#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daw s SER 2 N 0.00 3.67 -0.06 1.61 1.04 -1.26 -5.02 113.70 113.68 2daw s SER 2 Ca 0.00 -0.52 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 2daw s SER 2 Cb 0.00 -1.59 -0.13 0.00 0.10 0.00 0.00 66.02 64.40 2daw s SER 2 CO 0.00 0.01 0.69 0.28 0.98 0.00 0.00 173.24 175.20 2daw h SER 3 N 7.91 -0.20 0.00 7.02 0.02 -2.12 -3.49 113.55 122.68 2daw h SER 3 Ca -0.42 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 2daw h SER 3 Cb 1.16 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2daw h SER 3 CO 0.61 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 2daw n GLY 4 N 0.79 2.24 3.68 -3.77 0.00 -1.26 -5.07 105.19 101.80 2daw n GLY 4 Ca -0.07 -0.70 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 2daw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2daw n SER 5 N 0.00 3.36 -3.55 1.61 7.64 -1.26 -4.95 113.62 116.47 2daw n SER 5 Ca 0.00 1.02 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 2daw n SER 5 Cb 0.00 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 61.73 2daw n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2daw s SER 6 N 2.47 -0.59 0.00 6.43 0.15 -1.26 -5.14 113.70 115.75 2daw s SER 6 Ca 0.85 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.38 2daw s SER 6 Cb -0.66 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2daw s SER 6 CO 0.44 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2daw n GLY 7 N 4.35 -0.30 0.68 9.45 0.00 -1.26 -4.76 105.19 113.36 2daw n GLY 7 Ca -0.14 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 2daw n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2daw n MET 8 N 0.00 0.08 -2.85 1.61 -0.00 -1.26 -5.02 117.12 109.67 2daw n MET 8 Ca 0.00 0.03 -0.41 0.00 -0.00 0.00 0.00 57.70 57.32 2daw n MET 8 Cb 0.00 -0.73 -0.05 0.00 -0.00 0.00 0.00 33.22 32.44 2daw n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2daw s SER 9 N -5.07 7.34 0.54 3.17 0.15 -1.26 -5.04 113.70 113.54 2daw s SER 9 Ca -0.05 1.61 -0.18 0.00 0.70 0.00 0.00 55.95 58.03 2daw s SER 9 Cb 0.02 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.74 2daw s SER 9 CO 0.06 -0.05 1.06 0.00 1.20 0.00 0.00 173.24 175.52 2daw s ALA 10 N 0.07 2.78 0.23 5.45 0.00 -1.26 -4.96 121.76 124.07 2daw s ALA 10 Ca 0.43 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2daw s ALA 10 Cb -0.22 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2daw s ALA 10 CO 0.26 -0.59 1.18 0.45 0.00 0.00 0.00 175.76 177.06 2daw s SER 11 N -2.23 7.10 0.60 0.00 0.15 -1.26 -4.88 113.70 113.18 2daw s SER 11 Ca 0.67 2.30 0.29 0.00 0.70 0.00 0.00 55.95 59.91 2daw s SER 11 Cb -0.18 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 62.76 2daw s SER 11 CO 0.28 -0.32 1.60 0.58 1.20 0.00 0.00 173.24 176.58 2daw h VAL 12 N 3.47 0.17 -0.34 4.45 2.07 -1.94 -2.11 116.25 122.02 2daw h VAL 12 Ca -0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2daw h VAL 12 Cb 1.21 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2daw h VAL 12 CO 0.71 0.00 -0.33 0.11 0.02 0.00 0.00 177.57 178.08 2daw h LYS 13 N 0.00 -0.15 0.56 1.57 1.57 -1.94 0.87 116.57 119.05 2daw h LYS 13 Ca 0.39 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 2daw h LYS 13 Cb 2.15 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.48 2daw h LYS 13 CO -0.00 -0.10 -0.47 0.93 -0.57 0.00 0.00 179.45 179.23 2daw h GLU 14 N -0.16 -0.97 -0.45 3.15 5.08 -1.77 -1.42 114.58 118.04 2daw h GLU 14 Ca 0.06 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2daw h GLU 14 Cb 0.31 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2daw h GLU 14 CO -0.40 -0.65 -0.27 -1.13 -1.00 0.00 0.00 179.01 175.56 2daw n SER 15 N -5.34 -0.48 -0.06 1.42 3.41 -1.01 -0.31 113.62 111.25 2daw n SER 15 Ca -0.12 1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 59.67 2daw n SER 15 Cb 0.45 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 2daw n SER 15 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2daw h LEU 16 N 0.00 -1.21 -0.62 1.04 3.38 -0.79 -1.57 115.31 115.55 2daw h LEU 16 Ca 0.07 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.34 2daw h LEU 16 Cb 0.19 0.52 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 2daw h LEU 16 CO -0.43 -0.37 -0.21 -0.61 0.09 0.00 0.00 178.44 176.91 2daw h GLN 17 N -0.37 -0.05 -0.92 1.13 -0.00 0.11 0.38 115.11 115.39 2daw h GLN 17 Ca 0.12 0.00 0.20 0.00 -0.00 0.00 0.00 58.65 58.97 2daw h GLN 17 Cb 0.58 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.00 2daw h GLN 17 CO -0.46 -0.04 0.60 -0.07 0.00 0.00 0.00 178.83 178.86 2daw h LEU 18 N -0.06 0.48 -0.66 -2.39 3.38 0.32 0.38 115.31 116.78 2daw h LEU 18 Ca 0.29 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2daw h LEU 18 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2daw h LEU 18 CO -0.66 0.19 0.32 1.56 0.09 0.00 0.00 178.44 179.94 2daw h GLN 19 N 0.48 0.94 -0.02 1.13 4.20 0.24 -2.21 115.11 119.87 2daw h GLN 19 Ca 0.49 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 2daw h GLN 19 Cb 1.10 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 2daw h GLN 19 CO -0.21 0.75 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.52 2daw h LEU 20 N 0.91 0.03 0.53 1.46 3.38 -0.61 -2.77 115.31 118.24 2daw h LEU 20 Ca 0.23 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2daw h LEU 20 Cb 0.11 