#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 7.44 -3.63 1.61 3.41 -1.26 -4.95 113.62 116.24 2daw n SER 2 Ca 0.00 -3.80 -0.13 0.00 -0.26 0.00 0.00 58.87 54.68 2daw n SER 2 Cb 0.00 -0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 62.95 2daw n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2daw s SER 3 N -1.84 0.62 -0.46 4.04 1.04 -1.26 -5.13 113.70 110.71 2daw s SER 3 Ca 0.61 -1.37 0.06 0.00 0.48 0.00 0.00 55.95 55.73 2daw s SER 3 Cb 0.49 0.57 0.18 0.00 0.10 0.00 0.00 66.02 67.36 2daw s SER 3 CO -0.09 -1.14 0.57 -0.83 0.98 0.00 0.00 173.24 172.74 2daw s GLY 4 N -3.19 -0.47 -1.56 7.32 0.00 -1.26 -4.95 107.32 103.21 2daw s GLY 4 Ca 0.32 -0.93 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 2daw s GLY 4 CO 0.17 3.15 0.44 -1.14 0.00 0.00 0.00 173.10 175.71 2daw n SER 5 N 3.27 -1.22 -3.91 1.64 3.41 -1.26 -4.88 113.62 110.67 2daw n SER 5 Ca 0.19 -1.06 -0.23 0.00 -0.26 0.00 0.00 58.87 57.51 2daw n SER 5 Cb 0.53 -1.35 -0.17 0.00 -0.26 0.00 0.00 64.21 62.96 2daw n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2daw s SER 6 N -3.07 1.53 0.00 4.04 0.15 -1.26 -5.12 113.70 109.96 2daw s SER 6 Ca 0.61 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2daw s SER 6 Cb -0.36 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2daw s SER 6 CO 0.87 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.85 2daw n GLY 7 N 4.36 -1.03 3.11 9.45 0.00 -1.26 -5.06 105.19 114.76 2daw n GLY 7 Ca -0.19 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 2daw n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2daw n MET 8 N -0.25 -3.13 0.06 1.61 2.00 -1.26 -4.95 117.12 111.20 2daw n MET 8 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 57.70 56.75 2daw n MET 8 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 33.22 31.55 2daw n MET 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2daw h SER 9 N -2.99 -0.12 -4.23 7.83 0.87 -2.02 -3.46 113.55 109.43 2daw h SER 9 Ca -0.33 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.78 2daw h SER 9 Cb 1.00 0.03 0.13 0.00 -0.44 0.00 0.00 62.40 63.13 2daw h SER 9 CO 0.21 -0.07 0.40 0.00 -0.53 0.00 0.00 176.83 176.84 2daw s ALA 10 N -3.30 2.48 -0.16 6.23 0.00 -1.26 -5.02 121.76 120.73 2daw s ALA 10 Ca -0.02 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 2daw s ALA 10 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 2daw s ALA 10 CO 0.06 -2.05 0.88 0.45 0.00 0.00 0.00 175.76 175.10 2daw s SER 11 N -4.74 7.01 0.57 0.00 0.15 -1.26 -4.90 113.70 110.52 2daw s SER 11 Ca 0.68 1.25 0.42 0.00 0.70 0.00 0.00 55.95 59.00 2daw s SER 11 Cb -0.07 -2.48 1.55 0.00 -1.71 0.00 0.00 66.02 63.31 2daw s SER 11 CO 0.51 -0.43 1.59 0.58 1.20 0.00 0.00 173.24 176.69 2daw h VAL 12 N 5.20 0.11 -0.67 4.45 2.07 -1.95 0.21 116.25 125.67 2daw h VAL 12 Ca -0.29 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.38 2daw h VAL 12 Cb 1.13 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 2daw h VAL 12 CO 0.85 0.00 0.01 0.11 0.02 0.00 0.00 177.57 178.57 2daw h LYS 13 N 0.00 0.12 0.20 1.57 1.57 -1.93 -1.02 116.57 117.08 2daw h LYS 13 Ca 0.75 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.51 2daw h LYS 13 Cb 3.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 35.47 2daw h LYS 13 CO -0.01 0.08 -0.10 0.93 -0.57 0.00 0.00 179.45 179.79 2daw h GLU 14 N 0.12 -0.26 -0.79 3.15 3.07 -0.97 0.67 114.58 119.57 2daw h GLU 14 Ca 0.36 0.02 0.21 0.00 -0.50 0.00 0.00 59.36 59.45 2daw h GLU 14 Cb 0.60 0.06 -0.15 0.00 -0.84 0.00 0.00 28.75 28.42 2daw h GLU 14 CO -0.57 -0.17 -0.00 -1.13 -1.40 0.00 0.00 179.01 175.73 2daw n SER 15 N -2.86 -0.11 0.07 1.42 3.41 -1.10 0.17 113.62 114.63 2daw n SER 15 Ca -0.03 1.35 -0.19 0.00 -0.26 0.00 0.00 58.87 59.74 2daw n SER 15 Cb 0.11 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 2daw n SER 15 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2daw h LEU 16 N 0.00 0.78 0.84 1.04 3.38 -1.17 -3.04 115.31 117.13 2daw h LEU 16 Ca 0.47 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2daw h LEU 16 Cb 0.96 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2daw h LEU 16 CO -0.75 1.48 -0.40 -0.61 0.09 0.00 0.00 178.44 178.24 2daw h GLN 17 N 0.30 -1.08 -0.78 1.13 5.75 0.79 -2.76 115.11 118.45 2daw h GLN 17 Ca -0.14 0.07 0.19 0.00 -0.15 0.00 0.00 58.65 58.63 2daw h GLN 17 Cb 1.76 0.25 -0.05 0.00 1.07 0.00 0.00 27.48 30.51 2daw h GLN 17 CO 0.21 -0.71 0.54 -0.07 -2.65 0.00 0.00 178.83 176.14 2daw h LEU 18 N -1.21 0.21 -2.55 -2.39 4.07 -0.11 0.41 115.31 113.74 2daw h LEU 18 Ca -0.12 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 2daw h LEU 18 Cb 0.87 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.59 2daw h LEU 18 CO 0.19 0.09 -0.02 1.56 -1.08 0.00 0.00 178.44 179.18 2daw h GLN 19 N 0.22 0.00 0.05 1.13 4.20 -1.37 -2.40 115.11 116.94 2daw h GLN 19 Ca 0.39 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.94 2daw h GLN 19 Cb 1.