#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 2.22 -0.22 12.58 1.09 -1.09 -5.01 121.20 130.76 3gnq s ILE 2 Ca 0.00 -1.07 -0.08 0.00 -1.10 0.00 0.00 60.65 58.40 3gnq s ILE 2 Cb 0.00 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.57 3gnq s ILE 2 CO 0.00 0.56 0.09 -0.13 -0.10 0.00 0.00 174.94 175.36 3gnq s ARG 3 N -0.69 3.86 -0.03 2.79 0.52 -1.26 -1.46 118.95 122.69 3gnq s ARG 3 Ca 0.10 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 3gnq s ARG 3 Cb -0.10 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 3gnq s ARG 3 CO -0.00 0.02 -0.22 0.08 0.02 0.00 0.00 175.30 175.20 3gnq s VAL 4 N 1.08 2.43 -0.05 3.52 1.01 0.15 0.50 120.40 129.04 3gnq s VAL 4 Ca 0.05 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.11 3gnq s VAL 4 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3gnq s VAL 4 CO 0.04 0.58 -0.23 0.00 0.00 0.00 0.00 175.10 175.48 3gnq s ALA 5 N -0.66 2.26 -0.32 5.51 0.00 -0.74 -1.17 121.76 126.64 3gnq s ALA 5 Ca 0.11 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 3gnq s ALA 5 Cb -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3gnq s ALA 5 CO -0.00 0.46 0.22 0.42 0.00 0.00 0.00 175.76 176.86 3gnq s ILE 6 N -0.33 5.29 -0.41 0.00 1.01 -0.16 -0.66 121.20 125.94 3gnq s ILE 6 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 3gnq s ILE 6 Cb -0.12 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.74 3gnq s ILE 6 CO 0.02 0.09 0.29 0.21 0.00 0.00 0.00 174.94 175.56 3gnq s ASN 7 N 1.74 6.00 0.00 3.58 2.47 0.19 -1.32 114.94 127.60 3gnq s ASN 7 Ca 0.07 -1.04 0.00 0.00 0.42 0.00 0.00 52.86 52.31 3gnq s ASN 7 Cb -0.17 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3gnq s ASN 7 CO 0.11 -0.48 0.00 0.61 -3.72 0.00 0.00 177.10 173.62 3gnq n GLY 8 N 5.12 -0.35 2.77 1.21 0.00 0.52 0.17 105.19 114.63 3gnq n GLY 8 Ca -0.11 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 0.01 2.83 -1.19 1.61 -0.00 -1.23 -3.68 117.16 115.50 3gnq n TYR 9 Ca 0.00 -2.42 0.00 0.00 -0.00 0.00 0.00 57.90 55.48 3gnq n TYR 9 Cb 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 39.34 38.12 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 -0.22 3.01 0.31 2.98 0.00 -1.26 -4.27 105.19 105.75 3gnq n GLY 10 Ca 0.51 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.10 0.19 1.61 2.47 -1.92 0.15 114.38 116.77 3gnq h ARG 11 Ca 0.00 0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 3gnq h ARG 11 Cb 0.00 0.02 0.03 0.00 -1.65 0.00 0.00 29.97 28.38 3gnq h ARG 11 CO 0.00 -0.07 -1.34 0.82 0.56 0.00 0.00 179.97 179.94 3gnq h ILE 12 N -0.10 1.29 0.43 2.04 1.08 -1.88 -3.00 117.51 117.37 3gnq h ILE 12 Ca 0.27 -2.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.16 3gnq h ILE 12 Cb 0.54 2.89 -0.03 0.00 -3.07 0.00 0.00 36.82 37.15 3gnq h ILE 12 CO -0.69 0.78 -0.51 1.23 -0.69 0.00 0.00 178.15 178.26 3gnq h GLY 13 N 0.19 -1.23 0.92 5.37 0.00 -1.45 0.10 103.07 106.97 3gnq h GLY 13 Ca -0.22 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 3gnq h GLY 13 CO 0.26 -0.35 0.11 3.21 0.00 0.00 0.00 176.54 179.76 3gnq h ARG 14 N -0.96 0.56 0.00 4.80 3.08 -0.89 -2.10 114.38 118.87 3gnq h ARG 14 Ca -0.05 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3gnq h ARG 14 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3gnq h ARG 14 CO -0.11 0.59 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.30 3gnq h ASN 15 N 0.43 0.00 -0.46 7.04 2.35 -1.51 0.89 115.58 124.32 3gnq h ASN 15 Ca 0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3gnq h ASN 15 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3gnq h ASN 15 CO -0.00 0.17 -0.02 0.74 -1.65 0.00 0.00 177.43 176.67 3gnq h THR 16 N 0.00 1.26 -0.06 2.81 2.02 -0.49 0.23 112.91 118.69 3gnq h THR 16 Ca -0.00 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 3gnq h THR 16 Cb 0.38 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3gnq h THR 16 CO 0.02 0.37 0.02 0.25 0.37 0.00 0.00 175.52 176.56 3gnq h LEU 17 N 0.66 0.09 -0.03 2.58 6.46 -0.32 -1.47 115.31 123.28 3gnq h LEU 17 Ca 0.13 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 3gnq h LEU 17 Cb 0.53 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3gnq h LEU 17 CO 0.03 0.23 -0.05 0.03 -0.62 0.00 0.00 178.44 178.06 3gnq h ARG 18 N -0.06 -0.07 -0.70 1.25 3.08 0.77 -1.98 114.38 116.66 3gnq h ARG 18 Ca 0.02 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.22 3gnq h ARG 18 Cb 0.17 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.11 3gnq h ARG 18 CO -0.00 -0.04 -0.09 0.00 -1.07 0.00 0.00 179.97 178.77 3gnq h ALA 19 N 0.95 0.59 -0.74 0.04 0.00 -0.50 0.60 119.26 120.21 3gnq h ALA 19 Ca 0.03 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3gnq h ALA 19 Cb 0.11 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3gnq h ALA 19 CO -0.07 -0.42 0.49 0.35 0.00 0.00 0.00 179.25 179.60 3gnq h PHE 20 N 0.05 0.93 0.21 0.00 3.57 -0.54 -2.24 116.94 118.92 3gnq h PHE 20 Ca 0.36 0.02 -0.32 0.00 3.53 0.00 0.00 57.97 61.56 3gnq h PHE 20 Cb 0.59 -0.31 0.02 0.00 2.79 0.00 0.00 35.95 39.04 3gnq h PHE 20 CO -0.49 0.59 -1.47 1.88 -2.23 0.00 0.00 178.31 176.59 3gnq h TYR 21 N 1.00 0.81 0.00 0.41 -1.99 -0.85 -2.71 116.97 113.64 3gnq h TYR 21 Ca 0.27 -0.59 0.00 0.00 2.00 0.00 0.00 58.73 60.41 3gnq h TYR 21 Cb -0.11 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.58 3gnq h TYR 21 CO 0.00 1.50 0.00 0.93 -0.00 0.00 0.00 178.16 180.59 3gnq h GLU 22 N 0.12 0.00 -0.82 4.88 5.08 -0.68 -1.60 114.58 121.56 3gnq h GLU 22 Ca -0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.92 3gnq h GLU 22 Cb 2.11 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.24 3gnq h GLU 22 CO 0.24 0.00 0.25 -1.71 -1.00 0.00 0.00 179.01 176.79 3gnq n ASN 23 N -2.54 4.24 -2.26 1.42 5.15 -0.86 -4.91 115.26 115.50 3gnq n ASN 23 Ca 0.01 -3.01 -0.20 0.00 -0.60 0.00 0.00 54.58 50.79 3gnq n ASN 23 Cb 0.23 -0.71 -0.01 0.00 -0.53 0.00 0.00 39.78 38.77 3gnq n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gnq n GLY 24 N -0.13 -0.43 3.38 8.20 0.00 -0.60 -2.47 105.19 113.14 3gnq n GLY 24 Ca 0.35 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.93 -3.39 0.21 1.61 5.02 -1.02 -4.86 118.16 112.79 3gnq n LYS 25 Ca -0.22 0.48 0.05 0.00 -2.02 0.00 0.00 58.31 56.60 3gnq n LYS 25 Cb 0.67 -5.18 0.46 0.00 -0.02 0.00 0.00 35.03 30.96 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 -0.99 0.00 -6.79 1.97 1.57 -1.73 -3.43 116.57 107.17 3gnq h LYS 26 Ca -0.43 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 3gnq h LYS 26 Cb 1.29 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.66 3gnq h LYS 26 CO 0.54 0.28 0.72 -1.01 -0.57 0.00 0.00 179.45 179.41 3gnq s HIS 27 N -4.24 3.01 -1.49 -1.35 3.76 -1.26 -4.90 115.29 108.81 3gnq s HIS 27 Ca -0.03 1.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.92 3gnq s HIS 27 Cb 0.14 -3.78 0.01 0.00 1.11 0.00 0.00 32.58 30.06 3gnq s HIS 27 CO 0.69 -2.43 2.48 -3.47 -0.85 0.00 0.00 174.74 171.15 3gnq n ASP 28 N 1.84 6.28 -4.05 1.40 4.64 -1.26 -4.85 116.55 120.54 3gnq n ASP 28 Ca 0.05 -2.80 -0.10 0.00 -1.38 0.00 0.00 54.79 50.55 3gnq n ASP 28 Cb 0.41 -1.57 -0.07 0.00 -1.04 0.00 0.00 41.12 38.85 3gnq n ASP 28 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3gnq s LEU 29 N 0.72 0.59 -0.02 -2.67 -0.00 -1.26 -2.68 118.68 113.37 3gnq s LEU 29 Ca 0.55 -1.06 0.02 0.00 -0.00 0.00 0.00 54.13 53.64 3gnq s LEU 29 Cb 0.15 1.33 0.00 0.00 -0.00 0.00 0.00 46.19 47.68 3gnq s LEU 29 CO -0.07 -1.04 -0.06 -1.61 -0.00 0.00 0.00 176.35 173.57 3gnq s GLU 30 N -4.06 0.65 -0.36 1.48 0.41 -0.53 -4.91 118.70 111.39 3gnq s GLU 30 Ca 0.27 -0.21 -0.21 0.00 -0.41 0.00 0.00 54.97 54.42 3gnq s GLU 30 Cb 0.02 -0.64 0.00 0.00 -1.78 0.00 0.00 34.13 31.73 3gnq s GLU 30 CO 0.09 0.08 0.65 0.42 -0.49 0.00 0.00 175.26 176.02 3gnq s ILE 31 N 0.17 4.87 -0.23 -1.63 1.01 -1.26 -0.68 121.20 123.45 3gnq s ILE 31 Ca -0.02 0.61 0.12 0.00 0.00 0.00 0.00 60.65 61.36 3gnq s ILE 31 Cb -0.07 -4.10 -0.17 0.00 0.01 0.00 0.00 42.46 38.14 3gnq s ILE 31 CO -0.00 -0.33 0.37 1.33 0.00 0.00 0.00 174.94 176.30 3gnq n VAL 32 N 5.61 0.00 -3.59 2.92 0.24 -0.31 -4.73 118.33 118.48 3gnq n VAL 32 Ca -0.01 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 61.87 3gnq n VAL 32 Cb 0.48 0.52 -0.07 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.57 -1.53 -0.04 2.33 0.00 -1.24 -1.86 121.76 116.85 3gnq s ALA 33 Ca -0.01 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.16 3gnq s ALA 33 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3gnq s ALA 33 CO 0.51 -0.34 -0.19 0.42 0.00 0.00 0.00 175.76 176.15 3gnq s ILE 34 N -1.04 1.59 -0.10 0.00 -1.09 -0.27 -0.99 121.20 119.29 3gnq s ILE 34 Ca -0.10 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.51 3gnq s ILE 34 Cb -0.02 -1.34 0.02 0.00 -1.58 0.00 0.00 42.46 39.54 3gnq s ILE 34 CO 0.08 0.45 -0.14 0.21 -1.23 0.00 0.00 174.94 174.31 3gnq s ASN 35 N -0.17 2.31 0.00 3.58 2.47 -0.44 -0.85 114.94 121.84 3gnq s ASN 35 Ca 0.00 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 52.89 3gnq s ASN 35 Cb -0.11 -1.02 0.00 0.00 -1.45 0.00 0.00 41.25 38.68 3gnq s ASN 35 CO 0.01 -0.00 0.00 -0.67 -3.72 0.00 0.00 177.10 172.72 3gnq n ASP 36 N 4.26 0.20 -0.00 -4.21 2.03 -0.94 -0.36 116.55 117.53 3gnq n ASP 36 Ca -0.19 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.16 3gnq n ASP 36 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.18 0.00 -2.67 4.77 -1.26 -4.01 117.00 114.01 3gnq n LEU 37 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3gnq n LEU 37 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gnq n LEU 37 CO 0.00 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3gnq n GLY 38 N 1.64 2.98 3.97 -0.72 0.00 -1.26 -4.99 105.19 106.80 3gnq n GLY 38 Ca -0.00 -2.14 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.89 5.08 0.38 1.61 1.47 -1.26 -4.72 116.67 118.34 3gnq s ASP 39 Ca 0.00 0.01 0.11 0.00 1.18 0.00 0.00 52.55 53.85 3gnq s ASP 39 Cb 0.00 -0.79 0.88 0.00 -0.34 0.00 0.00 42.92 42.67 3gnq s ASP 39 CO 0.00 -1.31 1.90 0.00 0.68 0.00 0.00 175.17 176.44 3gnq h ALA 40 N -0.12 1.90 -0.98 2.11 0.00 -1.91 -1.41 119.26 118.85 3gnq h ALA 40 Ca -0.42 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3gnq h ALA 40 Cb 1.30 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3gnq h ALA 40 CO 0.52 -0.11 0.63 -0.22 0.00 0.00 0.00 179.25 180.07 3gnq h LYS 41 N 0.61 1.14 -0.13 0.00 3.64 -1.94 0.11 116.57 120.00 3gnq h LYS 41 Ca 0.40 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3gnq h LYS 41 Cb 0.69 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3gnq h LYS 41 CO -0.16 0.75 -0.23 1.15 -2.27 0.00 0.00 179.45 178.69 3gnq h THR 42 N 1.17 1.37 -0.64 1.00 2.02 -1.65 -2.32 112.91 113.86 3gnq h THR 42 Ca 0.42 -1.