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2daw h LEU 20 CO -0.03 0.15 -0.26 -0.07 0.09 0.00 0.00 178.44 178.32 2daw h LEU 21 N 0.03 -0.61 -1.68 1.67 3.38 -1.07 -2.65 115.31 114.39 2daw h LEU 21 Ca 0.01 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2daw h LEU 21 Cb 0.22 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2daw h LEU 21 CO 0.01 -0.39 0.37 1.05 0.09 0.00 0.00 178.44 179.57 2daw h GLU 22 N -0.79 0.36 0.49 1.13 4.11 -1.42 -2.47 114.58 115.99 2daw h GLU 22 Ca -0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 2daw h GLU 22 Cb 0.58 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2daw h GLU 22 CO 0.12 0.24 -0.35 0.52 0.07 0.00 0.00 179.01 179.61 2daw h MET 23 N 0.38 -0.79 0.00 1.06 2.86 -1.20 0.66 114.93 117.89 2daw h MET 23 Ca 0.25 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2daw h MET 23 Cb 0.48 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2daw h MET 23 CO -0.06 -0.53 -0.01 1.05 1.06 0.00 0.00 176.91 178.42 2daw h GLU 24 N -0.82 0.00 0.00 1.72 4.11 -1.16 -0.77 114.58 117.66 2daw h GLU 24 Ca -0.05 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.14 2daw h GLU 24 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2daw h GLU 24 CO 0.02 0.01 -1.47 0.52 0.07 0.00 0.00 179.01 178.16 2daw h MET 25 N 0.00 0.00 0.02 1.06 2.86 -0.87 -3.32 114.93 114.69 2daw h MET 25 Ca -0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 2daw h MET 25 Cb 0.07 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.75 2daw h MET 25 CO 0.00 0.53 -1.00 -0.07 1.06 0.00 0.00 176.91 177.43 2daw h LEU 26 N 0.00 0.84 0.04 1.22 3.38 0.17 -2.99 115.31 117.96 2daw h LEU 26 Ca -0.20 -0.76 0.02 0.00 0.09 0.00 0.00 57.88 57.03 2daw h LEU 26 Cb 1.85 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 2daw h LEU 26 CO 0.08 1.49 -0.20 -0.26 0.09 0.00 0.00 178.44 179.64 2daw h PHE 27 N 0.27 -0.53 -0.50 1.13 0.04 -1.40 -0.02 116.94 115.93 2daw h PHE 27 Ca -0.13 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.66 2daw h PHE 27 Cb 1.67 0.23 -0.03 0.00 2.20 0.00 0.00 35.95 40.02 2daw h PHE 27 CO 0.12 -0.29 0.33 1.03 -0.60 0.00 0.00 178.31 178.90 2daw h SER 28 N -0.34 0.57 0.23 2.17 0.87 -1.67 -1.40 113.55 113.98 2daw h SER 28 Ca 0.05 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2daw h SER 28 Cb 0.40 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2daw h SER 28 CO -0.16 0.41 -0.39 0.24 -0.53 0.00 0.00 176.83 176.40 2daw h MET 29 N 0.67 0.22 -3.15 2.24 2.86 -1.18 -3.34 114.93 113.25 2daw h MET 29 Ca 0.19 -0.10 -0.64 0.00 -2.06 0.00 0.00 59.70 57.09 2daw h MET 29 Cb -0.07 -0.01 -0.41 0.00 0.06 0.00 0.00 31.60 31.18 2daw h MET 29 CO -0.04 0.58 -0.48 -0.06 1.06 0.00 0.00 176.91 177.97 2daw s PHE 30 N -4.19 3.62 0.10 -0.22 0.08 -0.10 -4.92 117.98 112.35 2daw s PHE 30 Ca -0.04 -3.27 -0.15 0.00 0.12 0.00 0.00 56.93 53.58 2daw s PHE 30 Cb 0.14 -2.82 -0.09 0.00 -0.57 0.00 0.00 43.02 39.68 2daw s PHE 30 CO 0.77 -0.59 1.42 -1.00 -0.10 0.00 0.00 175.22 175.71 2daw h PRO 31 N 5.58 0.69 -5.29 0.24 0.13 -1.69 -3.42 132.00 128.24 2daw h PRO 31 Ca 0.14 -0.36 -0.25 0.00 -0.87 0.00 0.00 66.00 64.66 2daw h PRO 31 Cb 0.77 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2daw h PRO 31 CO 0.74 0.97 1.03 0.09 -0.23 0.00 0.00 178.00 180.61 2daw n ASN 32 N -4.28 1.06 -4.31 1.44 3.02 -1.26 -4.80 115.26 106.13 2daw n ASN 32 Ca -0.04 -0.86 -0.58 0.00 -0.03 0.00 0.00 54.58 53.07 2daw n ASN 32 Cb 0.46 -1.32 -0.08 0.00 -0.61 0.00 0.00 39.78 38.23 2daw n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2daw n GLN 33 N 8.13 0.00 0.00 3.52 6.02 -1.26 -2.53 117.38 131.25 2daw n GLN 33 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2daw n GLN 33 Cb 0.35 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.19 2daw n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2daw n GLY 34 N 2.04 3.59 0.16 1.08 0.00 -1.26 -4.99 105.19 105.80 2daw n GLY 34 Ca 0.22 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 2daw n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2daw n GLU 35 N 0.00 -0.17 -3.23 1.61 -0.58 -1.05 -4.20 120.64 113.02 2daw n GLU 35 Ca 0.00 1.16 -0.39 0.00 -0.42 0.00 0.00 57.16 57.52 2daw n GLU 35 Cb 0.00 -1.73 -0.06 0.00 -0.57 0.00 0.00 31.44 29.09 2daw n GLU 35 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2daw s VAL 36 N -4.00 5.13 -0.26 2.62 1.01 -1.26 -2.11 120.40 121.53 2daw s VAL 36 Ca -0.05 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.04 2daw s VAL 36 Cb 0.04 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2daw s VAL 36 CO 0.24 0.28 -0.08 -0.75 0.00 0.00 0.00 175.10 174.78 2daw s LYS 37 N 0.86 2.43 -0.45 2.72 2.20 -0.82 -4.97 119.74 121.71 2daw s LYS 37 Ca 0.29 -1.24 -0.12 0.00 -0.36 0.00 0.00 55.97 54.54 2daw s LYS 37 Cb -0.16 -2.95 0.08 0.00 -1.51 0.00 0.00 37.83 33.29 2daw s LYS 37 CO 0.12 -0.53 0.32 -0.51 -0.36 0.00 0.00 175.35 174.40 2daw s LEU 38 N 1.18 5.40 0.43 5.43 1.43 -1.26 -2.89 118.68 128.40 2daw s LEU 38 Ca -0.06 -1.47 0.28 0.00 -1.03 0.00 0.00 54.13 51.86 2daw s LEU 38 Cb -0.19 -2.07 1.38 0.00 0.03 0.00 0.00 46.19 45.34 2daw s LEU 38 CO -0.05 -0.60 1.65 -0.33 0.23 0.00 0.00 176.35 177.25 2daw h GLU 39 N 8.56 0.13 -1.64 1.70 4.39 -1.99 -3.34 114.58 122.38 2daw h GLU 39 Ca -0.25 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 2daw h GLU 39 Cb 1.09 -0.03 -0.27 0.00 -0.10 0.00 0.00 28.75 29.44 2daw h GLU 39 CO 0.82 0.08 -0.43 -0.51 -1.16 0.00 0.00 179.01 177.81 2daw s ASP 40 N -4.61 -0.19 0.49 1.42 1.01 -1.26 -5.00 116.67 108.53 2daw s ASP 40 Ca -0.08 0.35 0.30 0.00 0.71 0.00 0.00 52.55 53.84 2daw s ASP 40 Cb 0.29 1.40 1.64 0.00 1.01 0.00 0.00 42.92 47.26 2daw s ASP 40 CO 0.82 -0.29 1.91 -0.37 0.21 0.00 0.00 175.17 177.45 2daw h VAL 41 N 6.13 0.00 0.00 -1.27 -1.51 -2.02 0.59 116.25 118.18 2daw h VAL 41 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2daw h VAL 41 Cb 1.15 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 2daw h VAL 41 CO 0.27 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.20 2daw n ASN 42 N -2.61 0.56 -0.17 4.19 3.02 -1.26 -2.99 115.26 116.00 2daw n ASN 42 Ca -0.02 0.65 -0.04 0.00 -0.03 0.00 0.00 54.58 55.14 2daw n ASN 42 Cb 0.13 -0.77 0.06 0.00 -0.61 0.00 0.00 39.78 38.59 2daw n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2daw h ALA 43 N 2.26 0.65 -0.58 5.41 0.00 -1.19 0.98 119.26 126.79 2daw h ALA 43 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2daw h ALA 43 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2daw h ALA 43 CO 0.00 -0.13 -0.04 -0.07 0.00 0.00 0.00 179.25 179.01 2daw h LEU 44 N 0.46 1.03 0.57 0.00 3.38 -1.77 -3.13 115.31 115.86 2daw h LEU 44 Ca 0.23 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2daw h LEU 44 Cb 0.18 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2daw h LEU 44 CO -0.19 1.10 -0.27 0.74 0.09 0.00 0.00 178.44 179.91 2daw h THR 45 N 0.94 0.35 -1.55 0.22 2.02 -1.53 -2.72 112.91 110.65 2daw h THR 45 Ca 0.16 -0.27 0.45 0.00 0.77 0.00 0.00 66.41 67.52 2daw h THR 45 Cb 0.60 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 2daw h THR 45 CO 0.04 0.04 1.10 0.78 0.37 0.00 0.00 175.52 177.85 2daw h ASN 46 N -0.96 0.04 0.30 4.18 2.35 -0.85 -0.74 115.58 119.89 2daw h ASN 46 Ca -0.08 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2daw h ASN 46 Cb 0.65 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2daw h ASN 46 CO 0.13 -0.01 -0.15 0.40 -1.65 0.00 0.00 177.43 176.15 2daw h ILE 47 N 0.02 0.00 -1.84 2.81 2.04 -1.43 -3.17 117.51 115.94 2daw h ILE 47 Ca 0.76 -0.43 0.54 0.00 1.00 0.00 0.00 64.86 66.73 2daw h ILE 47 Cb 2.95 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.95 2daw h ILE 47 CO -0.05 0.00 1.32 0.29 0.00 0.00 0.00 178.15 179.71 2daw n LYS 48 N -4.29 -0.00 0.09 2.37 5.02 -0.31 0.87 118.16 121.92 2daw n LYS 48 Ca -0.05 1.03 -0.12 0.00 -2.02 0.00 0.00 58.31 57.14 2daw n LYS 48 Cb 0.16 -2.36 -0.08 0.00 -0.02 0.00 0.00 35.03 32.73 2daw n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2daw h ARG 49 N 0.00 -0.26 -0.69 1.97 3.08 -1.49 -3.24 114.38 113.75 2daw h ARG 49 Ca 0.89 0.02 0.14 0.00 0.07 0.00 0.00 59.98 61.09 2daw h ARG 49 Cb 3.53 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 33.54 2daw h ARG 49 CO -0.03 0.11 0.18 -0.92 -1.07 0.00 0.00 179.97 178.24 2daw h TYR 50 N -0.72 0.30 -1.41 3.04 5.03 0.51 0.13 116.97 123.84 2daw h TYR 50 Ca -0.03 0.04 0.42 0.00 2.58 0.00 0.00 58.73 61.74 2daw h TYR 50 Cb 0.49 -0.02 -0.08 0.00 1.55 0.00 0.00 36.73 38.67 2daw h TYR 50 CO 0.05 -0.03 0.98 -0.07 -1.32 0.00 0.00 178.16 177.77 2daw h LEU 51 N 0.30 0.13 0.00 2.82 3.38 -1.49 1.08 115.31 121.53 2daw h LEU 51 Ca 0.38 0.05 -0.27 0.00 0.09 0.00 0.00 57.88 58.13 2daw h LEU 51 Cb 0.60 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2daw h LEU 51 CO -0.45 -0.04 -1.52 -0.08 0.09 0.00 0.00 178.44 176.44 2daw h GLU 52 N 0.08 0.00 0.00 1.13 4.81 -0.85 -3.49 114.58 116.26 2daw h GLU 52 Ca 0.74 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 2daw h GLU 52 Cb 2.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.03 2daw h GLU 52 CO -0.16 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 179.16 2daw n GLY 53 N 1.50 1.66 1.52 1.92 0.00 0.37 -5.00 105.19 107.17 2daw n GLY 53 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2daw n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2daw n THR 54 N -1.28 2.62 -3.77 2.61 5.66 -1.21 -4.91 114.28 114.00 2daw n THR 54 Ca 0.00 -1.64 -0.37 0.00 -3.05 0.00 0.00 64.05 58.99 2daw n THR 54 Cb 0.00 -0.28 -0.13 0.00 -1.55 0.00 0.00 70.33 68.37 2daw n THR 54 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2daw s ARG 55 N -2.83 3.32 0.25 1.09 6.06 -1.26 -4.91 118.95 120.66 2daw s ARG 55 Ca 0.50 -0.70 0.23 0.00 -2.50 0.00 0.00 55.73 53.26 2daw s ARG 55 Cb 0.39 -3.32 0.97 0.00 0.06 0.00 0.00 34.95 33.06 2daw s ARG 55 CO 0.13 -0.33 1.69 -1.91 -2.50 0.00 0.00 175.30 172.38 2daw n GLU 56 N 4.88 0.18 -4.04 5.12 2.13 -1.26 -4.80 120.64 122.85 2daw n GLU 56 Ca -0.15 0.43 -0.10 0.00 0.66 0.00 0.00 57.16 58.00 2daw n GLU 56 Cb 0.49 -1.86 -0.06 0.00 0.27 0.00 0.00 31.44 30.28 2daw n GLU 56 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2daw s ALA 57 N -3.32 0.11 0.05 4.31 0.00 -1.26 -5.13 121.76 116.51 2daw s ALA 57 Ca 0.04 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 2daw s ALA 57 Cb 0.09 1.14 -0.06 0.00 0.00 0.00 0.00 23.12 24.29 2daw s ALA 57 CO 0.37 -0.80 1.36 -1.17 0.00 0.00 0.00 175.76 175.52 2daw s LEU 58 N -3.06 4.34 0.75 0.00 1.98 -1.26 -5.01 118.68 116.42 2daw s LEU 58 Ca 0.26 2.16 -0.11 0.00 -2.89 0.00 0.00 54.13 53.55 2daw s LEU 58 Cb 0.01 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.33 