#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmq s GLU 15 N 0.00 2.46 -0.05 1.64 2.12 -1.26 -0.41 118.70 123.20 2gmq s GLU 15 Ca 0.00 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2gmq s GLU 15 Cb 0.00 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.21 2gmq s GLU 15 CO 0.00 0.46 -0.15 -1.50 -0.54 0.00 0.00 175.26 173.53 2gmq s ILE 16 N -0.34 1.29 0.06 -3.70 2.07 -0.37 -4.99 121.20 115.22 2gmq s ILE 16 Ca 0.02 -0.63 -0.20 0.00 -1.41 0.00 0.00 60.65 58.43 2gmq s ILE 16 Cb -0.12 -1.12 -0.06 0.00 0.13 0.00 0.00 42.46 41.28 2gmq s ILE 16 CO 0.02 0.38 0.59 0.00 -1.91 0.00 0.00 174.94 174.02 2gmq s ALA 17 N 0.18 3.56 -0.03 1.50 0.00 -1.26 -0.58 121.76 125.12 2gmq s ALA 17 Ca -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 2gmq s ALA 17 Cb -0.12 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.35 2gmq s ALA 17 CO 0.02 0.34 0.02 0.42 0.00 0.00 0.00 175.76 176.55 2gmq s ILE 18 N -0.88 0.10 0.32 0.00 1.01 -0.04 -4.89 121.20 116.81 2gmq s ILE 18 Ca 0.30 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.82 2gmq s ILE 18 Cb -0.19 -0.23 -0.11 0.00 0.01 0.00 0.00 42.46 41.94 2gmq s ILE 18 CO 0.19 0.14 1.49 0.00 0.00 0.00 0.00 174.94 176.76 2gmq s GLN 19 N 1.25 4.18 0.36 2.79 -2.07 -1.26 -2.06 119.66 122.85 2gmq s GLN 19 Ca -0.07 2.47 0.11 0.00 -1.82 0.00 0.00 55.36 56.06 2gmq s GLN 19 Cb -0.13 -3.03 0.89 0.00 -1.09 0.00 0.00 33.01 29.65 2gmq s GLN 19 CO -0.02 -0.49 1.84 1.49 -1.32 0.00 0.00 175.29 176.78 2gmq h GLU 20 N 4.05 0.60 0.00 9.60 4.22 -1.03 -1.02 114.58 131.00 2gmq h GLU 20 Ca -0.48 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2gmq h GLU 20 Cb 1.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2gmq h GLU 20 CO 0.72 0.39 0.00 0.36 -2.18 0.00 0.00 179.01 178.30 2gmq n LYS 21 N -4.60 0.03 -0.20 1.92 2.85 -1.26 -0.90 118.16 116.00 2gmq n LYS 21 Ca 0.20 0.25 0.09 0.00 -1.05 0.00 0.00 58.31 57.80 2gmq n LYS 21 Cb 0.58 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.72 2gmq n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2gmq n ASP 22 N -1.47 2.60 -4.29 -5.58 8.00 -0.38 -4.94 116.55 110.49 2gmq n ASP 22 Ca 0.04 -1.92 -0.28 0.00 0.71 0.00 0.00 54.79 53.33 2gmq n ASP 22 Cb 0.16 -0.26 -0.15 0.00 -0.02 0.00 0.00 41.12 40.85 2gmq n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gmq s LEU 23 N -1.24 2.13 -0.31 0.64 1.43 -0.08 -0.56 118.68 120.68 2gmq s LEU 23 Ca 0.34 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2gmq s LEU 23 Cb 0.19 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 2gmq s LEU 23 CO 0.26 0.23 0.15 -0.89 0.23 0.00 0.00 176.35 176.33 2gmq s THR 24 N -0.71 4.56 -0.13 5.49 2.01 0.22 -4.88 115.64 122.19 2gmq s THR 24 Ca 0.09 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 2gmq s THR 24 Cb -0.09 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2gmq s THR 24 CO 0.01 0.05 0.22 -0.76 -0.69 0.00 0.00 174.62 173.45 2gmq s LEU 25 N 1.60 4.32 -0.33 4.42 1.02 -1.26 -1.31 118.68 127.13 2gmq s LEU 25 Ca 0.04 0.49 -0.08 0.00 0.02 0.00 0.00 54.13 54.61 2gmq s LEU 25 Cb -0.17 -2.23 0.03 0.00 0.02 0.00 0.00 46.19 43.83 2gmq s LEU 25 CO 0.06 0.25 0.12 -1.58 0.02 0.00 0.00 176.35 175.23 2gmq s GLN 26 N -0.28 2.81 -0.21 1.70 0.74 -0.47 -5.04 119.66 118.91 2gmq s GLN 26 Ca 0.15 -1.06 -0.09 0.00 0.05 0.00 0.00 55.36 54.41 2gmq s GLN 26 Cb -0.13 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.44 2gmq s GLN 26 CO 0.04 -0.61 0.12 -1.58 -0.55 0.00 0.00 175.29 172.71 2gmq s TRP 27 N 1.47 3.32 0.03 1.67 0.52 -1.26 -0.58 118.94 124.10 2gmq s TRP 27 Ca 0.00 0.18 -0.32 0.00 0.02 0.00 0.00 56.10 55.99 2gmq s TRP 27 Cb -0.19 -2.18 -0.11 0.00 -1.15 0.00 0.00 33.47 29.85 2gmq s TRP 27 CO 0.04 0.14 1.88 2.89 0.02 0.00 0.00 176.95 181.92 2gmq n ARG 28 N 3.86 2.59 -1.01 4.98 1.85 0.08 -0.38 116.66 128.63 2gmq n ARG 28 Ca -0.16 0.95 -0.00 0.00 -1.00 0.00 0.00 57.85 57.64 2gmq n ARG 28 Cb 0.52 -2.84 -0.00 0.00 -1.05 0.00 0.00 32.46 29.09 2gmq n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2gmq n GLY 29 N 4.34 0.29 4.47 2.89 0.00 -1.26 -0.17 105.19 115.75 2gmq n GLY 29 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2gmq n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gmq n ASN 30 N -0.44 0.00 0.00 1.61 5.03 0.49 -4.56 115.26 117.40 2gmq n ASN 30 Ca -0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2gmq n ASN 30 Cb 0.23 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 2gmq n ASN 30 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2gmq n THR 31 N -1.57 0.00 0.00 3.41 -2.24 -1.19 -4.80 114.28 107.89 2gmq n THR 31 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2gmq n THR 31 Cb 0.00 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2gmq n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gmq n GLY 32 N 0.44 1.49 3.77 3.38 0.00 0.76 -3.39 105.19 111.63 2gmq n GLY 32 Ca 0.00 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 2gmq n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gmq s LYS 33 N 3.75 3.69 -0.33 1.61 2.20 -1.26 -1.52 119.74 127.89 2gmq s LYS 33 Ca 0.00 2.40 -0.29 0.00 -0.36 0.00 0.00 55.97 57.72 2gmq s LYS 33 Cb 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2gmq s LYS 33 CO 0.00 -0.81 1.35 -1.17 -0.36 0.00 0.00 175.35 174.37 2gmq s LEU 34 N -2.73 3.80 -0.16 5.43 2.96 0.60 -0.75 118.68 127.83 2gmq s LEU 34 Ca 0.61 1.12 -0.16 0.00 -0.22 0.00 0.00 54.13 55.48 2gmq s LEU 34 Cb -0.43 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.49 2gmq s LEU 34 CO 0.56 -1.19 0.33 0.58 -1.32 0.00 0.00 176.35 175.30 2gmq h VAL 35 N 6.12 0.86 -3.30 1.68 2.07 -1.18 -3.42 116.25 119.08 2gmq h VAL 35 Ca -0.27 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 64.95 2gmq h VAL 35 Cb 1.10 2.41 -0.11 0.00 -1.52 0.00 0.00 31.29 33.17 2gmq h VAL 35 CO 1.05 0.56 0.02 -1.59 0.02 0.00 0.00 177.57 177.62 2gmq s LYS 36 N -2.44 1.28 -0.00 1.57 -2.85 -1.20 -1.41 119.74 114.69 2gmq s LYS 36 Ca -0.25 -0.79 0.02 0.00 -1.00 0.00 0.00 55.97 53.95 2gmq s LYS 36 Cb 0.06 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.33 2gmq s LYS 36 CO 0.68 -0.54 -0.07 0.14 0.10 0.00 0.00 175.35 175.66 2gmq s VAL 37 N -3.84 0.53 -0.08 1.79 -7.23 -0.00 -1.37 120.40 110.19 2gmq s VAL 37 Ca 0.07 -0.