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 3gnq h THR 42 Cb 0.13 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3gnq h THR 42 CO -0.16 0.43 0.17 0.78 0.37 0.00 0.00 175.52 177.12 3gnq h ASN 43 N -0.02 0.93 -0.54 4.18 2.35 -1.11 -2.02 115.58 119.35 3gnq h ASN 43 Ca 0.01 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 3gnq h ASN 43 Cb 0.81 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3gnq h ASN 43 CO 0.05 0.89 0.06 0.00 -1.65 0.00 0.00 177.43 176.78 3gnq h ALA 44 N 1.23 0.72 -0.28 -0.83 0.00 -0.84 -0.84 119.26 118.42 3gnq h ALA 44 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gnq h ALA 44 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gnq h ALA 44 CO -0.00 0.49 0.17 1.25 0.00 0.00 0.00 179.25 181.15 3gnq h HIS 45 N 0.79 0.37 0.00 0.00 -0.00 -1.17 -1.31 115.15 113.83 3gnq h HIS 45 Ca 0.16 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 3gnq h HIS 45 Cb 0.45 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 3gnq h HIS 45 CO 0.03 0.28 -0.54 -0.07 -0.00 0.00 0.00 177.93 177.63 3gnq h LEU 46 N 0.35 0.00 -0.73 0.26 3.38 -1.30 -1.87 115.31 115.41 3gnq h LEU 46 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3gnq h LEU 46 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3gnq h LEU 46 CO -0.02 0.54 0.00 0.74 0.09 0.00 0.00 178.44 179.79 3gnq h THR 47 N 0.00 1.26 0.03 0.22 2.02 -1.02 -3.31 112.91 112.11 3gnq h THR 47 Ca -0.01 -1.11 -0.27 0.00 0.77 0.00 0.00 66.41 65.80 3gnq h THR 47 Cb 0.98 0.82 0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3gnq h THR 47 CO 0.07 0.40 -1.08 -0.61 0.37 0.00 0.00 175.52 174.67 3gnq h GLN 48 N 0.90 0.61 -6.30 6.66 5.75 -0.86 -3.38 115.11 118.49 3gnq h GLN 48 Ca 0.17 -0.70 -0.65 0.00 -0.15 0.00 0.00 58.65 57.32 3gnq h GLN 48 Cb 0.52 0.21 -0.29 0.00 1.07 0.00 0.00 27.48 28.99 3gnq h GLN 48 CO 0.03 1.29 -0.87 0.71 -2.65 0.00 0.00 178.83 177.34 3gnq s TYR 49 N -3.20 2.07 -0.09 3.99 2.02 -0.74 -1.01 117.35 120.39 3gnq s TYR 49 Ca -0.09 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 3gnq s TYR 49 Cb 0.07 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.33 3gnq s TYR 49 CO 0.91 -0.02 0.28 0.34 -1.57 0.00 0.00 175.55 175.49 3gnq s ASP 50 N -0.60 -0.28 0.02 2.29 3.68 -1.05 -4.58 116.67 116.16 3gnq s ASP 50 Ca 0.09 0.50 -0.28 0.00 2.13 0.00 0.00 52.55 54.99 3gnq s ASP 50 Cb -0.09 0.55 -0.16 0.00 -1.45 0.00 0.00 42.92 41.77 3gnq s ASP 50 CO -0.01 -0.14 1.20 0.74 0.13 0.00 0.00 175.17 177.09 3gnq h THR 51 N 4.60 0.15 -0.31 1.71 2.02 -1.97 -1.32 112.91 117.79 3gnq h THR 51 Ca -0.27 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 3gnq h THR 51 Cb 1.19 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3gnq h THR 51 CO 0.34 0.02 -0.28 0.00 0.37 0.00 0.00 175.52 175.97 3gnq h ALA 52 N -1.02 0.45 -0.17 6.16 0.00 -1.97 -3.28 119.26 119.43 3gnq h ALA 52 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gnq h ALA 52 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gnq h ALA 52 CO 0.15 0.46 0.00 0.72 0.00 0.00 0.00 179.25 180.58 3gnq n HIS 53 N -4.25 0.20 -4.36 0.00 8.25 -1.26 -4.98 115.22 108.83 3gnq n HIS 53 Ca -0.03 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3gnq n HIS 53 Cb 0.47 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 1.02 -1.22 3.72 -1.41 0.00 -0.50 -4.83 105.19 101.97 3gnq n GLY 54 Ca 0.12 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 3gnq n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gnq s LYS 55 N 0.00 4.58 0.16 1.61 0.00 -1.26 -2.52 119.74 122.30 3gnq s LYS 55 Ca 0.00 1.49 -0.34 0.00 0.00 0.00 0.00 55.97 57.12 3gnq s LYS 55 Cb 0.00 -3.41 -0.14 0.00 0.00 0.00 0.00 37.83 34.27 3gnq s LYS 55 CO 0.00 -0.00 1.50 0.34 0.00 0.00 0.00 175.35 177.19 3gnq n PHE 56 N 3.53 2.09 0.26 1.78 7.35 -0.18 -4.89 117.46 127.39 3gnq n PHE 56 Ca 0.05 0.37 0.14 0.00 -0.76 0.00 0.00 57.45 57.25 3gnq n PHE 56 Cb 0.50 -2.48 0.65 0.00 0.35 0.00 0.00 39.48 38.49 3gnq n PHE 56 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3gnq h PRO 57 N 5.37 0.00 0.00 -7.13 0.11 -1.94 -3.45 132.00 124.96 3gnq h PRO 57 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gnq h PRO 57 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gnq h PRO 57 CO 0.85 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 3gnq n GLY 58 N -0.17 1.23 3.41 -0.55 0.00 -1.26 -5.11 105.19 102.74 3gnq n GLY 58 Ca -0.00 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 3gnq n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gnq s GLU 59 N 2.06 3.49 -0.11 1.61 0.41 -1.26 -4.99 118.70 119.90 3gnq s GLU 59 Ca 0.00 -0.62 0.02 0.00 -0.41 0.00 0.00 54.97 53.95 3gnq s GLU 59 Cb 0.00 -2.75 0.02 0.00 -1.78 0.00 0.00 34.13 29.62 3gnq s GLU 59 CO 0.00 0.20 -0.15 0.08 -0.49 0.00 0.00 175.26 174.90 3gnq s VAL 60 N 0.41 1.53 0.34 2.63 1.01 -1.26 -0.84 120.40 124.22 3gnq s VAL 60 Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3gnq s VAL 60 Cb -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3gnq s VAL 60 CO 0.04 0.45 0.13 -0.94 0.00 0.00 0.00 175.10 174.79 3gnq s SER 61 N 1.04 2.02 0.01 3.32 1.04 -0.55 -5.01 113.70 115.57 3gnq s SER 61 Ca -0.05 -1.56 0.08 0.00 0.48 0.00 0.00 55.95 54.89 3gnq s SER 61 Cb -0.15 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 3gnq s SER 61 CO -0.03 -0.85 -0.24 -0.69 0.98 0.00 0.00 173.24 172.41 3gnq s VAL 62 N -3.45 1.90 -0.37 5.02 1.01 -1.26 -2.05 120.40 121.20 3gnq s VAL 62 Ca 0.32 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3gnq s VAL 62 Cb 0.05 -1.60 0.15 0.00 0.00 0.00 0.00 36.38 34.98 3gnq s VAL 62 CO 0.16 0.44 0.27 -0.62 0.00 0.00 0.00 175.10 175.35 3gnq s ASP 63 N -0.81 2.33 1.42 3.32 2.15 -0.01 -4.96 116.67 120.11 3gnq s ASP 63 Ca 0.09 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 50.73 3gnq s ASP 63 Cb -0.09 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.25 3gnq s ASP 63 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3gnq n GLY 64 N 3.74 2.26 1.81 2.66 0.00 -1.26 -1.98 105.19 112.43 3gnq n GLY 64 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 10.00 5.03 -4.03 1.61 9.92 -1.26 -4.76 116.55 133.07 3gnq n ASP 65 Ca 0.00 -2.93 -0.24 0.00 -0.53 0.00 0.00 54.79 51.09 3gnq n ASP 65 Cb 0.00 -0.69 -0.16 0.00 -0.64 0.00 0.00 41.12 39.63 3gnq n ASP 65 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3gnq s TYR 66 N -2.64 1.42 -0.08 1.24 1.51 -0.84 -1.66 117.35 116.29 3gnq s TYR 66 Ca 0.49 -0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 55.88 3gnq s TYR 66 Cb 0.38 -1.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 3gnq s TYR 66 CO 0.14 -0.25 0.46 -1.17 -1.11 0.00 0.00 175.55 173.61 3gnq s LEU 67 N 0.59 4.34 -0.18 -1.29 2.96 0.13 -0.82 118.68 124.40 3gnq s LEU 67 Ca -0.13 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 3gnq s LEU 67 Cb -0.15 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.89 3gnq s LEU 67 CO 0.03 0.10 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.29 3gnq s VAL 68 N 0.08 2.19 -0.18 1.68 1.01 -0.87 0.41 120.40 124.72 3gnq s VAL 68 Ca 0.25 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3gnq s VAL 68 Cb -0.16 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.32 3gnq s VAL 68 CO 0.11 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.90 3gnq s VAL 69 N 1.31 1.82 -1.54 2.92 1.01 -0.29 -1.47 120.40 124.15 3gnq s VAL 69 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 3gnq s VAL 69 Cb -0.13 -1.74 0.08 0.00 0.00 0.00 0.00 36.38 34.59 3gnq s VAL 69 CO -0.12 0.39 0.70 0.59 0.00 0.00 0.00 175.10 176.65 3gnq n ASN 70 N 4.67 -2.45 0.00 3.32 3.02 -0.02 -1.27 115.26 122.53 3gnq n ASN 70 Ca -0.18 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3gnq n ASN 70 Cb 0.49 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.46 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 -1.68 2.52 3.74 7.41 0.00 -1.26 -5.01 105.19 110.90 3gnq n GLY 71 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.29 7.05 -0.22 1.61 1.01 -0.40 -5.04 116.67 117.39 3gnq s ASP 72 Ca 0.00 1.26 -0.17 0.00 0.71 0.00 0.00 52.55 54.35 3gnq s ASP 72 Cb 0.00 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3gnq s ASP 72 CO 0.00 -0.01 0.44 -0.13 0.21 0.00 0.00 175.17 175.67 3gnq s ARG 73 N 0.25 4.15 -0.10 8.23 0.52 -1.26 -1.14 118.95 129.60 3gnq s ARG 73 Ca 0.36 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.82 3gnq s ARG 73 Cb -0.19 -3.57 0.02 0.00 0.52 0.00 0.00 34.95 31.73 3gnq s ARG 73 CO 0.19 -0.13 -0.12 0.42 0.02 0.00 0.00 175.30 175.69 3gnq s ILE 74 N 1.60 1.23 0.04 1.52 1.01 0.17 -4.85 121.20 121.92 3gnq s ILE 74 Ca 0.20 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 3gnq s ILE 74 Cb -0.15 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 3gnq s ILE 74 CO 0.09 0.39 0.91 -0.60 0.00 0.00 0.00 174.94 175.73 3gnq s ARG 75 N 1.19 4.59 -0.24 2.79 3.52 -0.78 0.21 118.95 130.23 3gnq s ARG 75 Ca -0.04 1.32 -0.09 0.00 -0.13 0.00 0.00 55.73 56.79 3gnq s ARG 75 Cb -0.14 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3gnq s ARG 75 CO -0.03 0.12 0.12 0.08 -0.81 0.00 0.00 175.30 174.78 3gnq s VAL 76 N 0.41 4.89 0.25 7.11 1.01 -0.67 -1.11 120.40 132.29 3gnq s VAL 76 Ca 0.46 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.57 3gnq s VAL 76 Cb -0.21 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3gnq s VAL 76 CO 0.27 0.35 -0.16 -0.76 0.00 0.00 0.00 175.10 174.80 3gnq s LEU 77 N 1.24 2.72 -0.40 3.92 1.43 -0.03 -4.86 118.68 122.70 3gnq s LEU 77 Ca 0.06 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.38 3gnq s LEU 77 Cb -0.14 -1.29 0.30 0.00 0.03 0.00 0.00 46.19 45.09 3gnq s LEU 77 CO 0.05 0.05 0.73 0.00 0.23 0.00 0.00 176.35 177.41 3gnq n ALA 78 N -0.45 1.47 -3.36 4.21 0.00 -1.26 -2.20 120.51 118.92 3gnq n ALA 78 Ca -0.07 -2.97 -0.30 0.00 0.00 0.00 0.00 53.44 50.10 3gnq n ALA 78 Cb 0.59 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.81 2.70 -0.15 0.00 3.84 -1.26 -4.92 114.94 113.34 3gnq s ASN 79 Ca 0.35 -0.49 0.12 0.00 0.21 0.00 0.00 52.86 53.06 3gnq s ASN 79 Cb 0.27 -1.23 0.62 0.00 -0.55 0.00 0.00 41.25 40.35 3gnq s ASN 79 CO -0.10 0.11 1.46 -2.11 -2.79 0.00 0.00 177.10 173.67 3gnq n ARG 80 N 3.71 3.75 -3.92 0.43 1.85 -1.26 -4.68 116.66 116.54 3gnq n ARG 80 Ca -0.20 -2.38 -0.30 0.00 -1.00 0.00 0.00 57.85 53.96 3gnq n ARG 80 Cb 0.52 -1.99 -0.15 0.00 -1.05 0.00 0.00 32.46 29.79 3gnq n ARG 80 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3gnq s ASN 81 N -0.67 4.25 0.44 2.89 3.84 -1.26 -5.02 114.94 119.41 3gnq s ASN 81 Ca 0.42 -1.66 0.14 0.00 0.21 0.00 0.00 52.86 51.96 3gnq s ASN 81 Cb 0.30 -1.27 1.03 0.00 -0.55 0.00 0.00 41.25 40.76 3gnq s ASN 81 CO 0.15 -0.33 1.99 -0.65 -2.79 0.00 0.00 177.10 175.46 3gnq h PRO 82 N 7.86 0.39 -0.82 0.43 0.11 -1.86 -2.50 132.00 135.61 3gnq h PRO 82 Ca -0.12 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.15 3gnq h PRO 82 Cb 1.04 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 31.91 3gnq h PRO 82 CO 0.47 0.26 -0.12 0.00 -0.21 0.00 0.00 178.00 178.39 3gnq h ALA 83 N 1.71 0.67 -3.00 -0.75 0.00 -1.92 -3.35 119.26 112.61 3gnq h ALA 83 Ca 0.26 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3gnq h ALA 83 Cb 0.49 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3gnq h ALA 83 CO -0.07 -0.43 0.00 0.39 0.00 0.00 0.00 179.25 179.15 3gnq n GLU 84 N -5.48 0.00 -1.83 0.00 1.02 -0.94 -3.51 120.64 109.90 3gnq n GLU 84 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3gnq n GLU 84 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 3gnq n GLU 84 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gnq n LEU 85 N 0.00 -3.68 -3.58 -4.62 4.77 -1.26 -4.50 117.00 104.13 3gnq n LEU 85 Ca 0.00 2.40 -0.41 0.00 -0.03 0.00 0.00 56.01 57.97 3gnq n LEU 85 Cb 0.00 -2.53 -0.00 0.00 -2.33 0.00 0.00 43.42 38.56 3gnq n LEU 85 CO 0.00 -0.99 2.36 -0.81 -1.33 0.00 0.00 177.39 176.61 3gnq n PRO 86 N 1.39 4.25 0.04 3.23 -0.04 -1.26 -4.65 135.00 137.96 3gnq n PRO 86 Ca 0.00 -3.38 -0.08 0.00 -0.04 0.00 0.00 63.50 60.00 3gnq n PRO 86 Cb 0.00 -2.73 0.07 0.00 -0.04 0.00 0.00 33.50 30.80 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 4.96 0.54 -0.04 0.54 -0.00 -1.75 -2.32 115.95 117.88 3gnq h TRP 87 Ca 0.63 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.89 59.31 3gnq h TRP 87 Cb 0.39 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 29.46 3gnq h TRP 87 CO 1.53 0.92 0.01 0.78 -0.00 0.00 0.00 178.44 181.68 3gnq h GLY 88 N 1.24 0.07 0.03 1.49 0.00 -1.65 1.18 103.07 105.43 3gnq h GLY 88 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.39 3gnq h GLY 88 CO 0.11 0.04 -0.04 -2.09 0.00 0.00 0.00 176.54 174.55 3gnq h GLU 89 N -0.17 0.07 0.00 4.80 4.81 -1.87 -2.05 114.58 120.18 3gnq h GLU 89 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gnq h GLU 89 Cb 0.