#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnq s ILE 2 N 0.00 4.88 -0.17 12.58 1.09 -1.01 -4.91 121.20 133.67 3gnq s ILE 2 Ca 0.00 1.39 -0.12 0.00 -1.10 0.00 0.00 60.65 60.83 3gnq s ILE 2 Cb 0.00 -4.00 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 3gnq s ILE 2 CO 0.00 0.37 0.21 -0.13 -0.10 0.00 0.00 174.94 175.30 3gnq s ARG 3 N 0.04 4.15 0.03 2.79 0.52 -1.26 -1.01 118.95 124.21 3gnq s ARG 3 Ca 0.34 -0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 3gnq s ARG 3 Cb -0.19 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 3gnq s ARG 3 CO 0.19 0.32 -0.21 0.08 0.02 0.00 0.00 175.30 175.70 3gnq s VAL 4 N 0.25 1.72 -0.06 3.52 1.01 0.05 -0.70 120.40 126.20 3gnq s VAL 4 Ca 0.13 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 61.00 3gnq s VAL 4 Cb -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3gnq s VAL 4 CO 0.02 0.28 -0.21 0.00 0.00 0.00 0.00 175.10 175.19 3gnq s ALA 5 N -0.73 1.86 -0.37 5.51 0.00 -0.69 -0.64 121.76 126.70 3gnq s ALA 5 Ca 0.08 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 3gnq s ALA 5 Cb -0.09 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3gnq s ALA 5 CO 0.01 0.32 0.23 0.42 0.00 0.00 0.00 175.76 176.74 3gnq s ILE 6 N 0.08 4.87 -0.40 0.00 1.01 -0.91 0.56 121.20 126.40 3gnq s ILE 6 Ca -0.08 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 3gnq s ILE 6 Cb -0.14 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3gnq s ILE 6 CO 0.04 -0.17 0.53 0.21 0.00 0.00 0.00 174.94 175.55 3gnq s ASN 7 N 1.62 6.28 0.00 3.58 2.47 0.76 -1.16 114.94 128.48 3gnq s ASN 7 Ca 0.04 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 52.98 3gnq s ASN 7 Cb -0.18 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 3gnq s ASN 7 CO 0.08 -0.60 0.00 0.61 -3.72 0.00 0.00 177.10 173.47 3gnq n GLY 8 N 4.98 -1.00 2.91 1.21 0.00 0.11 0.66 105.19 114.06 3gnq n GLY 8 Ca -0.05 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3gnq n GLY 8 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gnq n TYR 9 N 0.35 2.38 -0.27 1.61 -0.00 -1.17 -3.87 117.16 116.20 3gnq n TYR 9 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 57.90 55.32 3gnq n TYR 9 Cb 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 39.34 38.03 3gnq n TYR 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3gnq n GLY 10 N 1.17 3.50 0.34 2.98 0.00 -1.26 -4.52 105.19 107.40 3gnq n GLY 10 Ca 0.32 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 3gnq n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gnq h ARG 11 N 0.00 1.14 0.00 1.61 2.47 -1.92 0.20 114.38 117.89 3gnq h ARG 11 Ca 0.00 -0.17 -0.13 0.00 -1.26 0.00 0.00 59.98 58.42 3gnq h ARG 11 Cb 0.00 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 3gnq h ARG 11 CO 0.00 0.88 -0.72 0.82 0.56 0.00 0.00 179.97 181.51 3gnq h ILE 12 N 1.13 1.24 -0.71 2.04 1.08 -1.90 -2.99 117.51 117.40 3gnq h ILE 12 Ca 0.27 -2.21 0.12 0.00 -0.39 0.00 0.00 64.86 62.65 3gnq h ILE 12 Cb 0.13 2.62 -0.13 0.00 -3.07 0.00 0.00 36.82 36.37 3gnq h ILE 12 CO -0.03 0.42 -0.35 1.23 -0.69 0.00 0.00 178.15 178.73 3gnq h GLY 13 N -1.00 -0.04 0.77 5.37 0.00 -1.66 0.26 103.07 106.78 3gnq h GLY 13 Ca -0.20 0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 3gnq h GLY 13 CO -0.12 -0.21 -0.31 3.21 0.00 0.00 0.00 176.54 179.12 3gnq h ARG 14 N -0.11 0.42 0.00 4.80 3.08 -0.76 -2.66 114.38 119.15 3gnq h ARG 14 Ca 0.27 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3gnq h ARG 14 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3gnq h ARG 14 CO -0.77 0.90 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.94 3gnq h ASN 15 N 0.01 0.00 -0.20 7.04 2.35 -1.32 0.33 115.58 123.79 3gnq h ASN 15 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3gnq h ASN 15 Cb 0.91 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 3gnq h ASN 15 CO 0.07 0.18 0.09 0.74 -1.65 0.00 0.00 177.43 176.86 3gnq h THR 16 N 0.00 1.16 0.13 2.81 2.02 -0.48 0.75 112.91 119.29 3gnq h THR 16 Ca -0.00 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3gnq h THR 16 Cb 0.33 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3gnq h THR 16 CO 0.02 0.15 -0.07 0.25 0.37 0.00 0.00 175.52 176.25 3gnq h LEU 17 N 0.18 -0.16 -0.38 2.58 6.46 -0.83 -1.84 115.31 121.32 3gnq h LEU 17 Ca 0.07 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3gnq h LEU 17 Cb 0.16 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 3gnq h LEU 17 CO -0.01 -0.11 -0.05 0.03 -0.62 0.00 0.00 178.44 177.69 3gnq h ARG 18 N -0.18 0.05 -0.91 1.25 3.08 -0.29 -2.13 114.38 115.25 3gnq h ARG 18 Ca -0.01 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.14 3gnq h ARG 18 Cb 0.15 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3gnq h ARG 18 CO 0.02 0.03 0.58 0.00 -1.07 0.00 0.00 179.97 179.54 3gnq h ALA 19 N 1.36 1.65 -0.52 0.04 0.00 0.89 0.14 119.26 122.82 3gnq h ALA 19 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3gnq h ALA 19 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gnq h ALA 19 CO -0.35 0.14 0.00 0.35 0.00 0.00 0.00 179.25 179.40 3gnq h PHE 20 N 0.87 1.00 0.01 0.00 3.57 -0.67 -2.41 116.94 119.30 3gnq h PHE 20 Ca 0.43 -0.17 -0.22 0.00 3.53 0.00 0.00 57.97 61.54 3gnq h PHE 20 Cb 0.47 -0.26 0.02 0.00 2.79 0.00 0.00 35.95 38.97 3gnq h PHE 20 CO -0.00 0.92 -0.88 1.88 -2.23 0.00 0.00 178.31 178.00 3gnq h TYR 21 N 0.78 0.86 0.00 0.41 -1.99 -1.09 -1.51 116.97 114.44 3gnq h TYR 21 Ca 0.15 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.40 3gnq h TYR 21 Cb 0.52 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.16 3gnq h TYR 21 CO 0.04 1.31 0.00 0.93 -0.00 0.00 0.00 178.16 180.44 3gnq h GLU 22 N 0.16 0.00 0.00 4.88 5.08 -1.01 -1.86 114.58 121.83 3gnq h GLU 22 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3gnq h GLU 22 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 3gnq h GLU 22 CO 0.17 0.00 -0.68 -1.71 -1.00 0.00 0.00 179.01 175.79 3gnq n ASN 23 N -2.46 0.65 0.00 1.42 2.85 -0.91 -4.96 115.26 111.85 3gnq n ASN 23 Ca 0.00 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.03 3gnq n ASN 23 Cb 0.18 0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.69 3gnq n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gnq n GLY 24 N 1.49 0.65 2.26 8.20 0.00 -0.70 -4.07 105.19 113.02 3gnq n GLY 24 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3gnq n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 25 N -1.48 -1.06 0.26 1.61 5.02 -0.58 -4.94 118.16 117.00 3gnq n LYS 25 Ca 0.00 0.65 0.09 0.00 -2.02 0.00 0.00 58.31 57.03 3gnq n LYS 25 Cb 0.00 -4.89 0.67 0.00 -0.02 0.00 0.00 35.03 30.80 3gnq n LYS 25 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3gnq h LYS 26 N 0.00 0.00 -6.68 1.97 1.57 -1.81 -3.42 116.57 108.20 3gnq h LYS 26 Ca -0.31 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.94 3gnq h LYS 26 Cb 1.22 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.57 3gnq h LYS 26 CO 0.37 0.02 0.68 -1.01 -0.57 0.00 0.00 179.45 178.94 3gnq s HIS 27 N -4.94 3.21 -1.46 -1.35 3.76 -1.26 -4.90 115.29 108.35 3gnq s HIS 27 Ca -0.05 1.16 -0.11 0.00 -0.15 0.00 0.00 55.06 55.91 3gnq s HIS 27 Cb 0.16 -3.65 0.03 0.00 1.11 0.00 0.00 32.58 30.23 3gnq s HIS 27 CO 0.65 -2.08 2.43 -3.47 -0.85 0.00 0.00 174.74 171.42 3gnq n ASP 28 N 2.68 6.27 -4.09 1.40 2.03 -1.26 -4.84 116.55 118.74 3gnq n ASP 28 Ca 0.07 -2.85 -0.08 0.00 0.52 0.00 0.00 54.79 52.45 3gnq n ASP 28 Cb 0.42 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 39.17 3gnq n ASP 28 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3gnq s LEU 29 N 0.50 2.11 -0.01 -2.67 -0.00 -1.26 -2.39 118.68 114.95 3gnq s LEU 29 Ca 0.54 -1.06 0.06 0.00 -0.00 0.00 0.00 54.13 53.68 3gnq s LEU 29 Cb 0.15 0.32 -0.02 0.00 -0.00 0.00 0.00 46.19 46.64 3gnq s LEU 29 CO -0.06 -0.67 -0.20 -1.61 -0.00 0.00 0.00 176.35 173.81 3gnq s GLU 30 N -3.97 1.58 -0.42 1.48 0.41 -0.18 -4.88 118.70 112.73 3gnq s GLU 30 Ca 0.14 -0.73 -0.19 0.00 -0.41 0.00 0.00 54.97 53.78 3gnq s GLU 30 Cb 0.07 -1.55 0.02 0.00 -1.78 0.00 0.00 34.13 30.90 3gnq s GLU 30 CO -0.05 0.42 0.54 0.42 -0.49 0.00 0.00 175.26 176.10 3gnq s ILE 31 N -0.49 4.96 -0.07 -1.63 1.01 -1.26 -0.77 121.20 122.95 3gnq s ILE 31 Ca 0.08 -0.03 0.17 0.00 0.00 0.00 0.00 60.65 60.86 3gnq s ILE 31 Cb -0.08 -4.11 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 3gnq s ILE 31 CO -0.01 -0.47 0.38 1.33 0.00 0.00 0.00 174.94 176.18 3gnq n VAL 32 N 5.63 0.00 -3.71 2.92 0.24 0.19 -4.71 118.33 118.90 3gnq n VAL 32 Ca -0.04 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.79 3gnq n VAL 32 Cb 0.48 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.96 3gnq n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gnq s ALA 33 N -3.12 -0.73 -0.00 2.33 0.00 -1.22 -1.86 121.76 117.15 3gnq s ALA 33 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 3gnq s ALA 33 Cb 0.11 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 3gnq s ALA 33 CO 0.69 -0.56 0.02 0.42 0.00 0.00 0.00 175.76 176.33 3gnq s ILE 34 N -3.53 0.01 -0.03 0.00 1.01 -0.06 -2.13 121.20 116.47 3gnq s ILE 34 Ca 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.58 3gnq s ILE 34 Cb 0.02 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.42 3gnq s ILE 34 CO -0.10 -0.06 -0.11 0.21 0.00 0.00 0.00 174.94 174.88 3gnq s ASN 35 N -0.18 1.43 0.00 3.58 2.47 -0.31 -0.77 114.94 121.16 3gnq s ASN 35 Ca -0.02 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.03 3gnq s ASN 35 Cb -0.01 -0.36 0.00 0.00 -1.45 0.00 0.00 41.25 39.42 3gnq s ASN 35 CO -0.00 0.09 0.00 -0.67 -3.72 0.00 0.00 177.10 172.80 3gnq n ASP 36 N 3.21 0.00 -0.07 -4.21 2.03 -1.13 0.04 116.55 116.43 3gnq n ASP 36 Ca -0.18 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.06 3gnq n ASP 36 Cb 0.54 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.79 3gnq n ASP 36 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3gnq n LEU 37 N 0.00 0.25 0.00 -2.67 4.32 -1.26 -3.95 117.00 113.69 3gnq n LEU 37 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 3gnq n LEU 37 Cb 0.00 0.37 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3gnq n LEU 37 CO 0.00 0.42 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 3gnq n GLY 38 N 1.65 2.55 4.02 -0.72 0.00 -1.26 -4.91 105.19 106.51 3gnq n GLY 38 Ca -0.26 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.45 3gnq n GLY 38 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gnq s ASP 39 N -0.86 4.88 0.15 1.61 3.84 -1.26 -4.68 116.67 120.35 3gnq s ASP 39 Ca 0.00 -0.60 -0.18 0.00 -0.00 0.00 0.00 52.55 51.76 3gnq s ASP 39 Cb 0.00 0.06 0.04 0.00 -1.38 0.00 0.00 42.92 41.64 3gnq s ASP 39 CO 0.00 -1.48 1.68 0.00 -0.00 0.00 0.00 175.17 175.38 3gnq h ALA 40 N -0.05 0.21 -0.83 2.11 0.00 -1.93 -2.00 119.26 116.77 3gnq h ALA 40 Ca -0.33 0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3gnq h ALA 40 Cb 1.28 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 3gnq h ALA 40 CO 0.41 -0.46 0.52 -0.22 0.00 0.00 0.00 179.25 179.49 3gnq h LYS 41 N -0.00 0.92 0.06 0.00 3.64 -1.95 0.22 116.57 119.46 3gnq h LYS 41 Ca 0.15 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3gnq h LYS 41 Cb 0.23 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3gnq h LYS 41 CO -0.33 0.61 -0.03 1.15 -2.27 0.00 0.00 179.45 178.58 3gnq h THR 42 N 0.95 1.12 -0.24 1.00 2.02 -1.88 0.17 112.91 116.04 3gnq h THR 42 Ca 0.36 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3gnq h THR 42 Cb 0.16 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3gnq h THR 42 CO -0.17 0.15 0.04 0.78 0.37 0.00 0.00 175.52 176.69 3gnq h ASN 43 N -0.36 0.32 -0.06 4.18 2.35 -1.06 -0.82 115.58 120.14 3gnq h ASN 43 Ca -0.01 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3gnq h ASN 43 Cb 0.32 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3gnq