190 CO -0.03 -0.65 0.36 0.12 0.00 0.00 0.00 175.10 174.90 3gqb s PHE 191 N 1.98 3.41 -0.20 5.22 5.36 -0.64 -1.71 117.98 131.40 3gqb s PHE 191 Ca 0.08 0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 56.66 3gqb s PHE 191 Cb -0.22 -2.46 0.05 0.00 -0.34 0.00 0.00 43.02 40.04 3gqb s PHE 191 CO 0.08 0.08 -0.05 0.00 -1.46 0.00 0.00 175.22 173.87 3gqb s ALA 192 N 0.99 1.69 -0.17 11.12 0.00 0.14 0.78 121.76 136.31 3gqb s ALA 192 Ca 0.18 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3gqb s ALA 192 Cb -0.14 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 3gqb s ALA 192 CO 0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 175.76 174.80 3gqb s ALA 193 N 1.53 2.87 -0.22 0.00 0.00 0.46 -0.93 121.76 125.48 3gqb s ALA 193 Ca -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 3gqb s ALA 193 Cb -0.17 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.42 3gqb s ALA 193 CO -0.07 0.04 -0.09 -1.64 0.00 0.00 0.00 175.76 174.00 3gqb s MET 194 N 0.68 3.17 -1.00 0.00 -1.94 0.19 -0.50 119.30 119.89 3gqb s MET 194 Ca -0.03 -0.75 -0.05 0.00 -1.71 0.00 0.00 55.69 53.15 3gqb s MET 194 Cb -0.15 -2.89 0.01 0.00 2.01 0.00 0.00 34.83 33.81 3gqb s MET 194 CO 0.02 -0.24 0.67 0.41 -0.01 0.00 0.00 175.02 175.87 3gqb n GLY 195 N 4.73 -0.12 3.87 -0.03 0.00 -0.30 -3.13 105.19 110.22 3gqb n GLY 195 Ca -0.19 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.13 4.74 0.28 -0.61 -4.36 0.29 -3.80 121.20 114.61 3gqb s ILE 196 Ca 0.33 0.74 -0.04 0.00 -0.26 0.00 0.00 60.65 61.42 3gqb s ILE 196 Cb -0.15 -3.81 -0.05 0.00 1.25 0.00 0.00 42.46 39.70 3gqb s ILE 196 CO 0.41 -0.87 0.53 0.42 0.24 0.00 0.00 174.94 175.67 3gqb s THR 197 N -2.81 5.06 0.36 8.37 -4.23 -1.26 0.09 115.64 121.23 3gqb s THR 197 Ca 0.53 -0.06 0.16 0.00 -1.18 0.00 0.00 61.69 61.15 3gqb s THR 197 Cb -0.10 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.35 3gqb s THR 197 CO 0.43 -0.32 1.70 -0.61 -0.54 0.00 0.00 174.62 175.28 3gqb h GLN 198 N 1.66 0.36 -0.89 3.99 5.75 -1.98 0.13 115.11 124.12 3gqb h GLN 198 Ca -0.48 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 3gqb h GLN 198 Cb 1.19 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 3gqb h GLN 198 CO 0.66 0.24 0.47 -0.09 -2.65 0.00 0.00 178.83 177.46 3gqb h ARG 199 N 0.37 1.26 0.06 1.69 2.43 -1.99 -0.79 114.38 117.41 3gqb h ARG 199 Ca 0.69 -0.16 -0.25 0.00 -0.81 0.00 0.00 59.98 59.45 3gqb h ARG 199 Cb 1.65 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3gqb h ARG 199 CO -0.47 0.93 -1.08 0.93 -1.51 0.00 0.00 179.97 178.77 3gqb h GLU 200 N 1.26 0.34 0.44 0.20 5.08 -1.19 -2.90 114.58 117.80 3gqb h GLU 200 Ca 0.31 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3gqb h GLU 200 Cb 0.05 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gqb h GLU 200 CO -0.05 1.15 -0.24 1.25 -1.00 0.00 0.00 179.01 180.13 3gqb h LEU 201 N 0.15 -0.58 -0.96 1.33 5.85 -1.00 -0.48 115.31 119.62 3gqb h LEU 201 Ca -0.11 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.83 3gqb h LEU 201 Cb 1.76 0.16 -0.18 0.00 0.37 0.00 0.00 40.66 42.77 3gqb h LEU 201 CO 0.18 -0.39 -0.26 -1.28 -0.34 0.00 0.00 178.44 176.35 3gqb h SER 202 N -0.63 -0.98 0.70 1.25 0.87 -1.24 0.04 113.55 113.56 3gqb h SER 202 Ca -0.05 0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3gqb h SER 202 Cb 0.50 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3gqb h SER 202 CO 0.07 -0.31 -0.36 0.22 -0.53 0.00 0.00 176.83 175.92 3gqb h TYR 203 N -0.00 -0.95 -0.99 2.24 3.20 -1.22 -1.04 116.97 118.20 3gqb h TYR 203 Ca 0.44 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.43 3gqb h TYR 203 Cb 0.69 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 39.19 3gqb h TYR 203 CO -0.76 -0.57 0.61 0.74 -1.64 0.00 0.00 178.16 176.54 3gqb h PHE 204 N -0.97 1.09 0.89 -3.82 0.05 -0.55 0.23 116.94 113.87 3gqb h PHE 204 Ca -0.10 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.68 3gqb h PHE 204 Cb 0.76 -0.34 0.01 0.00 2.00 0.00 0.00 35.95 38.38 3gqb h PHE 204 CO 0.02 0.38 -0.43 0.82 -0.18 0.00 0.00 178.31 178.92 3gqb h ILE 205 N 0.91 0.00 -0.96 -0.55 2.04 -1.01 -1.09 117.51 116.85 3gqb h ILE 205 Ca 0.51 -0.05 0.23 0.00 1.00 0.00 0.00 64.86 66.55 3gqb h ILE 205 Cb 0.59 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.49 3gqb h ILE 205 CO -0.30 0.00 -0.09 -0.61 0.00 0.00 0.00 178.15 177.15 3gqb h GLN 206 N -1.25 0.01 -0.37 2.37 4.15 -0.15 0.38 115.11 120.25 3gqb h GLN 206 Ca -0.12 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.19 3gqb h GLN 206 Cb 0.92 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 3gqb h GLN 206 CO 0.20 0.01 -0.19 0.93 -1.93 0.00 0.00 178.83 177.85 3gqb h GLU 207 N 0.01 0.70 0.00 1.69 4.39 -0.40 0.49 114.58 121.47 3gqb h GLU 207 Ca 0.52 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 3gqb h GLU 207 Cb 0.96 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3gqb h GLU 207 CO -0.94 0.84 -0.12 0.74 -1.16 0.00 0.00 179.01 178.38 3gqb h PHE 208 N 0.63 0.00 0.08 4.33 -1.00 0.38 -3.30 116.94 118.05 3gqb h PHE 208 Ca 0.10 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.52 3gqb h PHE 208 Cb 0.66 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 3gqb h PHE 208 CO 0.03 0.12 -2.04 0.39 -1.61 0.00 0.00 178.31 175.20 3gqb n GLU 209 N -3.20 0.71 -0.31 1.51 1.02 -0.66 0.15 120.64 119.86 3gqb n GLU 209 Ca 0.01 0.28 0.15 0.00 -0.02 0.00 0.00 57.16 57.58 3gqb n GLU 209 Cb 0.44 -1.66 0.31 0.00 -0.02 0.00 0.00 31.44 30.51 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 -0.12 0.14 0.00 3.49 2.43 -0.99 -0.84 114.38 118.48 3gqb h ARG 210 Ca -0.46 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3gqb h ARG 210 Cb 1.90 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.37 3gqb h ARG 210 CO -0.01 0.09 -0.39 2.41 -1.51 0.00 0.00 179.97 180.56 3gqb n THR 211 N -5.30 1.54 -1.02 0.20 -1.04 -1.26 -4.99 114.28 102.42 3gqb n THR 211 Ca 0.23 -2.22 -0.01 0.00 -2.04 0.00 0.00 64.05 60.02 3gqb n THR 211 Cb 0.75 0.01 -0.00 0.00 -1.82 0.00 0.00 70.33 69.27 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 -0.89 0.41 0.36 3.41 0.00 -0.32 -4.86 105.19 103.29 3gqb n GLY 212 Ca 0.14 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 1.73 -0.73 4.61 0.00 -1.64 -1.94 119.26 121.31 3gqb h ALA 213 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gqb h ALA 213 Cb 0.30 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3gqb h ALA 213 CO 0.02 -0.43 0.47 1.25 0.00 0.00 0.00 179.25 180.56 3gqb h LEU 214 N 0.00 0.84 -2.21 0.00 5.85 0.11 -3.10 115.31 116.80 3gqb h LEU 214 Ca 0.10 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3gqb h LEU 214 Cb 0.74 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3gqb h LEU 214 CO -0.00 0.62 0.00 0.77 -0.34 0.00 0.00 178.44 179.49 3gqb h SER 215 N 0.99 0.00 0.00 1.25 4.64 -1.61 -2.00 113.55 116.82 3gqb h SER 215 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3gqb h SER 215 Cb -0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3gqb h SER 215 CO -0.06 0.00 -0.37 -2.11 -0.87 0.00 0.00 176.83 173.42 3gqb n ARG 216 N -2.73 1.35 -4.34 4.77 1.85 -1.17 -3.42 116.66 112.97 3gqb n ARG 216 Ca -0.02 -2.93 -0.18 0.00 -1.00 0.00 0.00 57.85 53.72 3gqb n ARG 216 Cb 0.08 -1.45 -0.10 0.00 -1.05 0.00 0.00 32.46 29.93 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 -2.98 2.10 -0.13 2.89 0.01 -0.77 -1.57 113.70 113.24 3gqb s SER 217 Ca 0.35 -1.17 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 3gqb s SER 217 Cb 0.33 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.55 3gqb s SER 217 CO -0.04 -0.42 -0.01 -0.69 0.41 0.00 0.00 173.24 172.49 3gqb s VAL 218 N -3.28 0.63 -0.17 3.43 1.01 -0.67 -0.16 120.40 121.20 3gqb s VAL 218 Ca 0.26 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3gqb s VAL 218 Cb 0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 3gqb s VAL 218 CO 0.08 0.12 0.25 -0.76 0.00 0.00 0.00 175.10 174.80 3gqb s LEU 219 N 1.85 4.24 -0.58 3.92 1.43 -1.20 -1.62 118.68 126.71 3gqb s LEU 219 Ca 0.03 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3gqb s LEU 219 Cb -0.14 -2.30 0.15 0.00 0.03 0.00 0.00 46.19 43.93 3gqb s LEU 219 CO -0.07 0.13 0.37 -0.36 0.23 0.00 0.00 176.35 176.65 3gqb s PHE 220 N 0.39 3.36 -0.16 0.29 0.08 0.23 -0.44 117.98 121.73 3gqb s PHE 220 Ca 0.15 -2.85 -0.17 0.00 0.12 0.00 0.00 56.93 54.18 3gqb s PHE 220 Cb -0.13 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 3gqb s PHE 220 CO 0.03 -0.82 0.43 -0.51 -0.10 0.00 0.00 175.22 174.24 3gqb s LEU 221 N -0.08 4.21 -0.06 -0.37 1.43 -0.65 -0.40 118.68 122.76 3gqb s LEU 221 Ca 0.17 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 3gqb s LEU 221 Cb -0.22 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3gqb s LEU 221 CO -0.03 -0.03 -0.11 0.21 0.23 0.00 0.00 176.35 176.62 3gqb s ASN 222 N 0.81 1.63 0.41 2.29 3.84 0.35 -2.75 114.94 121.52 3gqb s ASN 222 Ca 0.22 -0.27 -0.00 0.00 0.21 0.00 0.00 52.86 53.02 3gqb s ASN 222 Cb -0.15 -0.74 -0.02 0.00 -0.55 0.00 0.00 41.25 39.79 3gqb s ASN 222 CO 0.08 0.03 0.63 -0.54 -2.79 0.00 0.00 177.10 174.51 3gqb s LYS 223 N 0.66 3.32 0.43 0.43 1.02 -1.26 -0.54 119.74 123.79 3gqb s LYS 223 Ca -0.13 -0.33 0.12 0.00 0.02 0.00 0.00 55.97 55.64 3gqb s LYS 223 Cb -0.15 -2.58 0.94 0.00 -0.52 0.00 0.00 37.83 35.51 3gqb s LYS 223 CO 0.03 -0.07 2.00 0.00 -0.92 