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 2daw h GLN 19 CO -0.08 0.02 -0.78 -0.07 -0.67 0.00 0.00 178.83 177.24 2daw h LEU 20 N 0.00 0.18 -1.80 1.46 3.38 -0.12 -3.06 115.31 115.36 2daw h LEU 20 Ca -0.00 -0.85 0.12 0.00 0.09 0.00 0.00 57.88 57.24 2daw h LEU 20 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2daw h LEU 20 CO 0.00 1.34 0.37 0.17 0.09 0.00 0.00 178.44 180.41 2daw h LEU 21 N -0.71 0.20 -0.10 1.67 8.10 -1.33 -0.11 115.31 123.03 2daw h LEU 21 Ca -0.18 0.01 -0.22 0.00 0.11 0.00 0.00 57.88 57.59 2daw h LEU 21 Cb 1.38 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 41.55 2daw h LEU 21 CO -0.00 0.12 -1.01 1.05 -4.11 0.00 0.00 178.44 174.48 2daw h GLU 22 N 0.22 0.18 0.40 0.17 4.11 -1.56 -3.27 114.58 114.83 2daw h GLU 22 Ca 0.26 -0.24 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2daw h GLU 22 Cb 0.72 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2daw h GLU 22 CO -0.05 1.04 -0.46 0.52 0.07 0.00 0.00 179.01 180.14 2daw h MET 23 N 0.08 -0.85 -0.90 1.06 2.86 -0.90 0.11 114.93 116.38 2daw h MET 23 Ca -0.06 0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 2daw h MET 23 Cb 1.70 0.19 -0.07 0.00 0.06 0.00 0.00 31.60 33.48 2daw h MET 23 CO 0.15 -0.57 0.59 1.05 1.06 0.00 0.00 176.91 179.19 2daw h GLU 24 N -0.88 0.50 -0.35 1.72 4.11 -1.64 0.79 114.58 118.83 2daw h GLU 24 Ca -0.04 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 2daw h GLU 24 Cb 0.79 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2daw h GLU 24 CO -0.10 0.33 -0.39 0.52 0.07 0.00 0.00 179.01 179.45 2daw h MET 25 N 0.51 0.83 -0.33 1.06 2.86 -1.39 -2.94 114.93 115.53 2daw h MET 25 Ca 0.47 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2daw h MET 25 Cb 1.01 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2daw h MET 25 CO -0.20 1.07 0.07 -0.07 1.06 0.00 0.00 176.91 178.83 2daw h LEU 26 N 0.68 0.51 -0.17 1.22 3.38 0.15 -3.01 115.31 118.07 2daw h LEU 26 Ca 0.06 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2daw h LEU 26 Cb 0.95 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2daw h LEU 26 CO 0.09 0.62 -0.13 -0.26 0.09 0.00 0.00 178.44 178.85 2daw h PHE 27 N 0.37 -0.32 -0.46 1.13 0.04 -1.23 -1.90 116.94 114.57 2daw h PHE 27 Ca 0.10 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.99 2daw h PHE 27 Cb 0.32 0.17 -0.10 0.00 2.20 0.00 0.00 35.95 38.54 2daw h PHE 27 CO 0.02 -0.19 -0.23 1.03 -0.60 0.00 0.00 178.31 178.33 2daw h SER 28 N -0.14 -0.80 -0.92 2.17 0.87 -1.46 0.81 113.55 114.07 2daw h SER 28 Ca 0.10 0.18 0.09 0.00 -1.23 0.00 0.00 61.79 60.93 2daw h SER 28 Cb 0.29 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 62.61 2daw h SER 28 CO -0.25 -0.26 0.60 0.24 -0.53 0.00 0.00 176.83 176.63 2daw h MET 29 N -0.14 0.94 -3.35 2.24 2.86 -1.32 -3.23 114.93 112.94 2daw h MET 29 Ca 0.21 -0.06 -0.71 0.00 -2.06 0.00 0.00 59.70 57.09 2daw h MET 29 Cb 0.48 -0.21 -0.35 0.00 0.06 0.00 0.00 31.60 31.57 2daw h MET 29 CO -0.54 0.62 -0.07 -0.06 1.06 0.00 0.00 176.91 177.92 2daw s PHE 30 N -5.88 3.90 0.15 -0.22 0.08 0.27 -4.89 117.98 111.39 2daw s PHE 30 Ca -0.11 -2.99 -0.10 0.00 0.12 0.00 0.00 56.93 53.85 2daw s PHE 30 Cb 0.21 -3.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 2daw s PHE 30 CO 0.80 -0.76 1.48 -1.00 -0.10 0.00 0.00 175.22 175.64 2daw h PRO 31 N 6.11 0.92 -6.52 0.24 0.13 -1.55 -3.44 132.00 127.88 2daw h PRO 31 Ca 0.15 -0.49 -0.53 0.00 -0.87 0.00 0.00 66.00 64.26 2daw h PRO 31 Cb 0.82 0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.00 2daw h PRO 31 CO 0.86 1.14 0.84 -0.80 -0.23 0.00 0.00 178.00 179.80 2daw s ASN 32 N -6.85 6.72 1.07 1.44 0.01 -1.26 -4.98 114.94 111.09 2daw s ASN 32 Ca -0.11 2.41 -0.13 0.00 -0.71 0.00 0.00 52.86 54.32 2daw s ASN 32 Cb 0.11 -2.58 0.19 0.00 0.41 0.00 0.00 41.25 39.38 2daw s ASN 32 CO 0.88 -0.76 0.78 0.00 -1.51 0.00 0.00 177.10 176.50 2daw n GLN 33 N 4.47 -1.50 0.00 -0.60 3.00 -1.26 -3.30 117.38 118.19 2daw n GLN 33 Ca 0.13 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 2daw n GLN 33 Cb 0.41 -2.10 0.00 0.00 0.00 0.00 0.00 30.24 28.55 2daw n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2daw n GLY 34 N 1.07 1.88 0.34 1.08 0.00 -1.26 -4.80 105.19 103.50 2daw n GLY 34 Ca 0.05 -0.25 -0.09 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 -0.04 -4.20 1.61 3.07 -1.88 -3.27 114.58 109.87 2daw h GLU 35 Ca 0.00 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.11 2daw h GLU 35 Cb 0.00 0.01 -0.23 0.00 -0.84 0.00 0.00 28.75 27.69 2daw h GLU 35 CO 0.00 -0.03 -0.19 0.08 -1.40 0.00 0.00 179.01 177.48 2daw s VAL 36 N -5.01 5.16 -0.43 3.13 1.01 -1.25 -2.76 120.40 120.25 2daw s VAL 36 Ca -0.10 -1.37 -0.18 0.00 0.00 0.00 0.00 61.98 60.33 2daw s VAL 36 Cb 0.08 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2daw s VAL 36 CO 0.49 -0.87 0.46 -0.54 0.00 0.00 0.00 175.10 174.65 2daw s LYS 37 N 1.76 3.10 -0.39 2.72 1.02 -0.94 -4.93 119.74 122.09 2daw s LYS 37 Ca 0.04 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 2daw s LYS 37 Cb -0.28 -3.98 0.01 0.00 -0.52 0.00 0.00 37.83 33.05 2daw s LYS 37 CO 0.04 -0.90 0.39 -0.51 -0.92 0.00 0.00 175.35 173.45 2daw s LEU 38 N 2.20 4.74 0.55 3.17 1.43 -1.26 -2.34 118.68 127.17 2daw s LEU 38 Ca 0.13 -0.54 0.30 0.00 -1.03 0.00 0.00 54.13 52.99 2daw s LEU 38 Cb -0.17 -2.34 1.47 0.00 0.03 0.00 0.00 46.19 45.17 2daw s LEU 38 CO 0.14 -0.48 1.89 -0.33 0.23 0.00 0.00 176.35 177.80 2daw h GLU 39 N 8.62 0.00 -3.66 1.70 4.39 -1.97 -3.37 114.58 120.30 2daw h GLU 39 Ca -0.28 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.00 