h ASN 43 CO 0.01 0.35 -0.03 0.00 -1.65 0.00 0.00 177.43 176.11 3gnq h ALA 44 N 1.70 0.09 -0.42 -0.83 0.00 -0.28 -2.05 119.26 117.47 3gnq h ALA 44 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3gnq h ALA 44 Cb 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gnq h ALA 44 CO -0.00 -0.16 0.21 1.25 0.00 0.00 0.00 179.25 180.54 3gnq h HIS 45 N -0.25 0.38 0.00 0.00 -0.00 -0.40 -1.76 115.15 113.12 3gnq h HIS 45 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3gnq h HIS 45 Cb 0.47 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 3gnq h HIS 45 CO 0.07 0.19 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.07 3gnq h LEU 46 N 0.42 0.00 0.25 0.26 3.38 -1.13 -1.91 115.31 116.57 3gnq h LEU 46 Ca 0.18 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.81 3gnq h LEU 46 Cb 0.10 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.88 3gnq h LEU 46 CO -0.13 0.05 -1.53 0.74 0.09 0.00 0.00 178.44 177.66 3gnq h THR 47 N 0.00 1.22 -0.18 0.22 2.02 -0.95 -3.37 112.91 111.88 3gnq h THR 47 Ca -0.00 -2.67 -0.03 0.00 0.77 0.00 0.00 66.41 64.47 3gnq h THR 47 Cb 0.48 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 3gnq h THR 47 CO 0.01 0.82 -0.02 -0.61 0.37 0.00 0.00 175.52 176.09 3gnq h GLN 48 N 0.14 0.32 -6.42 6.66 5.75 -0.96 -3.39 115.11 117.21 3gnq h GLN 48 Ca -0.27 -0.11 -0.69 0.00 -0.15 0.00 0.00 58.65 57.43 3gnq h GLN 48 Cb 2.16 -0.02 -0.22 0.00 1.07 0.00 0.00 27.48 30.47 3gnq h GLN 48 CO 0.26 0.56 -0.77 0.71 -2.65 0.00 0.00 178.83 176.94 3gnq s TYR 49 N -4.87 2.68 -0.12 3.99 2.02 -0.75 -1.15 117.35 119.14 3gnq s TYR 49 Ca -0.14 -0.18 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 3gnq s TYR 49 Cb 0.06 -1.56 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3gnq s TYR 49 CO 0.73 0.25 0.43 0.34 -1.57 0.00 0.00 175.55 175.73 3gnq s ASP 50 N -1.16 -0.41 -0.03 2.29 3.68 -1.16 -4.64 116.67 115.24 3gnq s ASP 50 Ca 0.14 0.70 -0.20 0.00 2.13 0.00 0.00 52.55 55.32 3gnq s ASP 50 Cb -0.11 0.75 -0.13 0.00 -1.45 0.00 0.00 42.92 41.98 3gnq s ASP 50 CO 0.04 -0.24 0.86 0.74 0.13 0.00 0.00 175.17 176.70 3gnq h THR 51 N 4.23 0.37 -0.64 1.71 2.02 -1.98 -1.92 112.91 116.70 3gnq h THR 51 Ca -0.28 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 3gnq h THR 51 Cb 1.18 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3gnq h THR 51 CO 0.28 0.08 0.18 0.00 0.37 0.00 0.00 175.52 176.43 3gnq h ALA 52 N -0.75 0.84 -0.01 6.16 0.00 -1.97 -3.31 119.26 120.23 3gnq h ALA 52 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gnq h ALA 52 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gnq h ALA 52 CO 0.08 0.53 -0.05 0.72 0.00 0.00 0.00 179.25 180.54 3gnq n HIS 53 N -4.34 0.00 -2.99 0.00 8.25 -1.26 -4.98 115.22 109.91 3gnq n HIS 53 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3gnq n HIS 53 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3gnq n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gnq n GLY 54 N 0.55 -2.05 3.74 -1.41 0.00 -0.72 -4.86 105.19 100.44 3gnq n GLY 54 Ca 0.04 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3gnq n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gnq s LYS 55 N -0.05 4.49 0.03 1.61 2.47 -1.26 -2.98 119.74 124.05 3gnq s LYS 55 Ca 0.00 1.90 -0.30 0.00 -1.56 0.00 0.00 55.97 56.01 3gnq s LYS 55 Cb 0.00 -3.23 -0.08 0.00 -1.46 0.00 0.00 37.83 33.06 3gnq s LYS 55 CO 0.00 -0.09 1.75 0.12 0.16 0.00 0.00 175.35 177.29 3gnq s PHE 56 N -0.14 1.98 -1.35 4.03 5.36 -0.30 -4.90 117.98 122.67 3gnq s PHE 56 Ca 0.53 0.05 -0.15 0.00 -0.96 0.00 0.00 56.93 56.39 3gnq s PHE 56 Cb -0.33 -4.05 0.08 0.00 -0.34 0.00 0.00 43.02 38.38 3gnq s PHE 56 CO 0.38 -4.40 1.91 -0.35 -1.46 0.00 0.00 175.22 171.29 3gnq n PRO 57 N 6.51 3.12 -2.39 10.12 -0.04 -1.26 -4.79 135.00 146.26 3gnq n PRO 57 Ca 0.17 -3.10 -0.01 0.00 -0.04 0.00 0.00 63.50 60.53 3gnq n PRO 57 Cb 0.41 -3.33 0.01 0.00 -0.04 0.00 0.00 33.50 30.55 3gnq n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gnq n GLY 58 N 4.55 0.95 3.26 0.55 0.00 -1.26 -5.00 105.19 108.24 3gnq n GLY 58 Ca 0.48 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 3gnq n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gnq s GLU 59 N -2.02 3.03 -0.02 1.61 2.12 -1.26 -5.02 118.70 117.14 3gnq s GLU 59 Ca 0.09 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.63 3gnq s GLU 59 Cb -0.01 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 3gnq s GLU 59 CO 0.02 -0.36 -0.24 0.08 -0.54 0.00 0.00 175.26 174.22 3gnq s VAL 60 N 1.41 1.89 0.33 3.70 1.01 -1.26 -1.29 120.40 126.19 3gnq s VAL 60 Ca 0.02 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 3gnq s VAL 60 Cb -0.16 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.71 3gnq s VAL 60 CO -0.02 0.53 0.85 -0.94 0.00 0.00 0.00 175.10 175.52 3gnq s SER 61 N -0.55 -0.00 0.11 3.32 1.04 -0.92 -5.03 113.70 111.68 3gnq s SER 61 Ca 0.09 -1.01 0.08 0.00 0.48 0.00 0.00 55.95 55.58 3gnq s SER 61 Cb -0.09 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3gnq s SER 61 CO -0.01 -1.50 -0.19 -0.69 0.98 0.00 0.00 173.24 171.83 3gnq s VAL 62 N -2.30 1.61 -0.39 5.02 1.01 -1.26 -1.43 120.40 122.65 3gnq s VAL 62 Ca 0.17 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.59 3gnq s VAL 62 Cb -0.04 -1.54 0.16 0.00 0.00 0.00 0.00 36.38 34.95 3gnq s VAL 62 CO 0.10 -0.18 0.43 -0.62 0.00 0.00 0.00 175.10 174.84 3gnq s ASP 63 N -2.10 0.60 1.53 3.32 2.15 -0.77 -4.95 116.67 116.45 3gnq s ASP 63 Ca 0.07 -1.52 0.00 0.00 0.43 0.00 0.00 52.55 51.53 3gnq s ASP 63 Cb -0.09 0.82 0.00 0.00 -0.30 0.00 0.00 42.92 43.35 3gnq s ASP 63 CO 0.04 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 3gnq n GLY 64 N 4.15 2.57 0.55 2.66 0.00 -1.26 -2.25 105.19 111.61 3gnq n GLY 64 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3gnq n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gnq n ASP 65 N 9.88 1.61 -4.23 1.61 10.43 -1.26 -4.79 116.55 129.80 3gnq n ASP 65 Ca 0.00 -1.91 -0.29 0.00 2.57 0.00 0.00 54.79 55.16 3gnq n ASP 65 Cb 0.00 -0.18 -0.16 0.00 1.84 0.00 0.00 41.12 42.62 3gnq n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3gnq s TYR 66 N -1.65 2.13 -0.05 1.24 1.51 -0.95 -0.61 117.35 118.97 3gnq s TYR 66 Ca 0.24 -0.56 -0.17 0.00 -1.01 0.00 0.00 57.07 55.57 3gnq s TYR 66 Cb 0.13 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 3gnq s TYR 66 CO 0.17 -0.15 0.46 -1.17 -1.11 0.00 0.00 175.55 173.76 3gnq s LEU 67 N -0.23 4.38 -0.24 -1.29 2.96 0.31 -1.84 118.68 122.74 3gnq s LEU 67 Ca 0.00 0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3gnq s LEU 67 Cb -0.12 -2.68 0.03 0.00 0.50 0.00 0.00 46.19 43.92 3gnq s LEU 67 CO 0.02 0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.43 3gnq s VAL 68 N -0.22 2.70 -0.20 1.68 1.01 -0.52 -0.07 120.40 124.78 3gnq s VAL 68 Ca 0.25 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3gnq s VAL 68 Cb -0.16 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.89 3gnq s VAL 68 CO 0.12 0.23 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 3gnq s VAL 69 N 1.30 2.08 -1.57 2.92 1.01 -0.49 -2.15 120.40 123.50 3gnq s VAL 69 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 3gnq s VAL 69 Cb -0.16 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.34 3gnq s VAL 69 CO -0.06 0.40 0.54 0.59 0.00 0.00 0.00 175.10 176.58 3gnq n ASN 70 N 4.57 -1.57 0.00 3.32 3.02 -0.41 -1.14 115.26 123.05 3gnq n ASN 70 Ca -0.19 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 3gnq n ASN 70 Cb 0.48 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 3gnq n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gnq n GLY 71 N -1.76 2.53 3.76 7.41 0.00 -1.26 -5.02 105.19 110.84 3gnq n GLY 71 Ca -0.13 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3gnq n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gnq s ASP 72 N 0.27 7.02 -0.24 1.61 1.01 -0.30 -5.00 116.67 121.05 3gnq s ASP 72 Ca 0.00 2.45 -0.09 0.00 0.71 0.00 0.00 52.55 55.62 3gnq s ASP 72 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3gnq s ASP 72 CO 0.00 -0.35 0.12 -0.13 0.21 0.00 0.00 175.17 175.02 3gnq s ARG 73 N -1.36 3.91 -0.21 8.23 0.52 -1.26 -1.40 118.95 127.38 3gnq s ARG 73 Ca 0.48 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3gnq s ARG 73 Cb -0.36 -3.44 0.03 0.00 0.52 0.00 0.00 34.95 31.70 3gnq s ARG 73 CO 0.45 -0.02 -0.15 0.42 0.02 0.00 0.00 175.30 176.02 3gnq s ILE 74 N 1.22 2.28 0.20 1.52 1.01 0.89 -4.87 121.20 123.46 3gnq s ILE 74 Ca 0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 3gnq s ILE 74 Cb -0.14 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 3gnq s ILE 74 CO 0.05 0.37 1.33 -0.60 0.00 0.00 0.00 174.94 176.09 3gnq s ARG 75 N 1.27 4.37 -0.24 2.79 3.52 -0.78 -0.53 118.95 129.36 3gnq s ARG 75 Ca 0.02 2.09 -0.06 0.00 -0.13 0.00 0.00 55.73 57.64 3gnq s ARG 75 Cb -0.15 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3gnq s ARG 75 CO -0.10 -0.28 0.04 0.08 -0.81 0.00 0.00 175.30 174.23 3gnq s VAL 76 N 0.14 4.06 0.29 7.11 1.01 0.22 -0.88 120.40 132.36 3gnq s VAL 76 Ca 0.57 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.38 3gnq s VAL 76 Cb -0.37 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3gnq s VAL 76 CO 0.38 0.37 0.06 -0.76 0.00 0.00 0.00 175.10 175.15 3gnq s LEU 77 N 1.50 3.25 -0.42 3.92 1.43 0.05 -4.87 118.68 123.55 3gnq s LEU 77 Ca 0.06 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 3gnq s LEU 77 Cb -0.15 -1.75 0.23 0.00 0.03 0.00 0.00 46.19 44.55 3gnq s LEU 77 CO 0.02 -0.11 0.57 0.00 0.23 0.00 0.00 176.35 177.06 3gnq n ALA 78 N -1.00 1.43 -3.75 4.21 0.00 -1.26 -2.83 120.51 117.31 3gnq n ALA 78 Ca -0.05 -2.75 -0.24 0.00 0.00 0.00 0.00 53.44 50.39 3gnq n ALA 78 Cb 0.60 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.92 3gnq n ALA 78 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gnq s ASN 79 N -0.85 1.75 0.52 0.00 3.84 -1.25 -4.97 114.94 113.98 3gnq s ASN 79 Ca 0.34 -0.22 0.31 0.00 0.21 0.00 0.00 52.86 53.50 3gnq s ASN 79 Cb 0.14 -0.67 1.24 0.00 -0.55 0.00 0.00 41.25 41.40 3gnq s ASN 79 CO -0.15 -0.10 1.94 0.03 -2.79 0.00 0.00 177.10 176.03 3gnq h ARG 80 N 7.83 0.00 -4.52 0.43 3.08 -1.99 -3.42 114.38 115.79 3gnq h ARG 80 Ca -0.29 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.04 3gnq h ARG 80 Cb 1.14 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.98 3gnq h ARG 80 CO 0.40 0.05 -0.19 1.21 -1.07 0.00 0.00 179.97 180.37 3gnq s ASN 81 N -5.83 6.18 0.46 7.04 2.47 -1.26 -4.97 114.94 119.02 3gnq s ASN 81 Ca 0.01 -1.22 0.22 0.00 0.42 0.00 0.00 52.86 52.29 3gnq s ASN 81 Cb 0.09 -2.22 1.21 0.00 -1.45 0.00 0.00 41.25 38.88 3gnq s ASN 81 CO 0.57 -0.75 1.88 -0.65 -3.72 0.00 0.00 177.10 174.43 3gnq h PRO 82 N 8.85 0.26 0.00 0.43 0.11 -1.88 -1.23 132.00 138.53 3gnq h PRO 82 Ca -0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3gnq h PRO 82 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3gnq h PRO 82 CO 0.92 0.17 -0.17 0.00 -0.21 0.00 0.00 178.00 178.71 3gnq h ALA 83 N 1.61 1.28 -0.04 -0.75 0.00 -1.93 -2.14 119.26 117.30 3gnq h ALA 83 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gnq h ALA 83 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gnq h ALA 83 CO -0.11 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.74 3gnq n GLU 84 N -3.71 1.37 -2.79 0.00 1.02 -0.47 -4.12 120.64 111.96 3gnq n GLU 84 Ca -0.02 -0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 56.26 3gnq n GLU 84 Cb 0.29 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 3gnq n GLU 84 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gnq s LEU 85 N -1.85 3.86 -0.94 -4.62 1.43 -0.80 -4.97 118.68 110.79 3gnq s LEU 85 Ca 0.38 1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 54.91 3gnq s LEU 85 Cb 0.19 -4.33 0.21 0.00 0.03 0.00 0.00 46.19 