#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daw n SER 2 N 0.00 0.20 -4.13 1.61 3.41 -1.26 -5.10 113.62 108.36 2daw n SER 2 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2daw n SER 2 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2daw n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2daw n SER 3 N -2.51 -4.82 0.00 4.04 3.41 -1.26 -5.01 113.62 107.47 2daw n SER 3 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2daw n SER 3 Cb 0.15 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2daw n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daw n GLY 4 N 2.90 5.29 3.97 5.00 0.00 -1.26 -5.17 105.19 115.92 2daw n GLY 4 Ca 0.01 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 2daw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daw s SER 5 N 1.00 4.95 0.08 1.61 0.01 -1.26 -5.14 113.70 114.95 2daw s SER 5 Ca 0.00 -0.96 0.07 0.00 1.31 0.00 0.00 55.95 56.37 2daw s SER 5 Cb 0.00 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2daw s SER 5 CO 0.00 -1.14 -0.20 -0.44 0.41 0.00 0.00 173.24 171.88 2daw s SER 6 N -4.44 2.37 0.00 2.44 0.01 -1.26 -5.13 113.70 107.70 2daw s SER 6 Ca 0.49 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2daw s SER 6 Cb -0.04 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2daw s SER 6 CO 0.31 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2daw n GLY 7 N 1.29 1.93 3.38 3.44 0.00 -1.26 -5.04 105.19 108.93 2daw n GLY 7 Ca -0.19 -1.22 -0.45 0.00 0.00 0.00 0.00 46.02 44.15 2daw n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2daw s MET 8 N -1.98 3.95 -0.10 1.61 -2.45 -1.26 -4.95 119.30 114.12 2daw s MET 8 Ca 0.00 -2.70 -0.32 0.00 -1.25 0.00 0.00 55.69 51.42 2daw s MET 8 Cb 0.00 -4.69 0.12 0.00 1.25 0.00 0.00 34.83 31.51 2daw s MET 8 CO 0.00 -1.44 1.15 0.45 1.05 0.00 0.00 175.02 176.23 2daw s SER 9 N 2.18 -0.16 -0.14 1.11 0.15 -1.26 -5.16 113.70 110.42 2daw s SER 9 Ca 0.31 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 2daw s SER 9 Cb -0.08 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.41 2daw s SER 9 CO -0.07 -0.36 0.01 0.00 1.20 0.00 0.00 173.24 174.02 2daw s ALA 10 N -2.61 3.25 -0.16 5.45 0.00 -1.26 -5.05 121.76 121.39 2daw s ALA 10 Ca 0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2daw s ALA 10 Cb 0.00 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 2daw s ALA 10 CO -0.05 0.36 2.13 0.45 0.00 0.00 0.00 175.76 178.65 2daw n SER 11 N 2.96 3.38 -0.23 0.00 2.88 -1.26 -4.81 113.62 116.54 2daw n SER 11 Ca -0.18 0.47 0.18 0.00 -1.33 0.00 0.00 58.87 58.01 2daw n SER 11 Cb 0.53 -1.50 0.34 0.00 -0.75 0.00 0.00 64.21 62.82 2daw n SER 11 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2daw n VAL 12 N 6.91 -0.29 -0.31 2.46 0.31 -1.26 0.50 118.33 126.65 2daw n VAL 12 Ca 0.28 1.46 0.07 0.00 -0.01 0.00 0.00 64.34 66.14 2daw n VAL 12 Cb 0.40 -2.28 0.15 0.00 -0.91 0.00 0.00 33.84 31.20 2daw n VAL 12 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2daw n LYS 13 N -4.71 -0.08 0.24 5.55 5.02 -1.26 -0.11 118.16 122.82 2daw n LYS 13 Ca 0.23 1.34 -0.15 0.00 -2.02 0.00 0.00 58.31 57.71 2daw n LYS 13 Cb 0.77 -2.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 2daw n LYS 13 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2daw h GLU 14 N 0.00 -0.58 -0.40 1.97 3.07 -0.31 -0.59 114.58 117.73 2daw h GLU 14 Ca 0.44 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.42 2daw h GLU 14 Cb 0.72 0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 28.67 2daw h GLU 14 CO -0.88 -0.31 -0.22 0.77 -1.40 0.00 0.00 179.01 176.98 2daw h SER 15 N -0.78 -0.73 -0.67 1.42 0.02 -0.58 -0.98 113.55 111.24 2daw h SER 15 Ca -0.06 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2daw h SER 15 Cb 0.55 0.39 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 2daw h SER 15 CO 0.10 -0.25 0.44 -0.07 -1.14 0.00 0.00 176.83 175.92 2daw h LEU 16 N -0.14 0.76 -0.76 5.07 3.38 -0.59 -2.69 115.31 120.33 2daw h LEU 16 Ca 0.20 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.31 2daw h LEU 16 Cb 0.45 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.87 2daw h LEU 16 CO -0.49 0.54 -0.15 -0.61 0.09 0.00 0.00 178.44 177.82 2daw h GLN 17 N 0.90 0.01 0.00 1.13 -0.00 0.29 1.13 115.11 118.57 2daw h GLN 17 Ca 0.25 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.87 2daw h GLN 17 Cb -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 2daw h GLN 17 CO -0.06 0.01 -0.14 -0.07 0.00 0.00 0.00 178.83 178.56 2daw h LEU 18 N 0.01 0.00 0.00 -2.39 4.07 -1.17 -1.68 115.31 114.15 2daw h LEU 18 Ca 0.38 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.26 2daw h LEU 18 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2daw h LEU 18 CO -0.77 0.14 -0.53 1.56 -1.08 0.00 0.00 178.44 177.77 2daw h GLN 19 N 0.00 0.00 0.19 1.13 4.20 0.13 -2.66 115.11 118.09 2daw h GLN 19 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 2daw h GLN 19 Cb 0.36 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.16 2daw h GLN 19 CO 0.02 0.31 -1.46 -0.07 -0.67 0.00 0.00 178.83 176.95 2daw h LEU 20 N 0.00 0.61 -0.08 1.46 3.38 0.32 -3.22 115.31 117.79 2daw h LEU 20 Ca -0.02 -0.72 -0.18 0.00 0.09 0.00 0.00 57.88 57.05 2daw h LEU 20 Cb 1.28 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.84 2daw h LEU 20 CO 0.04 1.57 -0.65 0.17 0.09 0.00 0.00 178.44 179.67 2daw h LEU 21 N 0.11 0.70 -1.61 1.67 8.10 -1.45 -3.19 115.31 119.64 2daw h LEU 21 Ca -0.23 -0.68 0.09 0.00 0.11 0.00 0.00 57.88 57.17 2daw h LEU 21 Cb 2.08 -0.21 -0.04 0.00 -0.44 0.00 0.00 40.66 42.05 2daw h LEU 21 CO 0.22 1.27 0.40 1.05 -4.11 0.00 0.00 178.44 177.28 2daw h GLU 22 N 0.19 0.43 -0.23 0.17 4.11 -1.60 0.24 114.58 117.89 2daw h GLU 22 Ca -0.06 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.41 2daw h GLU 22 Cb 1.