2daw s LEU 58 CO 0.10 -0.65 1.10 -2.16 -1.89 0.00 0.00 176.35 172.85 2daw s PRO 59 N 1.76 2.37 -0.19 0.98 0.04 -1.26 -4.96 135.00 133.74 2daw s PRO 59 Ca 0.63 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 2daw s PRO 59 Cb -0.33 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2daw s PRO 59 CO 0.28 -1.57 1.59 -1.25 0.04 0.00 0.00 177.00 176.10 2daw s PRO 60 N -4.73 3.88 1.00 0.56 0.04 -1.26 -4.98 135.00 129.51 2daw s PRO 60 Ca 0.62 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 2daw s PRO 60 Cb -0.18 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 2daw s PRO 60 CO 0.53 -1.19 -0.61 0.36 0.04 0.00 0.00 177.00 176.13 2daw n LYS 61 N 7.51 -0.91 -3.16 4.56 2.85 -1.26 -4.83 118.16 122.92 2daw n LYS 61 Ca 0.18 -0.26 -0.45 0.00 -1.05 0.00 0.00 58.31 56.73 2daw n LYS 61 Cb 0.45 -1.31 -0.05 0.00 -0.65 0.00 0.00 35.03 33.47 2daw n LYS 61 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2daw s ILE 62 N -2.09 4.91 -0.13 0.58 1.01 -1.24 -4.96 121.20 119.28 2daw s ILE 62 Ca 0.40 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2daw s ILE 62 Cb -0.00 -4.45 0.01 0.00 0.01 0.00 0.00 42.46 38.03 2daw s ILE 62 CO 0.56 -1.06 -0.17 -0.70 0.00 0.00 0.00 174.94 173.56 2daw s GLU 63 N 2.43 2.52 0.33 2.79 2.12 -1.26 -2.97 118.70 124.67 2daw s GLU 63 Ca 0.10 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 2daw s GLU 63 Cb -0.25 -2.13 0.01 0.00 0.26 0.00 0.00 34.13 32.02 2daw s GLU 63 CO 0.06 -0.08 0.48 1.97 -0.54 0.00 0.00 175.26 177.15 2daw n PHE 64 N 4.27 -1.47 -4.48 5.30 -1.74 -1.06 -4.46 117.46 113.82 2daw n PHE 64 Ca -0.19 -2.18 -0.29 0.00 -0.56 0.00 0.00 57.45 54.23 2daw n PHE 64 Cb 0.51 0.55 -0.17 0.00 1.52 0.00 0.00 39.48 41.89 2daw n PHE 64 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2daw s VAL 65 N -2.74 1.62 -0.20 1.97 1.01 -1.14 -1.60 120.40 119.32 2daw s VAL 65 Ca 0.26 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2daw s VAL 65 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2daw s VAL 65 CO 0.19 0.47 0.02 -0.63 0.00 0.00 0.00 175.10 175.14 2daw s ILE 66 N 0.98 4.15 -0.51 2.22 1.01 0.29 -1.95 121.20 127.39 2daw s ILE 66 Ca -0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 2daw s ILE 66 Cb -0.15 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.48 2daw s ILE 66 CO -0.02 0.43 0.78 -0.89 0.00 0.00 0.00 174.94 175.24 2daw s THR 67 N 0.91 4.63 -0.68 2.92 2.01 -0.90 -1.24 115.64 123.29 2daw s THR 67 Ca 0.02 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 2daw s THR 67 Cb -0.14 -4.39 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 2daw s THR 67 CO 0.02 -0.90 1.81 -0.76 -0.69 0.00 0.00 174.62 174.11 2daw s LEU 68 N 3.30 3.26 -1.18 4.42 2.01 -0.66 -4.89 118.68 124.94 2daw s LEU 68 Ca 0.25 0.05 -0.22 0.00 0.01 0.00 0.00 54.13 54.21 2daw s LEU 68 Cb -0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.47 2daw s LEU 68 CO 0.17 -2.37 1.87 -1.58 1.01 0.00 0.00 176.35 175.45 2daw s GLN 69 N 6.87 2.90 -0.32 1.70 2.00 -1.26 -3.79 119.66 127.75 2daw s GLN 69 Ca 0.64 -1.29 -0.28 0.00 -2.00 0.00 0.00 55.36 52.43 2daw s GLN 69 Cb -0.11 -5.30 -0.02 0.00 0.80 0.00 0.00 33.01 28.38 2daw s GLN 69 CO 0.16 -3.46 1.86 0.42 -0.50 0.00 0.00 175.29 173.77 2daw s ILE 70 N 9.10 3.41 0.24 -2.34 -1.09 -1.24 -4.87 121.20 124.41 2daw s ILE 70 Ca 0.64 0.41 -0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2daw s ILE 70 Cb -0.00 -3.56 0.26 0.00 -1.58 0.00 0.00 42.46 37.58 2daw s ILE 70 CO 0.10 -0.36 1.65 -0.33 -1.23 0.00 0.00 174.94 174.76 2daw h GLU 71 N 13.27 0.14 -2.12 2.79 4.39 -1.91 -3.19 114.58 127.94 2daw h GLU 71 Ca -0.34 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 2daw h GLU 71 Cb 1.18 -0.03 -0.22 0.00 -0.10 0.00 0.00 28.75 29.58 2daw h GLU 71 CO 1.03 0.09 -0.02 -1.83 -1.16 0.00 0.00 179.01 177.12 2daw s GLU 72 N -6.09 0.68 0.07 2.33 -1.05 -1.26 -2.97 118.70 110.41 2daw s GLU 72 Ca -0.13 1.11 -0.31 0.00 -0.15 0.00 0.00 54.97 55.49 2daw s GLU 72 Cb 0.22 0.16 -0.07 0.00 -0.44 0.00 0.00 34.13 34.00 2daw s GLU 72 CO 0.75 -0.14 1.39 -1.25 0.95 0.00 0.00 175.26 176.96 2daw s PRO 73 N 1.36 4.31 -0.85 -4.83 0.04 -1.26 -4.68 135.00 129.08 2daw s PRO 73 Ca -0.08 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 2daw s PRO 73 Cb -0.05 -3.37 -0.21 0.00 0.04 0.00 0.00 34.50 30.91 2daw s PRO 73 CO -0.15 -0.48 2.42 1.17 0.04 0.00 0.00 177.00 180.00 2daw n LYS 74 N 4.45 0.33 -4.25 4.56 3.00 -1.16 -4.80 118.16 120.29 2daw n LYS 74 Ca 0.12 -0.18 -0.17 0.00 -0.00 0.00 0.00 58.31 58.08 2daw n LYS 74 Cb 0.43 -2.20 -0.08 0.00 0.00 0.00 0.00 35.03 33.17 2daw n LYS 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2daw s VAL 75 N 8.21 0.00 -0.08 3.15 -7.23 -1.21 -5.06 120.40 118.19 2daw s VAL 75 Ca 1.18 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 2daw s VAL 75 Cb -0.69 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 2daw s VAL 75 CO 0.38 0.00 -0.24 -0.75 -0.31 0.00 0.00 175.10 174.19 2daw s LYS 76 N -3.63 2.78 -0.20 4.82 2.20 -1.26 -3.64 119.74 120.80 2daw s LYS 76 Ca 0.40 -0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2daw s LYS 76 Cb 0.03 -2.24 0.06 0.00 -1.51 0.00 0.00 37.83 34.17 2daw s LYS 76 CO 0.23 0.31 0.01 0.42 -0.36 0.00 0.00 175.35 175.95 2daw s ILE 77 N 0.03 0.83 -0.51 5.43 1.01 -1.25 -4.67 121.20 122.07 2daw s ILE 77 Ca -0.09 