#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 -0.46 0.00 1.61 1.04 -1.26 -5.02 113.70 109.61 2daw s SER 2 Ca 0.00 0.66 0.18 0.00 0.48 0.00 0.00 55.95 57.28 2daw s SER 2 Cb 0.00 0.60 0.51 0.00 0.10 0.00 0.00 66.02 67.23 2daw s SER 2 CO 0.00 -0.31 1.42 -1.54 0.98 0.00 0.00 173.24 173.79 2daw n SER 3 N 1.37 2.71 0.00 7.02 3.41 -1.26 -5.03 113.62 121.85 2daw n SER 3 Ca -0.12 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2daw n SER 3 Cb 0.57 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 1.33 3.74 3.96 5.00 0.00 -1.26 -4.67 105.19 113.29 2daw n GLY 4 Ca 0.18 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.00 6.28 0.34 1.61 0.01 -1.26 -5.13 113.70 111.56 2daw s SER 5 Ca 0.00 0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.48 2daw s SER 5 Cb 0.00 -1.86 -0.07 0.00 0.21 0.00 0.00 66.02 64.30 2daw s SER 5 CO 0.00 -0.17 0.00 -0.44 0.41 0.00 0.00 173.24 173.04 2daw s SER 6 N -4.01 3.02 -1.18 2.44 0.01 -1.26 -5.07 113.70 107.66 2daw s SER 6 Ca 0.37 -1.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.26 2daw s SER 6 Cb -0.09 -0.22 0.23 0.00 0.21 0.00 0.00 66.02 66.15 2daw s SER 6 CO 0.31 -0.46 1.79 0.61 0.41 0.00 0.00 173.24 175.90 2daw n GLY 7 N -0.75 5.16 3.40 3.44 0.00 -1.26 -4.95 105.19 110.23 2daw n GLY 7 Ca -0.04 -2.37 -0.21 0.00 0.00 0.00 0.00 46.02 43.40 2daw n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2daw s MET 8 N -1.63 1.66 0.23 1.61 1.00 -1.26 -5.14 119.30 115.78 2daw s MET 8 Ca 0.38 -1.96 -0.26 0.00 0.00 0.00 0.00 55.69 53.85 2daw s MET 8 Cb 0.10 -0.40 -0.09 0.00 0.00 0.00 0.00 34.83 34.45 2daw s MET 8 CO 0.02 -0.39 0.86 0.45 0.00 0.00 0.00 175.02 175.96 2daw s SER 9 N -3.45 7.40 0.49 3.03 0.15 -1.26 -5.03 113.70 115.04 2daw s SER 9 Ca 0.33 1.74 -0.22 0.00 0.70 0.00 0.00 55.95 58.50 2daw s SER 9 Cb 0.05 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 2daw s SER 9 CO 0.16 0.10 1.23 0.00 1.20 0.00 0.00 173.24 175.93 2daw s ALA 10 N -1.33 2.91 -0.01 5.45 0.00 -1.26 -4.98 121.76 122.54 2daw s ALA 10 Ca 0.42 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 2daw s ALA 10 Cb -0.22 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2daw s ALA 10 CO 0.26 -0.91 0.93 0.45 0.00 0.00 0.00 175.76 176.50 2daw s SER 11 N -1.23 7.30 0.28 0.00 0.15 -1.26 -4.91 113.70 114.03 2daw s SER 11 Ca 0.67 1.58 0.13 0.00 0.70 0.00 0.00 55.95 59.02 2daw s SER 11 Cb -0.33 -2.54 0.93 0.00 -1.71 0.00 0.00 66.02 62.37 2daw s SER 11 CO 0.39 -0.24 1.23 0.52 1.20 0.00 0.00 173.24 176.34 2daw n VAL 12 N 3.89 -0.33 -0.30 4.45 0.31 -1.26 0.01 118.33 125.11 2daw n VAL 12 Ca 0.05 1.61 0.02 0.00 -0.01 0.00 0.00 64.34 66.01 2daw n VAL 12 Cb 0.51 -2.55 0.07 0.00 -0.91 0.00 0.00 33.84 30.96 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 -4.84 -0.13 0.02 5.55 5.02 -1.26 0.82 118.16 123.34 2daw n LYS 13 Ca 0.27 1.26 -0.11 0.00 -2.02 0.00 0.00 58.31 57.71 2daw n LYS 13 Cb 0.90 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.02 -0.16 1.97 4.39 -0.80 -1.08 114.58 118.92 2daw h GLU 14 Ca 0.34 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.08 2daw h GLU 14 Cb 0.54 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2daw h GLU 14 CO -0.82 0.01 -0.15 0.77 -1.16 0.00 0.00 179.01 177.66 2daw h SER 15 N 0.02 -0.48 -0.57 1.42 0.02 0.34 -1.11 113.55 113.19 2daw h SER 15 Ca 0.02 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2daw h SER 15 Cb 0.02 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2daw h SER 15 CO -0.03 -0.20 0.37 -0.07 -1.14 0.00 0.00 176.83 175.77 2daw h LEU 16 N -0.17 0.56 -0.27 5.07 3.38 -0.66 -2.29 115.31 120.93 2daw h LEU 16 Ca 0.11 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2daw h LEU 16 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2daw h LEU 16 CO -0.27 0.39 0.16 -0.61 0.09 0.00 0.00 178.44 178.21 2daw h GLN 17 N 0.65 0.33 0.00 1.13 -0.00 0.06 -1.48 115.11 115.80 2daw h GLN 17 Ca 0.23 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.85 2daw h GLN 17 Cb 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.50 2daw h GLN 17 CO -0.06 0.22 -0.02 -0.07 0.00 0.00 0.00 178.83 178.89 2daw h LEU 18 N 0.34 0.00 0.00 -2.39 -0.00 -0.83 0.78 115.31 113.22 2daw h LEU 18 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2daw h LEU 18 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2daw h LEU 18 CO -0.04 0.02 -0.09 0.00 -0.00 0.00 0.00 178.44 178.33 2daw n GLN 19 N -3.82 0.26 -0.09 1.13 6.02 -0.60 -3.20 117.38 117.08 2daw n GLN 19 Ca -0.03 0.19 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 2daw n GLN 19 Cb 0.11 -1.78 -0.06 0.00 1.02 0.00 0.00 30.24 29.53 2daw n GLN 19 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2daw n LEU 20 N -2.22 1.84 -0.08 1.08 4.77 0.20 -3.96 117.00 118.63 2daw n LEU 20 Ca 0.05 0.52 0.22 0.00 -0.03 0.00 0.00 56.01 56.77 2daw n LEU 20 Cb 0.43 -0.90 0.67 0.00 -2.33 0.00 0.00 43.42 41.28 2daw n LEU 20 CO 0.31 -0.11 1.21 0.17 -1.33 0.00 0.00 177.39 177.64 2daw h LEU 21 N -1.00 0.07 -1.22 2.23 8.10 -1.50 0.31 115.31 122.29 2daw h LEU 21 Ca -0.18 0.01 -0.08 0.00 0.11 0.00 0.00 57.88 57.74 2daw h LEU 21 Cb 0.91 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 41.11 2daw h LEU 21 CO -0.11 0.03 -0.39 1.05 -4.11 0.00 0.00 178.44 174.92 2daw h GLU 22 N 0.07 0.00 -0.13 0.17 4.11 -1.72 -2.93 114.58 114.15 2daw h GLU 22 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.74 2daw h GLU 22 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2daw h GLU 22 CO -0.03 0.39 0.03 0.52 0.07 0.00 0.00 179.01 179.99 2daw h MET 23 N 0.00 0.20 0.00 1.06 2.86 -0.51 0.33 114.93 118.87 2daw h MET 23 Ca -0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2daw h MET 23 Cb 0.69 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2daw h MET 23 CO 0.05 0.36 -0.06 1.05 1.06 0.00 0.00 176.91 179.37 2daw h GLU 24 N 0.00 0.00 0.08 1.72 4.11 -1.48 -0.11 114.58 118.90 2daw h GLU 24 Ca 0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.15 2daw h GLU 24 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2daw h GLU 24 CO 0.00 0.06 -1.75 0.52 0.07 0.00 0.00 179.01 177.91 2daw h MET 25 N 0.00 0.17 -0.13 1.06 2.86 -1.28 -3.32 114.93 114.30 2daw h MET 25 Ca -0.00 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.25 2daw h MET 25 Cb 0.24 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2daw h MET 25 CO 0.01 0.95 -0.27 -0.07 1.06 0.00 0.00 176.91 178.59 2daw h LEU 26 N 0.05 0.45 -0.71 1.22 3.38 0.14 -2.83 115.31 117.02 2daw h LEU 26 Ca -0.32 -0.57 0.12 0.00 0.09 0.00 0.00 57.88 57.20 2daw h LEU 26 Cb 2.02 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.56 2daw h LEU 26 CO 0.11 0.94 0.30 -0.26 0.09 0.00 0.00 178.44 179.61 2daw h PHE 27 N -0.01 0.51 -0.32 1.13 0.04 -1.20 -1.47 116.94 115.62 2daw h PHE 27 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2daw h PHE 27 Cb 0.87 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 2daw h PHE 27 CO 0.10 0.12 0.13 1.03 -0.60 0.00 0.00 178.31 179.09 2daw h SER 28 N 0.48 0.44 0.04 2.17 0.87 -1.65 -2.02 113.55 113.88 2daw h SER 28 Ca 0.37 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2daw h SER 28 Cb 0.50 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2daw h SER 28 CO -0.34 0.49 0.00 0.24 -0.53 0.00 0.00 176.83 176.69 2daw h MET 29 N 0.37 0.00 -3.43 2.24 2.86 -1.05 -3.31 114.93 112.62 2daw h MET 29 Ca 0.11 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 57.09 2daw h MET 29 Cb 0.19 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 31.45 2daw h MET 29 CO -0.01 0.00 -0.54 -0.06 1.06 0.00 0.00 176.91 177.36 2daw s PHE 30 N -4.13 3.26 -0.12 -0.22 0.08 -0.65 -4.92 117.98 111.28 2daw s PHE 30 Ca -0.05 -3.04 0.30 0.00 0.12 0.00 0.00 56.93 54.26 2daw s PHE 30 Cb 0.13 -2.94 1.24 0.00 -0.57 0.00 0.00 43.02 40.87 2daw s PHE 30 CO 0.42 -0.77 1.88 -1.00 -0.10 0.00 0.00 175.22 175.65 2daw h PRO 31 N 6.62 0.00 -0.00 0.24 0.13 -1.70 -2.92 132.00 134.37 2daw h PRO 31 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2daw h PRO 31 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2daw h PRO 31 CO 0.70 0.00 0.03 -0.91 -0.23 0.00 0.00 178.00 177.59 2daw h ASN 32 N 0.00 0.00 -6.87 1.44 2.35 -1.91 -3.46 115.58 107.14 2daw h ASN 32 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2daw h ASN 32 Cb 0.44 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.69 2daw h ASN 32 CO 0.00 0.00 -0.96 0.00 -1.65 0.00 0.00 177.43 174.82 2daw n GLN 33 N -3.11 -1.38 0.00 0.81 1.13 -1.10 -4.59 117.38 109.14 2daw n GLN 33 Ca -0.03 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2daw n GLN 33 Cb 0.10 -3.63 0.00 0.00 0.11 0.00 0.00 30.24 26.82 2daw n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2daw n GLY 34 N -2.30 0.09 0.28 1.08 0.00 -1.26 -4.97 105.19 98.11 2daw n GLY 34 Ca -0.27 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.25 -5.82 1.61 5.08 -1.91 -3.32 114.58 110.48 2daw h GLU 35 Ca 0.00 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 2daw h GLU 35 Cb 0.00 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2daw h GLU 35 CO 0.00 0.16 0.92 0.08 -1.00 0.00 0.00 179.01 179.18 2daw s VAL 36 N -6.03 3.52 -0.45 3.13 1.01 -1.25 -3.99 120.40 116.34 2daw s VAL 36 Ca -0.13 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2daw s VAL 36 Cb 0.22 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2daw s VAL 36 CO 0.76 -1.12 0.90 -0.54 0.00 0.00 0.00 175.10 175.10 2daw s LYS 37 N 6.67 3.53 -0.43 2.72 1.02 -0.87 -4.90 119.74 127.48 2daw s LYS 37 Ca 0.65 0.14 -0.16 0.00 0.02 0.00 0.00 55.97 56.63 2daw s LYS 37 Cb -0.06 -3.92 0.03 0.00 -0.52 0.00 0.00 37.83 33.36 2daw s LYS 37 CO 0.00 -1.18 0.35 -0.51 -0.92 0.00 0.00 175.35 173.09 2daw s LEU 38 N 3.64 5.20 0.26 3.17 1.43 -1.26 -2.28 118.68 128.83 2daw s LEU 38 Ca 0.36 -0.97 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2daw s LEU 38 Cb -0.11 -2.20 0.62 0.00 0.03 0.00 0.00 46.19 44.53 2daw s LEU 38 CO 0.25 -0.53 1.30 -1.84 0.23 0.00 0.00 176.35 175.76 2daw n GLU 39 N 5.25 -0.07 -3.93 1.70 0.28 -1.22 -4.17 120.64 118.48 2daw n GLU 39 Ca -0.11 1.24 -0.17 0.00 -0.16 0.00 0.00 57.16 57.97 2daw n GLU 39 Cb 0.46 -1.97 -0.16 0.00 1.43 0.00 0.00 31.44 31.20 2daw n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2daw s ASP 40 N -5.02 0.42 0.32 -1.84 1.01 -1.26 -5.01 116.67 105.28 2daw s ASP 40 Ca -0.11 -0.03 0.26 0.00 0.71 0.00 0.00 52.55 53.39 2daw s ASP 40 Cb 0.24 -0.22 0.93 