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3gnq h GLU 89 CO 0.00 0.05 -0.23 1.28 -0.73 0.00 0.00 179.01 179.38 3gnq n LEU 90 N -5.29 0.74 -2.42 1.64 4.77 -0.88 -4.97 117.00 110.59 3gnq n LEU 90 Ca 0.06 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.38 3gnq n LEU 90 Cb 0.30 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3gnq n LEU 90 CO 0.12 -0.12 0.07 0.61 -1.33 0.00 0.00 177.39 176.74 3gnq n GLY 91 N 1.33 -0.02 3.70 -0.72 0.00 0.40 -4.96 105.19 104.92 3gnq n GLY 91 Ca 0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.21 4.31 -0.08 1.61 1.01 -0.69 -4.74 120.40 118.61 3gnq s VAL 92 Ca 0.04 1.65 -0.22 0.00 0.00 0.00 0.00 61.98 63.44 3gnq s VAL 92 Cb -0.02 -4.06 -0.29 0.00 0.00 0.00 0.00 36.38 32.01 3gnq s VAL 92 CO 0.43 0.09 0.78 0.44 0.00 0.00 0.00 175.10 176.84 3gnq h ASP 93 N 7.00 0.34 -3.29 3.32 3.32 -0.31 -2.80 116.42 124.01 3gnq h ASP 93 Ca -0.39 -0.93 -0.45 0.00 0.02 0.00 0.00 57.03 55.29 3gnq h ASP 93 Cb 1.20 -0.11 -0.37 0.00 0.22 0.00 0.00 39.33 40.27 3gnq h ASP 93 CO 0.82 1.36 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.23 3gnq s VAL 94 N -2.39 0.55 -0.13 -1.35 1.01 -1.00 -1.51 120.40 115.57 3gnq s VAL 94 Ca -0.16 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3gnq s VAL 94 Cb 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3gnq s VAL 94 CO 0.78 0.27 0.48 -0.69 0.00 0.00 0.00 175.10 175.94 3gnq s VAL 95 N 1.64 5.18 -0.51 2.92 1.01 -0.10 -1.80 120.40 128.75 3gnq s VAL 95 Ca 0.01 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 3gnq s VAL 95 Cb -0.13 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.49 3gnq s VAL 95 CO -0.04 0.30 0.72 -0.04 0.00 0.00 0.00 175.10 176.04 3gnq s MET 96 N 0.79 3.21 -0.62 2.72 -1.94 0.17 -0.60 119.30 123.03 3gnq s MET 96 Ca 0.25 -0.62 -0.24 0.00 -1.71 0.00 0.00 55.69 53.38 3gnq s MET 96 Cb -0.15 -4.06 0.05 0.00 2.01 0.00 0.00 34.83 32.68 3gnq s MET 96 CO 0.10 -1.25 1.01 -2.00 -0.01 0.00 0.00 175.02 172.86 3gnq s GLU 97 N 3.03 3.22 -0.13 2.03 2.56 0.29 -0.64 118.70 129.06 3gnq s GLU 97 Ca 0.21 -0.49 0.17 0.00 0.00 0.00 0.00 54.97 54.86 3gnq s GLU 97 Cb -0.16 -4.15 0.43 0.00 2.00 0.00 0.00 34.13 32.25 3gnq s GLU 97 CO 0.15 -1.73 1.19 0.00 -0.56 0.00 0.00 175.26 174.32 3gnq n THR 99 N -0.41 0.35 -0.62 0.00 -2.24 -1.16 -4.59 114.28 105.62 3gnq n THR 99 Ca 0.15 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3gnq n THR 99 Cb 0.90 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3gnq n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gnq n GLY 100 N 1.22 1.02 0.53 3.38 0.00 -1.26 -4.92 105.19 105.16 3gnq n GLY 100 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.08 -2.74 1.61 3.01 -1.26 -4.69 117.46 111.47 3gnq n PHE 101 Ca 0.00 -0.07 -0.16 0.00 1.01 0.00 0.00 57.45 58.22 3gnq n PHE 101 Cb 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.69 1.74 -1.74 1.38 3.72 -1.26 -4.97 117.46 117.01 3gnq n PHE 102 Ca 0.08 -3.15 -0.36 0.00 -0.05 0.00 0.00 57.45 53.98 3gnq n PHE 102 Cb 0.33 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.11 3.51 -3.55 4.37 -2.24 -1.26 -3.93 114.28 111.07 3gnq n THR 103 Ca 0.21 -3.79 -0.16 0.00 -2.27 0.00 0.00 64.05 58.03 3gnq n THR 103 Cb 0.72 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.72 -0.64 0.24 3.42 1.04 -1.26 -2.87 113.70 112.91 3gnq s SER 104 Ca 0.54 0.83 -0.08 0.00 0.48 0.00 0.00 55.95 57.72 3gnq s SER 104 Cb 0.43 0.71 0.40 0.00 0.10 0.00 0.00 66.02 67.65 3gnq s SER 104 CO -0.33 -0.49 1.63 0.50 0.98 0.00 0.00 173.24 175.54 3gnq h LYS 105 N 3.39 0.08 0.15 4.02 1.63 -1.87 0.16 116.57 124.13 3gnq h LYS 105 Ca -0.26 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.55 3gnq h LYS 105 Cb 1.15 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.72 3gnq h LYS 105 CO 0.30 0.06 -0.37 1.49 -3.45 0.00 0.00 179.45 177.48 3gnq h GLU 106 N 0.09 -0.60 -0.37 1.90 4.22 -1.96 -1.02 114.58 116.85 3gnq h GLU 106 Ca 0.39 0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.76 3gnq h GLU 106 Cb 0.67 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3gnq h GLU 106 CO -0.66 -0.40 -0.20 0.87 -2.18 0.00 0.00 179.01 176.44 3gnq h LYS 107 N -0.62 0.79 0.00 1.92 1.57 -1.69 -3.15 116.57 115.39 3gnq h LYS 107 Ca 0.02 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3gnq h LYS 107 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3gnq h LYS 107 CO -0.20 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 3gnq h ALA 108 N 0.79 1.00 0.00 3.86 0.00 -0.61 -3.02 119.26 121.28 3gnq h ALA 108 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gnq h ALA 108 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gnq h ALA 108 CO 0.06 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.08 3gnq h SER 109 N 0.00 0.00 -0.25 0.00 0.02 -1.13 -2.44 113.55 109.75 3gnq h SER 109 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3gnq h SER 109 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3gnq h SER 109 CO 0.00 0.00 0.45 0.00 -1.14 0.00 0.00 176.83 176.14 3gnq h ALA 110 N 2.03 1.82 -0.09 3.77 0.00 -1.71 0.24 119.26 125.32 3gnq h ALA 110 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 3gnq h ALA 110 Cb 0.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gnq h ALA 110 CO 0.00 -0.58 -0.88 0.45 0.00 0.00 0.00 179.25 178.24 3gnq h HIS 111 N 0.00 1.03 -0.20 0.00 3.86 -1.68 -2.39 115.15 115.78 3gnq h HIS 111 Ca 0.12 -0.50 0.03 0.00 -1.16 0.00 0.00 60.37 58.86 3gnq h HIS 111 Cb 1.02 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 3gnq h HIS 111 CO 0.00 1.33 0.03 -0.07 0.86 0.00 0.00 177.93 180.07 3gnq h LEU 112 N 0.47 -0.02 -1.34 2.43 4.07 -0.73 -1.26 115.31 118.94 3gnq h LEU 112 Ca -0.08 0.03 0.23 0.00 0.08 0.00 0.00 57.88 58.14 3gnq h LEU 112 Cb 1.51 0.05 -0.09 0.00 1.08 0.00 0.00 40.66 43.22 3gnq h LEU 112 CO 0.18 0.02 0.64 0.11 -1.08 0.00 0.00 178.44 178.30 3gnq h LYS 113 N 0.10 0.46 -0.00 1.13 6.56 -1.32 -0.93 116.57 122.57 3gnq h LYS 113 Ca 0.09 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 3gnq h LYS 113 Cb 0.09 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 3gnq h LYS 113 CO -0.13 0.31 -0.11 0.41 -2.06 0.00 0.00 179.45 177.87 3gnq n GLY 114 N -1.46 -1.32 0.00 3.86 0.00 -0.54 -4.93 105.19 100.79 3gnq n GLY 114 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.43 1.56 3.79 -0.02 0.00 -0.35 -2.31 105.19 109.28 3gnq n GLY 115 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.56 2.68 -0.08 4.61 0.00 -0.98 -3.99 121.76 122.45 3gnq s ALA 116 Ca 0.00 0.53 0.14 0.00 0.00 0.00 0.00 51.96 52.63 3gnq s ALA 116 Cb 0.00 -3.28 -0.23 0.00 0.00 0.00 0.00 23.12 19.62 3gnq s ALA 116 CO 0.00 -0.86 0.55 1.63 0.00 0.00 0.00 175.76 177.09 3gnq n LYS 117 N -1.87 0.64 -3.77 0.00 5.02 -1.06 -4.21 118.16 112.91 3gnq n LYS 117 Ca 0.10 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.48 3gnq n LYS 117 Cb 0.52 -1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 3gnq n LYS 117 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gnq s LYS 118 N -2.61 0.67 0.03 1.97 1.02 -0.57 -4.87 119.74 115.37 3gnq s LYS 118 Ca -0.06 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.73 3gnq s LYS 118 Cb 0.08 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.66 3gnq s LYS 118 CO 0.83 -0.19 -0.16 0.08 -0.92 0.00 0.00 175.35 174.99 3gnq s VAL 119 N -1.49 1.26 -0.24 3.17 1.01 0.17 -0.92 120.40 123.35 3gnq s VAL 119 Ca -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 3gnq s VAL 119 Cb -0.05 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.25 3gnq s VAL 119 CO 0.03 0.12 -0.07 -0.63 0.00 0.00 0.00 175.10 174.55 3gnq s ILE 120 N -0.73 2.82 0.11 2.22 1.01 0.23 -1.82 121.20 125.04 3gnq s ILE 120 Ca 0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 3gnq s ILE 120 Cb -0.08 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 3gnq s ILE 120 CO 0.01 0.21 1.10 -0.63 0.00 0.00 0.00 174.94 175.63 3gnq s ILE 121 N 1.32 4.11 -0.35 2.92 1.01 0.29 -0.55 121.20 129.95 3gnq s ILE 121 Ca 0.00 1.67 -0.02 0.00 0.00 0.00 0.00 60.65 62.30 3gnq s ILE 121 Cb -0.16 -4.07 0.12 0.00 0.01 0.00 0.00 42.46 38.36 3gnq s ILE 121 CO -0.05 0.22 2.41 -1.54 0.00 0.00 0.00 174.94 175.98 3gnq n SER 122 N 3.07 6.38 -3.63 3.58 3.41 -0.51 -0.47 113.62 125.45 3gnq n SER 122 Ca 0.05 -3.07 0.02 0.00 -0.26 0.00 0.00 58.87 55.61 3gnq n SER 122 Cb 0.47 -1.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -1.58 -2.33 0.27 7.33 0.00 -1.13 -4.91 121.76 119.41 3gnq s ALA 123 Ca 0.43 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 3gnq s ALA 123 Cb 0.30 0.39 -0.12 0.00 0.00 0.00 0.00 23.12 23.69 3gnq s ALA 123 CO -0.09 -1.07 1.58 -2.30 0.00 0.00 0.00 175.76 173.88 3gnq n PRO 124 N -0.54 2.57 -3.46 0.00 -0.02 -1.20 -3.48 135.00 128.87 3gnq n PRO 124 Ca -0.07 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.09 3gnq n PRO 124 Cb 0.63 -2.69 0.04 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.55 2.04 1.23 -1.23 0.00 -1.26 -4.86 107.32 103.78 3gnq s GLY 125 Ca 0.66 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 43.52 3gnq s GLY 125 CO 0.47 -1.84 1.02 -0.32 0.00 0.00 0.00 173.10 172.43 3gnq s GLY 126 N -4.52 1.51 0.65 0.20 0.00 -1.14 -4.88 107.32 99.15 3gnq s GLY 126 Ca 0.48 -0.53 0.43 0.00 0.00 0.00 0.00 44.72 45.11 3gnq s GLY 126 CO 0.30 0.29 2.33 0.50 0.00 0.00 0.00 173.10 176.53 3gnq h LYS 127 N -2.75 0.00 0.00 2.90 1.79 -2.00 -3.13 116.57 113.39 3gnq h LYS 127 Ca -0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 3gnq h LYS 127 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 3gnq h LYS 127 CO 0.43 0.00 0.00 0.38 -1.08 0.00 0.00 179.45 179.18 3gnq h ASP 128 N 0.00 0.00 -4.25 0.86 2.03 -1.99 -3.45 116.42 109.61 3gnq h ASP 128 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 3gnq h ASP 128 Cb 0.04 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 38.68 3gnq h ASP 128 CO 0.00 0.00 0.32 0.68 -1.03 0.00 0.00 179.24 179.21 3gnq s VAL 129 N -3.56 2.82 0.14 4.15 -7.23 -1.18 -4.73 120.40 110.80 3gnq s VAL 129 Ca 0.02 0.32 0.10 0.00 -1.81 0.00 0.00 61.98 60.61 3gnq s VAL 129 Cb 0.09 -2.