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 2daw s ILE 77 Cb -0.15 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.09 2daw s ILE 77 CO 0.06 -0.15 1.17 -1.81 0.00 0.00 0.00 174.94 174.20 2daw s ASP 78 N 1.72 6.55 -0.32 3.58 1.01 -1.24 -1.65 116.67 126.32 2daw s ASP 78 Ca -0.02 0.34 -0.11 0.00 0.71 0.00 0.00 52.55 53.47 2daw s ASP 78 Cb -0.17 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 2daw s ASP 78 CO -0.07 -1.35 0.19 -0.22 0.21 0.00 0.00 175.17 173.93 2daw s LEU 79 N 4.68 4.25 -0.53 1.23 2.96 -0.37 -3.27 118.68 127.63 2daw s LEU 79 Ca 0.47 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.74 2daw s LEU 79 Cb -0.07 -2.07 0.05 0.00 0.50 0.00 0.00 46.19 44.60 2daw s LEU 79 CO 0.30 -0.19 0.80 -1.10 -1.32 0.00 0.00 176.35 174.83 2daw s GLN 80 N 1.67 3.23 -0.19 1.98 -0.21 0.18 -0.55 119.66 125.78 2daw s GLN 80 Ca 0.06 -0.56 -0.14 0.00 0.02 0.00 0.00 55.36 54.74 2daw s GLN 80 Cb -0.17 -4.08 -0.04 0.00 1.00 0.00 0.00 33.01 29.72 2daw s GLN 80 CO 0.08 -1.37 0.30 0.54 -2.12 0.00 0.00 175.29 172.72 2daw s VAL 81 N 3.35 5.29 -0.30 1.09 0.11 -0.63 -2.02 120.40 127.28 2daw s VAL 81 Ca 0.23 0.53 0.02 0.00 -2.93 0.00 0.00 61.98 59.83 2daw s VAL 81 Cb -0.16 -3.64 0.09 0.00 -1.53 0.00 0.00 36.38 31.15 2daw s VAL 81 CO 0.16 0.34 0.04 -0.89 -3.33 0.00 0.00 175.10 171.42 2daw s THR 82 N 0.80 1.61 -0.35 5.04 2.01 -0.49 -2.57 115.64 121.68 2daw s THR 82 Ca 0.16 -1.74 -0.15 0.00 0.31 0.00 0.00 61.69 60.26 2daw s THR 82 Cb -0.13 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 2daw s THR 82 CO 0.05 -0.50 0.37 -0.04 -0.69 0.00 0.00 174.62 173.80 2daw s MET 83 N 1.27 3.53 0.11 4.92 -1.94 -1.16 -2.13 119.30 123.90 2daw s MET 83 Ca 0.06 -0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 53.58 2daw s MET 83 Cb -0.18 -3.82 0.03 0.00 2.01 0.00 0.00 34.83 32.87 2daw s MET 83 CO -0.14 -0.55 0.10 -0.35 -0.01 0.00 0.00 175.02 174.07 2daw n PRO 84 N 5.40 -1.22 0.05 2.03 -0.04 -1.26 -3.68 135.00 136.27 2daw n PRO 84 Ca -0.09 -0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 63.15 2daw n PRO 84 Cb 0.49 -0.15 -0.12 0.00 -0.04 0.00 0.00 33.50 33.69 2daw n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daw h HIS 85 N -1.63 0.00 0.03 0.54 3.86 -1.98 -3.34 115.15 112.64 2daw h HIS 85 Ca -0.04 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 2daw h HIS 85 Cb 0.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.59 2daw h HIS 85 CO 0.00 0.98 -0.54 0.77 0.86 0.00 0.00 177.93 180.00 2daw h SER 86 N 0.00 0.42 -1.24 2.45 0.02 -1.93 -3.38 113.55 109.88 2daw h SER 86 Ca -0.06 -0.82 -0.47 0.00 -0.84 0.00 0.00 61.79 59.60 2daw h SER 86 Cb 1.80 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 64.33 2daw h SER 86 CO 0.12 1.19 -0.70 0.00 -1.14 0.00 0.00 176.83 176.30 2daw n TYR 87 N -4.28 -1.54 0.18 3.45 4.19 -1.26 -2.51 117.16 115.39 2daw n TYR 87 Ca -0.11 0.48 0.04 0.00 3.31 0.00 0.00 57.90 61.62 2daw n TYR 87 Cb 0.66 -1.34 0.35 0.00 0.49 0.00 0.00 39.34 39.50 2daw n TYR 87 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2daw h PRO 88 N 0.26 0.00 -0.70 2.98 0.13 -1.82 -3.40 132.00 129.45 2daw h PRO 88 Ca -0.27 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.14 2daw h PRO 88 Cb 1.09 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.09 2daw h PRO 88 CO 0.35 0.40 0.33 0.66 -0.23 0.00 0.00 178.00 179.51 2daw n TYR 89 N -3.79 0.77 -3.88 1.56 4.01 -1.04 -4.22 117.16 110.57 2daw n TYR 89 Ca -0.01 0.83 -0.25 0.00 -0.16 0.00 0.00 57.90 58.32 2daw n TYR 89 Cb 0.47 -1.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.24 2daw n TYR 89 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2daw s LEU 90 N -9.27 4.30 -0.18 7.72 2.96 -1.23 -4.67 118.68 118.30 2daw s LEU 90 Ca -0.07 0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2daw s LEU 90 Cb 0.24 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 2daw s LEU 90 CO 0.55 -0.02 1.14 0.00 -1.32 0.00 0.00 176.35 176.70 2daw s ALA 91 N -1.87 3.64 1.04 5.97 0.00 -1.26 -4.04 121.76 125.23 2daw s ALA 91 Ca 0.35 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2daw s ALA 91 Cb -0.10 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.57 2daw s ALA 91 CO 0.29 -1.04 0.62 1.47 0.00 0.00 0.00 175.76 177.10 2daw n LEU 92 N 6.24 0.00 -3.86 0.00 -0.00 -1.26 -4.90 117.00 113.21 2daw n LEU 92 Ca 0.12 -0.68 -0.26 0.00 -0.00 0.00 0.00 56.01 55.20 2daw n LEU 92 Cb 0.46 -0.50 -0.17 0.00 -0.00 0.00 0.00 43.42 43.21 2daw n LEU 92 CO 0.54 -1.15 -0.42 -1.58 -0.00 0.00 0.00 177.39 174.78 2daw s GLN 93 N -4.38 1.23 0.08 1.47 0.74 -0.91 -5.03 119.66 112.87 2daw s GLN 93 Ca 0.37 -0.21 0.09 0.00 0.05 0.00 0.00 55.36 55.66 2daw s GLN 93 Cb -0.02 -1.52 -0.03 0.00 1.10 0.00 0.00 33.01 32.54 2daw s GLN 93 CO 0.26 -0.32 -0.22 -0.51 -0.55 0.00 0.00 175.29 173.95 2daw s LEU 94 N 1.77 2.46 -0.15 3.68 1.43 -1.26 -1.39 118.68 125.21 2daw s LEU 94 Ca 0.04 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2daw s LEU 94 Cb -0.13 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.76 2daw s LEU 94 CO -0.07 0.22 0.20 0.12 0.23 0.00 0.00 176.35 177.05 2daw s PHE 95 N -0.98 -0.25 -0.18 0.29 2.19 -0.86 -4.89 117.98 113.31 2daw s PHE 95 Ca 0.15 0.44 -0.00 0.00 0.33 0.00 0.00 56.93 57.84 2daw s PHE 95 Cb -0.10 -0.29 0.01 0.00 -1.31 0.00 0.00 43.02 41.32 2daw s PHE 95 CO 0.06 -0.45 -0.15 0.20 