0.00 0.00 175.35 176.39 3gqb h ALA 224 N 0.54 1.67 -0.09 5.17 0.00 -0.44 -2.94 119.26 123.17 3gqb h ALA 224 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3gqb h ALA 224 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gqb h ALA 224 CO 0.60 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 3gqb n ASP 225 N -4.37 1.74 -4.84 0.00 5.75 -1.26 -4.90 116.55 108.67 3gqb n ASP 225 Ca -0.01 -1.63 -0.31 0.00 -0.01 0.00 0.00 54.79 52.83 3gqb n ASP 225 Cb 0.20 -0.05 0.04 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.81 5.69 0.19 -1.12 -0.00 -1.11 -4.97 116.67 113.55 3gqb s ASP 226 Ca 0.35 1.55 -0.32 0.00 -0.00 0.00 0.00 52.55 54.14 3gqb s ASP 226 Cb 0.20 -2.49 -0.11 0.00 -0.00 0.00 0.00 42.92 40.52 3gqb s ASP 226 CO 0.30 -1.24 1.65 -2.16 -0.00 0.00 0.00 175.17 173.73 3gqb s PRO 227 N -5.07 4.17 0.26 8.23 0.04 -1.26 -4.87 135.00 136.49 3gqb s PRO 227 Ca 0.57 2.49 -0.02 0.00 0.04 0.00 0.00 61.00 64.08 3gqb s PRO 227 Cb -0.13 -3.11 0.46 0.00 0.04 0.00 0.00 34.50 31.76 3gqb s PRO 227 CO 0.54 -0.68 1.82 1.79 0.04 0.00 0.00 177.00 180.51 3gqb h THR 228 N 3.90 0.92 -0.76 1.26 1.35 -1.93 -0.53 112.91 117.11 3gqb h THR 228 Ca -0.43 -0.30 0.22 0.00 -0.55 0.00 0.00 66.41 65.35 3gqb h THR 228 Cb 1.20 -0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 3gqb h THR 228 CO 0.94 0.16 0.60 -0.29 -0.25 0.00 0.00 175.52 176.67 3gqb h ILE 229 N 0.88 0.51 0.00 6.82 2.10 -1.89 0.66 117.51 126.59 3gqb h ILE 229 Ca 0.44 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.38 3gqb h ILE 229 Cb 0.41 0.57 -0.00 0.00 -1.09 0.00 0.00 36.82 36.71 3gqb h ILE 229 CO -0.26 0.00 -0.02 -0.33 -1.08 0.00 0.00 178.15 176.47 3gqb h GLU 230 N 0.00 0.00 -0.15 2.19 5.08 -1.45 -2.03 114.58 118.23 3gqb h GLU 230 Ca 0.36 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.51 3gqb h GLU 230 Cb 1.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.81 3gqb h GLU 230 CO -0.00 0.02 -0.76 -0.09 -1.00 0.00 0.00 179.01 177.17 3gqb h ARG 231 N 0.00 0.73 -0.42 2.33 2.43 0.20 -1.89 114.38 117.76 3gqb h ARG 231 Ca -0.00 -0.59 -0.07 0.00 -0.81 0.00 0.00 59.98 58.51 3gqb h ARG 231 Cb 0.04 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3gqb h ARG 231 CO 0.00 1.20 -0.02 0.82 -1.51 0.00 0.00 179.97 180.46 3gqb h ILE 232 N 0.50 1.23 0.00 1.20 2.04 -1.36 -3.10 117.51 118.03 3gqb h ILE 232 Ca -0.05 -0.96 -0.14 0.00 1.00 0.00 0.00 64.86 64.72 3gqb h ILE 232 Cb 1.38 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3gqb h ILE 232 CO 0.15 0.33 -0.64 -0.07 0.00 0.00 0.00 178.15 177.92 3gqb h LEU 233 N 0.64 0.00 0.17 1.44 3.38 -1.26 -3.39 115.31 116.29 3gqb h LEU 233 Ca 0.13 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3gqb h LEU 233 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3gqb h LEU 233 CO 0.02 0.64 -0.40 0.74 0.09 0.00 0.00 178.44 179.53 3gqb h THR 234 N 0.00 0.18 -0.39 0.22 2.02 -1.26 -0.44 112.91 113.25 3gqb h THR 234 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3gqb h THR 234 Cb 1.35 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3gqb h THR 234 CO 0.08 0.00 0.26 -0.65 0.37 0.00 0.00 175.52 175.59 3gqb h PRO 235 N -0.67 0.37 -0.43 6.66 0.11 -1.75 -1.24 132.00 135.05 3gqb h PRO 235 Ca 0.01 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3gqb h PRO 235 Cb 0.68 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3gqb h PRO 235 CO -0.21 0.25 -0.26 0.00 -0.21 0.00 0.00 178.00 177.57 3gqb h ARG 236 N 0.38 0.92 0.61 1.05 3.08 -1.52 -0.99 114.38 117.91 3gqb h ARG 236 Ca 0.16 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3gqb h ARG 236 Cb 0.17 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3gqb h ARG 236 CO -0.04 1.07 -0.29 0.52 -1.07 0.00 0.00 179.97 180.15 3gqb h MET 237 N 0.78 -0.79 -0.53 0.04 2.86 0.01 -1.07 114.93 116.23 3gqb h MET 237 Ca 0.09 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 3gqb h MET 237 Cb 0.82 0.18 -0.09 0.00 0.06 0.00 0.00 31.60 32.58 3gqb h MET 237 CO 0.07 -0.51 -0.00 0.00 1.06 0.00 0.00 176.91 177.52 3gqb h ALA 238 N -0.49 0.50 0.00 6.32 0.00 -1.30 -0.78 119.26 123.51 3gqb h ALA 238 Ca -0.08 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3gqb h ALA 238 Cb 0.65 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3gqb h ALA 238 CO 0.14 -0.39 -0.50 -0.07 0.00 0.00 0.00 179.25 178.43 3gqb h LEU 239 N 0.11 0.00 -0.03 0.00 3.38 -1.10 -0.39 115.31 117.29 3gqb h LEU 239 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3gqb h LEU 239 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3gqb h LEU 239 CO -0.45 0.50 0.01 0.74 0.09 0.00 0.00 178.44 179.34 3gqb h THR 240 N 0.00 1.15 -0.12 0.22 2.02 -0.34 0.24 112.91 116.08 3gqb h THR 240 Ca -0.01 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 3gqb h THR 240 Cb 1.13 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3gqb h THR 240 CO 0.07 0.12 -0.24 0.58 0.37 0.00 0.00 175.52 176.41 3gqb h VAL 241 N -0.12 1.23 -0.02 3.16 2.07 -0.87 -2.28 116.25 119.41 3gqb h VAL 241 Ca 0.01 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 3gqb h VAL 241 Cb 0.18 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3gqb h VAL 241 CO -0.00 0.32 -0.10 0.00 0.02 0.00 0.00 177.57 177.81 3gqb h ALA 242 N 1.56 0.04 -0.62 1.67 0.00 -0.80 -1.32 119.26 119.80 3gqb h ALA 242 Ca 0.03 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.67 3gqb h ALA 242 Cb 0.54 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3gqb h ALA 242 CO 0.04 -0.05 0.41 0.93 0.00 0.00 0.00 179.25 180.58 3gqb h GLU 243 N -0.50 0.46 0.56 0.00 5.08 -0.50 0.54 114.58 120.22 3gqb h GLU 243 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3gqb h GLU 243 Cb 0.76 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.92 3gqb h GLU 243 CO 0.02 0.30 -0.27 -0.92 -1.00 0.00 0.00 179.01 177.15 3gqb h TYR 244 N 0.47 -0.69 -0.76 4.33 3.20 -1.29 0.27 116.97 122.50 3gqb h TYR 244 Ca 0.28 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.27 3gqb h TYR 244 Cb 0.49 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 3gqb h TYR 244 CO -0.00 -0.43 0.50 -0.07 -1.64 0.00 0.00 178.16 176.52 3gqb h LEU 245 N -1.19 0.49 0.12 2.82 3.38 -1.17 -2.35 115.31 117.40 3gqb h LEU 245 Ca -0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3gqb h LEU 245 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gqb h LEU 245 CO 0.13 0.27 -0.06 0.00 0.09 0.00 0.00 178.44 178.87 3gqb h ALA 246 N 1.63 -0.16 -0.48 1.53 0.00 -0.85 -1.30 119.26 119.64 3gqb h ALA 246 Ca 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gqb h ALA 246 Cb 0.69 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gqb h ALA 246 CO -0.13 -0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.13 3gqb n PHE 247 N -4.85 0.63 -0.03 0.00 0.99 0.08 -1.86 117.46 112.41 3gqb n PHE 247 Ca -0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.08 3gqb n PHE 247 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.68 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 1.09 1.73 0.00 -1.08 1.02 -0.89 -4.86 120.64 117.65 3gqb n GLU 248 Ca 0.18 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3gqb n GLU 248 Cb 0.48 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 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 -0.25 0.00 -1.64 -0.32 8.25 -1.11 -5.01 115.22 115.13 3gqb n HIS 249 Ca 0.00 -0.16 -0.21 0.00 -0.26 0.00 0.00 57.72 57.09 3gqb n HIS 249 Cb 0.01 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.16 -5.49 -4.76 0.41 8.00 -0.78 -4.91 116.55 108.85 3gqb n ASP 250 Ca 0.00 0.49 -0.40 0.00 0.71 0.00 0.00 54.79 55.58 3gqb n ASP 250 Cb 0.29 -4.84 -0.03 0.00 -0.02 0.00 0.00 41.12 36.52 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 -2.77 3.38 -0.33 1.24 1.51 -0.51 -4.27 117.35 115.61 3gqb s TYR 251 Ca 0.00 1.59 -0.23 0.00 -1.01 0.00 0.00 57.07 57.42 3gqb s TYR 251 Cb 0.00 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 3gqb s TYR 251 CO 0.00 -1.04 0.76 -1.01 -1.11 0.00 0.00 175.55 173.15 3gqb s HIS 252 N -1.14 3.17 -0.05 2.71 3.76 -0.38 -1.40 115.29 121.97 3gqb s HIS 252 Ca 0.46 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 56.06 3gqb s HIS 252 Cb -0.35 -3.23 -0.03 0.00 1.11 0.00 0.00 32.58 30.08 3gqb s HIS 252 CO 0.45 -0.60 -0.06 0.08 -0.85 0.00 0.00 174.74 173.76 3gqb s VAL 253 N 2.93 3.78 -0.19 -0.90 1.01 0.15 -0.61 120.40 126.58 3gqb s VAL 253 Ca 0.31 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3gqb s VAL 253 Cb -0.14 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3gqb s VAL 253 CO 0.14 0.55 -0.18 -0.22 0.00 0.00 0.00 175.10 175.39 3gqb s LEU 254 N -0.97 2.29 -0.20 3.92 2.96 0.05 -1.08 118.68 125.66 3gqb s LEU 254 Ca 0.14 -0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3gqb s LEU 254 Cb -0.11 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3gqb s LEU 254 CO 0.03 -0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.41 3gqb s VAL 255 N 1.30 4.56 -0.14 1.68 1.01 0.26 -0.65 120.40 128.41 3gqb s VAL 255 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3gqb s VAL 255 Cb -0.14 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3gqb s VAL 255 CO -0.12 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.65 3gqb s ILE 256 N 0.68 2.83 -0.30 2.22 1.01 -0.69 0.18 121.20 127.13 3gqb s ILE 256 Ca 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3gqb s ILE 256 Cb -0.13 -2.19 0.09 0.00 0.01 0.00 0.00 42.46 40.23 3gqb s ILE 256 CO 0.02 0.52 0.00 -0.76 0.00 0.00 0.00 174.94 174.72 3gqb s LEU 257 N 0.63 3.82 -0.08 2.97 1.43 -0.61 -0.69 118.68 126.15 3gqb s LEU 257 Ca -0.08 -1.77 0.01 0.00 -1.03 0.00 0.00 54.13 51.26 3gqb s LEU 257 Cb -0.16 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3gqb s LEU 257 CO 0.03 -0.32 -0.10 0.28 0.23 0.00 0.00 176.35 176.46 3gqb s THR 258 N 1.11 1.07 -0.12 5.49 -1.32 -0.11 -0.43 115.64 121.34 3gqb s THR 258 Ca 0.04 -0.40 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 3gqb s THR 258 Cb -0.19 -1.02 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 3gqb s THR 258 CO -0.09 0.35 -0.13 -0.62 -2.21 0.00 0.00 174.62 171.92 3gqb s ASP 259 N 1.05 2.41 0.52 8.08 -1.08 -1.18 0.54 116.67 127.00 3gqb s ASP 259 Ca -0.07 -0.41 0.21 0.00 -0.52 0.00 0.00 52.55 51.76 3gqb s ASP 259 Cb -0.15 -1.05 1.37 0.00 -1.46 0.00 0.00 42.92 41.63 3gqb s ASP 259 CO -0.01 -0.03 2.11 0.24 0.52 0.00 0.00 175.17 178.01 3gqb h MET 260 N 7.71 0.00 -0.64 4.34 2.86 -0.15 0.23 114.93 129.28 3gqb h MET 260 Ca -0.33 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.33 3gqb h MET 260 Cb 1.