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 3gnq s VAL 129 CO 0.51 -0.30 1.44 0.44 -0.31 0.00 0.00 175.10 176.88 3gnq h ASP 130 N -0.88 0.00 -4.87 4.85 3.32 -1.43 -3.45 116.42 113.96 3gnq h ASP 130 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3gnq h ASP 130 Cb 1.26 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.61 3gnq h ASP 130 CO 0.49 0.76 0.08 0.00 -1.72 0.00 0.00 179.24 178.86 3gnq s ALA 131 N -3.10 -1.56 -0.20 3.45 0.00 -1.26 -5.05 121.76 114.04 3gnq s ALA 131 Ca 0.01 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 3gnq s ALA 131 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3gnq s ALA 131 CO 0.78 -0.34 -0.09 0.99 0.00 0.00 0.00 175.76 177.10 3gnq s THR 132 N -1.02 3.03 -0.10 0.00 2.01 -1.26 -1.12 115.64 117.17 3gnq s THR 132 Ca -0.10 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.31 3gnq s THR 132 Cb -0.02 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 3gnq s THR 132 CO 0.08 0.46 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.65 3gnq s ILE 133 N 1.29 2.49 -0.35 1.82 -1.09 0.16 -4.79 121.20 120.73 3gnq s ILE 133 Ca 0.03 -0.88 -0.04 0.00 -2.23 0.00 0.00 60.65 57.54 3gnq s ILE 133 Cb -0.14 -1.99 0.07 0.00 -1.58 0.00 0.00 42.46 38.82 3gnq s ILE 133 CO -0.04 0.55 0.11 -0.69 -1.23 0.00 0.00 174.94 173.64 3gnq s VAL 134 N 0.20 3.37 0.31 2.92 1.01 -1.26 -3.86 120.40 123.09 3gnq s VAL 134 Ca -0.12 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 3gnq s VAL 134 Cb -0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 3gnq s VAL 134 CO 0.06 -0.34 1.36 -0.47 0.00 0.00 0.00 175.10 175.72 3gnq s TYR 135 N 1.27 2.99 0.00 5.22 5.04 -1.26 -1.70 117.35 128.91 3gnq s TYR 135 Ca 0.00 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 3gnq s TYR 135 Cb -0.21 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.35 3gnq s TYR 135 CO -0.01 -2.21 0.00 0.41 -1.34 0.00 0.00 175.55 172.40 3gnq n GLY 136 N 1.17 3.22 0.86 8.97 0.00 -1.26 -4.87 105.19 113.29 3gnq n GLY 136 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.44 0.32 -1.05 1.61 0.31 -0.69 -4.91 118.33 112.48 3gnq n VAL 137 Ca 0.00 -0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.30 3gnq n VAL 137 Cb 0.00 -1.57 0.01 0.00 -0.91 0.00 0.00 33.84 31.37 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 -3.23 0.50 0.30 4.52 6.94 -1.02 -4.87 115.26 118.39 3gnq n ASN 138 Ca -0.09 -1.53 0.19 0.00 -0.02 0.00 0.00 54.58 53.13 3gnq n ASN 138 Cb 0.53 -0.07 1.01 0.00 -2.36 0.00 0.00 39.78 38.89 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 0.00 0.00 0.00 -2.53 2.07 -1.92 -1.00 115.15 111.76 3gnq h HIS 139 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3gnq h HIS 139 Cb 1.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.98 3gnq h HIS 139 CO 0.02 0.00 0.00 -0.44 -3.07 0.00 0.00 177.93 174.44 3gnq h ASP 140 N 0.00 0.00 0.60 3.10 3.32 -1.96 -2.05 116.42 119.43 3gnq h ASP 140 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3gnq h ASP 140 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3gnq h ASP 140 CO -0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3gnq n VAL 141 N -2.56 0.58 -2.19 -1.35 0.24 -0.38 -4.86 118.33 107.82 3gnq n VAL 141 Ca -0.01 0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 62.04 3gnq n VAL 141 Cb 0.09 -0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 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 -2.89 4.30 0.03 1.34 1.43 -0.77 -5.04 118.68 117.08 3gnq s LEU 142 Ca 0.12 2.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.78 3gnq s LEU 142 Cb 0.13 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 3gnq s LEU 142 CO 0.35 -0.63 -0.10 -0.54 0.23 0.00 0.00 176.35 175.65 3gnq s LYS 143 N -2.05 0.67 0.32 1.70 1.02 -1.26 -4.71 119.74 115.43 3gnq s LYS 143 Ca 0.53 -0.63 0.11 0.00 0.02 0.00 0.00 55.97 56.00 3gnq s LYS 143 Cb -0.36 -0.58 0.96 0.00 -0.52 0.00 0.00 37.83 37.33 3gnq s LYS 143 CO 0.46 0.14 1.68 0.00 -0.92 0.00 0.00 175.35 176.71 3gnq h ALA 144 N 5.00 1.79 -0.06 5.17 0.00 -1.88 0.51 119.26 129.79 3gnq h ALA 144 Ca -0.35 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3gnq h ALA 144 Cb 1.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3gnq h ALA 144 CO 0.44 -0.45 -0.21 1.05 0.00 0.00 0.00 179.25 180.08 3gnq h GLU 145 N 0.39 0.10 -6.39 0.00 4.11 -1.96 -3.44 114.58 107.38 3gnq h GLU 145 Ca 0.67 -0.03 -0.54 0.00 0.07 0.00 0.00 59.36 59.54 3gnq h GLU 145 Cb 1.43 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.69 3gnq h GLU 145 CO -0.57 0.31 1.18 0.72 0.07 0.00 0.00 179.01 180.73 3gnq n HIS 146 N -4.25 2.53 -0.09 2.06 8.25 0.17 -4.89 115.22 119.00 3gnq n HIS 146 Ca -0.02 -0.27 -0.14 0.00 -0.26 0.00 0.00 57.72 57.03 3gnq n HIS 146 Cb 0.30 -2.77 -0.07 0.00 1.12 0.00 0.00 29.99 28.56 3gnq n HIS 146 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gnq n THR 147 N 5.25 0.99 -4.06 1.59 -2.24 -1.26 -4.93 114.28 109.62 3gnq n THR 147 Ca 0.20 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 3gnq n THR 147 Cb 0.39 -1.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.14 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 -2.34 2.37 0.38 2.28 1.01 -1.26 0.44 120.40 123.28 3gnq s VAL 148 Ca -0.24 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 60.82 3gnq s VAL 148 Cb 0.07 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 3gnq s VAL 148 CO 0.37 0.40 -0.00 0.27 0.00 0.00 0.00 175.10 176.14 3gnq s ILE 149 N 1.30 1.91 -0.03 2.22 -4.36 -0.76 -1.10 121.20 120.37 3gnq s ILE 149 Ca 0.03 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.42 3gnq s ILE 149 Cb -0.15 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.64 3gnq s ILE 149 CO -0.09 -0.04 -0.14 -0.55 0.24 0.00 0.00 174.94 174.35 3gnq s SER 150 N -3.65 4.05 0.00 4.36 0.15 -0.28 -0.55 113.70 117.78 3gnq s SER 150 Ca 0.35 -0.23 0.15 0.00 0.70 0.00 0.00 55.95 56.92 3gnq s SER 150 Cb 0.09 -0.83 0.57 0.00 -1.71 0.00 0.00 66.02 64.13 3gnq s SER 150 CO 0.17 0.33 1.41 -3.20 1.20 0.00 0.00 173.24 173.15 3gnq n ASN 151 N 2.11 1.30 -0.22 5.45 5.15 0.39 -0.66 115.26 128.78 3gnq n ASN 151 Ca -0.17 -1.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.01 3gnq n ASN 151 Cb 0.52 -0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 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 0.13 0.00 -2.21 5.20 0.00 -1.23 -4.63 120.51 117.78 3gnq n ALA 152 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 3gnq n ALA 152 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 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 5.05 0.19 0.00 1.04 -1.26 -2.84 113.70 111.87 3gnq s SER 153 Ca 0.00 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.51 3gnq s SER 153 Cb 0.00 -0.37 0.16 0.00 0.10 0.00 0.00 66.02 65.91 3gnq s SER 153 CO 0.00 -0.78 1.79 0.00 0.98 0.00 0.00 173.24 175.23 3gnq h THR 155 N 0.56 1.17 -0.76 0.00 2.02 -1.96 -1.59 112.91 112.36 3gnq h THR 155 Ca 0.24 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.93 3gnq h THR 155 Cb 0.13 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 3gnq h THR 155 CO -0.16 0.18 0.47 0.74 0.37 0.00 0.00 175.52 177.13 3gnq h THR 156 N 0.30 1.09 0.00 3.16 2.02 -1.82 0.63 112.91 118.30 3gnq h THR 156 Ca 0.09 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3gnq h THR 156 Cb 0.18 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3gnq h THR 156 CO -0.01 0.17 -0.13 0.78 0.37 0.00 0.00 175.52 176.70 3gnq h ASN 157 N 0.91 0.00 0.56 4.18 4.21 -1.07 -1.83 115.58 122.55 3gnq h ASN 157 Ca 0.31 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.53 3gnq h ASN 157 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3gnq h ASN 157 CO -0.12 0.13 -1.32 0.00 -1.29 0.00 0.00 177.43 174.82 3gnq h LEU 159 N 0.08 0.68 -0.02 0.00 5.85 -0.66 -3.26 115.31 117.98 3gnq h LEU 159 Ca -0.17 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.65 3gnq h LEU 159 Cb 2.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.78 3gnq h LEU 159 CO 0.20 1.61 -0.13 0.00 -0.34 0.00 0.00 178.44 179.78 3gnq h ALA 160 N 0.11 -0.13 0.00 1.25 0.00 -1.54 -0.10 119.26 118.86 3gnq h ALA 160 Ca -0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gnq h ALA 160 Cb 1.97 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 3gnq h ALA 160 CO 0.22 -0.61 -0.07 -1.35 0.00 0.00 0.00 179.25 177.44 3gnq h PRO 161 N -0.20 0.00 -0.02 0.00 0.11 -1.75 -0.16 132.00 129.98 3gnq h PRO 161 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3gnq h PRO 161 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3gnq h PRO 161 CO -0.14 0.07 -0.17 1.25 -0.21 0.00 0.00 178.00 178.80 3gnq h LEU 162 N 0.00 0.17 0.21 2.35 6.46 -1.40 -3.38 115.31 119.72 3gnq h LEU 162 Ca -0.00 -0.72 -0.32 0.00 -0.12 0.00 0.00 57.88 56.72 3gnq h LEU 162 Cb 0.31 -0.05 0.03 0.00 -0.73 0.00 0.00 40.66 40.22 3gnq h LEU 162 CO 0.01 0.86 -1.41 1.62 -0.62 0.00 0.00 178.44 178.90 3gnq h VAL 163 N -0.50 1.32 -0.17 1.05 3.04 -0.74 -3.38 116.25 116.86 3gnq h VAL 163 Ca -0.02 -2.72 0.03 0.00 -1.01 0.00 0.00 66.70 62.98 3gnq h VAL 163 Cb 0.87 2.98 -0.06 0.00 -2.01 0.00 0.00 31.29 33.07 3gnq h VAL 163 CO 0.03 0.81 -0.53 0.50 -1.01 0.00 0.00 177.57 177.38 3gnq h LYS 164 N 0.16 -0.51 0.00 4.17 3.64 -1.21 -0.88 116.57 121.94 3gnq h LYS 164 Ca -0.23 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 3gnq h LYS 164 Cb 2.11 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 34.04 3gnq h LYS 164 CO 0.26 -0.34 -0.12 -1.35 -2.27 0.00 0.00 179.45 175.63 3gnq h PRO 165 N -0.53 0.00 0.12 1.90 0.11 -1.76 -1.89 132.00 129.95 3gnq h PRO 165 Ca 0.04 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.85 3gnq h PRO 165 Cb 0.64 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.78 3gnq h PRO 165 CO -0.45 0.12 -1.25 -0.07 -0.21 0.00 0.00 178.00 176.14 3gnq h LEU 166 N 0.00 0.88 -1.63 2.35 3.38 -1.58 -2.96 115.31 115.75 3gnq h LEU 166 Ca -0.00 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 57.12 3gnq h LEU 166 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gnq h LEU 166 CO 0.02 1.61 -0.20 -1.13 0.09 0.00 0.00 178.44 178.83 3gnq h ASN 167 N 0.28 0.00 0.35 -0.43 -1.24 -0.88 -0.63 115.58 113.03 3gnq h ASN 167 Ca -0.19 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.57 3gnq h ASN 167 Cb 1.92 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.98 3gnq h ASN 167 CO 0.24 0.20 -1.07 0.44 -1.29 0.00 0.00 177.43 175.94 3gnq h ASP 168 N 0.00 0.59 0.00 1.15 3.32 -1.35 -3.17 116.42 116.97 3gnq h ASP 168 Ca -0.00 -0.52 -0.27 0.00 0.02 0.00 0.00 57.03 56.25 3gnq h ASP 168 Cb 0.46 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3gnq h ASP 168 CO 0.03 1.34 -2.02 0.29 -1.72 0.00 0.00 179.24 177.15 3gnq n LYS 169 N -3.71 1.53 -0.10 3.56 4.01 -1.12 -4.78 118.16 117.54 3gnq n LYS 169 Ca -0.09 -0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.53 3gnq n LYS 169 Cb 0.91 -1.38 -0.06 0.00 -0.51 0.00 0.00 35.03 33.99 3gnq n LYS 169 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3gnq n ILE 170 N -2.57 1.39 0.00 -0.18 5.41 -0.31 -5.10 119.36 118.00 3gnq n ILE 170 Ca -0.25 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.39 3gnq n ILE 170 Cb 0.98 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 1.59 2.86 3.06 7.39 0.00 -0.81 -4.36 105.19 114.92 3gnq n GLY 171 Ca -0.32 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 1.74 -0.06 0.99 0.20 -1.26 -2.22 118.68 118.07 3gnq s LEU 172 Ca 0.00 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.37 3gnq s LEU 172 Cb 0.00 -1.12 -0.00 0.00 -0.43 0.00 0.00 46.19 44.64 3gnq s LEU 172 CO 0.00 0.01 -0.00 -0.08 -0.29 0.00 0.00 176.35 175.99 3gnq h GLU 173 N 7.50 0.00 -4.19 1.98 4.57 -1.51 -3.48 114.58 119.45 3gnq h GLU 173 Ca -0.32 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 