#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaw s LYS 4 N 0.00 0.44 0.79 1.20 -2.85 -1.26 -4.44 119.74 113.61 2gaw s LYS 4 Ca 0.00 -0.81 -0.11 0.00 -1.00 0.00 0.00 55.97 54.05 2gaw s LYS 4 Cb 0.00 0.06 0.07 0.00 -2.06 0.00 0.00 37.83 35.90 2gaw s LYS 4 CO 0.00 -0.05 1.10 -2.14 0.10 0.00 0.00 175.35 174.36 2gaw s PRO 5 N -2.19 2.10 -0.23 1.78 0.02 -1.26 -5.18 135.00 130.05 2gaw s PRO 5 Ca -0.08 1.23 -0.19 0.00 0.02 0.00 0.00 61.00 61.98 2gaw s PRO 5 Cb -0.05 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.66 2gaw s PRO 5 CO -0.03 -1.77 0.59 -1.50 -0.33 0.00 0.00 177.00 173.96 2gaw s ILE 6 N -2.84 -0.00 -0.01 2.83 2.07 -1.26 -5.09 121.20 116.89 2gaw s ILE 6 Ca 0.62 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.94 2gaw s ILE 6 Cb -0.18 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 2gaw s ILE 6 CO 0.56 0.00 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.69 2gaw s VAL 7 N 0.65 1.69 -0.02 4.00 1.01 -1.26 -5.15 120.40 121.32 2gaw s VAL 7 Ca -0.03 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2gaw s VAL 7 Cb -0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2gaw s VAL 7 CO -0.04 0.44 -0.15 -0.76 0.00 0.00 0.00 175.10 174.59 2gaw s LEU 8 N -0.60 1.99 0.11 3.92 1.43 -1.26 -5.07 118.68 119.19 2gaw s LEU 8 Ca 0.08 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2gaw s LEU 8 Cb -0.08 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2gaw s LEU 8 CO -0.00 0.17 -0.01 -0.94 0.23 0.00 0.00 176.35 175.80 2gaw s SER 9 N -0.24 0.75 0.41 2.29 1.04 -1.26 -5.10 113.70 111.59 2gaw s SER 9 Ca 0.03 -1.10 -0.23 0.00 0.48 0.00 0.00 55.95 55.14 2gaw s SER 9 Cb -0.07 0.18 -0.10 0.00 0.10 0.00 0.00 66.02 66.13 2gaw s SER 9 CO 0.00 -0.60 0.98 0.42 0.98 0.00 0.00 173.24 175.02 2gaw s THR 10 N -3.83 4.16 0.37 2.02 -4.23 -1.26 -4.79 115.64 108.08 2gaw s THR 10 Ca 0.17 1.49 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2gaw s THR 10 Cb 0.07 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2gaw s THR 10 CO -0.02 -0.15 0.00 0.79 -0.54 0.00 0.00 174.62 174.69 2gaw n TRP 11 N -0.33 -3.07 0.10 3.99 7.02 -1.26 -3.08 117.44 120.82 2gaw n TRP 11 Ca 0.06 1.59 0.04 0.00 -1.02 0.00 0.00 57.50 58.17 2gaw n TRP 11 Cb 0.52 -2.79 0.46 0.00 -2.42 0.00 0.00 31.31 27.08 2gaw n TRP 11 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2gaw h ASN 12 N -1.13 0.27 0.44 -0.99 4.21 -2.05 -1.23 115.58 115.10 2gaw h ASN 12 Ca -0.05 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2gaw h ASN 12 Cb 1.11 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2gaw h ASN 12 CO 0.03 0.28 0.00 2.22 -1.29 0.00 0.00 177.43 178.68 2gaw n PHE 13 N -4.41 0.31 0.28 1.19 1.16 -1.26 -2.16 117.46 112.57 2gaw n PHE 13 Ca 0.00 0.13 0.14 0.00 -1.87 0.00 0.00 57.45 55.85 2gaw n PHE 13 Cb 0.15 -0.71 0.81 0.00 -1.61 0.00 0.00 39.48 38.12 2gaw n PHE 13 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2gaw h GLY 14 N 1.80 0.00 0.84 4.97 0.00 -1.15 -2.59 103.07 106.95 2gaw h GLY 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2gaw h GLY 14 CO 0.00 0.00 0.04 1.41 0.00 0.00 0.00 176.54 177.99 2gaw h LEU 15 N 0.00 0.23 -0.46 3.11 3.38 -1.61 0.88 115.31 120.84 2gaw h LEU 15 Ca -0.00 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 2gaw h LEU 15 Cb 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2gaw h LEU 15 CO 0.01 0.39 -0.58 0.45 0.09 0.00 0.00 178.44 178.80 2gaw h HIS 16 N 0.06 0.75 -0.98 1.13 -0.00 -1.74 -2.71 115.15 111.66 2gaw h HIS 16 Ca 0.05 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2gaw h HIS 16 Cb 0.24 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.47 2gaw h HIS 16 CO 0.00 1.03 0.63 0.00 -0.00 0.00 0.00 177.93 179.59 2gaw h ALA 17 N 0.91 1.24 -0.14 2.45 0.00 -1.30 -2.60 119.26 119.82 2gaw h ALA 17 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2gaw h ALA 17 Cb 1.14 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2gaw h ALA 17 CO 0.11 0.66 0.01 -0.91 0.00 0.00 0.00 179.25 179.12 2gaw h ASN 18 N 1.34 0.18 -0.33 0.00 4.21 -0.51 -1.91 115.58 118.55 2gaw h ASN 18 Ca 0.36 -0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.78 2gaw h ASN 18 Cb -0.12 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 2gaw h ASN 18 CO -0.07 0.21 -0.05 0.58 -1.29 0.00 0.00 177.43 176.81 2gaw h VAL 19 N 0.20 1.27 -0.40 2.81 2.07 -1.23 -0.32 116.25 120.66 2gaw h VAL 19 Ca 0.05 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2gaw h VAL 19 Cb 0.13 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2gaw h VAL 19 CO 0.00 0.35 0.15 -0.33 0.02 0.00 0.00 177.57 177.77 2gaw h GLU 20 N 0.41 0.60 -0.99 1.57 4.39 -1.40 -2.28 114.58 116.88 2gaw h GLU 20 Ca 0.09 