42.30 3gnq s LEU 85 CO 0.31 -0.39 2.25 -0.81 0.23 0.00 0.00 176.35 177.94 3gnq n PRO 86 N -0.95 3.92 -0.02 1.29 -0.04 -1.26 -4.67 135.00 133.27 3gnq n PRO 86 Ca 0.05 -3.54 -0.12 0.00 -0.04 0.00 0.00 63.50 59.85 3gnq n PRO 86 Cb 0.54 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3gnq n PRO 86 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3gnq h TRP 87 N 3.77 0.86 0.36 0.54 -0.00 -1.81 -2.44 115.95 117.24 3gnq h TRP 87 Ca 0.56 -0.33 -0.02 0.00 -0.00 0.00 0.00 58.89 59.10 3gnq h TRP 87 Cb 0.35 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 29.35 3gnq h TRP 87 CO 1.41 1.11 -0.20 0.78 -0.00 0.00 0.00 178.44 181.55 3gnq h GLY 88 N 0.90 -0.54 -0.34 1.49 0.00 -1.44 0.37 103.07 103.51 3gnq h GLY 88 Ca -0.01 0.22 0.17 0.00 0.00 0.00 0.00 47.33 47.71 3gnq h GLY 88 CO 0.12 -0.20 0.02 -2.09 0.00 0.00 0.00 176.54 174.39 3gnq h GLU 89 N -0.52 0.11 0.00 4.80 4.81 -1.86 -0.98 114.58 120.94 3gnq h GLU 89 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3gnq h GLU 89 Cb 0.42 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3gnq h GLU 89 CO 0.06 0.07 -0.18 1.28 -0.73 0.00 0.00 179.01 179.52 3gnq n LEU 90 N -5.33 0.58 -1.72 1.64 4.77 -0.92 -4.96 117.00 111.05 3gnq n LEU 90 Ca 0.14 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.45 3gnq n LEU 90 Cb 0.48 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3gnq n LEU 90 CO 0.05 -0.09 0.08 0.61 -1.33 0.00 0.00 177.39 176.71 3gnq n GLY 91 N 1.38 0.27 3.67 -0.72 0.00 0.12 -4.94 105.19 104.97 3gnq n GLY 91 Ca 0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3gnq n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gnq s VAL 92 N -3.04 3.31 0.02 1.61 1.01 -0.69 -4.69 120.40 117.93 3gnq s VAL 92 Ca 0.22 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 3gnq s VAL 92 Cb -0.10 -3.33 -0.28 0.00 0.00 0.00 0.00 36.38 32.67 3gnq s VAL 92 CO 0.27 -0.03 0.92 0.44 0.00 0.00 0.00 175.10 176.70 3gnq h ASP 93 N 9.32 0.43 -3.30 3.32 3.32 -1.27 -2.56 116.42 125.66 3gnq h ASP 93 Ca -0.42 -0.55 -0.40 0.00 0.02 0.00 0.00 57.03 55.68 3gnq h ASP 93 Cb 1.20 -0.14 -0.38 0.00 0.22 0.00 0.00 39.33 40.23 3gnq h ASP 93 CO 0.94 1.45 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.47 3gnq s VAL 94 N -2.62 0.13 -0.12 -1.35 1.01 -0.98 -1.29 120.40 115.18 3gnq s VAL 94 Ca -0.08 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3gnq s VAL 94 Cb 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 3gnq s VAL 94 CO 0.86 0.21 0.51 -0.69 0.00 0.00 0.00 175.10 176.00 3gnq s VAL 95 N 1.97 5.16 -0.41 2.92 1.01 -0.04 -1.70 120.40 129.31 3gnq s VAL 95 Ca 0.04 1.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.84 3gnq s VAL 95 Cb -0.12 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.43 3gnq s VAL 95 CO -0.04 0.30 0.56 -0.04 0.00 0.00 0.00 175.10 175.88 3gnq s MET 96 N 0.74 3.32 -0.54 2.72 -1.94 0.19 -1.39 119.30 122.40 3gnq s MET 96 Ca 0.27 -0.41 -0.19 0.00 -1.71 0.00 0.00 55.69 53.65 3gnq s MET 96 Cb -0.15 -3.92 0.08 0.00 2.01 0.00 0.00 34.83 32.85 3gnq s MET 96 CO 0.11 -0.87 0.64 -2.00 -0.01 0.00 0.00 175.02 172.89 3gnq s GLU 97 N 2.53 3.08 -0.12 2.03 2.56 0.01 -0.17 118.70 128.61 3gnq s GLU 97 Ca 0.19 -1.13 0.15 0.00 0.00 0.00 0.00 54.97 54.18 3gnq s GLU 97 Cb -0.15 -4.18 0.33 0.00 2.00 0.00 0.00 34.13 32.13 3gnq s GLU 97 CO 0.16 -1.36 1.16 0.00 -0.56 0.00 0.00 175.26 174.67 3gnq h THR 99 N 2.58 0.89 0.00 0.00 1.35 -1.79 -3.43 112.91 112.51 3gnq h THR 99 Ca -0.04 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 3gnq h THR 99 Cb 1.21 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3gnq h THR 99 CO 0.02 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3gnq n GLY 100 N 1.51 1.14 0.85 5.82 0.00 -1.26 -4.91 105.19 108.34 3gnq n GLY 100 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.98 3gnq n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gnq n PHE 101 N -2.00 0.16 -3.16 1.61 3.01 -1.26 -4.63 117.46 111.19 3gnq n PHE 101 Ca 0.00 -0.10 -0.19 0.00 1.01 0.00 0.00 57.45 58.17 3gnq n PHE 101 Cb 0.00 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 3gnq n PHE 101 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3gnq n PHE 102 N 1.13 -0.19 1.02 1.38 3.72 -1.26 -4.94 117.46 118.32 3gnq n PHE 102 Ca 0.13 -3.62 0.11 0.00 -0.05 0.00 0.00 57.45 54.02 3gnq n PHE 102 Cb 0.50 -0.25 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 3gnq n PHE 102 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gnq n THR 103 N 0.59 0.00 -3.74 4.37 -2.24 -1.26 -4.26 114.28 107.74 3gnq n THR 103 Ca 0.23 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.71 3gnq n THR 103 Cb 0.63 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 3gnq n THR 103 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gnq s SER 104 N -2.89 6.35 0.20 3.42 1.04 -1.26 -1.69 113.70 118.88 3gnq s SER 104 Ca 0.12 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 3gnq s SER 104 Cb 0.17 -1.97 0.20 0.00 0.10 0.00 0.00 66.02 64.52 3gnq s SER 104 CO 0.74 -0.07 1.80 0.50 0.98 0.00 0.00 173.24 177.19 3gnq h LYS 105 N 1.68 0.59 -0.30 4.02 3.64 -1.86 0.36 116.57 124.71 3gnq h LYS 105 Ca -0.49 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.92 3gnq h LYS 105 Cb 1.20 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.81 3gnq h LYS 105 CO 0.66 0.39 -0.30 1.49 -2.27 0.00 0.00 179.45 179.43 3gnq h GLU 106 N 0.61 -0.27 -0.20 1.90 4.81 -1.94 0.33 114.58 119.82 3gnq h GLU 106 Ca 0.27 0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.32 3gnq h GLU 106 Cb 0.16 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3gnq h GLU 106 CO -0.17 -0.18 -0.66 0.87 -0.73 0.00 0.00 179.01 178.14 3gnq h LYS 107 N -0.28 0.74 0.00 1.92 1.57 -1.87 -3.28 116.57 115.38 3gnq h LYS 107 Ca 0.15 -0.54 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3gnq h LYS 107 Cb 0.51 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3gnq h LYS 107 CO -0.45 1.16 -0.14 0.00 -0.57 0.00 0.00 179.45 179.45 3gnq h ALA 108 N 0.71 1.03 0.00 3.86 0.00 0.07 -2.78 119.26 122.16 3gnq h ALA 108 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gnq h ALA 108 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gnq h ALA 108 CO 0.14 0.17 0.00 0.43 0.00 0.00 0.00 179.25 179.98 3gnq n SER 109 N -3.30 0.41 0.23 0.00 7.64 0.11 -1.44 113.62 117.27 3gnq n SER 109 Ca 0.00 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.65 3gnq n SER 109 Cb 0.37 -0.72 0.69 0.00 -1.01 0.00 0.00 64.21 63.53 3gnq n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gnq h ALA 110 N 2.12 2.00 -0.28 -0.43 0.00 -1.67 -1.53 119.26 119.47 3gnq h ALA 110 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3gnq h ALA 110 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gnq h ALA 110 CO 0.00 -0.10 -0.28 0.45 0.00 0.00 0.00 179.25 179.32 3gnq h HIS 111 N 0.00 0.66 0.03 0.00 3.86 -1.49 -2.11 115.15 116.11 3gnq h HIS 111 Ca 0.04 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3gnq h HIS 111 Cb 0.16 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3gnq h HIS 111 CO 0.00 0.80 -0.02 -0.07 0.86 0.00 0.00 177.93 179.50 3gnq h LEU 112 N 0.50 -0.04 -1.52 2.43 4.07 -1.46 -1.85 115.31 117.44 3gnq h LEU 112 Ca 0.07 -0.26 0.37 0.00 0.08 0.00 0.00 57.88 58.13 3gnq h LEU 112 Cb 0.74 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 42.39 3gnq h LEU 112 CO 0.06 0.24 0.82 0.11 -1.08 0.00 0.00 178.44 178.59 3gnq h LYS 113 N -0.32 0.17 -0.00 1.13 6.56 -1.26 0.06 116.57 122.90 3gnq h LYS 113 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3gnq h LYS 113 Cb 0.30 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3gnq h LYS 113 CO 0.01 0.11 -0.20 0.41 -2.06 0.00 0.00 179.45 177.72 3gnq n GLY 114 N -1.57 -1.01 0.00 3.86 0.00 -0.80 -4.94 105.19 100.73 3gnq n GLY 114 Ca 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3gnq n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gnq n GLY 115 N 1.36 0.96 3.79 -0.02 0.00 0.01 -2.54 105.19 108.75 3gnq n GLY 115 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3gnq n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnq s ALA 116 N -2.00 3.08 0.03 4.61 0.00 -0.73 -3.15 121.76 123.60 3gnq s ALA 116 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 3gnq s ALA 116 Cb 0.00 -3.24 -0.30 0.00 0.00 0.00 0.00 23.12 19.58 3gnq s ALA 116 CO 0.00 -0.10 0.96 0.87 0.00 0.00 0.00 175.76 177.50 3gnq h LYS 117 N 2.46 0.34 -3.93 0.00 1.57 -1.57 -3.38 116.57 112.06 3gnq h LYS 117 Ca -0.48 -0.57 -0.11 0.00 -1.87 0.00 0.00 60.65 57.62 3gnq h LYS 117 Cb 1.21 0.21 -0.13 0.00 0.08 0.00 0.00 32.23 33.60 3gnq h LYS 117 CO 0.62 1.24 -0.38 0.15 -0.57 0.00 0.00 179.45 180.52 3gnq s LYS 118 N -2.62 1.03 -0.02 3.15 1.02 -0.41 -4.86 119.74 117.02 3gnq s LYS 118 Ca -0.08 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.77 3gnq s LYS 118 Cb 0.06 0.35 0.03 0.00 -0.52 0.00 0.00 37.83 37.75 3gnq s LYS 118 CO 0.88 -0.36 0.02 0.08 -0.92 0.00 0.00 175.35 175.06 3gnq s VAL 119 N -3.95 0.01 -0.30 3.17 1.01 0.10 -0.86 120.40 119.59 3gnq s VAL 119 Ca 0.14 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3gnq s VAL 119 Cb 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.29 3gnq s VAL 119 CO -0.03 0.11 0.07 -0.63 0.00 0.00 0.00 175.10 174.62 3gnq s ILE 120 N 1.12 3.82 -0.06 2.22 1.01 -0.49 -1.35 121.20 127.47 3gnq s ILE 120 Ca -0.08 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3gnq s ILE 120 Cb -0.13 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3gnq s ILE 120 CO -0.03 0.06 0.96 -0.63 0.00 0.00 0.00 174.94 175.30 3gnq s ILE 121 N 1.47 4.85 -0.30 2.92 1.01 0.04 -0.81 121.20 130.38 3gnq s ILE 121 Ca 0.02 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.59 3gnq s ILE 121 Cb -0.17 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 3gnq s ILE 121 CO 0.02 0.10 3.23 -1.54 0.00 0.00 0.00 174.94 176.75 3gnq n SER 122 N 4.39 5.99 -3.61 3.58 3.41 -0.46 -0.90 113.62 126.01 3gnq n SER 122 Ca 0.06 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 3gnq n SER 122 Cb 0.50 -1.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.08 3gnq n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gnq s ALA 123 N -0.05 -2.31 0.33 7.33 0.00 -1.11 -4.95 121.76 120.99 3gnq s ALA 123 Ca 0.64 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.80 3gnq s ALA 123 Cb 0.33 -0.12 -0.12 0.00 0.00 0.00 0.00 23.12 23.21 3gnq s ALA 123 CO -0.09 -0.76 1.45 -2.30 0.00 0.00 0.00 175.76 174.06 3gnq n PRO 124 N -0.22 2.45 -3.53 0.00 -0.02 -1.15 -3.66 135.00 128.88 3gnq n PRO 124 Ca -0.01 0.86 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 3gnq n PRO 124 Cb 0.59 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3gnq n PRO 124 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gnq s GLY 125 N 0.03 1.32 1.09 -1.23 0.00 -1.26 -4.93 107.32 102.35 3gnq s GLY 125 Ca 0.58 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 3gnq s GLY 125 CO 0.58 -0.94 0.66 0.61 0.00 0.00 0.00 173.10 174.01 3gnq n GLY 126 N -1.65 -1.91 0.00 0.20 0.00 -0.68 -4.86 105.19 96.29 3gnq n GLY 126 Ca -0.06 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.14 3gnq n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 127 N -3.58 0.73 0.00 1.61 5.02 -1.26 -2.75 118.16 117.93 3gnq n LYS 127 Ca 0.04 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.46 3gnq n LYS 127 Cb 0.56 -1.50 0.42 0.00 -0.02 0.00 0.00 35.03 34.49 3gnq n LYS 127 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gnq n ASP 128 N -1.00 1.02 -4.77 4.39 3.85 -1.26 -4.96 116.55 113.82 3gnq n ASP 128 Ca 0.18 -0.93 -0.32 0.00 -0.71 0.00 0.00 54.79 53.01 3gnq n ASP 128 Cb 0.08 0.09 0.08 0.00 -1.35 0.00 0.00 41.12 40.02 3gnq n ASP 128 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3gnq s VAL 129 N -2.44 3.27 -0.10 2.12 -7.23 -1.11 -4.74 120.40 110.18 3gnq s VAL 129 Ca 0.27 0.47 0.13 0.00 -1.81 0.00 0.00 61.98 61.04 3gnq s VAL 129 Cb 0.20 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 3gnq s VAL 129 CO 0.49 -0.49 1.40 0.44 -0.31 0.00 0.00 175.10 176.63 3gnq h ASP 130 N -0.77 0.00 -4.79 4.85 3.32 -1.58 -3.47 116.42 113.97 3gnq h ASP 130 Ca -0.45 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.63 3gnq h ASP 130 Cb 1.