2daw h GLU 39 Cb 1.12 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 29.39 2daw h GLU 39 CO 0.75 0.00 -0.76 0.16 -1.16 0.00 0.00 179.01 178.00 2daw s ASP 40 N -5.56 1.43 0.27 1.42 1.47 -1.26 -5.00 116.67 109.43 2daw s ASP 40 Ca -0.05 -0.06 0.25 0.00 1.18 0.00 0.00 52.55 53.87 2daw s ASP 40 Cb 0.20 -0.38 0.59 0.00 -0.34 0.00 0.00 42.92 42.98 2daw s ASP 40 CO 0.72 -0.19 1.65 -0.37 0.68 0.00 0.00 175.17 177.65 2daw h VAL 41 N 6.33 0.00 -0.58 2.11 -1.51 -2.01 -3.14 116.25 117.45 2daw h VAL 41 Ca -0.20 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 2daw h VAL 41 Cb 1.13 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2daw h VAL 41 CO 0.26 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.19 2daw n ASN 42 N -2.51 3.62 -0.04 4.19 3.02 -1.26 -4.41 115.26 117.87 2daw n ASN 42 Ca 0.05 -1.99 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 2daw n ASN 42 Cb 0.47 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 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 4.37 0.19 -0.15 5.41 0.00 -1.89 -2.13 119.26 125.07 2daw h ALA 43 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2daw h ALA 43 Cb 0.95 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2daw h ALA 43 CO 0.00 -0.19 -0.05 -0.07 0.00 0.00 0.00 179.25 178.94 2daw h LEU 44 N 0.05 0.30 -0.38 0.00 3.38 -1.82 -2.92 115.31 113.91 2daw h LEU 44 Ca 0.05 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2daw h LEU 44 Cb 0.23 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2daw h LEU 44 CO -0.00 0.61 -0.18 0.74 0.09 0.00 0.00 178.44 179.70 2daw h THR 45 N -0.02 0.45 0.02 0.22 2.02 -1.79 -2.20 112.91 111.61 2daw h THR 45 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2daw h THR 45 Cb 0.49 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2daw h THR 45 CO 0.02 0.00 -0.27 0.78 0.37 0.00 0.00 175.52 176.42 2daw h ASN 46 N -0.11 -0.80 -0.98 4.18 2.35 -1.39 -2.33 115.58 116.49 2daw h ASN 46 Ca 0.19 0.11 0.20 0.00 -0.55 0.00 0.00 56.30 56.24 2daw h ASN 46 Cb 0.40 0.32 -0.19 0.00 0.05 0.00 0.00 38.32 38.91 2daw h ASN 46 CO -0.46 -0.34 -0.25 0.40 -1.65 0.00 0.00 177.43 175.13 2daw h ILE 47 N -0.43 0.02 -0.81 2.81 2.04 -1.20 1.34 117.51 121.28 2daw h ILE 47 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.03 2daw h ILE 47 Cb 0.50 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 2daw h ILE 47 CO -0.22 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.57 2daw h LYS 48 N -0.00 0.67 0.00 2.37 1.57 -1.16 0.37 116.57 120.40 2daw h LYS 48 Ca 0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2daw h LYS 48 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2daw h LYS 48 CO -1.01 0.44 0.00 0.54 -0.57 0.00 0.00 179.45 178.85 2daw n ARG 49 N -4.52 0.09 -0.02 3.15 1.74 0.46 -2.68 116.66 114.88 2daw n ARG 49 Ca 0.14 0.33 -0.17 0.00 -0.77 0.00 0.00 57.85 57.38 2daw n ARG 49 Cb 0.38 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 30.01 2daw n ARG 49 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2daw n TYR 50 N -1.85 0.98 -0.22 -1.55 9.36 0.13 -0.23 117.16 123.78 2daw n TYR 50 Ca 0.03 0.24 -0.07 0.00 3.32 0.00 0.00 57.90 61.42 2daw n TYR 50 Cb 0.20 -1.14 0.07 0.00 -0.63 0.00 0.00 39.34 37.84 2daw n TYR 50 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2daw h LEU 51 N 0.04 1.02 -0.76 2.98 3.38 -1.19 -2.64 115.31 118.14 2daw h LEU 51 Ca -0.42 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.20 2daw h LEU 51 Cb 2.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2daw h LEU 51 CO 0.06 1.01 -0.56 1.05 0.09 0.00 0.00 178.44 180.09 2daw h GLU 52 N 1.00 0.00 0.00 1.13 4.11 -1.69 -3.47 114.58 115.65 2daw h GLU 52 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2daw h GLU 52 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2daw h GLU 52 CO 0.01 0.56 0.00 0.41 0.07 0.00 0.00 179.01 180.06 2daw n GLY 53 N 0.32 2.66 0.42 1.06 0.00 -1.00 -4.92 105.19 103.74 2daw n GLY 53 Ca -0.01 -0.70 0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 -5.06 2.61 5.66 -1.21 -3.92 114.28 112.25 2daw n THR 54 Ca 0.00 1.24 -0.32 0.00 -3.05 0.00 0.00 64.05 61.92 2daw n THR 54 Cb 0.00 -2.05 -0.15 0.00 -1.55 0.00 0.00 70.33 66.58 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 -4.64 2.83 -0.20 1.09 3.52 0.68 -5.03 118.95 117.21 2daw s ARG 55 Ca -0.05 -0.80 -0.13 0.00 -0.13 0.00 0.00 55.73 54.62 2daw s ARG 55 Cb 0.22 -2.34 -0.08 0.00 -1.56 0.00 0.00 34.95 31.18 2daw s ARG 55 CO 0.63 0.36 -0.30 0.39 -0.81 0.00 0.00 175.30 175.56 2daw n GLU 56 N 3.06 0.48 -1.51 5.12 -0.58 -1.25 -4.29 120.64 121.66 2daw n GLU 56 Ca -0.18 0.20 -0.62 0.00 -0.42 0.00 0.00 57.16 56.14 2daw n GLU 56 Cb 0.52 -1.32 -0.10 0.00 -0.57 0.00 0.00 31.44 29.97 2daw n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2daw n ALA 57 N -4.16 -0.80 -1.73 0.62 0.00 -1.26 -4.67 120.51 108.51 2daw n ALA 57 Ca -0.33 0.38 -0.62 0.00 0.00 0.00 0.00 53.44 52.87 2daw n ALA 57 Cb 0.67 -1.