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 3gqb h MET 260 CO 0.48 0.08 0.41 1.15 1.06 0.00 0.00 176.91 180.09 3gqb h THR 261 N 0.00 1.13 -0.45 2.22 2.02 -1.86 0.18 112.91 116.14 3gqb h THR 261 Ca -0.00 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3gqb h THR 261 Cb 0.17 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3gqb h THR 261 CO 0.01 0.15 0.27 0.78 0.37 0.00 0.00 175.52 177.10 3gqb h ASN 262 N 0.82 0.53 -0.02 4.18 2.35 -1.26 0.21 115.58 122.40 3gqb h ASN 262 Ca 0.24 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3gqb h ASN 262 Cb -0.05 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3gqb h ASN 262 CO -0.07 0.41 0.01 0.22 -1.65 0.00 0.00 177.43 176.35 3gqb h TYR 263 N 0.62 0.03 -0.46 1.19 3.20 -0.15 -1.62 116.97 119.78 3gqb h TYR 263 Ca 0.16 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 3gqb h TYR 263 Cb -0.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3gqb h TYR 263 CO 0.00 0.20 -0.17 0.77 -1.64 0.00 0.00 178.16 177.32 3gqb h SER 264 N -0.15 0.94 -0.83 -2.11 0.02 -0.24 0.15 113.55 111.33 3gqb h SER 264 Ca 0.01 -0.39 0.13 0.00 -0.84 0.00 0.00 61.79 60.70 3gqb h SER 264 Cb 0.18 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3gqb h SER 264 CO -0.00 1.11 0.54 -0.33 -1.14 0.00 0.00 176.83 177.01 3gqb h GLU 265 N 0.76 0.61 -0.09 3.45 5.08 -0.58 0.27 114.58 124.09 3gqb h GLU 265 Ca 0.11 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 3gqb h GLU 265 Cb 0.73 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3gqb h GLU 265 CO 0.06 0.41 -0.79 0.00 -1.00 0.00 0.00 179.01 177.68 3gqb h ALA 266 N 1.61 0.44 -0.57 3.43 0.00 -0.43 -3.10 119.26 120.64 3gqb h ALA 266 Ca 0.41 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gqb h ALA 266 Cb 0.68 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3gqb h ALA 266 CO -0.17 0.74 0.37 1.25 0.00 0.00 0.00 179.25 181.44 3gqb h LEU 267 N 0.37 0.63 0.02 0.00 5.85 0.13 -2.09 115.31 120.22 3gqb h LEU 267 Ca -0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3gqb h LEU 267 Cb 1.40 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3gqb h LEU 267 CO 0.15 0.46 -0.01 0.08 -0.34 0.00 0.00 178.44 178.77 3gqb h ARG 268 N 0.75 -0.02 -0.85 1.25 0.11 -1.43 -3.16 114.38 111.03 3gqb h ARG 268 Ca 0.21 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.41 3gqb h ARG 268 Cb -0.06 0.01 -0.13 0.00 1.11 0.00 0.00 29.97 30.89 3gqb h ARG 268 CO -0.06 0.49 -0.44 1.49 0.10 0.00 0.00 179.97 181.56 3gqb h GLU 269 N -0.55 -0.08 0.00 0.08 4.81 -1.46 3.52 114.58 120.91 3gqb h GLU 269 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gqb h GLU 269 Cb 0.52 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3gqb h GLU 269 CO 0.00 -0.05 0.04 -0.89 -0.73 0.00 0.00 179.01 177.39 3gqb n ILE 270 N -5.41 0.71 -0.03 2.32 2.08 -0.79 -1.12 119.36 117.11 3gqb n ILE 270 Ca 0.06 0.22 -0.03 0.00 0.56 0.00 0.00 62.75 63.56 3gqb n ILE 270 Cb 0.36 -1.22 -0.04 0.00 -0.75 0.00 0.00 39.64 37.98 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 -1.12 -0.26 0.28 7.39 0.00 1.12 -3.72 105.19 108.89 3gqb n GLY 271 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 0.25 1.32 -0.56 4.61 0.00 0.11 0.14 119.26 125.13 3gqb h ALA 272 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gqb h ALA 272 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3gqb h ALA 272 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3gqb n ALA 273 N -2.27 2.53 -0.56 0.00 0.00 -0.28 -4.01 120.51 115.93 3gqb n ALA 273 Ca -0.02 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.02 3gqb n ALA 273 Cb 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.03 0.48 0.00 0.00 0.63 -0.97 -4.63 116.66 113.19 3gqb n ARG 274 Ca 0.21 -0.60 0.00 0.00 -0.92 0.00 0.00 57.85 56.54 3gqb n ARG 274 Cb 0.65 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.84 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 -0.12 0.00 -1.74 -0.14 -0.00 -0.70 -5.01 120.64 112.93 3gqb n GLU 275 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.74 3gqb n GLU 275 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.68 3gqb n GLU 275 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3gqb s GLU 276 N -0.62 4.12 -0.06 3.44 2.02 0.42 -4.93 118.70 123.09 3gqb s GLU 276 Ca 0.00 2.60 -0.30 0.00 0.02 0.00 0.00 54.97 57.29 3gqb s GLU 276 Cb 0.00 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 3gqb s GLU 276 CO 0.00 -0.71 1.48 0.96 0.02 0.00 0.00 175.26 177.01 3gqb s ILE 277 N 0.74 3.78 0.52 -1.63 -4.36 -1.26 -4.59 121.20 114.41 3gqb s ILE 277 Ca 0.71 1.03 -0.21 0.00 -0.26 0.00 0.00 60.65 61.92 3gqb s ILE 277 Cb -0.49 -3.66 -0.06 0.00 1.25 0.00 0.00 42.46 39.50 3gqb s ILE 277 CO 0.38 -0.06 1.17 -2.84 0.24 0.00 0.00 174.94 173.83 3gqb s PRO 278 N 3.38 3.42 0.00 0.37 0.02 -1.26 -4.51 135.00 136.42 3gqb s PRO 278 Ca 0.66 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3gqb s PRO 278 Cb -0.30 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.07 3gqb s PRO 278 CO 0.25 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 3gqb n GLY 279 N 0.36 0.95 3.47 0.52 0.00 0.57 -4.81 105.19 106.25 3gqb n GLY 279 Ca 0.10 -1.79 -0.39 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 -1.54 1.61 0.63 -1.26 0.15 116.66 116.84 3gqb n ARG 280 Ca 0.00 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 3gqb n ARG 280 Cb 0.00 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.24 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 0.14 -2.00 -2.88 -0.14 1.74 -1.26 -2.21 116.66 110.05 3gqb n ARG 281 Ca 0.11 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.10 3gqb n ARG 281 Cb 0.45 -2.50 0.03 0.00 -1.02 0.00 0.00 32.46 29.42 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 -0.26 0.29 3.67 -0.13 0.00 0.12 -5.00 105.19 103.89 3gqb n GLY 282 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.14 2.44 0.19 1.61 2.02 -0.94 -4.81 117.35 114.73 3gqb s TYR 283 Ca 0.20 -0.69 -0.33 0.00 -0.37 0.00 0.00 57.07 55.88 3gqb s TYR 283 Cb -0.09 -1.80 -0.13 0.00 -0.40 0.00 0.00 41.96 39.54 3gqb s TYR 283 CO 0.30 0.35 1.59 -2.30 -1.57 0.00 0.00 175.55 173.92 3gqb n PRO 284 N -1.08 2.32 -0.51 -1.71 -0.02 -1.26 0.21 135.00 132.95 3gqb n PRO 284 Ca -0.06 0.83 0.43 0.00 -2.02 0.00 0.00 63.50 62.69 3gqb n PRO 284 Cb 0.66 -2.61 0.77 0.00 -0.02 0.00 0.00 33.50 32.30 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 5.81 0.21 -3.28 -1.23 0.00 -1.88 0.16 103.07 102.85 3gqb h GLY 285 Ca -0.45 -0.02 -0.33 0.00 0.00 0.00 0.00 47.33 46.53 3gqb h GLY 285 CO 0.88 -0.05 0.34 1.58 0.00 0.00 0.00 176.54 179.29 3gqb n TYR 286 N -4.15 2.30 0.10 5.60 4.11 -1.26 -4.57 117.16 119.29 3gqb n TYR 286 Ca 0.36 -1.59 -0.00 0.00 -0.00 0.00 0.00 57.90 56.67 3gqb n TYR 286 Cb 1.61 -0.74 0.29 0.00 -0.00 0.00 0.00 39.34 40.51 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 1.42 0.25 0.01 -3.48 4.05 -1.04 -0.69 114.93 115.44 3gqb h MET 287 Ca 0.41 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3gqb h MET 287 Cb 2.36 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 33.14 3gqb h MET 287 CO 0.79 0.52 -0.00 -0.92 0.23 0.00 0.00 176.91 177.52 3gqb h TYR 288 N 0.22 -0.01 -0.46 1.39 3.20 -1.82 -1.55 116.97 117.93 3gqb h TYR 288 Ca 0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3gqb h TYR 288 Cb 0.62 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3gqb h TYR 288 CO 0.01 0.03 0.22 1.15 -1.64 0.00 0.00 178.16 177.93 3gqb h THR 289 N -0.05 1.19 0.70 1.81 2.02 -1.84 -0.14 112.91 116.59 3gqb h THR 289 Ca -0.00 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3gqb h THR 289 Cb 0.05 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3gqb h THR 289 CO 0.00 0.21 -0.47 -0.78 0.37 0.00 0.00 175.52 174.84 3gqb h ASP 290 N 0.61 -1.22 -0.93 4.18 3.58 -1.08 -0.50 116.42 121.07 3gqb h ASP 290 Ca 0.16 0.08 0.14 0.00 0.42 0.00 0.00 57.03 57.83 3gqb h ASP 290 Cb 0.12 0.37 -0.09 0.00 1.72 0.00 0.00 39.33 41.45 3gqb h ASP 290 CO -0.02 -0.71 0.54 -0.07 -2.88 0.00 0.00 179.24 176.10 3gqb h LEU 291 N -1.11 0.72 -0.61 2.28 3.38 -1.27 0.25 115.31 118.95 3gqb h LEU 291 Ca -0.09 