#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daw h SER 2 N 0.00 -0.42 -3.21 1.61 4.64 -2.13 -3.39 113.55 110.65 2daw h SER 2 Ca 0.00 0.15 -0.41 0.00 -0.47 0.00 0.00 61.79 61.06 2daw h SER 2 Cb 0.00 0.30 -0.40 0.00 -0.31 0.00 0.00 62.40 61.99 2daw h SER 2 CO 0.00 -0.15 -0.75 -0.55 -0.87 0.00 0.00 176.83 174.51 2daw s SER 3 N -5.23 1.65 0.00 4.97 0.15 -1.26 -5.12 113.70 108.87 2daw s SER 3 Ca -0.14 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2daw s SER 3 Cb 0.17 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2daw s SER 3 CO 0.72 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.49 2daw n GLY 4 N 5.27 4.03 3.19 9.45 0.00 -1.26 -5.18 105.19 120.69 2daw n GLY 4 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 2daw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2daw s SER 5 N 0.00 0.21 0.26 1.61 1.04 -1.26 -4.62 113.70 110.94 2daw s SER 5 Ca 0.00 -0.80 -0.21 0.00 0.48 0.00 0.00 55.95 55.42 2daw s SER 5 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.49 2daw s SER 5 CO 0.00 -0.72 0.86 -0.55 0.98 0.00 0.00 173.24 173.81 2daw s SER 6 N -2.90 -0.12 0.00 7.02 0.15 -1.26 -5.15 113.70 111.44 2daw s SER 6 Ca 0.08 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2daw s SER 6 Cb 0.06 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2daw s SER 6 CO -0.09 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 173.70 2daw n GLY 7 N -0.52 2.56 0.14 9.45 0.00 -1.26 -5.03 105.19 110.54 2daw n GLY 7 Ca -0.06 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 2daw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2daw h MET 8 N 0.00 0.41 -4.56 1.61 -0.00 -2.07 -3.39 114.93 106.93 2daw h MET 8 Ca 0.00 -0.32 -0.72 0.00 -0.00 0.00 0.00 59.70 58.65 2daw h MET 8 Cb 0.00 0.06 -0.21 0.00 -0.00 0.00 0.00 31.60 31.45 2daw h MET 8 CO 0.00 0.95 0.40 -1.12 -0.00 0.00 0.00 176.91 177.14 2daw s SER 9 N -6.48 6.54 0.64 -0.10 0.01 -1.26 -5.04 113.70 108.02 2daw s SER 9 Ca -0.14 -2.06 -0.06 0.00 1.31 0.00 0.00 55.95 55.00 2daw s SER 9 Cb 0.05 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2daw s SER 9 CO 0.79 -0.93 0.96 0.00 0.41 0.00 0.00 173.24 174.47 2daw s ALA 10 N 1.91 3.23 -0.12 1.44 0.00 -1.26 -5.08 121.76 121.87 2daw s ALA 10 Ca 0.22 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 2daw s ALA 10 Cb -0.12 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2daw s ALA 10 CO -0.05 -1.03 0.01 0.45 0.00 0.00 0.00 175.76 175.15 2daw s SER 11 N -4.40 5.29 0.28 0.00 0.15 -1.26 -4.99 113.70 108.77 2daw s SER 11 Ca 0.57 0.10 0.06 0.00 0.70 0.00 0.00 55.95 57.38 2daw s SER 11 Cb -0.11 -1.66 0.79 0.00 -1.71 0.00 0.00 66.02 63.34 2daw s SER 11 CO 0.45 0.30 1.36 0.52 1.20 0.00 0.00 173.24 177.07 2daw n VAL 12 N 2.65 -0.36 -0.01 4.45 0.31 -1.26 -1.29 118.33 122.82 2daw n VAL 12 Ca -0.18 1.86 -0.00 0.00 -0.01 0.00 0.00 64.34 66.01 2daw n VAL 12 Cb 0.53 -2.79 -0.00 0.00 -0.91 0.00 0.00 33.84 30.67 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 -5.18 -0.01 -0.38 5.55 5.02 -1.26 -0.65 118.16 121.25 2daw n LYS 13 Ca 0.23 0.92 -0.01 0.00 -2.02 0.00 0.00 58.31 57.44 2daw n LYS 13 Cb 0.78 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 34.44 2daw n LYS 13 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2daw n GLU 14 N -2.98 -0.23 0.07 1.97 4.71 -0.41 -0.69 120.64 123.08 2daw n GLU 14 Ca 0.00 1.52 -0.06 0.00 -0.01 0.00 0.00 57.16 58.60 2daw n GLU 14 Cb 0.01 -2.25 -0.04 0.00 -1.01 0.00 0.00 31.44 28.15 2daw n GLU 14 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2daw h SER 15 N 0.00 -0.54 -0.86 1.62 0.02 -0.92 -2.65 113.55 110.22 2daw h SER 15 Ca 0.34 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.52 2daw h SER 15 Cb 0.59 0.19 -0.16 0.00 0.14 0.00 0.00 62.40 63.15 2daw h SER 15 CO -0.98 -0.22 -0.16 -0.07 -1.14 0.00 0.00 176.83 174.27 2daw h LEU 16 N -0.31 -0.70 -0.90 5.07 3.38 0.15 0.24 115.31 122.23 2daw h LEU 16 Ca -0.01 0.25 0.28 0.00 0.09 0.00 0.00 57.88 58.49 2daw h LEU 16 Cb 0.29 0.50 -0.17 0.00 0.09 0.00 0.00 40.66 41.38 2daw h LEU 16 CO -0.07 -0.28 0.12 1.67 0.09 0.00 0.00 178.44 179.98 2daw n GLN 17 N -5.52 -0.07 -0.09 1.13 0.00 0.13 0.14 117.38 113.11 2daw n GLN 17 Ca 0.14 1.33 -0.13 0.00 -0.00 0.00 0.00 57.00 58.34 2daw n GLN 17 Cb 0.48 -2.17 -0.04 