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 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 4.93 1.89 -4.77 0.00 -0.00 -1.26 -4.90 117.00 112.90 2daw n LEU 58 Ca 0.37 1.12 -0.33 0.00 -0.00 0.00 0.00 56.01 57.18 2daw n LEU 58 Cb -0.05 -1.03 0.06 0.00 -0.00 0.00 0.00 43.42 42.39 2daw n LEU 58 CO 0.85 -0.60 0.73 -2.16 -0.00 0.00 0.00 177.39 176.21 2daw s PRO 59 N 3.31 2.68 0.09 1.96 0.04 -1.26 -4.98 135.00 136.84 2daw s PRO 59 Ca 1.01 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 63.08 2daw s PRO 59 Cb -1.25 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 2daw s PRO 59 CO 0.72 -1.33 1.38 -1.25 0.04 0.00 0.00 177.00 176.56 2daw s PRO 60 N -4.28 4.32 0.98 0.56 0.04 -1.26 -5.00 135.00 130.37 2daw s PRO 60 Ca 0.66 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 2daw s PRO 60 Cb -0.20 -3.32 0.15 0.00 0.04 0.00 0.00 34.50 31.17 2daw s PRO 60 CO 0.45 -0.45 0.91 0.36 0.04 0.00 0.00 177.00 178.30 2daw n LYS 61 N 4.24 -0.86 -2.98 4.56 2.85 -1.26 -4.83 118.16 119.88 2daw n LYS 61 Ca 0.12 -0.20 -0.43 0.00 -1.05 0.00 0.00 58.31 56.75 2daw n LYS 61 Cb 0.43 -2.19 -0.05 0.00 -0.65 0.00 0.00 35.03 32.56 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 -2.52 4.61 -0.10 0.58 1.01 -1.23 -5.00 121.20 118.55 2daw s ILE 62 Ca 0.65 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.24 2daw s ILE 62 Cb -0.22 -4.43 0.01 0.00 0.01 0.00 0.00 42.46 37.83 2daw s ILE 62 CO 0.62 -0.98 -0.16 -0.70 0.00 0.00 0.00 174.94 173.73 2daw s GLU 63 N 3.35 2.19 0.36 2.79 2.12 -1.26 -2.65 118.70 125.59 2daw s GLU 63 Ca 0.23 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.91 2daw s GLU 63 Cb -0.16 -1.81 0.03 0.00 0.26 0.00 0.00 34.13 32.45 2daw s GLU 63 CO 0.16 -0.01 0.62 -0.59 -0.54 0.00 0.00 175.26 174.90 2daw s PHE 64 N 0.82 0.61 -0.12 5.30 -0.71 -1.08 -3.63 117.98 119.16 2daw s PHE 64 Ca -0.10 -1.04 0.03 0.00 -1.04 0.00 0.00 56.93 54.77 2daw s PHE 64 Cb -0.16 0.34 0.01 0.00 -1.21 0.00 0.00 43.02 42.00 2daw s PHE 64 CO 0.01 -1.32 -0.21 0.08 -1.34 0.00 0.00 175.22 172.44 2daw s VAL 65 N -2.78 1.93 -0.19 -2.49 1.01 -0.99 -1.50 120.40 115.38 2daw s VAL 65 Ca 0.23 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2daw s VAL 65 Cb -0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2daw s VAL 65 CO 0.16 0.53 -0.01 -0.63 0.00 0.00 0.00 175.10 175.14 2daw s ILE 66 N 0.74 3.86 -0.15 2.22 1.01 0.58 -2.21 121.20 127.25 2daw s ILE 66 Ca -0.10 -0.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 2daw s ILE 66 Cb -0.16 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 2daw s ILE 66 CO 0.01 0.44 0.81 -0.89 0.00 0.00 0.00 174.94 175.31 2daw s THR 67 N 0.95 4.91 -0.72 2.92 2.01 -1.11 -1.26 115.64 123.34 2daw s THR 67 Ca 0.01 1.60 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 2daw s THR 67 Cb -0.14 -4.12 0.14 0.00 0.01 0.00 0.00 72.50 68.38 2daw s THR 67 CO 0.02 0.06 0.79 -0.76 -0.69 0.00 0.00 174.62 174.04 2daw s LEU 68 N 1.93 5.75 -1.16 4.42 2.01 -0.88 -4.96 118.68 125.79 2daw s LEU 68 Ca 0.38 -1.91 -0.21 0.00 0.01 0.00 0.00 54.13 52.40 2daw s LEU 68 Cb -0.17 -2.29 -0.05 0.00 0.01 0.00 0.00 46.19 43.69 2daw s LEU 68 CO 0.14 -0.94 1.90 1.67 1.01 0.00 0.00 176.35 180.13 2daw n GLN 69 N 5.66 2.06 -1.67 1.70 -0.06 -1.26 -3.66 117.38 120.15 2daw n GLN 69 Ca 0.03 -2.57 -0.48 0.00 -2.00 0.00 0.00 57.00 51.98 2daw n GLN 69 Cb 0.45 -3.51 -0.05 0.00 -4.06 0.00 0.00 30.24 23.07 2daw n GLN 69 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2daw n ILE 70 N 6.97 0.33 0.18 1.69 2.08 -1.18 -4.89 119.36 124.54 2daw n ILE 70 Ca 0.47 -0.06 -0.14 0.00 0.56 0.00 0.00 62.75 63.58 2daw n ILE 70 Cb 0.45 -1.69 -0.08 0.00 -0.75 0.00 0.00 39.64 37.57 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 7.73 -0.40 -2.62 0.38 5.08 -1.91 -3.27 114.58 119.57 2daw h GLU 71 Ca -0.47 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 2daw h GLU 71 Cb 1.27 0.09 -0.28 0.00 0.50 0.00 0.00 28.75 30.33 2daw h GLU 71 CO 0.92 -0.27 -0.38 -2.00 -1.00 0.00 0.00 179.01 176.28 2daw s GLU 72 N -6.12 0.31 0.65 2.33 2.12 -1.26 -3.31 118.70 113.42 2daw s GLU 72 Ca -0.15 0.91 -0.15 0.00 0.36 0.00 0.00 54.97 55.93 2daw s GLU 72 Cb 0.05 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 2daw s GLU 72 CO 0.64 -0.23 1.11 -1.25 -0.54 0.00 0.00 175.26 175.00 2daw s PRO 73 N 2.22 2.85 -0.95 4.30 0.04 -1.26 -4.47 135.00 137.73 2daw s PRO 73 Ca -0.04 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 2daw s PRO 73 Cb -0.11 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2daw s PRO 73 CO -0.12 -1.21 1.63 0.21 0.04 0.00 0.00 177.00 177.55 2daw s LYS 74 N -4.03 3.16 0.33 4.56 2.47 -1.21 -4.62 119.74 120.42 2daw s LYS 74 Ca 0.67 -0.71 0.04 0.00 -1.56 0.00 0.00 55.97 54.42 2daw s LYS 74 Cb -0.21 -5.15 -0.03 0.00 -1.46 0.00 0.00 37.83 30.98 2daw s LYS 74 CO 0.40 -2.64 0.18 0.14 0.16 0.00 0.00 175.35 173.59 2daw s VAL 75 N 7.00 0.32 -0.05 4.02 -7.23 -1.23 -5.03 120.40 118.19 2daw s VAL 75 Ca 0.55 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2daw s VAL 75 Cb -0.03 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2daw s VAL 75 CO -0.04 0.00 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.76 2daw s LYS 76 N -3.71 2.44 -0.20 4.82 2.20 -1.26 -3.13 119.74 120.89 2daw s LYS 76 Ca 0.34 -0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 55.03 2daw s LYS 76 Cb 0.04 -2.16 0.06 0.00 -1.51 0.00 0.00 37.83 34.26 2daw s LYS 76 CO 0.19 0.46 0.06 0.42 -0.36 0.00 0.00 175.35 176.11 2daw s