0.00 1.01 0.00 0.00 42.92 44.88 2daw s ASP 40 CO 0.65 -0.10 1.77 -0.37 0.21 0.00 0.00 175.17 177.33 2daw h VAL 41 N 6.24 0.00 -0.07 -1.27 -1.51 -2.01 -2.66 116.25 114.96 2daw h VAL 41 Ca -0.43 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 2daw h VAL 41 Cb 1.13 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2daw h VAL 41 CO 0.48 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.41 2daw n ASN 42 N -2.50 1.33 -0.08 4.19 3.02 -1.26 -3.94 115.26 116.02 2daw n ASN 42 Ca 0.03 -1.53 -0.08 0.00 -0.03 0.00 0.00 54.58 52.97 2daw n ASN 42 Cb 0.34 -0.04 0.08 0.00 -0.61 0.00 0.00 39.78 39.55 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 4.16 0.85 0.03 5.41 0.00 -1.79 -1.22 119.26 126.69 2daw h ALA 43 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 2daw h ALA 43 Cb 0.42 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2daw h ALA 43 CO 0.00 0.64 -0.73 -0.07 0.00 0.00 0.00 179.25 179.09 2daw h LEU 44 N 0.65 0.58 -0.17 0.00 3.38 -1.79 -3.18 115.31 114.78 2daw h LEU 44 Ca 0.08 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 2daw h LEU 44 Cb 0.78 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2daw h LEU 44 CO 0.06 1.31 0.09 0.74 0.09 0.00 0.00 178.44 180.74 2daw h THR 45 N -0.08 1.10 -0.51 0.22 2.02 -1.74 -2.92 112.91 111.00 2daw h THR 45 Ca -0.10 -0.26 0.10 0.00 0.77 0.00 0.00 66.41 66.92 2daw h THR 45 Cb 1.45 0.96 -0.09 0.00 -1.74 0.00 0.00 68.15 68.73 2daw h THR 45 CO 0.14 0.09 -0.01 0.78 0.37 0.00 0.00 175.52 176.89 2daw h ASN 46 N 0.18 -0.25 -0.23 4.18 4.21 -1.33 -2.26 115.58 120.08 2daw h ASN 46 Ca 0.06 0.13 0.05 0.00 1.21 0.00 0.00 56.30 57.75 2daw h ASN 46 Cb 0.06 0.23 -0.07 0.00 -1.12 0.00 0.00 38.32 37.41 2daw h ASN 46 CO -0.01 -0.09 -0.43 0.40 -1.29 0.00 0.00 177.43 176.01 2daw h ILE 47 N 0.10 0.13 -0.99 2.81 2.04 -1.49 0.04 117.51 120.15 2daw h ILE 47 Ca 0.26 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.43 2daw h ILE 47 Cb 0.39 0.13 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 2daw h ILE 47 CO -0.44 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.35 2daw h LYS 48 N -0.43 0.30 -0.75 2.37 1.57 -1.31 0.84 116.57 119.15 2daw h LYS 48 Ca 0.10 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2daw h LYS 48 Cb 0.61 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2daw h LYS 48 CO -0.47 0.20 0.50 0.00 -0.57 0.00 0.00 179.45 179.11 2daw h ARG 49 N 0.31 0.95 -0.14 3.15 3.08 -0.81 -2.57 114.38 118.34 2daw h ARG 49 Ca 0.72 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.71 2daw h ARG 49 Cb 1.62 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2daw h ARG 49 CO -0.62 0.63 0.08 -0.92 -1.07 0.00 0.00 179.97 178.07 2daw h TYR 50 N 0.98 0.16 -1.09 3.04 3.20 0.96 -2.05 116.97 122.15 2daw h TYR 50 Ca 0.29 0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.46 2daw h TYR 50 Cb -0.04 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.10 2daw h TYR 50 CO -0.00 0.09 0.73 -0.07 -1.64 0.00 0.00 178.16 177.28 2daw h LEU 51 N 0.17 0.28 -0.63 2.82 -0.00 -1.28 0.81 115.31 117.48 2daw h LEU 51 Ca 0.06 0.06 -0.14 0.00 -0.00 0.00 0.00 57.88 57.85 2daw h LEU 51 Cb -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2daw h LEU 51 CO -0.03 0.04 -0.68 -0.33 -0.00 0.00 0.00 178.44 177.44 2daw h GLU 52 N 0.24 0.02 0.00 1.13 3.07 -1.37 -3.47 114.58 114.20 2daw h GLU 52 Ca 0.59 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 2daw h GLU 52 Cb 1.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.72 2daw h GLU 52 CO -0.20 0.69 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 2daw n GLY 53 N 0.43 2.79 0.14 -3.84 0.00 0.28 -4.84 105.19 100.17 2daw n GLY 53 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 1.15 -3.90 2.61 5.66 -1.26 -3.92 114.28 112.62 2daw n THR 54 Ca 0.00 0.71 -0.30 0.00 -3.05 0.00 0.00 64.05 61.41 2daw n THR 54 Cb 0.00 -1.71 -0.15 0.00 -1.55 0.00 0.00 70.33 66.92 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 -3.48 1.34 0.43 1.09 3.52 -1.26 -4.96 118.95 115.63 2daw s ARG 55 Ca -0.02 -1.81 0.09 0.00 -0.13 0.00 0.00 55.73 53.86 2daw s ARG 55 Cb 0.05 -2.82 0.94 0.00 -1.56 0.00 0.00 34.95 31.57 2daw s ARG 55 CO 0.17 -1.00 2.07 1.49 -0.81 0.00 0.00 175.30 177.22 2daw h GLU 56 N 7.46 0.41 -6.24 5.12 4.81 -1.95 -3.43 114.58 120.76 2daw h GLU 56 Ca -0.07 -0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.53 2daw h GLU 56 Cb 0.99 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.29 2daw h GLU 56 CO 0.53 0.28 1.17 0.00 -0.73 0.00 0.00 179.01 180.26 2daw n ALA 57 N -2.49 1.03 -1.98 2.92 0.00 -1.26 -4.89 120.51 113.84 2daw n ALA 57 Ca 0.02 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 2daw n ALA 57 Cb 0.08 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 2daw n ALA 57 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2daw s LEU 58 N 4.69 4.35 0.67 0.00 1.98 -1.26 -4.92 118.68 124.20 2daw s LEU 58 Ca 0.94 2.39 -0.14 0.00 -2.89 0.00 0.00 54.13 54.42 2daw s LEU 58 Cb -0.65 -3.56 0.01 0.00 0.66 0.00 0.00 46.19 42.65 2daw s LEU 58 CO 0.49 -0.87 1.11 -2.16 -1.89 0.00 0.00 176.35 173.03 2daw s PRO 59 N 2.91 2.73 0.07 0.98 0.04 -1.26 -4.98 135.00 135.48 2daw s PRO 59 Ca 0.73 