0.00 0.00 0.00 0.00 30.24 28.50 2daw n GLN 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2daw h LEU 18 N 0.00 0.72 -1.51 1.69 4.07 -0.48 -2.78 115.31 117.02 2daw h LEU 18 Ca 0.60 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2daw h LEU 18 Cb 1.33 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.87 2daw h LEU 18 CO -0.82 1.04 0.32 1.56 -1.08 0.00 0.00 178.44 179.47 2daw h GLN 19 N 0.41 0.00 0.00 1.13 7.50 0.14 0.15 115.11 124.44 2daw h GLN 19 Ca 0.04 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.13 2daw h GLN 19 Cb 0.84 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 2daw h GLN 19 CO 0.07 0.00 -0.77 1.28 -1.50 0.00 0.00 178.83 177.90 2daw n LEU 20 N -2.54 1.84 0.12 1.46 4.77 -0.87 -3.97 117.00 117.80 2daw n LEU 20 Ca -0.02 0.56 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 2daw n LEU 20 Cb 0.36 -0.87 0.68 0.00 -2.33 0.00 0.00 43.42 41.25 2daw n LEU 20 CO 0.10 -0.28 1.13 0.17 -1.33 0.00 0.00 177.39 177.19 2daw h LEU 21 N -1.00 0.00 -1.37 2.23 8.10 -1.19 0.41 115.31 122.50 2daw h LEU 21 Ca -0.09 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.83 2daw h LEU 21 Cb 0.75 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.96 2daw h LEU 21 CO -0.05 0.00 -0.31 1.05 -4.11 0.00 0.00 178.44 175.02 2daw h GLU 22 N 0.00 0.01 -0.38 0.17 4.11 -0.91 -2.93 114.58 114.66 2daw h GLU 22 Ca 0.13 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.57 2daw h GLU 22 Cb 0.55 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2daw h GLU 22 CO -0.00 0.32 0.23 0.52 0.07 0.00 0.00 179.01 180.15 2daw h MET 23 N 0.01 0.45 -0.48 1.06 2.86 -1.03 -1.62 114.93 116.18 2daw h MET 23 Ca -0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2daw h MET 23 Cb 0.55 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2daw h MET 23 CO 0.04 0.30 0.32 0.93 1.06 0.00 0.00 176.91 179.56 2daw h GLU 24 N 0.47 0.44 -0.24 1.72 5.08 -1.58 0.82 114.58 121.29 2daw h GLU 24 Ca 0.15 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2daw h GLU 24 Cb -0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2daw h GLU 24 CO -0.07 0.29 -0.58 0.52 -1.00 0.00 0.00 179.01 178.18 2daw h MET 25 N 0.45 0.75 -0.14 2.33 2.86 -1.37 -1.73 114.93 118.09 2daw h MET 25 Ca 0.21 -0.49 -0.09 0.00 -2.06 0.00 0.00 59.70 57.26 2daw h MET 25 Cb 0.24 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2daw h MET 25 CO -0.05 1.12 -0.27 -0.07 1.06 0.00 0.00 176.91 178.69 2daw h LEU 26 N 0.57 0.48 -0.05 1.22 3.38 -0.39 -3.04 115.31 117.47 2daw h LEU 26 Ca 0.00 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2daw h LEU 26 Cb 1.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2daw h LEU 26 CO 0.12 0.95 0.03 -0.26 0.09 0.00 0.00 178.44 179.36 2daw h PHE 27 N 0.03 0.07 -0.99 1.13 0.04 -0.92 -1.86 116.94 114.44 2daw h PHE 27 Ca 0.00 -0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.98 2daw h PHE 27 Cb 0.87 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.90 2daw h PHE 27 CO 0.10 0.15 0.62 1.03 -0.60 0.00 0.00 178.31 179.61 2daw h SER 28 N -0.03 0.65 0.27 2.17 0.87 -1.38 0.20 113.55 116.30 2daw h SER 28 Ca 0.02 0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 2daw h SER 28 Cb 0.10 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2daw h SER 28 CO -0.00 0.22 -0.66 0.24 -0.53 0.00 0.00 176.83 176.10 2daw h MET 29 N 0.63 0.36 -2.80 2.24 2.86 -1.35 -3.35 114.93 113.51 2daw h MET 29 Ca 0.56 -0.27 -0.65 0.00 -2.06 0.00 0.00 59.70 57.28 2daw h MET 29 Cb 1.06 0.05 -0.39 0.00 0.06 0.00 0.00 31.60 32.38 2daw h MET 29 CO -0.33 0.89 -0.35 1.19 1.06 0.00 0.00 176.91 179.37 2daw n PHE 30 N -3.86 3.54 0.27 -0.22 3.72 0.66 -4.88 117.46 116.69 2daw n PHE 30 Ca -0.03 -4.07 0.15 0.00 -0.05 0.00 0.00 57.45 53.45 2daw n PHE 30 Cb 0.66 -0.77 0.66 0.00 -0.94 0.00 0.00 39.48 39.09 2daw n PHE 30 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2daw h PRO 31 N 5.08 0.00 -6.68 -1.08 0.13 -1.63 -3.42 132.00 124.40 2daw h PRO 31 Ca 0.18 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 2daw h PRO 31 Cb 0.72 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.78 2daw h PRO 31 CO 0.85 0.06 0.94 0.54 -0.23 0.00 0.00 178.00 180.16 2daw s ASN 32 N -5.83 6.62 -0.34 1.44 2.20 -1.26 -4.95 114.94 112.82 2daw s ASN 32 Ca 0.00 0.52 -0.27 