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 3gnq h ASP 130 CO 0.52 0.62 0.34 0.00 -1.72 0.00 0.00 179.24 178.99 3gnq s ALA 131 N -2.90 -1.73 -0.14 3.45 0.00 -1.26 -5.02 121.76 114.15 3gnq s ALA 131 Ca 0.03 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.92 3gnq s ALA 131 Cb 0.08 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3gnq s ALA 131 CO 0.76 -0.63 -0.20 0.99 0.00 0.00 0.00 175.76 176.68 3gnq s THR 132 N -2.88 1.91 -0.13 0.00 2.01 -1.26 -0.02 115.64 115.28 3gnq s THR 132 Ca 0.00 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.14 3gnq s THR 132 Cb -0.01 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.80 3gnq s THR 132 CO -0.07 0.52 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.54 3gnq s ILE 133 N 0.95 2.12 -0.44 1.82 -1.09 0.51 -4.64 121.20 120.43 3gnq s ILE 133 Ca -0.05 -0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 3gnq s ILE 133 Cb -0.15 -1.84 0.09 0.00 -1.58 0.00 0.00 42.46 38.98 3gnq s ILE 133 CO -0.04 0.55 0.32 -0.69 -1.23 0.00 0.00 174.94 173.85 3gnq s VAL 134 N 0.68 4.50 0.30 2.92 1.01 -1.26 -4.03 120.40 124.53 3gnq s VAL 134 Ca -0.10 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.20 3gnq s VAL 134 Cb -0.16 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 3gnq s VAL 134 CO 0.01 -0.58 1.43 0.00 0.00 0.00 0.00 175.10 175.96 3gnq n TYR 135 N 5.00 2.46 0.00 5.22 9.36 -1.26 -0.81 117.16 137.13 3gnq n TYR 135 Ca -0.10 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.54 3gnq n TYR 135 Cb 0.43 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 3gnq n TYR 135 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gnq n GLY 136 N 1.53 2.29 0.60 2.98 0.00 -1.26 -4.83 105.19 106.51 3gnq n GLY 136 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3gnq n GLY 136 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gnq n VAL 137 N -2.00 1.02 -1.79 1.61 0.31 0.01 -4.91 118.33 112.59 3gnq n VAL 137 Ca 0.00 0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.41 3gnq n VAL 137 Cb 0.00 -1.80 0.06 0.00 -0.91 0.00 0.00 33.84 31.18 3gnq n VAL 137 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3gnq n ASN 138 N -3.75 0.92 0.24 4.52 6.94 -0.87 -4.83 115.26 118.43 3gnq n ASN 138 Ca -0.16 -2.45 0.16 0.00 -0.02 0.00 0.00 54.58 52.11 3gnq n ASN 138 Cb 0.47 -0.30 0.85 0.00 -2.36 0.00 0.00 39.78 38.43 3gnq n ASN 138 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3gnq h HIS 139 N 0.22 0.00 0.00 -2.53 2.07 -1.91 -1.78 115.15 111.22 3gnq h HIS 139 Ca -0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.49 3gnq h HIS 139 Cb 1.33 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.31 3gnq h HIS 139 CO 0.14 0.00 -0.01 -0.44 -3.07 0.00 0.00 177.93 174.55 3gnq h ASP 140 N 0.00 0.00 0.40 3.10 3.32 -1.96 -2.88 116.42 118.40 3gnq h ASP 140 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gnq h ASP 140 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3gnq h ASP 140 CO 0.00 0.01 0.00 1.33 -1.72 0.00 0.00 179.24 178.86 3gnq n VAL 141 N -3.18 0.23 -2.23 -1.35 0.24 -0.67 -4.85 118.33 106.51 3gnq n VAL 141 Ca -0.02 0.06 -0.40 0.00 -2.04 0.00 0.00 64.34 61.94 3gnq n VAL 141 Cb 0.12 -0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 31.80 3gnq n VAL 141 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gnq s LEU 142 N -2.51 4.33 0.06 1.34 1.43 -1.09 -5.04 118.68 117.20 3gnq s LEU 142 Ca 0.24 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.88 3gnq s LEU 142 Cb 0.16 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 3gnq s LEU 142 CO 0.35 -0.57 -0.16 -0.54 0.23 0.00 0.00 176.35 175.66 3gnq s LYS 143 N -1.99 1.01 0.43 1.70 1.02 -1.26 -4.52 119.74 116.13 3gnq s LYS 143 Ca 0.52 -0.90 0.25 0.00 0.02 0.00 0.00 55.97 55.87 3gnq s LYS 143 Cb -0.35 -1.07 1.29 0.00 -0.52 0.00 0.00 37.83 37.18 3gnq s LYS 143 CO 0.45 0.26 1.70 0.00 -0.92 0.00 0.00 175.35 176.84 3gnq h ALA 144 N 4.64 2.54 0.00 5.17 0.00 -1.86 0.13 119.26 129.87 3gnq h ALA 144 Ca -0.41 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3gnq h ALA 144 Cb 1.18 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gnq h ALA 144 CO 0.42 -1.05 0.00 1.05 0.00 0.00 0.00 179.25 179.67 3gnq h GLU 145 N 0.22 0.00 -6.36 0.00 4.11 -1.96 -3.43 114.58 107.16 3gnq h GLU 145 Ca 0.70 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 59.59 3gnq h GLU 145 Cb 2.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 3gnq h GLU 145 CO -0.33 0.00 0.89 -1.01 0.07 0.00 0.00 179.01 178.62 3gnq s HIS 146 N -3.28 2.70 -0.11 2.06 3.76 0.44 -4.89 115.29 115.97 3gnq s HIS 146 Ca 0.06 0.69 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 3gnq s HIS 146 Cb 0.10 -3.72 -0.09 0.00 1.11 0.00 0.00 32.58 29.98 3gnq s HIS 146 CO 0.49 -2.76 -0.07 0.25 -0.85 0.00 0.00 174.74 171.80 3gnq n THR 147 N 4.79 0.67 -3.84 1.30 -2.24 -1.26 -4.94 114.28 108.76 3gnq n THR 147 Ca 0.14 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 3gnq n THR 147 Cb 0.43 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.63 3gnq n THR 147 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gnq s VAL 148 N -2.23 1.31 0.37 2.28 1.01 -1.26 0.02 120.40 121.90 3gnq s VAL 148 Ca -0.13 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.43 3gnq s VAL 148 Cb 0.04 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3gnq s VAL 148 CO 0.30 -0.49 0.21 0.27 0.00 0.00 0.00 175.10 175.40 3gnq s ILE 149 N 1.43 2.82 -0.10 2.22 -4.36 -0.46 -1.34 121.20 121.41 3gnq s ILE 149 Ca 0.06 -1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 58.83 3gnq s ILE 149 Cb -0.18 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.49 3gnq s ILE 149 CO -0.16 -0.10 -0.01 -0.55 0.24 0.00 0.00 174.94 174.36 3gnq s SER 150 N -3.93 5.08 -0.01 4.36 0.15 0.98 -0.78 113.70 119.55 3gnq s SER 150 Ca 0.41 0.06 0.08 0.00 0.70 0.00 0.00 55.95 57.20 3gnq s SER 150 Cb -0.01 -1.51 0.25 0.00 -1.71 0.00 0.00 66.02 63.05 3gnq s SER 150 CO 0.24 0.33 1.18 -3.20 1.20 0.00 0.00 173.24 172.99 3gnq n ASN 151 N 2.49 1.62 0.00 5.45 5.15 -0.08 -0.36 115.26 129.53 3gnq n ASN 151 Ca -0.18 -2.03 0.00 0.00 -0.60 0.00 0.00 54.58 51.77 3gnq n ASN 151 Cb 0.53 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 3gnq n ASN 151 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gnq n ALA 152 N 0.31 0.00 -2.57 5.20 0.00 -1.24 -4.69 120.51 117.53 3gnq n ALA 152 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 3gnq n ALA 152 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 3gnq n ALA 152 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gnq s SER 153 N -4.00 5.50 0.24 0.00 1.04 -1.26 -2.77 113.70 112.45 3gnq s SER 153 Ca 0.00 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 3gnq s SER 153 Cb 0.00 -1.13 0.41 0.00 0.10 0.00 0.00 66.02 65.40 3gnq s SER 153 CO 0.00 -0.30 1.78 0.00 0.98 0.00 0.00 173.24 175.70 3gnq h THR 155 N 0.66 1.15 -0.83 0.00 2.02 -1.95 -1.89 112.91 112.08 3gnq h THR 155 Ca 0.40 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 67.14 3gnq h THR 155 Cb 0.45 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 3gnq h THR 155 CO -0.29 0.14 0.54 0.74 0.37 0.00 0.00 175.52 177.02 3gnq h THR 156 N 0.08 1.16 -0.13 3.16 2.02 -1.80 0.58 112.91 117.99 3gnq h THR 156 Ca 0.05 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3gnq h THR 156 Cb 0.17 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3gnq h THR 156 CO -0.00 0.20 0.13 0.78 0.37 0.00 0.00 175.52 176.99 3gnq h ASN 157 N 1.07 0.00 0.16 4.18 4.21 -1.19 0.08 115.58 124.10 3gnq h ASN 157 Ca 0.32 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.51 3gnq h ASN 157 Cb -0.05 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.16 3gnq h ASN 157 CO -0.10 0.00 -1.61 0.00 -1.29 0.00 0.00 177.43 174.43 3gnq h LEU 159 N -0.04 0.22 -0.08 0.00 6.46 0.58 -3.16 115.31 119.29 3gnq h LEU 159 Ca -0.32 -0.48 0.02 0.00 -0.12 0.00 0.00 57.88 56.98 3gnq h LEU 159 Cb 1.98 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.82 3gnq h LEU 159 CO 0.14 0.66 -0.05 0.00 -0.62 0.00 0.00 178.44 178.57 3gnq h ALA 160 N 0.57 0.02 0.00 1.25 0.00 -1.21 0.27 119.26 120.16 3gnq h ALA 160 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gnq h ALA 160 Cb 0.59 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3gnq h ALA 160 CO 0.02 -0.52 -0.24 -1.35 0.00 0.00 0.00 179.25 177.16 3gnq h PRO 161 N -0.05 0.00 0.04 0.00 0.11 -1.77 -0.79 132.00 129.54 3gnq h PRO 161 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3gnq h PRO 161 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3gnq h PRO 161 CO -0.12 0.24 -0.02 1.25 -0.21 0.00 0.00 178.00 179.15 3gnq h LEU 162 N 0.00 -0.04 0.00 2.35 6.46 -1.25 -3.34 115.31 119.49 3gnq h LEU 162 Ca -0.00 -0.36 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 3gnq h LEU 162 Cb 0.54 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3gnq h LEU 162 CO 0.03 0.34 -0.41 1.62 -0.62 0.00 0.00 178.44 179.40 3gnq h VAL 163 N -0.43 0.49 0.57 1.05 3.04 -0.20 -3.38 116.25 117.38 3gnq h VAL 163 Ca -0.01 -1.71 -0.03 0.00 -1.01 0.00 0.00 66.70 63.95 3gnq h VAL 163 Cb 0.40 2.20 0.01 0.00 -2.01 0.00 0.00 31.29 31.89 3gnq h VAL 163 CO 0.01 0.28 -0.27 0.50 -1.01 0.00 0.00 177.57 177.07 3gnq h LYS 164 N 0.00 -0.74 -0.78 4.17 3.64 -1.27 -1.49 116.57 120.10 3gnq h LYS 164 Ca -0.01 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3gnq h LYS 164 Cb 1.24 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.18 3gnq h LYS 164 CO 0.04 -0.45 0.51 -1.35 -2.27 0.00 0.00 179.45 175.93 3gnq h PRO 165 N -0.89 0.73 -0.17 1.90 0.11 -1.74 -1.18 132.00 130.75 3gnq h PRO 165 Ca -0.08 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.77 3gnq h PRO 165 Cb 0.63 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.58 3gnq h PRO 165 CO 0.13 0.48 -0.73 -0.07 -0.21 0.00 0.00 178.00 177.60 3gnq h LEU 166 N 0.75 0.91 -0.68 2.35 3.38 -1.70 -1.66 115.31 118.67 3gnq h LEU 166 Ca 0.35 -0.58 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3gnq h LEU 166 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gnq h LEU 166 CO -0.13 1.37 -0.19 -1.13 0.09 0.00 0.00 178.44 178.45 3gnq h ASN 167 N 0.55 0.83 -0.57 -0.43 -1.24 -0.91 -0.45 115.58 113.35 3gnq h ASN 167 Ca -0.04 -0.29 -0.11 0.00 0.71 0.00 0.00 56.30 56.58 3gnq h ASN 167 Cb 1.35 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 3gnq h ASN 167 CO 0.15 1.00 -0.06 0.44 -1.29 0.00 0.00 177.43 177.67 3gnq h ASP 168 N 0.72 1.05 0.01 1.15 3.32 -1.14 -2.16 116.42 119.37 3gnq h ASP 168 Ca 0.11 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3gnq h ASP 168 Cb 0.71 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3gnq h ASP 168 CO 0.05 1.13 -1.78 0.29 -1.72 0.00 0.00 179.24 177.22 3gnq n LYS 169 N -4.16 0.52 0.00 3.56 4.76 -0.63 -4.67 118.16 117.53 3gnq n LYS 169 Ca 0.02 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3gnq n LYS 169 Cb 0.38 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3gnq n LYS 169 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gnq n ILE 170 N -2.10 0.00 0.00 -0.18 5.41 -0.30 -5.07 119.36 117.13 3gnq n ILE 170 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3gnq n ILE 170 Cb 0.52 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 3gnq n ILE 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gnq n GLY 171 N 2.78 -0.06 