3gnq h GLU 173 Cb 1.17 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.62 3gnq h GLU 173 CO 0.50 0.00 -0.52 0.95 -1.18 0.00 0.00 179.01 178.76 3gnq s THR 174 N -1.35 0.10 0.01 0.32 -4.23 -1.26 -4.90 115.64 104.33 3gnq s THR 174 Ca -0.00 -1.68 -0.17 0.00 -1.18 0.00 0.00 61.69 58.66 3gnq s THR 174 Cb 0.00 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.97 3gnq s THR 174 CO 0.00 -0.45 0.37 -0.83 -0.54 0.00 0.00 174.62 173.17 3gnq s GLY 175 N -3.00 -0.21 -0.01 3.99 0.00 -0.38 -2.08 107.32 105.63 3gnq s GLY 175 Ca 0.19 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.26 3gnq s GLY 175 CO -0.00 0.11 -0.02 1.08 0.00 0.00 0.00 173.10 174.26 3gnq s LEU 176 N -1.63 1.81 -0.04 0.66 1.43 0.83 -2.08 118.68 119.66 3gnq s LEU 176 Ca -0.10 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3gnq s LEU 176 Cb -0.03 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 3gnq s LEU 176 CO 0.02 0.00 -0.24 -0.32 0.23 0.00 0.00 176.35 176.04 3gnq s MET 177 N 0.19 2.30 -0.08 1.70 -2.45 -0.14 -0.27 119.30 120.55 3gnq s MET 177 Ca -0.02 -0.88 0.04 0.00 -1.25 0.00 0.00 55.69 53.58 3gnq s MET 177 Cb -0.04 -2.13 0.00 0.00 1.25 0.00 0.00 34.83 33.91 3gnq s MET 177 CO -0.00 0.53 -0.21 0.99 1.05 0.00 0.00 175.02 177.37 3gnq s THR 178 N -0.52 1.82 -0.17 10.11 2.01 0.06 -2.46 115.64 126.49 3gnq s THR 178 Ca 0.07 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 3gnq s THR 178 Cb -0.11 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 3gnq s THR 178 CO 0.00 0.51 -0.09 0.28 -0.69 0.00 0.00 174.62 174.63 3gnq s THR 179 N 0.28 3.25 -0.48 -0.82 -1.32 -0.74 -0.33 115.64 115.48 3gnq s THR 179 Ca -0.14 -0.57 -0.17 0.00 -1.21 0.00 0.00 61.69 59.60 3gnq s THR 179 Cb -0.16 -2.42 0.06 0.00 -1.51 0.00 0.00 72.50 68.47 3gnq s THR 179 CO 0.06 0.48 0.49 -0.63 -2.21 0.00 0.00 174.62 172.82 3gnq s ILE 180 N 0.80 5.08 -0.07 5.08 1.01 -0.69 -0.37 121.20 132.05 3gnq s ILE 180 Ca -0.03 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.89 3gnq s ILE 180 Cb -0.15 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 3gnq s ILE 180 CO 0.01 -0.65 -0.20 -2.28 0.00 0.00 0.00 174.94 171.83 3gnq s HIS 181 N 2.08 2.58 0.76 3.97 2.46 0.43 -1.90 115.29 125.67 3gnq s HIS 181 Ca 0.09 -0.52 -0.15 0.00 0.47 0.00 0.00 55.06 54.95 3gnq s HIS 181 Cb -0.22 -1.65 0.02 0.00 -0.13 0.00 0.00 32.58 30.61 3gnq s HIS 181 CO 0.09 -0.08 0.91 0.00 -2.47 0.00 0.00 174.74 173.19 3gnq n ALA 182 N 2.82 -0.61 -1.36 1.58 0.00 -1.24 -0.94 120.51 120.77 3gnq n ALA 182 Ca -0.17 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 3gnq n ALA 182 Cb 0.52 -2.08 0.08 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.96 2.72 0.27 0.00 -0.85 -0.53 -4.72 117.35 112.28 3gnq s TYR 183 Ca 0.71 1.46 0.02 0.00 -0.52 0.00 0.00 57.07 58.74 3gnq s TYR 183 Cb -0.32 -3.02 -0.04 0.00 0.38 0.00 0.00 41.96 38.96 3gnq s TYR 183 CO 0.53 -1.70 0.15 0.95 -1.52 0.00 0.00 175.55 173.96 3gnq s THR 184 N -2.96 0.25 -1.06 -3.49 -4.23 -1.26 -4.75 115.64 98.12 3gnq s THR 184 Ca 0.60 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.36 3gnq s THR 184 Cb -0.16 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.39 3gnq s THR 184 CO 0.56 0.00 1.80 0.59 -0.54 0.00 0.00 174.62 177.03 3gnq n ASN 185 N -0.73 0.00 0.00 3.99 3.02 -1.26 -1.75 115.26 118.54 3gnq n ASN 185 Ca 0.02 0.41 0.06 0.00 -0.03 0.00 0.00 54.58 55.04 3gnq n ASN 185 Cb 0.65 -0.47 0.37 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.47 0.00 -4.25 6.41 5.68 -1.26 -4.84 116.55 116.82 3gnq n ASP 186 Ca 0.07 -1.09 -0.19 0.00 -0.50 0.00 0.00 54.79 53.08 3gnq n ASP 186 Cb 0.28 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.27 3gnq n ASP 186 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gnq n GLN 187 N -0.76 0.80 -4.32 0.11 6.02 -0.72 -5.00 117.38 113.51 3gnq n GLN 187 Ca 0.09 -2.60 -0.20 0.00 -0.01 0.00 0.00 57.00 54.28 3gnq n GLN 187 Cb 0.04 0.12 -0.11 0.00 1.02 0.00 0.00 30.24 31.31 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 -2.02 1.70 -0.04 5.09 -7.23 -1.26 -5.02 120.40 111.62 3gnq s VAL 188 Ca 0.33 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 3gnq s VAL 188 Cb -0.03 -1.83 -0.32 0.00 0.56 0.00 0.00 36.38 34.76 3gnq s VAL 188 CO 0.21 -0.41 0.77 -0.07 -0.31 0.00 0.00 175.10 175.29 3gnq h LEU 189 N 3.13 0.63 -8.07 1.32 3.38 -1.95 -0.98 115.31 112.77 3gnq h LEU 189 Ca -0.41 -0.92 -0.14 0.00 0.09 0.00 0.00 57.88 56.50 3gnq h LEU 189 Cb 1.21 -0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 3gnq h LEU 189 CO 0.54 1.69 -0.67 0.28 0.09 0.00 0.00 178.44 180.38 3gnq s THR 190 N -2.55 0.16 0.21 0.22 -1.32 -1.26 -4.47 115.64 106.62 3gnq s THR 190 Ca -0.14 -1.29 -0.32 0.00 -1.21 0.00 0.00 61.69 58.73 3gnq s THR 190 Cb 0.04 -0.85 -0.14 0.00 -1.51 0.00 0.00 72.50 70.04 3gnq s THR 190 CO 0.86 -0.71 1.32 0.47 -2.21 0.00 0.00 174.62 174.35 3gnq n ASP 191 N 0.89 2.21 -3.57 8.08 9.92 -1.26 -4.70 116.55 128.13 3gnq n ASP 191 Ca -0.19 1.14 -0.06 0.00 -0.53 0.00 0.00 54.79 55.15 3gnq n ASP 191 Cb 0.58 -1.34 -0.02 0.00 -0.64 0.00 0.00 41.12 39.69 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 -0.06 0.00 0.31 2.53 0.11 -0.45 -5.00 120.40 117.84 3gnq s VAL 192 Ca 0.71 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.48 3gnq s VAL 192 Cb -0.73 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 32.98 3gnq s VAL 192 CO 0.50 0.00 1.06 0.00 -3.33 0.00 0.00 175.10 173.33 3gnq n TYR 193 N -0.10 1.45 -3.51 1.54 9.36 -1.26 -4.50 117.16 120.13 3gnq n TYR 193 Ca -0.03 0.67 -0.15 0.00 3.32 0.00 0.00 57.90 61.71 3gnq n TYR 193 Cb 0.59 -2.28 -0.05 0.00 -0.63 0.00 0.00 39.34 36.97 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 -1.08 -0.58 0.42 2.98 5.65 -1.26 -4.92 115.29 116.50 3gnq s HIS 194 Ca 0.58 0.88 0.12 0.00 0.25 0.00 0.00 55.06 56.90 3gnq s HIS 194 Cb -0.67 0.45 0.91 0.00 -1.18 0.00 0.00 32.58 32.09 3gnq s HIS 194 CO 0.60 -0.61 1.96 1.05 -0.65 0.00 0.00 174.74 177.10 3gnq h GLU 195 N 2.72 0.10 -5.09 2.88 4.11 -1.97 -3.40 114.58 113.93 3gnq h GLU 195 Ca -0.27 -0.02 -0.64 0.00 0.07 0.00 0.00 59.36 58.51 3gnq h GLU 195 Cb 1.18 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 3gnq h GLU 195 CO 0.37 0.26 -0.27 0.34 0.07 0.00 0.00 179.01 179.78 3gnq s ASP 196 N -6.95 6.21 0.50 3.06 -1.08 -1.26 -4.99 116.67 112.17 3gnq s ASP 196 Ca -0.05 0.15 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 3gnq s ASP 196 Cb 0.16 -2.20 1.34 0.00 -1.46 0.00 0.00 42.92 40.75 3gnq s ASP 196 CO 0.71 -0.21 2.05 -0.07 0.52 0.00 0.00 175.17 178.18 3gnq h LEU 197 N 8.62 0.00 0.17 -1.34 4.07 -2.00 -0.36 115.31 124.47 3gnq h LEU 197 Ca -0.31 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.31 3gnq h LEU 197 Cb 1.16 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.91 3gnq h LEU 197 CO 0.65 0.14 -1.63 0.03 -1.08 0.00 0.00 178.44 176.54 3gnq h ARG 198 N 0.00 0.36 0.00 1.13 3.08 -1.94 -3.28 114.38 113.73 3gnq h ARG 198 Ca -0.00 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.44 3gnq h ARG 198 Cb 0.33 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3gnq h ARG 198 CO 0.02 1.25 0.00 0.54 -1.07 0.00 0.00 179.97 180.71 3gnq n ARG 199 N -3.55 0.14 0.00 0.04 1.74 -0.92 -1.92 116.66 112.18 3gnq n ARG 199 Ca -0.20 0.36 0.06 0.00 -0.77 0.00 0.00 57.85 57.30 3gnq n ARG 199 Cb 1.07 -1.76 0.32 0.00 -1.02 0.00 0.00 32.46 31.06 3gnq n ARG 199 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gnq n ALA 200 N -1.69 1.73 -2.80 7.54 0.00 -0.19 -4.06 120.51 121.03 3gnq n ALA 200 Ca 0.03 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 3gnq n ALA 200 Cb 0.22 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.64 3.11 -0.36 0.00 1.81 -0.81 -1.34 118.95 118.72 3gnq s ARG 201 Ca 0.11 -0.48 -0.42 0.00 -1.72 0.00 0.00 55.73 53.22 3gnq s ARG 201 Cb 0.09 -2.89 -0.17 0.00 -0.45 0.00 0.00 34.95 31.53 3gnq s ARG 201 CO 0.20 0.65 1.73 0.45 -0.68 0.00 0.00 175.30 177.65 3gnq n SER 202 N 1.09 1.98 0.21 0.23 2.88 -1.26 -4.56 113.62 114.20 3gnq n SER 202 Ca -0.12 1.08 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 3gnq n SER 202 Cb 0.53 -1.06 0.69 0.00 -0.75 0.00 0.00 64.21 63.62 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 6.74 1.00 0.00 -1.46 0.00 -1.39 -3.21 119.26 120.94 3gnq h ALA 203 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gnq h ALA 203 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3gnq h ALA 203 CO 0.97 0.00 -0.88 0.25 0.00 0.00 0.00 179.25 179.59 3gnq n THR 204 N -2.63 0.20 0.02 0.00 -2.24 -1.26 -3.81 114.28 104.56 3gnq n THR 204 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3gnq n THR 204 Cb 0.19 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.96 0.00 -3.97 4.78 -0.00 -1.21 -4.82 115.22 108.04 3gnq n HIS 205 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.66 3gnq n HIS 205 Cb 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.32 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 -0.15 0.26 -0.16 0.41 0.01 -1.24 -5.06 113.70 107.77 3gnq s SER 206 Ca 0.00 -0.66 -0.24 0.00 1.31 0.00 0.00 55.95 56.37 3gnq s SER 206 Cb 0.00 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 3gnq s SER 206 CO 0.01 -0.52 0.75 -1.10 0.41 0.00 0.00 173.24 172.78 3gnq s GLN 207 N -2.88 4.30 -0.23 12.44 -0.21 -1.26 -4.09 119.66 127.72 3gnq s GLN 207 Ca -0.03 0.87 0.02 0.00 0.02 0.00 0.00 55.36 56.24 3gnq s GLN 207 Cb 0.00 -3.55 0.05 0.00 1.00 0.00 0.00 33.01 30.51 3gnq s GLN 207 CO -0.06 -0.22 -0.10 0.42 -2.12 0.00 0.00 175.29 173.20 3gnq s ILE 208 N 1.81 1.83 0.24 1.08 1.01 0.18 -4.93 121.20 122.43 3gnq s ILE 208 Ca 0.35 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 3gnq s ILE 208 Cb -0.17 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 3gnq s ILE 208 CO 0.13 0.08 1.05 -2.84 0.00 0.00 0.00 174.94 173.35 3gnq s PRO 209 N 1.29 4.70 0.05 2.79 0.02 -1.26 0.11 135.00 142.69 3gnq s PRO 209 Ca -0.04 1.68 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 3gnq s PRO 209 Cb -0.18 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.11 3gnq s PRO 209 CO -0.07 0.28 0.24 0.95 -0.33 0.00 0.00 177.00 178.07 3gnq s THR 210 N -0.94 0.10 0.57 0.99 -4.23 -0.31 -4.84 115.64 106.99 3gnq s THR 210 Ca 0.44 -0.85 -0.19 0.00 -1.18 0.00 0.00 61.69 59.92 3gnq s THR 210 Cb -0.29 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 3gnq s THR 210 CO 0.37 -0.47 1.17 -0.54 -0.54 0.00 0.00 174.62 174.61 3gnq s LYS 211 N -2.78 3.13 -0.13 3.99 1.02 -1.26 -1.03 119.74 122.68 3gnq s LYS 211 Ca -0.03 1.72 -0.12 0.00 0.02 0.00 0.00 55.97 57.55 3gnq s LYS 211 Cb -0.00 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3gnq s LYS 211 CO -0.05 -1.05 0.36 -0.08 -0.92 0.00 0.00 175.35 173.61 3gnq s THR 212 N -1.69 -0.00 -2.30 2.17 -1.32 -1.26 -4.71 115.64 106.53 3gnq s THR 212 Ca 0.75 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.53 3gnq s THR 212 Cb -0.27 -0.50 0.63 0.00 -1.51 0.00 0.00 72.50 70.84 3gnq s THR 212 CO 0.31 0.00 1.87 0.61 -2.21 0.00 0.00 174.62 175.20 3gnq n GLY 213 N 2.93 -0.33 0.37 6.08 0.00 -1.26 -4.47 105.19 108.51 3gnq n GLY 213 Ca -0.13 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 4.20 1.92 0.32 4.61 0.00 -1.96 -1.49 119.26 126.85 3gnq h ALA 214 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gnq h ALA 214 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gnq