#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 -0.23 0.28 1.61 1.04 -1.26 -5.04 113.70 110.10 2daw s SER 2 Ca 0.00 0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 2daw s SER 2 Cb 0.00 0.37 0.57 0.00 0.10 0.00 0.00 66.02 67.05 2daw s SER 2 CO 0.00 -0.42 1.59 -1.28 0.98 0.00 0.00 173.24 174.11 2daw h SER 3 N 4.03 -0.56 0.00 7.02 0.87 -2.13 -3.46 113.55 119.32 2daw h SER 3 Ca -0.29 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2daw h SER 3 Cb 1.18 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2daw h SER 3 CO 0.39 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 2daw n GLY 4 N -1.51 -1.24 3.68 5.77 0.00 -1.26 -5.16 105.19 105.48 2daw n GLY 4 Ca 0.18 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 2daw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2daw s SER 5 N -4.00 4.74 -0.47 1.61 0.15 -1.26 -5.03 113.70 109.44 2daw s SER 5 Ca 0.00 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.10 2daw s SER 5 Cb 0.00 -0.97 0.26 0.00 -1.71 0.00 0.00 66.02 63.61 2daw s SER 5 CO 0.00 0.01 2.15 -1.20 1.20 0.00 0.00 173.24 175.41 2daw n SER 6 N -0.80 6.89 -0.36 5.45 7.64 -1.26 -4.72 113.62 126.45 2daw n SER 6 Ca -0.07 -3.34 0.06 0.00 1.01 0.00 0.00 58.87 56.52 2daw n SER 6 Cb 0.58 -1.07 0.13 0.00 -1.01 0.00 0.00 64.21 62.85 2daw n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daw n GLY 7 N 0.03 -1.70 2.29 0.23 0.00 -1.26 -1.23 105.19 103.56 2daw n GLY 7 Ca 0.44 1.07 -0.23 0.00 0.00 0.00 0.00 46.02 47.30 2daw n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2daw n MET 8 N -5.62 3.32 -3.79 1.61 0.00 -1.26 -5.04 117.12 106.35 2daw n MET 8 Ca 0.16 -4.24 -0.09 0.00 -0.00 0.00 0.00 57.70 53.52 2daw n MET 8 Cb 0.49 -2.18 -0.06 0.00 0.00 0.00 0.00 33.22 31.47 2daw n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2daw s SER 9 N -3.56 -0.03 0.47 6.12 0.01 -0.37 -5.18 113.70 111.16 2daw s SER 9 Ca 0.47 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.22 2daw s SER 9 Cb 0.40 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 67.01 2daw s SER 9 CO -0.06 -0.81 0.05 0.00 0.41 0.00 0.00 173.24 172.83 2daw s ALA 10 N -3.85 3.78 -0.06 1.44 0.00 -1.26 -4.79 121.76 117.01 2daw s ALA 10 Ca 0.06 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.83 2daw s ALA 10 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2daw s ALA 10 CO -0.10 -0.09 -0.19 -1.12 0.00 0.00 0.00 175.76 174.25 2daw s SER 11 N -3.85 3.56 0.33 0.00 0.01 -1.26 -5.01 113.70 107.48 2daw s SER 11 Ca 0.20 -0.36 0.13 0.00 1.31 0.00 0.00 55.95 57.23 2daw s SER 11 Cb 0.04 -0.84 1.04 0.00 0.21 0.00 0.00 66.02 66.47 2daw s SER 11 CO 0.11 0.29 1.65 0.58 0.41 0.00 0.00 173.24 176.28 2daw h VAL 12 N 4.70 0.26 -0.85 3.43 2.07 -1.99 -0.98 116.25 122.89 2daw h VAL 12 Ca -0.39 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2daw h VAL 12 Cb 1.16 -0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 2daw h VAL 12 CO 0.49 0.05 -0.57 0.11 0.02 0.00 0.00 177.57 177.67 2daw h LYS 13 N 0.26 -0.09 -0.37 1.57 1.57 -1.95 0.90 116.57 118.47 2daw h LYS 13 Ca 0.71 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.56 2daw h LYS 13 Cb 1.62 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.89 2daw h LYS 13 CO -0.64 -0.06 -0.01 0.93 -0.57 0.00 0.00 179.45 179.10 2daw h GLU 14 N -0.10 0.09 0.00 3.15 4.39 -1.59 0.39 114.58 120.91 2daw h GLU 14 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2daw h GLU 14 Cb 0.47 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2daw h GLU 14 CO -0.86 0.06 0.00 0.43 -1.16 0.00 0.00 179.01 177.48 2daw n SER 15 N -5.20 0.00 -0.37 1.42 7.64 0.24 -0.22 113.62 117.13 2daw n SER 15 Ca 0.02 0.93 -0.00 0.00 1.01 0.00 0.00 58.87 60.82 2daw n SER 15 Cb 0.19 -0.43 0.14 0.00 -1.01 0.00 0.00 64.21 63.10 2daw n SER 15 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2daw h LEU 16 N 0.00 1.10 -0.28 -3.43 3.38 -1.28 -2.78 115.31 112.02 2daw h LEU 16 Ca 0.00 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2daw h LEU 16 Cb 0.00 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.42 2daw h LEU 16 CO 0.00 0.76 -0.35 -0.61 0.09 0.00 0.00 178.44 178.34 2daw h GLN 17 N 1.28 -0.32 -0.13 1.13 5.75 0.55 0.34 115.11 123.71 2daw h GLN 17 Ca 0.39 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.95 2daw h GLN 17 Cb -0.02 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2daw h GLN 17 CO -0.12 -0.22 0.17 -0.07 -2.65 0.00 0.00 178.83 175.95 2daw h LEU 18 N -0.34 0.00 0.00 -2.39 3.38 -0.32 0.37 115.31 116.02 2daw h LEU 18 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2daw h LEU 18 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2daw h LEU 18 CO -0.46 0.00 -0.01 1.56 0.09 0.00 0.00 178.44 179.62 2daw h GLN 19 N 0.00 0.00 0.14 1.13 4.20 -0.25 -3.12 115.11 117.21 2daw h GLN 19 Ca 0.06 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.47 2daw h GLN 19 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2daw h GLN 19 CO -0.00 0.00 -1.47 -0.07 -0.67 0.00 0.00 178.83 176.62 2daw h LEU 20 N 0.00 0.47 -0.48 1.46 3.38 0.57 -3.22 115.31 117.49 2daw h LEU 20 Ca 0.00 -0.59 -0.17 0.00 0.09 0.00 0.00 57.88 57.21 2daw h LEU 20 Cb 0.76 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2daw h LEU 20 CO 0.00 1.48 -0.60 