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2daw h GLU 22 CO 0.13 0.29 0.23 0.52 0.07 0.00 0.00 179.01 180.25 2daw h MET 23 N 0.45 0.00 0.00 1.06 2.86 -1.55 -0.14 114.93 117.61 2daw h MET 23 Ca 0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.85 2daw h MET 23 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2daw h MET 23 CO -0.08 0.00 -0.36 0.93 1.06 0.00 0.00 176.91 178.46 2daw h GLU 24 N 0.00 0.00 -0.02 1.72 4.39 -1.09 -3.02 114.58 116.56 2daw h GLU 24 Ca 0.11 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2daw h GLU 24 Cb 0.57 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2daw h GLU 24 CO -0.00 0.99 0.02 0.00 -1.16 0.00 0.00 179.01 178.86 2daw h MET 25 N -1.00 0.00 0.00 2.33 -0.00 -1.28 -2.24 114.93 112.75 2daw h MET 25 Ca -0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 2daw h MET 25 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 2daw h MET 25 CO -0.06 0.00 -0.13 -0.07 -0.00 0.00 0.00 176.91 176.65 2daw h LEU 26 N 0.00 0.11 0.15 -0.10 3.38 -1.14 -3.24 115.31 114.47 2daw h LEU 26 Ca 0.01 -0.80 0.02 0.00 0.09 0.00 0.00 57.88 57.20 2daw h LEU 26 Cb 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2daw h LEU 26 CO -0.00 0.90 -0.30 -0.26 0.09 0.00 0.00 178.44 178.87 2daw h PHE 27 N -0.66 -0.81 -0.90 1.13 0.04 -1.31 -2.12 116.94 112.32 2daw h PHE 27 Ca -0.02 0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.02 2daw h PHE 27 Cb 0.92 0.34 -0.15 0.00 2.20 0.00 0.00 35.95 39.25 2daw h PHE 27 CO 0.20 -0.41 0.22 1.03 -0.60 0.00 0.00 178.31 178.74 2daw h SER 28 N -0.54 -0.06 -0.98 2.17 0.87 -1.55 0.64 113.55 114.09 2daw h SER 28 Ca 0.02 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2daw h SER 28 Cb 0.55 0.30 -0.05 0.00 -0.44 0.00 0.00 62.40 62.77 2daw h SER 28 CO -0.15 -0.21 0.63 0.24 -0.53 0.00 0.00 176.83 176.81 2daw h MET 29 N 0.16 1.31 -4.06 2.24 2.86 -1.42 -3.35 114.93 112.67 2daw h MET 29 Ca 0.58 -0.09 -0.74 0.00 -2.06 0.00 0.00 59.70 57.38 2daw h MET 29 Cb 1.20 -0.29 -0.29 0.00 0.06 0.00 0.00 31.60 32.28 2daw h MET 29 CO -0.71 0.89 -0.26 -0.06 1.06 0.00 0.00 176.91 177.83 2daw s PHE 30 N -6.06 3.47 0.00 -0.22 0.08 0.22 -4.94 117.98 110.54 2daw s PHE 30 Ca -0.13 -1.93 -0.24 0.00 0.12 0.00 0.00 56.93 54.75 2daw s PHE 30 Cb 0.18 -3.57 -0.18 0.00 -0.57 0.00 0.00 43.02 38.87 2daw s PHE 30 CO 0.82 -0.98 1.30 -1.00 -0.10 0.00 0.00 175.22 175.26 2daw h PRO 31 N 8.17 0.13 -5.71 0.24 0.13 -1.71 -3.43 132.00 129.83 2daw h PRO 31 Ca -0.13 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.37 2daw h PRO 31 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2daw h PRO 31 CO 0.85 0.58 1.56 0.09 -0.23 0.00 0.00 178.00 180.85 2daw n ASN 32 N -4.75 2.10 -4.72 1.44 3.02 -1.26 -4.86 115.26 106.24 2daw n ASN 32 Ca -0.08 0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 2daw n ASN 32 Cb 0.29 -1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 2daw n ASN 32 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2daw n GLN 33 N 8.62 2.80 0.00 3.52 7.27 -1.26 -3.05 117.38 135.27 2daw n GLN 33 Ca 0.42 1.01 0.00 0.00 0.07 0.00 0.00 57.00 58.50 2daw n GLN 33 Cb 0.35 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 30.13 2daw n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2daw n GLY 34 N 4.01 3.49 0.40 1.69 0.00 -1.26 -4.98 105.19 108.53 2daw n GLY 34 Ca 0.16 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 2daw n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2daw h GLU 35 N 0.00 -0.03 -6.13 1.61 5.08 -1.89 -3.29 114.58 109.92 2daw h GLU 35 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2daw h GLU 35 Cb 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 2daw h GLU 35 CO 0.00 -0.02 0.81 0.08 -1.00 0.00 0.00 179.01 178.88 2daw s VAL 36 N -5.80 4.09 -0.60 3.13 1.01 -1.25 -3.14 120.40 117.83 2daw s VAL 36 Ca -0.13 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 2daw s VAL 36 Cb 0.17 -4.72 0.05 0.00 0.00 0.00 0.00 36.38 31.88 2daw s VAL 36 CO 0.68 -1.44 0.95 -0.54 0.00 0.00 0.00 175.10 174.75 2daw s LYS 37 N 4.74 3.22 -0.58 2.72 1.02 -0.24 -4.89 119.74 125.74 2daw s LYS 37 Ca 0.34 -0.53 -0.24 0.00 0.02 0.00 0.00 55.97 55.57 2daw s LYS 37 Cb -0.11 -4.13 0.05 0.00 -0.52 0.00 0.00 37.83 33.12 2daw s LYS 37 CO 0.18 -1.63 0.93 -0.51 -0.92 0.00 0.00 175.35 173.40 2daw s LEU 38 N 4.00 4.20 0.37 3.17 1.43 -1.26 -2.14 118.68 128.45 2daw s LEU 38 Ca 0.26 -0.53 0.17 0.00 -1.03 0.00 0.00 54.13 53.01 2daw s LEU 38 Cb -0.14 -2.71 1.13 0.00 0.03 0.00 0.00 46.19 44.50 2daw s LEU 38 CO 0.15 -1.27 1.68 -0.33 0.23 0.00 0.00 176.35 176.81 2daw h GLU 39 N 9.36 0.31 -3.49 1.70 4.39 -1.94 -3.35 114.58 121.56 2daw h GLU 39 Ca -0.27 -0.02 -0.44 0.00 0.34 0.00 0.00 59.36 58.97 2daw h GLU 39 Cb 1.07 -0.07 -0.39 0.00 -0.10 0.00 0.00 28.75 29.26 2daw h GLU 