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.70 2gaw h GLU 20 Cb 0.53 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 2gaw h GLU 20 CO 0.03 0.57 0.65 0.00 -1.16 0.00 0.00 179.01 179.10 2gaw h ALA 21 N 1.00 1.28 0.00 3.43 0.00 -1.33 -2.35 119.26 121.29 2gaw h ALA 21 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2gaw h ALA 21 Cb 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2gaw h ALA 21 CO -0.01 0.61 -0.26 2.35 0.00 0.00 0.00 179.25 181.94 2gaw h TRP 22 N 1.31 0.00 -0.25 0.00 2.91 -0.77 -1.40 115.95 117.76 2gaw h TRP 22 Ca 0.37 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.40 2gaw h TRP 22 Cb -0.10 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 2gaw h TRP 22 CO -0.00 0.26 0.17 0.87 -1.03 0.00 0.00 178.44 178.70 2gaw h LYS 23 N 0.00 0.29 0.00 2.65 1.57 -0.84 0.70 116.57 120.94 2gaw h LYS 23 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2gaw h LYS 23 Cb 0.59 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2gaw h LYS 23 CO 0.03 0.19 -0.06 0.28 -0.57 0.00 0.00 179.45 179.32 2gaw h VAL 24 N 0.30 1.30 -0.94 0.50 2.07 -1.36 -3.36 116.25 114.77 2gaw h VAL 24 Ca 0.10 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.62 2gaw h VAL 24 Cb 0.02 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2gaw h VAL 24 CO -0.02 0.44 0.62 -0.07 0.02 0.00 0.00 177.57 178.56 2gaw h LEU 25 N -1.00 1.07 -1.84 2.57 3.38 -1.04 -1.51 115.31 116.95 2gaw h LEU 25 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2gaw h LEU 25 Cb 0.77 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2gaw h LEU 25 CO -0.01 0.78 -0.11 0.77 0.09 0.00 0.00 178.44 179.96 2gaw h SER 26 N 1.27 0.00 -0.44 -0.43 4.64 -1.05 -1.67 113.55 115.86 2gaw h SER 26 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2gaw h SER 26 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2gaw h SER 26 CO -0.07 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 2gaw n LYS 27 N -3.48 2.18 -2.07 4.77 5.02 -0.78 -4.89 118.16 118.91 2gaw n LYS 27 Ca -0.01 -1.64 -0.06 0.00 -2.02 0.00 0.00 58.31 54.57 2gaw n LYS 27 Cb 0.26 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2gaw n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gaw n GLY 28 N 1.12 0.15 3.88 0.72 0.00 -0.63 -5.04 105.19 105.39 2gaw n GLY 28 Ca 0.15 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 2gaw n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gaw s GLY 29 N -2.72 1.61 0.20 -0.02 0.00 -0.64 -5.03 107.32 100.73 2gaw s GLY 29 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 2gaw s GLY 29 CO 0.00 -0.02 1.11 0.54 0.00 0.00 0.00 173.10 174.73 2gaw s LYS 30 N -5.41 4.60 0.28 2.90 1.02 -1.26 -4.59 119.74 117.28 2gaw s LYS 30 Ca 0.60 1.75 0.02 0.00 0.02 0.00 0.00 55.97 58.36 2gaw s LYS 30 Cb -0.12 -3.25 0.59 0.00 -0.52 0.00 0.00 37.83 34.53 2gaw s LYS 30 CO 0.51 0.09 1.82 0.00 -0.92 0.00 0.00 175.35 176.85 2gaw h ALA 31 N 4.83 1.53 -0.52 5.17 0.00 -1.97 -1.13 119.26 127.18 2gaw h ALA 31 Ca -0.45 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.55 2gaw h ALA 31 Cb 1.21 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2gaw h ALA 31 CO 0.71 0.16 0.24 1.25 0.00 0.00 0.00 179.25 181.61 2gaw h LEU 32 N 0.93 0.32 -0.53 0.00 5.85 -1.94 -0.25 115.31 119.69 2gaw h LEU 32 Ca 0.51 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 59.11 2gaw h LEU 32 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2gaw h LEU 32 CO -0.29 0.22 -0.70 0.44 -0.34 0.00 0.00 178.44 177.77 2gaw h ASP 33 N 0.46 0.25 0.26 1.25 3.32 -1.63 -2.68 116.42 117.66 2gaw h ASP 33 Ca 0.24 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2gaw h ASP 33 Cb 0.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2gaw h ASP 33 CO -0.19 0.87 -0.12 0.00 -1.72 0.00 0.00 179.24 178.07 2gaw h ALA 34 N 1.13 -0.35 -0.18 3.45 0.00 -0.82 -0.60 119.26 121.90 2gaw h ALA 34 Ca -0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2gaw h ALA 34 Cb 1.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2gaw h ALA 34 CO 0.11 -0.61 -0.18 -0.39 0.00 0.00 0.00 179.25 178.17 2gaw h VAL 35 N -0.52 1.22 -0.04 0.00 -1.51 -1.10 0.30 116.25 114.59 2gaw h VAL 35 Ca -0.04 -0.99 -0.01 0.00 -1.23 0.00 0.00 66.70 64.43 2gaw h VAL 35 Cb 0.39 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2gaw h VAL 35 CO 0.06 0.31 -0.00 -0.08 -1.23 0.00 0.00 177.57 176.62 2gaw h GLU 36 N 0.28 0.08 -0.77 5.19 4.81 -1.41 -2.50 114.58 120.26 2gaw h GLU 36 Ca 0.05 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2gaw h GLU 36 Cb 0.49 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2gaw h GLU 36 CO 0.03 0.39 0.49 0.87 -0.73 0.00 0.00 179.01 180.07 2gaw h LYS 37 N -0.25 