h ALA 214 CO 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 179.25 178.97 3gnq h ALA 215 N 1.62 -0.42 -0.74 0.00 0.00 -1.88 -2.23 119.26 115.61 3gnq h ALA 215 Ca 0.40 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.27 3gnq h ALA 215 Cb 0.70 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 3gnq h ALA 215 CO -0.16 -0.55 0.25 0.00 0.00 0.00 0.00 179.25 178.80 3gnq h ALA 216 N -0.32 1.01 0.00 0.00 0.00 -1.57 -2.39 119.26 116.00 3gnq h ALA 216 Ca -0.04 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gnq h ALA 216 Cb 0.52 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gnq h ALA 216 CO 0.07 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.90 3gnq h ALA 217 N 1.57 1.70 0.00 0.00 0.00 -1.06 0.41 119.26 121.88 3gnq h ALA 217 Ca 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gnq h ALA 217 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gnq h ALA 217 CO -0.44 0.20 0.03 0.28 0.00 0.00 0.00 179.25 179.32 3gnq h VAL 218 N 0.00 0.00 -0.43 0.00 2.07 -0.86 0.28 116.25 117.32 3gnq h VAL 218 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 3gnq h VAL 218 Cb 0.29 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3gnq h VAL 218 CO 0.02 0.00 -0.24 1.23 0.02 0.00 0.00 177.57 178.60 3gnq h GLY 219 N 0.00 1.00 1.58 2.17 0.00 -0.28 -1.33 103.07 106.21 3gnq h GLY 219 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 47.33 46.36 3gnq h GLY 219 CO 0.00 0.83 0.02 1.41 0.00 0.00 0.00 176.54 178.80 3gnq h LEU 220 N 0.75 0.49 0.00 3.11 3.38 -0.50 -1.53 115.31 121.00 3gnq h LEU 220 Ca 0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3gnq h LEU 220 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3gnq h LEU 220 CO 0.07 0.55 -1.65 1.33 0.09 0.00 0.00 178.44 178.83 3gnq n VAL 221 N -4.29 0.51 -3.45 1.22 0.24 -1.05 -4.53 118.33 106.98 3gnq n VAL 221 Ca 0.02 -0.58 -0.26 0.00 -2.04 0.00 0.00 64.34 61.47 3gnq n VAL 221 Cb 0.23 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.25 3gnq n VAL 221 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gnq n LEU 222 N -2.53 1.37 -0.49 1.34 4.77 -0.50 -4.73 117.00 116.23 3gnq n LEU 222 Ca -0.07 -4.88 0.41 0.00 -0.03 0.00 0.00 56.01 51.45 3gnq n LEU 222 Cb 0.66 0.03 0.72 0.00 -2.33 0.00 0.00 43.42 42.51 3gnq n LEU 222 CO 0.43 1.94 1.34 -0.65 -1.33 0.00 0.00 177.39 179.13 3gnq h PRO 223 N 4.79 0.06 0.00 3.23 0.11 -1.51 0.36 132.00 139.04 3gnq h PRO 223 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3gnq h PRO 223 Cb 0.81 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gnq h PRO 223 CO 0.57 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 3gnq n GLU 224 N -4.30 0.12 -0.68 1.05 0.00 -1.26 -1.12 120.64 114.45 3gnq n GLU 224 Ca 0.35 0.55 -0.00 0.00 0.00 0.00 0.00 57.16 58.06 3gnq n GLU 224 Cb 1.53 -1.83 0.21 0.00 0.00 0.00 0.00 31.44 31.34 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 -2.07 3.84 -4.66 -1.84 4.77 0.13 -5.02 117.00 112.14 3gnq n LEU 225 Ca -0.00 -3.63 -0.42 0.00 -0.03 0.00 0.00 56.01 51.93 3gnq n LEU 225 Cb 0.07 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 3gnq n LEU 225 CO 0.10 1.15 1.57 0.21 -1.33 0.00 0.00 177.39 179.09 3gnq s ASN 226 N -2.54 6.46 0.00 -1.43 2.47 -0.27 -3.03 114.94 116.60 3gnq s ASN 226 Ca 0.43 2.58 0.00 0.00 0.42 0.00 0.00 52.86 56.29 3gnq s ASN 226 Cb 0.38 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 3gnq s ASN 226 CO 0.01 -1.06 0.00 0.61 -3.72 0.00 0.00 177.10 172.94 3gnq n GLY 227 N 4.51 0.56 0.01 1.21 0.00 -1.26 -4.90 105.19 105.31 3gnq n GLY 227 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.88 0.60 -5.04 1.61 5.02 -1.17 -4.96 118.16 111.34 3gnq n LYS 228 Ca 0.00 -0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 55.82 3gnq n LYS 228 Cb 0.00 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 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 -4.22 2.31 0.19 -0.35 1.43 -1.26 -1.25 118.68 115.54 3gnq s LEU 229 Ca -0.06 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3gnq s LEU 229 Cb 0.12 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3gnq s LEU 229 CO 0.80 0.31 0.23 -0.62 0.23 0.00 0.00 176.35 177.29 3gnq s ASP 230 N -0.88 0.10 0.00 2.29 -1.08 -0.89 -3.70 116.67 112.51 3gnq s ASP 230 Ca 0.11 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 3gnq s ASP 230 Cb -0.10 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 3gnq s ASP 230 CO 0.01 -0.90 0.00 0.61 0.52 0.00 0.00 175.17 175.40 3gnq n GLY 231 N -0.26 -1.65 3.81 2.66 0.00 -1.26 -0.97 105.19 107.52 3gnq n GLY 231 Ca -0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 3gnq n GLY 231 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gnq s TYR 232 N -2.59 0.13 0.22 1.61 -0.85 -1.03 -4.44 117.35 110.40 3gnq s TYR 232 Ca 0.00 -0.80 0.11 0.00 -0.52 0.00 0.00 57.07 55.86 3gnq s TYR 232 Cb 0.00 0.84 -0.05 0.00 0.38 0.00 0.00 41.96 43.13 3gnq s TYR 232 CO 0.00 -1.53 -0.19 0.00 -1.52 0.00 0.00 175.55 172.31 3gnq s ALA 233 N -2.18 2.69 -0.18 9.51 0.00 -0.20 -1.78 121.76 129.62 3gnq s ALA 233 Ca 0.16 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.45 3gnq s ALA 233 Cb -0.05 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.71 3gnq s ALA 233 CO 0.11 0.39 -0.07 0.42 0.00 0.00 0.00 175.76 176.61 3gnq s ILE 234 N -1.93 1.30 -0.03 0.00 1.01 0.50 -1.16 121.20 120.89 3gnq s ILE 234 Ca 0.24 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 3gnq s ILE 234 Cb -0.07 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3gnq s ILE 234 CO 0.13 0.15 0.88 -0.13 0.00 0.00 0.00 174.94 175.97 3gnq s ARG 235 N 1.55 4.51 0.27 2.79 1.81 0.12 -0.43 118.95 129.56 3gnq s ARG 235 Ca 0.00 1.23 0.11 0.00 -1.72 0.00 0.00 55.73 55.35 3gnq s ARG 235 Cb -0.15 -3.46 -0.05 0.00 -0.45 0.00 0.00 34.95 30.83 3gnq s ARG 235 CO -0.08 -0.03 -0.18 0.14 -0.68 0.00 0.00 175.30 174.47 3gnq s VAL 236 N 1.02 2.30 -0.22 3.52 -7.23 -0.12 -0.64 120.40 119.03 3gnq s VAL 236 Ca 0.47 -2.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 3gnq s VAL 236 Cb -0.20 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3gnq s VAL 236 CO 0.24 -0.41 1.27 -2.65 -0.31 0.00 0.00 175.10 173.24 3gnq n PRO 237 N -0.60 0.50 -4.18 4.82 -0.02 -1.25 -3.18 135.00 131.09 3gnq n PRO 237 Ca -0.06 -0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 60.54 3gnq n PRO 237 Cb 0.61 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 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 4.64 0.98 -0.13 3.45 -4.23 -1.26 -5.02 115.64 114.06 3gnq s THR 238 Ca 0.10 -1.62 0.16 0.00 -1.18 0.00 0.00 61.69 59.15 3gnq s THR 238 Cb 0.03 -1.35 -0.06 0.00 1.34 0.00 0.00 72.50 72.46 3gnq s THR 238 CO -0.01 -0.52 1.08 -0.29 -0.54 0.00 0.00 174.62 174.34 3gnq h ILE 239 N 3.61 0.64 -2.66 2.99 2.10 -1.87 -1.39 117.51 120.93 3gnq h ILE 239 Ca -0.38 -2.07 -0.02 0.00 1.08 0.00 0.00 64.86 63.47 3gnq h ILE 239 Cb 1.19 2.18 -0.14 0.00 -1.09 0.00 0.00 36.82 38.95 3gnq h ILE 239 CO 0.52 0.37 0.22 0.21 -1.08 0.00 0.00 178.15 178.39 3gnq s ASN 240 N -6.04 -0.58 0.00 2.19 2.47 -1.26 -4.72 114.94 106.99 3gnq s ASN 240 Ca -0.00 0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.49 3gnq s ASN 240 Cb 0.08 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.45 3gnq s ASN 240 CO 0.79 -0.84 0.00 0.52 -3.72 0.00 0.00 177.10 173.84 3gnq n VAL 241 N 0.02 -0.42 -4.22 -5.21 0.31 -1.26 -4.86 118.33 102.68 3gnq n VAL 241 Ca -0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 3gnq n VAL 241 Cb 0.62 -0.31 -0.10 0.00 -0.91 0.00 0.00 33.84 33.14 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 -0.53 0.53 0.01 4.52 0.01 0.66 -3.68 113.70 115.22 3gnq s SER 242 Ca 0.00 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.93 3gnq s SER 242 Cb 0.00 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 3gnq s SER 242 CO 0.00 -0.77 -0.02 -0.51 0.41 0.00 0.00 173.24 172.35 3gnq s ILE 243 N -3.99 0.12 -0.20 1.44 2.07 -0.80 -0.37 121.20 119.48 3gnq s ILE 243 Ca 0.35 -0.58 -0.06 0.00 -1.41 0.00 0.00 60.65 58.95 3gnq s ILE 243 Cb 0.07 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.42 3gnq s ILE 243 CO 0.10 -0.29 0.03 -0.69 -1.91 0.00 0.00 174.94 172.18 3gnq s VAL 244 N -0.89 4.30 -0.35 4.00 1.01 -0.23 -1.70 120.40 126.54 3gnq s VAL 244 Ca -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 3gnq s VAL 244 Cb -0.06 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.44 3gnq s VAL 244 CO -0.01 0.43 0.11 -0.62 0.00 0.00 0.00 175.10 175.02 3gnq s ASP 245 N 0.81 5.16 -0.13 3.32 -1.08 0.55 -1.68 116.67 123.62 3gnq s ASP 245 Ca 0.02 -1.52 -0.02 0.00 -0.52 0.00 0.00 52.55 50.51 3gnq s ASP 245 Cb -0.14 -1.81 -0.03 0.00 -1.46 0.00 0.00 42.92 39.49 3gnq s ASP 245 CO 0.02 -0.39 -0.05 -0.22 0.52 0.00 0.00 175.17 175.05 3gnq s LEU 246 N 1.26 3.19 -0.11 -1.34 2.96 -0.17 -0.76 118.68 123.70 3gnq s LEU 246 Ca 0.01 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3gnq s LEU 246 Cb -0.21 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3gnq s LEU 246 CO -0.01 0.22 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.64 3gnq s SER 247 N 0.03 3.73 0.05 3.68 0.01 0.63 -1.33 113.70 120.49 3gnq s SER 247 Ca -0.00 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 3gnq s SER 247 Cb -0.14 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.62 3gnq s SER 247 CO 0.03 0.18 0.24 0.72 0.41 0.00 0.00 173.24 174.81 3gnq s PHE 248 N 0.26 0.00 -0.36 2.43 -0.12 0.01 -0.12 117.98 120.08 3gnq s PHE 248 Ca -0.12 -0.22 -0.25 0.00 -0.05 0.00 0.00 56.93 56.30 3gnq s PHE 248 Cb -0.16 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 3gnq s PHE 248 CO 0.06 -0.47 0.90 0.42 -0.05 0.00 0.00 175.22 176.08 3gnq s ILE 249 N -2.71 4.62 0.50 -4.49 1.01 -0.88 -0.18 121.20 119.06 3gnq s ILE 249 Ca -0.04 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 3gnq s ILE 249 Cb -0.00 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 3gnq s ILE 249 CO -0.05 -0.49 1.04 0.00 0.00 0.00 0.00 174.94 175.44 3gnq s ALA 250 N 3.38 2.86 -1.14 9.38 0.00 0.18 -1.32 121.76 135.11 3gnq s ALA 250 Ca 0.37 0.58 0.25 0.00 0.00 0.00 0.00 51.96 53.16 3gnq s ALA 250 Cb -0.12 -3.25 0.49 0.00 0.00 0.00 0.00 23.12 20.24 3gnq s ALA 250 CO 0.18 -0.35 1.40 1.63 0.00 0.00 0.00 175.76 178.61 3gnq n LYS 251 N -1.07 0.15 -4.01 0.00 5.02 -0.94 -4.80 118.16 112.51 3gnq n LYS 251 Ca 0.09 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3gnq n LYS 251 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.91 1.72 0.27 1.97 1.70 -1.26 -5.05 118.95 115.38 3gnq s ARG 252 Ca 0.13 -1.43 -0.29 0.00 -0.47 0.00 0.00 55.73 53.67 3gnq s ARG 252 Cb 0.18 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.94 3gnq s ARG 252 CO 0.68 -0.72 1.16 -0.51 -1.08 0.00 0.00 175.30 174.83 3gnq s ASP 253 N -3.09 7.13 0.23 -2.89 1.01 -1.26 -4.94 116.67 112.86 3gnq s ASP 253 Ca 0.25 2.35 -0.05 0.00 0.71 0.00 0.00 52.55 55.81 3gnq s ASP 253 Cb -0.01 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 3gnq s ASP 253 CO 0.13 -0.27 0.28 0.28 0.21 0.00 0.00 175.17 175.80 3gnq s THR 254 N -0.95 0.00 0.30 -1.27 -1.32 -1.26 -5.15 115.64 105.99 3gnq s THR 254 Ca 0.47 -1.76 0.06 0.00 -1.21 0.00 0.00 61.69 59.25 3gnq s THR 254 Cb -0.34 -2.40 -0.06 0.00 -1.51 0.00 0.00 72.50 68.20 3gnq s THR 254 CO 0.43 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.23 3gnq s THR 255 