0.17 0.09 0.00 0.00 178.44 179.58 2daw h LEU 21 N 0.08 0.60 -1.60 1.67 8.10 -1.55 -2.93 115.31 119.68 2daw h LEU 21 Ca -0.22 -0.34 -0.02 0.00 0.11 0.00 0.00 57.88 57.41 2daw h LEU 21 Cb 2.03 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 42.07 2daw h LEU 21 CO 0.19 1.06 -0.10 1.05 -4.11 0.00 0.00 178.44 176.53 2daw h GLU 22 N 0.39 0.00 -0.44 0.17 4.11 -1.65 -2.76 114.58 114.40 2daw h GLU 22 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2daw h GLU 22 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2daw h GLU 22 CO 0.11 0.10 0.27 0.52 0.07 0.00 0.00 179.01 180.08 2daw h MET 23 N 0.00 0.59 0.24 1.06 2.86 -1.52 -1.37 114.93 116.79 2daw h MET 23 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2daw h MET 23 Cb 0.50 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2daw h MET 23 CO 0.01 0.41 -0.11 0.93 1.06 0.00 0.00 176.91 179.21 2daw h GLU 24 N 0.60 -0.31 -0.97 1.72 5.08 -1.62 -2.78 114.58 116.31 2daw h GLU 24 Ca 0.16 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.82 2daw h GLU 24 Cb -0.03 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.15 2daw h GLU 24 CO -0.03 -0.20 0.49 0.00 -1.00 0.00 0.00 179.01 178.26 2daw h MET 25 N -0.77 0.36 -0.28 2.33 -0.00 -1.60 0.22 114.93 115.18 2daw h MET 25 Ca -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2daw h MET 25 Cb 0.24 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 2daw h MET 25 CO 0.05 0.24 0.16 -0.07 -0.00 0.00 0.00 176.91 177.29 2daw h LEU 26 N 0.37 0.35 -0.09 -0.10 3.38 -1.33 -1.49 115.31 116.40 2daw h LEU 26 Ca 0.66 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.56 2daw h LEU 26 Cb 1.38 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2daw h LEU 26 CO -0.57 0.33 0.02 -0.26 0.09 0.00 0.00 178.44 178.04 2daw h PHE 27 N 0.34 0.03 -0.68 1.13 0.04 -0.33 -2.61 116.94 114.86 2daw h PHE 27 Ca 0.10 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.94 2daw h PHE 27 Cb 0.06 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.15 2daw h PHE 27 CO -0.03 0.01 0.38 1.03 -0.60 0.00 0.00 178.31 179.10 2daw h SER 28 N 0.06 0.56 0.12 2.17 0.87 -1.10 0.96 113.55 117.18 2daw h SER 28 Ca 0.04 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2daw h SER 28 Cb 0.03 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2daw h SER 28 CO -0.05 0.36 0.00 0.24 -0.53 0.00 0.00 176.83 176.85 2daw h MET 29 N 0.70 0.00 -2.97 2.24 2.86 -0.92 -3.29 114.93 113.56 2daw h MET 29 Ca 0.31 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.33 2daw h MET 29 Cb 0.20 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.45 2daw h MET 29 CO -0.19 0.00 -0.71 -0.06 1.06 0.00 0.00 176.91 177.01 2daw s PHE 30 N -3.77 2.50 0.28 -0.22 0.08 0.33 -4.95 117.98 112.24 2daw s PHE 30 Ca -0.03 -2.81 0.06 0.00 0.12 0.00 0.00 56.93 54.28 2daw s PHE 30 Cb 0.09 -2.11 0.39 0.00 -0.57 0.00 0.00 43.02 40.82 2daw s PHE 30 CO 0.31 -0.71 1.66 -1.00 -0.10 0.00 0.00 175.22 175.39 2daw h PRO 31 N 6.08 0.25 -6.58 0.24 0.13 -1.64 -3.46 132.00 127.02 2daw h PRO 31 Ca 0.08 -0.13 -0.55 0.00 -0.87 0.00 0.00 66.00 64.53 2daw h PRO 31 Cb 0.86 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.21 2daw h PRO 31 CO 0.57 0.66 -0.75 0.09 -0.23 0.00 0.00 178.00 178.34 2daw n ASN 32 N -3.98 -2.50 -4.41 1.44 4.13 -1.26 -4.94 115.26 103.73 2daw n ASN 32 Ca -0.02 0.41 -0.41 0.00 1.68 0.00 0.00 54.58 56.24 2daw n ASN 32 Cb 0.52 -1.12 -0.11 0.00 -1.54 0.00 0.00 39.78 37.53 2daw n ASN 32 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2daw s GLN 33 N -2.96 2.93 0.00 3.52 0.74 -1.26 -4.40 119.66 118.24 2daw s GLN 33 Ca 0.57 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.96 2daw s GLN 33 Cb -0.27 -3.78 0.00 0.00 1.10 0.00 0.00 33.01 30.06 2daw s GLN 33 CO 0.67 -0.68 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 2daw n GLY 34 N 5.04 1.75 0.00 2.59 0.00 -1.26 -5.08 105.19 108.24 2daw n GLY 34 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.30 0.00 -2.63 1.61 -0.58 -1.26 -4.88 120.64 112.60 2daw n GLU 35 Ca 0.00 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2daw n GLU 35 Cb 0.00 -0.53 -0.03 0.00 -0.57 0.00 0.00 31.44 30.31 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 -1.01 4.07 -0.53 2.62 1.01 -1.26 -3.75 120.40 121.55 2daw s VAL 36 Ca -0.00 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 2daw s VAL 36 Cb 0.00 -4.70 0.08 0.00 0.00 0.00 0.00 36.38 31.76 2daw s VAL 36 CO 0.00 -1.32 0.61 -0.54 0.00 0.00 0.00 175.10 173.85 2daw s LYS 37 N 4.80 3.07 -0.47 2.72 1.02 -1.01 -4.96 119.74 124.91 2daw s LYS 37 Ca 0.40 -1.16 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 2daw s LYS 37 Cb -0.08 -4.18 0.03 0.00 -0.52 0.00 0.00 37.83 33.08 2daw s LYS 37 CO 0.24 -1.32 0.94 -0.51 -0.92 0.00 0.00 175.35 173.78 2daw s LEU 38 N 2.44 4.00 0.46 3.17 1.43 -1.26 -3.00 118.68 125.92 2daw s LEU 38 Ca 0.11 0.08 0.29 0.00 -1.03 0.00 0.00 54.13 53.58 2daw s LEU 38 Cb -0.22 -3.17 1.35 0.00 0.03 0.00 0.00 46.19 44.18 2daw s LEU 38 CO 0.09 -1.08 1.75 -0.33 0.23 0.00 0.00 176.35 177.00 2daw h GLU 39 N 9.12 0.18 -3.70 1.70 4.39 -1.96 -3.38 114.58 120.93 2daw h GLU 39 Ca -0.24 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.14 2daw h GLU 39 Cb 1.07 -0.04 -0.32 0.00 -0.10 0.00 0.00 28.75 