3.33 7.39 0.00 -0.50 -3.99 105.19 114.15 3gnq n GLY 171 Ca 0.00 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 3gnq n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gnq s LEU 172 N -0.61 2.80 -0.05 0.99 0.20 -1.26 -1.69 118.68 119.07 3gnq s LEU 172 Ca 0.00 -0.36 -0.00 0.00 0.69 0.00 0.00 54.13 54.45 3gnq s LEU 172 Cb 0.00 -1.67 -0.00 0.00 -0.43 0.00 0.00 46.19 44.09 3gnq s LEU 172 CO 0.00 0.07 0.01 -0.08 -0.29 0.00 0.00 176.35 176.06 3gnq h GLU 173 N 7.44 -0.00 -4.44 1.98 4.57 -1.53 -3.48 114.58 119.12 3gnq h GLU 173 Ca -0.35 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.63 3gnq h GLU 173 Cb 1.18 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.63 3gnq h GLU 173 CO 0.59 -0.00 -0.60 0.95 -1.18 0.00 0.00 179.01 178.77 3gnq s THR 174 N -1.28 0.05 0.03 0.32 -4.23 -1.26 -4.89 115.64 104.38 3gnq s THR 174 Ca -0.00 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 3gnq s THR 174 Cb 0.00 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3gnq s THR 174 CO 0.00 -0.25 0.24 -0.83 -0.54 0.00 0.00 174.62 173.24 3gnq s GLY 175 N -3.09 -0.04 0.00 3.99 0.00 -0.82 -1.87 107.32 105.49 3gnq s GLY 175 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.93 3gnq s GLY 175 CO 0.06 -0.30 -0.04 1.08 0.00 0.00 0.00 173.10 173.90 3gnq s LEU 176 N -1.95 2.04 -0.01 0.66 1.43 0.42 -2.61 118.68 118.67 3gnq s LEU 176 Ca -0.07 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3gnq s LEU 176 Cb -0.02 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 3gnq s LEU 176 CO -0.02 0.02 -0.15 -0.32 0.23 0.00 0.00 176.35 176.11 3gnq s MET 177 N -0.27 1.16 -0.08 1.70 -2.45 -0.49 -0.82 119.30 118.06 3gnq s MET 177 Ca 0.00 -0.54 0.05 0.00 -1.25 0.00 0.00 55.69 53.94 3gnq s MET 177 Cb -0.03 -1.13 -0.01 0.00 1.25 0.00 0.00 34.83 34.92 3gnq s MET 177 CO -0.00 0.31 -0.23 0.99 1.05 0.00 0.00 175.02 177.13 3gnq s THR 178 N -0.38 2.16 -0.21 10.11 2.01 -0.59 -1.48 115.64 127.26 3gnq s THR 178 Ca 0.05 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3gnq s THR 178 Cb -0.06 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3gnq s THR 178 CO -0.00 0.56 -0.01 0.28 -0.69 0.00 0.00 174.62 174.76 3gnq s THR 179 N 0.05 3.81 -0.40 -0.82 -1.32 -0.31 -0.35 115.64 116.31 3gnq s THR 179 Ca -0.10 -0.36 -0.19 0.00 -1.21 0.00 0.00 61.69 59.83 3gnq s THR 179 Cb -0.15 -2.73 0.01 0.00 -1.51 0.00 0.00 72.50 68.12 3gnq s THR 179 CO 0.06 0.42 0.56 -0.63 -2.21 0.00 0.00 174.62 172.83 3gnq s ILE 180 N 1.12 4.94 -0.06 5.08 1.01 0.85 -0.91 121.20 133.23 3gnq s ILE 180 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.83 3gnq s ILE 180 Cb -0.14 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.23 3gnq s ILE 180 CO 0.01 -0.43 -0.19 -2.28 0.00 0.00 0.00 174.94 172.04 3gnq s HIS 181 N 2.55 1.96 0.77 3.97 2.46 -0.61 -0.87 115.29 125.52 3gnq s HIS 181 Ca 0.19 -0.62 -0.15 0.00 0.47 0.00 0.00 55.06 54.95 3gnq s HIS 181 Cb -0.15 -1.32 0.03 0.00 -0.13 0.00 0.00 32.58 31.01 3gnq s HIS 181 CO 0.16 -0.23 0.92 0.00 -2.47 0.00 0.00 174.74 173.12 3gnq n ALA 182 N 3.23 -0.61 -1.65 1.58 0.00 -1.23 -2.21 120.51 119.61 3gnq n ALA 182 Ca -0.19 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 3gnq n ALA 182 Cb 0.53 -2.09 0.01 0.00 0.00 0.00 0.00 19.45 17.90 3gnq n ALA 182 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3gnq s TYR 183 N -1.99 2.96 0.17 0.00 -0.85 -0.50 -4.79 117.35 112.36 3gnq s TYR 183 Ca 0.70 1.51 0.04 0.00 -0.52 0.00 0.00 57.07 58.80 3gnq s TYR 183 Cb -0.32 -3.02 -0.05 0.00 0.38 0.00 0.00 41.96 38.96 3gnq s TYR 183 CO 0.53 -1.16 -0.06 0.95 -1.52 0.00 0.00 175.55 174.29 3gnq s THR 184 N -2.45 1.06 -1.18 -3.49 -4.23 -1.26 -4.77 115.64 99.32 3gnq s THR 184 Ca 0.64 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 3gnq s THR 184 Cb -0.16 -2.02 0.03 0.00 1.34 0.00 0.00 72.50 71.69 3gnq s THR 184 CO 0.37 -0.59 1.01 0.59 -0.54 0.00 0.00 174.62 175.46 3gnq n ASN 185 N -0.27 0.00 0.00 3.99 3.02 -1.26 -0.41 115.26 120.34 3gnq n ASN 185 Ca -0.08 0.39 0.09 0.00 -0.03 0.00 0.00 54.58 54.95 3gnq n ASN 185 Cb 0.62 -0.41 0.40 0.00 -0.61 0.00 0.00 39.78 39.78 3gnq n ASN 185 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gnq n ASP 186 N -1.41 0.00 -2.90 6.41 3.85 -1.26 -4.89 116.55 116.35 3gnq n ASP 186 Ca 0.01 0.40 -0.07 0.00 -0.71 0.00 0.00 54.79 54.42 3gnq n ASP 186 Cb 0.03 -0.46 0.03 0.00 -1.35 0.00 0.00 41.12 39.37 3gnq n ASP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gnq n GLN 187 N -1.46 0.66 -4.24 0.11 6.02 0.45 -5.02 117.38 113.91 3gnq n GLN 187 Ca 0.05 -0.96 -0.19 0.00 -0.01 0.00 0.00 57.00 55.89 3gnq n GLN 187 Cb 0.20 -0.14 -0.11 0.00 1.02 0.00 0.00 30.24 31.21 3gnq n GLN 187 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3gnq s VAL 188 N -0.46 1.37 -0.12 5.09 -7.23 -1.26 -5.03 120.40 112.76 3gnq s VAL 188 Ca 0.21 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.47 3gnq s VAL 188 Cb -0.01 -1.49 -0.22 0.00 0.56 0.00 0.00 36.38 35.21 3gnq s VAL 188 CO 0.13 -0.35 0.70 -0.07 -0.31 0.00 0.00 175.10 175.20 3gnq h LEU 189 N 3.66 -0.01 -8.27 1.32 3.38 -1.95 -0.29 115.31 113.14 3gnq h LEU 189 Ca -0.41 -0.81 -0.41 0.00 0.09 0.00 0.00 57.88 56.34 3gnq h LEU 189 Cb 1.19 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.70 3gnq h LEU 189 CO 0.48 0.88 -0.78 0.28 0.09 0.00 0.00 178.44 179.39 3gnq s THR 190 N -2.29 0.97 0.15 0.22 -1.32 -1.26 -4.23 115.64 107.88 3gnq s THR 190 Ca -0.16 -0.97 -0.33 0.00 -1.21 0.00 0.00 61.69 59.02 3gnq s THR 190 Cb -0.02 -0.90 -0.16 0.00 -1.51 0.00 0.00 72.50 69.91 3gnq s THR 190 CO 0.59 -0.06 1.07 0.47 -2.21 0.00 0.00 174.62 174.48 3gnq n ASP 191 N 1.88 0.84 -3.54 8.08 9.92 -1.26 -4.73 116.55 127.74 3gnq n ASP 191 Ca -0.18 1.14 -0.08 0.00 -0.53 0.00 0.00 54.79 55.14 3gnq n ASP 191 Cb 0.55 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 39.85 3gnq n ASP 191 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gnq s VAL 192 N -0.28 0.00 0.34 2.53 0.11 -0.30 -4.98 120.40 117.82 3gnq s VAL 192 Ca 0.74 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.53 3gnq s VAL 192 Cb -0.92 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 32.80 3gnq s VAL 192 CO 0.53 0.00 0.82 0.00 -3.33 0.00 0.00 175.10 173.12 3gnq n TYR 193 N 0.12 0.53 -3.56 1.54 9.36 -1.26 -4.52 117.16 119.37 3gnq n TYR 193 Ca -0.08 0.69 -0.15 0.00 3.32 0.00 0.00 57.90 61.69 3gnq n TYR 193 Cb 0.60 -2.14 -0.06 0.00 -0.63 0.00 0.00 39.34 37.11 3gnq n TYR 193 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3gnq s HIS 194 N -1.20 -0.56 -0.27 2.98 5.65 -1.26 -4.93 115.29 115.69 3gnq s HIS 194 Ca 0.61 1.05 0.23 0.00 0.25 0.00 0.00 55.06 57.20 3gnq s HIS 194 Cb -0.68 0.41 1.14 0.00 -1.18 0.00 0.00 32.58 32.26 3gnq s HIS 194 CO 0.58 -0.47 1.70 -0.85 -0.65 0.00 0.00 174.74 175.05 3gnq n GLU 195 N 1.11 0.17 -4.05 2.88 0.28 -1.26 -4.36 120.64 115.42 3gnq n GLU 195 Ca -0.15 0.57 -0.32 0.00 -0.16 0.00 0.00 57.16 57.10 3gnq n GLU 195 Cb 0.57 -1.95 -0.15 0.00 1.43 0.00 0.00 31.44 31.34 3gnq n GLU 195 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3gnq s ASP 196 N -4.16 4.10 0.56 -1.84 -1.08 -1.26 -5.03 116.67 107.96 3gnq s ASP 196 Ca -0.00 -1.22 0.26 0.00 -0.52 0.00 0.00 52.55 51.06 3gnq s ASP 196 Cb 0.07 -1.45 1.52 0.00 -1.46 0.00 0.00 42.92 41.60 3gnq s ASP 196 CO 0.27 -0.17 2.07 -0.07 0.52 0.00 0.00 175.17 177.80 3gnq h LEU 197 N 7.84 0.00 0.00 -1.34 4.07 -2.00 -0.73 115.31 123.15 3gnq h LEU 197 Ca -0.23 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.73 3gnq h LEU 197 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3gnq h LEU 197 CO 0.48 0.00 -0.00 0.03 -1.08 0.00 0.00 178.44 177.87 3gnq h ARG 198 N 0.00 -0.00 0.00 1.13 3.08 -1.94 -3.21 114.38 113.44 3gnq h ARG 198 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3gnq h ARG 198 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3gnq h ARG 198 CO -0.00 0.98 0.12 0.00 -1.07 0.00 0.00 179.97 179.99 3gnq h ARG 199 N -0.98 0.00 0.00 0.04 3.08 -1.71 0.15 114.38 114.96 3gnq h ARG 199 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gnq h ARG 199 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3gnq h ARG 199 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3gnq n ALA 200 N -1.74 1.79 -2.71 0.04 0.00 -0.34 -4.08 120.51 113.47 3gnq n ALA 200 Ca -0.01 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 3gnq n ALA 200 Cb 0.15 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3gnq n ALA 200 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gnq s ARG 201 N -2.80 3.64 -0.34 0.00 1.81 0.04 -1.15 118.95 120.16 3gnq s ARG 201 Ca 0.11 0.07 -0.44 0.00 -1.72 0.00 0.00 55.73 53.75 3gnq s ARG 201 Cb 0.10 -3.16 -0.20 0.00 -0.45 0.00 0.00 34.95 31.25 3gnq s ARG 201 CO 0.27 0.71 1.45 0.45 -0.68 0.00 0.00 175.30 177.49 3gnq n SER 202 N 1.65 0.92 0.22 0.23 2.88 -1.26 -4.55 113.62 113.71 3gnq n SER 202 Ca -0.15 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.68 3gnq n SER 202 Cb 0.53 -0.91 0.21 0.00 -0.75 0.00 0.00 64.21 63.29 3gnq n SER 202 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gnq h ALA 203 N 4.52 0.96 -0.01 -1.46 0.00 -1.21 -3.28 119.26 118.77 3gnq h ALA 203 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gnq h ALA 203 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3gnq h ALA 203 CO 0.88 0.08 -0.09 0.25 0.00 0.00 0.00 179.25 180.37 3gnq n THR 204 N -3.12 0.00 -0.70 0.00 -2.24 -1.26 -3.89 114.28 103.07 3gnq n THR 204 Ca 0.03 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3gnq n THR 204 Cb 0.53 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3gnq n THR 204 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gnq n HIS 205 N -0.29 0.00 -3.90 4.78 -0.00 -1.24 -4.82 115.22 109.75 3gnq n HIS 205 Ca 0.17 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.72 57.75 3gnq n HIS 205 Cb 0.33 -0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.22 3gnq n HIS 205 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3gnq s SER 206 N -0.09 0.14 -0.29 0.41 0.01 -1.25 -5.07 113.70 107.56 3gnq s SER 206 Ca 0.00 -0.49 -0.26 0.00 1.31 0.00 0.00 55.95 56.51 3gnq s SER 206 Cb 0.00 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.48 3gnq s SER 206 CO 0.00 -0.53 0.90 -1.10 0.41 0.00 0.00 173.24 172.93 3gnq s GLN 207 N -2.62 4.07 -0.32 12.44 -0.21 -1.26 -4.23 119.66 127.54 3gnq s GLN 207 Ca -0.05 0.88 -0.00 0.00 0.02 0.00 0.00 55.36 56.21 3gnq s GLN 207 Cb -0.01 -3.70 0.07 0.00 1.00 0.00 0.00 33.01 30.37 3gnq s GLN 207 CO -0.04 -0.70 0.02 0.42 -2.12 0.00 0.00 175.29 172.87 3gnq s ILE 208 N 3.14 2.77 0.43 1.08 1.01 0.18 -4.93 121.20 124.88 3gnq s ILE 208 Ca 0.38 -1.