0.00 -0.94 0.00 0.00 52.86 52.18 2daw s ASN 32 Cb 0.10 -2.55 -0.06 0.00 -2.00 0.00 0.00 41.25 36.74 2daw s ASN 32 CO 0.56 -1.26 2.29 -1.58 -2.94 0.00 0.00 177.10 174.17 2daw s GLN 33 N 4.48 2.69 0.00 3.55 0.74 -1.26 -3.13 119.66 126.73 2daw s GLN 33 Ca 0.49 1.75 0.00 0.00 0.05 0.00 0.00 55.36 57.65 2daw s GLN 33 Cb -0.08 -4.46 0.00 0.00 1.10 0.00 0.00 33.01 29.57 2daw s GLN 33 CO 0.31 -2.60 0.00 0.41 -0.55 0.00 0.00 175.29 172.86 2daw n GLY 34 N 5.86 0.16 0.06 2.59 0.00 -1.26 -5.03 105.19 107.57 2daw n GLY 34 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -5.27 1.61 5.08 -1.89 -3.45 114.58 110.66 2daw h GLU 35 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 2daw h GLU 35 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 2daw h GLU 35 CO 0.00 0.23 -0.08 0.08 -1.00 0.00 0.00 179.01 178.23 2daw s VAL 36 N -1.80 5.08 -0.31 3.13 1.01 -1.25 -2.87 120.40 123.39 2daw s VAL 36 Ca -0.07 0.63 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 2daw s VAL 36 Cb -0.00 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2daw s VAL 36 CO 0.18 0.01 0.07 -0.54 0.00 0.00 0.00 175.10 174.82 2daw s LYS 37 N 2.28 2.81 -0.45 2.72 3.01 -1.07 -4.95 119.74 124.08 2daw s LYS 37 Ca 0.19 -1.04 -0.18 0.00 -1.01 0.00 0.00 55.97 53.93 2daw s LYS 37 Cb -0.16 -3.34 0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2daw s LYS 37 CO 0.11 -0.55 0.49 -0.51 0.51 0.00 0.00 175.35 175.40 2daw s LEU 38 N 1.42 4.96 0.62 3.17 1.43 -1.26 -3.35 118.68 125.67 2daw s LEU 38 Ca -0.00 -0.79 0.23 0.00 -1.03 0.00 0.00 54.13 52.53 2daw s LEU 38 Cb -0.18 -2.40 0.99 0.00 0.03 0.00 0.00 46.19 44.63 2daw s LEU 38 CO 0.01 -0.68 1.49 -0.33 0.23 0.00 0.00 176.35 177.08 2daw h GLU 39 N 8.81 0.00 -0.87 1.70 5.08 -1.98 -3.36 114.58 123.96 2daw h GLU 39 Ca -0.27 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.26 2daw h GLU 39 Cb 1.11 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.14 2daw h GLU 39 CO 0.85 0.00 0.03 -0.51 -1.00 0.00 0.00 179.01 178.38 2daw s ASP 40 N -3.97 -0.80 0.23 1.42 1.01 -1.26 -5.00 116.67 108.29 2daw s ASP 40 Ca -0.03 0.72 0.16 0.00 0.71 0.00 0.00 52.55 54.11 2daw s ASP 40 Cb 0.11 1.76 0.84 0.00 1.01 0.00 0.00 42.92 46.64 2daw s ASP 40 CO 0.37 -0.15 1.48 1.33 0.21 0.00 0.00 175.17 178.41 2daw n VAL 41 N 5.31 1.29 0.58 -1.27 0.24 -1.26 -0.85 118.33 122.37 2daw n VAL 41 Ca -0.07 0.65 0.11 0.00 -2.04 0.00 0.00 64.34 63.00 2daw n VAL 41 Cb 0.52 -1.64 0.45 0.00 -1.47 0.00 0.00 33.84 31.70 2daw n VAL 41 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2daw n ASN 42 N -2.04 0.44 0.14 -1.34 3.02 -1.26 -3.11 115.26 111.10 2daw n ASN 42 Ca -0.01 0.58 0.15 0.00 -0.03 0.00 0.00 54.58 55.27 2daw n ASN 42 Cb 0.03 -0.68 0.70 0.00 -0.61 0.00 0.00 39.78 39.22 2daw n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2daw h ALA 43 N 2.50 2.19 0.17 5.41 0.00 -1.32 0.50 119.26 128.71 2daw h ALA 43 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2daw h ALA 43 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2daw h ALA 43 CO 0.00 -0.34 -1.79 -0.07 0.00 0.00 0.00 179.25 177.05 2daw h LEU 44 N 0.00 0.56 0.70 0.00 3.38 -1.78 -3.36 115.31 114.81 2daw h LEU 44 Ca 0.13 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.16 2daw h LEU 44 Cb 0.53 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2daw h LEU 44 CO -0.00 1.77 -0.34 0.74 0.09 0.00 0.00 178.44 180.71 2daw h THR 45 N 0.10 0.00 -0.93 0.22 2.02 -1.50 -3.02 112.91 109.80 2daw h THR 45 Ca -0.35 -0.22 0.36 0.00 0.77 0.00 0.00 66.41 66.97 2daw h THR 45 Cb 2.08 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 68.36 2daw h THR 45 CO 0.16 0.00 0.54 0.59 0.37 0.00 0.00 175.52 177.18 2daw n ASN 46 N -5.14 0.25 0.39 4.18 3.02 0.09 0.12 115.26 118.19 2daw n ASN 46 Ca -0.12 1.30 -0.16 0.00 -0.03 0.00 0.00 54.58 55.57 2daw n ASN 46 Cb 0.37 -0.63 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.00 -1.39 2.41 2.04 -1.68 -2.88 117.51 116.01 2daw h ILE 47 Ca 0.71 -0.19 0.45 0.00 1.00 0.00 0.00 64.86 66.83 2daw h ILE 47 Cb 2.01 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.99 2daw h ILE 47 CO -0.55 0.00 0.94 0.29 0.00 0.00 0.00 178.15 178.83 2daw n LYS 48 N -5.27 -0.02 -0.03 2.37 5.02 0.12 0.16 118.16 120.50 2daw n LYS 48 Ca -0.13 1.04 -0.13 0.00 -2.02 0.00 0.00 58.31 57.07 2daw n LYS 48 Cb 0.40 -2.17 -0.10 0.00 -0.02 0.00 0.00 35.03 33.14 2daw n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2daw h ARG 49 N 0.00 0.06 -0.22 1.97 3.08 -1.30 -3.28 114.38 114.68 2daw h ARG 49 Ca 0.79 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.77 2daw h ARG 49 Cb 2.