0.94 0.23 1.92 1.79 -0.84 -2.38 116.57 117.99 2gaw h LYS 37 Ca 0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2gaw h LYS 37 Cb 0.36 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2gaw h LYS 37 CO 0.00 0.62 -0.26 0.78 -1.08 0.00 0.00 179.45 179.52 2gaw h GLY 38 N 0.97 -0.56 1.99 3.86 0.00 -0.88 -3.15 103.07 105.30 2gaw h GLY 38 Ca 0.30 0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.78 2gaw h GLY 38 CO -0.10 -0.23 -0.67 -0.39 0.00 0.00 0.00 176.54 175.15 2gaw h VAL 39 N -0.53 1.48 -0.92 4.60 -1.51 -1.38 -3.10 116.25 114.88 2gaw h VAL 39 Ca -0.00 -2.29 0.17 0.00 -1.23 0.00 0.00 66.70 63.36 2gaw h VAL 39 Cb 0.50 2.23 -0.08 0.00 -2.13 0.00 0.00 31.29 31.82 2gaw h VAL 39 CO -0.07 0.65 0.59 0.03 -1.23 0.00 0.00 177.57 177.55 2gaw h ARG 40 N 0.01 0.60 -0.56 5.19 3.08 -1.39 0.02 114.38 121.33 2gaw h ARG 40 Ca -0.01 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.11 2gaw h ARG 40 Cb 1.19 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.02 2gaw h ARG 40 CO 0.09 0.40 0.13 1.25 -1.07 0.00 0.00 179.97 180.76 2gaw h LEU 41 N 0.62 0.03 -0.18 3.04 5.85 -1.52 0.97 115.31 124.12 2gaw h LEU 41 Ca 0.48 0.10 -0.22 0.00 0.84 0.00 0.00 57.88 59.09 2gaw h LEU 41 Cb 0.91 0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.07 2gaw h LEU 41 CO -0.23 0.03 -0.73 0.58 -0.34 0.00 0.00 178.44 177.75 2gaw h VAL 42 N 0.27 1.27 -0.47 1.05 2.07 -1.18 -2.02 116.25 117.25 2gaw h VAL 42 Ca 0.29 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2gaw h VAL 42 Cb 0.40 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2gaw h VAL 42 CO -0.36 0.61 0.24 -0.33 0.02 0.00 0.00 177.57 177.76 2gaw h GLU 43 N 0.57 0.64 0.00 1.57 5.08 -0.64 -2.40 114.58 119.40 2gaw h GLU 43 Ca -0.04 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 2gaw h GLU 43 Cb 1.36 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2gaw h GLU 43 CO 0.15 0.48 -0.53 -0.44 -1.00 0.00 0.00 179.01 177.67 2gaw h ASP 44 N 0.65 0.00 -3.08 1.42 3.32 -0.56 -0.27 116.42 117.90 2gaw h ASP 44 Ca 0.17 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.66 2gaw h ASP 44 Cb 0.04 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 2gaw h ASP 44 CO -0.03 0.53 1.03 -0.62 -1.72 0.00 0.00 179.24 178.44 2gaw s ASP 45 N -6.70 6.33 0.59 6.45 -1.08 -0.78 -4.82 116.67 116.65 2gaw s ASP 45 Ca -0.01 0.23 0.34 0.00 -0.52 0.00 0.00 52.55 52.59 2gaw s ASP 45 Cb 0.12 -2.55 1.82 0.00 -1.46 0.00 0.00 42.92 40.85 2gaw s ASP 45 CO 0.74 -1.56 2.02 1.55 0.52 0.00 0.00 175.17 178.44 2gaw h PRO 46 N 10.18 0.00 0.00 4.34 0.13 -1.85 -0.15 132.00 144.65 2gaw h PRO 46 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 2gaw h PRO 46 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2gaw h PRO 46 CO 1.18 0.00 -0.35 1.15 -0.23 0.00 0.00 178.00 179.75 2gaw h THR 47 N 0.00 0.80 -3.41 1.56 2.02 -1.91 -3.39 112.91 108.58 2gaw h THR 47 Ca 0.00 -1.48 -0.77 0.00 0.77 0.00 0.00 66.41 64.93 2gaw h THR 47 Cb 0.31 1.93 -0.24 0.00 -1.74 0.00 0.00 68.15 68.40 2gaw h THR 47 CO 0.00 0.34 -0.01 -0.70 0.37 0.00 0.00 175.52 175.52 2gaw s GLU 48 N -3.57 3.31 -0.00 6.66 -6.30 -0.07 -4.83 118.70 113.90 2gaw s GLU 48 Ca 0.00 -2.05 0.00 0.00 -2.50 0.00 0.00 54.97 50.43 2gaw s GLU 48 Cb 0.11 -4.38 0.01 0.00 0.00 0.00 0.00 34.13 29.86 2gaw s GLU 48 CO 0.68 -1.34 0.96 0.54 0.02 0.00 0.00 175.26 176.12 2gaw n ARG 49 N 4.75 1.02 0.00 4.30 1.74 -1.26 -2.32 116.66 124.89 2gaw n ARG 49 Ca 0.01 -0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 2gaw n ARG 49 Cb 0.44 -1.05 0.06 0.00 -1.02 0.00 0.00 32.46 30.89 2gaw n ARG 49 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2gaw n SER 50 N -0.43 2.16 -3.88 0.55 3.41 -1.26 -2.04 113.62 112.12 2gaw n SER 50 Ca 0.00 -1.58 -0.11 0.00 -0.26 0.00 0.00 58.87 56.92 2gaw n SER 50 Cb 0.03 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 2gaw n SER 50 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2gaw s VAL 51 N -1.17 0.03 0.00 -3.33 1.01 -0.98 -4.93 120.40 111.03 2gaw s VAL 51 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2gaw s VAL 51 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.37 2gaw s VAL 51 CO 0.18 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2gaw n GLY 52 N 2.64 3.16 3.72 4.51 0.00 -1.26 -3.93 105.19 114.03 2gaw n GLY 52 Ca -0.15 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2gaw n GLY 52 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gaw s TYR 53 N 0.00 3.30 0.00 1.61 5.04 -0.11 -1.93 117.35 125.26 2gaw s TYR 53 Ca 0.00 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 2gaw s TYR 53 Cb 0.00 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.72 2gaw s TYR 53 CO 0.00 -1.91 0.00 0.41 -1.34 0.00 0.00 175.55 172.71 2gaw n GLY 54 N 2.95 1.69 3.70 8.97 0.00 -0.88 -3.62 105.19 118.00 2gaw n GLY 54 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2gaw n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gaw n GLY 55 N -2.00 0.77 3.71 -0.02 0.00 -0.81 -4.33 105.19 102.50 2gaw n GLY 55 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 2gaw n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gaw s ARG 56 N -1.43 4.31 1.10 1.61 0.52 -0.86 -4.84 118.95 119.36 2gaw s ARG 56 Ca 0.59 2.04 -0.15 0.00 -0.52 0.00 0.00 55.73 57.69 2gaw s ARG 56 Cb -0.57 -3.33 0.24 0.00 0.52 0.00 0.00 34.95 31.80 2gaw s ARG 56 CO 0.58 -0.47 1.09 -1.25 0.02 0.00 0.00 175.30 175.27 2gaw s PRO 57 N 1.43 -0.37 1.16 3.54 0.04 -1.26 -4.84 135.00 134.69 2gaw s PRO 57 Ca 0.64 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2gaw s PRO 57 Cb -0.35 -1.66 0.28 0.00 0.04 0.00 0.00 34.50 32.80 2gaw s PRO 57 CO 0.29 -3.23 1.19 0.16 0.04 0.00 0.00 177.00 175.46 2gaw s ASP 58 N -3.51 1.33 0.61 6.66 1.47 0.42 -4.84 116.67 118.80 2gaw s ASP 58 Ca 0.68 0.41 0.40 0.00 1.18 0.00 0.00 52.55 55.21 2gaw s ASP 58 Cb -0.16 -0.51 1.98 0.00 -0.34 0.00 0.00 42.92 43.89 2gaw s ASP 58 CO 0.58 -3.85 2.20 0.08 0.68 0.00 0.00 175.17 174.85 2gaw h ARG 59 N -2.40 0.00 -0.67 2.11 0.11 -1.97 0.45 114.38 112.01 2gaw h ARG 59 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2gaw h ARG 59 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2gaw h ARG 59 CO 0.31 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.13 2gaw n ASP 60 N -3.04 3.71 0.00 0.08 8.00 -1.26 -4.94 116.55 119.11 2gaw n ASP 60 Ca -0.02 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.42 2gaw n ASP 60 Cb 0.16 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2gaw n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gaw n GLY 61 N 1.49 0.60 3.75 0.44 0.00 0.15 -5.04 105.19 106.58 2gaw n GLY 61 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2gaw n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gaw s ARG 62 N -0.17 4.35 -0.24 1.61 0.52 -1.26 -4.71 118.95 119.05 2gaw s ARG 62 Ca 0.00 0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 55.80 2gaw s ARG 62 Cb 0.00 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2gaw s ARG 62 CO 0.00 0.30 0.49 0.08 0.02 0.00 0.00 175.30 176.19 2gaw s VAL 63 N 0.02 5.10 -0.07 3.52 1.01 -1.26 -0.43 120.40 128.29 2gaw s VAL 63 Ca 0.32 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2gaw s VAL 63 Cb -0.18 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2gaw s VAL 63 CO 0.17 0.13 -0.04 -0.89 0.00 0.00 0.00 175.10 174.47 2gaw s THR 64 N 2.02 0.63 0.08 3.92 2.01 -1.26 -4.39 115.64 118.66 2gaw s THR 64 Ca 0.21 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2gaw s THR 64 Cb -0.15 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2gaw s THR 64 CO 0.09 0.28 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.44 2gaw s LEU 65 N 1.42 3.05 0.01 4.42 1.43 0.09 -4.79 118.68 124.30 2gaw s LEU 65 Ca -0.03 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2gaw s LEU 65 Cb -0.13 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2gaw s LEU 65 CO -0.03 0.20 -0.12 -1.81 0.23 0.00 0.00 176.35 174.82 2gaw s ASP 66 N -2.04 1.42 0.00 2.29 1.01 -1.26 -1.04 116.67 117.05 2gaw s ASP 66 Ca 0.20 -0.29 -0.28 0.00 0.71 0.00 0.00 52.55 52.90 2gaw s ASP 66 Cb -0.11 -0.13 0.09 0.00 1.01 0.00 0.00 42.92 43.77 2gaw s ASP 66 CO 0.12 0.10 0.75 0.00 0.21 0.00 0.00 175.17 176.35 2gaw s ALA 67 N -0.46 -1.76 0.08 5.23 0.00 -0.57 -4.96 121.76 119.31 2gaw s ALA 67 Ca 0.03 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 2gaw s ALA 67 Cb -0.06 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2gaw s ALA 67 CO 0.00 -0.53 0.33 0.00 0.00 0.00 0.00 175.76 175.55 2gaw s ILE 69 N -3.18 0.29 -0.17 0.00 2.07 -0.12 -4.98 121.20 115.11 2gaw s ILE 69 Ca -0.01 -1.08 -0.09 0.00 -1.41 0.00 0.00 60.65 58.06 2gaw s ILE 69 Cb 0.01 -0.53 0.06 0.00 0.13 0.00 0.00 42.46 42.13 2gaw s ILE 69 CO -0.07 -0.51 0.41 -0.32 -1.91 0.00 0.00 174.94 172.54 2gaw s MET 70 N -1.78 0.40 0.00 3.50 -2.45 -1.26 -1.47 119.30 116.24 2gaw s MET 70 Ca -0.11 0.80 0.00 0.00 -1.25 0.00 0.00 55.69 55.13 2gaw s MET 70 Cb -0.08 -0.02 0.00 0.00 1.25 0.00 0.00 34.83 35.98 2gaw s MET 70 CO -0.01 -0.16 0.00 -0.40 1.05 0.00 0.00 175.02 175.50 2gaw n ASP 71 N 4.27 0.00 0.00 1.11 5.68 -0.60 -5.00 116.55 122.02 2gaw n ASP 71 Ca -0.23 -0.43 0.14 0.00 -0.50 0.00 0.00 54.79 53.77 2gaw n ASP 71 Cb 0.55 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.29 2gaw n ASP 71 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2gaw n GLU 72 N -0.43 