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.10 3gnq s ILE 208 Cb -0.14 -2.72 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 3gnq s ILE 208 CO 0.11 -0.27 1.09 -2.84 0.00 0.00 0.00 174.94 173.03 3gnq s PRO 209 N 1.15 3.98 -0.14 2.79 0.02 -1.26 -0.41 135.00 141.12 3gnq s PRO 209 Ca -0.01 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.38 3gnq s PRO 209 Cb -0.20 -2.44 0.05 0.00 0.02 0.00 0.00 34.50 31.93 3gnq s PRO 209 CO -0.03 -0.32 0.54 -0.08 -0.33 0.00 0.00 177.00 176.78 3gnq s THR 210 N -1.66 0.01 0.39 0.99 -1.32 -0.25 -4.78 115.64 109.03 3gnq s THR 210 Ca 0.61 -0.08 -0.26 0.00 -1.21 0.00 0.00 61.69 60.76 3gnq s THR 210 Cb -0.24 -0.80 -0.09 0.00 -1.51 0.00 0.00 72.50 69.87 3gnq s THR 210 CO 0.29 -0.04 1.18 -0.54 -2.21 0.00 0.00 174.62 173.30 3gnq s LYS 211 N -0.29 4.10 -0.11 7.08 1.02 -1.26 -1.45 119.74 128.82 3gnq s LYS 211 Ca -0.05 1.88 -0.11 0.00 0.02 0.00 0.00 55.97 57.71 3gnq s LYS 211 Cb -0.03 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3gnq s LYS 211 CO 0.03 -0.29 0.32 -0.08 -0.92 0.00 0.00 175.35 174.41 3gnq s THR 212 N -1.38 0.00 -2.24 2.17 -1.32 -1.26 -4.81 115.64 106.80 3gnq s THR 212 Ca 0.56 -0.03 0.22 0.00 -1.21 0.00 0.00 61.69 61.23 3gnq s THR 212 Cb -0.32 -0.46 0.52 0.00 -1.51 0.00 0.00 72.50 70.73 3gnq s THR 212 CO 0.40 -0.02 1.66 0.61 -2.21 0.00 0.00 174.62 175.06 3gnq n GLY 213 N 2.82 -0.10 0.30 6.08 0.00 -1.26 -4.47 105.19 108.55 3gnq n GLY 213 Ca -0.13 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.55 3gnq n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnq h ALA 214 N 4.01 1.10 0.13 4.61 0.00 -1.96 0.45 119.26 127.60 3gnq h ALA 214 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gnq h ALA 214 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gnq h ALA 214 CO 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 3gnq h ALA 215 N 1.43 -0.17 -0.37 0.00 0.00 -1.89 -3.07 119.26 115.19 3gnq h ALA 215 Ca 0.37 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3gnq h ALA 215 Cb 0.31 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3gnq h ALA 215 CO -0.23 -0.36 0.09 0.00 0.00 0.00 0.00 179.25 178.76 3gnq h ALA 216 N 0.12 0.41 0.00 0.00 0.00 -1.44 -2.55 119.26 115.79 3gnq h ALA 216 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gnq h ALA 216 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gnq h ALA 216 CO 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 179.25 179.01 3gnq n ALA 217 N -2.39 0.97 0.28 0.00 0.00 0.16 -2.36 120.51 117.17 3gnq n ALA 217 Ca 0.02 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.73 3gnq n ALA 217 Cb 0.15 -1.16 0.80 0.00 0.00 0.00 0.00 19.45 19.24 3gnq n ALA 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gnq h VAL 218 N 0.00 0.61 -0.72 0.00 2.07 -1.35 -1.28 116.25 115.59 3gnq h VAL 218 Ca 0.00 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.42 3gnq h VAL 218 Cb 0.08 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3gnq h VAL 218 CO 0.00 0.06 0.48 1.23 0.02 0.00 0.00 177.57 179.36 3gnq h GLY 219 N 0.35 0.62 2.00 2.17 0.00 -1.61 0.77 103.07 107.37 3gnq h GLY 219 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3gnq h GLY 219 CO 0.01 0.06 -0.19 1.41 0.00 0.00 0.00 176.54 177.83 3gnq h LEU 220 N 0.37 0.00 0.00 3.11 3.38 -1.47 -2.86 115.31 117.83 3gnq h LEU 220 Ca 0.35 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 3gnq h LEU 220 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3gnq h LEU 220 CO -0.10 0.19 -1.53 1.33 0.09 0.00 0.00 178.44 178.41 3gnq n VAL 221 N -3.43 0.50 -3.81 1.22 0.24 -0.54 -4.77 118.33 107.74 3gnq n VAL 221 Ca -0.00 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.34 61.67 3gnq n VAL 221 Cb 0.37 -0.71 -0.13 0.00 -1.47 0.00 0.00 33.84 31.90 3gnq n VAL 221 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gnq s LEU 222 N -4.51 3.36 0.47 1.34 1.43 0.26 -4.64 118.68 116.38 3gnq s LEU 222 Ca -0.04 -2.78 0.13 0.00 -1.03 0.00 0.00 54.13 50.42 3gnq s LEU 222 Cb 0.03 -1.28 1.07 0.00 0.03 0.00 0.00 46.19 46.03 3gnq s LEU 222 CO 0.33 -0.25 2.06 -0.65 0.23 0.00 0.00 176.35 178.07 3gnq h PRO 223 N 6.65 0.12 0.00 1.29 0.11 -1.71 -1.17 132.00 137.29 3gnq h PRO 223 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3gnq h PRO 223 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gnq h PRO 223 CO 0.57 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.66 3gnq n GLU 224 N -4.44 0.09 -0.23 1.05 0.00 -1.26 -1.06 120.64 114.80 3gnq n GLU 224 Ca -0.02 0.58 0.06 0.00 0.00 0.00 0.00 57.16 57.78 3gnq n GLU 224 Cb 0.15 -1.79 0.16 0.00 0.00 0.00 0.00 31.44 29.97 3gnq n GLU 224 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gnq n LEU 225 N -1.97 3.06 -4.67 -1.84 4.77 -0.44 -4.99 117.00 110.92 3gnq n LEU 225 Ca -0.01 -2.32 -0.48 0.00 -0.03 0.00 0.00 56.01 53.16 3gnq n LEU 225 Cb 0.03 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 3gnq n LEU 225 CO 0.06 0.69 1.26 -3.20 -1.33 0.00 0.00 177.39 174.87 3gnq n ASN 226 N 0.04 2.96 0.00 -1.43 5.15 -0.22 -1.27 115.26 120.48 3gnq n ASN 226 Ca 0.13 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.16 3gnq n ASN 226 Cb 0.54 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 3gnq n ASN 226 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gnq n GLY 227 N 3.68 0.86 0.06 8.20 0.00 -1.26 -4.88 105.19 111.85 3gnq n GLY 227 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3gnq n GLY 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 228 N -2.02 0.57 -4.65 1.61 5.02 -0.40 -4.95 118.16 113.34 3gnq n LYS 228 Ca 0.00 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 3gnq n LYS 228 Cb 0.00 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.21 3gnq n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gnq s LEU 229 N -4.78 2.48 0.21 -0.35 1.43 -1.26 -1.95 118.68 114.46 3gnq s LEU 229 Ca -0.03 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 3gnq s LEU 229 Cb 0.12 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 3gnq s LEU 229 CO 0.84 0.24 0.26 -0.62 0.23 0.00 0.00 176.35 177.30 3gnq s ASP 230 N -1.53 0.07 0.00 2.29 2.15 -1.07 -3.32 116.67 115.26 3gnq s ASP 230 Ca 0.14 -1.16 0.00 0.00 0.43 0.00 0.00 52.55 51.96 3gnq s ASP 230 Cb -0.10 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 3gnq s ASP 230 CO 0.05 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 3gnq n GLY 231 N -0.29 -1.29 2.20 2.66 0.00 -1.26 -1.39 105.19 105.83 3gnq n GLY 231 Ca -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 3gnq n GLY 231 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gnq n TYR 232 N 3.06 -1.58 -4.36 1.61 0.18 -0.55 -4.58 117.16 110.94 3gnq n TYR 232 Ca 0.00 -1.23 -0.26 0.00 1.88 0.00 0.00 57.90 58.29 3gnq n TYR 232 Cb 0.00 0.49 -0.12 0.00 -0.38 0.00 0.00 39.34 39.32 3gnq n TYR 232 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3gnq s ALA 233 N -1.87 2.20 -0.22 -3.48 0.00 -0.53 -1.16 121.76 116.70 3gnq s ALA 233 Ca 0.12 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3gnq s ALA 233 Cb -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.84 3gnq s ALA 233 CO 0.09 0.43 -0.06 0.42 0.00 0.00 0.00 175.76 176.64 3gnq s ILE 234 N -1.32 1.54 0.09 0.00 1.01 -0.09 -1.08 121.20 121.34 3gnq s ILE 234 Ca 0.13 -1.15 -0.26 0.00 0.00 0.00 0.00 60.65 59.37 3gnq s ILE 234 Cb -0.09 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 3gnq s ILE 234 CO 0.06 -0.03 0.82 -0.13 0.00 0.00 0.00 174.94 175.66 3gnq s ARG 235 N 1.40 4.57 0.27 2.79 1.81 0.45 -1.57 118.95 128.66 3gnq s ARG 235 Ca -0.05 1.18 0.06 0.00 -1.72 0.00 0.00 55.73 55.21 3gnq s ARG 235 Cb -0.18 -3.35 -0.06 0.00 -0.45 0.00 0.00 34.95 30.92 3gnq s ARG 235 CO -0.07 0.32 -0.05 0.14 -0.68 0.00 0.00 175.30 174.96 3gnq s VAL 236 N -0.26 1.55 -1.05 3.52 -7.23 -0.94 -0.65 120.40 115.35 3gnq s VAL 236 Ca 0.40 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 3gnq s VAL 236 Cb -0.22 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.23 3gnq s VAL 236 CO 0.25 -0.32 2.12 -2.65 -0.31 0.00 0.00 175.10 174.19 3gnq n PRO 237 N -0.55 2.14 -4.14 4.82 -0.02 -1.25 -3.46 135.00 132.54 3gnq n PRO 237 Ca -0.06 -2.02 -0.16 0.00 -2.02 0.00 0.00 63.50 59.25 3gnq n PRO 237 Cb 0.63 -2.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.06 3gnq n PRO 237 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gnq s THR 238 N 4.02 0.74 0.12 3.45 -4.23 -1.26 -5.03 115.64 113.46 3gnq s THR 238 Ca 0.52 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3gnq s THR 238 Cb 0.14 -0.75 -0.21 0.00 1.34 0.00 0.00 72.50 73.02 3gnq s THR 238 CO 0.02 -0.24 1.26 -0.29 -0.54 0.00 0.00 174.62 174.84 3gnq h ILE 239 N 4.50 1.49 -3.25 2.99 2.10 -1.88 -1.33 117.51 122.13 3gnq h ILE 239 Ca -0.36 -2.79 -0.07 0.00 1.08 0.00 0.00 64.86 62.71 3gnq h ILE 239 Cb 1.20 2.65 -0.15 0.00 -1.09 0.00 0.00 36.82 39.43 3gnq h ILE 239 CO 0.42 0.82 -0.15 0.21 -1.08 0.00 0.00 178.15 178.36 3gnq s ASN 240 N -7.04 -0.20 0.00 2.19 2.47 -1.26 -4.61 114.94 106.49 3gnq s ASN 240 Ca -0.04 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.06 3gnq s ASN 240 Cb 0.09 0.41 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 3gnq s ASN 240 CO 0.86 -0.71 0.00 0.52 -3.72 0.00 0.00 177.10 174.05 3gnq n VAL 241 N 0.28 -0.64 -4.19 -5.21 0.31 -1.26 -4.81 118.33 102.81 3gnq n VAL 241 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 3gnq n VAL 241 Cb 0.61 -0.55 -0.10 0.00 -0.91 0.00 0.00 33.84 32.89 3gnq n VAL 241 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3gnq s SER 242 N -0.73 0.49 -0.02 4.52 0.01 0.05 -3.58 113.70 114.43 3gnq s SER 242 Ca 0.00 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.01 3gnq s SER 242 Cb 0.00 0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.52 3gnq s SER 242 CO 0.00 -0.73 -0.02 -0.51 0.41 0.00 0.00 173.24 172.39 3gnq s ILE 243 N -3.99 0.29 -0.16 1.44 2.07 -0.05 -1.17 121.20 119.64 3gnq s ILE 243 Ca 0.29 -0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.34 3gnq s ILE 243 Cb 0.07 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.30 3gnq s ILE 243 CO 0.06 0.13 0.30 -0.69 -1.91 0.00 0.00 174.94 172.83 3gnq s VAL 244 N 0.55 5.30 -0.26 4.00 1.01 -0.70 -0.11 120.40 130.19 3gnq s VAL 244 Ca -0.06 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3gnq s VAL 244 Cb -0.09 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3gnq s VAL 244 CO -0.01 0.38 -0.09 -0.62 0.00 0.00 0.00 175.10 174.76 3gnq s ASP 245 N 0.50 4.39 -0.17 3.32 -1.08 0.53 -1.98 116.67 122.18 3gnq s ASP 245 Ca 0.17 -1.24 -0.01 0.00 -0.52 0.00 0.00 52.55 50.94 3gnq s ASP 245 Cb -0.13 -1.59 -0.01 0.00 -1.46 0.00 0.00 42.92 39.74 3gnq s ASP 245 CO 0.04 -0.18 -0.11 -0.22 0.52 0.00 0.00 175.17 175.22 3gnq s LEU 246 N 1.17 2.66 -0.11 -1.34 2.96 0.31 -1.54 118.68 122.79 3gnq s LEU 246 Ca -0.06 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3gnq s LEU 246 Cb -0.19 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3gnq s LEU 246 CO -0.05 0.06 0.09 -0.44 -1.32 0.00 0.00 176.35 174.69 3gnq s SER 247 N 0.95 5.95 -0.10 3.68 0.01 -0.00 -1.18 113.70 123.01 3gnq s SER 247 Ca -0.02 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.32 3gnq s SER 247 Cb -0.15 -1.84 0.06 0.00 0.21 0.00 0.00 66.02 64.30 3gnq s SER 247 CO -0.01 0.40 0.62 0.72 0.41 0.00 0.00 173.24 175.38 3gnq s PHE 248 N -0.97 -0.61 -0.38 2.43 -0.12 0.76 -0.43 117.98 118.66 3gnq s PHE 248 Ca 0.14 1.18 -0.28 0.00 -0.05 0.00 0.00 56.93 57.92 3gnq s PHE 248 Cb -0.12 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.61 3gnq s PHE 248 CO 0.03 -0.50 1.05 0.42 -0.05 0.00 0.00 175.22 176.18 3gnq s ILE 249 N -0.77 4.43 0.40 -4.49 1.01 -0.78 -1.05 121.20 119.94 3gnq s ILE 249 Ca -0.08 1.42 -0.23 0.00 0.00 0.00 0.00 60.65 61.75 3gnq s ILE 249 Cb -0.02 -4.46 -0.10 0.00 0.01 0.00 0.00 42.46 37.90 3gnq s ILE 249 CO 0.07 -0.67 1.00 0.00 0.00 0.00 0.00 174.94 175.34 3gnq s ALA 250 N 3.86 3.08 -1.27 9.38 0.00 0.17 -1.35 121.76 135.63 3gnq s ALA 250 Ca 0.44 0.58 0.29 0.00 0.00 0.00 0.00 51.96 53.27 3gnq s ALA 250 Cb -0.10 -3.22 1.23 0.00 0.00 0.00 0.00 23.12 21.03 3gnq s ALA 250 CO 0.22 -0.06 1.89 1.63 0.00 0.00 0.00 175.76 179.44 3gnq n LYS 251 N -0.13 0.28 -4.07 0.00 5.02 -0.68 -4.82 118.16 113.77 3gnq n LYS 251 Ca 0.05 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 3gnq n LYS 251 Cb 0.51 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 3gnq n LYS 251 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3gnq s ARG 252 N -2.75 1.48 0.29 1.97 1.70 -1.26 -5.06 118.95 115.31 3gnq s ARG 252 Ca 0.21 -1.41 -0.30 0.00 -0.47 0.00 0.00 55.73 53.77 3gnq s ARG 252 Cb 0.19 0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 34.87 3gnq s ARG 252 CO 0.52 -0.58 1.57 -0.51 -1.08 0.00 0.00 175.30 175.21 3gnq s ASP 253 N -3.08 6.41 0.25 -2.89 1.01 -1.26 -4.92 116.67 112.20 3gnq s ASP 253 Ca 0.28 2.92 -0.08 0.00 0.71 0.00 0.00 52.55 