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 2gmq s VAL 37 Cb -0.00 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.49 2gmq s VAL 37 CO -0.06 0.12 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.04 2gmq s ARG 38 N -0.22 2.57 0.26 4.82 3.52 -0.43 -1.01 118.95 128.46 2gmq s ARG 38 Ca 0.02 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 2gmq s ARG 38 Cb -0.03 -2.01 -0.10 0.00 -1.56 0.00 0.00 34.95 31.25 2gmq s ARG 38 CO -0.00 0.17 1.49 -0.51 -0.81 0.00 0.00 175.30 175.64 2gmq s LEU 39 N 0.34 4.37 0.74 -0.88 1.43 -0.58 -0.61 118.68 123.49 2gmq s LEU 39 Ca -0.15 2.75 -0.14 0.00 -1.03 0.00 0.00 54.13 55.56 2gmq s LEU 39 Cb -0.16 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.48 2gmq s LEU 39 CO 0.07 -0.77 1.16 -0.54 0.23 0.00 0.00 176.35 176.50 2gmq s LYS 40 N -0.37 2.16 0.11 1.70 1.02 0.28 -4.78 119.74 119.86 2gmq s LYS 40 Ca 0.61 1.58 -0.25 0.00 0.02 0.00 0.00 55.97 57.92 2gmq s LYS 40 Cb -0.44 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 34.94 2gmq s LYS 40 CO 0.44 -1.78 1.66 -0.97 -0.92 0.00 0.00 175.35 173.78 2gmq h ASN 41 N -0.51 -0.58 0.09 2.83 -1.24 -1.94 0.78 115.58 115.02 2gmq h ASN 41 Ca -0.46 0.07 0.01 0.00 0.71 0.00 0.00 56.30 56.63 2gmq h ASN 41 Cb 1.27 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.54 2gmq h ASN 41 CO 0.50 -0.28 -0.13 0.74 -1.29 0.00 0.00 177.43 176.97 2gmq h THR 42 N -0.36 0.70 -0.67 -3.57 2.02 -1.98 -2.63 112.91 106.43 2gmq h THR 42 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2gmq h THR 42 Cb 0.40 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2gmq h THR 42 CO -0.15 0.00 0.41 -0.09 0.37 0.00 0.00 175.52 176.06 2gmq h ARG 43 N -0.27 0.78 -0.40 6.66 9.65 -1.90 -0.68 114.38 128.22 2gmq h ARG 43 Ca 0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2gmq h ARG 43 Cb 0.28 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2gmq h ARG 43 CO -0.06 0.52 0.00 0.00 2.80 0.00 0.00 179.97 183.22 2gmq n ALA 44 N -2.31 0.87 -0.61 2.80 0.00 0.26 -4.58 120.51 116.94 2gmq n ALA 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2gmq n ALA 44 Cb 0.09 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2gmq n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2gmq n GLU 46 N 0.50 -0.80 0.00 0.00 2.13 -0.27 -4.69 120.64 117.51 2gmq n GLU 46 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gmq n GLU 46 Cb 0.00 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2gmq n GLU 46 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 2gmq n TRP 48 N -0.47 0.00 -0.26 4.31 -0.00 -1.26 -1.64 117.44 118.12 2gmq n TRP 48 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.45 2gmq n TRP 48 Cb 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.42 2gmq n TRP 48 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2gmq h TYR 49 N 0.00 0.91 0.00 5.87 0.05 -1.96 -3.04 116.97 118.80 2gmq h TYR 49 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2gmq h TYR 49 Cb 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.44 2gmq h TYR 49 CO 0.00 0.58 -0.29 0.09 -1.05 0.00 0.00 178.16 177.49 2gmq n ASN 50 N -4.58 0.43 -2.70 3.88 3.02 -0.65 -4.93 115.26 109.74 2gmq n ASN 50 Ca 0.06 0.19 -0.21 0.00 -0.03 0.00 0.00 54.58 54.59 2gmq n ASN 50 Cb 0.03 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 2gmq n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2gmq n LYS 51 N -1.74 -3.14 -0.06 3.52 4.76 -1.15 -4.92 118.16 115.43 2gmq n LYS 51 Ca 0.06 0.93 -0.12 0.00 -2.87 0.00 0.00 58.31 56.31 2gmq n LYS 51 Cb 0.37 -5.68 -0.06 0.00 -1.84 0.00 0.00 35.03 27.82 2gmq n LYS 51 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2gmq h GLN 52 N -0.62 0.34 -5.26 1.97 4.15 -1.89 -3.41 115.11 110.39 2gmq h GLN 52 Ca -0.50 -0.13 -0.50 0.00 0.77 0.00 0.00 58.65 58.28 2gmq h