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.82 2daw h ARG 49 CO -0.27 0.60 0.01 -0.92 -1.07 0.00 0.00 179.97 178.32 2daw h TYR 50 N -0.47 0.42 -1.67 3.04 5.03 0.16 -2.12 116.97 121.37 2daw h TYR 50 Ca 0.00 -0.07 0.50 0.00 2.58 0.00 0.00 58.73 61.75 2daw h TYR 50 Cb 0.59 -0.11 -0.09 0.00 1.55 0.00 0.00 36.73 38.67 2daw h TYR 50 CO 0.12 0.55 1.17 -0.07 -1.32 0.00 0.00 178.16 178.61 2daw h LEU 51 N 0.16 0.08 0.00 2.82 3.38 -0.79 1.60 115.31 122.56 2daw h LEU 51 Ca 0.06 0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 2daw h LEU 51 Cb 0.38 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2daw h LEU 51 CO 0.01 -0.07 -1.69 -0.08 0.09 0.00 0.00 178.44 176.71 2daw h GLU 52 N 0.02 0.01 0.00 1.13 4.81 -1.56 -3.48 114.58 115.51 2daw h GLU 52 Ca 0.86 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 60.08 2daw h GLU 52 Cb 3.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.60 2daw h GLU 52 CO -0.15 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 2daw n GLY 53 N 1.56 1.55 1.98 1.92 0.00 0.54 -5.01 105.19 107.73 2daw n GLY 53 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.09 2.93 -4.98 2.61 5.66 -0.83 -4.91 114.28 113.67 2daw n THR 54 Ca 0.00 -1.68 -0.32 0.00 -3.05 0.00 0.00 64.05 59.00 2daw n THR 54 Cb 0.00 -0.36 -0.15 0.00 -1.55 0.00 0.00 70.33 68.27 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 -3.01 3.06 0.26 1.09 6.06 -1.26 -4.84 118.95 120.31 2daw s ARG 55 Ca 0.55 -0.77 0.17 0.00 -2.50 0.00 0.00 55.73 53.18 2daw s ARG 55 Cb 0.44 -2.44 0.07 0.00 0.06 0.00 0.00 34.95 33.08 2daw s ARG 55 CO 0.13 0.28 1.32 0.93 -2.50 0.00 0.00 175.30 175.47 2daw h GLU 56 N 6.43 0.00 -4.56 5.12 3.07 -1.99 -3.46 114.58 119.19 2daw h GLU 56 Ca -0.28 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.26 2daw h GLU 56 Cb 1.21 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.87 2daw h GLU 56 CO 0.51 0.33 -0.75 0.00 -1.40 0.00 0.00 179.01 177.70 2daw s ALA 57 N -3.04 0.60 -0.09 3.43 0.00 -1.26 -5.10 121.76 116.30 2daw s ALA 57 Ca 0.03 -0.53 -0.32 0.00 0.00 0.00 0.00 51.96 51.14 2daw s ALA 57 Cb 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2daw s ALA 57 CO 0.75 0.07 2.00 -0.11 0.00 0.00 0.00 175.76 178.47 2daw n LEU 58 N 2.19 3.58 -4.71 0.00 -0.00 -1.26 -4.95 117.00 111.85 2daw n LEU 58 Ca -0.18 0.76 -0.29 0.00 -0.00 0.00 0.00 56.01 56.30 2daw n LEU 58 Cb 0.56 -1.45 0.15 0.00 -0.00 0.00 0.00 43.42 42.68 2daw n LEU 58 CO 0.23 -0.13 0.66 -2.16 -0.00 0.00 0.00 177.39 175.99 2daw s PRO 59 N 4.82 1.03 0.89 1.96 0.04 -1.26 -5.03 135.00 137.44 2daw s PRO 59 Ca 0.94 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2daw s PRO 59 Cb -0.55 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.33 2daw s PRO 59 CO 0.45 -2.38 1.09 -1.25 0.04 0.00 0.00 177.00 174.95 2daw s PRO 60 N -4.94 1.30 0.51 0.56 0.04 -1.26 -5.04 135.00 126.16 2daw s PRO 60 Ca 0.64 0.84 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2daw s PRO 60 Cb -0.18 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.64 2daw s PRO 60 CO 0.57 -2.22 0.70 0.36 0.04 0.00 0.00 177.00 176.45 2daw n LYS 61 N -3.87 0.20 -3.19 4.56 2.85 -1.26 -4.83 118.16 112.62 2daw n LYS 61 Ca 0.07 -2.01 -0.46 0.00 -1.05 0.00 0.00 58.31 54.86 2daw n LYS 61 Cb 0.55 -0.43 -0.03 0.00 -0.65 0.00 0.00 35.03 34.48 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 -2.06 5.20 -0.20 0.58 1.01 -1.25 -4.85 121.20 119.62 2daw s ILE 62 Ca 0.47 -1.