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 2daw s PRO 59 Cb -0.37 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2daw s PRO 59 CO 0.31 -1.30 1.40 -1.25 0.04 0.00 0.00 177.00 176.20 2daw s PRO 60 N -4.20 4.31 0.84 0.56 0.04 -1.26 -4.97 135.00 130.31 2daw s PRO 60 Ca 0.66 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.59 2daw s PRO 60 Cb -0.20 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2daw s PRO 60 CO 0.43 -0.50 0.50 0.36 0.04 0.00 0.00 177.00 177.84 2daw n LYS 61 N 4.59 0.01 -2.68 4.56 2.85 -1.26 -4.82 118.16 121.40 2daw n LYS 61 Ca 0.12 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 57.01 2daw n LYS 61 Cb 0.43 -1.88 -0.03 0.00 -0.65 0.00 0.00 35.03 32.90 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 -2.16 4.05 -0.07 0.58 1.01 -1.11 -4.97 121.20 118.53 2daw s ILE 62 Ca 0.62 0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.65 2daw s ILE 62 Cb -0.28 -4.75 -0.01 0.00 0.01 0.00 0.00 42.46 37.44 2daw s ILE 62 CO 0.62 -1.51 -0.24 -1.61 0.00 0.00 0.00 174.94 172.21 2daw s GLU 63 N 4.85 2.57 0.34 2.79 2.02 -1.26 -2.24 118.70 127.77 2daw s GLU 63 Ca 0.33 -0.85 -0.16 0.00 0.02 0.00 0.00 54.97 54.31 2daw s GLU 63 Cb -0.11 -2.11 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2daw s GLU 63 CO 0.17 0.30 0.83 1.97 0.02 0.00 0.00 175.26 178.56 2daw n PHE 64 N 3.15 -2.10 -4.32 1.61 -1.74 -1.08 -3.43 117.46 109.55 2daw n PHE 64 Ca -0.18 -1.68 -0.23 0.00 -0.56 0.00 0.00 57.45 54.80 2daw n PHE 64 Cb 0.52 0.84 -0.17 0.00 1.52 0.00 0.00 39.48 42.20 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 -2.11 0.86 -0.21 1.97 1.01 -0.97 -0.97 120.40 119.99 2daw s VAL 65 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2daw s VAL 65 Cb -0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2daw s VAL 65 CO 0.10 0.30 0.04 -0.63 0.00 0.00 0.00 175.10 174.91 2daw s ILE 66 N 0.92 4.28 -0.55 2.22 1.01 0.71 -2.06 121.20 127.73 2daw s ILE 66 Ca -0.11 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 2daw s ILE 66 Cb -0.15 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.41 2daw s ILE 66 CO 0.01 0.41 1.03 -0.89 0.00 0.00 0.00 174.94 175.50 2daw s THR 67 N 0.98 4.27 -0.88 2.92 2.01 -1.26 -1.27 115.64 122.40 2daw s THR 67 Ca 0.03 0.55 -0.25 0.00 0.31 0.00 0.00 61.69 62.33 2daw s THR 67 Cb -0.14 -4.59 0.02 0.00 0.01 0.00 0.00 72.50 67.79 2daw s THR 67 CO 0.02 -1.16 1.54 -0.76 -0.69 0.00 0.00 174.62 173.57 2daw s LEU 68 N 4.28 3.33 -1.23 4.42 2.01 -0.46 -4.89 118.68 126.14 2daw s LEU 68 Ca 0.36 -0.86 -0.20 0.00 0.01 0.00 0.00 54.13 53.43 2daw s LEU 68 Cb -0.10 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.54 2daw s LEU 68 CO 0.22 -1.91 1.81 -1.58 1.01 0.00 0.00 176.35 175.90 2daw s GLN 69 N 5.76 3.33 -0.08 1.70 -0.44 -1.26 -3.07 119.66 125.60 2daw s GLN 69 Ca 0.50 -1.58 -0.29 0.00 -2.50 0.00 0.00 55.36 51.48 2daw s GLN 69 Cb -0.05 -5.40 -0.07 0.00 -1.64 0.00 0.00 33.01 25.86 2daw s GLN 69 CO 0.01 -2.98 1.99 0.42 0.50 0.00 0.00 175.29 175.23 2daw s ILE 70 N 7.16 3.13 0.02 -2.34 -1.09 -1.10 -4.91 121.20 122.07 2daw s ILE 70 Ca 0.60 0.15 -0.18 0.00 -2.23 0.00 0.00 60.65 58.98 2daw s ILE 70 Cb 0.02 -3.12 -0.10 0.00 -1.58 0.00 0.00 42.46 37.68 2daw s ILE 70 CO 0.09 -0.04 1.08 -0.33 -1.23 0.00 0.00 174.94 174.51 2daw h GLU 71 N 11.94 -0.64 -4.68 2.79 4.39 -1.92 -2.65 114.58 123.81 2daw h GLU 71 Ca -0.45 0.04 -0.65 0.00 0.34 0.00 0.00 59.36 58.65 2daw h GLU 71 Cb 1.22 0.14 -0.37 0.00 -0.10 0.00 0.00 28.75 29.65 2daw h GLU 71 CO 0.95 -0.42 -0.80 -2.00 -1.16 0.00 0.00 179.01 175.58 2daw s GLU 72 N -4.11 2.03 0.74 2.33 2.56 -1.26 -1.48 118.70 119.51 2daw s GLU 72 Ca -0.10 -1.18 -0.12 0.00 0.00 0.00 0.00 54.97 53.57 2daw s GLU 72 Cb 0.01 -2.75 0.18 0.00 2.00 0.00 0.00 34.13 33.57 2daw s GLU 72 CO 0.29 -0.56 0.66 -0.35 -0.56 0.00 0.00 175.26 174.73 2daw n PRO 73 N 4.53 -2.31 -3.39 4.30 -0.04 -1.26 -4.58 135.00 132.25 2daw n PRO 73 Ca -0.14 -1.05 -0.45 0.00 -0.04 0.00 0.00 63.50 61.82 2daw n PRO 73 Cb 0.43 -0.99 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 2daw n PRO 73 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2daw s LYS 74 N -4.49 3.18 0.27 0.54 2.20 -0.55 -4.61 119.74 116.28 2daw s LYS 74 Ca 0.43 -2.16 0.03 0.00 -0.36 0.00 0.00 55.97 53.90 2daw s LYS 74 Cb -0.04 -4.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.01 2daw s LYS 74 CO 0.33 -1.28 0.30 1.33 -0.36 0.00 0.00 175.35 175.67 2daw n VAL 75 N 4.41 0.00 -4.77 4.02 0.24 -1.00 -5.00 118.33 116.22 2daw n VAL 75 Ca 0.02 -1.69 -0.24 0.00 -2.04 0.00 0.00 64.34 60.39 2daw n VAL 75 Cb 0.43 0.92 -0.15 0.00 -1.47 0.00 0.00 33.84 33.57 2daw n VAL 75 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2daw s LYS 76 N -2.87 1.36 -0.19 7.34 2.20 -1.26 -2.69 119.74 123.63 2daw s LYS 76 Ca 0.28 -0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2daw s LYS 76 Cb 0.00 -1.30 0.06 0.00 -1.51 0.00 0.00 37.83 35.09 2daw s LYS 76 CO 0.20 0.33 0.07 0.42 -0.36 0.00 0.00 175.35 176.02 2daw s ILE 77 N -0.33 0.16 -0.35 5.43 1.01 -1.17 -4.71 121.20 121.24 2daw s ILE 77 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2daw s ILE 77 Cb -0.07 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2daw s ILE 77 CO -0.00 -0.30 