GLN 52 Cb 1.36 -0.02 -0.30 0.00 0.21 0.00 0.00 27.48 28.73 2gmq h GLN 52 CO 0.57 0.62 -0.82 0.42 -1.93 0.00 0.00 178.83 177.69 2gmq s ILE 53 N -4.71 1.17 0.09 2.39 1.01 -1.26 -5.06 121.20 114.83 2gmq s ILE 53 Ca -0.14 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2gmq s ILE 53 Cb 0.06 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2gmq s ILE 53 CO 0.74 0.34 -0.06 0.42 0.00 0.00 0.00 174.94 176.37 2gmq s THR 54 N -0.21 0.63 0.44 2.92 -4.23 -1.26 -4.60 115.64 109.32 2gmq s THR 54 Ca 0.03 -1.85 0.13 0.00 -1.18 0.00 0.00 61.69 58.83 2gmq s THR 54 Cb -0.07 -1.57 0.32 0.00 1.34 0.00 0.00 72.50 72.52 2gmq s THR 54 CO 0.00 -0.85 1.99 -0.08 -0.54 0.00 0.00 174.62 175.15 2gmq h GLU 55 N 3.12 0.40 -0.29 3.99 4.57 -2.00 -0.02 114.58 124.34 2gmq h GLU 55 Ca -0.35 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 57.70 2gmq h GLU 55 Cb 1.17 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2gmq h GLU 55 CO 0.63 0.26 -0.27 0.93 -1.18 0.00 0.00 179.01 179.38 2gmq h GLU 56 N 0.41 0.58 -0.01 1.92 3.07 -2.02 -3.34 114.58 115.18 2gmq h GLU 56 Ca 0.26 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2gmq h GLU 56 Cb 0.48 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2gmq h GLU 56 CO -0.07 0.80 -0.12 0.27 -1.40 0.00 0.00 179.01 178.49 2gmq n ASN 57 N -4.10 1.85 -0.27 1.42 0.23 -0.75 -4.71 115.26 108.92 2gmq n ASN 57 Ca -0.00 -1.42 -0.06 0.00 -0.53 0.00 0.00 54.58 52.56 2gmq n ASN 57 Cb 0.43 0.21 0.07 0.00 -2.08 0.00 0.00 39.78 38.41 2gmq n ASN 57 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2gmq h ILE 58 N 2.19 1.26 0.00 1.53 2.10 -1.15 -1.67 117.51 121.77 2gmq h ILE 58 Ca 0.00 -0.88 0.00 0.00 1.08 0.00 0.00 64.86 65.06 2gmq h ILE 58 Cb 0.53 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 2gmq h ILE 58 CO 0.00 0.35 0.00 0.00 -1.08 0.00 0.00 178.15 177.42 2gmq n GLN 59 N -4.26 0.42 0.24 2.19 6.02 -1.26 -2.31 117.38 118.42 2gmq n GLN 59 Ca 0.06 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 2gmq n GLN 59 Cb 0.22 -1.50 0.53 0.00 1.02 0.00 0.00 30.24 30.51 2gmq n GLN 59 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2gmq h GLU 60 N 0.00 0.00 -6.39 -1.09 5.08 -1.63 -3.45 114.58 107.10 2gmq h GLU 60 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2gmq h GLU 60 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2gmq h GLU 60 CO 0.00 0.13 0.58 0.42 -1.00 0.00 0.00 179.01 179.14 2gmq s ILE 61 N -3.64 4.33 -0.23 3.13 1.01 -0.98 -4.02 121.20 120.80 2gmq s ILE 61 Ca 0.01 1.66 0.09 0.00 0.00 0.00 0.00 60.65 62.42 2gmq s ILE 61 Cb 0.09 -4.07 -0.12 0.00 0.01 0.00 0.00 42.46 38.38 2gmq s ILE 61 CO 0.60 0.07 0.30 0.35 0.00 0.00 0.00 174.94 176.26 2gmq n THR 62 N 4.22 0.00 -3.78 2.92 -2.24 0.45 -4.50 114.28 111.35 2gmq n THR 62 Ca 0.09 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2gmq n THR 62 Cb 0.47 0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 2gmq n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gmq s THR 63 N -2.21 -0.02 -0.18 4.28 2.01 -0.99 -1.72 115.64 116.82 2gmq s THR 63 Ca 0.00 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 2gmq s THR 63 Cb 0.06 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 2gmq s THR 63 CO 0.37 0.03 0.01 -0.22 -0.69 0.00 0.00 174.62 174.13 2gmq s LEU 64 N 0.61 3.43 -0.49 4.42 2.96 0.37 -1.23 118.68 128.75 2gmq