ILE 77 N -0.34 0.39 -0.44 5.43 1.01 -1.24 -4.72 121.20 121.29 2daw s ILE 77 Ca 0.02 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 2daw s ILE 77 Cb -0.12 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2daw s ILE 77 CO 0.02 -0.28 1.50 -1.81 0.00 0.00 0.00 174.94 174.37 2daw s ASP 78 N 1.91 6.16 -0.34 3.58 1.11 -1.20 -2.07 116.67 125.82 2daw s ASP 78 Ca 0.01 0.78 -0.15 0.00 0.18 0.00 0.00 52.55 53.37 2daw s ASP 78 Cb -0.17 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 2daw s ASP 78 CO -0.11 -1.58 0.36 -0.22 1.18 0.00 0.00 175.17 174.80 2daw s LEU 79 N 6.00 4.44 -0.62 1.23 2.96 -0.39 -2.78 118.68 129.52 2daw s LEU 79 Ca 0.63 -0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 54.10 2daw s LEU 79 Cb -0.15 -2.34 0.08 0.00 0.50 0.00 0.00 46.19 44.29 2daw s LEU 79 CO 0.31 -0.34 0.86 -1.10 -1.32 0.00 0.00 176.35 174.76 2daw s GLN 80 N 2.01 3.11 0.02 1.98 -0.21 0.58 -0.31 119.66 126.84 2daw s GLN 80 Ca 0.12 -0.94 -0.13 0.00 0.02 0.00 0.00 55.36 54.42 2daw s GLN 80 Cb -0.17 -4.22 -0.06 0.00 1.00 0.00 0.00 33.01 29.57 2daw s GLN 80 CO 0.12 -1.67 0.41 0.54 -2.12 0.00 0.00 175.29 172.56 2daw s VAL 81 N 3.55 5.04 -0.10 1.09 0.11 -0.56 -2.10 120.40 127.42 2daw s VAL 81 Ca 0.19 0.74 -0.03 0.00 -2.93 0.00 0.00 61.98 59.94 2daw s VAL 81 Cb -0.19 -3.69 0.05 0.00 -1.53 0.00 0.00 36.38 31.02 2daw s VAL 81 CO 0.10 0.49 0.10 -0.89 -3.33 0.00 0.00 175.10 171.57 2daw s THR 82 N -1.17 -0.14 -0.45 5.04 2.01 -0.65 -2.64 115.64 117.64 2daw s THR 82 Ca 0.26 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 2daw s THR 82 Cb -0.16 -0.36 0.12 0.00 0.01 0.00 0.00 72.50 72.11 2daw s THR 82 CO 0.15 -0.01 0.25 -0.04 -0.69 0.00 0.00 174.62 174.28 2daw s MET 83 N 2.19 2.13 1.19 4.92 -1.94 -1.08 -2.73 119.30 123.98 2daw s MET 83 Ca 0.04 -1.91 -0.19 0.00 -1.71 0.00 0.00 55.69 51.92 2daw s MET 83 Cb -0.14 -3.65 0.28 0.00 2.01 0.00 0.00 34.83 33.34 2daw s MET 83 CO -0.06 -1.10 1.11 -1.25 -0.01 0.00 0.00 175.02 173.70 2daw s PRO 84 N 1.01 -1.15 0.00 2.03 0.04 -1.26 -3.46 135.00 132.21 2daw s PRO 84 Ca 0.09 -0.03 0.06 0.00 0.04 0.00 0.00 61.00 61.15 2daw s PRO 84 Cb -0.23 -1.60 0.26 0.00 0.04 0.00 0.00 34.50 32.97 2daw s PRO 84 CO -0.04 -3.67 1.09 0.72 0.04 0.00 0.00 177.00 175.14 2daw n HIS 85 N -4.74 0.00 -0.04 0.56 8.25 -1.26 -3.11 115.22 114.88 2daw n HIS 85 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 2daw n HIS 85 Cb 0.59 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.38 1.03 -3.13 0.41 7.64 -1.26 -4.53 113.62 112.41 2daw n SER 86 Ca 0.02 0.42 -0.29 0.00 1.01 0.00 0.00 58.87 60.03 2daw n SER 86 Cb 0.05 -0.70 0.01 0.00 -1.01 0.00 0.00 64.21 62.56 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 -3.59 -2.11 0.22 1.43 4.19 -1.18 -2.78 117.16 113.34 2daw n TYR 87 Ca -0.05 0.34 0.08 0.00 3.31 0.00 0.00 57.90 61.59 2daw n TYR 87 Cb 0.17 -1.24 0.47 0.00 0.49 0.00 0.00 39.34 39.23 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 0.01 0.00 -0.69 2.98 0.13 -1.81 -3.41 132.00 129.21 2daw h PRO 88 Ca -0.30 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.05 2daw h PRO 88 Cb 1.07 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.07 2daw h PRO 88 CO 0.31 0.27 0.14 0.66 -0.23 0.00 0.00 178.00 179.15 2daw n TYR 89 N -3.57 0.57 -3.97 1.56 4.02 -1.12 -4.16 117.16 110.48 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 0.41 -1.10 -0.05 0.00 -0.02 0.00 0.00 39.34 38.58 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 -9.62 4.17 -0.32 7.72 0.20 -1.25 -4.61 118.68 114.98 2daw s LEU 90 Ca -0.08 0.20 -0.28 0.00 0.69 0.00 0.00 54.13 54.66 2daw s LEU 90 Cb 0.21 -2.71 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2daw s LEU 90 CO 0.54 0.20 1.96 0.00 -0.29 0.00 0.00 176.35 178.75 2daw s ALA 91 N -1.42 2.73 1.37 5.97 0.00 -1.26 -3.88 121.76 125.29 2daw s ALA 91 Ca 0.31 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 2daw s ALA 91 Cb -0.13 -4.06 0.35 0.00 0.00 0.00 0.00 23.12 19.28 2daw s ALA 91 CO 0.24 -2.83 0.95 -0.48 0.00 0.00 0.00 175.76 173.64 2daw s LEU 92 N 7.67 -0.73 -0.11 0.00 0.05 -1.26 -4.99 118.68 119.31 2daw s LEU 92 Ca 0.86 0.96 0.02 0.00 0.05 0.00 0.00 54.13 56.02 2daw s LEU 92 Cb -0.25 -2.47 -0.01 0.00 -2.05 0.00 0.00 46.19 41.41 2daw s LEU 92 CO 0.33 -5.14 -0.19 -1.58 -0.55 0.00 0.00 176.35 169.22 2daw s GLN 93 N -4.98 3.18 -0.03 1.48 2.00 -1.11 -5.01 119.66 115.19 2daw s GLN 93 Ca 0.69 -0.78 0.02 0.00 -2.00 0.00 0.00 55.36 53.28 2daw s GLN 93 Cb -0.15 -2.46 0.01 0.00 0.80 0.00 0.00 33.01 31.21 2daw s GLN 93 CO 0.59 0.21 -0.07 -0.51 -0.50 0.00 0.00 175.29 175.01 2daw s LEU 94 N 0.30 1.63 -0.12 3.68 1.43 -1.25 -1.63 118.68 122.71 2daw s LEU 94 Ca -0.14 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2daw s LEU 94 Cb -0.17 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.60 2daw s LEU 94 CO 0.07 0.02 0.03 0.12 0.23 0.00 0.00 176.35 176.82 2daw s PHE 95 N 0.47 0.65 -0.27 0.29 5.36 -0.89 -4.94 117.98 118.64 2daw s PHE 95 Ca -0.07 -0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 55.53 2daw s PHE 95 Cb -0.11 -0.82 0.04 0.00 -0.34 0.00 0.00 43.02 41.79 2daw s PHE 95 CO 0.01 -0.42 -0.03 0.20 -1.46 0.00 0.00 175.22 173.51 2daw s GLY 96 N 1.98 1.69 -0.04 13.12 0.00 -1.26 -0.31 107.32 122.51 2daw s GLY 96 Ca 0.03 -1.59 0.06 0.00 0.00 0.00 0.00 44.72 43.22 2daw s GLY 96 CO -0.06 0.60 -0.22 1.09 0.00 0.00 0.00 173.10 174.50 2daw s ARG 97 N 1.30 2.06 -0.03 2.90 1.70 -1.12 -4.84 118.95 120.93 2daw s ARG 97 Ca -0.02 -0.80 -0.00 0.00 -0.47 0.00 0.00 55.73 54.43 2daw s ARG 97 Cb -0.18 -1.86 0.03 0.00 -0.57 0.00 0.00 34.95 32.37 2daw s ARG 97 CO -0.03 0.41 0.01 0.45 -1.08 0.00 0.00 175.30 175.06 2daw s SER 98 N -0.30 0.59 0.22 -2.89 0.15 -1.26 -3.25 113.70 106.96 2daw s SER 98 Ca 0.02 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.54 2daw s SER 98 Cb -0.11 -0.21 0.28 0.00 -1.71 0.00 0.00 66.02 64.27 2daw s SER 98 CO 0.01 -0.13 1.61 -1.28 1.20 0.00 0.00 173.24 174.65 2daw h SER 99 N 7.52 -0.65 -0.48 5.45 0.87 -2.01 0.76 113.55 125.02 2daw h SER 99 Ca -0.37 0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2daw h SER 99 Cb 1.13 0.44 -0.07 0.00 -0.44 0.00 0.00 62.40 63.46 2daw h SER 99 CO 0.41 -0.23 0.08 -0.33 -0.53 0.00 0.00 176.83 176.23 2daw h GLU 100 N 0.00 0.20 -6.73 2.24 4.39 -1.96 -3.42 114.58 109.30 2daw h GLU 100 Ca 0.34 -0.01 -0.37 0.00 0.34 0.00 0.00 59.36 59.66 2daw h GLU 100 Cb 0.52 -0.05 0.20 0.00 -0.10 0.00 0.00 28.75 29.32 2daw h GLU 100 CO -0.73 0.13 -0.35 1.28 -1.16 0.00 0.00 179.01 178.19 2daw n LEU 101 N -5.13 -1.36 0.00 1.33 4.77 0.26 -5.05 117.00 111.82 2daw n LEU 101 Ca 0.05 -0.46 -0.28 0.00 -0.03 0.00 0.00 56.01 55.29 2daw n LEU 101 Cb 0.24 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 2daw n LEU 101 CO 0.20 -3.71 -0.20 -0.67 -1.33 0.00 0.00 177.39 171.67 2daw n ASP 102 N -3.82 3.02 -0.03 -1.43 2.03 -1.26 -4.92 116.55 110.14 2daw n ASP 102 Ca 0.06 -2.95 -0.14 0.00 0.52 0.00 0.00 54.79 52.28 2daw n ASP 102 Cb 0.54 0.38 -0.10 0.00 -0.72 0.00 0.00 41.12 41.21 2daw n ASP 102 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2daw h ARG 103 N 0.00 0.16 0.00 -0.67 2.43 -1.96 -1.37 114.38 112.97 2daw h ARG 103 Ca -0.36 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 58.61 2daw h ARG 103 Cb 1.12 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2daw h ARG 103 CO 0.60 0.77 -0.35 1.25 -1.51 0.00 0.00 179.97 180.72 2daw h HIS 104 N -0.42 0.00 0.08 2.20 2.76 -2.00 -2.65 115.15 115.13 2daw h HIS 104 Ca -0.01 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 2daw h HIS 104 Cb 0.79 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.77 2daw h HIS 104 CO 0.14 0.35 -1.16 1.96 -1.30 0.00 0.00 177.93 177.93 2daw h GLN 105 N 0.00 0.52 0.23 5.26 4.20 -1.96 -3.24 115.11 120.12 2daw h GLN 105 Ca -0.00 -0.68 -0.01 0.00 0.06 0.00 0.00 58.65 58.02 2daw h GLN 105 Cb 0.97 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2daw h GLN 105 CO 0.05 1.28 -0.11 1.96 -0.67 0.00 0.00 178.83 181.34 2daw h GLN 106 N 0.24 -0.30 -1.08 1.46 4.20 -1.21 -2.80 115.11 115.62 2daw h GLN 106 Ca -0.15 0.02 0.33 0.00 0.06 0.00 0.00 58.65 58.92 2daw h GLN 106 Cb 1.83 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 29.54 2daw h GLN 106 CO 0.21 0.06 0.65 1.37 -0.67 0.00 0.00 178.83 180.46 2daw h LEU 107 N -0.76 0.45 -0.33 1.46 8.10 -1.61 0.54 115.31 123.16 2daw h LEU 107 Ca -0.03 0.16 -0.11 0.00 0.11 0.00 0.00 57.88 58.01 2daw h LEU 107 Cb 0.50 0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.82 2daw h LEU 107 CO 0.05 -0.10 -0.22 -0.07 -4.11 0.00 0.00 178.44 174.00 2daw h LEU 108 N 0.29 0.77 0.46 0.17 3.38 -1.57 -2.61 115.31 116.19 2daw h LEU 108 Ca 0.72 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2daw h LEU 108 Cb 1.83 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2daw h LEU 108 CO -0.50 1.03 -0.22 0.25 0.09 0.00 0.00 178.44 179.09 2daw h LEU 109 N 0.50 -0.52 -0.56 1.67 5.85 0.23 -1.32 115.31 121.17 2daw h LEU 109 Ca 0.07 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2daw h LEU 109 Cb 0.77 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.85 2daw h LEU 109 CO 0.06 -0.26 -0.47 0.78 -0.34 0.00 0.00 178.44 178.20 2daw h ASN 110 N -0.83 -1.66 -0.66 1.25 2.35 -0.97 0.45 115.58 115.52 2daw h ASN 110 Ca -0.06 0.23 0.12 0.00 -0.55 0.00 0.00 56.30 56.04 2daw h ASN 110 Cb 0.47 0.71 -0.09 0.00 0.05 0.00 0.00 38.32 39.46 2daw h ASN 110 CO 0.10 -0.27 0.21 0.11 -1.65 0.00 0.00 177.43 175.93 2daw h LYS 111 N -0.18 0.34 0.00 0.81 1.57 -1.57 0.17 116.57 117.72 2daw h LYS 111 Ca 0.09 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2daw h LYS 111 Cb 0.42 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2daw h LYS 111 CO -0.62 0.23 -0.15 0.78 -0.57 0.00 0.00 179.45 179.11 2daw h GLY 112 N 0.35 0.00 0.16 3.86 0.00 0.33 -1.63 103.07 106.14 2daw h GLY 112 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 2daw h GLY 112 CO -0.39 0.00 -0.14 -2.00 0.00 0.00 0.00 176.54 174.01 2daw h LEU 113 N 0.00 0.09 -1.72 3.11 5.85 0.23 -3.13 115.31 119.74 2daw h LEU 113 Ca -0.00 -0.96 0.02 0.00 0.84 0.00 0.00 57.88 57.78 2daw h LEU 113 Cb 0.