1.43 -0.62 0.00 0.00 0.00 174.94 175.45 2daw s ASP 78 N 2.02 6.40 -0.26 3.58 -1.08 -1.03 -1.35 116.67 124.95 2daw s ASP 78 Ca 0.02 1.06 -0.10 0.00 -0.52 0.00 0.00 52.55 53.01 2daw s ASP 78 Cb -0.16 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 2daw s ASP 78 CO -0.11 -1.33 0.15 -0.22 0.52 0.00 0.00 175.17 174.17 2daw s LEU 79 N 5.22 3.85 -0.40 -1.34 2.96 -0.40 -2.49 118.68 126.08 2daw s LEU 79 Ca 0.62 -0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 54.31 2daw s LEU 79 Cb -0.16 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.48 2daw s LEU 79 CO 0.30 -0.02 0.48 -1.10 -1.32 0.00 0.00 176.35 174.68 2daw s GLN 80 N 1.59 3.27 -0.02 1.98 -0.21 0.61 -0.20 119.66 126.67 2daw s GLN 80 Ca 0.07 -0.55 -0.01 0.00 0.02 0.00 0.00 55.36 54.88 2daw s GLN 80 Cb -0.15 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 2daw s GLN 80 CO 0.08 -0.81 0.11 0.54 -2.12 0.00 0.00 175.29 173.08 2daw s VAL 81 N 2.29 4.93 -0.19 1.09 0.11 -0.14 -1.95 120.40 126.54 2daw s VAL 81 Ca 0.15 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 2daw s VAL 81 Cb -0.16 -3.26 0.07 0.00 -1.53 0.00 0.00 36.38 31.50 2daw s VAL 81 CO 0.14 0.37 0.10 -0.89 -3.33 0.00 0.00 175.10 171.49 2daw s THR 82 N -1.20 -0.07 -0.48 5.04 2.01 -0.88 -2.63 115.64 117.43 2daw s THR 82 Ca 0.23 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 61.88 2daw s THR 82 Cb -0.12 -0.65 0.12 0.00 0.01 0.00 0.00 72.50 71.86 2daw s THR 82 CO 0.14 -0.35 0.34 -0.04 -0.69 0.00 0.00 174.62 174.02 2daw s MET 83 N 2.12 2.43 0.00 4.92 -1.94 -0.95 -3.24 119.30 122.64 2daw s MET 83 Ca 0.03 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 52.15 2daw s MET 83 Cb -0.16 -3.86 0.00 0.00 2.01 0.00 0.00 34.83 32.82 2daw s MET 83 CO -0.14 -1.17 0.00 -0.35 -0.01 0.00 0.00 175.02 173.35 2daw n PRO 84 N 4.71 -0.98 0.00 2.03 -0.04 -1.26 -2.75 135.00 136.71 2daw n PRO 84 Ca -0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 2daw n PRO 84 Cb 0.41 0.00 0.56 0.00 -0.04 0.00 0.00 33.50 34.43 2daw n PRO 84 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2daw n HIS 85 N -2.48 0.00 -0.05 0.54 8.25 -1.26 -3.91 115.22 116.32 2daw n HIS 85 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2daw n HIS 85 Cb 0.00 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 30.66 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 -1.47 0.41 0.02 -1.92 -3.39 113.55 107.20 2daw h SER 86 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 2daw h SER 86 Cb 0.37 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.05 2daw h SER 86 CO 0.00 0.50 -0.84 0.00 -1.14 0.00 0.00 176.83 175.35 2daw n TYR 87 N -3.87 -2.00 0.23 3.45 4.19 -1.25 -2.51 117.16 115.40 2daw n TYR 87 Ca -0.04 0.42 0.10 0.00 3.31 0.00 0.00 57.90 61.69 2daw n TYR 87 Cb 0.17 -1.36 0.52 0.00 0.49 0.00 0.00 39.34 39.15 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 0.11 0.00 -0.71 2.98 0.13 -1.81 -3.41 132.00 129.29 2daw h PRO 88 Ca -0.31 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.07 2daw h PRO 88 Cb 1.14 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 2daw h PRO 88 CO 0.35 0.21 0.20 0.66 -0.23 0.00 0.00 178.00 179.19 2daw n TYR 89 N -3.47 0.64 -3.99 1.56 4.02 -1.04 -4.22 117.16 110.65 2daw n TYR 89 Ca -0.00 0.85 -0.26 0.00 -0.01 0.00 0.00 57.90 58.47 2daw n TYR 89 Cb 0.39 -1.15 -0.04 0.00 -0.02 0.00 0.00 39.34 38.52 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 -9.60 4.15 -0.46 7.72 0.20 -1.24 -4.49 118.68 114.95 2daw s LEU 90 Ca -0.08 0.07 -0.28 0.00 0.69 0.00 0.00 54.13 54.53 2daw s LEU 90 Cb 0.23 -2.73 -0.00 0.00 -0.43 0.00 0.00 46.19 43.25 2daw s LEU 90 CO 0.56 0.06 1.59 0.00 -0.29 0.00 0.00 176.35 178.27 2daw s ALA 91 N -1.73 2.79 1.44 5.97 0.00 -1.26 -4.00 121.76 124.97 2daw s ALA 91 Ca 0.33 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 2daw s ALA 91 Cb -0.11 -4.06 0.37 0.00 0.00 0.00 0.00 23.12 19.32 2daw s ALA 91 CO 0.27 -2.85 0.92 -0.48 0.00 0.00 0.00 175.76 173.62 2daw s LEU 92 N 6.59 -1.19 -0.03 0.00 0.05 -1.26 -5.01 118.68 117.83 2daw s LEU 92 Ca 0.65 0.84 0.06 0.00 0.05 0.00 0.00 54.13 55.73 2daw s LEU 92 Cb -0.15 -2.25 -0.01 0.00 -2.05 0.00 0.00 46.19 41.73 2daw s LEU 92 CO 0.29 -5.43 -0.21 -1.10 -0.55 0.00 0.00 176.35 169.34 2daw s GLN 93 N -5.09 1.90 0.01 1.48 1.11 -1.20 -4.99 119.66 112.88 2daw s GLN 93 Ca 0.69 -0.76 0.01 0.00 0.01 0.00 0.00 55.36 55.30 2daw s GLN 93 Cb -0.13 -1.75 -0.01 0.00 -1.01 0.00 0.00 33.01 30.11 2daw s GLN 93 CO 0.58 0.41 -0.04 -0.51 0.01 0.00 0.00 175.29 175.73 2daw s LEU 94 N -0.34 2.13 -0.09 2.90 1.43 -1.26 -2.07 118.68 121.38 2daw s LEU 94 Ca 0.04 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 2daw s LEU 94 Cb -0.10 -0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.07 2daw s LEU 94 CO 0.01 -0.10 0.18 0.12 0.23 0.00 0.00 176.35 176.78 2daw s PHE 95 N -0.73 -0.24 -0.13 0.29 5.36 -0.83 -4.93 117.98 116.77 2daw s PHE 95 Ca -0.06 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 2daw s PHE 95 Cb -0.05 -0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.46 2daw s PHE 95 CO -0.00 -0.26 -0.15 0.20 -1.46 0.00 0.00 175.22 173.55 2daw s GLY 96 N 2.02 1.50 0.01 13.12 0.00 -1.26 -0.29 107.32 122.42 2daw s GLY 