s LEU 64 Ca -0.04 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 2gmq s LEU 64 Cb -0.06 -1.86 0.10 0.00 0.50 0.00 0.00 46.19 44.88 2gmq s LEU 64 CO -0.03 0.13 0.40 0.21 -1.32 0.00 0.00 176.35 175.74 2gmq s ASN 65 N 0.63 6.01 -0.05 3.68 2.47 0.25 -0.02 114.94 127.90 2gmq s ASN 65 Ca 0.00 -1.63 -0.26 0.00 0.42 0.00 0.00 52.86 51.39 2gmq s ASN 65 Cb -0.14 -2.13 -0.03 0.00 -1.45 0.00 0.00 41.25 37.50 2gmq s ASN 65 CO 0.02 -0.72 0.80 -0.51 -3.72 0.00 0.00 177.10 172.98 2gmq s ILE 66 N 1.54 4.97 -0.08 -5.21 2.07 0.27 -0.86 121.20 123.91 2gmq s ILE 66 Ca 0.04 1.66 0.02 0.00 -1.41 0.00 0.00 60.65 60.96 2gmq s ILE 66 Cb -0.27 -4.14 -0.02 0.00 0.13 0.00 0.00 42.46 38.17 2gmq s ILE 66 CO 0.03 0.20 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.48 2gmq s ILE 67 N 0.99 2.90 -0.27 2.00 -1.09 -0.88 -1.08 121.20 123.77 2gmq s ILE 67 Ca 0.42 -0.75 -0.27 0.00 -2.23 0.00 0.00 60.65 57.83 2gmq s ILE 67 Cb -0.19 -2.16 0.17 0.00 -1.58 0.00 0.00 42.46 38.70 2gmq s ILE 67 CO 0.21 0.56 1.26 -0.75 -1.23 0.00 0.00 174.94 174.99 2gmq s LYS 68 N -0.19 0.25 -1.52 2.79 2.20 -0.29 -0.34 119.74 122.63 2gmq s LYS 68 Ca -0.00 0.20 -0.14 0.00 -0.36 0.00 0.00 55.97 55.67 2gmq s LYS 68 Cb -0.13 0.12 0.10 0.00 -1.51 0.00 0.00 37.83 36.40 2gmq s LYS 68 CO 0.03 -0.05 0.83 0.09 -0.36 0.00 0.00 175.35 175.89 2gmq n ASN 69 N 1.41 -4.40 -0.60 1.43 3.02 -1.26 -0.81 115.26 114.06 2gmq n ASN 69 Ca -0.09 -0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 53.66 2gmq n ASN 69 Cb 0.57 -3.55 -0.03 0.00 -0.61 0.00 0.00 39.78 36.16 2gmq n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gmq n GLY 70 N -1.52 0.84 3.58 7.41 0.00 -1.26 -5.00 105.19 109.24 2gmq n GLY 70 Ca 0.03 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2gmq n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gmq s LYS 71 N -2.43 1.91 -0.02 1.61 1.02 0.01 -5.16 119.74 116.68 2gmq s LYS 71 Ca 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 55.97 54.09 2gmq s LYS 71 Cb 0.00 -1.78 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 2gmq s LYS 71 CO 0.00 0.13 0.06 0.45 -0.92 0.00 0.00 175.35 175.07 2gmq s SER 72 N -3.65 -0.06 -0.13 2.83 0.15 -1.26 -1.14 113.70 110.44 2gmq s SER 72 Ca 0.33 0.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 2gmq s SER 72 Cb 0.02 0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 2gmq s SER 72 CO 0.18 -0.03 0.09 -0.22 1.20 0.00 0.00 173.24 174.46 2gmq s LEU 73 N 0.10 0.25 0.05 3.45 2.96 -0.24 -4.96 118.68 120.29 2gmq s LEU 73 Ca -0.01 -0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 53.27 2gmq s LEU 73 Cb -0.01 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.46 2gmq s LEU 73 CO -0.00 -0.31 0.90 0.00 -1.32 0.00 0.00 176.35 175.62 2gmq s ALA 74 N 2.16 3.25 -0.07 5.97 0.00 -1.26 -0.56 121.76 131.25 2gmq s ALA 74 Ca 0.03 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2gmq s ALA 74 Cb -0.15 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.78 2gmq s ALA 74 CO -0.07 -0.08 -0.08 -0.51 0.00 0.00 0.00 175.76 175.02 2gmq s LEU 75 N 0.36 1.42 0.46 0.00 1.43 0.97 -4.97 118.68 118.34 2gmq s LEU 75 Ca 0.46 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 53.10 2gmq s LEU 75 Cb -0.22 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 2gmq s LEU 75 CO 0.27 -0.03 1.14 -1.61 0.23 0.00 0.00 176.35 