39 CO 1.10 0.20 -0.76 0.16 -1.16 0.00 0.00 179.01 178.56 2daw s ASP 40 N -4.91 1.89 0.32 1.42 1.47 -1.26 -5.01 116.67 110.58 2daw s ASP 40 Ca -0.09 -0.29 0.06 0.00 1.18 0.00 0.00 52.55 53.41 2daw s ASP 40 Cb 0.29 -0.38 0.53 0.00 -0.34 0.00 0.00 42.92 43.02 2daw s ASP 40 CO 0.80 -0.25 1.76 -0.37 0.68 0.00 0.00 175.17 177.79 2daw h VAL 41 N 6.40 1.26 -0.21 2.11 -1.51 -2.00 -2.62 116.25 119.69 2daw h VAL 41 Ca -0.17 -1.26 -0.10 0.00 -1.23 0.00 0.00 66.70 63.95 2daw h VAL 41 Cb 1.13 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 31.70 2daw h VAL 41 CO 0.26 0.38 0.12 0.59 -1.23 0.00 0.00 177.57 177.69 2daw n ASN 42 N -4.12 2.97 0.04 4.19 3.02 -1.26 -3.96 115.26 116.15 2daw n ASN 42 Ca -0.01 -2.33 -0.22 0.00 -0.03 0.00 0.00 54.58 51.99 2daw n ASN 42 Cb 0.40 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 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 1.90 0.13 0.04 5.41 0.00 -1.82 -3.28 119.26 121.63 2daw h ALA 43 Ca 0.12 -1.07 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 2daw h ALA 43 Cb 1.31 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2daw h ALA 43 CO 0.22 0.86 -0.02 -0.07 0.00 0.00 0.00 179.25 180.25 2daw h LEU 44 N -0.13 -0.04 -0.18 0.00 3.38 -1.81 -3.14 115.31 113.38 2daw h LEU 44 Ca -0.31 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.20 2daw h LEU 44 Cb 1.90 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.61 2daw h LEU 44 CO 0.12 0.48 -0.38 0.74 0.09 0.00 0.00 178.44 179.49 2daw h THR 45 N -0.59 0.00 -0.50 0.22 2.02 -1.80 -1.96 112.91 110.30 2daw h THR 45 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2daw h THR 45 Cb 0.53 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 2daw h THR 45 CO 0.01 0.00 -0.41 0.78 0.37 0.00 0.00 175.52 176.27 2daw h ASN 46 N -0.35 -1.43 -1.00 4.18 2.35 -1.68 -1.23 115.58 116.43 2daw h ASN 46 Ca 0.04 0.20 0.11 0.00 -0.55 0.00 0.00 56.30 56.10 2daw h ASN 46 Cb 0.45 0.61 -0.13 0.00 0.05 0.00 0.00 38.32 39.29 2daw h ASN 46 CO -0.36 -0.22 -0.53 0.40 -1.65 0.00 0.00 177.43 175.07 2daw h ILE 47 N -0.14 0.00 -0.90 2.81 2.04 -1.42 0.56 117.51 120.47 2daw h ILE 47 Ca 0.08 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.19 2daw h ILE 47 Cb 0.35 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.29 2daw h ILE 47 CO -0.54 0.00 0.25 0.11 0.00 0.00 0.00 178.15 177.97 2daw h LYS 48 N -0.00 0.19 -0.82 2.37 1.57 -0.48 0.45 116.57 119.85 2daw h LYS 48 Ca 0.22 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2daw h LYS 48 Cb 0.47 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2daw h LYS 48 CO -0.96 0.13 0.54 0.00 -0.57 0.00 0.00 179.45 178.59 2daw h ARG 49 N 0.20 1.05 -0.62 3.15 2.47 0.63 -2.48 114.38 118.77 2daw h ARG 49 Ca 0.57 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 59.30 2daw h ARG 49 Cb 1.18 -0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 29.21 2daw h ARG 49 CO -0.67 0.70 0.30 -0.92 0.56 0.00 0.00 179.97 179.93 2daw h TYR 50 N 1.08 0.54 -0.89 3.04 3.20 0.53 -1.51 116.97 122.96 2daw h TYR 50 Ca 0.31 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.34 2daw h TYR 50 Cb -0.08 -0.15 -0.09 0.00 1.54 0.00 0.00 36.73 37.95 2daw h TYR 50 CO -0.02 0.21 0.51 -0.07 -1.64 0.00 0.00 178.16 177.15 2daw h LEU 51 N 0.54 0.68 -1.88 2.82 3.38 -1.06 0.19 115.31 119.99 2daw h LEU 51 Ca 0.29 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 2daw h LEU 51 Cb 0.27 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2daw h LEU 51 CO -0.23 0.33 -0.13 -0.08 0.09 0.00 0.00 178.44 178.43 2daw h GLU 52 N 0.77 0.00 0.00 1.13 4.22 -1.21 -3.46 114.58 116.03 2daw h GLU 52 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.90 2daw h GLU 52 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2daw h GLU 52 CO -0.31 0.13 0.00 0.41 -2.18 0.00 0.00 179.01 177.06 2daw n GLY 53 N -0.94 3.03 0.46 1.92 0.00 0.67 -4.89 105.19 105.44 2daw n GLY 53 Ca -0.02 -0.40 0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.23 -3.87 2.61 5.66 -1.26 -3.47 114.28 113.73 2daw n THR 54 Ca 0.00 1.68 -0.36 0.00 -3.05 0.00 0.00 64.05 62.33 2daw n THR 54 Cb 0.00 -2.76 -0.13 0.00 -1.55 0.00 0.00 70.33 65.88 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 -5.13 2.45 -0.07 1.09 3.52 -1.26 -4.98 118.95 114.57 2daw s ARG 55 Ca -0.07 -1.27 -0.26 0.00 -0.13 0.00 0.00 55.73 54.00 2daw s ARG 55 Cb 0.29 -3.26 -0.22 0.00 -1.56 0.00 0.00 34.95 30.21 2daw s ARG 55 CO 0.77 -0.65 1.02 1.49 -0.81 0.00 0.00 175.30 177.12 2daw h GLU 56 N 8.05 -0.02 -5.46 5.12 4.81 -1.90 -3.39 114.58 121.78 2daw h GLU 56 Ca -0.21 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.28 2daw h GLU 56 Cb 1.06 0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.48 2daw h GLU 56 CO 0.55 0.65 0.23 0.00 -0.73 0.00 0.00 179.01 179.71 2daw n ALA 57 N -2.48 -2.73 -1.68 2.92 0.00 -1.26 -4.73 120.51 110.55 2daw n ALA 57 Ca -0.09 0.52 -0.46 0.00 0.00 0.00 0.00 53.44 53.41 2daw n ALA 57 Cb 0.34 -1.64 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 2daw n ALA 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2daw n LEU 58 N 2.05 3.64 -4.77 0.00 -0.00 -1.26 -4.94 117.00 111.72 2daw n LEU 58 Ca 0.21 0.97 -0.31 0.00 -0.00 0.00 0.00 56.01 56.88 2daw n LEU 58 Cb 0.03 -1.43 0.08 0.00 -0.00 0.00 0.00 43.42 42.10 2daw n LEU 58 CO 0.63 0.01 