0.52 -2.66 0.11 0.00 -1.26 -3.88 120.64 113.04 2gaw n GLU 72 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 57.16 57.08 2gaw n GLU 72 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 29.97 2gaw n GLU 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2gaw n ASN 73 N -1.23 2.02 -1.49 -1.84 5.15 -1.26 -4.97 115.26 111.64 2gaw n ASN 73 Ca 0.16 -2.67 -0.19 0.00 -0.60 0.00 0.00 54.58 51.27 2gaw n ASN 73 Cb 0.20 -0.50 -0.08 0.00 -0.53 0.00 0.00 39.78 38.87 2gaw n ASN 73 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2gaw n TYR 74 N -0.30 0.00 -3.10 1.20 4.02 -1.25 -4.97 117.16 112.76 2gaw n TYR 74 Ca 0.14 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.63 2gaw n TYR 74 Cb 0.81 -3.31 -0.05 0.00 -0.02 0.00 0.00 39.34 36.76 2gaw n TYR 74 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2gaw s ASN 75 N -2.77 7.09 0.04 7.72 0.01 -1.26 -4.95 114.94 120.82 2gaw s ASN 75 Ca 0.00 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.45 2gaw s ASN 75 Cb 0.00 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2gaw s ASN 75 CO 0.00 0.06 -0.04 0.27 -1.51 0.00 0.00 177.10 175.88 2gaw s ILE 76 N -0.14 0.30 -0.14 0.60 -4.36 -1.26 -1.56 121.20 114.64 2gaw s ILE 76 Ca 0.35 -1.35 -0.14 0.00 -0.26 0.00 0.00 60.65 59.25 2gaw s ILE 76 Cb -0.19 -0.89 0.04 0.00 1.25 0.00 0.00 42.46 42.66 2gaw s ILE 76 CO 0.20 -0.68 0.39 -0.83 0.24 0.00 0.00 174.94 174.26 2gaw s GLY 77 N -2.13 -0.29 -0.00 6.27 0.00 -0.54 -4.11 107.32 106.52 2gaw s GLY 77 Ca -0.04 1.05 -0.09 0.00 0.00 0.00 0.00 44.72 45.65 2gaw s GLY 77 CO -0.04 0.90 0.17 -0.56 0.00 0.00 0.00 173.10 173.57 2gaw s SER 78 N 0.09 -0.02 0.04 1.64 0.01 -0.19 -0.95 113.70 114.32 2gaw s SER 78 Ca -0.01 -0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.17 2gaw s SER 78 Cb -0.03 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 2gaw s SER 78 CO 0.01 -0.37 -0.13 0.68 0.41 0.00 0.00 173.24 173.84 2gaw s VAL 79 N -1.29 1.06 -0.04 3.43 -7.23 -0.57 -1.86 120.40 113.89 2gaw s VAL 79 Ca -0.14 -0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 59.03 2gaw s VAL 79 Cb -0.07 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.92 2gaw s VAL 79 CO 0.02 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 174.95 2gaw s ALA 80 N -0.83 -0.34 -1.12 1.32 0.00 -1.02 -1.52 121.76 118.26 2gaw s ALA 80 Ca 0.01 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 2gaw s ALA 80 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2gaw s ALA 80 CO 0.01 -0.09 0.83 0.00 0.00 0.00 0.00 175.76 176.50 2gaw s MET 82 N -5.49 2.96 0.24 0.00 0.00 -0.21 -2.48 119.30 114.32 2gaw s MET 82 Ca 0.44 -0.51 0.07 0.00 0.00 0.00 0.00 55.69 55.70 2gaw s MET 82 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 34.83 31.98 2gaw s MET 82 CO 0.82 0.60 0.14 -1.21 0.00 0.00 0.00 175.02 175.37 2gaw s GLU 83 N -0.63 2.77 0.00 4.11 2.02 -1.26 -0.73 118.70 124.98 2gaw s GLU 83 Ca 0.10 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2gaw s GLU 83 Cb -0.12 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.63 2gaw s GLU 83 CO 0.02 0.41 0.00 0.72 0.02 0.00 0.00 175.26 176.43 2gaw n HIS 84 N -0.96 0.00 -3.81 1.61 8.25 -1.26 -4.80 115.22 114.25 2gaw n HIS 84 Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.02 2gaw n HIS 84 Cb 0.58 -0.51 -0.13 0.00 1.12 0.00 0.00 29.99 31.04 2gaw n HIS 84 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gaw s ILE 85 N -2.39 3.84 0.35 1.59 -1.09 -1.26 -0.34 121.20 121.90 2gaw s ILE 85 Ca 0.00 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.01 2gaw s ILE 85 Cb 0.00 -2.84 0.30 0.00 -1.58 0.00 0.00 42.46 38.34 2gaw s ILE 85 CO 0.00 0.28 1.92 0.50 -1.23 0.00 0.00 174.94 176.41 2gaw h LYS 86 N 8.19 0.74 -2.99 2.79 3.64 -1.92 -3.35 116.57 123.67 2gaw h LYS 86 Ca -0.37 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.30 2gaw h LYS 86 Cb 1.15 -0.17 -0.38 0.00 -0.41 0.00 0.00 32.23 32.43 2gaw h LYS 86 CO 0.59 0.49 -0.24 0.09 -2.27 0.00 0.00 179.45 178.11 2gaw n ASN 87 N -4.50 4.01 0.10 4.20 3.02 -1.26 -4.44 115.26 116.39 2gaw n ASN 87 Ca 0.13 -3.25 0.14 0.00 -0.03 0.00 0.00 54.58 51.57 2gaw n ASN 87 Cb 0.31 -0.92 0.64 0.00 -0.61 0.00 0.00 39.78 39.20 2gaw n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2gaw h PRO 88 N 5.40 0.06 -0.51 3.52 0.13 -1.96 -2.74 132.00 135.89 2gaw h PRO 88 Ca 0.17 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2gaw h PRO 88 Cb 0.75 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2gaw h PRO 88 CO 0.86 0.04 0.10 0.97 -0.23 0.00 0.00 178.00 179.74 2gaw h ILE 89 N 0.06 1.22 -0.05 -3.56 6.09 -1.92 0.08 117.51 119.43 2gaw h ILE 89 Ca 0.14 -0.82 -0.15 0.00 -1.37 0.00 0.00 64.86 62.66 2gaw h ILE 89 Cb 0.50 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 2gaw h ILE 89 CO -0.01 0.30 -0.64 0.28 -3.07 0.00 0.00 178.15 175.01 2gaw h SER 90 N 0.75 0.22 -0.36 2.19 0.02 -1.88 0.59 113.55 115.08 2gaw h SER 90 Ca 0.16 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 2gaw h SER 90 Cb 0.