96 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2daw s GLY 96 CO -0.07 -0.15 -0.04 1.09 0.00 0.00 0.00 173.10 173.94 2daw s ARG 97 N 0.46 0.28 -0.04 2.90 1.70 -1.04 -4.87 118.95 118.35 2daw s ARG 97 Ca -0.11 -0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 54.91 2daw s ARG 97 Cb -0.16 -0.20 0.03 0.00 -0.57 0.00 0.00 34.95 34.05 2daw s ARG 97 CO 0.05 0.05 0.07 0.45 -1.08 0.00 0.00 175.30 174.84 2daw s SER 98 N -0.39 0.69 0.34 -2.89 0.15 -1.26 -2.47 113.70 107.86 2daw s SER 98 Ca -0.02 0.11 0.13 0.00 0.70 0.00 0.00 55.95 56.87 2daw s SER 98 Cb -0.03 -0.05 1.05 0.00 -1.71 0.00 0.00 66.02 65.28 2daw s SER 98 CO -0.00 -0.21 1.64 -1.28 1.20 0.00 0.00 173.24 174.59 2daw h SER 99 N 8.01 0.32 -0.25 5.45 0.87 -2.01 0.39 113.55 126.33 2daw h SER 99 Ca -0.25 0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2daw h SER 99 Cb 1.12 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2daw h SER 99 CO 0.27 -0.21 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.01 2daw h GLU 100 N 0.22 0.45 -6.61 2.24 4.39 -1.95 -3.44 114.58 109.87 2daw h GLU 100 Ca 0.72 -0.15 -0.31 0.00 0.34 0.00 0.00 59.36 59.96 2daw h GLU 100 Cb 1.66 -0.04 0.18 0.00 -0.10 0.00 0.00 28.75 30.45 2daw h GLU 100 CO -0.67 0.64 -0.16 1.28 -1.16 0.00 0.00 179.01 178.94 2daw n LEU 101 N -4.61 -0.59 0.00 1.33 4.77 0.14 -5.06 117.00 112.97 2daw n LEU 101 Ca -0.04 -0.72 -0.22 0.00 -0.03 0.00 0.00 56.01 55.00 2daw n LEU 101 Cb 0.26 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2daw n LEU 101 CO 0.38 -4.19 -0.14 0.47 -1.33 0.00 0.00 177.39 172.59 2daw n ASP 102 N -4.32 0.66 0.04 -1.43 9.92 -1.26 -4.89 116.55 115.26 2daw n ASP 102 Ca 0.11 -3.08 -0.13 0.00 -0.53 0.00 0.00 54.79 51.17 2daw n ASP 102 Cb 0.50 1.16 -0.09 0.00 -0.64 0.00 0.00 41.12 42.06 2daw n ASP 102 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2daw h ARG 103 N 0.00 -0.11 -0.09 -1.24 9.65 -1.97 0.45 114.38 121.07 2daw h ARG 103 Ca -0.28 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.63 2daw h ARG 103 Cb 1.15 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.73 2daw h ARG 103 CO 0.43 0.28 -0.07 1.25 2.80 0.00 0.00 179.97 184.66 2daw h HIS 104 N -0.53 -0.17 0.34 2.20 2.76 -2.00 -2.04 115.15 115.70 2daw h HIS 104 Ca -0.01 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2daw h HIS 104 Cb 0.44 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2daw h HIS 104 CO 0.06 -0.11 -0.16 1.96 -1.30 0.00 0.00 177.93 178.37 2daw h GLN 105 N -0.08 -0.44 -0.75 5.26 4.20 -1.98 -3.03 115.11 118.29 2daw h GLN 105 Ca 0.06 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.92 2daw h GLN 105 Cb 0.17 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 27.92 2daw h GLN 105 CO -0.14 -0.22 -0.40 1.96 -0.67 0.00 0.00 178.83 179.36 2daw h GLN 106 N -0.58 -0.11 -0.15 1.46 4.20 -0.77 -0.91 115.11 118.25 2daw h GLN 106 Ca -0.05 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2daw h GLN 106 Cb 0.43 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 2daw h GLN 106 CO 0.08 -0.07 -0.33 -0.07 -0.67 0.00 0.00 178.83 177.76 2daw h LEU 107 N -0.12 -1.07 -0.82 1.46 3.38 -1.32 0.16 115.31 116.98 2daw h LEU 107 Ca 0.25 0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.55 2daw h LEU 107 Cb 0.56 0.43 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2daw h LEU 107 CO -0.80 -0.27 0.04 -0.07 0.09 0.00 0.00 178.44 177.43 2daw h LEU 108 N -0.31 -0.32 0.01 1.67 3.38 -1.21 0.42 115.31 118.95 2daw h LEU 108 Ca 0.03 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2daw h LEU 108 Cb 0.39 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2daw h LEU 108 CO -0.30 -0.20 -0.01 0.25 0.09 0.00 0.00 178.44 178.27 2daw h LEU 109 N 0.11 -0.01 -0.31 1.67 5.85 -0.00 -1.83 115.31 120.79 2daw h LEU 109 Ca 0.47 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.24 2daw h LEU 109 Cb 0.86 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 2daw h LEU 109 CO -0.71 -0.01 -0.51 0.78 -0.34 0.00 0.00 178.44 177.65 2daw h ASN 110 N -0.02 -1.66 -0.91 1.25 2.35 -0.33 -1.23 115.58 115.04 2daw h ASN 110 Ca -0.00 0.22 0.14 0.00 -0.55 0.00 0.00 56.30 56.11 2daw h ASN 110 Cb 0.01 0.68 -0.15 0.00 0.05 0.00 0.00 38.32 38.91 2daw h ASN 110 CO 0.00 -0.42 -0.38 0.50 -1.65 0.00 0.00 177.43 175.48 2daw h LYS 111 N -0.44 -0.04 -0.44 0.81 1.63 -0.23 0.90 116.57 118.76 2daw h LYS 111 Ca 0.08 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 2daw h LYS 111 Cb 0.62 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2daw h LYS 111 CO -0.53 -0.02 0.29 0.78 -3.45 0.00 0.00 179.45 176.52 2daw h GLY 112 N -0.04 0.54 0.39 5.01 0.00 -0.39 -2.96 103.07 105.63 2daw h GLY 112 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2daw h GLY 112 CO -0.92 0.17 -0.11 -2.00 0.00 0.00 0.00 176.54 173.67 2daw h LEU 113 N 0.48 -0.27 -0.92 3.11 5.85 0.17 -2.85 115.31 120.88 2daw h LEU 113 Ca 0.18 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.77 2daw h LEU 113 Cb 0.11 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 2daw h LEU 113 CO -0.04 0.24 -0.46 0.35 -0.34 0.00 0.00 178.44 178.18 2daw n THR 114 N -4.99 -0.56 -0.03 1.05 -2.24 0.81 -0.09 114.28 108.22 2daw n THR 114 Ca -0.08 2.20 -0.09 0.00 -2.27 