0.71 -2.16 -0.00 0.00 0.00 177.39 176.58 2daw s PRO 59 N 3.69 2.39 0.22 1.96 0.04 -1.26 -4.99 135.00 137.04 2daw s PRO 59 Ca 0.89 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 2daw s PRO 59 Cb -0.61 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 2daw s PRO 59 CO 0.46 -1.55 1.29 -1.25 0.04 0.00 0.00 177.00 176.00 2daw s PRO 60 N -4.72 4.41 1.27 0.56 0.04 -1.26 -4.96 135.00 130.33 2daw s PRO 60 Ca 0.62 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.52 2daw s PRO 60 Cb -0.18 -3.18 0.31 0.00 0.04 0.00 0.00 34.50 31.49 2daw s PRO 60 CO 0.53 -0.21 1.02 -1.59 0.04 0.00 0.00 177.00 176.79 2daw s LYS 61 N -0.39 -1.73 -0.46 4.56 -2.85 -1.26 -4.72 119.74 112.88 2daw s LYS 61 Ca 0.55 0.22 -0.11 0.00 -1.00 0.00 0.00 55.97 55.63 2daw s LYS 61 Cb -0.36 -1.51 0.10 0.00 -2.06 0.00 0.00 37.83 33.99 2daw s LYS 61 CO 0.40 -4.11 0.35 0.42 0.10 0.00 0.00 175.35 172.50 2daw s ILE 62 N -2.61 4.57 -0.09 3.79 1.01 -1.23 -4.93 121.20 121.70 2daw s ILE 62 Ca 0.69 -1.45 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2daw s ILE 62 Cb -0.15 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.47 2daw s ILE 62 CO 0.59 -0.65 -0.20 -0.70 0.00 0.00 0.00 174.94 173.98 2daw s GLU 63 N 1.48 2.56 0.38 2.79 2.12 -1.26 -2.43 118.70 124.33 2daw s GLU 63 Ca 0.04 -0.71 -0.15 0.00 0.36 0.00 0.00 54.97 54.51 2daw s GLU 63 Cb -0.25 -1.99 0.05 0.00 0.26 0.00 0.00 34.13 32.20 2daw s GLU 63 CO 0.02 0.11 0.76 -0.59 -0.54 0.00 0.00 175.26 175.02 2daw s PHE 64 N 0.51 0.17 -0.09 5.30 -0.71 -1.00 -3.30 117.98 118.86 2daw s PHE 64 Ca -0.16 -0.81 0.04 0.00 -1.04 0.00 0.00 56.93 54.96 2daw s PHE 64 Cb -0.17 0.77 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 2daw s PHE 64 CO 0.06 -1.53 -0.22 0.08 -1.34 0.00 0.00 175.22 172.27 2daw s VAL 65 N -2.44 1.89 -0.21 -2.49 1.01 -0.91 -1.14 120.40 116.12 2daw s VAL 65 Ca 0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 2daw s VAL 65 Cb -0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2daw s VAL 65 CO 0.12 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 175.15 2daw s ILE 66 N 0.29 4.28 -0.49 2.22 1.01 0.62 -1.08 121.20 128.05 2daw s ILE 66 Ca -0.15 -0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.03 2daw s ILE 66 Cb -0.17 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.38 2daw s ILE 66 CO 0.07 0.41 1.05 -0.89 0.00 0.00 0.00 174.94 175.58 2daw s THR 67 N 1.00 4.30 -0.96 2.92 2.01 -1.19 -1.74 115.64 121.99 2daw s THR 67 Ca 0.03 0.90 -0.24 0.00 0.31 0.00 0.00 61.69 62.69 2daw s THR 67 Cb -0.14 -4.55 0.03 0.00 0.01 0.00 0.00 72.50 67.85 2daw s THR 67 CO 0.02 -1.01 1.49 -0.76 -0.69 0.00 0.00 174.62 173.68 2daw s LEU 68 N 4.21 3.41 -1.03 4.42 2.01 -1.01 -4.91 118.68 125.78 2daw s LEU 68 Ca 0.41 -1.17 -0.22 0.00 0.01 0.00 0.00 54.13 53.16 2daw s LEU 68 Cb -0.09 -2.57 -0.11 0.00 0.01 0.00 0.00 46.19 43.44 2daw s LEU 68 CO 0.28 -1.73 1.92 1.67 1.01 0.00 0.00 176.35 179.50 2daw n GLN 69 N 8.97 1.64 -1.60 1.70 -0.06 -1.26 -3.82 117.38 122.95 2daw n GLN 69 Ca 0.29 -2.27 -0.30 0.00 -2.00 0.00 0.00 57.00 52.72 2daw n GLN 69 Cb 0.50 -3.41 -0.04 0.00 -4.06 0.00 0.00 30.24 23.23 2daw n GLN 69 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2daw s ILE 70 N 8.41 3.04 0.12 1.69 -1.09 -1.22 -4.83 121.20 127.32 2daw s ILE 70 Ca 0.63 0.00 -0.23 0.00 -2.23 0.00 0.00 60.65 58.83 2daw s ILE 70 Cb 0.05 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 2daw s ILE 70 CO 0.13 -0.09 1.21 -0.62 -1.23 0.00 0.00 174.94 174.33 2daw n GLU 71 N 8.97 -0.33 -3.70 2.79 1.02 -1.26 -3.34 120.64 124.80 2daw n GLU 71 Ca 0.39 1.18 -0.12 0.00 -0.02 0.00 0.00 57.16 58.59 2daw n GLU 71 Cb 0.51 -1.74 -0.12 0.00 -0.02 0.00 0.00 31.44 30.07 2daw n GLU 71 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2daw s GLU 72 N -5.23 0.26 0.56 3.49 2.12 -1.26 -3.16 118.70 115.49 2daw s GLU 72 Ca -0.09 0.71 -0.19 0.00 0.36 0.00 0.00 54.97 55.76 2daw s GLU 72 Cb 0.08 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.40 2daw s GLU 72 CO 0.46 -0.20 1.13 -1.25 -0.54 0.00 0.00 175.26 174.86 2daw s PRO 73 N 1.71 3.27 -0.62 4.30 0.04 -1.26 -4.67 135.00 137.76 2daw s PRO 73 Ca -0.06 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.28 2daw s PRO 73 Cb -0.10 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2daw s PRO 73 CO -0.10 -0.91 1.72 0.21 0.04 0.00 0.00 177.00 177.95 2daw s LYS 74 N -3.42 2.80 0.00 4.56 2.20 -1.19 -4.63 119.74 120.07 2daw s LYS 74 Ca 0.72 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.72 2daw s LYS 74 Cb -0.23 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.76 2daw s LYS 74 CO 0.29 -2.54 0.13 0.14 -0.36 0.00 0.00 175.35 173.02 2daw s VAL 75 N 8.16 0.08 -0.26 4.02 -7.23 -1.23 -5.04 120.40 118.91 2daw s VAL 75 Ca 0.60 -0.