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2daw h LEU 113 CO 0.02 1.04 0.23 0.71 -0.34 0.00 0.00 178.44 180.09 2daw h THR 114 N -0.85 1.04 -0.36 1.05 1.35 -0.68 -1.40 112.91 113.07 2daw h THR 114 Ca -0.02 -0.13 -0.12 0.00 -0.55 0.00 0.00 66.41 65.58 2daw h THR 114 Cb 1.08 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2daw h THR 114 CO 0.03 0.07 -0.28 0.28 -0.25 0.00 0.00 175.52 175.36 2daw h SER 115 N 0.38 0.78 -0.13 5.36 0.02 -1.39 0.08 113.55 118.65 2daw h SER 115 Ca 0.13 -0.30 -0.18 0.00 -0.84 0.00 0.00 61.79 60.60 2daw h SER 115 Cb 0.07 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2daw h SER 115 CO -0.03 1.01 -0.58 0.22 -1.14 0.00 0.00 176.83 176.31 2daw h TYR 116 N 0.65 0.93 0.00 3.45 3.20 -1.25 -3.10 116.97 120.84 2daw h TYR 116 Ca 0.08 -0.34 -0.13 0.00 3.14 0.00 0.00 58.73 61.48 2daw h TYR 116 Cb 0.80 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2daw h TYR 116 CO 0.04 1.13 -0.62 0.82 -1.64 0.00 0.00 178.16 177.90 2daw h ILE 117 N 0.55 1.27 0.00 1.81 1.08 -1.20 -3.04 117.51 117.98 2daw h ILE 117 Ca 0.00 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.22 2daw h ILE 117 Cb 1.17 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 2daw h ILE 117 CO 0.12 0.61 0.00 1.23 -0.69 0.00 0.00 178.15 179.42 2daw h GLY 118 N 2.39 0.00 0.61 5.37 0.00 -0.90 -3.06 103.07 107.48 2daw h GLY 118 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2daw h GLY 118 CO 0.08 0.00 -0.27 -0.91 0.00 0.00 0.00 176.54 175.44 2daw h THR 119 N 0.00 1.45 -2.23 4.70 1.35 -1.52 -3.46 112.91 113.20 2daw h THR 119 Ca 0.00 -1.72 -0.59 0.00 -0.55 0.00 0.00 66.41 63.55 2daw h THR 119 Cb 0.37 2.41 0.19 0.00 -1.73 0.00 0.00 68.15 69.39 2daw h THR 119 CO 0.00 0.49 -1.11 0.49 -0.25 0.00 0.00 175.52 175.14 2daw n PHE 120 N -4.48 -2.82 -3.55 4.73 3.01 -1.16 -4.95 117.46 108.23 2daw n PHE 120 Ca -0.09 0.36 -0.26 0.00 1.01 0.00 0.00 57.45 58.47 2daw n PHE 120 Cb 0.48 -1.70 -0.03 0.00 -0.01 0.00 0.00 39.48 38.22 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 -1.07 6.37 -0.04 4.37 1.01 -1.26 -5.05 116.67 121.00 2daw s ASP 121 Ca 0.56 0.46 -0.30 0.00 0.71 0.00 0.00 52.55 53.99 2daw s ASP 121 Cb -0.42 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 2daw s ASP 121 CO 0.67 -0.14 1.48 -2.16 0.21 0.00 0.00 175.17 175.22 2daw s PRO 122 N -3.66 4.24 0.00 8.23 0.04 -1.26 -3.58 135.00 139.00 2daw s PRO 122 Ca 0.40 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2daw s PRO 122 Cb -0.10 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2daw s PRO 122 CO 0.31 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2daw n GLY 123 N 3.82 1.26 3.70 0.56 0.00 -1.26 -4.87 105.19 108.39 2daw n GLY 123 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 2.09 0.52 1.61 4.04 -1.23 -5.00 118.70 120.72 2daw s GLU 124 Ca 0.00 -2.18 -0.16 0.00 0.04 0.00 0.00 54.97 52.67 2daw s GLU 124 Cb 0.00 -1.66 -0.08 0.00 0.02 0.00 0.00 34.13 32.41 2daw s GLU 124 CO 0.00 -0.19 0.99 -0.51 -1.84 0.00 0.00 175.26 173.70 2daw s LEU 125 N -3.82 3.61 0.00 1.83 1.43 -1.26 -4.58 118.68 115.90 2daw s LEU 125 Ca 0.25 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2daw s LEU 125 Cb 0.06 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.78 2daw s LEU 125 CO 0.13 -0.60 0.00 0.00 0.23 0.00 0.00 176.35 176.11 2daw h VAL 127 N 0.00 0.37 -0.50 0.00 3.04 -1.99 0.75 116.25 117.92 2daw h VAL 127 Ca 0.00 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 2daw h VAL 127 Cb 0.78 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 2daw h VAL 127 CO 0.00 0.03 0.25 0.00 -1.01 0.00 0.00 177.57 176.83 2daw h ALA 129 N 1.58 0.06 -1.00 0.00 0.00 0.17 -3.35 119.26 116.72 2daw h ALA 129 Ca 0.18 -0.60 0.36 0.00 0.00 0.00 0.00 54.91 54.84 2daw h ALA 129 Cb 0.06 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 2daw h ALA 129 CO -0.03 0.19 0.34 0.00 0.00 0.00 0.00 179.25 179.76 2daw h ALA 130 N -0.30 1.78 -0.19 0.00 0.00 -1.23 0.61 119.26 119.93 2daw h ALA 130 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2daw h ALA 130 Cb 0.92 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2daw h ALA 130 CO -0.05 -0.80 0.00 -0.89 0.00 0.00 0.00 179.25 177.51 2daw n ILE 131 N -5.35 0.00 -0.06 0.00 5.41 -1.07 -1.65 119.36 116.65 2daw n ILE 131 Ca 0.32 1.47 -0.08 0.00 1.00 0.00 0.00 62.75 65.46 2daw n ILE 131 Cb 1.08 -2.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.64 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 -0.25 -0.35 0.38 5.75 -1.42 -2.79 115.11 116.43 2daw h GLN 132 Ca 0.00 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2daw h GLN 132 Cb 0.00 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2daw h GLN 132 CO 0.00 -0.17 -0.22 2.35 -2.65 0.00 0.00 178.83 178.14 2daw h TRP 133 N -0.26 -0.71 -0.88 3.99 7.01 -0.91 -1.34 115.95 122.84 2daw h TRP 133 Ca 0.14 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.27 2daw h TRP 133 Cb 0.48 0.36 -0.11 0.00 -2.10 0.00 0.00 29.16 27.79 2daw h TRP 133 CO -0.42 -0.15 -0.53 -0.07 -2.79 0.00 0.00 178.44 174.48 2daw h LEU 134 N -0.02 -1.94 -0.50 0.65 3.38 -1.05 0.21 115.31 116.04 2daw h LEU 134 Ca 0.06 0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.37 2daw h LEU 134 Cb 0.16 0.86 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 2daw h LEU 134 CO -0.34 -0.21 -0.30 0.00 0.09 0.00 0.00 178.44 177.68 2daw n GLN 135 N -5.02 -0.22 0.28 1.13 6.02 -0.55 0.20 117.38 119.21 2daw n GLN 135 Ca 0.02 1.18 0.16 0.00 -0.01 0.00 0.00 57.00 58.35 2daw n GLN 135 Cb 0.24 -1.75 0.93 0.00 1.02 0.00 0.00 30.24 30.67 2daw n