176.34 2gmq s GLU 76 N 0.98 3.80 0.38 1.70 0.41 -1.26 -0.48 118.70 124.22 2gmq s GLU 76 Ca -0.09 1.69 0.08 0.00 -0.41 0.00 0.00 54.97 56.24 2gmq s GLU 76 Cb -0.15 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 2gmq s GLU 76 CO 0.00 -0.50 0.19 0.14 -0.49 0.00 0.00 175.26 174.60 2gmq s VAL 77 N -1.61 2.69 -0.62 2.63 -7.23 -0.70 0.15 120.40 115.72 2gmq s VAL 77 Ca 0.63 -1.65 -0.20 0.00 -1.81 0.00 0.00 61.98 58.95 2gmq s VAL 77 Cb -0.26 -2.98 0.09 0.00 0.56 0.00 0.00 36.38 33.78 2gmq s VAL 77 CO 0.32 -0.09 0.81 -0.31 -0.31 0.00 0.00 175.10 175.52 2gmq s TYR 78 N -2.50 2.87 0.50 2.82 2.02 -0.09 -4.62 117.35 118.36 2gmq s TYR 78 Ca 0.40 -0.81 0.17 0.00 -0.37 0.00 0.00 57.07 56.47 2gmq s TYR 78 Cb -0.00 -4.13 1.24 0.00 -0.40 0.00 0.00 41.96 38.67 2gmq s TYR 78 CO 0.23 -1.44 2.08 -1.35 -1.57 0.00 0.00 175.55 173.51 2gmq h PRO 79 N 9.33 0.09 -0.00 -1.71 0.11 -1.88 -1.34 132.00 136.61 2gmq h PRO 79 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2gmq h PRO 79 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2gmq h PRO 79 CO 1.13 0.06 -0.00 0.39 -0.21 0.00 0.00 178.00 179.37 2gmq n GLU 80 N -4.48 0.59 -0.00 1.05 1.02 -1.26 -2.69 120.64 114.87 2gmq n GLU 80 Ca 0.02 -0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.26 2gmq n GLU 80 Cb 0.25 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 2gmq n GLU 80 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gmq n LYS 81 N -1.20 0.24 -1.86 3.49 5.02 -0.51 -4.97 118.16 118.37 2gmq n LYS 81 Ca 0.17 -0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2gmq n LYS 81 Cb 0.21 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 2gmq n LYS 81 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2gmq s SER 82 N -3.57 6.50 0.07 4.39 0.01 -1.10 -4.72 113.70 115.29 2gmq s SER 82 Ca 0.02 2.75 -0.12 0.00 1.31 0.00 0.00 55.95 59.91 2gmq s SER 82 Cb 0.15 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2gmq s SER 82 CO 0.88 -0.86 0.28 0.27 0.41 0.00 0.00 173.24 174.22 2gmq s ILE 83 N 0.76 0.10 0.01 1.44 -4.36 -0.75 -4.82 121.20 113.58 2gmq s ILE 83 Ca 0.68 -0.83 -0.18 0.00 -0.26 0.00 0.00 60.65 60.07 2gmq s ILE 83 Cb -0.46 -1.11 -0.06 0.00 1.25 0.00 0.00 42.46 42.09 2gmq s ILE 83 CO 0.36 -0.46 0.52 -0.31 0.24 0.00 0.00 174.94 175.30 2gmq s TYR 84 N -3.22 3.72 0.09 1.37 1.51 -1.26 -0.31 117.35 119.24 2gmq s TYR 84 Ca -0.00 1.13 0.10 0.00 -1.01 0.00 0.00 57.07 57.29 2gmq s TYR 84 Cb 0.01 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 2gmq s TYR 84 CO -0.08 0.49 -0.26 0.14 -1.11 0.00 0.00 175.55 174.74 2gmq s VAL 85 N -0.66 2.11 0.51 0.71 -7.23 -0.17 -4.89 120.40 110.79 2gmq s VAL 85 Ca 0.28 -1.55 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 2gmq s VAL 85 Cb -0.18 -1.85 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 2gmq s VAL 85 CO 0.16 0.20 1.00 -1.59 -0.31 0.00 0.00 175.10 174.56 2gmq s LYS 86 N -1.65 3.83 0.00 4.82 -2.85 -1.26 -0.54 119.74 122.09 2gmq s LYS 86 Ca 0.12 1.10 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 2gmq s LYS 86 Cb -0.10 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2gmq s LYS 86 CO 0.04 -0.38 0.00 -0.35 0.10 0.00 0.00 175.35 174.76 2gmq n PRO 87 N -1.44 0.00 0.00 1.78 -0.05 -1.26 -4.89 135.00 129.14 2gmq n PRO 87 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.53 2gmq n PRO 87 