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.97 2daw s VAL 75 Cb -0.12 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 2daw s VAL 75 CO 0.20 -0.38 0.26 -0.75 -0.31 0.00 0.00 175.10 174.13 2daw s LYS 76 N -1.36 4.03 -0.32 4.82 2.20 -1.26 -3.39 119.74 124.46 2daw s LYS 76 Ca -0.14 -0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.36 2daw s LYS 76 Cb -0.08 -3.61 0.09 0.00 -1.51 0.00 0.00 37.83 32.73 2daw s LYS 76 CO 0.01 -0.12 0.03 0.42 -0.36 0.00 0.00 175.35 175.33 2daw s ILE 77 N 1.60 2.14 -0.52 5.43 1.01 -1.25 -4.47 121.20 125.15 2daw s ILE 77 Ca 0.11 -2.16 -0.27 0.00 0.00 0.00 0.00 60.65 58.32 2daw s ILE 77 Cb -0.15 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2daw s ILE 77 CO 0.09 -0.52 1.76 -1.81 0.00 0.00 0.00 174.94 174.46 2daw s ASP 78 N 0.99 5.61 -0.41 3.58 1.11 -1.07 -2.41 116.67 124.07 2daw s ASP 78 Ca 0.08 0.61 -0.19 0.00 0.18 0.00 0.00 52.55 53.23 2daw s ASP 78 Cb -0.19 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.29 2daw s ASP 78 CO -0.09 -2.06 0.52 -0.22 1.18 0.00 0.00 175.17 174.50 2daw s LEU 79 N 7.90 4.63 -0.78 1.23 2.96 -0.71 -2.21 118.68 131.70 2daw s LEU 79 Ca 0.68 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.95 2daw s LEU 79 Cb -0.15 -2.54 0.09 0.00 0.50 0.00 0.00 46.19 44.09 2daw s LEU 79 CO 0.25 -0.62 1.07 -1.10 -1.32 0.00 0.00 176.35 174.63 2daw s GLN 80 N 2.41 3.31 0.11 1.98 -0.21 0.47 -0.28 119.66 127.46 2daw s GLN 80 Ca 0.17 -1.13 -0.12 0.00 0.02 0.00 0.00 55.36 54.30 2daw s GLN 80 Cb -0.16 -4.54 -0.06 0.00 1.00 0.00 0.00 33.01 29.25 2daw s GLN 80 CO 0.15 -1.85 0.48 0.54 -2.12 0.00 0.00 175.29 172.49 2daw s VAL 81 N 3.78 4.96 -0.06 1.09 0.11 -0.29 -2.67 120.40 127.31 2daw s VAL 81 Ca 0.28 0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 59.98 2daw s VAL 81 Cb -0.11 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.08 2daw s VAL 81 CO 0.02 0.27 0.12 -0.89 -3.33 0.00 0.00 175.10 171.29 2daw s THR 82 N -1.42 -0.18 -0.48 5.04 2.01 -1.12 -2.37 115.64 117.12 2daw s THR 82 Ca 0.35 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 2daw s THR 82 Cb -0.15 -0.23 0.12 0.00 0.01 0.00 0.00 72.50 72.26 2daw s THR 82 CO 0.18 0.15 0.31 -0.04 -0.69 0.00 0.00 174.62 174.53 2daw s MET 83 N 2.12 2.30 1.06 4.92 -1.94 -1.02 -3.53 119.30 123.21 2daw s MET 83 Ca 0.02 -1.92 -0.14 0.00 -1.71 0.00 0.00 55.69 51.94 2daw s MET 83 Cb -0.12 -3.76 0.22 0.00 2.01 0.00 0.00 34.83 33.18 2daw s MET 83 CO -0.05 -1.14 1.10 -1.25 -0.01 0.00 0.00 175.02 173.67 2daw s PRO 84 N 1.02 -0.04 0.27 2.03 0.04 -1.26 -3.53 135.00 133.53 2daw s PRO 84 Ca 0.09 0.36 0.18 0.00 0.04 0.00 0.00 61.00 61.66 2daw s PRO 84 Cb -0.23 -1.70 0.98 0.00 0.04 0.00 0.00 34.50 33.59 2daw s PRO 84 CO -0.03 -3.01 1.54 0.72 0.04 0.00 0.00 177.00 176.26 2daw n HIS 85 N -4.35 0.61 -0.04 0.56 8.25 -1.26 -2.78 115.22 116.21 2daw n HIS 85 Ca 0.07 0.32 -0.02 0.00 -0.26 0.00 0.00 57.72 57.83 2daw n HIS 85 Cb 0.58 -1.00 -0.01 0.00 1.12 0.00 0.00 29.99 30.68 2daw n HIS 85 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2daw h SER 86 N 0.00 0.00 -1.06 0.41 0.02 -1.94 -3.43 113.55 107.55 2daw h SER 86 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 2daw h SER 86 Cb 0.03 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.67 2daw h SER 86 CO 0.00 0.46 -0.60 0.00 -1.14 0.00 0.00 176.83 175.55 2daw n TYR 87 N -3.89 -1.32 0.23 3.45 4.19 -1.12 -2.46 117.16 116.25 2daw n TYR 87 Ca -0.03 0.41 0.11 0.00 3.31 0.00 0.00 57.90 61.70 2daw n TYR 87 Cb 0.12 -1.15 0.54 0.00 0.49 0.00 0.00 39.34 39.34 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 0.22 0.00 -0.68 2.98 0.13 -1.81 -3.42 132.00 129.41 2daw h PRO 88 Ca -0.23 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.05 2daw h PRO 88 Cb 0.93 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.93 2daw h PRO 88 CO 0.30 0.19 -0.10 0.66 -0.23 0.00 0.00 178.00 178.83 2daw n TYR 89 N -3.43 0.32 -3.65 1.56 4.02 -1.03 -4.18 117.16 110.77 2daw n TYR 89 Ca -0.00 0.83 -0.33 0.00 -0.01 0.00 0.00 57.90 58.39 2daw n TYR 89 Cb 0.38 -0.94 -0.05 0.00 -0.02 0.00 0.00 39.34 38.71 2daw n TYR 89 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2daw s LEU 90 N -10.07 4.30 -0.74 7.72 0.20 -1.25 -4.41 118.68 114.43 2daw s LEU 90 Ca -0.10 0.64 -0.26 0.00 0.69 0.00 0.00 54.13 55.11 2daw s LEU 90 Cb 0.19 -3.17 -0.03 0.00 -0.43 0.00 0.00 46.19 42.75 2daw s LEU 90 CO 0.53 0.10 1.91 0.00 -0.29 0.00 0.00 176.35 178.60 2daw s ALA 91 N -1.56 1.93 0.97 5.97 0.00 -1.26 -3.98 121.76 123.82 2daw s ALA 91 Ca 0.38 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 2daw s ALA 91 Cb -0.13 -4.42 0.05 0.00 0.00 0.00 0.00 23.12 18.63 2daw s ALA 91 CO 0.22 -4.32 -0.20 1.47 0.00 0.00 0.00 175.76 172.93 2daw n LEU 92 N 13.38 -2.04 -4.20 0.00 -0.00 -1.26 -4.98 117.00 117.90 2daw n LEU 92 Ca 0.29 -0.19 -0.33 0.00 -0.00 0.00 0.00 56.01 55.79 2daw n LEU 92 Cb 0.50 -0.72 -0.16 0.00 -0.00 0.00 0.00 43.42 43.03 2daw n LEU 92 CO 0.66 -2.88 -0.53 -1.10 -0.00 0.00 0.00 177.39 173.54 2daw s GLN 93 N -2.96 3.07 -0.08 1.47 -0.21 -1.23 -5.04 119.66 114.68 2daw s GLN 93 Ca 0.36 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.95 2daw s GLN 93 Cb -0.03 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.52 2daw s GLN 93 CO 0.44 0.02 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.93 2daw s LEU 94 N 0.74 1.92 -0.12 2.90 1.43 -1.26 -2.81 118.68 121.48 2daw s LEU 94 Ca -0.08 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2daw s LEU 94 Cb -0.16 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 44.96 2daw s LEU 94 CO 0.00 0.13 0.07 0.12 0.23 0.00 0.00 176.35 176.89 2daw s PHE 95 N 0.34 0.29 -0.13 0.29 2.19 -1.09 -4.92 117.98 114.94 2daw s PHE 95 Ca -0.14 -0.18 -0.01 0.00 0.33 0.00 0.00 56.93 56.93 2daw s PHE 95 Cb -0.16 -0.67 -0.02 0.00 -1.31 0.00 