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.23 2daw s ILE 62 Cb -0.03 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.89 2daw s ILE 62 CO 0.31 -1.14 -0.01 -0.70 0.00 0.00 0.00 174.94 173.40 2daw s GLU 63 N 1.43 3.59 0.37 2.79 2.12 -1.26 -3.66 118.70 124.07 2daw s GLU 63 Ca 0.18 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 54.90 2daw s GLU 63 Cb -0.14 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.22 2daw s GLU 63 CO -0.04 0.01 0.61 -0.59 -0.54 0.00 0.00 175.26 174.70 2daw s PHE 64 N 1.00 0.70 -0.06 5.30 -0.71 -1.16 -4.10 117.98 118.95 2daw s PHE 64 Ca 0.01 -1.11 0.03 0.00 -1.04 0.00 0.00 56.93 54.82 2daw s PHE 64 Cb -0.14 0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2daw s PHE 64 CO 0.01 -1.33 -0.13 0.08 -1.34 0.00 0.00 175.22 172.51 2daw s VAL 65 N -2.70 1.21 -0.17 -2.49 1.01 -1.21 -1.71 120.40 114.34 2daw s VAL 65 Ca 0.24 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2daw s VAL 65 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2daw s VAL 65 CO 0.17 0.37 0.00 -0.63 0.00 0.00 0.00 175.10 175.01 2daw s ILE 66 N 0.53 4.26 -0.32 2.22 1.01 0.23 -2.61 121.20 126.52 2daw s ILE 66 Ca -0.13 -0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 2daw s ILE 66 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2daw s ILE 66 CO 0.04 0.48 0.79 -0.89 0.00 0.00 0.00 174.94 175.35 2daw s THR 67 N 0.36 4.78 -0.66 2.92 2.01 -1.14 -0.49 115.64 123.42 2daw s THR 67 Ca -0.01 1.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.92 2daw s THR 67 Cb -0.13 -4.16 0.10 0.00 0.01 0.00 0.00 72.50 68.32 2daw s THR 67 CO 0.02 -0.28 0.84 -0.76 -0.69 0.00 0.00 174.62 173.74 2daw s LEU 68 N 2.98 5.09 -1.34 4.42 2.01 -0.12 -4.92 118.68 126.80 2daw s LEU 68 Ca 0.32 -1.41 -0.17 0.00 0.01 0.00 0.00 54.13 52.88 2daw s LEU 68 Cb -0.14 -2.35 0.04 0.00 0.01 0.00 0.00 46.19 43.75 2daw s LEU 68 CO 0.13 -1.19 1.98 1.67 1.01 0.00 0.00 176.35 179.95 2daw n GLN 69 N 6.70 2.88 -1.45 1.70 0.00 -1.26 -2.92 117.38 123.03 2daw n GLN 69 Ca -0.03 -2.86 -0.46 0.00 -0.00 0.00 0.00 57.00 53.65 2daw n GLN 69 Cb 0.44 -3.38 -0.11 0.00 0.00 0.00 0.00 30.24 27.19 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 5.85 0.02 -0.34 1.69 2.08 -1.15 -4.78 119.36 122.74 2daw n ILE 70 Ca 0.50 -0.19 -0.04 0.00 0.56 0.00 0.00 62.75 63.59 2daw n ILE 70 Cb 0.43 -1.12 -0.01 0.00 -0.75 0.00 0.00 39.64 38.19 2daw n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2daw n GLU 71 N 8.32 -0.26 -3.69 0.38 1.02 -1.26 -3.42 120.64 121.74 2daw n GLU 71 Ca 0.54 1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 58.87 2daw n GLU 71 Cb 0.14 -1.93 -0.11 0.00 -0.02 0.00 0.00 31.44 29.52 2daw n GLU 71 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2daw s GLU 72 N -5.68 0.29 0.72 3.49 2.12 -1.26 -3.45 118.70 114.92 2daw s GLU 72 Ca -0.11 0.79 -0.13 0.00 0.36 0.00 0.00 54.97 55.88 2daw s GLU 72 Cb 0.15 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.60 2daw s GLU 72 CO 0.58 -0.21 1.10 -1.25 -0.54 0.00 0.00 175.26 174.95 2daw s PRO 73 N 1.85 2.52 -0.74 4.30 0.04 -1.26 -4.59 135.00 137.12 2daw s PRO 73 Ca -0.06 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 2daw s PRO 73 Cb -0.10 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2daw s PRO 73 CO -0.11 -1.46 1.71 0.21 0.04 0.00 0.00 177.00 177.40 2daw s LYS 74 N -4.50 2.82 0.26 4.56 2.20 -1.22 -4.54 119.74 119.32 2daw s LYS 74 Ca 0.64 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 2daw s LYS 74 Cb -0.19 -4.57 -0.04 0.00 -1.51 0.00 0.00 37.83 31.53 2daw s LYS 74 CO 0.49 -2.69 0.20 0.14 -0.36 0.00 0.00 175.35 173.13 2daw s VAL 75 N 8.18 0.00 -0.07 4.02 -7.23 -1.22 -5.03 120.40 119.06 2daw s VAL 75 Ca 0.59 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2daw s VAL 75 Cb -0.09 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 2daw s VAL 75 CO 0.12 0.00 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.92 2daw s LYS 76 N -3.81 2.65 -0.13 4.82 2.20 -1.26 -2.95 119.74 121.27 2daw s LYS 76 Ca 0.40 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2daw s LYS 76 Cb 0.05 -2.16 0.04 0.00 -1.51 0.00 0.00 37.83 34.25 2daw s LYS 76 CO 0.20 0.30 0.00 0.42 -0.36 0.00 0.00 175.35 175.91 2daw s ILE 77 N 0.02 0.57 -0.39 5.43 1.01 -1.15 -4.66 121.20 122.04 2daw s ILE 77 Ca -0.09 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 2daw s ILE 77 Cb -0.15 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.49 2daw s ILE 77 CO 0.05 0.08 1.16 -1.81 0.00 0.00 0.00 174.94 174.42 2daw s ASP 78 N 1.87 6.73 -0.41 3.58 1.11 -1.15 -0.94 116.67 127.46 2daw s ASP 78 Ca 0.02 0.83 -0.15 0.00 0.18 0.00 0.00 52.55 53.42 2daw s ASP 78 Cb -0.14 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.32 2daw s ASP 78 CO -0.07 -1.10 0.32 -0.22 1.18 0.00 0.00 175.17 