29.36 2daw h GLU 39 CO 1.04 0.12 -0.74 0.16 -1.16 0.00 0.00 179.01 178.43 2daw s ASP 40 N -5.02 0.23 0.09 1.42 -4.77 -1.26 -5.03 116.67 102.33 2daw s ASP 40 Ca -0.07 -0.00 0.01 0.00 -3.30 0.00 0.00 52.55 49.19 2daw s ASP 40 Cb 0.25 -0.11 -0.25 0.00 -1.09 0.00 0.00 42.92 41.72 2daw s ASP 40 CO 0.81 -0.08 1.19 -0.37 0.70 0.00 0.00 175.17 177.42 2daw h VAL 41 N 5.97 1.58 0.00 2.11 -1.51 -2.02 -3.17 116.25 119.21 2daw h VAL 41 Ca -0.39 -3.22 0.00 0.00 -1.23 0.00 0.00 66.70 61.86 2daw h VAL 41 Cb 1.15 2.89 0.00 0.00 -2.13 0.00 0.00 31.29 33.20 2daw h VAL 41 CO 0.49 0.93 0.00 -0.46 -1.23 0.00 0.00 177.57 177.29 2daw n ASN 42 N -3.44 0.00 -0.29 4.19 0.23 -1.26 -3.64 115.26 111.05 2daw n ASN 42 Ca -0.05 -1.19 -0.05 0.00 -0.53 0.00 0.00 54.58 52.76 2daw n ASN 42 Cb 0.99 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.77 2daw n ASN 42 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2daw h ALA 43 N 3.68 1.07 -0.17 -2.53 0.00 -1.89 -1.06 119.26 118.36 2daw h ALA 43 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2daw h ALA 43 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2daw h ALA 43 CO 0.00 0.66 -0.14 -0.07 0.00 0.00 0.00 179.25 179.70 2daw h LEU 44 N 1.16 0.42 0.78 0.00 3.38 -1.81 -3.26 115.31 115.98 2daw h LEU 44 Ca 0.27 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2daw h LEU 44 Cb 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2daw h LEU 44 CO -0.02 0.79 -0.38 0.74 0.09 0.00 0.00 178.44 179.66 2daw h THR 45 N 0.05 0.00 -0.80 0.22 2.02 -1.74 -2.73 112.91 109.93 2daw h THR 45 Ca 0.03 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.52 2daw h THR 45 Cb 0.66 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.96 2daw h THR 45 CO 0.04 0.00 0.48 0.59 0.37 0.00 0.00 175.52 176.99 2daw n ASN 46 N -4.84 0.20 0.11 4.18 3.02 -0.41 0.18 115.26 117.69 2daw n ASN 46 Ca -0.13 1.07 -0.13 0.00 -0.03 0.00 0.00 54.58 55.35 2daw n ASN 46 Cb 0.42 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 2daw n ASN 46 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2daw h ILE 47 N 0.00 0.90 0.46 2.41 2.04 -1.53 -2.40 117.51 119.40 2daw h ILE 47 Ca 0.60 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 2daw h ILE 47 Cb 1.73 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2daw h ILE 47 CO -0.44 0.09 -0.47 0.11 0.00 0.00 0.00 178.15 177.44 2daw h LYS 48 N -0.43 -0.91 -0.69 2.37 1.57 0.20 -1.24 116.57 117.44 2daw h LYS 48 Ca -0.02 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 2daw h LYS 48 Cb 0.33 0.21 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 2daw h LYS 48 CO 0.04 -0.61 -0.30 0.00 -0.57 0.00 0.00 179.45 178.01 2daw h ARG 49 N -0.94 -0.09 -0.17 3.15 -0.00 -1.45 -0.26 114.38 114.61 2daw h ARG 49 Ca -0.05 0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.48 2daw h ARG 49 Cb 0.83 0.02 -0.05 0.00 0.00 0.00 0.00 29.97 30.77 2daw h ARG 49 CO -0.07 -0.06 -0.13 -0.92 0.00 0.00 0.00 179.97 178.79 2daw h TYR 50 N -0.10 -0.33 -0.25 3.04 5.03 -1.15 0.28 116.97 123.49 2daw h TYR 50 Ca 0.28 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.69 2daw h TYR 50 Cb 0.56 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 2daw h TYR 50 CO -0.66 -0.20 0.74 -0.07 -1.32 0.00 0.00 178.16 176.66 2daw h LEU 51 N -0.14 0.00 0.00 2.82 3.38 0.18 1.34 115.31 122.89 2daw h LEU 51 Ca 0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.76 2daw h LEU 51 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2daw h LEU 51 CO -0.25 0.00 -1.87 1.21 0.09 0.00 0.00 178.44 177.62 2daw n GLU 52 N -2.94 0.65 -0.31 1.13 2.13 0.04 -5.00 120.64 116.34 2daw n GLU 52 Ca 0.05 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2daw n GLU 52 Cb 0.84 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.82 2daw n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2daw n GLY 53 N 1.61 1.64 0.00 8.31 0.00 0.46 -4.99 105.19 112.22 2daw n GLY 53 Ca -0.21 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.57 0.00 -3.57 2.61 5.66 -1.20 -4.69 114.28 111.52 2daw n THR 54 Ca 0.00 -0.21 -0.28 0.00 -3.05 0.00 0.00 64.05 60.52 2daw n THR 54 Cb 0.07 0.59 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 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 -3.19 1.38 0.26 1.09 3.52 -1.26 -4.98 118.95 115.76 2daw s ARG 55 Ca 0.01 -2.44 -0.07 0.00 -0.13 0.00 0.00 55.73 53.10 2daw s ARG 55 Cb 0.15 -2.07 0.46 0.00 -1.56 0.00 0.00 34.95 31.93 2daw s ARG 55 CO 0.88 -1.34 1.59 0.93 -0.81 0.00 0.00 175.30 176.55 2daw h GLU 56 N 5.69 0.03 -6.04 5.12 5.08 -1.94 -3.40 114.58 119.11 2daw h GLU 56 Ca 0.21 -0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.80 2daw h GLU 56 Cb 0.87 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2daw h GLU 56 CO 0.48 0.02 1.10 0.00 -1.00 0.00 0.00 179.01 179.61 2daw n ALA 57 N -3.25 -0.01 -1.64 3.43 0.00 -1.26 -4.77 120.51 113.01 2daw n ALA 57 Ca 0.15 0.25 -0.53 0.00 0.00 0.00 0.00 53.44 53.31 2daw n ALA 57 Cb 0.51 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 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 6.74 2.11 -4.77 0.00 -0.00 -1.26 -4.92 117.00 114.90 2daw n LEU 58 Ca 0.39 1.09 -0.33 0.00 -0.00 0.00 0.00 56.01 57.16 2daw n LEU 58 Cb 0.06 -1.21 0.04 0.00 -0.00 0.00 0.00 43.42 42.32 