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3gqb h LEU 291 Cb 0.91 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 3gqb h LEU 291 CO 0.06 0.33 0.17 0.00 0.09 0.00 0.00 178.44 179.09 3gqb h ALA 292 N 1.56 0.75 0.00 1.53 0.00 -0.35 0.42 119.26 123.17 3gqb h ALA 292 Ca 0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3gqb h ALA 292 Cb 0.64 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gqb h ALA 292 CO -0.33 -0.27 0.00 0.25 0.00 0.00 0.00 179.25 178.91 3gqb n THR 293 N -5.08 1.21 -0.09 0.00 -2.24 0.05 -1.03 114.28 107.09 3gqb n THR 293 Ca 0.09 0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 62.16 3gqb n THR 293 Cb 0.31 -1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 67.14 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 -1.88 1.48 -0.09 2.28 5.41 0.13 -4.51 119.36 122.17 3gqb n ILE 294 Ca 0.01 0.05 -0.08 0.00 1.00 0.00 0.00 62.75 63.74 3gqb n ILE 294 Cb 0.11 -2.22 0.09 0.00 -0.71 0.00 0.00 39.64 36.91 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 0.89 0.00 1.39 0.05 -0.83 -2.71 116.97 114.77 3gqb h TYR 295 Ca -0.19 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.39 3gqb h TYR 295 Cb 0.98 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.50 3gqb h TYR 295 CO -0.17 0.92 0.00 0.39 -1.05 0.00 0.00 178.16 178.25 3gqb n GLU 296 N -4.12 0.08 -1.59 4.88 -0.58 -0.20 -3.68 120.64 115.42 3gqb n GLU 296 Ca 0.00 0.46 -0.40 0.00 -0.42 0.00 0.00 57.16 56.81 3gqb n GLU 296 Cb 0.42 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.86 4.00 -3.66 3.49 1.74 -1.02 -4.79 116.66 114.56 3gqb n ARG 297 Ca 0.01 -2.70 -0.12 0.00 -0.77 0.00 0.00 57.85 54.26 3gqb n ARG 297 Cb 0.10 -2.76 -0.06 0.00 -1.02 0.00 0.00 32.46 28.72 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 0.95 -1.01 0.00 7.54 0.00 -1.24 -4.93 121.76 123.07 3gqb s ALA 298 Ca 0.63 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3gqb s ALA 298 Cb 0.18 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3gqb s ALA 298 CO -0.07 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.61 3gqb n GLY 299 N 0.40 0.95 3.10 0.00 0.00 -0.30 -4.96 105.19 104.38 3gqb n GLY 299 Ca -0.18 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.21 0.67 0.02 1.61 -7.23 -1.26 -2.04 120.40 109.96 3gqb s VAL 300 Ca 0.00 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 3gqb s VAL 300 Cb 0.00 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 3gqb s VAL 300 CO 0.00 -0.46 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.53 3gqb s VAL 301 N -1.82 0.84 0.25 1.32 1.01 -1.26 -2.26 120.40 118.48 3gqb s VAL 301 Ca -0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3gqb s VAL 301 Cb -0.07 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 3gqb s VAL 301 CO -0.00 0.02 1.47 -1.61 0.00 0.00 0.00 175.10 174.97 3gqb s GLU 302 N -0.83 4.25 0.00 2.72 2.02 -1.07 -2.57 118.70 123.22 3gqb s GLU 302 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.33 3gqb s GLU 302 Cb -0.06 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.06 3gqb s GLU 302 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.24 3gqb n GLY 303 N 2.30 0.63 3.01 -1.39 0.00 -1.26 -5.03 105.19 103.44 3gqb n GLY 303 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.23 1.41 0.36 1.61 -0.14 -1.06 -5.02 119.74 116.66 3gqb s LYS 304 Ca 0.00 -0.35 0.26 0.00 -1.36 0.00 0.00 55.97 54.51 3gqb s LYS 304 Cb 0.00 -1.22 0.70 0.00 -1.68 0.00 0.00 37.83 35.63 3gqb s LYS 304 CO 0.00 0.04 1.73 0.87 -0.76 0.00 0.00 175.35 177.23 3gqb h LYS 305 N 6.83 0.00 0.00 1.68 1.79 -1.90 -3.43 116.57 121.54 3gqb h LYS 305 Ca -0.33 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 57.72 3gqb h LYS 305 Cb 1.18 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.90 3gqb h LYS 305 CO 0.48 0.00 0.08 0.41 -1.08 0.00 0.00 179.45 179.34 3gqb n GLY 306 N 0.93 0.84 3.46 3.86 0.00 -1.26 -4.89 105.19 108.13 3gqb n GLY 306 Ca 0.04 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 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 -4.63 -0.54 -0.11 1.61 1.04 -0.49 -4.61 113.70 105.96 3gqb s SER 307 Ca 0.59 0.15 0.01 0.00 0.48 0.00 0.00 55.95 57.18 3gqb s SER 307 Cb -0.04 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3gqb s SER 307 CO 0.39 -0.81 -0.13 -0.69 0.98 0.00 0.00 173.24 172.97 3gqb s VAL 308 N -3.06 1.40 -0.05 5.02 1.01 -0.87 -0.67 120.40 123.19 3gqb s VAL 308 Ca -0.01 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3gqb s VAL 308 Cb -0.01 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3gqb s VAL 308 CO -0.07 0.42 -0.17 -0.89 0.00 0.00 0.00 175.10 174.39 3gqb s THR 309 N 1.17 1.47 -0.06 3.92 2.01 -0.24 -1.14 115.64 122.75 3gqb s THR 309 Ca -0.03 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.27 3gqb s THR 309 Cb -0.14 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 3gqb s THR 309 CO -0.04 0.42 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.09 3gqb s GLN 310 N 0.13 2.66 -0.48 4.92 -0.21 0.11 0.92 119.66 127.70 3gqb s GLN 310 Ca -0.06 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 54.70 3gqb s GLN 310 Cb -0.13 -2.46 0.13 0.00 1.00 0.00 0.00 33.01 31.55 3gqb s GLN 310 CO 0.03 0.59 0.25 0.42 -2.12 0.00 0.00 175.29 174.47 3gqb s ILE 311 N -0.65 2.01 0.80 1.08 1.01 0.48 -1.67 121.20 124.27 3gqb s ILE 311 Ca 0.10 -2.97 -0.11 0.00 0.00 0.00 0.00 60.65 57.67 3gqb s ILE 311 Cb -0.11 -2.40 0.08 0.00 0.01 0.00 0.00 42.46 40.04 3gqb s ILE 311 CO 0.01 -0.85 1.10 -2.84 0.00 0.00 0.00 174.94 172.36 3gqb s PRO 312 N -0.00 2.00 -0.07 2.79 0.02 -1.26 -1.57 135.00 136.91 3gqb s PRO 312 Ca 0.18 1.19 -0.03 0.00 0.02 0.00 0.00 61.00 62.35 3gqb s PRO 312 Cb -0.25 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.44 3gqb s PRO 312 CO -0.00 -1.83 0.15 0.42 -0.33 0.00 0.00 177.00 175.41 3gqb s ILE 313 N -2.87 -0.04 -0.15 2.83 1.01 0.43 -0.96 121.20 121.44 3gqb s ILE 313 Ca 0.62 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.35 3gqb s ILE 313 Cb -0.18 -0.24 0.06 0.00 0.01 0.00 0.00 42.46 42.11 3gqb s ILE 313 CO 0.56 0.06 0.35 -1.48 0.00 0.00 0.00 174.94 174.43 3gqb s LEU 314 N 1.03 -0.06 -0.33 2.97 0.05 -0.71 0.46 118.68 122.09 3gqb s LEU 314 Ca -0.08 0.77 -0.24 0.00 0.05 0.00 0.00 54.13 54.63 3gqb s LEU 314 Cb -0.10 1.09 0.00 0.00 -2.05 0.00 0.00 46.19 45.14 3gqb s LEU 314 CO -0.05 -0.20 0.82 -0.94 -0.55 0.00 0.00 176.35 175.43 3gqb s SER 315 N 1.68 6.65 0.17 1.48 1.04 -1.26 -1.04 113.70 122.42 3gqb s SER 315 Ca -0.07 0.61 -0.31 0.00 0.48 0.00 0.00 55.95 56.66 3gqb s SER 315 Cb -0.10 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 3gqb s SER 315 CO -0.11 -0.68 1.39 -0.04 0.98 0.00 0.00 173.24 174.78 3gqb s MET 316 N 3.08 4.32 0.24 4.02 1.00 -1.14 -4.77 119.30 126.05 3gqb s MET 316 Ca 0.33 2.13 -0.05 0.00 0.00 0.00 0.00 55.69 58.10 3gqb s MET 316 Cb -0.14 -3.20 0.45 0.00 0.00 0.00 0.00 34.83 31.95 3gqb s MET 316 CO 0.14 -0.40 1.68 -1.35 0.00 0.00 0.00 175.02 175.09 3gqb h PRO 317 N 6.09 0.22 -0.96 2.03 0.11 -1.93 -3.19 132.00 134.38 3gqb h PRO 317 Ca -0.44 -0.01 -0.38 0.00 0.11 0.00 0.00 66.00 65.28 3gqb h PRO 317 Cb 1.21 -0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 3gqb h PRO 317 CO 0.83 0.15 -1.10 -0.25 -0.21 0.00 0.00 178.00 177.41 3gqb n ASP 318 N -5.19 2.07 -2.05 -2.05 8.00 -1.26 -4.91 116.55 111.15 3gqb n ASP 318 Ca 0.14 -2.77 -0.16 0.00 0.71 0.00 0.00 54.79 52.71 3gqb n ASP 318 Cb 0.46 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.24 -4.53 -4.36 -2.24 8.00 -1.21 -4.91 116.55 107.06 3gqb n ASP 319 Ca 0.14 0.22 -0.46 0.00 0.71 0.00 0.00 54.79 55.40 3gqb n ASP 319 Cb 0.80 -3.92 -0.03 0.00 -0.02 0.00 0.00 41.12 37.95 3gqb n ASP 319 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gqb s ASP 320 N -2.16 6.64 0.12 -2.24 -1.08 -1.26 -4.87 116.67 111.82 3gqb s ASP 320 Ca 0.00 -2.36 0.08 0.00 -0.52 0.00 0.00 52.55 49.75 3gqb s ASP 320 Cb 0.00 -2.26 0.42 0.00 -1.46 0.00 0.00 42.92 39.62 3gqb s ASP 320 CO 0.00 -0.76 1.22 -1.14 0.52 0.00 0.00 175.17 175.01 3gqb n ARG 321 N 4.88 0.05 -0.01 4.34 0.63 -1.26 -0.34 116.66 124.95 3gqb n ARG 321 Ca 0.12 0.54 0.13 0.00 -0.92 0.00 0.00 57.85 57.71 3gqb n ARG 321 Cb 0.46 -1.69 0.33 0.00 0.45 0.00 0.00 32.46 32.02 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 -1.76 0.04 -2.03 5.15 -2.24 -1.26 -3.74 114.28 108.44 3gqb n THR 322 Ca -0.01 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 3gqb n THR 322 Cb 0.04 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.96 2.72 0.31 4.78 5.65 0.54 -4.74 115.29 122.59 3gqb s HIS 323 Ca 0.34 1.41 0.08 0.00 0.25 0.00 0.00 55.06 57.14 3gqb s HIS 323 Cb 0.20 -3.66 0.89 0.00 -1.18 0.00 0.00 32.58 28.83 3gqb s HIS 323 CO 0.32 -2.18 1.64 -1.35 -0.65 0.00 0.00 174.74 172.52 3gqb h PRO 324 N 2.38 0.19 0.84 2.88 0.11 -1.90 0.10 132.00 136.60 3gqb h PRO 324 Ca -0.50 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3gqb h PRO 324 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gqb h PRO 324 CO 0.61 0.13 -0.44 0.82 -0.21 0.00 0.00 178.00 178.91 3gqb h ILE 325 N 0.20 0.00 0.00 4.15 2.04 -1.95 -0.35 117.51 121.60 3gqb h ILE 325 Ca 0.64 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.41 3gqb h ILE 325 Cb 1.41 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3gqb h ILE 325 CO -0.69 0.00 -0.43 1.55 0.00 0.00 0.00 178.15 178.58 3gqb h PRO 326 