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.99 2gmq n PRO 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2gmq n GLY 90 N 4.73 -0.95 0.26 0.55 0.00 -1.26 -4.83 105.19 103.70 2gmq n GLY 90 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2gmq n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gmq n ARG 91 N -0.37 0.00 -4.43 1.61 3.00 -1.26 -5.10 116.66 110.12 2gmq n ARG 91 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.60 2gmq n ARG 91 Cb 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 32.46 31.52 2gmq n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2gmq s ILE 92 N -1.96 2.71 0.64 0.55 -1.09 -1.26 -5.13 121.20 115.66 2gmq s ILE 92 Ca 0.00 -2.27 -0.16 0.00 -2.23 0.00 0.00 60.65 55.99 2gmq s ILE 92 Cb 0.00 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 2gmq s ILE 92 CO 0.00 -0.38 1.12 0.20 -1.23 0.00 0.00 174.94 174.64 2gmq s ASN 93 N -3.56 5.19 0.01 3.58 0.01 -1.26 -4.49 114.94 114.42 2gmq s ASN 93 Ca 0.31 2.05 0.08 0.00 -0.71 0.00 0.00 52.86 54.59 2gmq s ASN 93 Cb -0.05 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2gmq s ASN 93 CO 0.16 -1.58 -0.25 0.68 -1.51 0.00 0.00 177.10 174.61 2gmq s VAL 94 N -2.21 1.98 0.39 1.60 -7.23 0.30 -4.88 120.40 110.34 2gmq s VAL 94 Ca 0.68 -1.19 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 2gmq s VAL 94 Cb -0.21 -1.67 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 2gmq s VAL 94 CO 0.39 0.45 1.21 -2.16 -0.31 0.00 0.00 175.10 174.67 2gmq s PRO 95 N -0.88 4.08 -0.02 4.82 0.04 -1.26 -0.99 135.00 140.78 2gmq s PRO 95 Ca 0.10 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2gmq s PRO 95 Cb -0.10 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.70 2gmq s PRO 95 CO 0.00 -0.33 -0.12 0.08 0.04 0.00 0.00 177.00 176.68 2gmq s VAL 96 N -1.35 0.96 -0.01 -0.36 1.01 0.57 -1.53 120.40 119.70 2gmq s VAL 96 Ca 0.56 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2gmq s VAL 96 Cb -0.33 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2gmq s VAL 96 CO 0.42 0.28 -0.24 -0.36 0.00 0.00 0.00 175.10 175.20 2gmq s PHE 97 N -0.02 2.18 -0.23 5.22 0.08 -0.18 -1.81 117.98 123.22 2gmq s PHE 97 Ca -0.00 -0.41 -0.09 0.00 0.12 0.00 0.00 56.93 56.55 2gmq s PHE 97 Cb -0.08 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2gmq s PHE 97 CO 0.00 -0.01 0.12 -0.06 -0.10 0.00 0.00 175.22 175.18 2gmq s PHE 98 N -0.62 3.26 -0.05 0.36 0.08 -1.26 -0.82 117.98 118.93 2gmq s PHE 98 Ca 0.10 0.09 -0.24 0.00 0.12 0.00 0.00 56.93 56.99 2gmq s PHE 98 Cb -0.09 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2gmq s PHE 98 CO -0.00 0.02 0.73 0.42 -0.10 0.00 0.00 175.22 176.29 2gmq s ILE 99 N 0.98 5.00 -0.23 0.64 -1.09 -0.50 -0.91 121.20 125.09 2gmq s ILE 99 Ca 0.06 1.52 -0.10 0.00 -2.23 0.00 0.00 60.65 59.90 2gmq s ILE 99 Cb -0.14 -4.07 -0.17 0.00 -1.58 0.00 0.00 42.46 36.50 2gmq s ILE 99 CO 0.03 0.25 -0.09 1.17 -1.23 0.00 0.00 174.94 175.08 2gmq n LYS 100 N 3.69 0.63 -1.72 2.79 4.81 0.12 -4.83 118.16 123.65 2gmq n LYS 100 Ca -0.01 0.30 -0.42 0.00 -0.87 0.00 0.00 58.31 57.31 2gmq n LYS 100 Cb 0.51 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 2gmq n LYS 100 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2gmq s THR 101 N -2.49 2.73 0.08 3.15 2.01 -0.85 -4.92 115.64 115.34 2gmq s THR 101 Ca -0.33 