1.83 0.00 0.00 175.22 176.70 2daw s GLY 96 N 2.32 1.46 -0.07 13.12 0.00 -1.26 -0.65 107.32 122.23 2daw s GLY 96 Ca 0.05 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 2daw s GLY 96 CO -0.09 0.24 0.19 1.09 0.00 0.00 0.00 173.10 174.53 2daw s ARG 97 N 1.21 0.22 0.22 2.90 1.70 -1.20 -4.71 118.95 119.29 2daw s ARG 97 Ca 0.02 0.30 0.06 0.00 -0.47 0.00 0.00 55.73 55.63 2daw s ARG 97 Cb -0.14 0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.26 2daw s ARG 97 CO -0.07 -0.05 -0.07 0.45 -1.08 0.00 0.00 175.30 174.48 2daw s SER 98 N 0.26 2.26 0.06 -2.89 0.15 -1.26 -3.62 113.70 108.66 2daw s SER 98 Ca -0.01 -1.13 -0.23 0.00 0.70 0.00 0.00 55.95 55.28 2daw s SER 98 Cb -0.03 -0.08 -0.15 0.00 -1.71 0.00 0.00 66.02 64.06 2daw s SER 98 CO -0.01 -0.35 1.58 -1.28 1.20 0.00 0.00 173.24 174.38 2daw h SER 99 N 2.49 0.08 0.61 5.45 0.87 -2.03 -3.24 113.55 117.79 2daw h SER 99 Ca -0.38 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 59.97 2daw h SER 99 Cb 1.22 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2daw h SER 99 CO 0.65 0.23 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.56 2daw h GLU 100 N -0.08 -0.79 -6.05 2.24 5.08 -1.97 -3.44 114.58 109.57 2daw h GLU 100 Ca 0.02 0.05 -0.71 0.00 -1.00 0.00 0.00 59.36 57.72 2daw h GLU 100 Cb 0.18 0.18 0.08 0.00 0.50 0.00 0.00 28.75 29.69 2daw h GLU 100 CO -0.00 -0.50 -0.17 1.28 -1.00 0.00 0.00 179.01 178.61 2daw n LEU 101 N -5.42 -0.31 -4.99 1.33 4.77 -1.22 -4.95 117.00 106.21 2daw n LEU 101 Ca -0.13 1.14 -0.20 0.00 -0.03 0.00 0.00 56.01 56.79 2daw n LEU 101 Cb 0.34 -0.98 0.04 0.00 -2.33 0.00 0.00 43.42 40.49 2daw n LEU 101 CO 0.37 -2.29 0.34 -0.62 -1.33 0.00 0.00 177.39 173.85 2daw s ASP 102 N -0.45 5.24 0.05 -1.43 2.15 -1.26 -4.77 116.67 116.20 2daw s ASP 102 Ca 0.76 -0.18 -0.13 0.00 0.43 0.00 0.00 52.55 53.42 2daw s ASP 102 Cb -1.05 -0.67 -0.05 0.00 -0.30 0.00 0.00 42.92 40.85 2daw s ASP 102 CO 0.56 -1.15 1.22 -0.09 -0.17 0.00 0.00 175.17 175.54 2daw h ARG 103 N 0.13 -0.21 -0.81 4.34 9.65 -1.98 0.63 114.38 126.13 2daw h ARG 103 Ca -0.40 0.01 0.18 0.00 -1.10 0.00 0.00 59.98 58.67 2daw h ARG 103 Cb 1.29 0.05 -0.15 0.00 -1.39 0.00 0.00 29.97 29.77 2daw h ARG 103 CO 0.49 -0.14 -0.08 1.25 2.80 0.00 0.00 179.97 184.28 2daw h HIS 104 N -0.22 -0.22 0.28 2.20 2.76 -2.00 -1.90 115.15 116.06 2daw h HIS 104 Ca 0.02 0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2daw h HIS 104 Cb 0.26 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2daw h HIS 104 CO -0.53 -0.32 -0.25 1.96 -1.30 0.00 0.00 177.93 177.50 2daw h GLN 105 N 0.04 -0.50 -0.85 5.26 7.50 -1.71 -2.04 115.11 122.82 2daw h GLN 105 Ca 0.43 0.03 0.13 0.00 0.50 0.00 0.00 58.65 59.75 2daw h GLN 105 Cb 0.74 0.11 -0.14 0.00 0.05 0.00 0.00 27.48 28.25 2daw h GLN 105 CO -0.78 -0.33 -0.32 1.04 -1.50 0.00 0.00 178.83 176.93 2daw n GLN 106 N -3.84 -0.19 -0.06 1.46 6.02 0.13 0.62 117.38 121.52 2daw n GLN 106 Ca -0.06 1.30 -0.07 0.00 -0.01 0.00 0.00 57.00 58.16 2daw n GLN 106 Cb 0.23 -1.93 -0.01 0.00 1.02 0.00 0.00 30.24 29.55 2daw n GLN 106 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2daw h LEU 107 N 0.00 -0.42 0.43 1.08 3.38 -1.22 0.17 115.31 118.72 2daw h LEU 107 Ca 0.30 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2daw h LEU 107 Cb 0.51 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2daw h LEU 107 CO -0.84 -0.16 -0.26 -0.07 0.09 0.00 0.00 178.44 177.21 2daw h LEU 108 N -0.08 -0.64 0.08 1.67 3.38 0.93 0.26 115.31 120.90 2daw h LEU 108 Ca 0.14 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2daw h LEU 108 Cb 0.30 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2daw h LEU 108 CO -0.32 -0.41 -0.40 0.25 0.09 0.00 0.00 178.44 177.64 2daw h LEU 109 N -0.65 -1.20 0.49 1.67 5.85 -0.37 0.10 115.31 121.19 2daw h LEU 109 Ca -0.05 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2daw h LEU 109 Cb 0.53 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2daw h LEU 109 CO 0.05 -0.47 -0.34 0.78 -0.34 0.00 0.00 178.44 178.13 2daw h ASN 110 N -0.61 -0.87 -0.87 1.25 2.35 -0.62 -0.67 115.58 115.55 2daw h ASN 110 Ca 0.03 0.05 0.16 0.00 -0.55 0.00 0.00 56.30 56.00 2daw h ASN 110 Cb 0.66 0.26 -0.16 0.00 0.05 0.00 0.00 38.32 39.13 2daw h ASN 110 CO -0.26 -0.50 -0.26 0.11 -1.65 0.00 0.00 177.43 174.87 2daw h LYS 111 N -0.78 -0.02 -0.31 0.81 1.57 -0.40 0.23 116.57 117.67 2daw h LYS 111 Ca -0.06 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2daw h LYS 111 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2daw h LYS 111 CO 0.04 -0.01 0.16 0.78 -0.57 0.00 0.00 179.45 179.85 2daw h GLY 112 N -0.02 0.42 0.12 3.86 0.00 -0.61 -2.34 103.07 104.50 2daw h GLY 112 Ca 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2daw h GLY 112 CO -0.90 0.09 -0.06 -2.00 0.00 0.00 0.00 176.54 173.68 2daw h LEU 113 N 0.33 -0.14 -0.77 3.11 5.85 0.88 0.20 115.31 124.76 2daw h LEU 113 Ca 0.13 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2daw h LEU 113 Cb 0.04 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 2daw h LEU 113 CO -0.09 -0.09 -0.40 0.35 -0.34 0.00 0.00 178.44 177.87 2daw n THR 114 N -2.52 -0.48 -0.35 1.05 -2.24 0.52 0.15 114.28 110.41 2daw n THR 114 Ca -0.02 1.84 -0.03 0.00 -2.27 0.00 0.00 64.05 63.57 2daw n THR 114 Cb 0.07 -2.32 0.10 0.00 -2.10 0.00 0.00 70.33 66.07 2daw n THR 114 