0.00 0.00 64.05 63.81 2daw n THR 114 Cb 0.25 -2.80 -0.03 0.00 -2.10 0.00 0.00 70.33 65.65 2daw n THR 114 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2daw h SER 115 N 0.00 -0.00 -0.85 3.42 0.02 -1.64 0.25 113.55 114.75 2daw h SER 115 Ca 0.22 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.36 2daw h SER 115 Cb 0.45 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2daw h SER 115 CO -0.89 0.02 0.56 0.22 -1.14 0.00 0.00 176.83 175.60 2daw h TYR 116 N 0.09 0.63 0.00 3.45 3.20 -0.24 0.15 116.97 124.25 2daw h TYR 116 Ca 0.08 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 2daw h TYR 116 Cb 0.07 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2daw h TYR 116 CO -0.14 0.22 -0.79 0.82 -1.64 0.00 0.00 178.16 176.63 2daw h ILE 117 N 0.52 0.68 -0.00 1.81 1.08 0.18 -3.26 117.51 118.52 2daw h ILE 117 Ca 0.43 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.86 2daw h ILE 117 Cb 0.88 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2daw h ILE 117 CO -0.17 0.39 -0.03 0.61 -0.69 0.00 0.00 178.15 178.25 2daw n GLY 118 N 1.27 -1.43 0.16 5.37 0.00 0.79 -3.58 105.19 107.77 2daw n GLY 118 Ca -0.02 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 2daw n GLY 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2daw h THR 119 N 0.01 1.32 -2.59 2.61 1.35 -1.24 -3.47 112.91 110.91 2daw h THR 119 Ca 0.00 -2.51 -0.55 0.00 -0.55 0.00 0.00 66.41 62.80 2daw h THR 119 Cb 0.46 2.85 0.22 0.00 -1.73 0.00 0.00 68.15 69.95 2daw h THR 119 CO 0.00 0.75 -1.22 0.49 -0.25 0.00 0.00 175.52 175.29 2daw n PHE 120 N -3.84 -3.32 -3.94 4.73 3.01 -1.23 -4.98 117.46 107.89 2daw n PHE 120 Ca -0.15 0.14 -0.22 0.00 1.01 0.00 0.00 57.45 58.23 2daw n PHE 120 Cb 0.98 -1.62 -0.02 0.00 -0.01 0.00 0.00 39.48 38.81 2daw n PHE 120 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2daw s ASP 121 N -1.37 6.32 -0.18 4.37 1.47 -1.26 -5.05 116.67 120.96 2daw s ASP 121 Ca 0.50 0.11 -0.29 0.00 1.18 0.00 0.00 52.55 54.05 2daw s ASP 121 Cb -0.24 -1.88 -0.03 0.00 -0.34 0.00 0.00 42.92 40.43 2daw s ASP 121 CO 0.74 -0.05 1.59 -2.16 0.68 0.00 0.00 175.17 175.96 2daw s PRO 122 N -3.81 3.91 0.00 2.11 0.04 -1.26 -3.37 135.00 132.62 2daw s PRO 122 Ca 0.34 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2daw s PRO 122 Cb -0.10 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2daw s PRO 122 CO 0.29 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2daw n GLY 123 N 4.46 2.17 3.93 0.56 0.00 -1.26 -4.80 105.19 110.24 2daw n GLY 123 Ca 0.18 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 2.74 0.47 1.61 -1.05 -1.22 -4.90 118.70 116.36 2daw s GLU 124 Ca 0.00 -1.33 -0.17 0.00 -0.15 0.00 0.00 54.97 53.31 2daw s GLU 124 Cb 0.00 -2.58 -0.09 0.00 -0.44 0.00 0.00 34.13 31.03 2daw s GLU 124 CO 0.00 -0.14 0.95 -0.51 0.95 0.00 0.00 175.26 176.51 2daw s LEU 125 N -4.19 3.75 0.00 1.83 1.43 -1.26 -4.61 118.68 115.64 2daw s LEU 125 Ca 0.49 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 2daw s LEU 125 Cb -0.07 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2daw s LEU 125 CO 0.30 -0.49 0.00 0.00 0.23 0.00 0.00 176.35 176.39 2daw h VAL 127 N 0.00 0.69 -0.50 0.00 3.04 -1.98 0.22 116.25 117.72 2daw h VAL 127 Ca 0.00 -0.16 0.15 0.00 -1.01 0.00 0.00 66.70 65.68 2daw h VAL 127 Cb 0.86 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2daw h VAL 127 CO 0.00 0.08 0.39 0.00 -1.01 0.00 0.00 177.57 177.04 2daw h ALA 129 N 1.69 0.10 -1.02 0.00 0.00 -0.92 -3.35 119.26 115.75 2daw h ALA 129 Ca 0.24 -0.83 0.37 0.00 0.00 0.00 0.00 54.91 54.69 2daw h ALA 129 Cb 1.02 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2daw h ALA 129 CO -0.00 0.38 0.58 0.00 0.00 0.00 0.00 179.25 180.21 2daw h ALA 130 N -0.14 2.09 -1.33 0.00 0.00 -0.51 0.74 119.26 120.11 2daw h ALA 130 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2daw h ALA 130 Cb 1.29 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2daw h ALA 130 CO -0.03 -0.77 0.00 -0.89 0.00 0.00 0.00 179.25 177.56 2daw n ILE 131 N -5.10 0.00 -0.25 0.00 5.41 -1.07 -1.55 119.36 116.79 2daw n ILE 131 Ca 0.34 1.23 0.01 0.00 1.00 0.00 0.00 62.75 65.34 2daw n ILE 131 Cb 1.13 -2.21 0.08 0.00 -0.71 0.00 0.00 39.64 37.93 2daw n ILE 131 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2daw h GLN 132 N 0.00 0.00 -0.51 0.38 5.75 -1.56 0.56 115.11 119.73 2daw h GLN 132 Ca 0.00 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2daw h GLN 132 Cb 0.00 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.45 2daw h GLN 132 CO 0.00 0.00 -0.21 2.35 -2.65 0.00 0.00 178.83 178.32 2daw h TRP 133 N 0.00 -0.52 0.47 3.99 7.01 -0.91 0.66 115.95 126.65 2daw h TRP 133 Ca 0.35 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.38 2daw h TRP 133 Cb 0.53 0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 2daw h TRP 133 CO -0.58 -0.30 -0.23 -0.07 -2.79 0.00 0.00 178.44 174.48 2daw h LEU 134 N -0.09 -0.53 -0.68 0.65 3.38 0.09 0.42 115.31 118.54 2daw h LEU 134 Ca 0.24 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2daw h LEU 134 Cb 0.46 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 2daw h LEU 134 CO -0.57 -0.31 -0.14 1.56 0.09 0.00 0.00 178.44 179.06 2daw h GLN 135 N -0.73 0.01 0.00 1.13 