2daw n LEU 58 CO 0.84 -0.73 0.75 -2.16 -0.00 0.00 0.00 177.39 176.08 2daw s PRO 59 N 1.67 2.88 0.20 1.96 0.04 -1.26 -4.99 135.00 135.50 2daw s PRO 59 Ca 0.89 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2daw s PRO 59 Cb -0.95 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 2daw s PRO 59 CO 0.52 -1.19 1.30 -1.25 0.04 0.00 0.00 177.00 176.42 2daw s PRO 60 N -3.98 4.39 0.65 0.56 0.04 -1.26 -4.99 135.00 130.41 2daw s PRO 60 Ca 0.68 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.59 2daw s PRO 60 Cb -0.21 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 2daw s PRO 60 CO 0.39 -0.25 1.25 -1.59 0.04 0.00 0.00 177.00 176.85 2daw s LYS 61 N -0.12 2.60 -1.04 4.56 -2.85 -1.26 -4.87 119.74 116.75 2daw s LYS 61 Ca 0.56 1.93 -0.23 0.00 -1.00 0.00 0.00 55.97 57.23 2daw s LYS 61 Cb -0.36 -1.87 0.05 0.00 -2.06 0.00 0.00 37.83 33.58 2daw s LYS 61 CO 0.38 -1.52 1.52 0.42 0.10 0.00 0.00 175.35 176.24 2daw s ILE 62 N -1.58 3.91 -0.17 3.79 1.01 -1.22 -4.96 121.20 121.99 2daw s ILE 62 Ca 0.79 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 2daw s ILE 62 Cb -0.34 -5.01 -0.02 0.00 0.01 0.00 0.00 42.46 37.11 2daw s ILE 62 CO 0.39 -1.88 -0.08 -0.70 0.00 0.00 0.00 174.94 172.67 2daw s GLU 63 N 5.03 3.46 0.37 2.79 2.12 -1.26 -3.42 118.70 127.79 2daw s GLU 63 Ca 0.49 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 2daw s GLU 63 Cb 0.00 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.58 2daw s GLU 63 CO -0.07 0.08 0.59 -0.59 -0.54 0.00 0.00 175.26 174.73 2daw s PHE 64 N 0.74 0.84 -0.09 5.30 -0.12 -1.17 -3.66 117.98 119.81 2daw s PHE 64 Ca -0.03 -1.21 0.02 0.00 -0.05 0.00 0.00 56.93 55.65 2daw s PHE 64 Cb -0.15 0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.45 2daw s PHE 64 CO 0.02 -1.31 -0.13 0.08 -0.05 0.00 0.00 175.22 173.83 2daw s VAL 65 N -2.64 1.28 -0.20 -2.49 1.01 -1.16 -1.67 120.40 114.52 2daw s VAL 65 Ca 0.26 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2daw s VAL 65 Cb -0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2daw s VAL 65 CO 0.19 0.39 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 2daw s ILE 66 N 0.96 4.12 -0.15 2.22 1.01 -0.17 -2.40 121.20 126.80 2daw s ILE 66 Ca -0.08 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 2daw s ILE 66 Cb -0.15 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2daw s ILE 66 CO -0.00 0.42 1.17 -0.89 0.00 0.00 0.00 174.94 175.64 2daw s THR 67 N 0.97 4.43 -0.79 2.92 2.01 -1.25 -2.10 115.64 121.84 2daw s THR 67 Ca 0.02 1.73 -0.19 0.00 0.31 0.00 0.00 61.69 63.56 2daw s THR 67 Cb -0.14 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.38 2daw s THR 67 CO 0.02 -0.10 0.96 -0.76 -0.69 0.00 0.00 174.62 174.06 2daw s LEU 68 N 2.93 5.19 -1.31 4.42 2.01 -0.89 -4.96 118.68 126.06 2daw s LEU 68 Ca 0.52 -1.77 -0.17 0.00 0.01 0.00 0.00 54.13 52.72 2daw s LEU 68 Cb -0.20 -2.36 0.08 0.00 0.01 0.00 0.00 46.19 43.71 2daw s LEU 68 CO 0.15 -1.10 1.76 1.67 1.01 0.00 0.00 176.35 179.84 2daw n GLN 69 N 6.45 3.19 -1.62 1.70 0.00 -1.26 -3.09 117.38 122.75 2daw n GLN 69 Ca 0.10 -3.27 -0.44 0.00 -0.00 0.00 0.00 57.00 53.38 2daw n GLN 69 Cb 0.47 -3.43 -0.04 0.00 0.00 0.00 0.00 30.24 27.24 2daw n GLN 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2daw n ILE 70 N 6.07 0.52 -0.32 1.69 2.08 -1.23 -4.84 119.36 123.34 2daw n ILE 70 Ca 0.48 -0.28 0.18 0.00 0.56 0.00 0.00 62.75 63.69 2daw n ILE 70 Cb 0.45 -2.31 0.38 0.00 -0.75 0.00 0.00 39.64 37.40 2daw n ILE 70 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2daw h GLU 71 N 12.46 0.25 -1.71 0.38 5.08 -1.92 -3.21 114.58 125.91 2daw h GLU 71 Ca -0.44 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2daw h GLU 71 Cb 1.25 -0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.20 2daw h GLU 71 CO 0.96 0.16 0.26 -1.83 -1.00 0.00 0.00 179.01 177.56 2daw s GLU 72 N -5.81 0.51 0.07 2.33 -1.05 -1.26 -3.39 118.70 110.10 2daw s GLU 72 Ca -0.11 0.85 -0.31 0.00 -0.15 0.00 0.00 54.97 55.25 2daw s GLU 72 Cb 0.28 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 34.02 2daw s GLU 72 CO 0.78 -0.10 1.40 -1.25 0.95 0.00 0.00 175.26 177.04 2daw s PRO 73 N 1.30 4.31 -0.87 -4.83 0.04 -1.26 -4.58 135.00 129.11 2daw s PRO 73 Ca -0.08 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 2daw s PRO 73 Cb -0.04 -3.39 -0.22 0.00 0.04 0.00 0.00 34.50 30.88 2daw s PRO 73 CO -0.15 -0.49 2.34 1.17 0.04 0.00 0.00 177.00 179.90 2daw n LYS 74 N 4.57 0.32 -3.65 4.56 3.00 -1.21 -4.73 118.16 121.02 2daw n LYS 74 Ca 0.12 -0.34 -0.16 0.00 -0.00 0.00 0.00 58.31 57.93 2daw n LYS 74 Cb 0.43 -2.34 -0.05 0.00 0.00 0.00 0.00 35.03 33.07 2daw n LYS 74 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2daw n VAL 75 N 7.23 0.00 -4.83 3.15 0.24 -1.22 -5.02 118.33 117.88 2daw n VAL 75 Ca 0.57 -1.69 -0.29 0.00 -2.04 0.00 0.00 64.34 60.88 2daw n VAL 75 Cb 0.28 0.70 -0.17 0.00 -1.47 0.00 0.00 33.84 33.18 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 -3.04 2.50 -0.32 7.34 2.20 -1.26 -3.54 119.74 123.61 2daw s LYS 76 Ca 0.20 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 2daw s LYS 76 Cb 0.01 -1.98 0.10 0.00 -1.51 0.00 0.00 37.83 34.45 2daw s LYS 76 CO 0.14 0.07 0.10 0.42 -0.36 0.00 0.00 175.35 175.71 2daw s ILE 77 N 0.62 1.15 -0.19 5.43 1.01 -1.18 -4.69 121.20 123.35 2daw s ILE 77 Ca -0.14 -1.62 -0.29 0.00 0.00 0.00 0.00 60.65 58.60 2daw s ILE 77 Cb -0.16 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2daw s ILE 77 CO 0.04 -0.67 1.87 1.51 0.00 0.00 0.00 174.94 177.69 2daw s ASP 78 N 1.43 6.06 -0.38 3.58 -4.77 -1.20 -2.11 116.67 119.28 2daw s ASP 78 Ca 0.10 1.82 -0.11 0.00 -3.30 0.00 0.00 52.55 51.06 2daw s ASP 78 Cb -0.18 -2.52 0.03 0.00 -1.09 0.00 0.00 42.92 39.16 2daw s ASP 78 CO -0.21 -1.49 0.22 -0.22 0.70 0.00 0.00 175.17 174.17 2daw s LEU 79 N 6.21 4.82 -0.59 2.11 2.96 -0.89 -2.90 118.68 130.38 2daw s LEU 79 Ca 0.84 -1.