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2daw h SER 115 N 0.00 1.12 0.32 3.42 0.87 -1.47 -0.98 113.55 116.82 2daw h SER 115 Ca 0.17 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2daw h SER 115 Cb 0.36 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2daw h SER 115 CO -0.74 0.86 -0.02 0.22 -0.53 0.00 0.00 176.83 176.62 2daw h TYR 116 N 1.29 0.00 0.00 2.24 3.20 0.36 -0.74 116.97 123.32 2daw h TYR 116 Ca 0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2daw h TYR 116 Cb -0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2daw h TYR 116 CO 0.00 0.02 -0.85 -0.89 -1.64 0.00 0.00 178.16 174.80 2daw n ILE 117 N -3.25 0.20 0.35 1.81 2.08 0.65 -3.95 119.36 117.25 2daw n ILE 117 Ca -0.02 -0.22 0.04 0.00 0.56 0.00 0.00 62.75 63.11 2daw n ILE 117 Cb 0.16 0.14 0.17 0.00 -0.75 0.00 0.00 39.64 39.36 2daw n ILE 117 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2daw n GLY 118 N 1.38 1.76 0.15 7.39 0.00 -0.28 -3.62 105.19 111.96 2daw n GLY 118 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.70 2daw n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2daw n THR 119 N 0.33 1.43 -3.92 2.61 -2.24 -1.24 -5.03 114.28 106.21 2daw n THR 119 Ca 0.12 -1.55 -0.28 0.00 -2.27 0.00 0.00 64.05 60.07 2daw n THR 119 Cb 0.58 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2daw n THR 119 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2daw s PHE 120 N -1.85 3.50 0.38 4.78 0.40 -1.24 -5.09 117.98 118.86 2daw s PHE 120 Ca 0.17 0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 56.46 2daw s PHE 120 Cb 0.14 -1.72 -0.10 0.00 0.51 0.00 0.00 43.02 41.85 2daw s PHE 120 CO 0.03 0.54 0.95 0.34 0.70 0.00 0.00 175.22 177.78 2daw s ASP 121 N -2.91 7.12 0.10 1.36 -1.08 -1.26 -5.01 116.67 114.99 2daw s ASP 121 Ca 0.35 1.75 -0.31 0.00 -0.52 0.00 0.00 52.55 53.82 2daw s ASP 121 Cb -0.12 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.71 2daw s ASP 121 CO 0.28 -0.23 1.37 -2.16 0.52 0.00 0.00 175.17 174.96 2daw s PRO 122 N -2.66 4.33 0.00 4.34 0.04 -1.26 -3.30 135.00 136.48 2daw s PRO 122 Ca 0.57 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2daw s PRO 122 Cb -0.13 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2daw s PRO 122 CO 0.18 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2daw n GLY 123 N 3.48 0.80 3.96 0.56 0.00 -1.26 -4.76 105.19 107.96 2daw n GLY 123 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2daw n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2daw s GLU 124 N -0.00 3.46 0.62 1.61 -1.05 -1.21 -4.76 118.70 117.36 2daw s GLU 124 Ca 0.00 -0.61 -0.17 0.00 -0.15 0.00 0.00 54.97 54.05 2daw s GLU 124 Cb 0.00 -2.84 -0.02 0.00 -0.44 0.00 0.00 34.13 30.83 2daw s GLU 124 CO 0.00 0.37 1.13 -0.51 0.95 0.00 0.00 175.26 177.19 2daw s LEU 125 N -3.93 3.53 0.00 1.83 1.43 -1.26 -4.63 118.68 115.65 2daw s LEU 125 Ca 0.36 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2daw s LEU 125 Cb -0.10 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.56 2daw s LEU 125 CO 0.31 -1.51 0.00 0.00 0.23 0.00 0.00 176.35 175.38 2daw h VAL 127 N 0.00 0.54 -0.52 0.00 3.04 -1.99 0.45 116.25 117.78 2daw h VAL 127 Ca 0.00 -0.13 0.15 0.00 -1.01 0.00 0.00 66.70 65.71 2daw h VAL 127 Cb 0.59 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.98 2daw h VAL 127 CO 0.00 0.07 0.44 0.00 -1.01 0.00 0.00 177.57 177.07 2daw h ALA 129 N 1.61 0.16 -0.60 0.00 0.00 -0.44 -3.35 119.26 116.64 2daw h ALA 129 Ca 0.24 -1.12 0.08 0.00 0.00 0.00 0.00 54.91 54.11 2daw h ALA 129 Cb 1.12 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 2daw h ALA 129 CO -0.00 1.03 0.26 0.00 0.00 0.00 0.00 179.25 180.54 2daw h ALA 130 N 0.19 0.78 0.10 0.00 0.00 -0.28 0.51 119.26 120.56 2daw h ALA 130 Ca -0.32 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2daw h ALA 130 Cb 2.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 2daw h ALA 130 CO 0.18 -0.13 -0.52 0.82 0.00 0.00 0.00 179.25 179.61 2daw h ILE 131 N 0.48 0.02 -0.56 0.00 2.04 -1.56 0.70 117.51 118.64 2daw h ILE 131 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2daw h ILE 131 Cb 0.29 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2daw h ILE 131 CO -0.25 0.00 0.37 -0.61 0.00 0.00 0.00 178.15 177.66 2daw h GLN 132 N -0.73 0.74 -0.85 2.37 5.75 -1.63 -1.88 115.11 118.88 2daw h GLN 132 Ca 0.00 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.60 2daw h GLN 132 Cb 0.75 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.07 2daw h GLN 132 CO -0.30 0.50 0.56 2.35 -2.65 0.00 0.00 178.83 179.29 2daw h TRP 133 N 0.76 0.74 0.36 3.99 7.01 -0.38 -1.99 115.95 126.45 2daw h TRP 133 Ca 0.20 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 2daw h TRP 133 Cb -0.08 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.75 2daw h TRP 133 CO -0.03 0.28 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.65 2daw h LEU 134 N 0.63 -0.41 -0.95 0.65 3.38 -0.19 -1.38 115.31 117.05 2daw h LEU 134 Ca 0.42 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.54 2daw h LEU 134 Cb 0.73 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.44 2daw h LEU 134 CO -0.18 -0.02 -0.44 1.56 0.09 0.00 0.00 178.44 179.45 2daw h GLN 135 N -1.03 -0.02 -0.21 1.13 4.20 -1.13 1.49 115.11 119.54 2daw h GLN 135 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2daw h GLN 135 Cb 0.37 