N -4.04 1.54 0.20 5.08 -4.23 -1.26 -4.93 115.64 107.99 3gnq s THR 255 Ca 0.32 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 3gnq s THR 255 Cb 0.04 -2.57 0.12 0.00 1.34 0.00 0.00 72.50 71.42 3gnq s THR 255 CO 0.12 -0.21 1.73 0.00 -0.54 0.00 0.00 174.62 175.72 3gnq h ALA 256 N 2.21 0.93 -0.84 3.99 0.00 -1.95 -2.10 119.26 121.49 3gnq h ALA 256 Ca -0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 3gnq h ALA 256 Cb 1.24 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3gnq h ALA 256 CO 0.69 0.62 0.46 0.00 0.00 0.00 0.00 179.25 181.02 3gnq h ALA 257 N 1.10 1.08 0.07 0.00 0.00 -1.98 -1.20 119.26 118.32 3gnq h ALA 257 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gnq h ALA 257 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gnq h ALA 257 CO -0.00 0.59 -0.03 1.49 0.00 0.00 0.00 179.25 181.29 3gnq h GLU 258 N 1.17 -0.09 -0.39 0.00 4.81 -1.91 0.11 114.58 118.28 3gnq h GLU 258 Ca 0.30 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.61 3gnq h GLU 258 Cb 0.03 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 3gnq h GLU 258 CO -0.05 0.16 -0.08 0.28 -0.73 0.00 0.00 179.01 178.59 3gnq h VAL 259 N -0.34 0.63 -0.31 0.32 2.07 -1.23 0.19 116.25 117.59 3gnq h VAL 259 Ca -0.01 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3gnq h VAL 259 Cb 0.29 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3gnq h VAL 259 CO 0.02 0.00 0.17 0.78 0.02 0.00 0.00 177.57 178.56 3gnq h ASN 260 N 0.02 0.38 -0.86 0.57 2.35 -1.14 -2.44 115.58 114.46 3gnq h ASN 260 Ca 0.19 -0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3gnq h ASN 260 Cb 0.29 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 3gnq h ASN 260 CO -0.39 0.35 0.53 0.00 -1.65 0.00 0.00 177.43 176.28 3gnq h ALA 261 N 1.04 1.19 -0.24 -0.83 0.00 0.18 0.31 119.26 120.92 3gnq h ALA 261 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gnq h ALA 261 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3gnq h ALA 261 CO -0.02 0.26 0.12 0.82 0.00 0.00 0.00 179.25 180.43 3gnq h ILE 262 N 0.96 0.99 -0.51 0.00 2.04 -0.40 -1.87 117.51 118.72 3gnq h ILE 262 Ca 0.38 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 66.03 3gnq h ILE 262 Cb 0.20 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3gnq h ILE 262 CO -0.18 0.05 -0.17 0.24 0.00 0.00 0.00 178.15 178.08 3gnq h MET 263 N 0.25 1.01 -0.44 2.37 2.86 -0.92 -1.85 114.93 118.21 3gnq h MET 263 Ca 0.10 -0.41 0.04 0.00 -2.06 0.00 0.00 59.70 57.37 3gnq h MET 263 Cb 0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3gnq h MET 263 CO -0.07 1.09 0.22 -0.22 1.06 0.00 0.00 176.91 178.99 3gnq h LYS 264 N 0.87 0.42 -0.61 1.72 3.64 -0.85 -1.29 116.57 120.48 3gnq h LYS 264 Ca 0.12 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3gnq h LYS 264 Cb 0.75 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3gnq h LYS 264 CO 0.06 0.28 0.36 1.49 -2.27 0.00 0.00 179.45 179.37 3gnq h GLU 265 N 0.44 0.68 -0.54 1.90 4.81 -0.99 -2.29 114.58 118.58 3gnq h GLU 265 Ca 0.19 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3gnq h GLU 265 Cb 0.10 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3gnq h GLU 265 CO -0.14 0.45 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 3gnq h ALA 266 N 1.28 0.73 0.00 2.92 0.00 -0.94 -1.95 119.26 121.30 3gnq h ALA 266 Ca 0.25 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3gnq h ALA 266 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gnq h ALA 266 CO -0.12 0.55 -0.14 0.66 0.00 0.00 0.00 179.25 180.20 3gnq h SER 267 N 0.83 0.00 1.08 0.00 4.64 -1.08 -2.51 113.55 116.52 3gnq h SER 267 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3gnq h SER 267 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3gnq h SER 267 CO 0.03 0.14 -0.68 -0.08 -0.87 0.00 0.00 176.83 175.36 3gnq h GLU 268 N 0.00 0.00 0.00 4.77 4.81 -0.99 -3.19 114.58 119.98 3gnq h GLU 268 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gnq h GLU 268 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3gnq h GLU 268 CO 0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 3gnq n GLY 269 N 1.24 1.30 0.27 1.92 0.00 -0.77 -4.77 105.19 104.39 3gnq n GLY 269 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.33 1.83 -0.59 4.61 0.00 -1.82 -1.72 119.26 121.89 3gnq h ALA 270 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gnq h ALA 270 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gnq h ALA 270 CO 0.00 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3gnq n LEU 271 N -4.47 4.61 -4.61 0.00 4.77 -0.99 -5.00 117.00 111.32 3gnq n LEU 271 Ca -0.01 -2.48 -0.47 0.00 -0.03 0.00 0.00 56.01 53.01 3gnq n LEU 271 Cb 0.11 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 3gnq n LEU 271 CO 0.35 0.79 0.82 1.17 -1.33 0.00 0.00 177.39 179.19 3gnq n LYS 272 N 0.92 1.47 0.00 3.23 4.81 -0.65 -1.48 118.16 126.47 3gnq n LYS 272 Ca 0.25 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 3gnq n LYS 272 Cb 0.87 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.85 3gnq n LYS 272 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gnq n GLY 273 N 2.06 2.12 0.09 3.14 0.00 -1.26 -4.71 105.19 106.63 3gnq n GLY 273 Ca 0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 3gnq n GLY 273 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gnq h ILE 274 N 0.00 1.25 -3.24 -0.61 5.03 -1.64 -3.40 117.51 114.90 3gnq h ILE 274 Ca 0.00 -2.87 -0.50 0.00 -0.12 0.00 0.00 64.86 61.37 3gnq h ILE 274 Cb 0.00 2.60 -0.38 0.00 -3.03 0.00 0.00 36.82 36.01 3gnq h ILE 274 CO 0.00 0.71 -0.79 -0.22 -0.68 0.00 0.00 178.15 177.18 3gnq s LEU 275 N -6.46 1.06 0.65 1.44 2.96 -0.59 -0.98 118.68 116.76 3gnq s LEU 275 Ca 0.00 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3gnq s LEU 275 Cb 0.09 -0.70 0.12 0.00 0.50 0.00 0.00 46.19 46.19 3gnq s LEU 275 CO 0.80 -0.17 0.90 -0.83 -1.32 0.00 0.00 176.35 175.73 3gnq s GLY 276 N 1.80 1.72 -0.07 7.98 0.00 0.23 -4.51 107.32 114.47 3gnq s GLY 276 Ca 0.04 -2.06 -0.03 0.00 0.00 0.00 0.00 44.72 42.67 3gnq s GLY 276 CO -0.07 -1.52 0.15 -0.47 0.00 0.00 0.00 173.10 171.20 3gnq s TYR 277 N -2.90 -0.18 -0.05 1.90 5.04 -1.26 -2.39 117.35 117.52 3gnq s TYR 277 Ca 0.65 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.89 3gnq s TYR 277 Cb -0.05 -0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.09 3gnq s TYR 277 CO 0.42 -0.22 -0.24 1.21 -1.34 0.00 0.00 175.55 175.38 3gnq s ASN 278 N 1.68 2.96 -0.01 4.32 2.47 -0.06 -4.96 114.94 121.34 3gnq s ASN 278 Ca -0.04 -0.48 0.02 0.00 0.42 0.00 0.00 52.86 52.78 3gnq s ASN 278 Cb -0.12 -0.67 0.03 0.00 -1.45 0.00 0.00 41.25 39.04 3gnq s ASN 278 CO -0.06 0.26 0.80 -1.84 -3.72 0.00 0.00 177.10 172.54 3gnq n GLU 279 N 2.82 1.26 -3.31 0.43 0.28 -1.26 -1.02 120.64 119.85 3gnq n GLU 279 Ca -0.17 -1.12 -0.31 0.00 -0.16 0.00 0.00 57.16 55.40 3gnq n GLU 279 Cb 0.52 -0.78 -0.04 0.00 1.43 0.00 0.00 31.44 32.56 3gnq n GLU 279 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gnq s ALA 280 N -0.64 3.54 -1.16 -1.84 0.00 -1.26 -4.85 121.76 115.55 3gnq s ALA 280 Ca 0.03 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 3gnq s ALA 280 Cb 0.03 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.77 3gnq s ALA 280 CO 0.00 0.35 1.58 -1.25 0.00 0.00 0.00 175.76 176.44 3gnq s PRO 281 N -3.19 3.81 0.39 0.00 0.04 -1.26 -4.95 135.00 129.84 3gnq s PRO 281 Ca 0.47 -1.64 0.08 0.00 0.04 0.00 0.00 61.00 59.95 3gnq s PRO 281 Cb -0.11 -5.42 -0.04 0.00 0.04 0.00 0.00 34.50 28.97 3gnq s PRO 281 CO 0.25 -2.20 0.20 -0.51 0.04 0.00 0.00 177.00 174.78 3gnq s LEU 282 N 4.37 3.20 0.29 -3.56 1.43 -1.26 -5.15 118.68 118.00 3gnq s LEU 282 Ca 0.49 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3gnq s LEU 282 Cb 0.02 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 3gnq s LEU 282 CO -0.01 -0.48 0.04 0.68 0.23 0.00 0.00 176.35 176.82 3gnq s VAL 283 N -2.52 1.06 0.24 -1.59 -7.23 -1.26 -5.04 120.40 104.05 3gnq s VAL 283 Ca 0.41 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.49 3gnq s VAL 283 Cb 0.01 -2.63 0.25 0.00 0.56 0.00 0.00 36.38 34.56 3gnq s VAL 283 CO 0.23 -0.10 1.65 0.77 -0.31 0.00 0.00 175.10 177.34 3gnq h SER 284 N 2.27 -0.27 0.04 4.85 4.64 -1.98 -0.36 113.55 122.74 3gnq h SER 284 Ca -0.40 0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3gnq h SER 284 Cb 1.24 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3gnq h SER 284 CO 0.67 -0.14 -0.01 -0.29 -0.87 0.00 0.00 176.83 176.19 3gnq h ILE 285 N 0.13 0.39 0.00 0.95 -0.00 -1.96 0.22 117.51 117.25 3gnq h ILE 285 Ca 0.39 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 65.20 3gnq h ILE 285 Cb 0.67 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 38.52 3gnq h ILE 285 CO -0.60 0.01 0.00 0.47 -0.00 0.00 0.00 178.15 178.03 3gnq n ASP 286 N -3.63 0.55 -1.02 2.19 10.43 -0.14 -2.21 116.55 122.72 3gnq n ASP 286 Ca -0.03 0.65 0.12 0.00 2.57 0.00 0.00 54.79 58.10 3gnq n ASP 286 Cb 0.09 -0.76 0.14 0.00 1.84 0.00 0.00 41.12 42.43 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 -2.12 0.16 -1.75 1.24 3.72 0.07 -4.90 117.46 113.88 3gnq n PHE 287 Ca 0.02 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.92 3gnq n PHE 287 Cb 0.19 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.81 6.37 -1.22 4.37 2.47 -0.94 -1.65 114.94 122.53 3gnq s ASN 288 Ca 0.31 2.92 0.00 0.00 0.42 0.00 0.00 52.86 56.52 3gnq s ASN 288 Cb 0.21 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 3gnq s ASN 288 CO 0.30 -0.95 0.00 1.57 -3.72 0.00 0.00 177.10 174.31 3gnq n HIS 289 N 2.94 0.00 -3.06 0.43 -0.00 -1.26 -5.00 115.22 109.26 3gnq n HIS 289 Ca 0.11 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.88 3gnq n HIS 289 Cb 0.36 -2.27 -0.06 0.00 -0.12 0.00 0.00 29.99 27.91 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 -2.72 6.60 0.00 0.26 3.84 -0.66 -4.96 114.94 117.31 3gnq s ASN 290 Ca 0.00 0.69 0.26 0.00 0.21 0.00 0.00 52.86 54.02 3gnq s ASN 290 Cb 0.00 -2.36 1.23 0.00 -0.55 0.00 0.00 41.25 39.58 3gnq s ASN 290 CO 0.00 -0.44 1.86 -0.81 -2.79 0.00 0.00 177.10 174.92 3gnq n PRO 291 N 5.84 0.25 -1.54 0.43 -0.04 -1.26 -3.94 135.00 134.74 3gnq n PRO 291 Ca 0.01 0.