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.49 2daw s LEU 79 Cb -0.30 -2.04 0.07 0.00 0.50 0.00 0.00 46.19 44.43 2daw s LEU 79 CO 0.34 -0.41 0.83 -1.10 -1.32 0.00 0.00 176.35 174.69 2daw s GLN 80 N 1.55 3.14 0.11 1.98 -1.52 0.15 -0.99 119.66 124.07 2daw s GLN 80 Ca 0.02 -0.86 -0.13 0.00 -1.95 0.00 0.00 55.36 52.45 2daw s GLN 80 Cb -0.20 -4.18 -0.06 0.00 -0.22 0.00 0.00 33.01 28.35 2daw s GLN 80 CO 0.07 -1.57 0.48 0.54 -0.25 0.00 0.00 175.29 174.55 2daw s VAL 81 N 3.43 4.96 -0.22 1.09 0.11 -0.67 -2.08 120.40 127.02 2daw s VAL 81 Ca 0.20 0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 59.91 2daw s VAL 81 Cb -0.18 -3.70 0.07 0.00 -1.53 0.00 0.00 36.38 31.04 2daw s VAL 81 CO 0.11 0.30 0.08 -0.89 -3.33 0.00 0.00 175.10 171.37 2daw s THR 82 N -1.39 0.28 -0.51 5.04 2.01 -1.11 -3.07 115.64 116.89 2daw s THR 82 Ca 0.34 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 2daw s THR 82 Cb -0.15 -0.97 0.13 0.00 0.01 0.00 0.00 72.50 71.52 2daw s THR 82 CO 0.18 -0.39 0.38 -0.04 -0.69 0.00 0.00 174.62 174.06 2daw s MET 83 N 1.96 2.55 0.89 4.92 -1.94 -1.22 -3.45 119.30 123.01 2daw s MET 83 Ca 0.03 -1.87 -0.15 0.00 -1.71 0.00 0.00 55.69 51.99 2daw s MET 83 Cb -0.17 -3.94 0.22 0.00 2.01 0.00 0.00 34.83 32.95 2daw s MET 83 CO -0.16 -1.20 0.79 -0.35 -0.01 0.00 0.00 175.02 174.08 2daw n PRO 84 N 4.74 -2.55 0.00 2.03 -0.04 -1.26 -3.39 135.00 134.53 2daw n PRO 84 Ca -0.05 -1.26 0.11 0.00 -0.04 0.00 0.00 63.50 62.26 2daw n PRO 84 Cb 0.41 -1.18 0.64 0.00 -0.04 0.00 0.00 33.50 33.33 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 -4.20 0.00 -0.07 0.54 8.25 -1.26 -3.68 115.22 114.80 2daw n HIS 85 Ca 0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.51 2daw n HIS 85 Cb 0.42 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 2daw n HIS 85 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2daw n SER 86 N -1.06 1.46 -3.04 0.41 7.64 -1.26 -4.39 113.62 113.38 2daw n SER 86 Ca 0.15 0.33 -0.29 0.00 1.01 0.00 0.00 58.87 60.07 2daw n SER 86 Cb 0.09 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2daw n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2daw n TYR 87 N -4.02 -1.62 0.22 1.43 4.19 -1.24 -2.52 117.16 113.61 2daw n TYR 87 Ca -0.09 0.42 0.09 0.00 3.31 0.00 0.00 57.90 61.63 2daw n TYR 87 Cb 0.35 -1.25 0.49 0.00 0.49 0.00 0.00 39.34 39.42 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 0.18 0.00 -0.70 2.98 0.13 -1.81 -3.41 132.00 129.37 2daw h PRO 88 Ca -0.27 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.11 2daw h PRO 88 Cb 1.03 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.03 2daw h PRO 88 CO 0.32 0.24 0.22 0.66 -0.23 0.00 0.00 178.00 179.21 2daw n TYR 89 N -3.51 0.65 -3.96 1.56 4.02 -1.05 -4.16 117.16 110.71 2daw n TYR 89 Ca -0.01 0.83 -0.31 0.00 -0.01 0.00 0.00 57.90 58.40 2daw n TYR 89 Cb 0.40 -1.15 -0.05 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 -9.48 4.20 -0.81 7.72 0.20 -1.25 -4.73 118.68 114.53 2daw s LEU 90 Ca -0.07 0.19 -0.25 0.00 0.69 0.00 0.00 54.13 54.69 2daw s LEU 90 Cb 0.22 -2.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.18 2daw s LEU 90 CO 0.54 0.18 1.71 0.00 -0.29 0.00 0.00 176.35 178.49 2daw s ALA 91 N -1.46 2.20 0.98 5.97 0.00 -1.26 -3.98 121.76 124.22 2daw s ALA 91 Ca 0.33 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2daw s ALA 91 Cb -0.13 -4.42 0.14 0.00 0.00 0.00 0.00 23.12 18.71 2daw s ALA 91 CO 0.26 -4.05 0.20 1.47 0.00 0.00 0.00 175.76 173.64 2daw n LEU 92 N 11.85 -1.53 -3.98 0.00 -0.00 -1.26 -5.00 117.00 117.09 2daw n LEU 92 Ca 0.26 -0.33 -0.28 0.00 -0.00 0.00 0.00 56.01 55.67 2daw n LEU 92 Cb 0.50 -0.75 -0.17 0.00 -0.00 0.00 0.00 43.42 43.00 2daw n LEU 92 CO 0.66 -3.14 -0.46 -1.58 -0.00 0.00 0.00 177.39 172.87 2daw s GLN 93 N -3.32 1.86 0.07 1.47 0.74 -1.22 -5.05 119.66 114.20 2daw s GLN 93 Ca 0.35 -0.40 0.07 0.00 0.05 0.00 0.00 55.36 55.43 2daw s GLN 93 Cb -0.05 -1.73 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 2daw s GLN 93 CO 0.35 -0.18 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.27 2daw s LEU 94 N 1.37 2.86 -0.17 3.68 1.43 -1.26 -2.76 118.68 123.82 2daw s LEU 94 Ca -0.00 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2daw s LEU 94 Cb -0.13 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.47 2daw s LEU 94 CO -0.06 0.22 0.09 0.12 0.23 0.00 0.00 176.35 176.95 2daw s PHE 95 N -1.08 0.18 -0.24 0.29 2.19 -0.88 -4.99 117.98 113.45 2daw s PHE 95 Ca 0.18 -0.30 0.01 0.00 0.33 0.00 0.00 56.93 57.15 2daw s PHE 95 Cb -0.11 -0.68 0.04 0.00 -1.31 0.00 0.00 43.02 40.96 2daw s PHE 95 CO 0.10 -0.52 -0.11 0.20 1.83 0.00 0.00 175.22 176.72 