4.20 -0.51 0.43 115.11 119.64 2daw h GLN 135 Ca -0.06 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2daw h GLN 135 Cb 0.53 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2daw h GLN 135 CO 0.11 0.01 -0.51 0.22 -0.67 0.00 0.00 178.83 177.98 2daw h ASP 136 N 0.01 0.00 -1.73 1.46 3.58 -0.78 -3.25 116.42 115.72 2daw h ASP 136 Ca 0.33 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 57.12 2daw h ASP 136 Cb 0.52 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.21 2daw h ASP 136 CO -0.68 0.51 0.03 0.59 -2.88 0.00 0.00 179.24 176.80 2daw n ASN 137 N -3.56 5.90 -0.01 2.28 3.02 0.15 -4.64 115.26 118.40 2daw n ASN 137 Ca -0.00 -3.77 -0.04 0.00 -0.03 0.00 0.00 54.58 50.74 2daw n ASN 137 Cb 0.60 -0.72 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.50 0.56 0.04 6.41 2.88 0.77 -4.74 113.62 119.03 2daw n SER 138 Ca 0.45 0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.97 2daw n SER 138 Cb 0.48 -0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.15 -0.24 -0.78 -1.46 0.00 -1.81 -0.21 119.26 114.61 2daw h ALA 139 Ca -0.08 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.02 2daw h ALA 139 Cb 0.83 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2daw h ALA 139 CO -0.05 -0.70 -0.15 0.43 0.00 0.00 0.00 179.25 178.78 2daw n SER 140 N -5.34 -0.24 -0.03 0.00 7.64 -1.26 0.23 113.62 114.61 2daw n SER 140 Ca -0.04 1.34 -0.15 0.00 1.01 0.00 0.00 58.87 61.03 2daw n SER 140 Cb 0.26 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.19 0.10 1.43 -1.99 -1.73 -3.39 116.97 111.59 2daw h TYR 141 Ca 0.40 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 2daw h TYR 141 Cb 0.65 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.37 2daw h TYR 141 CO -0.56 0.97 -0.05 0.74 -0.00 0.00 0.00 178.16 179.26 2daw h PHE 142 N -0.65 -0.13 -6.95 4.88 -1.00 0.14 -3.47 116.94 109.77 2daw h PHE 142 Ca -0.03 -0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.15 2daw h PHE 142 Cb 1.04 0.04 -0.13 0.00 3.61 0.00 0.00 35.95 40.52 2daw h PHE 142 CO 0.21 -0.08 -0.97 1.28 -1.61 0.00 0.00 178.31 177.14 2daw n LEU 143 N -2.48 -0.97 -4.68 1.54 4.77 0.61 -4.81 117.00 110.99 2daw n LEU 143 Ca -0.02 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.30 2daw n LEU 143 Cb 0.05 -1.70 -0.03 0.00 -2.33 0.00 0.00 43.42 39.41 2daw n LEU 143 CO 0.04 0.57 1.30 0.20 -1.33 0.00 0.00 177.39 178.16 2daw s ASN 144 N -4.11 6.69 -0.09 -1.43 0.01 -1.26 -4.96 114.94 109.79 2daw s ASN 144 Ca 0.16 2.28 -0.30 0.00 -0.71 0.00 0.00 52.86 54.29 2daw s ASN 144 Cb -0.08 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 2daw s ASN 144 CO 0.97 -0.86 1.12 -0.60 -1.51 0.00 0.00 177.10 176.22 2daw s ARG 145 N 3.21 4.37 -1.23 -0.60 6.06 -1.26 -3.88 118.95 125.62 2daw s ARG 145 Ca 0.71 1.54 -0.07 0.00 -2.50 0.00 0.00 55.73 55.41 2daw s ARG 145 Cb -0.35 -3.57 0.07 0.00 0.06 0.00 0.00 34.95 31.17 2daw s ARG 145 CO 0.29 -0.42 0.18 1.63 -2.50 0.00 0.00 175.30 174.48 2daw n LYS 146 N 5.26 -0.89 -1.57 5.12 4.76 -1.26 -4.69 118.16 124.89 2daw n LYS 146 Ca 0.10 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.20 2daw n LYS 146 Cb 0.47 -2.94 -0.04 0.00 -1.84 0.00 0.00 35.03 30.69 2daw n LYS 146 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2daw n LEU 147 N -3.40 2.92 -4.56 -0.35 -0.00 -1.25 -4.87 117.00 105.48 2daw n LEU 147 Ca -0.11 0.05 -0.37 0.00 -0.00 0.00 0.00 56.01 55.59 2daw n LEU 147 Cb 0.44 -1.53 -0.03 0.00 -0.00 0.00 0.00 43.42 42.29 2daw n LEU 147 CO 0.65 -0.90 1.48 -0.69 -0.00 0.00 0.00 177.39 177.94 2daw s VAL 148 N 9.16 3.79 -0.10 1.96 1.01 -1.26 -4.91 120.40 130.05 2daw s VAL 148 Ca 1.02 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 2daw s VAL 148 Cb -0.35 -4.75 0.04 0.00 0.00 0.00 0.00 36.38 31.32 2daw s VAL 148 CO 0.34 -1.63 0.25 -0.55 0.00 0.00 0.00 175.10 173.52 2daw s SER 149 N 5.85 -0.27 0.27 3.32 0.15 -1.26 -5.17 113.70 116.60 2daw s SER 149 Ca 0.54 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.73 2daw s SER 149 Cb -0.02 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2daw s SER 149 CO -0.05 -0.14 0.12 -0.83 1.20 0.00 0.00 173.24 173.54 2daw s GLY 150 N 0.86 1.85 -0.12 9.45 0.00 -1.26 -5.02 107.32 113.07 2daw s GLY 150 Ca -0.06 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.55 2daw s GLY 150 CO -0.05 -1.60 1.54 2.56 0.00 0.00 0.00 173.10 175.55 2daw s PRO 151 N -3.97 4.10 -0.68 2.90 0.04 -1.26 -4.91 135.00 131.23 2daw s PRO 151 Ca 0.37 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 2daw s PRO 151 Cb 0.07 -3.94 0.44 0.00 0.04 0.00 0.00 34.50 31.10 2daw s PRO 151 CO 0.15 -0.92 2.04 0.45 0.04 0.00 0.00 177.00 178.76 2daw n SER 152 N 7.31 7.68 -4.61 6.66 2.88 -1.26 -4.97 113.62 127.30 2daw n SER 152 Ca 0.17 -3.78 -0.43 0.00 -1.33 0.00 0.00 58.87 53.50 2daw n SER 152 Cb 0.44 -0.99 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 2daw n SER 152 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2daw s SER 153 N -1.72 5.98 0.00 -3.46 1.04 -1.26 -5.37 113.70 108.91 2daw s SER 153 Ca 0.63 1.50 0.15 0.00 0.48 0.00 0.00 55.95 58.70 2daw s SER 153 Cb 0.50 -2.53 0.88 0.00 0.10 0.00 0.00 66.02 64.97 2daw s SER 153 CO -0.04 -1.61 1.30 0.61 0.98 0.00 0.00 173.24 174.48