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 3gnq n PRO 291 Cb 0.49 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 3gnq n PRO 291 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gnq n ALA 292 N -1.36 0.61 0.14 0.55 0.00 -1.26 -4.43 120.51 114.77 3gnq n ALA 292 Ca 0.10 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3gnq n ALA 292 Cb 0.24 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.46 3gnq n ALA 292 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gnq h SER 293 N 0.11 0.00 -2.53 0.00 0.02 -1.29 -3.38 113.55 106.48 3gnq h SER 293 Ca -0.49 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 3gnq h SER 293 Cb 1.33 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.66 3gnq h SER 293 CO 0.50 0.43 -0.07 -0.55 -1.14 0.00 0.00 176.83 176.00 3gnq s SER 294 N -6.37 -1.01 -0.43 3.07 0.15 -1.01 -3.59 113.70 104.50 3gnq s SER 294 Ca 0.04 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.23 3gnq s SER 294 Cb 0.07 1.79 0.12 0.00 -1.71 0.00 0.00 66.02 66.29 3gnq s SER 294 CO 0.74 -0.23 0.17 -0.89 1.20 0.00 0.00 173.24 174.23 3gnq s THR 295 N 2.24 2.64 0.19 6.45 2.01 -0.24 -0.60 115.64 128.34 3gnq s THR 295 Ca -0.08 -2.69 -0.33 0.00 0.31 0.00 0.00 61.69 58.90 3gnq s THR 295 Cb -0.09 -2.87 -0.14 0.00 0.01 0.00 0.00 72.50 69.41 3gnq s THR 295 CO -0.19 -0.70 1.37 0.33 -0.69 0.00 0.00 174.62 174.74 3gnq n PHE 296 N 3.85 1.89 -3.61 4.92 7.35 -1.01 -1.45 117.46 129.40 3gnq n PHE 296 Ca 0.04 0.49 -0.40 0.00 -0.76 0.00 0.00 57.45 56.82 3gnq n PHE 296 Cb 0.38 -2.41 -0.08 0.00 0.35 0.00 0.00 39.48 37.71 3gnq n PHE 296 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3gnq s ASP 297 N 0.36 5.63 0.44 -2.13 -1.08 0.42 -0.88 116.67 119.43 3gnq s ASP 297 Ca 0.74 -2.33 0.11 0.00 -0.52 0.00 0.00 52.55 50.55 3gnq s ASP 297 Cb -0.74 -1.96 0.99 0.00 -1.46 0.00 0.00 42.92 39.74 3gnq s ASP 297 CO 0.48 -0.55 2.04 0.00 0.52 0.00 0.00 175.17 177.65 3gnq h ALA 298 N 7.86 1.88 0.00 3.66 0.00 -1.37 -1.93 119.26 129.36 3gnq h ALA 298 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gnq h ALA 298 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3gnq h ALA 298 CO 0.78 0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.88 3gnq h THR 299 N 0.41 0.00 -0.43 0.00 1.35 -1.89 -2.39 112.91 109.96 3gnq h THR 299 Ca 0.18 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3gnq h THR 299 Cb 0.19 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3gnq h THR 299 CO -0.04 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.41 3gnq n LEU 300 N -2.49 3.30 -4.77 3.87 4.77 -0.72 -5.00 117.00 115.96 3gnq n LEU 300 Ca -0.01 -1.72 -0.38 0.00 -0.03 0.00 0.00 56.01 53.87 3gnq n LEU 300 Cb 0.12 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 3gnq n LEU 300 CO 0.16 0.77 0.75 -0.89 -1.33 0.00 0.00 177.39 176.85 3gnq s THR 301 N -1.16 3.68 -0.08 -5.08 2.01 -0.90 -4.73 115.64 109.37 3gnq s THR 301 Ca 0.35 1.50 -0.03 0.00 0.31 0.00 0.00 61.69 63.81 3gnq s THR 301 Cb 0.19 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.87 3gnq s THR 301 CO 0.26 0.22 0.17 -0.75 -0.69 0.00 0.00 174.62 173.82 3gnq s LYS 302 N -1.89 0.06 -0.06 4.92 2.47 -0.35 -5.01 119.74 119.88 3gnq s LYS 302 Ca 0.50 0.53 0.02 0.00 -1.56 0.00 0.00 55.97 55.47 3gnq s LYS 302 Cb -0.26 -0.23 0.01 0.00 -1.46 0.00 0.00 37.83 35.89 3gnq s LYS 302 CO 0.34 -0.27 -0.13 0.54 0.16 0.00 0.00 175.35 175.99 3gnq s VAL 303 N 2.03 1.17 -0.30 4.02 0.11 -1.26 0.14 120.40 126.31 3gnq s VAL 303 Ca -0.00 -0.51 -0.02 0.00 -2.93 0.00 0.00 61.98 58.52 3gnq s VAL 303 Cb -0.12 -1.06 0.10 0.00 -1.53 0.00 0.00 36.38 33.77 3gnq s VAL 303 CO -0.06 0.36 0.11 -0.94 -3.33 0.00 0.00 175.10 171.24 3gnq s SER 304 N 0.60 3.88 1.14 3.54 1.04 0.17 -4.90 113.70 119.17 3gnq s SER 304 Ca -0.14 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.76 3gnq s SER 304 Cb -0.15 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.25 3gnq s SER 304 CO 0.04 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3gnq n GLY 305 N 4.96 2.39 0.46 7.32 0.00 -1.26 -2.63 105.19 116.43 3gnq n GLY 305 Ca -0.03 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 10.23 1.14 -3.29 1.61 5.12 -1.26 -4.56 116.66 125.65 3gnq n ARG 306 Ca 0.00 -0.93 -0.39 0.00 -1.93 0.00 0.00 57.85 54.60 3gnq n ARG 306 Cb 0.00 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 29.74 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 -2.50 4.06 -0.01 0.55 2.96 -1.08 0.48 118.68 123.14 3gnq s LEU 307 Ca 0.19 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 3gnq s LEU 307 Cb 0.18 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3gnq s LEU 307 CO 0.58 -0.23 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.53 3gnq s VAL 308 N 2.13 3.03 -0.10 1.68 1.01 0.74 -0.65 120.40 128.24 3gnq s VAL 308 Ca 0.19 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3gnq s VAL 308 Cb -0.16 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.02 3gnq s VAL 308 CO 0.09 0.49 -0.08 -0.75 0.00 0.00 0.00 175.10 174.85 3gnq s LYS 309 N -1.04 1.47 0.07 2.72 2.20 0.38 -0.81 119.74 124.73 3gnq s LYS 309 Ca 0.13 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 3gnq s LYS 309 Cb -0.11 -1.49 -0.03 0.00 -1.51 0.00 0.00 37.83 34.69 3gnq s LYS 309 CO 0.03 -0.22 -0.11 0.14 -0.36 0.00 0.00 175.35 174.84 3gnq s VAL 310 N 1.53 0.85 0.01 4.02 -7.23 -0.44 -1.20 120.40 117.93 3gnq s VAL 310 Ca 0.01 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 3gnq s VAL 310 Cb -0.13 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 3gnq s VAL 310 CO -0.06 -0.39 -0.08 -0.44 -0.31 0.00 0.00 175.10 173.82 3gnq s SER 311 N -1.91 0.89 -0.03 4.85 0.01 -1.26 -1.00 113.70 115.25 3gnq s SER 311 Ca -0.02 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.97 3gnq s SER 311 Cb -0.08 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.12 3gnq s SER 311 CO 0.01 -0.00 -0.01 -0.55 0.41 0.00 0.00 173.24 173.09 3gnq s SER 312 N -0.65 0.51 0.28 2.44 0.15 -0.67 -0.44 113.70 115.31 3gnq s SER 312 Ca -0.01 -0.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 3gnq s SER 312 Cb -0.05 -0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 3gnq s SER 312 CO 0.00 -0.07 0.77 0.26 1.20 0.00 0.00 173.24 175.40 3gnq s TRP 313 N 0.86 3.56 -0.07 3.44 0.52 -0.53 -1.06 118.94 125.66 3gnq s TRP 313 Ca -0.09 1.41 -0.06 0.00 0.02 0.00 0.00 56.10 57.38 3gnq s TRP 313 Cb -0.12 -2.65 0.02 0.00 -1.15 0.00 0.00 33.47 29.56 3gnq s TRP 313 CO -0.01 0.22 0.17 1.52 0.02 0.00 0.00 176.95 178.88 3gnq s TYR 314 N -1.70 -0.19 -0.66 -1.98 -0.85 0.50 -1.07 117.35 111.39 3gnq s TYR 314 Ca 0.48 0.48 -0.27 0.00 -0.52 0.00 0.00 57.07 57.24 3gnq s TYR 314 Cb -0.15 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.26 3gnq s TYR 314 CO 0.20 -0.11 1.42 0.34 -1.52 0.00 0.00 175.55 175.88 3gnq s ASP 315 N 0.25 6.00 0.60 -0.18 3.68 -1.26 -0.25 116.67 125.51 3gnq s ASP 315 Ca -0.01 -0.09 0.32 0.00 2.13 0.00 0.00 52.55 54.89 3gnq s ASP 315 Cb -0.03 -2.55 1.90 0.00 -1.45 0.00 0.00 42.92 40.79 3gnq s ASP 315 CO -0.01 -1.89 2.27 -0.55 0.13 0.00 0.00 175.17 175.13 3gnq h ASN 316 N 11.17 0.00 0.00 -0.34 -1.07 -1.91 -1.24 115.58 122.19 3gnq h ASN 316 Ca -0.27 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.95 3gnq h ASN 316 Cb 1.08 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.31 3gnq h ASN 316 CO 1.24 0.00 -0.89 -0.33 0.07 0.00 0.00 177.43 177.51 3gnq h GLU 317 N 0.00 0.00 0.07 4.14 5.08 -1.96 -3.38 114.58 118.53 3gnq h GLU 317 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3gnq h GLU 317 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.28 3gnq h GLU 317 CO 0.00 0.82 -1.14 2.35 -1.00 0.00 0.00 179.01 180.03 3gnq h TRP 318 N -1.00 0.95 0.45 4.33 2.91 -1.84 -1.53 115.95 120.22 3gnq h TRP 318 Ca -0.23 -0.57 -0.02 0.00 1.13 0.00 0.00 58.89 59.20 3gnq h TRP 318 Cb 1.09 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.65 3gnq h TRP 318 CO 0.08 1.41 -0.21 0.78 -1.03 0.00 0.00 178.44 179.46 3gnq h GLY 319 N 0.51 -0.63 0.84 2.65 0.00 -1.35 -1.84 103.07 103.26 3gnq h GLY 319 Ca -0.15 0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3gnq h GLY 319 CO 0.22 -0.23 0.21 -2.75 0.00 0.00 0.00 176.54 173.99 3gnq h PHE 320 N -0.68 0.40 -0.44 5.60 3.57 -1.70 -1.74 116.94 121.94 3gnq h PHE 320 Ca -0.06 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.50 3gnq h PHE 320 Cb 0.50 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3gnq h PHE 320 CO -0.03 0.22 0.20 0.77 -2.23 0.00 0.00 178.31 177.24 3gnq h SER 321 N 0.43 0.27 -0.75 0.41 0.02 -1.25 0.30 113.55 112.97 3gnq h SER 321 Ca 0.16 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3gnq h SER 321 Cb 0.05 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3gnq h SER 321 CO -0.10 0.20 0.43 0.78 -1.14 0.00 0.00 176.83 177.00 3gnq h ASN 322 N 0.41 0.94 0.28 3.07 2.35 -1.01 -2.68 115.58 118.94 3gnq h ASN 322 Ca 0.20 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3gnq h ASN 322 Cb 0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3gnq h ASN 322 CO -0.16 0.74 -0.32 0.03 -1.65 0.00 0.00 177.43 176.07 3gnq h ARG 323 N 1.06 0.08 -0.63 0.81 2.47 -0.41 -2.61 114.38 115.15 3gnq h ARG 323 Ca 0.27 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 3gnq h ARG 323 Cb 0.00 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 3gnq h ARG 323 CO -0.05 0.40 0.37 0.52 0.56 0.00 0.00 179.97 181.78 3gnq h MET 324 N 0.07 0.86 -0.05 0.04 2.86 -0.61 0.08 114.93 118.17 3gnq h MET 324 Ca 0.01 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3gnq h MET 324 Cb 0.61 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3gnq h MET 324 CO 0.04 0.61 -0.03 -0.07 1.06 0.00 0.00 176.91 178.52 3gnq h LEU 325 N 0.87 0.12 -0.74 1.22 3.38 -1.46 -1.79 115.31 116.91 3gnq h LEU 325 Ca 0.23 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3gnq h LEU 325 Cb -0.02 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3gnq h LEU 325 CO -0.04 0.52 0.43 0.44 0.09 0.00 0.00 178.44 179.88 3gnq h ASP 326 N -0.28 0.66 0.02 -0.43 3.32 -1.20 -2.27 116.42 116.25 3gnq h ASP 326 Ca 0.01 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 3gnq h ASP 326 Cb 0.48 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3gnq h ASP 326 CO 0.01 0.42 -0.52 0.74 -1.72 0.00 0.00 179.24 178.17 3gnq h THR 327 N 0.79 1.32 -0.17 0.35 2.02 -0.97 -2.00 112.91 114.26 3gnq h THR 327 Ca 0.33 -1.75 0.04 0.00 0.77 0.00 0.00 66.41 65.80 3gnq h THR 327 Cb 0.20 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 3gnq h THR 327 CO -0.18 0.54 -0.09 0.00 0.37 0.00 0.00 175.52 176.16 3gnq h ALA 328 N 1.01 0.06 -0.56 6.16 0.00 -0.93 0.23 119.26 125.22 3gnq h ALA 328 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gnq h ALA 328 Cb 1.05 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3gnq h ALA 328 CO 0.10 -0.52 0.36 0.82 0.00 0.00 0.00 179.25 180.01 3gnq h ILE 329 N -0.07 1.15 -0.11 0.00 1.08 -1.19 -1.97 117.51 116.39 3gnq h ILE 329 Ca 0.09 -0.28 -0.23 0.00 -0.39 0.00 0.00 64.86 64.05 3gnq h ILE 329 Cb 0.21 0.33 0.01 0.00 -3.07 0.00 0.00 36.82 34.31 3gnq h ILE 329 CO -0.21 0.14 -0.84 0.00 -0.69 0.00 0.00 178.15 176.55 3gnq h ALA 330 N 1.64 0.25 -0.08 1.87 0.00 -0.97 -3.08 119.26 118.89 3gnq h ALA 330 Ca 0.20 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gnq h ALA 330 Cb -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gnq h ALA 330 CO -0.04 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.17 3gnq h LEU 331 N 0.48 0.11 -0.07 0.00 5.85 0.06 -2.87 115.31 118.87 3gnq h LEU 331 Ca -0.07 -0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.30 3gnq h LEU 331 Cb 1.48 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.50 3gnq h LEU 331 CO 0.17 0.19 -0.87 0.00 -0.34 0.00 0.00 178.44 177.59 3gnq h ALA 332 N 0.92 0.20 -0.38 1.25 0.00 -1.51 -3.16 119.26 116.56 3gnq h ALA 332 Ca 0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 3gnq h ALA 332 Cb 0.11 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 3gnq h ALA 332 CO -0.00 0.63 0.20 0.09 0.00 0.00 0.00 179.25 180.17 3gnq n ASN 333 N -3.94 3.27 -4.65 0.00 3.02 -1.16 -4.89 115.26 106.91 3gnq n ASN 333 Ca -0.09 -2.62 -0.42 0.00 -0.03 0.00 0.00 54.58 51.42 3gnq n ASN 333 Cb 0.79 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.59 3.64 0.00 5.41 0.00 -1.08 -4.98 121.76 123.15 3gnq s ALA 334 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3gnq s ALA 334 Cb 0.21 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3gnq s ALA 334 CO 0.06 -0.90 0.00 1.63 0.00 0.00 0.00 175.76 176.55