2daw s GLY 96 N 2.15 1.59 0.03 13.12 0.00 -1.26 -0.67 107.32 122.27 2daw s GLY 96 Ca 0.02 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.25 2daw s GLY 96 CO -0.09 0.50 -0.08 1.09 0.00 0.00 0.00 173.10 174.51 2daw s ARG 97 N 1.24 0.57 0.01 2.90 1.70 -1.14 -4.91 118.95 119.31 2daw s ARG 97 Ca -0.02 -0.65 -0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2daw s ARG 97 Cb -0.17 -0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 33.76 2daw s ARG 97 CO -0.07 0.09 0.01 0.45 -1.08 0.00 0.00 175.30 174.71 2daw s SER 98 N -1.23 0.16 0.34 -2.89 0.15 -1.26 -3.21 113.70 105.76 2daw s SER 98 Ca -0.06 -0.36 0.13 0.00 0.70 0.00 0.00 55.95 56.37 2daw s SER 98 Cb -0.08 0.11 0.98 0.00 -1.71 0.00 0.00 66.02 65.32 2daw s SER 98 CO 0.01 -0.26 1.73 0.77 1.20 0.00 0.00 173.24 176.68 2daw h SER 99 N 4.83 0.59 0.06 5.45 4.64 -2.02 0.31 113.55 127.40 2daw h SER 99 Ca -0.31 0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 60.95 2daw h SER 99 Cb 1.21 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2daw h SER 99 CO 0.42 0.07 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.41 2daw h GLU 100 N 0.50 0.58 -6.29 4.77 4.39 -1.96 -3.43 114.58 113.14 2daw h GLU 100 Ca 0.65 -0.45 -0.55 0.00 0.34 0.00 0.00 59.36 59.34 2daw h GLU 100 Cb 1.38 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 2daw h GLU 100 CO -0.45 1.08 0.62 -0.51 -1.16 0.00 0.00 179.01 178.59 2daw s LEU 101 N -8.20 4.26 0.78 1.33 1.43 0.11 -5.04 118.68 113.35 2daw s LEU 101 Ca -0.08 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.63 2daw s LEU 101 Cb 0.10 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.90 2daw s LEU 101 CO 0.86 -0.50 1.08 -1.81 0.23 0.00 0.00 176.35 176.21 2daw s ASP 102 N 1.25 4.08 0.32 2.29 1.01 -1.26 -4.30 116.67 120.06 2daw s ASP 102 Ca 0.52 -0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.68 2daw s ASP 102 Cb -0.21 -0.21 0.57 0.00 1.01 0.00 0.00 42.92 44.08 2daw s ASP 102 CO 0.20 -2.06 1.94 -0.09 0.21 0.00 0.00 175.17 175.38 2daw h ARG 103 N -0.82 0.94 0.00 8.23 2.43 -1.96 -1.44 114.38 121.76 2daw h ARG 103 Ca -0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2daw h ARG 103 Cb 1.26 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2daw h ARG 103 CO 0.42 0.62 0.00 1.58 -1.51 0.00 0.00 179.97 181.08 2daw n HIS 104 N -4.46 0.00 -0.33 2.20 -0.00 -1.26 -2.33 115.22 109.04 2daw n HIS 104 Ca 0.11 0.00 0.25 0.00 0.46 0.00 0.00 57.72 58.54 2daw n HIS 104 Cb 0.15 -0.38 0.47 0.00 -0.12 0.00 0.00 29.99 30.12 2daw n HIS 104 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2daw h GLN 105 N 0.00 0.09 -0.42 1.57 4.20 -1.94 0.61 115.11 119.21 2daw h GLN 105 Ca 0.00 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2daw h GLN 105 Cb 0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2daw h GLN 105 CO 0.00 0.06 0.14 1.96 -0.67 0.00 0.00 178.83 180.32 2daw h GLN 106 N 0.09 0.30 -0.98 1.46 4.20 -1.28 -0.76 115.11 118.14 2daw h GLN 106 Ca 0.74 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.53 2daw h GLN 106 Cb 1.79 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 29.43 2daw h GLN 106 CO -0.76 0.20 0.61 1.37 -0.67 0.00 0.00 178.83 179.58 2daw h LEU 107 N 0.30 0.93 0.21 1.46 8.10 0.63 -0.32 115.31 126.62 2daw h LEU 107 Ca 0.20 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.21 2daw h LEU 107 Cb 0.19 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 2daw h LEU 107 CO -0.21 0.53 -0.10 -0.07 -4.11 0.00 0.00 178.44 174.49 2daw h LEU 108 N 1.03 -0.23 -0.04 0.17 3.38 -1.03 -1.25 115.31 117.33 2daw h LEU 108 Ca 0.46 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2daw h LEU 108 Cb 0.36 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2daw h LEU 108 CO -0.23 0.13 -0.29 0.25 0.09 0.00 0.00 178.44 178.39 2daw h LEU 109 N -0.63 -0.87 0.33 1.67 5.85 -0.78 -2.03 115.31 118.86 2daw h LEU 109 Ca -0.03 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2daw h LEU 109 Cb 0.45 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 2daw h LEU 109 CO 0.05 -0.35 -0.24 0.78 -0.34 0.00 0.00 178.44 178.35 2daw h ASN 110 N -0.41 -0.61 -1.17 1.25 2.35 -1.12 -1.57 115.58 114.30 2daw h ASN 110 Ca 0.07 0.04 0.34 0.00 -0.55 0.00 0.00 56.30 56.20 2daw h ASN 110 Cb 0.52 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.03 2daw h ASN 110 CO -0.28 -0.34 1.25 0.11 -1.65 0.00 0.00 177.43 176.52 2daw h LYS 111 N -0.54 0.00 0.21 0.81 1.57 -1.16 1.35 116.57 118.82 2daw h LYS 111 Ca -0.04 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.39 2daw h LYS 111 Cb 0.44 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.77 2daw h LYS 111 CO 0.02 0.00 -1.63 0.78 -0.57 0.00 0.00 179.45 178.05 2daw h GLY 112 N 0.00 0.52 0.27 3.86 0.00 -0.56 -3.34 103.07 103.81 2daw h GLY 112 Ca 0.55 -1.