56.38 3gnq s ASP 253 Cb 0.02 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3gnq s ASP 253 CO 0.11 -0.88 0.40 0.28 0.21 0.00 0.00 175.17 175.28 3gnq s THR 254 N -0.08 0.00 0.08 -1.27 -1.32 -1.26 -5.15 115.64 106.64 3gnq s THR 254 Ca 0.62 -1.58 0.06 0.00 -1.21 0.00 0.00 61.69 59.58 3gnq s THR 254 Cb -0.47 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 3gnq s THR 254 CO 0.48 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 173.17 3gnq s THR 255 N -3.88 1.21 0.28 5.08 -4.23 -1.26 -4.96 115.64 107.88 3gnq s THR 255 Ca 0.28 -1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3gnq s THR 255 Cb 0.01 -1.22 0.40 0.00 1.34 0.00 0.00 72.50 73.04 3gnq s THR 255 CO 0.12 -0.26 1.45 0.00 -0.54 0.00 0.00 174.62 175.39 3gnq n ALA 256 N 1.09 0.39 0.22 3.99 0.00 -1.26 -0.50 120.51 124.44 3gnq n ALA 256 Ca -0.20 1.00 0.09 0.00 0.00 0.00 0.00 53.44 54.33 3gnq n ALA 256 Cb 0.55 -0.69 0.46 0.00 0.00 0.00 0.00 19.45 19.77 3gnq n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gnq h ALA 257 N 1.85 1.05 0.02 0.00 0.00 -1.97 -1.45 119.26 118.76 3gnq h ALA 257 Ca 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3gnq h ALA 257 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gnq h ALA 257 CO -0.90 0.32 -0.15 1.49 0.00 0.00 0.00 179.25 180.01 3gnq h GLU 258 N 0.00 0.05 -0.70 0.00 4.81 -1.20 -1.83 114.58 115.70 3gnq h GLU 258 Ca -0.00 -0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3gnq h GLU 258 Cb 0.74 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.01 3gnq h GLU 258 CO 0.03 1.04 -0.22 0.28 -0.73 0.00 0.00 179.01 179.42 3gnq h VAL 259 N -0.90 0.25 -0.61 0.32 2.07 -0.87 0.22 116.25 116.74 3gnq h VAL 259 Ca -0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3gnq h VAL 259 Cb 1.11 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3gnq h VAL 259 CO 0.02 0.00 0.13 0.78 0.02 0.00 0.00 177.57 178.52 3gnq h ASN 260 N -0.03 0.94 -0.41 0.57 2.35 -1.34 -2.57 115.58 115.08 3gnq h ASN 260 Ca 0.33 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3gnq h ASN 260 Cb 0.54 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3gnq h ASN 260 CO -0.74 0.94 0.05 0.00 -1.65 0.00 0.00 177.43 176.03 3gnq h ALA 261 N 1.03 1.18 -0.52 -0.83 0.00 -0.42 -0.29 119.26 119.41 3gnq h ALA 261 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3gnq h ALA 261 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gnq h ALA 261 CO 0.01 0.54 0.21 0.82 0.00 0.00 0.00 179.25 180.83 3gnq h ILE 262 N 0.73 1.22 -0.33 0.00 2.04 -0.85 -1.31 117.51 119.02 3gnq h ILE 262 Ca 0.15 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 65.19 3gnq h ILE 262 Cb 0.38 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3gnq h ILE 262 CO 0.01 0.25 -0.42 0.24 0.00 0.00 0.00 178.15 178.23 3gnq h MET 263 N 0.70 0.86 -0.54 2.37 2.86 -1.21 -1.94 114.93 118.04 3gnq h MET 263 Ca 0.17 -0.49 0.03 0.00 -2.06 0.00 0.00 59.70 57.36 3gnq h MET 263 Cb 0.19 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3gnq h MET 263 CO -0.01 1.13 0.31 -0.22 1.06 0.00 0.00 176.91 179.17 3gnq h LYS 264 N 0.65 0.58 -0.41 1.72 3.64 -0.96 -0.81 116.57 120.98 3gnq h LYS 264 Ca 0.04 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3gnq h LYS 264 Cb 1.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3gnq h LYS 264 CO 0.10 0.39 0.25 1.49 -2.27 0.00 0.00 179.45 179.40 3gnq h GLU 265 N 0.60 0.48 -0.13 1.90 4.81 -1.14 -2.06 114.58 119.04 3gnq h GLU 265 Ca 0.23 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3gnq h GLU 265 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3gnq h GLU 265 CO -0.12 0.32 -0.16 0.00 -0.73 0.00 0.00 179.01 178.32 3gnq h ALA 266 N 1.18 1.49 0.00 2.92 0.00 -0.87 -0.84 119.26 123.14 3gnq h ALA 266 Ca 0.16 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3gnq h ALA 266 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gnq h ALA 266 CO -0.07 0.37 -0.74 0.66 0.00 0.00 0.00 179.25 179.46 3gnq h SER 267 N 0.20 0.00 1.30 0.00 4.64 -0.73 -2.69 113.55 116.28 3gnq h SER 267 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gnq h SER 267 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3gnq h SER 267 CO 0.03 0.74 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.16 3gnq h GLU 268 N 0.00 0.00 0.00 4.77 5.08 -1.13 -3.33 114.58 119.98 3gnq h GLU 268 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gnq h GLU 268 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 3gnq h GLU 268 CO 0.10 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 3gnq n GLY 269 N 1.30 0.73 0.33 -3.84 0.00 -0.34 -4.78 105.19 98.58 3gnq n GLY 269 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 3gnq n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnq h ALA 270 N -1.14 1.41 -0.36 4.61 0.00 -1.82 -2.84 119.26 119.12 3gnq h ALA 270 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gnq h ALA 270 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gnq h ALA 270 CO 0.00 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.02 3gnq n LEU 271 N -4.38 3.74 -4.75 0.00 4.77 -1.05 -4.97 117.00 110.35 3gnq n LEU 271 Ca 0.07 -1.90 -0.41 0.00 -0.03 0.00 0.00 56.01 53.74 3gnq n LEU 271 Cb 0.09 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 3gnq n LEU 271 CO 0.37 0.50 1.07 -1.59 -1.33 0.00 0.00 177.39 176.40 3gnq s LYS 272 N -2.00 4.29 -0.30 3.23 -2.85 -1.07 -1.18 119.74 119.85 3gnq s LYS 272 Ca 0.33 2.28 -0.00 0.00 -1.00 0.00 0.00 55.97 57.58 3gnq s LYS 272 Cb 0.24 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 3gnq s LYS 272 CO 0.11 -0.35 0.01 0.41 0.10 0.00 0.00 175.35 175.63 3gnq n GLY 273 N 1.76 0.25 1.87 0.59 0.00 -1.26 -4.76 105.19 103.63 3gnq n GLY 273 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3gnq n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gnq n ILE 274 N -3.95 0.00 -3.69 -0.61 -0.00 -1.02 -4.85 119.36 105.24 3gnq n ILE 274 Ca -0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.33 3gnq n ILE 274 Cb 0.53 -0.14 -0.12 0.00 -0.00 0.00 0.00 39.64 39.91 3gnq n ILE 274 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 3gnq s LEU 275 N -4.87 4.16 0.53 1.39 2.96 -0.33 -0.92 118.68 121.61 3gnq s LEU 275 Ca 0.00 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.17 3gnq s LEU 275 Cb 0.00 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.78 3gnq s LEU 275 CO 0.00 -0.25 0.74 -0.83 -1.32 0.00 0.00 176.35 174.69 3gnq s GLY 276 N 1.53 1.85 -0.06 7.98 0.00 0.11 -4.51 107.32 114.22 3gnq s GLY 276 Ca 0.03 -1.42 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 3gnq s GLY 276 CO 0.04 -1.14 -0.01 -0.47 0.00 0.00 0.00 173.10 171.52 3gnq s TYR 277 N -2.69 0.65 -0.11 1.90 5.04 -1.26 -1.34 117.35 119.53 3gnq s TYR 277 Ca 0.57 -0.16 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 3gnq s TYR 277 Cb -0.10 -0.73 -0.01 0.00 0.35 0.00 0.00 41.96 41.47 3gnq s TYR 277 CO 0.38 -0.27 -0.17 1.21 -1.34 0.00 0.00 175.55 175.36 3gnq s ASN 278 N 1.61 3.72 -0.00 4.32 2.47 0.83 -4.94 114.94 122.95 3gnq s ASN 278 Ca -0.01 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 52.90 3gnq s ASN 278 Cb -0.13 -1.42 -0.01 0.00 -1.45 0.00 0.00 41.25 38.24 3gnq s ASN 278 CO -0.04 0.19 0.04 1.21 -3.72 0.00 0.00 177.10 174.79 3gnq n GLU 279 N 3.35 5.59 -1.84 0.43 2.13 -1.26 -1.55 120.64 127.49 3gnq n GLU 279 Ca -0.18 -0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.32 3gnq n GLU 279 Cb 0.53 -0.63 0.02 0.00 0.27 0.00 0.00 31.44 31.63 3gnq n GLU 279 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gnq s ALA 280 N -1.26 2.86 -1.27 4.31 0.00 -1.26 -4.80 121.76 120.34 3gnq s ALA 280 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 3gnq s ALA 280 Cb 0.01 -3.15 0.13 0.00 0.00 0.00 0.00 23.12 20.11 3gnq s ALA 280 CO 0.04 -0.88 1.64 -0.35 0.00 0.00 0.00 175.76 176.21 3gnq n PRO 281 N -2.64 3.31 -3.99 0.00 -0.04 -1.26 -4.93 135.00 125.44 3gnq n PRO 281 Ca 0.07 -3.55 -0.23 0.00 -0.04 0.00 0.00 63.50 59.75 3gnq n PRO 281 Cb 0.54 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.75 3gnq n PRO 281 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gnq s LEU 282 N 2.25 3.23 0.29 1.53 1.43 -1.26 -5.14 118.68 121.02 3gnq s LEU 282 Ca 0.46 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3gnq s LEU 282 Cb 0.02 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 3gnq s LEU 282 CO 0.02 -0.49 0.03 0.68 0.23 0.00 0.00 176.35 176.83 3gnq s VAL 283 N -2.51 1.17 0.28 -1.59 -7.23 -1.26 -5.04 120.40 104.22 3gnq s VAL 283 Ca 0.42 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3gnq s VAL 283 Cb 0.00 -2.64 0.28 0.00 0.56 0.00 0.00 36.38 34.58 3gnq s VAL 283 CO 0.24 -0.11 1.67 0.77 -0.31 0.00 0.00 175.10 177.36 3gnq h SER 284 N 2.23 0.10 0.12 4.85 4.64 -1.98 -0.73 113.55 122.77 3gnq h SER 284 Ca -0.40 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3gnq h SER 284 Cb 1.24 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3gnq h SER 284 CO 0.68 -0.07 -0.03 -0.29 -0.87 0.00 0.00 176.83 176.24 3gnq h ILE 285 N 0.28 0.39 0.00 0.95 -0.00 -1.97 -1.13 117.51 116.04 3gnq h ILE 285 Ca 0.51 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 65.23 3gnq h ILE 285 Cb 0.97 1.10 0.00 0.00 -0.00 0.00 0.00 36.82 38.89 3gnq h ILE 285 CO -0.58 0.03 0.00 0.47 -0.00 0.00 0.00 178.15 178.07 3gnq n ASP 286 N -3.59 0.06 -0.94 2.19 10.43 -0.28 -2.25 116.55 122.16 3gnq n ASP 286 Ca -0.03 0.51 0.10 0.00 2.57 0.00 0.00 54.79 57.95 3gnq n ASP 286 Cb 0.12 -0.52 0.16 0.00 1.84 0.00 0.00 41.12 42.72 3gnq n ASP 286 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3gnq n PHE 287 N -1.56 0.33 -2.00 1.24 3.72 -0.43 -4.90 117.46 113.86 3gnq n PHE 287 Ca 0.04 -0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 3gnq n PHE 287 Cb 0.22 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 3gnq n PHE 287 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gnq s ASN 288 N -1.42 6.65 -0.07 4.37 2.47 -0.96 -2.18 114.94 123.82 3gnq s ASN 288 Ca 0.31 2.51 0.00 0.00 0.42 0.00 0.00 52.86 56.10 3gnq s ASN 288 Cb 0.19 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 3gnq s ASN 288 CO 0.27 -0.79 0.00 1.57 -3.72 0.00 0.00 177.10 174.42 3gnq n HIS 289 N 4.29 0.00 -2.71 0.43 -0.00 -1.26 -5.01 115.22 110.97 3gnq n HIS 289 Ca 0.14 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.89 3gnq n HIS 289 Cb 0.40 -0.63 -0.02 0.00 -0.12 0.00 0.00 29.99 29.61 3gnq n HIS 289 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3gnq s ASN 290 N -2.10 7.02 0.00 0.26 3.84 -0.92 -4.95 114.94 118.08 3gnq s ASN 290 Ca 0.00 1.25 0.23 0.00 0.21 0.00 0.00 52.86 54.55 3gnq s ASN 290 Cb 0.00 -2.52 1.38 0.00 -0.55 0.00 0.00 41.25 39.56 3gnq s ASN 290 CO 0.00 -0.67 1.75 -0.81 -2.79 0.00 0.00 177.10 174.58 3gnq n PRO 291 N 6.34 0.72 -2.18 0.43 -0.04 -1.26 -4.07 135.00 134.94 3gnq n PRO 291 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.23 3gnq n PRO 291 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3gnq n PRO 291 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gnq s ALA 292 N -2.00 2.74 0.25 0.55 0.00 -1.26 -4.44 121.76 117.59 3gnq s ALA 292 Ca 0.35 0.53 0.09 0.00 0.00 0.00 0.00 51.96 52.92 3gnq s ALA 292 Cb 0.16 -3.26 0.27 0.00 0.00 0.00 0.00 23.12 20.29 3gnq s ALA 292 CO 0.27 -0.72 1.56 0.77 0.00 0.00 0.00 175.76 177.64 3gnq h SER 293 N 0.80 0.03 -3.47 0.00 0.02 -1.32 -3.38 113.55 106.22 3gnq h SER 293 Ca -0.48 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.39 3gnq h SER 293 Cb 1.23 -0.01 -0.23 0.00 0.14 0.00 0.00 62.40 63.53 3gnq h SER 293 CO 0.57 0.69 -0.11 -0.55 -1.14 0.00 0.00 176.83 176.30 3gnq s SER 294 N -6.84 -0.67 -0.28 3.07 0.15 -0.69 -3.54 113.70 104.91 3gnq s SER 294 Ca -0.01 1.17 -0.00 0.00 0.70 0.00 0.00 55.95 57.80 3gnq s SER 294 Cb 0.12 1.10 0.09 0.00 -1.71 