N -1.18 0.00 -0.12 2.37 0.13 -1.77 -2.25 132.00 129.18 3gqb h PRO 326 Ca -0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 3gqb h PRO 326 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3gqb h PRO 326 CO 0.16 0.43 -0.11 0.22 -0.23 0.00 0.00 178.00 178.48 3gqb h ASP 327 N 0.00 0.30 -0.08 1.44 3.58 -0.68 0.60 116.42 121.58 3gqb h ASP 327 Ca -0.00 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 3gqb h ASP 327 Cb 0.94 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 3gqb h ASP 327 CO 0.06 0.71 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.95 3gqb h LEU 328 N -0.11 0.22 -0.92 2.28 3.38 -1.12 -2.29 115.31 116.76 3gqb h LEU 328 Ca 0.02 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.66 3gqb h LEU 328 Cb 0.62 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 3gqb h LEU 328 CO 0.03 0.69 0.49 0.74 0.09 0.00 0.00 178.44 180.47 3gqb h THR 329 N -0.25 0.65 -0.66 0.22 2.02 -1.44 -1.23 112.91 112.21 3gqb h THR 329 Ca 0.01 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.07 3gqb h THR 329 Cb 0.64 -0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 3gqb h THR 329 CO 0.02 0.11 0.31 1.23 0.37 0.00 0.00 175.52 177.56 3gqb h GLY 330 N 0.61 0.97 2.00 2.16 0.00 -0.60 0.21 103.07 108.42 3gqb h GLY 330 Ca 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3gqb h GLY 330 CO -0.42 0.04 0.00 -1.72 0.00 0.00 0.00 176.54 174.45 3gqb n TYR 331 N -4.90 0.32 -0.08 5.60 4.02 -0.50 -3.87 117.16 117.75 3gqb n TYR 331 Ca 0.10 0.12 -0.14 0.00 -0.01 0.00 0.00 57.90 57.97 3gqb n TYR 331 Cb 0.26 -0.70 -0.07 0.00 -0.02 0.00 0.00 39.34 38.81 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 -1.79 0.94 -2.02 -0.72 5.41 -0.64 -5.03 119.36 115.51 3gqb n ILE 332 Ca 0.04 -0.31 -0.28 0.00 1.00 0.00 0.00 62.75 63.19 3gqb n ILE 332 Cb 0.22 -1.33 0.09 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.32 2.10 -0.93 1.39 -4.23 0.66 -4.98 115.64 107.33 3gqb s THR 333 Ca -0.23 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 3gqb s THR 333 Cb 0.07 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.26 3gqb s THR 333 CO 0.35 0.00 1.93 -0.62 -0.54 0.00 0.00 174.62 175.74 3gqb n GLU 334 N -3.21 3.95 0.00 3.99 1.02 -0.30 -4.86 120.64 121.23 3gqb n GLU 334 Ca 0.09 -4.04 0.00 0.00 -0.02 0.00 0.00 57.16 53.19 3gqb n GLU 334 Cb 0.61 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 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 -0.33 0.22 0.00 0.62 0.00 -1.26 -1.86 105.19 102.58 3gqb n GLY 335 Ca 0.51 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.63 1.61 0.00 0.20 -4.34 117.38 110.23 3gqb n GLN 336 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.67 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 3.50 -0.05 -0.39 1.01 0.63 -1.45 121.20 122.46 3gqb s ILE 337 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.18 3gqb s ILE 337 Cb 0.00 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3gqb s ILE 337 CO 0.00 0.54 -0.21 -1.58 0.00 0.00 0.00 174.94 173.69 3gqb s GLN 338 N -0.06 2.46 -0.46 2.79 0.74 -1.26 0.16 119.66 124.03 3gqb s GLN 338 Ca -0.00 -0.83 -0.16 0.00 0.05 0.00 0.00 55.36 54.41 3gqb s GLN 338 Cb -0.14 -2.23 0.05 0.00 1.10 0.00 0.00 33.01 31.80 3gqb s GLN 338 CO 0.03 0.50 0.42 -0.51 -0.55 0.00 0.00 175.29 175.18 3gqb s LEU 339 N -0.44 5.31 -0.28 3.68 1.43 0.27 -3.33 118.68 125.33 3gqb s LEU 339 Ca 0.05 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.77 3gqb s LEU 339 Cb -0.12 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.85 3gqb s LEU 339 CO 0.01 -0.64 1.31 -0.55 0.23 0.00 0.00 176.35 176.71 3gqb s SER 340 N 2.33 6.70 0.47 2.29 0.15 -0.86 -4.76 113.70 120.03 3gqb s SER 340 Ca 0.07 1.30 0.22 0.00 0.70 0.00 0.00 55.95 58.24 3gqb s SER 340 Cb -0.21 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.78 3gqb s SER 340 CO 0.09 -1.04 1.91 0.03 1.20 0.00 0.00 173.24 175.44 3gqb h ARG 341 N 9.17 0.23 -0.88 5.44 2.47 -1.96 -2.27 114.38 126.58 3gqb h ARG 341 Ca -0.26 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.52 3gqb h ARG 341 Cb 1.10 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.30 3gqb h ARG 341 CO 1.02 0.15 0.54 1.49 0.56 0.00 0.00 179.97 183.73 3gqb h GLU 342 N 0.24 0.91 0.00 0.04 4.81 -1.97 -1.00 114.58 117.61 3gqb h GLU 342 Ca 0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3gqb h GLU 342 Cb 1.16 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3gqb h GLU 342 CO -0.09 0.60 -0.15 1.28 -0.73 0.00 0.00 179.01 179.92 3gqb n LEU 343 N -4.65 0.67 -0.04 1.64 4.77 -0.87 -3.76 117.00 114.76 3gqb n LEU 343 Ca 0.14 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.42 3gqb n LEU 343 Cb 0.23 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 3gqb n LEU 343 CO 0.29 -0.12 0.34 -0.74 -1.33 0.00 0.00 177.39 175.83 3gqb h HIS 344 N 0.00 1.00 0.21 -1.77 2.76 -0.97 -0.99 115.15 115.39 3gqb h HIS 344 Ca 0.00 -0.42 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 3gqb h HIS 344 Cb 0.70 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.50 3gqb h HIS 344 CO 0.00 1.23 -0.10 0.07 -1.30 0.00 0.00 177.93 177.83 3gqb h ARG 345 N 0.48 -0.28 0.00 5.26 -0.00 -1.61 -2.93 114.38 115.30 3gqb h ARG 345 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3gqb h ARG 345 Cb 1.27 0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.31 3gqb h ARG 345 CO 0.14 0.11 0.00 1.63 -0.00 0.00 0.00 179.97 181.85 3gqb n LYS 346 N -5.00 0.00 -1.00 0.08 5.02 -1.25 -4.62 118.16 111.40 3gqb n LYS 346 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3gqb n LYS 346 Cb 0.26 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.42 0.56 3.76 0.72 0.00 -1.10 -5.01 105.19 103.69 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 -2.30 4.25 -0.06 -0.61 1.01 -0.37 -5.02 121.20 118.09 3gqb s ILE 348 Ca 0.00 1.95 -0.06 0.00 0.00 0.00 0.00 60.65 62.54 3gqb s ILE 348 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.22 3gqb s ILE 348 CO 0.00 0.48 0.16 -0.47 0.00 0.00 0.00 174.94 175.10 3gqb s TYR 349 N -0.96 -0.16 -0.18 3.97 5.04 -1.26 -3.98 117.35 119.82 3gqb s TYR 349 Ca 0.40 0.39 -0.29 0.00 -2.44 0.00 0.00 57.07 55.13 3gqb s TYR 349 Cb -0.24 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.11 3gqb s TYR 349 CO 0.29 -0.09 1.14 -2.14 -1.34 0.00 0.00 175.55 173.41 3gqb s PRO 350 N 0.00 4.28 -0.25 4.97 0.02 -1.26 -1.59 135.00 141.17 3gqb s PRO 350 Ca -0.01 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 3gqb s PRO 350 Cb -0.01 -3.67 -0.34 0.00 0.02 0.00 0.00 34.50 30.50 3gqb s PRO 350 CO 0.00 -0.61 1.70 -0.35 -0.33 0.00 0.00 177.00 177.42 3gqb n PRO 351 N 6.18 0.13 -3.97 5.54 -0.04 -1.26 -4.84 135.00 136.75 3gqb n PRO 351 Ca 0.12 -1.19 -0.33 0.00 -0.04 0.00 0.00 63.50 62.06 3gqb n PRO 351 Cb 0.46 -2.79 -0.14 0.00 -0.04 0.00 0.00 33.50 30.99 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 8.71 2.60 -0.21 0.52 1.01 -1.26 -2.02 121.20 130.55 3gqb s ILE 352 Ca 0.70 -1.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 3gqb s ILE 352 Cb 0.11 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3gqb s ILE 352 CO 0.31 -0.24 0.36 1.51 0.00 0.00 0.00 174.94 176.88 3gqb s ASP 353 N 1.20 6.38 0.55 3.58 3.84 -1.21 -4.96 116.67 126.04 3gqb s ASP 353 Ca -0.02 0.44 0.31 0.00 -0.00 0.00 0.00 52.55 53.28 3gqb s ASP 353 Cb -0.20 -2.21 1.59 0.00 -1.38 0.00 0.00 42.92 40.71 3gqb s ASP 353 CO -0.04 -0.06 2.10 1.55 -0.00 0.00 0.00 175.17 178.72 3gqb h PRO 354 N 7.44 0.00 -0.11 2.11 0.13 -1.92 -3.25 132.00 136.40 3gqb h PRO 354 Ca -0.36 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.53 3gqb h PRO 354 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 3gqb h PRO 354 CO 0.70 0.08 -0.85 -0.07 -0.23 0.00 0.00 178.00 177.63 3gqb h LEU 355 N 0.00 0.95 0.00 1.56 3.38 -1.99 -2.97 115.31 116.24 3gqb h LEU 355 Ca -0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3gqb h LEU 355 Cb 0.32 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gqb h LEU 355 CO 0.01 1.46 -0.20 -2.65 0.09 0.00 0.00 178.44 177.15 3gqb n PRO 356 N -3.92 0.19 -2.13 1.13 -0.02 -1.25 -4.87 135.00 124.14 3gqb n PRO 356 Ca -0.08 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.20 3gqb n PRO 356 Cb 0.79 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 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 -4.01 6.40 -0.29 2.55 0.01 -1.12 -4.80 113.70 112.44 3gqb s SER 357 Ca 0.10 1.46 -0.25 0.00 1.31 0.00 0.00 55.95 58.57 3gqb s SER 357 Cb 0.14 -2.48 0.14 0.00 0.21 0.00 0.00 66.02 64.04 3gqb s SER 357 CO 0.62 -0.74 1.15 -0.22 0.41 0.00 0.00 173.24 174.47 3gqb s LEU 358 N -4.69 -0.34 -0.28 2.44 2.96 -0.53 -4.94 118.68 113.31 3gqb s LEU 358 Ca 0.56 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 55.11 3gqb s LEU 358 Cb -0.11 1.65 0.09 0.00 0.50 0.00 0.00 46.19 48.33 3gqb s LEU 358 CO 0.44 -0.11 0.08 -0.55 -1.32 0.00 0.00 176.35 174.89 3gqb s SER 359 N 0.20 3.78 0.24 3.68 0.15 -1.26 0.62 113.70 121.11 3gqb s SER 359 Ca 0.04 -1.44 0.23 0.00 0.70 0.00 0.00 55.95 55.49 3gqb s SER 359 Cb -0.05 -0.81 0.95 0.00 -1.71 0.00 0.00 66.02 64.40 3gqb s SER 359 CO -0.09 -0.38 1.71 0.54 1.20 0.00 0.00 173.24 176.21 3gqb n ARG 360 N 4.89 0.19 -0.14 5.44 1.74 -0.78 -2.54 116.66 125.46 3gqb n ARG 360 Ca -0.04 0.39 0.08 0.00 -0.77 0.00 0.00 57.85 57.52 3gqb n ARG 360 Cb 0.43 -1.85 0.16 0.00 -1.02 