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2gaw h SER 90 CO 0.00 0.80 -0.35 0.58 -1.14 0.00 0.00 176.83 176.72 2gaw h VAL 91 N 0.14 1.27 -0.58 2.27 2.07 -1.34 0.01 116.25 120.08 2gaw h VAL 91 Ca -0.01 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 2gaw h VAL 91 Cb 1.16 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2gaw h VAL 91 CO 0.10 0.51 0.29 0.00 0.02 0.00 0.00 177.57 178.49 2gaw h ALA 92 N 0.84 0.75 -0.87 1.67 0.00 -0.80 0.24 119.26 121.09 2gaw h ALA 92 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gaw h ALA 92 Cb 0.93 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2gaw h ALA 92 CO 0.09 0.30 0.56 -0.09 0.00 0.00 0.00 179.25 180.11 2gaw h ARG 93 N 0.79 1.16 -0.31 0.00 2.43 -0.46 -1.50 114.38 116.49 2gaw h ARG 93 Ca 0.20 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2gaw h ARG 93 Cb 0.10 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2gaw h ARG 93 CO -0.03 0.79 -0.17 0.00 -1.51 0.00 0.00 179.97 179.05 2gaw h ALA 94 N 1.31 1.13 -0.38 2.80 0.00 -0.50 -0.48 119.26 123.13 2gaw h ALA 94 Ca 0.32 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2gaw h ALA 94 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2gaw h ALA 94 CO -0.07 0.55 0.17 0.28 0.00 0.00 0.00 179.25 180.18 2gaw h VAL 95 N 0.50 0.95 0.26 0.00 2.07 0.00 0.27 116.25 120.31 2gaw h VAL 95 Ca 0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2gaw h VAL 95 Cb 0.59 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2gaw h VAL 95 CO 0.04 0.07 -0.13 -0.03 0.02 0.00 0.00 177.57 177.54 2gaw h MET 96 N 0.36 -0.34 0.00 1.57 -1.53 -0.88 -2.11 114.93 112.01 2gaw h MET 96 Ca 0.17 0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.33 2gaw h MET 96 Cb 0.10 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.21 2gaw h MET 96 CO -0.13 -0.20 -0.87 0.93 0.14 0.00 0.00 176.91 176.78 2gaw h GLU 97 N -0.39 0.00 -0.00 0.39 5.08 -0.96 -3.40 114.58 115.30 2gaw h GLU 97 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2gaw h GLU 97 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2gaw h GLU 97 CO 0.06 0.40 -0.28 1.63 -1.00 0.00 0.00 179.01 179.83 2gaw n LYS 98 N -3.08 3.12 -4.50 2.33 4.01 0.93 -5.04 118.16 115.93 2gaw n LYS 98 Ca -0.02 -0.31 -0.24 0.00 -0.51 0.00 0.00 58.31 57.23 2gaw n LYS 98 Cb 0.77 -0.97 -0.10 0.00 -0.51 0.00 0.00 35.03 34.21 2gaw n LYS 98 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2gaw s THR 99 N -1.49 1.97 -1.59 -0.18 -4.23 -0.79 -5.00 115.64 104.33 2gaw s THR 99 Ca 0.05 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2gaw s THR 99 Cb 0.07 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2gaw s THR 99 CO 0.27 -0.22 0.74 -0.81 -0.54 0.00 0.00 174.62 174.06 2gaw n PRO 100 N -0.72 0.92 -4.63 3.99 -0.04 -1.26 -4.85 135.00 128.41 2gaw n PRO 100 Ca -0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 2gaw n PRO 100 Cb 0.64 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.82 2gaw n PRO 100 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2gaw s HIS 101 N -1.59 2.06 0.00 0.54 3.76 -1.26 -5.06 115.29 113.73 2gaw s HIS 101 Ca 0.00 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 2gaw s HIS 101 Cb 0.00 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.15 2gaw s HIS 101 CO 0.00 0.18 0.00 0.28 -0.85 0.00 0.00 174.74 174.35 2gaw n VAL 102 N -1.04 0.00 -3.68 -0.90 0.31 -1.26 -4.51 118.33 107.26 2gaw n VAL 102 Ca -0.10 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.08 2gaw n VAL 102 Cb 0.67 0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 34.02 2gaw n VAL 102 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2gaw s MET 103 N -1.73 0.46 -0.03 5.55 -2.45 -1.26 -1.02 119.30 118.82 2gaw s MET 103 Ca 0.00 0.93 0.06 0.00 -1.25 0.00 0.00 55.69 55.42 2gaw s MET 103 Cb 0.00 0.07 -0.01 0.00 1.25 0.00 0.00 34.83 36.14 2gaw s MET 103 CO 0.00 -0.17 -0.20 -0.51 1.05 0.00 0.00 175.02 175.19 2gaw s LEU 104 N 1.62 2.00 0.21 4.11 1.43 -0.78 -4.99 118.68 122.28 2gaw s LEU 104 Ca -0.09 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2gaw s LEU 104 Cb -0.08 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2gaw s LEU 104 CO -0.15 0.22 -0.12 0.68 0.23 0.00 0.00 176.35 177.21 2gaw s VAL 105 N -0.25 1.61 0.00 -1.59 -7.23 -1.26 -2.43 120.40 109.25 2gaw s VAL 105 Ca 0.02 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 