0.00 0.00 66.02 65.62 3gnq s SER 294 CO 0.77 -0.21 0.06 -0.89 1.20 0.00 0.00 173.24 174.18 3gnq s THR 295 N 0.99 1.07 0.22 6.45 2.01 0.09 0.10 115.64 126.56 3gnq s THR 295 Ca -0.06 -1.33 -0.31 0.00 0.31 0.00 0.00 61.69 60.31 3gnq s THR 295 Cb -0.06 -1.69 -0.10 0.00 0.01 0.00 0.00 72.50 70.66 3gnq s THR 295 CO -0.09 -0.50 1.50 0.12 -0.69 0.00 0.00 174.62 174.96 3gnq s PHE 296 N 1.55 3.02 -0.48 4.92 5.36 -0.45 -0.68 117.98 131.22 3gnq s PHE 296 Ca 0.06 0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 56.78 3gnq s PHE 296 Cb -0.18 -3.88 0.12 0.00 -0.34 0.00 0.00 43.02 38.75 3gnq s PHE 296 CO -0.18 -3.03 0.35 0.34 -1.46 0.00 0.00 175.22 171.24 3gnq s ASP 297 N 0.70 5.69 0.59 6.13 -1.08 -0.05 -0.12 116.67 128.52 3gnq s ASP 297 Ca 0.64 -1.95 0.33 0.00 -0.52 0.00 0.00 52.55 51.05 3gnq s ASP 297 Cb -0.43 -2.00 1.83 0.00 -1.46 0.00 0.00 42.92 40.85 3gnq s ASP 297 CO 0.38 -0.68 2.21 0.00 0.52 0.00 0.00 175.17 177.60 3gnq h ALA 298 N 8.40 1.27 0.00 3.66 0.00 -1.58 -2.30 119.26 128.71 3gnq h ALA 298 Ca -0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3gnq h ALA 298 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gnq h ALA 298 CO 0.85 0.05 -0.13 1.79 0.00 0.00 0.00 179.25 181.81 3gnq h THR 299 N 0.00 0.45 -0.01 0.00 1.35 -1.87 -2.97 112.91 109.86 3gnq h THR 299 Ca -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3gnq h THR 299 Cb 0.15 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3gnq h THR 299 CO 0.01 0.13 -0.32 0.18 -0.25 0.00 0.00 175.52 175.27 3gnq n LEU 300 N -3.45 1.76 -4.73 3.87 4.77 -0.86 -4.97 117.00 113.38 3gnq n LEU 300 Ca -0.01 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 3gnq n LEU 300 Cb 0.30 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3gnq n LEU 300 CO 0.30 0.32 1.17 -0.89 -1.33 0.00 0.00 177.39 176.96 3gnq s THR 301 N -2.40 2.59 -0.02 -5.08 2.01 -1.12 -4.79 115.64 106.82 3gnq s THR 301 Ca 0.23 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.73 3gnq s THR 301 Cb 0.19 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 3gnq s THR 301 CO 0.51 0.06 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.83 3gnq s LYS 302 N 0.27 1.11 -0.07 4.92 3.01 -0.39 -4.99 119.74 123.60 3gnq s LYS 302 Ca 0.64 -0.44 -0.01 0.00 -1.01 0.00 0.00 55.97 55.15 3gnq s LYS 302 Cb -0.43 -1.05 0.03 0.00 -1.01 0.00 0.00 37.83 35.37 3gnq s LYS 302 CO 0.38 0.24 0.01 0.08 0.51 0.00 0.00 175.35 176.57 3gnq s VAL 303 N -0.15 0.31 -0.41 3.17 1.01 -1.26 -0.48 120.40 122.59 3gnq s VAL 303 Ca 0.02 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3gnq s VAL 303 Cb -0.06 -0.48 0.12 0.00 0.00 0.00 0.00 36.38 35.95 3gnq s VAL 303 CO 0.00 0.25 0.18 -0.55 0.00 0.00 0.00 175.10 174.98 3gnq s SER 304 N 1.99 4.08 1.40 3.32 0.15 -0.25 -4.91 113.70 119.48 3gnq s SER 304 Ca 0.05 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.28 3gnq s SER 304 Cb -0.12 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 3gnq s SER 304 CO -0.05 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3gnq n GLY 305 N 3.85 2.61 0.10 9.45 0.00 -1.26 -2.40 105.19 117.53 3gnq n GLY 305 Ca 0.05 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3gnq n GLY 305 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gnq n ARG 306 N 8.72 0.30 -2.90 1.61 5.12 -1.26 -4.59 116.66 123.67 3gnq n ARG 306 Ca 0.00 -0.19 -0.41 0.00 -1.93 0.00 0.00 57.85 55.32 3gnq n ARG 306 Cb 0.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 3gnq n ARG 306 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3gnq s LEU 307 N -2.83 4.30 -0.06 0.55 2.96 -1.01 -0.66 118.68 121.94 3gnq s LEU 307 Ca 0.15 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.43 3gnq s LEU 307 Cb 0.18 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.60 3gnq s LEU 307 CO 0.66 -0.23 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.63 3gnq s VAL 308 N 1.16 1.29 -0.13 1.68 1.01 -0.21 -1.09 120.40 124.11 3gnq s VAL 308 Ca 0.42 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3gnq s VAL 308 Cb -0.19 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3gnq s VAL 308 CO 0.20 0.39 -0.22 -0.75 0.00 0.00 0.00 175.10 174.72 3gnq s LYS 309 N 0.42 2.93 0.07 2.72 2.20 0.37 -0.17 119.74 128.29 3gnq s LYS 309 Ca -0.11 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.68 3gnq s LYS 309 Cb -0.14 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 3gnq s LYS 309 CO 0.04 0.02 -0.06 0.14 -0.36 0.00 0.00 175.35 175.12 3gnq s VAL 310 N 0.73 0.58 -0.02 4.02 -7.23 -0.32 -1.26 120.40 116.90 3gnq s VAL 310 Ca -0.10 -1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 3gnq s VAL 310 Cb -0.16 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.49 3gnq s VAL 310 CO 0.00 -0.73 0.19 -0.44 -0.31 0.00 0.00 175.10 173.82 3gnq s SER 311 N -2.54 -0.07 -0.06 4.85 0.01 -1.26 -0.53 113.70 114.09 3gnq s SER 311 Ca 0.04 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.23 3gnq s SER 311 Cb 0.01 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.53 3gnq s SER 311 CO -0.04 -0.34 0.15 -0.55 0.41 0.00 0.00 173.24 172.88 3gnq s SER 312 N -1.12 -0.14 0.12 2.44 0.15 -0.84 -0.88 113.70 113.44 3gnq s SER 312 Ca -0.12 0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.72 3gnq s SER 312 Cb -0.06 0.26 -0.07 0.00 -1.71 0.00 0.00 66.02 64.45 3gnq s SER 312 CO 0.02 -0.10 0.50 0.26 1.20 0.00 0.00 173.24 175.13 3gnq s TRP 313 N 0.58 3.60 -0.11 3.44 0.52 0.14 -1.72 118.94 125.39 3gnq s TRP 313 Ca -0.04 0.97 -0.06 0.00 0.02 0.00 0.00 56.10 57.00 3gnq s TRP 313 Cb -0.06 -2.30 0.05 0.00 -1.15 0.00 0.00 33.47 30.01 3gnq s TRP 313 CO -0.03 0.46 0.27 1.52 0.02 0.00 0.00 176.95 179.19 3gnq s TYR 314 N -1.44 -0.37 -0.51 -1.98 -0.00 -0.31 -0.73 117.35 112.01 3gnq s TYR 314 Ca 0.36 0.86 -0.28 0.00 -0.00 0.00 0.00 57.07 58.01 3gnq s TYR 314 Cb -0.15 0.07 -0.00 0.00 -0.00 0.00 0.00 41.96 41.89 3gnq s TYR 314 CO 0.19 -0.25 1.58 0.34 -0.00 0.00 0.00 175.55 177.41 3gnq s ASP 315 N 1.32 5.92 0.55 -0.18 3.68 -1.26 -0.77 116.67 125.92 3gnq s ASP 315 Ca -0.09 0.54 0.29 0.00 2.13 0.00 0.00 52.55 55.42 3gnq s ASP 315 Cb -0.10 -2.54 1.60 0.00 -1.45 0.00 0.00 42.92 40.43 3gnq s ASP 315 CO -0.09 -1.83 2.13 -0.55 0.13 0.00 0.00 175.17 174.96 3gnq h ASN 316 N 12.21 0.00 0.00 -0.34 -1.07 -1.92 -1.77 115.58 122.70 3gnq h ASN 316 Ca -0.28 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.95 3gnq h ASN 316 Cb 1.12 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.35 3gnq h ASN 316 CO 1.15 0.08 -0.87 -0.33 0.07 0.00 0.00 177.43 177.53 3gnq h GLU 317 N 0.00 0.00 0.00 4.14 5.08 -1.94 -3.39 114.58 118.48 3gnq h GLU 317 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3gnq h GLU 317 Cb 0.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.51 3gnq h GLU 317 CO 0.01 0.73 -0.73 2.35 -1.00 0.00 0.00 179.01 180.37 3gnq h TRP 318 N -1.00 0.72 0.29 4.33 2.91 -1.86 -1.44 115.95 119.90 3gnq h TRP 318 Ca -0.21 -0.40 -0.01 0.00 1.13 0.00 0.00 58.89 59.40 3gnq h TRP 318 Cb 1.02 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 3gnq h TRP 318 CO 0.05 1.22 -0.14 0.78 -1.03 0.00 0.00 178.44 179.32 3gnq h GLY 319 N 0.02 -0.41 0.99 2.65 0.00 -1.46 -1.03 103.07 103.83 3gnq h GLY 319 Ca -0.09 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.40 3gnq h GLY 319 CO 0.14 -0.15 0.49 -2.75 0.00 0.00 0.00 176.54 174.27 3gnq h PHE 320 N -0.54 0.93 -0.76 5.60 3.57 -1.71 -0.73 116.94 123.29 3gnq h PHE 320 Ca -0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3gnq h PHE 320 Cb 0.40 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3gnq h PHE 320 CO -0.02 0.58 0.36 0.77 -2.23 0.00 0.00 178.31 177.77 3gnq h SER 321 N 0.99 0.99 -0.08 0.41 0.02 -1.15 -0.54 113.55 114.19 3gnq h SER 321 Ca 0.28 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3gnq h SER 321 Cb -0.10 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 3gnq h SER 321 CO -0.07 0.84 -0.21 0.78 -1.14 0.00 0.00 176.83 177.03 3gnq h ASN 322 N 1.08 0.49 0.20 3.07 2.35 -0.45 -2.95 115.58 119.37 3gnq h ASN 322 Ca 0.26 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3gnq h ASN 322 Cb 0.12 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3gnq h ASN 322 CO -0.03 0.71 -0.40 0.03 -1.65 0.00 0.00 177.43 176.09 3gnq h ARG 323 N 0.44 0.27 -0.78 0.81 2.47 -0.35 -2.93 114.38 114.30 3gnq h ARG 323 Ca 0.07 -0.12 0.06 0.00 -1.26 0.00 0.00 59.98 58.73 3gnq h ARG 323 Cb 0.62 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.88 3gnq h ARG 323 CO 0.04 0.63 0.51 0.52 0.56 0.00 0.00 179.97 182.24 3gnq h MET 324 N 0.23 0.83 -0.16 0.04 2.86 -0.95 0.98 114.93 118.77 3gnq h MET 324 Ca 0.02 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3gnq h MET 324 Cb 0.80 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3gnq h MET 324 CO 0.06 0.55 -0.25 -0.07 1.06 0.00 0.00 176.91 178.27 3gnq h LEU 325 N 0.86 0.48 -0.24 1.22 3.38 -1.52 -1.97 115.31 117.52 3gnq h LEU 325 Ca 0.34 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3gnq h LEU 325 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3gnq h LEU 325 CO -0.12 0.92 0.04 0.44 0.09 0.00 0.00 178.44 179.82 3gnq h ASP 326 N 0.06 0.00 0.12 -0.43 3.32 -1.31 -2.75 116.42 115.43 3gnq h ASP 326 Ca 0.01 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 3gnq h ASP 326 Cb 0.82 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3gnq h ASP 326 CO 0.06 0.03 -0.43 0.74 -1.72 0.00 0.00 179.24 177.92 3gnq h THR 327 N 0.13 1.31 -0.50 0.35 2.02 -0.82 -2.40 112.91 113.01 3gnq h THR 327 Ca 0.11 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.67 3gnq h THR 327 Cb 0.11 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3gnq h THR 327 CO -0.15 0.49 0.21 0.00 0.37 0.00 0.00 175.52 176.44 3gnq h ALA 328 N 1.22 0.65 -0.33 6.16 0.00 -1.22 0.11 119.26 125.86 3gnq h ALA 328 Ca 0.03 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3gnq h ALA 328 Cb 0.89 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3gnq h ALA 328 CO 0.07 0.25 0.12 0.82 0.00 0.00 0.00 179.25 180.52 3gnq h ILE 329 N 0.67 0.92 -0.16 0.00 1.08 -1.20 -0.49 117.51 118.34 3gnq h ILE 329 Ca 0.17 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.46 3gnq h ILE 329 Cb 0.17 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3gnq h ILE 329 CO -0.02 0.05 -0.28 0.00 -0.69 0.00 0.00 178.15 177.21 3gnq h ALA 330 N 1.20 1.23 -0.40 1.87 0.00 -1.03 -2.28 119.26 119.85 3gnq h ALA 330 Ca 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3gnq h ALA 330 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gnq h ALA 330 CO -0.14 0.51 -0.08 1.25 0.00 0.00 0.00 179.25 180.79 3gnq h LEU 331 N 0.26 0.77 -0.74 0.00 5.85 -0.34 -2.71 115.31 118.40 3gnq h LEU 331 Ca 0.04 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 3gnq h LEU 331 Cb 0.64 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3gnq h LEU 331 CO 0.05 0.94 -0.15 0.00 -0.34 0.00 0.00 178.44 178.94 3gnq h ALA 332 N 0.85 0.93 -0.72 1.25 0.00 -0.82 -3.24 119.26 117.51 3gnq h ALA 332 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gnq h ALA 332 Cb 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gnq h ALA 332 CO 0.04 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.00 3gnq n ASN 333 N -4.14 4.03 -4.75 0.00 3.02 -0.88 -5.01 115.26 107.53 3gnq n ASN 333 Ca 0.01 -2.05 -0.41 0.00 -0.03 0.00 0.00 54.58 52.10 3gnq n ASN 333 Cb 0.39 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3gnq n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gnq s ALA 334 N -1.10 3.51 0.00 5.41 0.00 -1.02 -5.00 121.76 123.56 3gnq s ALA 334 Ca 0.49 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3gnq s ALA 334 Cb 0.26 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3gnq s ALA 334 CO 0.32 -0.52 0.00 1.63 0.00 0.00 0.00 175.76 177.19