GLN 135 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2daw h ASP 136 N 0.00 0.00 -1.92 1.08 3.58 -0.74 -2.54 116.42 115.88 2daw h ASP 136 Ca 0.08 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.88 2daw h ASP 136 Cb 0.21 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 40.88 2daw h ASP 136 CO -0.47 0.00 -0.12 0.59 -2.88 0.00 0.00 179.24 176.36 2daw n ASN 137 N -3.74 5.55 0.01 2.28 3.02 0.52 -4.65 115.26 118.25 2daw n ASN 137 Ca -0.02 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 2daw n ASN 137 Cb 0.14 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.38 0.10 -0.28 6.41 2.88 0.06 -4.74 113.62 117.68 2daw n SER 138 Ca 0.41 0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.97 2daw n SER 138 Cb 0.45 -0.02 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 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 1.05 -1.35 -1.46 0.00 -1.78 -1.68 119.26 114.04 2daw h ALA 139 Ca 0.00 -0.01 0.42 0.00 0.00 0.00 0.00 54.91 55.32 2daw h ALA 139 Cb 0.66 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2daw h ALA 139 CO 0.00 0.21 0.90 0.77 0.00 0.00 0.00 179.25 181.14 2daw h SER 140 N 0.88 0.21 0.00 0.00 0.02 -1.87 0.16 113.55 112.96 2daw h SER 140 Ca 0.33 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2daw h SER 140 Cb 0.13 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2daw h SER 140 CO -0.16 -0.09 -0.68 1.88 -1.14 0.00 0.00 176.83 176.64 2daw h TYR 141 N 0.11 0.00 0.00 3.45 -1.99 -1.64 -3.41 116.97 113.49 2daw h TYR 141 Ca 0.77 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.50 2daw h TYR 141 Cb 2.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.26 2daw h TYR 141 CO -0.00 0.99 0.00 1.19 -0.00 0.00 0.00 178.16 180.34 2daw n PHE 142 N -4.54 0.00 -4.44 4.88 3.72 -0.28 -4.82 117.46 111.98 2daw n PHE 142 Ca -0.19 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.82 2daw n PHE 142 Cb 0.50 -0.26 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 2daw n PHE 142 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2daw n LEU 143 N -1.34 -1.03 -3.68 4.37 4.77 0.41 -4.88 117.00 115.63 2daw n LEU 143 Ca 0.00 -1.21 -0.10 0.00 -0.03 0.00 0.00 56.01 54.67 2daw n LEU 143 Cb 0.00 -1.69 -0.03 0.00 -2.33 0.00 0.00 43.42 39.37 2daw n LEU 143 CO 0.00 0.22 0.30 0.21 -1.33 0.00 0.00 177.39 176.79 2daw s ASN 144 N -3.53 -0.32 -0.04 -1.43 3.84 -1.26 -5.13 114.94 107.07 2daw s ASN 144 Ca 0.62 -0.38 -0.25 0.00 0.21 0.00 0.00 52.86 53.06 2daw s ASN 144 Cb -0.36 0.58 0.05 0.00 -0.55 0.00 0.00 41.25 40.98 2daw s ASN 144 CO 1.00 -1.04 0.54 -0.60 -2.79 0.00 0.00 177.10 174.22 2daw s ARG 145 N -3.85 0.92 0.18 0.43 3.52 -1.26 -4.95 118.95 113.94 2daw s ARG 145 Ca 0.07 0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 2daw s ARG 145 Cb -0.01 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 2daw s ARG 145 CO -0.05 -0.28 0.17 1.63 -0.81 0.00 0.00 175.30 175.96 2daw n LYS 146 N 1.04 0.25 -4.45 5.12 4.76 -1.26 -5.18 118.16 118.44 2daw n LYS 146 Ca -0.20 -1.76 -0.23 0.00 -2.87 0.00 0.00 58.31 53.25 2daw n LYS 146 Cb 0.57 1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 35.14 2daw n LYS 146 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2daw s LEU 147 N 0.00 2.59 0.40 -0.35 -0.00 -1.26 -5.16 118.68 114.91 2daw s LEU 147 Ca 0.21 -1.05 0.06 0.00 -0.00 0.00 0.00 54.13 53.34 2daw s LEU 147 Cb 0.01 -0.97 -0.07 0.00 -0.00 0.00 0.00 46.19 45.16 2daw s LEU 147 CO 0.15 -0.05 0.02 0.68 -0.00 0.00 0.00 176.35 177.15 2daw s VAL 148 N -2.65 1.72 0.30 1.48 -7.23 -1.26 -5.17 120.40 107.60 2daw s VAL 148 Ca 0.29 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2daw s VAL 148 Cb -0.03 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 2daw s VAL 148 CO 0.13 0.00 0.41 -0.55 -0.31 0.00 0.00 175.10 174.79 2daw s SER 149 N -3.68 0.63 0.00 4.85 0.15 -1.26 -5.17 113.70 109.22 2daw s SER 149 Ca 0.32 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2daw s SER 149 Cb 0.09 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2daw s SER 149 CO 0.16 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 174.03 2daw n GLY 150 N -0.49 4.69 2.19 9.45 0.00 -1.26 -5.15 105.19 114.62 2daw n GLY 150 Ca 0.01 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 2daw n GLY 150 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2daw n PRO 151 N -1.90 -2.36 -3.86 1.61 -0.04 -1.26 -5.10 135.00 122.09 2daw n PRO 151 Ca 0.00 -1.09 -0.09 0.00 -0.04 0.00 0.00 63.50 62.27 2daw n PRO 151 Cb 0.00 -1.02 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2daw n PRO 151 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2daw s SER 152 N -3.35 0.09 0.29 3.54 1.04 -1.26 -5.19 113.70 108.86 2daw s SER 152 Ca 0.44 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 55.80 2daw s SER 152 Cb -0.04 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 2daw s SER 152 CO 0.34 -1.57 0.25 -0.44 0.98 0.00 0.00 173.24 172.80 2daw s SER 153 N -3.07 1.14 0.00 7.02 0.01 -1.26 -5.38 113.70 112.16 2daw s SER 153 Ca 0.17 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2daw s SER 153 Cb -0.04 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2daw s SER 153 CO 0.12 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.36