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2daw h GLY 112 CO -0.01 1.16 -0.07 -2.00 0.00 0.00 0.00 176.54 175.63 2daw h LEU 113 N 0.11 -0.17 -0.75 3.11 5.85 0.26 -3.11 115.31 120.62 2daw h LEU 113 Ca -0.31 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.16 2daw h LEU 113 Cb 2.12 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 43.10 2daw h LEU 113 CO 0.22 0.41 -0.43 0.35 -0.34 0.00 0.00 178.44 178.64 2daw n THR 114 N -4.89 -0.50 0.25 1.05 -2.24 0.02 -0.26 114.28 107.71 2daw n THR 114 Ca -0.07 1.80 -0.16 0.00 -2.27 0.00 0.00 64.05 63.35 2daw n THR 114 Cb 0.24 -2.23 -0.08 0.00 -2.10 0.00 0.00 70.33 66.15 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 -1.09 -1.21 3.42 0.02 -1.69 0.11 113.55 113.11 2daw h SER 115 Ca 0.13 0.09 0.35 0.00 -0.84 0.00 0.00 61.79 61.51 2daw h SER 115 Cb 0.31 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 2daw h SER 115 CO -0.70 -0.56 0.84 0.22 -1.14 0.00 0.00 176.83 175.49 2daw h TYR 116 N -0.84 0.18 0.08 3.45 5.03 -0.67 0.70 116.97 124.91 2daw h TYR 116 Ca -0.04 0.01 -0.27 0.00 2.58 0.00 0.00 58.73 61.01 2daw h TYR 116 Cb 0.74 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2daw h TYR 116 CO -0.21 -0.00 -1.27 0.82 -1.32 0.00 0.00 178.16 176.17 2daw h ILE 117 N 0.10 1.44 -0.00 1.81 1.08 0.43 -3.26 117.51 119.10 2daw h ILE 117 Ca 0.61 -3.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.00 2daw h ILE 117 Cb 2.20 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 38.79 2daw h ILE 117 CO -0.10 0.87 -0.06 0.61 -0.69 0.00 0.00 178.15 178.78 2daw n GLY 118 N 1.52 -1.15 0.07 5.37 0.00 0.22 -3.32 105.19 107.89 2daw n GLY 118 Ca -0.09 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.16 0.46 -1.37 2.61 -2.24 0.44 -4.83 114.28 108.20 2daw n THR 119 Ca 0.14 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.60 2daw n THR 119 Cb 0.26 -0.66 0.17 0.00 -2.10 0.00 0.00 70.33 68.00 2daw n THR 119 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2daw n PHE 120 N -1.96 -3.86 -4.21 4.78 3.01 -1.21 -5.08 117.46 108.92 2daw n PHE 120 Ca 0.05 -0.83 -0.22 0.00 1.01 0.00 0.00 57.45 57.46 2daw n PHE 120 Cb 0.36 -0.81 -0.06 0.00 -0.01 0.00 0.00 39.48 38.96 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 -4.27 4.99 -1.00 4.37 1.01 -1.26 -5.04 116.67 115.48 2daw s ASP 121 Ca 0.55 -0.47 -0.24 0.00 0.71 0.00 0.00 52.55 53.11 2daw s ASP 121 Cb -0.03 -1.10 -0.06 0.00 1.01 0.00 0.00 42.92 42.74 2daw s ASP 121 CO 0.40 -0.02 1.94 -2.16 0.21 0.00 0.00 175.17 175.54 2daw s PRO 122 N -3.76 2.54 0.00 8.23 0.04 -1.26 -2.55 135.00 138.24 2daw s PRO 122 Ca 0.32 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2daw s PRO 122 Cb -0.07 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2daw s PRO 122 CO 0.22 -3.58 0.00 0.41 0.04 0.00 0.00 177.00 174.09 2daw n GLY 123 N 6.50 0.29 3.97 0.56 0.00 -1.26 -4.74 105.19 110.52 2daw n GLY 123 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 2daw n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2daw s GLU 124 N 0.00 2.45 -0.01 1.61 2.02 -1.06 -4.92 118.70 118.79 2daw s GLU 124 Ca 0.00 -0.80 -0.10 0.00 0.02 0.00 0.00 54.97 54.09 2daw s GLU 124 Cb 0.00 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 2daw s GLU 124 CO 0.00 -0.80 0.32 -0.51 0.02 0.00 0.00 175.26 174.29 2daw s LEU 125 N -4.81 4.41 -0.06 1.80 1.43 -1.26 -4.59 118.68 115.60 2daw s LEU 125 Ca 0.58 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.39 2daw s LEU 125 Cb -0.10 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2daw s LEU 125 CO 0.39 0.30 -0.07 0.00 0.23 0.00 0.00 176.35 177.20 2daw h VAL 127 N -0.18 0.07 -0.60 0.00 3.04 -1.97 1.38 116.25 117.98 2daw h VAL 127 Ca -0.15 -0.01 -0.08 0.00 -1.01 0.00 0.00 66.70 65.45 2daw h VAL 127 Cb 1.15 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 2daw h VAL 127 CO -0.08 0.01 0.06 0.00 -1.01 0.00 0.00 177.57 176.55 2daw h ALA 129 N 1.00 0.03 -0.97 0.00 0.00 0.15 -3.33 119.26 116.14 2daw h ALA 129 Ca 0.18 -0.57 0.18 0.00 0.00 0.00 0.00 54.91 54.71 2daw h ALA 129 Cb 0.48 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.13 2daw h ALA 129 CO 0.02 0.28 -0.27 0.00 0.00 0.00 0.00 179.25 179.27 2daw n ALA 130 N -2.59 0.15 -0.44 0.00 0.00 0.06 -0.21 120.51 117.48 2daw n ALA 130 Ca -0.11 1.05 0.00 0.00 0.00 0.00 0.00 53.44 54.38 2daw n ALA 130 Cb 0.65 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2daw n ALA 130 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2daw n ILE 131 N -5.55 0.00 -0.24 0.00 5.41 -1.20 -0.85 119.36 116.94 2daw n ILE 131 Ca 0.14 1.28 -0.06 0.00 1.00 0.00 0.00 62.75 65.11 2daw n ILE 131 Cb 0.47 -2.11 -0.01 0.00 -0.71 0.00 0.00 39.64 37.28 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 -0.16 -0.66 0.38 5.75 -1.53 -0.33 115.11 118.55 2daw h GLN 132 Ca 0.00 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.62 2daw h GLN 132 Cb 0.00 0.04 -0.12 0.00 1.07 0.00 0.00 27.48 28.47 2daw h GLN 132 CO 0.00 -0.11 -0.35 2.35 -2.65 0.00 0.00 178.83 178.07 2daw h TRP 133 N -0.17 -0.99 0.33 3.99 7.01 -0.53 0.03 115.95 125.61 2daw h TRP 133 Ca 0.22 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 2daw h TRP 133 Cb 0.56 0.53 -0.02 0.00 -2.10 0.00 0.00 29.16 28.13 2daw h TRP 133 CO -0.72 -0.39 -0.35 -0.07 -2.79 0.00 0.00 178.44 174.12 2daw h LEU 134 N -0.14 -0.96 -0.81 0.65 3.38 0.69 0.24 115.31 118.35 2daw h LEU 134 Ca 0.25 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.41 2daw h LEU 134 Cb 0.56 0.32 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 2daw h LEU 134 CO -0.74 -0.45 -0.43 1.56 0.09 0.00 0.00 178.44 178.47 2daw h GLN 135 N -0.68 -0.09 -0.81 1.13 4.20 -0.68 0.57 115.11 118.76 2daw h GLN 135 Ca -0.04 