0.00 0.00 32.46 30.18 3gqb n ARG 360 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gqb n LEU 361 N -2.21 2.93 0.16 0.55 4.77 -1.26 -4.70 117.00 117.24 3gqb n LEU 361 Ca 0.03 -1.55 -0.14 0.00 -0.03 0.00 0.00 56.01 54.32 3gqb n LEU 361 Cb 0.25 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3gqb n LEU 361 CO 0.21 0.65 0.73 -0.03 -1.33 0.00 0.00 177.39 177.61 3gqb h MET 362 N 3.12 -0.44 0.00 3.23 4.05 -1.70 -3.02 114.93 120.16 3gqb h MET 362 Ca 0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3gqb h MET 362 Cb 0.77 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 3gqb h MET 362 CO 0.00 -0.30 0.05 0.09 0.23 0.00 0.00 176.91 176.99 3gqb n ASN 363 N -5.34 0.00 -0.50 1.39 3.02 -1.26 -0.09 115.26 112.49 3gqb n ASN 363 Ca -0.08 0.34 0.07 0.00 -0.03 0.00 0.00 54.58 54.88 3gqb n ASN 363 Cb 0.25 -0.34 0.17 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.33 3.04 0.00 6.41 6.94 -1.14 -4.57 115.26 124.61 3gqb n ASN 364 Ca 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 54.58 51.82 3gqb n ASN 364 Cb 0.05 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.61 0.00 3.76 4.83 0.00 0.87 -4.10 105.19 109.94 3gqb n GLY 365 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3gqb n GLY 365 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gqb n VAL 366 N -0.90 0.00 -0.02 1.61 0.24 -1.17 -3.49 118.33 114.60 3gqb n VAL 366 Ca 0.00 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 3gqb n VAL 366 Cb 0.01 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 3gqb n VAL 366 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gqb n GLY 367 N -2.84 -4.12 3.64 7.63 0.00 -1.26 -4.68 105.19 103.56 3gqb n GLY 367 Ca 0.16 -2.08 -0.57 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.06 0.86 0.00 1.61 2.85 -1.26 -0.31 118.16 121.85 3gqb n LYS 368 Ca 0.00 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 3gqb n LYS 368 Cb 0.00 -1.93 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 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 3.10 2.52 0.36 2.58 0.00 -1.26 -4.76 105.19 107.72 3gqb n GLY 369 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 0.24 0.00 1.61 4.01 0.58 -2.87 118.16 119.72 3gqb n LYS 370 Ca 0.00 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3gqb n LYS 370 Cb 0.00 -1.04 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 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 -3.14 0.00 -4.20 -0.18 -2.24 0.06 -4.70 114.28 99.89 3gqb n THR 371 Ca -0.19 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 3gqb n THR 371 Cb 0.67 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 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 3.58 2.40 0.00 -0.78 3.52 -1.26 -4.74 118.95 121.67 3gqb s ARG 372 Ca 0.00 -1.06 0.30 0.00 -0.13 0.00 0.00 55.73 54.84 3gqb s ARG 372 Cb 0.00 -2.38 1.56 0.00 -1.56 0.00 0.00 34.95 32.57 3gqb s ARG 372 CO 0.00 0.47 2.05 -0.85 -0.81 0.00 0.00 175.30 176.16 3gqb n GLU 373 N 0.03 0.85 0.08 5.12 0.00 -1.26 -2.29 120.64 123.17 3gqb n GLU 373 Ca -0.10 -0.16 0.12 0.00 0.00 0.00 0.00 57.16 57.02 3gqb n GLU 373 Cb 0.54 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.56 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 0.38 0.00 -0.24 -1.84 2.03 -1.96 -3.44 116.42 111.36 3gqb h ASP 374 Ca 0.00 -0.13 0.02 0.00 -0.73 0.00 0.00 57.03 56.19 3gqb h ASP 374 Cb 0.21 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.68 3gqb h ASP 374 CO 0.00 0.06 -0.15 -0.74 -1.03 0.00 0.00 179.24 177.38 3gqb h HIS 375 N 0.00 -0.49 -0.42 4.15 2.76 -1.87 -0.01 115.15 119.27 3gqb h HIS 375 Ca 0.00 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 3gqb h HIS 375 Cb 0.87 0.25 -0.09 0.00 1.55 0.00 0.00 27.41 29.98 3gqb h HIS 375 CO 0.00 -0.10 -0.42 -0.22 -1.30 0.00 0.00 177.93 175.89 3gqb h LYS 376 N -0.02 -0.30 -0.54 5.26 3.64 -1.84 0.13 116.57 122.91 3gqb h LYS 376 Ca 0.04 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3gqb h LYS 376 Cb 0.12 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3gqb h LYS 376 CO -0.23 -0.20 0.22 1.96 -2.27 0.00 0.00 179.45 178.93 3gqb h GLN 377 N -0.31 0.80 -0.59 1.90 4.20 -1.76 -2.14 115.11 117.21 3gqb h GLN 377 Ca 0.14 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3gqb h GLN 377 Cb 0.58 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 3gqb h GLN 377 CO -0.58 0.69 0.31 0.28 -0.67 0.00 0.00 178.83 178.86 3gqb h VAL 378 N 0.73 1.20 -0.36 -0.54 2.07 -0.14 0.72 116.25 119.92 3gqb h VAL 378 Ca 0.18 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3gqb h VAL 378 Cb 0.18 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3gqb h VAL 378 CO -0.02 0.22 0.17 -1.28 0.02 0.00 0.00 177.57 176.69 3gqb h SER 379 N 0.80 0.25 -0.20 0.57 0.87 -0.61 0.12 113.55 115.35 3gqb h SER 379 Ca 0.21 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3gqb h SER 379 Cb 0.07 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3gqb h SER 379 CO -0.03 0.19 0.11 0.44 -0.53 0.00 0.00 176.83 177.01 3gqb h ASP 380 N 0.36 0.25 0.11 6.23 5.19 -0.97 -0.06 116.42 127.54 3gqb h ASP 380 Ca 0.15 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3gqb h ASP 380 Cb 0.07 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 3gqb h ASP 380 CO -0.11 0.26 -0.32 -0.61 -3.12 0.00 0.00 179.24 175.35 3gqb h GLN 381 N 0.22 -0.51 -0.89 3.56 5.75 -0.54 0.17 115.11 122.87 3gqb h GLN 381 Ca 0.07 0.04 0.19 0.00 -0.15 0.00 0.00 58.65 58.79 3gqb h GLN 381 Cb 0.07 0.12 -0.11 0.00 1.07 0.00 0.00 27.48 28.63 3gqb h GLN 381 CO -0.01 -0.34 0.44 -0.07 -2.65 0.00 0.00 178.83 176.20 3gqb h LEU 382 N -0.53 0.47 0.00 -2.39 3.38 -0.57 0.73 115.31 116.40 3gqb h LEU 382 Ca 0.03 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gqb h LEU 382 Cb 0.57 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gqb h LEU 382 CO -0.19 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.46 3gqb n TYR 383 N -4.94 0.00 0.00 1.13 9.36 -0.05 -2.88 117.16 119.78 3gqb n TYR 383 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 3gqb n TYR 383 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 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 -0.28 0.00 0.00 2.98 2.88 0.56 0.27 113.62 120.03 3gqb n SER 384 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 3gqb n SER 384 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 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 -3.74 1.88 -0.13 -1.46 0.00 0.25 0.07 120.51 117.38 3gqb n ALA 385 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3gqb n ALA 385 Cb 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.39 0.00 -0.12 0.00 9.36 0.76 -2.70 117.16 123.07 3gqb n TYR 386 Ca 0.06 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.24 3gqb n TYR 386 Cb 0.17 -0.94 0.03 0.00 -0.63 0.00 0.00 39.34 37.97 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 -0.38 0.41 -0.41 2.98 0.00 -1.27 1.65 119.26 122.24 3gqb h ALA 387 Ca -0.60 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3gqb h ALA 387 Cb 1.74 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3gqb h ALA 387 CO -0.21 -0.36 0.00 -0.97 0.00 0.00 0.00 179.25 177.71 3gqb h ASN 388 N 0.15 0.63 0.61 0.00 -1.24 -0.55 -2.03 115.58 113.15 3gqb h ASN 388 Ca 0.20 -0.13 -0.21 0.00 0.71 0.00 0.00 56.30 56.87 3gqb h ASN 388 Cb 0.27 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 3gqb h ASN 388 CO -0.30 0.69 -0.92 1.23 -1.29 0.00 0.00 177.43 176.84 3gqb h GLY 389 N 0.92 0.22 1.30 1.57 0.00 -1.10 -3.26 103.07 102.71 3gqb h GLY 389 Ca 0.13 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 3gqb h GLY 389 CO 0.01 0.37 -0.69 -2.08 0.00 0.00 0.00 176.54 174.15 3gqb h VAL 390 N 0.10 1.30 0.00 4.60 2.07 0.25 -3.14 116.25 121.44 3gqb h VAL 390 Ca -0.05 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3gqb h VAL 390 Cb 1.57 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3gqb h VAL 390 CO 0.14 0.61 0.00 0.44 0.02 0.00 0.00 177.57 178.78 3gqb h ASP 391 N 0.50 0.00 0.36 0.57 3.32 -1.47 -1.73 116.42 117.98 3gqb h ASP 391 Ca -0.03 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.75 3gqb h ASP 391 Cb 1.29 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.85 3gqb h ASP 391 CO 0.14 0.00 -1.19 0.40 -1.72 0.00 0.00 179.24 176.86 3gqb h ILE 392 N 0.00 1.38 -0.92 0.35 1.08 -1.60 -3.02 117.51 114.78 3gqb h ILE 392 Ca 0.00 -2.68 0.09 0.00 -0.39 0.00 0.00 64.86 61.88 3gqb h ILE 392 Cb 0.45 2.74 -0.07 0.00 -3.07 0.00 0.00 36.82 36.87 3gqb h ILE 392 CO 0.00 0.80 0.57 0.03 -0.69 0.00 0.00 178.15 178.86 3gqb h ARG 393 N 0.19 0.95 -0.23 2.37 3.08 -1.27 -1.12 114.38 118.35 3gqb h ARG 393 Ca -0.15 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 3gqb h ARG 393 Cb 1.88 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 3gqb h ARG 393 CO 0.21 0.63 -0.31 0.87 -1.07 0.00 0.00 179.97 180.30 3gqb h LYS 394 N 0.98 0.46 -0.73 0.04 1.57 -1.54 -3.00 116.57 114.35 3gqb h LYS 394 Ca 0.43 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3gqb h LYS 394 Cb 0.30 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3gqb h LYS 394 CO -0.22 0.73 0.20 -0.07 -0.57 0.00 0.00 179.45 179.52 3gqb h LEU 395 N 0.40 1.08 -4.78 2.94 4.07 -1.10 -3.28 115.31 114.64 3gqb h LEU 395 Ca 0.05 -0.22 -0.64 0.00 0.08 0.00 0.00 57.88 57.15 3gqb h LEU 395 Cb 0.75 -0.29 -0.38 0.00 1.08 0.00 