175.29 2daw s LEU 79 N 4.20 5.07 -0.62 1.23 2.96 0.36 -2.59 118.68 129.28 2daw s LEU 79 Ca 0.49 -0.86 -0.25 0.00 -0.22 0.00 0.00 54.13 53.29 2daw s LEU 79 Cb -0.11 -2.20 0.04 0.00 0.50 0.00 0.00 46.19 44.42 2daw s LEU 79 CO 0.24 -0.47 1.06 -1.10 -1.32 0.00 0.00 176.35 174.76 2daw s GLN 80 N 1.76 3.28 -0.07 1.98 -0.21 -0.20 -0.61 119.66 125.60 2daw s GLN 80 Ca 0.06 -0.31 -0.07 0.00 0.02 0.00 0.00 55.36 55.06 2daw s GLN 80 Cb -0.19 -4.12 -0.04 0.00 1.00 0.00 0.00 33.01 29.66 2daw s GLN 80 CO 0.11 -1.74 0.20 0.54 -2.12 0.00 0.00 175.29 172.28 2daw s VAL 81 N 4.52 5.40 -0.20 1.09 0.11 -0.69 -1.90 120.40 128.74 2daw s VAL 81 Ca 0.31 0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 59.55 2daw s VAL 81 Cb -0.12 -3.49 0.07 0.00 -1.53 0.00 0.00 36.38 31.32 2daw s VAL 81 CO 0.17 0.53 0.13 -0.89 -3.33 0.00 0.00 175.10 171.70 2daw s THR 82 N -1.13 -0.14 -0.45 5.04 2.01 -1.00 -2.97 115.64 117.00 2daw s THR 82 Ca 0.20 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 2daw s THR 82 Cb -0.13 -0.66 0.09 0.00 0.01 0.00 0.00 72.50 71.81 2daw s THR 82 CO 0.09 -0.34 0.34 -0.04 -0.69 0.00 0.00 174.62 173.98 2daw s MET 83 N 2.17 2.73 0.81 4.92 -1.94 -1.24 -2.61 119.30 124.14 2daw s MET 83 Ca 0.04 -1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 52.41 2daw s MET 83 Cb -0.16 -3.96 0.08 0.00 2.01 0.00 0.00 34.83 32.80 2daw s MET 83 CO -0.14 -1.05 1.09 -1.25 -0.01 0.00 0.00 175.02 173.66 2daw s PRO 84 N 1.49 1.99 0.57 2.03 0.04 -1.26 -3.93 135.00 135.94 2daw s PRO 84 Ca 0.04 1.08 0.18 0.00 0.04 0.00 0.00 61.00 62.34 2daw s PRO 84 Cb -0.25 -1.87 1.00 0.00 0.04 0.00 0.00 34.50 33.42 2daw s PRO 84 CO 0.03 -1.80 1.52 0.45 0.04 0.00 0.00 177.00 177.24 2daw h HIS 85 N -1.24 0.00 0.00 0.56 3.86 -1.97 -0.77 115.15 115.59 2daw h HIS 85 Ca -0.45 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.73 2daw h HIS 85 Cb 1.24 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.71 2daw h HIS 85 CO 0.54 0.00 -0.24 0.77 0.86 0.00 0.00 177.93 179.86 2daw h SER 86 N 0.00 0.00 -1.53 2.45 0.02 -1.94 -3.40 113.55 109.15 2daw h SER 86 Ca 0.00 -0.31 -0.50 0.00 -0.84 0.00 0.00 61.79 60.13 2daw h SER 86 Cb 0.99 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.67 2daw h SER 86 CO 0.00 0.79 -0.87 0.00 -1.14 0.00 0.00 176.83 175.60 2daw n TYR 87 N -4.67 -2.09 0.22 3.45 4.19 -0.30 -2.48 117.16 115.49 2daw n TYR 87 Ca -0.08 0.44 0.10 0.00 3.31 0.00 0.00 57.90 61.67 2daw n TYR 87 Cb 0.25 -1.42 0.50 0.00 0.49 0.00 0.00 39.34 39.16 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 0.12 0.00 -0.67 2.98 0.13 -1.86 -3.43 132.00 129.28 2daw h PRO 88 Ca -0.32 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.05 2daw h PRO 88 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2daw h PRO 88 CO 0.36 0.23 0.21 0.66 -0.23 0.00 0.00 178.00 179.24 2daw n TYR 89 N -3.50 0.63 -3.95 1.56 4.02 -1.03 -4.21 117.16 110.67 2daw n TYR 89 Ca -0.01 0.79 -0.24 0.00 -0.01 0.00 0.00 57.90 58.44 2daw n TYR 89 Cb 0.40 -1.13 -0.03 0.00 -0.02 0.00 0.00 39.34 38.56 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 -9.34 4.33 -0.57 7.72 0.20 -1.24 -4.44 118.68 115.33 2daw s LEU 90 Ca -0.07 0.14 -0.28 0.00 0.69 0.00 0.00 54.13 54.61 2daw s LEU 90 Cb 0.21 -2.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.10 2daw s LEU 90 CO 0.52 -0.00 1.34 0.00 -0.29 0.00 0.00 176.35 177.92 2daw s ALA 91 N -1.84 2.87 1.29 5.97 0.00 -1.26 -4.15 121.76 124.64 2daw s ALA 91 Ca 0.34 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 2daw s ALA 91 Cb -0.10 -4.08 0.30 0.00 0.00 0.00 0.00 23.12 19.24 2daw s ALA 91 CO 0.29 -2.85 0.68 1.47 0.00 0.00 0.00 175.76 175.35 2daw n LEU 92 N 9.19 0.00 -3.95 0.00 -0.00 -1.26 -5.01 117.00 115.96 2daw n LEU 92 Ca 0.11 -0.69 -0.29 0.00 -0.00 0.00 0.00 56.01 55.13 2daw n LEU 92 Cb 0.49 -0.87 -0.16 0.00 -0.00 0.00 0.00 43.42 42.88 2daw n LEU 92 CO 0.71 -2.65 -0.45 -1.58 -0.00 0.00 0.00 177.39 173.43 2daw s GLN 93 N -4.43 1.80 0.08 1.47 0.74 -1.07 -5.01 119.66 113.24 2daw s GLN 93 Ca 0.53 -0.69 0.07 0.00 0.05 0.00 0.00 55.36 55.32 2daw s GLN 93 Cb -0.09 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.76 2daw s GLN 93 CO 0.44 -0.41 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.15 2daw s LEU 94 N 1.50 2.98 -0.25 3.68 1.43 -1.26 -2.37 118.68 124.40 2daw s LEU 94 Ca 0.00 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2daw s LEU 94 Cb -0.16 -1.77 0.14 0.00 0.03 0.00 0.00 46.19 44.43 2daw s LEU 94 CO -0.08 0.21 0.38 0.12 0.23 0.00 0.00 176.35 177.20 2daw s PHE 95 N -1.13 -0.84 -0.16 0.29 5.36 -0.80 -4.84 117.98 115.87 2daw s PHE 95 Ca 0.20 0.77 -0.05 0.00 -0.96 0.00 0.00 56.93 56.88 2daw s PHE 95 Cb -0.11 -0.00 -0.04 0.00 -0.34 0.00 0.00 43.02 42.53 2daw s PHE 95 CO 0.11 -0.75 0.03 0.20 -1.46 0.00 0.00 175.22 173.35 2daw s GLY 96 N 2.54 1.86 -0.08 13.12 0.00 -1.26 -1.03 107.32 122.47 2daw s GLY 96 Ca 0.12 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 44.01 2daw s GLY 96 CO -0.17 -0.10 0.21 1.09 0.00 0.00 0.00 173.10 174.13 2daw s ARG 97 N 0.10 0.23 0.01 2.90 1.70 -1.07 -4.74 118.95 118.08 2daw s ARG 97 Ca 0.03 0.33 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 2daw s ARG 97 Cb -0.13 0.07 -0.01 0.00 -0.57 0.00 0.00 34.95 34.31 2daw s ARG 97 CO 0.01 -0.06 -0.03 -1.54 -1.08 0.00 0.00 175.30 172.61 2daw s SER 98 N 0.33 0.26 0.29 -2.89 1.04 -1.26 -2.93 113.70 108.53 2daw s SER 98 Ca -0.02 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2daw s SER 98 Cb -0.03 0.05 0.69 0.00 0.10 0.00 0.00 66.02 66.83 2daw s SER 98 CO -0.01 -0.17 1.72 0.28 0.98 0.00 0.00 173.24 176.03 2daw h SER 99 N 5.20 0.42 0.01 7.02 0.02 -2.02 -0.77 113.55 123.42 2daw h SER 99 Ca -0.30 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2daw h SER 99 Cb 1.21 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2daw h SER 99 CO 0.45 0.07 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.87 2daw h GLU 100 N 0.48 -0.01 -7.02 3.45 4.39 -1.96 -3.43 114.58 110.48 2daw h GLU 100 Ca 0.54 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.70 2daw h GLU 100 Cb 0.97 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.73 2daw h GLU 100 CO -0.48 0.09 0.60 -0.51 -1.16 0.00 0.00 179.01 177.56 2daw s LEU 101 N -9.99 3.97 0.46 1.33 1.43 -0.30 -5.03 118.68 110.55 2daw s LEU 101 Ca -0.14 2.70 0.08 0.00 -1.03 0.00 0.00 54.13 55.74 2daw s LEU 101 Cb 0.05 -4.17 0.02 0.00 0.03 0.00 0.00 46.19 42.12 2daw s LEU 101 CO 0.66 -1.31 0.55 -1.81 0.23 0.00 0.00 176.35 174.67 2daw s ASP 102 N -0.92 5.29 0.07 2.29 1.11 -1.26 -4.67 116.67 118.58 2daw s ASP 102 Ca 0.67 -0.66 -0.23 0.00 0.18 0.00 0.00 52.55 52.50 2daw s ASP 102 Cb -0.39 -0.35 -0.10 0.00 1.07 0.00 0.00 42.92 43.15 2daw s ASP 102 CO 0.47 -0.88 1.37 -0.09 1.18 0.00 0.00 175.17 177.22 2daw h ARG 103 N 0.66 -0.51 0.02 8.23 2.43 -1.96 0.14 114.38 123.39 2daw h ARG 103 Ca -0.38 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.85 2daw h ARG 103 Cb 1.28 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.89 2daw h ARG 103 CO 0.49 -0.34 -0.46 1.25 -1.51 0.00 0.00 179.97 179.39 2daw h HIS 104 N -0.53 -1.33 -0.57 2.20 2.76 -2.01 -2.14 115.15 113.54 2daw h HIS 104 Ca -0.01 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.30 2daw h HIS 104 Cb 0.52 0.58 -0.11 0.00 1.55 0.00 0.00 27.41 29.95 2daw h HIS 104 CO -0.37 -0.53 -0.32 1.96 -1.30 0.00 0.00 177.93 177.37 2daw h GLN 105 N -0.63 -0.16 -0.37 5.26 1.08 -1.92 -1.50 115.11 116.86 2daw h GLN 105 Ca 0.03 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2daw h GLN 105 Cb 0.69 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 28.07 2daw h GLN 105 CO -0.32 -0.11 -0.43 1.96 -0.95 0.00 0.00 178.83 178.98 2daw h GLN 106 N -0.16 -0.34 -0.93 1.46 4.20 -0.19 -0.36 115.11 118.79 2daw h GLN 106 Ca 0.23 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.22 2daw h GLN 106 Cb 0.54 0.08 -0.17 0.00 0.30 0.00 0.00 27.48 28.23 2daw h GLN 106 CO -0.66 -0.22 0.01 1.28 -0.67 0.00 0.00 178.83 178.57 2daw n LEU 107 N -5.42 -0.12 -0.06 1.46 4.77 -0.58 0.96 117.00 118.02 2daw n LEU 107 Ca -0.01 1.58 -0.10 0.00 -0.03 0.00 0.00 56.01 57.45 2daw n LEU 107 Cb 0.35 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2daw n LEU 107 CO 0.05 -1.60 0.90 -0.07 -1.33 0.00 0.00 177.39 175.34 2daw h LEU 108 N 0.00 0.29 0.68 2.23 3.38 -0.95 -1.73 115.31 119.21 2daw h LEU 108 Ca 0.56 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 2daw h LEU 108 Cb 1.14 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.82 2daw h LEU 108 CO -0.88 0.32 -0.33 0.25 0.09 0.00 0.00 178.44 177.89 