0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.44 2gmq s THR 101 Cb 0.10 -3.05 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 2gmq s THR 101 CO 0.59 -0.00 1.44 -2.84 -0.69 0.00 0.00 174.62 173.11 2gmq s PRO 102 N 3.28 4.29 -0.19 4.92 0.02 -1.26 -4.88 135.00 141.18 2gmq s PRO 102 Ca 0.83 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 63.80 2gmq s PRO 102 Cb -0.44 -3.38 0.06 0.00 0.02 0.00 0.00 34.50 30.75 2gmq s PRO 102 CO 0.38 -0.53 0.49 -1.50 -0.33 0.00 0.00 177.00 175.51 2gmq s ILE 103 N 1.68 -0.01 0.31 2.83 2.07 -1.26 -5.04 121.20 121.78 2gmq s ILE 103 Ca 0.66 0.03 0.07 0.00 -1.41 0.00 0.00 60.65 60.00 2gmq s ILE 103 Cb -0.36 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 2gmq s ILE 103 CO 0.29 0.01 0.24 0.20 -1.91 0.00 0.00 174.94 173.78 2gmq s ASN 104 N 0.78 5.29 0.31 4.50 -0.87 -1.26 -0.29 114.94 123.39 2gmq s ASN 104 Ca -0.04 -0.45 -0.01 0.00 -1.57 0.00 0.00 52.86 50.79 2gmq s ASN 104 Cb -0.05 -1.08 0.49 0.00 -0.02 0.00 0.00 41.25 40.58 2gmq s ASN 104 CO -0.06 -0.24 1.98 -0.09 -2.57 0.00 0.00 177.10 176.12 2gmq h ARG 105 N 1.37 1.03 -0.07 -0.60 2.43 -1.28 -1.84 114.38 115.42 2gmq h ARG 105 Ca -0.46 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2gmq h ARG 105 Cb 1.25 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2gmq h ARG 105 CO 0.60 0.68 0.03 0.78 -1.51 0.00 0.00 179.97 180.55 2gmq h GLY 106 N 1.06 0.11 1.36 2.80 0.00 -1.88 -0.35 103.07 106.17 2gmq h GLY 106 Ca 0.29 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.41 2gmq h GLY 106 CO -0.06 0.06 -0.41 -0.39 0.00 0.00 0.00 176.54 175.74 2gmq h VAL 107 N -0.05 1.29 -0.34 4.60 -1.51 -1.93 -0.08 116.25 118.23 2gmq h VAL 107 Ca 0.02 -1.58 0.05 0.00 -1.23 0.00 0.00 66.70 63.96 2gmq h VAL 107 Cb 0.17 1.50 -0.04 0.00 -2.13 0.00 0.00 31.29 30.79 2gmq h VAL 107 CO -0.00 0.51 0.08 0.15 -1.23 0.00 0.00 177.57 177.08 2gmq h PHE 108 N 0.58 0.14 -0.12 5.19 3.57 -1.11 0.95 116.94 126.14 2gmq h PHE 108 Ca 0.05 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 2gmq h PHE 108 Cb 0.95 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2gmq h PHE 108 CO 0.05 0.04 -0.39 0.93 -2.23 0.00 0.00 178.31 176.70 2gmq h GLU 109 N 0.21 0.27 0.37 1.11 5.08 -0.72 -1.67 114.58 119.22 2gmq h GLU 109 Ca 0.16 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2gmq h GLU 109 Cb 0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2gmq h GLU 109 CO -0.20 0.62 -0.22 0.93 -1.00 0.00 0.00 179.01 179.14 2gmq h GLU 110 N 0.23 -0.54 -0.25 2.33 4.39 -0.22 0.61 114.58 121.12 2gmq h GLU 110 Ca 0.02 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.82 2gmq h GLU 110 Cb 0.80 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.50 2gmq h GLU 110 CO 0.06 -0.36 -0.26 0.82 -1.16 0.00 0.00 179.01 178.11 2gmq h ILE 111 N -0.56 0.36 0.00 3.13 2.04 -0.53 -3.21 117.51 118.72 2gmq h ILE 111 Ca -0.04 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 2gmq h ILE 111 Cb 0.46 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2gmq h ILE 111 CO 0.05 0.00 -1.19 -0.26 0.00 0.00 0.00 178.15 176.74 2gmq h PHE 112 N -0.27 0.00 0.00 1.37 0.04 -1.23 -3.49 116.94 113.36 2gmq h PHE 112 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2gmq h PHE 112 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 2gmq h PHE 112 CO -0.42 0.63 0.00 0.41 -0.60 0.00 0.00 178.31 178.33