0.00 40.66 41.82 3gqb h LEU 395 CO 0.06 1.02 -0.27 0.52 -1.08 0.00 0.00 178.44 178.69 3gqb n VAL 396 N -4.24 2.87 0.00 1.22 0.31 -0.73 -4.94 118.33 112.82 3gqb n VAL 396 Ca 0.06 -4.93 0.00 0.00 -0.01 0.00 0.00 64.34 59.46 3gqb n VAL 396 Cb 0.25 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 -0.45 0.00 0.10 3.52 0.00 -1.14 -4.75 120.51 117.78 3gqb n ALA 397 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 3gqb n ALA 397 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 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 1.26 0.00 0.00 2.04 -1.89 -3.41 117.51 115.51 3gqb h ILE 398 Ca 0.00 -2.82 -0.11 0.00 1.00 0.00 0.00 64.86 62.93 3gqb h ILE 398 Cb 0.00 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 3gqb h ILE 398 CO 0.00 0.84 -0.67 0.40 0.00 0.00 0.00 178.15 178.73 3gqb h ILE 399 N 0.09 1.06 -2.65 -0.67 2.04 -1.96 -3.48 117.51 111.95 3gqb h ILE 399 Ca -0.23 -2.03 -0.15 0.00 1.00 0.00 0.00 64.86 63.45 3gqb h ILE 399 Cb 2.05 2.24 -0.30 0.00 -0.74 0.00 0.00 36.82 40.07 3gqb h ILE 399 CO 0.20 0.36 -0.45 -0.83 0.00 0.00 0.00 178.15 177.43 3gqb s GLY 400 N -4.48 -0.25 0.48 5.37 0.00 -1.26 -5.16 107.32 102.02 3gqb s GLY 400 Ca -0.22 1.22 -0.19 0.00 0.00 0.00 0.00 44.72 45.52 3gqb s GLY 400 CO 0.54 2.22 0.99 1.85 0.00 0.00 0.00 173.10 178.71 3gqb s GLU 401 N 2.52 3.96 0.00 2.90 2.12 -1.26 -4.23 118.70 124.71 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 32.14 3gqb s GLU 401 CO -0.11 -0.27 0.00 -0.25 -0.54 0.00 0.00 175.26 174.09 3gqb n ASP 402 N -1.06 -1.73 -3.48 -1.70 9.92 -1.26 -4.99 116.55 112.26 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 -0.40 -0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 -0.18 6.82 -3.15 2.24 0.00 -1.26 -4.94 120.51 120.03 3gqb n ALA 403 Ca 0.00 -4.07 -0.12 0.00 0.00 0.00 0.00 53.44 49.25 3gqb n ALA 403 Cb 0.16 -2.79 -0.10 0.00 0.00 0.00 0.00 19.45 16.73 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 -2.06 1.26 0.00 0.00 2.96 -1.26 -4.87 118.68 114.72 3gqb s LEU 404 Ca 0.54 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3gqb s LEU 404 Cb 0.18 0.89 0.00 0.00 0.50 0.00 0.00 46.19 47.77 3gqb s LEU 404 CO -0.09 -0.37 0.00 0.35 -1.32 0.00 0.00 176.35 174.92 3gqb n THR 405 N 1.55 0.00 -0.04 3.68 -2.24 -1.26 -4.94 114.28 111.03 3gqb n THR 405 Ca -0.21 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 3gqb n THR 405 Cb 0.56 -1.96 -0.03 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 -0.02 -0.01 -0.78 4.22 -2.02 -3.30 114.58 112.67 3gqb h GLU 406 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3gqb h GLU 406 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gqb h GLU 406 CO 0.00 0.17 0.00 -0.97 -2.18 0.00 0.00 179.01 176.04 3gqb h ASN 407 N -1.00 0.01 0.34 1.04 -1.24 -2.00 -1.81 115.58 110.91 3gqb h ASN 407 Ca -0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3gqb h ASN 407 Cb 0.21 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3gqb h ASN 407 CO 0.00 0.04 0.00 0.47 -1.29 0.00 0.00 177.43 176.65 3gqb n ASP 408 N -5.07 0.54 0.11 1.15 8.00 -1.26 0.14 116.55 120.16 3gqb n ASP 408 Ca -0.07 0.69 -0.02 0.00 0.71 0.00 0.00 54.79 56.11 3gqb n ASP 408 Cb 0.04 -0.78 0.23 0.00 -0.02 0.00 0.00 41.12 40.58 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 0.17 0.00 -1.24 2.47 -1.41 -3.12 114.38 111.25 3gqb h ARG 409 Ca 0.00 -0.09 -0.24 0.00 -1.26 0.00 0.00 59.98 58.39 3gqb h ARG 409 Cb 0.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 3gqb h ARG 409 CO 0.00 0.60 -1.62 0.54 0.56 0.00 0.00 179.97 180.05 3gqb n ARG 410 N -3.99 0.63 0.12 0.04 1.74 0.12 -2.83 116.66 112.49 3gqb n ARG 410 Ca -0.02 0.26 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 3gqb n ARG 410 Cb 0.50 -1.79 0.47 0.00 -1.02 0.00 0.00 32.46 30.63 3gqb n ARG 410 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gqb n TYR 411 N -2.97 0.69 -0.08 -1.55 4.02 -0.87 -3.17 117.16 113.23 3gqb n TYR 411 Ca -0.14 0.29 -0.15 0.00 -0.01 0.00 0.00 57.90 57.88 3gqb n TYR 411 Cb 0.97 -0.96 -0.12 0.00 -0.02 0.00 0.00 39.34 39.21 3gqb n TYR 411 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3gqb h LEU 412 N 0.00 0.00 0.00 7.72 5.85 -1.46 -3.30 115.31 124.12 3gqb h LEU 412 Ca 0.00 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 3gqb h LEU 412 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3gqb h LEU 412 CO 0.00 1.10 0.00 0.00 -0.34 0.00 0.00 178.44 179.20 3gqb n GLN 413 N -4.57 0.23 0.09 1.25 3.00 -1.13 -1.44 117.38 114.80 3gqb n GLN 413 Ca -0.15 0.13 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 3gqb n GLN 413 Cb 0.50 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 29.43 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 0.13 1.08 3.04 -1.64 -3.21 116.94 116.34 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 0.16 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 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 2.38 0.42 0.00 2.41 0.00 -1.33 -3.08 119.26 120.06 3gqb h ALA 415 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 54.91 53.56 3gqb h ALA 415 Cb 0.81 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3gqb h ALA 415 CO 0.00 1.29 -0.03 -0.44 0.00 0.00 0.00 179.25 180.07 3gqb h ASP 416 N 0.07 -0.08 1.45 0.00 3.32 -1.65 -2.91 116.42 116.62 3gqb h ASP 416 Ca -0.40 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 3gqb h ASP 416 Cb 2.04 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.62 3gqb h ASP 416 CO 0.10 -0.04 -0.57 0.00 -1.72 0.00 0.00 179.24 177.01 3gqb h ALA 417 N 0.94 0.72 0.00 3.45 0.00 -1.74 -2.55 119.26 120.08 3gqb h ALA 417 Ca 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3gqb h ALA 417 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gqb h ALA 417 CO -0.03 0.51 -0.08 0.35 0.00 0.00 0.00 179.25 180.01 3gqb h PHE 418 N 0.00 0.00 0.08 0.00 3.04 -1.51 0.68 116.94 119.23 3gqb h PHE 418 Ca -0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 3gqb h PHE 418 Cb 1.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.83 3gqb h PHE 418 CO 0.00 0.08 -0.04 0.93 -2.02 0.00 0.00 178.31 177.26 3gqb h GLU 419 N 0.00 -0.11 -1.11 1.11 5.08 -1.30 -0.42 114.58 117.83 3gqb h GLU 419 Ca -0.00 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.67 3gqb h GLU 419 Cb 0.15 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 3gqb h GLU 419 CO 0.01 -0.07 0.74 -0.09 -1.00 0.00 0.00 179.01 178.60 3gqb h ARG 420 N -0.37 0.25 0.00 2.33 9.65 -1.40 0.22 114.38 125.04 3gqb h ARG 420 Ca -0.01 -0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 3gqb h ARG 420 Cb 0.08 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3gqb h ARG 420 CO 0.02 0.16 -1.36 1.19 2.80 0.00 0.00 179.97 182.78 3gqb n PHE 421 N -4.52 0.00 0.00 2.20 0.99 0.22 -4.38 117.46 111.98 3gqb n PHE 421 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 3gqb n PHE 421 Cb 1.04 -0.44 0.00 0.00 -1.00 0.00 0.00 39.48 39.08 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 -3.80 0.00 -0.27 1.38 -0.00 -1.02 -4.25 117.46 109.49 3gqb n PHE 422 Ca -0.22 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.25 3gqb n PHE 422 Cb 0.55 -0.38 0.22 0.00 -0.00 0.00 0.00 39.48 39.88 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 1.17 -3.40 -2.13 2.04 -0.87 -3.37 117.51 110.95 3gqb h ILE 423 Ca 0.00 -0.37 -0.78 0.00 1.00 0.00 0.00 64.86 64.70 3gqb h ILE 423 Cb 0.00 -0.02 -0.26 0.00 -0.74 0.00 0.00 36.82 35.81 3gqb h ILE 423 CO 0.00 0.20 0.49 0.21 0.00 0.00 0.00 178.15 179.05 3gqb s ASN 424 N -6.21 7.11 0.00 1.72 2.47 0.74 -4.07 114.94 116.70 3gqb s ASN 424 Ca -0.11 -3.19 0.11 0.00 0.42 0.00 0.00 52.86 50.08 3gqb s ASN 424 Cb 0.18 -2.24 0.05 0.00 -1.45 0.00 0.00 41.25 37.79 3gqb s ASN 424 CO 0.79 -0.46 0.77 0.00 -3.72 0.00 0.00 177.10 174.48 3gqb n GLN 425 N 3.62 1.19 0.00 0.43 10.64 -1.10 -4.54 117.38 127.62 3gqb n GLN 425 Ca 0.23 -0.94 0.00 0.00 -1.83 0.00 0.00 57.00 54.46 3gqb n GLN 425 Cb 0.42 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.64 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 0.75 2.35 0.35 2.61 0.00 -0.62 -1.86 105.19 108.77 3gqb n GLY 426 Ca 0.06 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.51 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 5.12 1.66 -2.16 1.61 1.13 -1.26 -4.49 117.38 118.99 3gqb n GLN 427 Ca 0.00 -2.76 -0.42 0.00 -1.94 0.00 0.00 57.00 51.89 3gqb n GLN 427 Cb 0.00 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 28.72 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 -2.94 4.34 -0.68 -1.09 -0.21 -0.78 -4.99 119.66 113.31 3gqb s GLN 428 Ca 0.35 2.11 -0.22 0.00 0.02 0.00 0.00 55.36 57.63 3gqb s GLN 428 Cb 0.31 -3.19 0.08 0.00 1.00 0.00 0.00 33.01 31.21 3gqb s GLN 428 CO 0.03 -0.35 0.95 1.21 -2.12 0.00 0.00 175.29 175.01 3gqb s ASN 429 N 0.61 6.22 -0.34 5.90 3.84 -1.26 -4.80 114.94 125.10 3gqb s ASN 429 Ca 0.60 -1.14 -0.16 0.00 0.21 0.00 0.00 52.86 52.37 3gqb s ASN 429 Cb -0.38 -2.40 -0.01 0.00 -0.55 0.00 0.00 41.25 37.91 3gqb s ASN 429 CO 0.36 -1.37 0.43 -0.13 -2.79 0.00 0.00 177.10 173.60 3gqb s ARG 430 N 3.79 3.61 0.69 0.43 0.52 -0.87 -5.03 118.95 122.09 3gqb s ARG 430 Ca 0.22 -0.28 -0.17 0.00 -0.52 0.00 0.00 55.73 54.99 3gqb s ARG 430 Cb -0.17 -3.80 0.02 0.00 0.52 0.00 0.00 34.95 31.52 3gqb s ARG 430 CO 0.08 -0.56 1.27 -1.54 0.02 0.00 0.00 175.30 174.56 3gqb s SER 431 N 1.74 4.32 0.44 0.23 1.04 -1.26 -4.17 113.70 116.04 3gqb s SER 431 Ca 0.15 2.55 0.21 0.00 0.48 0.00 0.00 55.95 59.34 3gqb s SER 431 Cb -0.16 -2.61 1.18 0.00 0.10 0.00 0.00 66.02 64.53 3gqb s SER 431 CO 0.12 -2.19 1.82 -0.29 0.98 0.00 0.00 173.24 173.69 3gqb h ILE 432 N 0.14 0.58 0.16 -1.02 -0.00 -1.97 0.35 117.51 115.75 3gqb h ILE 432 Ca -0.50 -0.11 -0.01 0.00 -0.00 0.00 0.00 64.86 64.25 3gqb h ILE 432 Cb 1.32 0.