0.00 43.02 40.86 2daw s PHE 95 CO 0.06 -0.40 -0.11 0.20 1.83 0.00 0.00 175.22 176.79 2daw s GLY 96 N 2.10 1.58 -0.04 13.12 0.00 -1.26 -0.39 107.32 122.42 2daw s GLY 96 Ca 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2daw s GLY 96 CO -0.07 -0.18 -0.14 1.09 0.00 0.00 0.00 173.10 173.81 2daw s ARG 97 N 0.33 1.58 0.10 2.90 1.70 -0.94 -4.95 118.95 119.66 2daw s ARG 97 Ca -0.09 -0.50 -0.02 0.00 -0.47 0.00 0.00 55.73 54.65 2daw s ARG 97 Cb -0.15 -1.37 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 2daw s ARG 97 CO 0.05 0.17 0.04 0.45 -1.08 0.00 0.00 175.30 174.93 2daw s SER 98 N 0.21 0.35 0.13 -2.89 0.15 -1.26 -2.61 113.70 107.79 2daw s SER 98 Ca -0.06 -1.09 -0.24 0.00 0.70 0.00 0.00 55.95 55.26 2daw s SER 98 Cb -0.12 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2daw s SER 98 CO 0.02 -0.69 1.64 0.28 1.20 0.00 0.00 173.24 175.69 2daw h SER 99 N 2.95 -0.73 -0.02 5.45 0.02 -2.02 -2.63 113.55 116.57 2daw h SER 99 Ca -0.34 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2daw h SER 99 Cb 1.18 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 64.00 2daw h SER 99 CO 0.61 -0.29 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.50 2daw h GLU 100 N -0.33 -0.26 -6.18 3.45 4.39 -1.97 -3.39 114.58 110.29 2daw h GLU 100 Ca 0.09 0.02 -0.56 0.00 0.34 0.00 0.00 59.36 59.24 2daw h GLU 100 Cb 0.45 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2daw h GLU 100 CO -0.28 -0.17 0.86 -0.51 -1.16 0.00 0.00 179.01 177.75 2daw s LEU 101 N -10.34 4.20 0.00 1.33 1.43 -0.99 -4.89 118.68 109.42 2daw s LEU 101 Ca -0.15 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2daw s LEU 101 Cb 0.09 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2daw s LEU 101 CO 0.67 -0.72 0.00 -0.67 0.23 0.00 0.00 176.35 175.85 2daw n ASP 102 N 6.30 0.00 0.00 2.29 2.03 -1.26 -3.99 116.55 121.92 2daw n ASP 102 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2daw n ASP 102 Cb 0.45 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2daw n ASP 102 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2daw n ARG 103 N -2.34 0.00 -0.20 -0.67 0.63 -1.26 -4.67 116.66 108.15 2daw n ARG 103 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2daw n ARG 103 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 2daw n ARG 103 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2daw h HIS 104 N 0.00 0.73 0.37 -0.14 2.76 -1.98 -1.99 115.15 114.90 2daw h HIS 104 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2daw h HIS 104 Cb 0.00 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 2daw h HIS 104 CO 0.00 0.46 -0.28 1.96 -1.30 0.00 0.00 177.93 178.77 2daw h GLN 105 N 0.78 -0.63 0.17 5.26 1.08 -1.90 -2.80 115.11 117.08 2daw h GLN 105 Ca 0.21 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2daw h GLN 105 Cb -0.09 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2daw h GLN 105 CO -0.05 -0.42 -0.42 1.96 -0.95 0.00 0.00 178.83 178.96 2daw h GLN 106 N -0.65 -0.62 -0.78 1.46 4.20 -1.80 -2.56 115.11 114.35 2daw h GLN 106 Ca -0.03 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2daw h GLN 106 Cb 0.56 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 28.36 2daw h GLN 106 CO -0.00 -0.42 -0.35 1.28 -0.67 0.00 0.00 178.83 178.68 2daw n LEU 107 N -4.84 -0.59 -0.20 1.46 4.77 -0.76 0.13 117.00 116.97 2daw n LEU 107 Ca -0.07 1.37 0.01 0.00 -0.03 0.00 0.00 56.01 57.29 2daw n LEU 107 Cb 0.34 -0.28 0.11 0.00 -2.33 0.00 0.00 43.42 41.25 2daw n LEU 107 CO 0.14 -1.20 0.86 -0.07 -1.33 0.00 0.00 177.39 175.79 2daw h LEU 108 N 0.00 -0.18 0.49 2.23 3.38 -1.19 0.37 115.31 120.41 2daw h LEU 108 Ca 0.23 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2daw h LEU 108 Cb 0.43 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2daw h LEU 108 CO -0.77 -0.08 -0.23 0.25 0.09 0.00 0.00 178.44 177.70 2daw h LEU 109 N 0.16 -0.55 0.02 1.67 5.85 0.14 -3.02 115.31 119.57 2daw h LEU 109 Ca 0.32 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2daw h LEU 109 Cb 0.51 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 2daw h LEU 109 CO -0.49 -0.16 -0.37 0.78 -0.34 0.00 0.00 178.44 177.85 2daw h ASN 110 N -1.03 -1.15 -0.97 1.25 -0.26 0.03 0.23 115.58 113.68 2daw h ASN 110 Ca -0.07 0.13 0.40 0.00 -0.56 0.00 0.00 56.30 56.20 2daw h ASN 110 Cb 0.59 0.43 -0.17 0.00 -1.06 0.00 0.00 38.32 38.11 2daw h ASN 110 CO 0.11 -0.37 0.51 1.17 -1.06 0.00 0.00 177.43 177.78 2daw n LYS 111 N -4.56 -0.06 -0.03 0.81 4.81 0.13 0.40 118.16 119.65 2daw n LYS 111 Ca -0.05 1.34 -0.14 0.00 -0.87 0.00 0.00 58.31 58.59 2daw n LYS 111 Cb 0.28 -2.40 -0.10 0.00 0.02 0.00 0.00 35.03 32.83 2daw n LYS 111 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2daw h GLY 112 N 0.00 0.21 0.73 3.14 0.00 -1.04 -2.75 103.07 103.36 2daw h GLY 112 Ca 0.82 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 2daw h GLY 112 CO -0.75 0.25 -0.27 -2.00 0.00 0.00 0.00 176.54 173.78 2daw h LEU 113 N -0.36 -0.63 -0.63 3.11 5.85 0.18 0.14 115.31 122.98 2daw h LEU 113 Ca -0.01 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.79 2daw h LEU 113 Cb 0.80 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 2daw h LEU 113 CO 0.03 -0.27 -0.17 0.71 -0.34 0.00 0.00 178.44 178.40 2daw h THR 114 N -1.03 0.36 -0.49 1.05 1.35 -0.20 0.20 112.91 114.16 2daw