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2daw h GLN 135 CO 0.08 -0.02 0.10 0.22 -0.67 0.00 0.00 178.83 178.54 2daw h ASP 136 N -0.03 0.28 -1.42 1.46 3.58 -1.48 -2.98 116.42 115.83 2daw h ASP 136 Ca 0.28 -0.13 -0.71 0.00 0.42 0.00 0.00 57.03 56.89 2daw h ASP 136 Cb 0.55 -0.07 -0.28 0.00 1.72 0.00 0.00 39.33 41.25 2daw h ASP 136 CO -0.94 0.33 0.95 0.59 -2.88 0.00 0.00 179.24 177.29 2daw n ASN 137 N -4.85 7.61 -0.09 2.28 3.02 0.43 -4.44 115.26 119.22 2daw n ASN 137 Ca -0.04 -3.79 -0.18 0.00 -0.03 0.00 0.00 54.58 50.54 2daw n ASN 137 Cb 0.10 -1.02 -0.06 0.00 -0.61 0.00 0.00 39.78 38.19 2daw n ASN 137 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2daw n SER 138 N -0.71 1.41 -0.11 6.41 2.88 0.48 -4.67 113.62 119.31 2daw n SER 138 Ca 0.58 0.24 -0.12 0.00 -1.33 0.00 0.00 58.87 58.25 2daw n SER 138 Cb 0.47 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 2daw n SER 138 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2daw h ALA 139 N -0.69 0.44 -0.90 -1.46 0.00 -1.78 -2.90 119.26 111.97 2daw h ALA 139 Ca -0.40 -0.30 0.26 0.00 0.00 0.00 0.00 54.91 54.48 2daw h ALA 139 Cb 1.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2daw h ALA 139 CO -0.24 0.28 1.12 0.77 0.00 0.00 0.00 179.25 181.18 2daw h SER 140 N 0.39 0.00 0.00 0.00 0.02 -1.83 0.42 113.55 112.55 2daw h SER 140 Ca 0.08 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2daw h SER 140 Cb 0.59 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2daw h SER 140 CO 0.03 0.00 -0.65 1.88 -1.14 0.00 0.00 176.83 176.96 2daw h TYR 141 N 0.00 0.00 -0.65 3.45 -1.99 -1.78 -3.37 116.97 112.63 2daw h TYR 141 Ca 0.43 0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.30 2daw h TYR 141 Cb 2.66 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 41.28 2daw h TYR 141 CO 0.00 1.03 0.01 0.74 -0.00 0.00 0.00 178.16 179.94 2daw h PHE 142 N -1.00 -0.03 0.00 4.88 -1.00 -0.22 -3.41 116.94 116.17 2daw h PHE 142 Ca -0.16 0.05 -0.58 0.00 2.81 0.00 0.00 57.97 60.09 2daw h PHE 142 Cb 1.00 0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.63 2daw h PHE 142 CO 0.11 -0.18 1.27 1.28 -1.61 0.00 0.00 178.31 179.19 2daw n LEU 143 N -5.29 0.50 -3.64 1.54 4.77 -0.67 -4.84 117.00 109.36 2daw n LEU 143 Ca 0.10 0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 56.44 2daw n LEU 143 Cb 0.38 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 2daw n LEU 143 CO 0.09 -0.65 0.78 0.21 -1.33 0.00 0.00 177.39 176.50 2daw s ASN 144 N 6.11 -0.41 0.66 -1.43 3.84 -1.26 -5.05 114.94 117.40 2daw s ASN 144 Ca 1.08 0.75 -0.17 0.00 0.21 0.00 0.00 52.86 54.73 2daw s ASN 144 Cb -1.21 0.87 -0.02 0.00 -0.55 0.00 0.00 41.25 40.34 2daw s ASN 144 CO 0.51 -0.13 1.05 -1.14 -2.79 0.00 0.00 177.10 174.61 2daw n ARG 145 N 2.52 0.81 -3.56 0.43 3.00 -1.26 -5.03 116.66 113.58 2daw n ARG 145 Ca -0.14 0.33 -0.16 0.00 -0.00 0.00 0.00 57.85 57.88 2daw n ARG 145 Cb 0.56 -2.28 -0.06 0.00 0.00 0.00 0.00 32.46 30.68 2daw n ARG 145 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2daw s LYS 146 N -3.12 0.92 -0.29 -0.14 2.20 -1.26 -5.14 119.74 112.91 2daw s LYS 146 Ca 0.77 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.77 2daw s LYS 146 Cb -0.38 0.44 0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2daw s LYS 146 CO 0.46 -0.25 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.02 2daw s LEU 147 N -0.80 3.71 0.00 5.43 0.20 -1.26 -5.08 118.68 120.88 2daw s LEU 147 Ca -0.07 -1.12 -0.30 0.00 0.69 0.00 0.00 54.13 53.33 2daw s LEU 147 Cb -0.01 -1.72 -0.05 0.00 -0.43 0.00 0.00 46.19 43.98 2daw s LEU 147 CO 0.06 -0.22 1.33 0.68 -0.29 0.00 0.00 176.35 177.91 2daw s VAL 148 N 1.30 3.85 0.03 1.68 -7.23 -1.26 -5.01 120.40 113.77 2daw s VAL 148 Ca -0.03 1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 61.21 2daw s VAL 148 Cb -0.19 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 32.98 2daw s VAL 148 CO -0.02 0.02 0.38 -0.55 -0.31 0.00 0.00 175.10 174.62 2daw s SER 149 N 1.63 -0.25 -0.35 4.85 0.15 -1.26 -5.13 113.70 113.34 2daw s SER 149 Ca 0.61 -0.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.20 2daw s SER 149 Cb -0.30 0.40 0.19 0.00 -1.71 0.00 0.00 66.02 64.61 2daw s SER 149 CO 0.26 -0.63 0.98 -0.83 1.20 0.00 0.00 173.24 174.22 2daw s GLY 150 N -1.92 -1.58 0.85 9.45 0.00 -1.26 -5.17 107.32 107.69 2daw s GLY 150 Ca -0.06 0.85 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 2daw s GLY 150 CO -0.02 4.18 1.09 2.56 0.00 0.00 0.00 173.10 180.91 2daw s PRO 151 N 1.63 1.63 0.54 2.90 0.04 -1.26 -5.07 135.00 135.41 2daw s PRO 151 Ca 0.18 0.95 0.07 0.00 0.04 0.00 0.00 61.00 62.24 2daw s PRO 151 Cb 0.04 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.79 2daw s PRO 151 CO -0.12 -2.02 0.56 -1.54 0.04 0.00 0.00 177.00 173.92 2daw s SER 152 N -3.41 4.88 0.34 6.66 1.04 -1.26 -5.15 113.70 116.80 2daw s SER 152 Ca 0.63 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 2daw s SER 152 Cb -0.18 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2daw s SER 152 CO 0.57 -1.15 0.54 -1.54 0.98 0.00 0.00 173.24 172.64 2daw n SER 153 N -1.94 -1.54 0.00 7.02 3.41 -1.26 -5.37 113.62 113.95 2daw n SER 153 Ca 0.06 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 2daw n SER 153 Cb 0.63 2.74 0.00 0.00 -0.26 0.00 0.00 64.21 67.31 2daw n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49