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.39 3gqb h ILE 432 CO 0.51 0.06 -0.08 -0.33 -0.00 0.00 0.00 178.15 178.31 3gqb h GLU 433 N 0.31 -0.21 -0.49 2.19 3.07 -1.98 -0.05 114.58 117.43 3gqb h GLU 433 Ca 0.52 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.42 3gqb h GLU 433 Cb 1.46 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.39 3gqb h GLU 433 CO -0.18 0.09 0.33 0.93 -1.40 0.00 0.00 179.01 178.78 3gqb h GLU 434 N -0.51 0.57 -0.65 2.33 5.08 -1.50 0.36 114.58 120.27 3gqb h GLU 434 Ca -0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3gqb h GLU 434 Cb 0.39 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3gqb h GLU 434 CO 0.04 0.38 0.06 0.77 -1.00 0.00 0.00 179.01 179.25 3gqb h SER 435 N 0.59 1.07 1.92 1.42 0.02 -0.89 -1.86 113.55 115.82 3gqb h SER 435 Ca 0.19 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3gqb h SER 435 Cb 0.05 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3gqb h SER 435 CO -0.05 1.09 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.59 3gqb h LEU 436 N 1.02 0.00 -0.02 5.07 3.38 0.10 -1.37 115.31 123.50 3gqb h LEU 436 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3gqb h LEU 436 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3gqb h LEU 436 CO 0.02 0.07 -0.25 -0.61 0.09 0.00 0.00 178.44 177.76 3gqb h GLN 437 N 0.00 0.21 -0.73 1.13 4.15 -0.26 -1.72 115.11 117.88 3gqb h GLN 437 Ca -0.00 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 3gqb h GLN 437 Cb 1.04 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 3gqb h GLN 437 CO 0.01 0.89 0.24 0.82 -1.93 0.00 0.00 178.83 178.86 3gqb h ILE 438 N -0.40 1.26 -0.64 2.39 2.04 -1.36 -1.14 117.51 119.64 3gqb h ILE 438 Ca -0.03 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3gqb h ILE 438 Cb 0.96 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3gqb h ILE 438 CO 0.05 0.35 0.39 0.00 0.00 0.00 0.00 178.15 178.94 3gqb h ALA 439 N 1.16 0.85 -0.08 1.87 0.00 -1.27 0.11 119.26 121.90 3gqb h ALA 439 Ca 0.24 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3gqb h ALA 439 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gqb h ALA 439 CO -0.01 0.12 -0.61 -1.49 0.00 0.00 0.00 179.25 177.26 3gqb h TRP 440 N 0.75 0.37 0.00 0.00 4.06 -0.85 0.75 115.95 121.03 3gqb h TRP 440 Ca 0.27 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3gqb h TRP 440 Cb 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3gqb h TRP 440 CO -0.06 0.82 -0.11 0.00 -3.56 0.00 0.00 178.44 175.54 3gqb n ALA 441 N -2.48 2.39 0.04 1.49 0.00 -0.47 -1.95 120.51 119.53 3gqb n ALA 441 Ca -0.03 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 3gqb n ALA 441 Cb 0.62 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 3gqb n ALA 441 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gqb h LEU 442 N 0.00 0.43 0.13 0.00 3.38 -0.42 -3.38 115.31 115.45 3gqb h LEU 442 Ca 0.00 -0.96 0.02 0.00 0.09 0.00 0.00 57.88 57.03 3gqb h LEU 442 Cb 0.75 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3gqb h LEU 442 CO 0.00 1.36 -0.25 -0.07 0.09 0.00 0.00 178.44 179.57 3gqb h LEU 443 N -0.43 -0.70 0.00 1.67 3.38 -0.83 -2.98 115.31 115.42 3gqb h LEU 443 Ca -0.13 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gqb h LEU 443 Cb 1.59 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3gqb h LEU 443 CO 0.14 -0.34 0.00 -1.20 0.09 0.00 0.00 178.44 177.13 3gqb n SER 444 N -5.37 0.00 -0.13 -0.43 7.64 -0.82 0.43 113.62 114.94 3gqb n SER 444 Ca -0.07 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.74 3gqb n SER 444 Cb 0.28 0.00 0.09 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 0.87 -7.25 1.43 2.86 -1.71 -3.43 114.93 107.69 3gqb h MET 445 Ca 0.00 -0.30 -0.49 0.00 -2.06 0.00 0.00 59.70 56.85 3gqb h MET 445 Cb 0.00 -0.07 0.05 0.00 0.06 0.00 0.00 31.60 31.65 3gqb h MET 445 CO 0.00 0.94 0.38 -0.51 1.06 0.00 0.00 176.91 178.78 3gqb s LEU 446 N -9.08 3.43 0.77 1.22 1.43 0.17 -5.03 118.68 111.58 3gqb s LEU 446 Ca -0.10 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 3gqb s LEU 446 Cb 0.14 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.90 3gqb s LEU 446 CO 0.84 -0.96 1.08 -2.84 0.23 0.00 0.00 176.35 174.70 3gqb s PRO 447 N -4.44 2.34 0.13 1.29 0.02 -1.26 -4.99 135.00 128.08 3gqb s PRO 447 Ca 0.59 0.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.28 3gqb s PRO 447 Cb -0.13 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3gqb s PRO 447 CO 0.41 -1.50 1.72 1.96 -0.33 0.00 0.00 177.00 179.26 3gqb h GLN 448 N -1.01 0.05 0.00 5.54 4.20 -1.97 -2.78 115.11 119.15 3gqb h GLN 448 Ca -0.46 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3gqb h GLN 448 Cb 1.24 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3gqb h GLN 448 CO 0.57 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 179.17 3gqb n GLY 449 N -1.18 -0.48 0.07 3.46 0.00 -1.26 -2.10 105.19 103.70 3gqb n GLY 449 Ca -0.03 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.25 0.64 -2.25 1.61 1.02 -1.05 -4.58 120.64 114.78 3gqb n GLU 450 Ca 0.04 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 3gqb n GLU 450 Cb 0.05 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.75 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 -5.17 3.33 0.18 -4.62 1.43 -0.89 -4.74 118.68 108.20 3gqb s LEU 451 Ca -0.05 -1.87 0.22 0.00 -1.03 0.00 0.00 54.13 51.40 3gqb s LEU 451 Cb 0.11 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3gqb s LEU 451 CO 0.84 -2.38 1.00 0.29 0.23 0.00 0.00 176.35 176.33 3gqb n LYS 452 N 8.37 0.61 -0.29 1.70 5.02 -1.26 -3.75 118.16 128.56 3gqb n LYS 452 Ca 0.46 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.93 3gqb n LYS 452 Cb 0.47 -1.82 0.19 0.00 -0.02 0.00 0.00 35.03 33.84 3gqb n LYS 452 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gqb n ARG 453 N -2.70 2.27 -4.87 1.97 5.12 -1.26 -4.84 116.66 112.34 3gqb n ARG 453 Ca -0.02 -1.49 -0.28 0.00 -1.93 0.00 0.00 57.85 54.13 3gqb n ARG 453 Cb 0.59 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 30.24 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 -1.61 1.54 0.17 0.55 1.01 -1.25 -4.63 121.20 116.98 3gqb s ILE 454 Ca 0.27 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.87 3gqb s ILE 454 Cb 0.16 -1.36 -0.12 0.00 0.01 0.00 0.00 42.46 41.16 3gqb s ILE 454 CO 0.15 0.44 1.72 -1.54 0.00 0.00 0.00 174.94 175.71 3gqb n SER 455 N 3.59 3.80 -0.32 3.58 3.41 -1.26 -4.86 113.62 121.55 3gqb n SER 455 Ca -0.21 1.05 0.19 0.00 -0.26 0.00 0.00 58.87 59.65 3gqb n SER 455 Cb 0.52 -1.53 0.37 0.00 -0.26 0.00 0.00 64.21 63.31 3gqb n SER 455 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gqb n LYS 456 N 4.25 -0.07 -0.01 4.33 4.76 -1.26 -1.39 118.16 128.76 3gqb n LYS 456 Ca 0.17 1.40 -0.12 0.00 -2.87 0.00 0.00 58.31 56.89 3gqb n LYS 456 Cb 0.34 -2.31 -0.08 0.00 -1.84 0.00 0.00 35.03 31.14 3gqb n LYS 456 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 3gqb h ASP 457 N 0.00 0.09 -0.83 4.39 2.03 -2.02 -3.22 116.42 116.87 3gqb h ASP 457 Ca 0.65 -0.30 0.17 0.00 -0.73 0.00 0.00 57.03 56.83 3gqb h ASP 457 Cb 1.50 -0.03 -0.16 0.00 -0.83 0.00 0.00 39.33 39.82 3gqb h ASP 457 CO -0.85 0.37 -0.20 0.45 -1.03 0.00 0.00 179.24 177.97 3gqb h HIS 458 N -0.18 -0.43 -0.11 4.15 3.86 -1.60 0.11 115.15 120.94 3gqb h HIS 458 Ca 0.02 0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3gqb h HIS 458 Cb 0.32 0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 3gqb h HIS 458 CO 0.03 -0.36 -0.07 -0.89 0.86 0.00 0.00 177.93 177.51 3gqb n ILE 459 N -5.54 -0.08 0.03 2.45 5.41 -1.22 -1.53 119.36 118.89 3gqb n ILE 459 Ca 0.12 1.37 0.22 0.00 1.00 0.00 0.00 62.75 65.47 3gqb n ILE 459 Cb 0.42 -1.80 0.71 0.00 -0.71 0.00 0.00 39.64 38.25 3gqb n ILE 459 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3gqb h GLY 460 N 0.00 0.00 0.53 7.39 0.00 -0.85 0.78 103.07 110.91 3gqb h GLY 460 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3gqb h GLY 460 CO -0.10 0.00 -0.15 0.50 0.00 0.00 0.00 176.54 176.79 3gqb h LYS 461 N 0.00 -0.40 -0.10 4.80 1.57 -1.01 -3.36 116.57 118.07 3gqb h LYS 461 Ca 0.26 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3gqb h LYS 461 Cb 1.39 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.79 3gqb h LYS 461 CO -0.00 -0.07 0.00 0.66 -0.57 0.00 0.00 179.45 179.47 3gqb n TYR 462 N -5.09 0.12 -0.10 -1.35 4.02 -0.72 -4.31 117.16 109.73 3gqb n TYR 462 Ca -0.09 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.90 57.53 3gqb n TYR 462 Cb 0.27 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.44 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 0.59 0.12 -0.69 -0.72 9.36 0.19 -4.73 117.16 121.28 3gqb n TYR 463 Ca 0.08 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.33 3gqb n TYR 463 Cb 0.31 -1.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.01 3gqb n TYR 463 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49