2gaw s VAL 105 Cb -0.10 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2gaw s VAL 105 CO 0.01 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 2gaw n GLY 106 N -0.38 2.39 0.18 2.32 0.00 -0.44 -3.12 105.19 106.14 2gaw n GLY 106 Ca -0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 2gaw n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gaw h ASP 107 N 9.72 -0.30 -0.73 1.61 3.32 -1.93 -1.93 116.42 126.19 2gaw h ASP 107 Ca 0.00 0.12 0.16 0.00 0.02 0.00 0.00 57.03 57.32 2gaw h ASP 107 Cb 0.00 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2gaw h ASP 107 CO 0.00 -0.10 0.49 1.23 -1.72 0.00 0.00 179.24 179.14 2gaw h GLY 108 N 0.05 0.54 0.77 2.75 0.00 -1.97 0.21 103.07 105.42 2gaw h GLY 108 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 2gaw h GLY 108 CO -0.40 0.04 -0.13 0.00 0.00 0.00 0.00 176.54 176.05 2gaw h ALA 109 N 1.66 0.24 -0.06 3.60 0.00 -1.29 -1.30 119.26 122.10 2gaw h ALA 109 Ca 0.36 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gaw h ALA 109 Cb 0.94 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2gaw h ALA 109 CO -0.09 0.11 0.02 1.25 0.00 0.00 0.00 179.25 180.54 2gaw h LEU 110 N 0.04 0.07 -0.58 0.00 5.85 -0.99 -0.11 115.31 119.60 2gaw h LEU 110 Ca 0.03 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.73 2gaw h LEU 110 Cb 0.65 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 2gaw h LEU 110 CO 0.03 0.19 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.92 2gaw h GLU 111 N -0.05 0.05 -0.01 1.25 5.08 -0.63 0.05 114.58 120.32 2gaw h GLU 111 Ca 0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2gaw h GLU 111 Cb 0.14 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2gaw h GLU 111 CO -0.00 0.03 0.01 0.35 -1.00 0.00 0.00 179.01 178.40 2gaw h PHE 112 N 0.05 0.02 -0.47 4.33 3.57 -1.00 -1.43 116.94 122.01 2gaw h PHE 112 Ca 0.29 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.88 2gaw h PHE 112 Cb 0.45 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 2gaw h PHE 112 CO -0.42 0.12 -0.08 0.00 -2.23 0.00 0.00 178.31 175.70 2gaw h ALA 113 N 0.90 0.35 -0.59 2.41 0.00 0.20 0.44 119.26 122.97 2gaw h ALA 113 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2gaw h ALA 113 Cb 0.10 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2gaw h ALA 113 CO -0.00 -0.43 0.19 -0.07 0.00 0.00 0.00 179.25 178.94 2gaw h LEU 114 N 0.03 0.82 -1.10 0.00 3.38 -0.95 -0.91 115.31 116.58 2gaw h LEU 114 Ca 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gaw h LEU 114 Cb 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gaw h LEU 114 CO -0.45 0.76 0.00 0.77 0.09 0.00 0.00 178.44 179.61 2gaw h SER 115 N 0.86 0.00 -0.46 -0.43 4.64 0.18 -1.76 113.55 116.57 2gaw h SER 115 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2gaw h SER 115 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2gaw h SER 115 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2gaw n GLN 116 N -2.65 2.25 -0.36 4.77 1.13 -0.45 -4.93 117.38 117.14 2gaw n GLN 116 Ca 0.01 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.15 2gaw n GLN 116 Cb 0.26 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2gaw n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gaw n GLY 117 N 1.38 0.74 3.77 1.08 0.00 -0.66 -5.06 105.19 106.44 2gaw n GLY 117 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2gaw n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gaw s PHE 118 N -2.41 2.65 -0.07 1.61 0.40 -0.59 -4.99 117.98 114.58 2gaw s PHE 118 Ca 0.00 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 57.81 2gaw s PHE 118 Cb 0.00 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.22 2gaw s PHE 118 CO 0.00 -1.61 0.19 0.15 0.70 0.00 0.00 175.22 174.65 2gaw s LYS 119 N -3.44 3.50 -0.10 0.44 3.01 -1.26 -4.38 119.74 117.51 2gaw s LYS 119 Ca 0.72 -0.12 -0.22 0.00 -1.01 0.00 0.00 55.97 55.34 2gaw s LYS 119 Cb -0.23 -3.16 -0.03 0.00 -1.01 0.00 0.00 37.83 33.40 2gaw s LYS 119 CO 0.30 0.73 0.66 0.21 0.51 0.00 0.00 175.35 177.76 2gaw s LYS 120 N -1.33 4.37 0.21 1.68 2.20 -1.26 -4.55 119.74 121.06 2gaw s LYS 120 Ca 0.20 0.77 0.04 0.00 -0.36 0.00 0.00 55.97 56.62 2gaw s LYS 120 Cb -0.13 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2gaw s LYS 120 CO 0.10 0.00 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.83 2gaw s GLU 121 N 1.05 1.27 -0.37 4.03 2.02 0.54 -5.05 118.70 122.19 2gaw s GLU 121 Ca 0.34 -1.61 -0.15 0.00 0.02 0.00 0.00 54.97 53.57 2gaw s GLU 121 Cb -0.17 -0.69 -0.00 0.00 0.10 0.00 0.00 34.13 33.37 2gaw s GLU 121 CO 0.15 -0.02 0.33 1.21 0.02 0.00 0.00 175.26 176.96 2gaw s ASN 122 N -3.28 6.14 0.00 -0.19 2.47 -1.26 -4.38 114.94 114.44 2gaw s