h THR 114 Ca -0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.68 2daw h THR 114 Cb 0.64 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 2daw h THR 114 CO 0.12 0.00 -0.10 -1.28 -0.25 0.00 0.00 175.52 174.02 2daw h SER 115 N -0.01 0.93 -0.78 5.36 0.87 -1.50 0.87 113.55 119.29 2daw h SER 115 Ca 0.30 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2daw h SER 115 Cb 0.47 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 2daw h SER 115 CO -0.65 1.07 0.49 0.22 -0.53 0.00 0.00 176.83 177.42 2daw h TYR 116 N 0.78 0.91 0.08 2.24 3.20 0.12 -2.57 116.97 121.72 2daw h TYR 116 Ca 0.13 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.75 2daw h TYR 116 Cb 0.65 -0.30 0.02 0.00 1.54 0.00 0.00 36.73 38.64 2daw h TYR 116 CO 0.05 0.50 -1.15 0.82 -1.64 0.00 0.00 178.16 176.74 2daw h ILE 117 N 0.93 1.35 -0.79 1.81 1.08 -0.58 -3.24 117.51 118.07 2daw h ILE 117 Ca 0.33 -2.53 0.23 0.00 -0.39 0.00 0.00 64.86 62.49 2daw h ILE 117 Cb 0.08 2.63 -0.03 0.00 -3.07 0.00 0.00 36.82 36.43 2daw h ILE 117 CO -0.14 0.76 0.64 1.23 -0.69 0.00 0.00 178.15 179.96 2daw h GLY 118 N 0.76 0.00 0.86 5.37 0.00 -0.42 0.25 103.07 109.90 2daw h GLY 118 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2daw h GLY 118 CO 0.21 0.00 -0.08 -0.91 0.00 0.00 0.00 176.54 175.76 2daw h THR 119 N 0.00 1.29 -1.38 4.70 1.35 -1.54 -3.45 112.91 113.88 2daw h THR 119 Ca 0.38 -1.11 -0.58 0.00 -0.55 0.00 0.00 66.41 64.55 2daw h THR 119 Cb 1.65 1.46 0.13 0.00 -1.73 0.00 0.00 68.15 69.67 2daw h THR 119 CO -0.00 0.35 -0.77 0.49 -0.25 0.00 0.00 175.52 175.33 2daw n PHE 120 N -4.51 -1.56 -3.83 4.73 3.01 0.08 -4.95 117.46 110.43 2daw n PHE 120 Ca -0.04 0.65 -0.23 0.00 1.01 0.00 0.00 57.45 58.84 2daw n PHE 120 Cb 0.32 -1.66 -0.02 0.00 -0.01 0.00 0.00 39.48 38.10 2daw n PHE 120 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2daw s ASP 121 N -0.91 6.33 -0.16 4.37 1.11 -1.26 -5.04 116.67 121.12 2daw s ASP 121 Ca 0.55 0.20 -0.29 0.00 0.18 0.00 0.00 52.55 53.19 2daw s ASP 121 Cb -0.65 -1.92 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2daw s ASP 121 CO 0.56 -0.08 1.57 -2.16 1.18 0.00 0.00 175.17 176.24 2daw s PRO 122 N -3.79 4.00 0.00 8.23 0.04 -1.26 -3.72 135.00 138.50 2daw s PRO 122 Ca 0.36 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2daw s PRO 122 Cb -0.10 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2daw s PRO 122 CO 0.30 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2daw n GLY 123 N 4.30 3.61 4.02 0.56 0.00 -1.26 -4.84 105.19 111.58 2daw n GLY 123 Ca 0.17 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 2.41 0.73 1.61 -1.05 -1.24 -4.89 118.70 116.27 2daw s GLU 124 Ca 0.00 -1.57 -0.12 0.00 -0.15 0.00 0.00 54.97 53.13 2daw s GLU 124 Cb 0.00 -2.65 0.03 0.00 -0.44 0.00 0.00 34.13 31.07 2daw s GLU 124 CO 0.00 -0.73 1.11 -0.51 0.95 0.00 0.00 175.26 176.08 2daw s LEU 125 N -4.59 2.82 0.08 1.83 1.43 -1.26 -4.61 118.68 114.38 2daw s LEU 125 Ca 0.60 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2daw s LEU 125 Cb -0.06 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.33 2daw s LEU 125 CO 0.37 -1.47 0.00 0.00 0.23 0.00 0.00 176.35 175.49 2daw h VAL 127 N 0.00 0.26 -0.96 0.00 3.04 -1.99 0.69 116.25 117.29 2daw h VAL 127 Ca 0.00 -0.09 0.08 0.00 -1.01 0.00 0.00 66.70 65.68 2daw h VAL 127 Cb 0.21 -0.03 -0.07 0.00 -2.01 0.00 0.00 31.29 29.39 2daw h VAL 127 CO 0.00 0.05 0.61 0.00 -1.01 0.00 0.00 177.57 177.22 2daw h ALA 129 N 1.46 0.25 -0.39 0.00 0.00 0.03 -3.33 119.26 117.29 2daw h ALA 129 Ca 0.43 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.72 2daw h ALA 129 Cb 0.25 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 2daw h ALA 129 CO -0.20 0.73 -0.48 0.00 0.00 0.00 0.00 179.25 179.29 2daw h ALA 130 N 0.55 -0.59 -0.41 0.00 0.00 -0.58 0.21 119.26 118.44 2daw h ALA 130 Ca -0.10 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2daw h ALA 130 Cb 1.60 0.99 -0.09 0.00 0.00 0.00 0.00 17.79 20.29 2daw h ALA 130 CO 0.18 -0.95 -0.50 0.82 0.00 0.00 0.00 179.25 178.80 2daw h ILE 131 N -0.37 0.05 0.26 0.00 2.04 -1.61 0.19 117.51 118.06 2daw h ILE 131 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2daw h ILE 131 Cb 0.60 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2daw h ILE 131 CO -0.57 0.00 -0.38 -0.61 0.00 0.00 0.00 178.15 176.59 2daw h GLN 132 N -0.37 -0.68 -0.27 2.37 5.75 -1.49 -1.53 115.11 118.90 2daw h GLN 132 Ca 0.10 0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.69 2daw h GLN 132 Cb 0.60 0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.23 2daw h GLN 132 CO -0.59 -0.45 -0.53 2.35 -2.65 0.00 0.00 178.83 176.97 2daw h TRP 133 N -0.70 -1.58 -0.09 3.99 7.01 -0.00 0.16 115.95 124.74 2daw h TRP 133 Ca -0.00 0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.08 2daw h TRP 133 Cb 0.67 0.72 -0.03 0.00 -2.10 0.00 0.00 29.16 28.42 2daw h TRP 133 CO -0.26 -0.51 -0.25 -0.07 -2.79 0.00 0.00 178.44 174.55 2daw h LEU 134 N -0.48 -0.81 -0.77 0.65 3.38 -0.48 0.15 115.31 116.94 2daw h LEU 134 Ca 0.06 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.31 2daw h LEU 134 Cb 0.64 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 41.57 2daw h LEU 134 CO -0.51 -0.22 -0.01 1.56 0.09 0.00 0.00 178.44 179.35 2daw h GLN 135 N -0.25 0.09 -0.72 1.13 1.08 -0.99 1.88 115.11 117.33 2daw h GLN 135 Ca 0.02 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 2daw h GLN 135 Cb 0.31 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 2daw h GLN 135 CO -0.22 0.06 0.42 -0.44 -0.95 0.00 0.00 178.83 177.70 2daw h ASP 136 N 0.09 0.66 -1.07 1.46 5.19 0.25 -2.88 116.42 120.12 2daw h ASP 136 Ca 0.42 0.02 -0.58 0.00 -0.62 0.00 0.00 57.03 56.27 2daw h ASP 136 Cb 0.74 -0.12 -0.41 0.00 0.18 0.00 0.00 39.33 39.73 2daw h ASP 136 CO -0.69 0.43 -0.58 -0.46 -3.12 0.00 0.00 179.24 174.82 2daw n ASN 137 N -4.72 5.18 -0.08 6.45 0.23 0.83 -4.76 115.26 118.39 2daw n ASN 137 Ca 0.09 -3.75 -0.10 0.00 -0.53 0.00 0.00 54.58 50.29 2daw n ASN 137 Cb 0.15 -0.46 -0.05 0.00 -2.08 0.00 0.00 39.78 37.34 2daw n ASN 137 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2daw n SER 138 N -0.64 1.83 -0.18 0.53 2.88 0.60 -4.42 113.62 114.23 2daw n SER 138 Ca 0.44 0.56 -0.02 0.00 -1.33 0.00 0.00 58.87 58.52 2daw n SER 138 Cb 0.82 -0.90 0.08 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.85 0.67 -0.70 -1.46 0.00 -1.83 -2.28 119.26 112.82 2daw h ALA 139 Ca -0.12 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.08 2daw h ALA 139 Cb 0.78 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 2daw h ALA 139 CO -0.07 -0.20 0.10 0.43 0.00 0.00 0.00 179.25 179.50 2daw n SER 140 N -5.00 -0.01 0.08 0.00 7.64 -1.26 -0.47 113.62 114.60 2daw n SER 140 Ca 0.06 1.19 -0.04 0.00 1.01 0.00 0.00 58.87 61.09 2daw n SER 140 Cb 0.23 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 2daw n SER 140 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2daw h TYR 141 N 0.00 -0.25 -0.93 1.43 0.05 -1.63 -3.34 116.97 112.30 2daw h TYR 141 Ca 0.47 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 59.40 2daw h TYR 141 Cb 1.04 0.08 -0.16 0.00 1.01 0.00 0.00 36.73 38.71 2daw h TYR 141 CO -0.28 -0.15 -0.32 1.19 -1.05 0.00 0.00 178.16 177.55 2daw n PHE 142 N -3.88 0.13 -0.13 4.88 3.01 0.05 -1.21 117.46 120.30 2daw n PHE 142 Ca -0.03 1.14 -0.03 0.00 1.01 0.00 0.00 57.45 59.54 2daw n PHE 142 Cb 0.11 -0.91 -0.03 0.00 -0.01 0.00 0.00 39.48 38.64 2daw n PHE 142 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2daw n LEU 143 N -5.42 -0.33 -4.53 4.37 4.77 0.38 -3.90 117.00 112.34 2daw n LEU 143 Ca 0.11 0.97 -0.36 0.00 -0.03 0.00 0.00 56.01 56.71 2daw n LEU 143 Cb 0.40 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2daw n LEU 143 CO -0.12 -0.66 2.06 0.59 -1.33 0.00 0.00 177.39 177.93 2daw n ASN 144 N -3.67 1.33 -3.78 -1.43 4.13 -0.35 -4.88 115.26 106.62 2daw n ASN 144 Ca 0.01 -0.31 -0.14 0.00 1.68 0.00 0.00 54.58 55.82 2daw n ASN 144 Cb 0.08 -1.29 -0.15 0.00 -1.54 0.00 0.00 39.78 36.88 2daw n ASN 144 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2daw s ARG 145 N 8.55 0.02 -0.39 3.52 3.52 -1.25 -5.03 118.95 127.90 2daw s ARG 145 Ca 1.14 0.24 0.03 0.00 -0.13 0.00 0.00 55.73 57.00 2daw s ARG 145 Cb -0.62 -0.18 0.54 0.00 -1.56 0.00 0.00 34.95 33.13 2daw s ARG 145 CO 0.35 -0.14 1.78 1.17 -0.81 0.00 0.00 175.30 177.65 2daw n LYS 146 N 4.01 2.06 -4.56 5.12 3.00 -1.26 -4.87 118.16 121.65 2daw n LYS 146 Ca -0.25 -2.51 -0.33 0.00 -0.00 0.00 0.00 58.31 55.23 2daw n LYS 146 Cb 0.52 -1.98 -0.16 0.00 0.00 0.00 0.00 35.03 33.41 2daw n LYS 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2daw s LEU 147 N -2.76 2.15 -0.18 3.14 1.02 -1.26 -5.01 118.68 115.77 2daw s LEU 147 Ca 0.48 -0.60 -0.15 0.00 0.02 0.00 0.00 54.13 53.87 2daw s LEU 147 Cb 0.40 -1.46 -0.07 0.00 0.02 0.00 0.00 46.19 45.08 2daw s LEU 147 CO 0.08 0.07 -0.32 0.52 0.02 0.00 0.00 176.35 176.72 2daw n VAL 148 N 4.17 1.45 -0.09 -1.59 0.31 -1.26 -4.81 118.33 116.51 2daw n VAL 148 Ca -0.20 0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 63.98 2daw n VAL 148 Cb 0.51 -2.16 -0.13 0.00 -0.91 0.00 0.00 33.84 31.16 2daw n VAL 148 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2daw n SER 149 N -4.30 1.79 -0.50 4.52 3.41 -1.26 -5.10 113.62 112.18 2daw n SER 149 Ca -0.23 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2daw n SER 149 Cb 0.57 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2daw n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daw n GLY 150 N 2.11 -1.23 3.73 5.00 0.00 -1.26 -5.00 105.19 108.54 2daw n GLY 150 Ca -0.40 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2daw n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daw s PRO 151 N -1.82 4.37 -0.30 1.61 0.04 -1.26 -5.02 135.00 132.63 2daw s PRO 151 Ca 0.00 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 2daw s PRO 151 Cb 0.00 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 31.48 2daw s PRO 151 CO 0.00 -0.30 0.62 0.45 0.04 0.00 0.00 177.00 177.81 2daw s SER 152 N 0.59 -1.22 -0.14 6.66 0.15 -1.26 -5.07 113.70 113.43 2daw s SER 152 Ca 0.59 1.27 -0.09 0.00 0.70 0.00 0.00 55.95 58.41 2daw s SER 152 Cb -0.36 2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 66.11 2daw s SER 152 CO 0.35 -0.24 0.02 0.77 1.20 0.00 0.00 173.24 175.34 2daw h SER 153 N 8.01 0.00 0.00 5.45 4.64 -2.06 -3.57 113.55 126.02 2daw h SER 153 Ca -0.20 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2daw h SER 153 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2daw h SER 153 CO 0.17 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.52