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.70 2daw h GLN 135 Cb 0.59 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 2daw h GLN 135 CO -0.05 -0.06 0.53 0.22 -0.67 0.00 0.00 178.83 178.80 2daw h ASP 136 N -0.09 0.88 -2.32 1.46 3.58 -0.83 -3.07 116.42 116.04 2daw h ASP 136 Ca 0.25 -0.01 -0.67 0.00 0.42 0.00 0.00 57.03 57.01 2daw h ASP 136 Cb 0.55 -0.21 -0.36 0.00 1.72 0.00 0.00 39.33 41.03 2daw h ASP 136 CO -0.85 0.62 -0.02 0.59 -2.88 0.00 0.00 179.24 176.70 2daw n ASN 137 N -4.44 5.40 0.00 2.28 3.02 0.18 -4.65 115.26 117.05 2daw n ASN 137 Ca 0.10 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.02 2daw n ASN 137 Cb 0.08 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 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 0.09 1.03 -0.14 6.41 2.88 0.13 -4.71 113.62 119.31 2daw n SER 138 Ca 0.35 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.80 2daw n SER 138 Cb 0.35 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.00 0.53 -1.36 -1.46 0.00 -1.81 -2.65 119.26 112.51 2daw h ALA 139 Ca 0.00 -0.16 0.41 0.00 0.00 0.00 0.00 54.91 55.15 2daw h ALA 139 Cb 0.72 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2daw h ALA 139 CO 0.00 0.17 0.93 1.03 0.00 0.00 0.00 179.25 181.38 2daw h SER 140 N 0.51 0.17 0.00 0.00 0.87 -1.87 -0.05 113.55 113.18 2daw h SER 140 Ca 0.13 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2daw h SER 140 Cb 0.25 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2daw h SER 140 CO -0.01 -0.05 -0.01 1.88 -0.53 0.00 0.00 176.83 178.12 2daw h TYR 141 N 0.10 0.00 -0.93 2.24 -1.99 -1.79 -3.36 116.97 111.25 2daw h TYR 141 Ca 0.74 0.00 0.22 0.00 2.00 0.00 0.00 58.73 61.69 2daw h TYR 141 Cb 2.53 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 41.09 2daw h TYR 141 CO -0.00 0.00 -0.08 0.74 -0.00 0.00 0.00 178.16 178.82 2daw h PHE 142 N -0.80 -0.22 0.00 4.88 -1.00 -1.09 -3.40 116.94 115.31 2daw h PHE 142 Ca 0.00 0.07 -0.55 0.00 2.81 0.00 0.00 57.97 60.30 2daw h PHE 142 Cb 0.01 0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 2daw h PHE 142 CO -0.00 -0.39 1.13 1.28 -1.61 0.00 0.00 178.31 178.72 2daw n LEU 143 N -5.50 0.50 -3.84 1.54 4.77 -0.12 -4.88 117.00 109.46 2daw n LEU 143 Ca 0.18 0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 56.48 2daw n LEU 143 Cb 0.60 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 2daw n LEU 143 CO -0.06 -0.60 -0.27 0.20 -1.33 0.00 0.00 177.39 175.34 2daw s ASN 144 N 5.34 -0.09 0.18 -1.43 -0.87 -1.26 -5.03 114.94 111.78 2daw s ASN 144 Ca 0.98 0.16 -0.32 0.00 -1.57 0.00 0.00 52.86 52.11 2daw s ASN 144 Cb -1.14 0.18 -0.12 0.00 -0.02 0.00 0.00 41.25 40.15 2daw s ASN 144 CO 0.49 -0.04 1.71 -1.14 -2.57 0.00 0.00 177.10 175.55 2daw n ARG 145 N 3.01 2.61 -3.64 -0.60 0.63 -1.26 -4.98 116.66 112.43 2daw n ARG 145 Ca -0.12 0.94 -0.14 0.00 -0.92 0.00 0.00 57.85 57.61 2daw n ARG 145 Cb 0.59 -2.78 -0.07 0.00 0.45 0.00 0.00 32.46 30.65 2daw n ARG 145 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2daw s LYS 146 N 1.37 0.81 0.04 -0.14 2.47 -1.26 -5.18 119.74 117.85 2daw s LYS 146 Ca 0.77 0.90 -0.04 0.00 -1.56 0.00 0.00 55.97 56.04 2daw s LYS 146 Cb -0.55 0.39 -0.02 0.00 -1.46 0.00 0.00 37.83 36.20 2daw s LYS 146 CO 0.35 -0.11 0.06 -0.48 0.16 0.00 0.00 175.35 175.33 2daw s LEU 147 N 0.26 1.95 -0.12 5.43 2.34 -1.26 -5.16 118.68 122.11 2daw s LEU 147 Ca -0.01 -0.59 -0.08 0.00 0.06 0.00 0.00 54.13 53.52 2daw s LEU 147 Cb -0.04 0.49 0.04 0.00 -0.56 0.00 0.00 46.19 46.11 2daw s LEU 147 CO 0.02 -0.49 0.29 -0.69 -1.06 0.00 0.00 176.35 174.41 2daw s VAL 148 N -2.62 -0.02 0.06 1.48 1.01 -1.26 -5.06 120.40 113.99 2daw s VAL 148 Ca -0.05 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 2daw s VAL 148 Cb -0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 36.38 35.78 2daw s VAL 148 CO -0.05 0.03 1.61 0.77 0.00 0.00 0.00 175.10 177.46 2daw h SER 149 N 6.59 -0.11 0.00 3.32 4.64 -2.02 -3.48 113.55 122.50 2daw h SER 149 Ca -0.34 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2daw h SER 149 Cb 1.17 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2daw h SER 149 CO 0.34 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 2daw n GLY 150 N -0.85 3.21 0.20 -0.77 0.00 -1.26 -5.03 105.19 100.69 2daw n GLY 150 Ca -0.08 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2daw n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daw h PRO 151 N 0.00 0.64 -0.26 1.61 0.13 -1.97 -3.33 132.00 128.81 2daw h PRO 151 Ca 0.00 -0.33 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2daw h PRO 151 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2daw h PRO 151 CO 0.00 0.94 -0.15 0.45 -0.23 0.00 0.00 178.00 179.00 2daw n SER 152 N -4.32 -0.28 -4.68 1.44 2.88 -1.26 -4.08 113.62 103.32 2daw n SER 152 Ca -0.04 0.98 -0.42 0.00 -1.33 0.00 0.00 58.87 58.06 2daw n SER 152 Cb 0.45 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2daw n SER 152 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2daw s SER 153 N -3.80 6.78 0.00 -3.46 0.15 -1.25 -5.29 113.70 106.82 2daw s SER 153 Ca -0.03 2.14 0.00 0.00 0.70 0.00 0.00 55.95 58.76 2daw s SER 153 Cb 0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2daw s SER 153 CO 0.16 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.41