ASN 122 Ca 0.25 -0.49 0.26 0.00 0.42 0.00 0.00 52.86 53.29 2gaw s ASN 122 Cb 0.04 -2.18 0.65 0.00 -1.45 0.00 0.00 41.25 38.31 2gaw s ASN 122 CO 0.06 -0.38 1.50 0.18 -3.72 0.00 0.00 177.10 174.75 2gaw n LEU 123 N 5.31 1.39 -4.60 3.21 4.77 -1.26 -4.80 117.00 121.01 2gaw n LEU 123 Ca -0.10 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 2gaw n LEU 123 Cb 0.49 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 2gaw n LEU 123 CO 0.41 0.25 0.64 -0.22 -1.33 0.00 0.00 177.39 177.14 2gaw s LEU 124 N -2.38 4.07 0.48 2.23 2.96 -1.26 -2.07 118.68 122.71 2gaw s LEU 124 Ca 0.26 0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 54.56 2gaw s LEU 124 Cb 0.19 -3.12 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 2gaw s LEU 124 CO 0.48 -0.72 0.95 0.42 -1.32 0.00 0.00 176.35 176.16 2gaw s THR 125 N 3.15 4.53 0.31 3.68 -4.23 -1.26 -4.89 115.64 116.94 2gaw s THR 125 Ca 0.34 1.21 0.07 0.00 -1.18 0.00 0.00 61.69 62.13 2gaw s THR 125 Cb -0.13 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.32 2gaw s THR 125 CO 0.15 -0.58 1.75 0.00 -0.54 0.00 0.00 174.62 175.40 2gaw h ALA 126 N 1.19 1.71 0.15 3.99 0.00 -1.99 0.23 119.26 124.55 2gaw h ALA 126 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2gaw h ALA 126 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2gaw h ALA 126 CO 0.62 -0.16 -0.13 1.49 0.00 0.00 0.00 179.25 181.06 2gaw h GLU 127 N 0.66 -0.29 -0.04 0.00 4.81 -1.99 -0.41 114.58 117.32 2gaw h GLU 127 Ca 0.61 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.78 2gaw h GLU 127 Cb 1.06 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2gaw h GLU 127 CO -0.43 -0.20 -0.33 0.77 -0.73 0.00 0.00 179.01 178.09 2gaw h SER 128 N -0.30 0.08 -0.39 1.04 0.02 -1.44 -1.02 113.55 111.53 2gaw h SER 128 Ca -0.00 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 2gaw h SER 128 Cb 0.28 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2gaw h SER 128 CO -0.03 0.41 -0.28 -0.08 -1.14 0.00 0.00 176.83 175.71 2gaw h GLU 129 N 0.07 0.89 0.24 3.45 4.81 -0.69 -0.75 114.58 122.60 2gaw h GLU 129 Ca 0.01 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2gaw h GLU 129 Cb 0.62 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2gaw h GLU 129 CO 0.05 1.08 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.91 2gaw h LYS 130 N 0.70 -0.54 -0.77 1.92 1.63 -0.60 -0.49 116.57 118.42 2gaw h LYS 130 Ca 0.08 0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 2gaw h LYS 130 Cb 0.86 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.58 2gaw h LYS 130 CO 0.08 -0.36 0.28 0.93 -3.45 0.00 0.00 179.45 176.93 2gaw h GLU 131 N -0.56 1.16 -0.67 1.90 5.08 -1.17 -1.76 114.58 118.56 2gaw h GLU 131 Ca -0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2gaw h GLU 131 Cb 0.53 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2gaw h GLU 131 CO -0.08 0.96 0.43 2.35 -1.00 0.00 0.00 179.01 181.67 2gaw h TRP 132 N 1.12 0.85 0.00 4.33 7.01 -0.92 -0.33 115.95 128.01 2gaw h TRP 132 Ca 0.25 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.27 2gaw h TRP 132 Cb 0.25 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 2gaw h TRP 132 CO 0.02 0.55 0.00 1.63 -2.79 0.00 0.00 178.44 177.85 2gaw n LYS 133 N -4.61 0.05 0.00 2.65 5.02 -0.21 -0.78 118.16 120.29 2gaw n LYS 133 Ca 0.06 0.28 -0.21 0.00 -2.02 0.00 0.00 58.31 56.41 2gaw n LYS 133 Cb 0.03 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.31 2gaw n LYS 133 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2gaw h GLU 134 N 0.00 0.22 -0.86 1.97 5.08 -0.34 -3.34 114.58 117.32 2gaw h GLU 134 Ca 0.00 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2gaw h GLU 134 Cb 0.30 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2gaw h GLU 134 CO 0.00 1.18 0.56 2.35 -1.00 0.00 0.00 179.01 182.10 2gaw h TRP 135 N -0.38 0.98 0.00 4.33 7.01 -0.61 -1.11 115.95 126.16 2gaw h TRP 135 Ca -0.27 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.74 2gaw h TRP 135 Cb 1.69 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 28.42 2gaw h TRP 135 CO 0.14 0.52 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.20 2gaw h LEU 136 N 0.97 0.00 0.00 0.65 3.38 -1.08 -2.63 115.31 116.60 2gaw h LEU 136 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2gaw h LEU 136 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2gaw h LEU 136 CO -0.13 0.04 -0.09 0.11 0.09 0.00 0.00 178.44 178.46 2gaw h LYS 137 N 0.00 0.01 0.00 1.13 1.57 -1.33 -3.51 116.57 114.43 2gaw h LYS 137 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2gaw h LYS 137 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2gaw h LYS 137 CO 0.01 1.01 0.00 2.41 -0.57 0.00 0.00 179.45 182.30