2daw h LEU 109 N 0.24 -0.78 -0.07 1.67 5.85 0.10 -1.06 115.31 121.27 2daw h LEU 109 Ca 0.08 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2daw h LEU 109 Cb 0.10 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2daw h LEU 109 CO -0.01 -0.46 -0.14 0.78 -0.34 0.00 0.00 178.44 178.27 2daw h ASN 110 N -1.08 -0.47 -0.08 1.25 -0.26 -0.41 -0.18 115.58 114.34 2daw h ASN 110 Ca -0.09 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2daw h ASN 110 Cb 0.74 0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 38.15 2daw h ASN 110 CO 0.15 -0.11 -0.27 0.11 -1.06 0.00 0.00 177.43 176.25 2daw h LYS 111 N -0.13 -0.27 -1.00 0.81 6.56 -1.40 0.15 116.57 121.29 2daw h LYS 111 Ca 0.01 0.02 0.41 0.00 -1.06 0.00 0.00 60.65 60.04 2daw h LYS 111 Cb 0.16 0.06 -0.17 0.00 -0.57 0.00 0.00 32.23 31.71 2daw h LYS 111 CO -0.13 -0.18 0.55 0.41 -2.06 0.00 0.00 179.45 178.03 2daw n GLY 112 N -1.21 -0.74 0.10 3.86 0.00 -0.40 -0.44 105.19 106.37 2daw n GLY 112 Ca -0.03 0.79 -0.03 0.00 0.00 0.00 0.00 46.02 46.75 2daw n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2daw h LEU 113 N 0.00 -0.18 -0.98 0.99 5.85 0.52 -1.97 115.31 119.54 2daw h LEU 113 Ca 0.83 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.90 2daw h LEU 113 Cb 2.23 0.05 -0.16 0.00 0.37 0.00 0.00 40.66 43.14 2daw h LEU 113 CO -0.74 0.05 0.44 0.71 -0.34 0.00 0.00 178.44 178.56 2daw h THR 114 N -0.57 0.16 -0.31 1.05 1.35 0.32 0.72 112.91 115.64 2daw h THR 114 Ca -0.02 -0.05 -0.17 0.00 -0.55 0.00 0.00 66.41 65.62 2daw h THR 114 Cb 0.16 -0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.58 2daw h THR 114 CO 0.04 0.03 -0.46 -1.28 -0.25 0.00 0.00 175.52 173.60 2daw h SER 115 N 0.15 0.94 -0.73 5.36 0.87 -0.84 -1.87 113.55 117.44 2daw h SER 115 Ca 0.73 -0.51 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2daw h SER 115 Cb 1.74 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 63.40 2daw h SER 115 CO -0.71 1.27 0.47 0.22 -0.53 0.00 0.00 176.83 177.55 2daw h TYR 116 N 0.65 0.92 -0.10 2.24 3.20 0.12 -2.41 116.97 121.59 2daw h TYR 116 Ca 0.03 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2daw h TYR 116 Cb 1.06 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2daw h TYR 116 CO 0.07 0.59 -0.58 0.82 -1.64 0.00 0.00 178.16 177.42 2daw h ILE 117 N 0.99 1.36 0.00 1.81 1.08 -1.03 -3.01 117.51 118.71 2daw h ILE 117 Ca 0.27 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 2daw h ILE 117 Cb -0.10 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2daw h ILE 117 CO -0.06 0.57 0.39 1.23 -0.69 0.00 0.00 178.15 179.59 2daw h GLY 118 N 1.33 0.00 1.08 5.37 0.00 -0.80 0.86 103.07 110.91 2daw h GLY 118 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2daw h GLY 118 CO 0.09 0.00 -0.50 -0.91 0.00 0.00 0.00 176.54 175.23 2daw h THR 119 N 0.00 1.29 -2.15 4.70 1.35 -1.56 -3.46 112.91 113.08 2daw h THR 119 Ca 0.00 -1.70 -0.57 0.00 -0.55 0.00 0.00 66.41 63.59 2daw h THR 119 Cb 0.78 1.71 0.21 0.00 -1.73 0.00 0.00 68.15 69.12 2daw h THR 119 CO 0.00 0.55 -1.41 0.49 -0.25 0.00 0.00 175.52 174.90 2daw n PHE 120 N -4.09 -3.77 -3.97 4.73 3.01 0.29 -4.96 117.46 108.70 2daw n PHE 120 Ca -0.05 0.21 -0.25 0.00 1.01 0.00 0.00 57.45 58.36 2daw n PHE 120 Cb 0.60 -1.59 -0.03 0.00 -0.01 0.00 0.00 39.48 38.45 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 6.24 -0.50 4.37 1.01 -1.26 -5.04 116.67 120.41 2daw s ASP 121 Ca 0.50 0.12 -0.27 0.00 0.71 0.00 0.00 52.55 53.60 2daw s ASP 121 Cb -0.33 -1.85 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2daw s ASP 121 CO 0.73 0.04 1.80 -2.16 0.21 0.00 0.00 175.17 175.79 2daw s PRO 122 N -3.34 2.94 0.00 8.23 0.04 -1.26 -3.28 135.00 138.34 2daw s PRO 122 Ca 0.34 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2daw s PRO 122 Cb -0.11 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2daw s PRO 122 CO 0.28 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.39 2daw n GLY 123 N 5.55 3.42 3.91 0.56 0.00 -1.26 -4.74 105.19 112.62 2daw n GLY 123 Ca 0.21 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2daw n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2daw s GLU 124 N 0.00 3.33 0.75 1.61 -1.05 -1.20 -4.86 118.70 117.27 2daw s GLU 124 Ca 0.00 -0.60 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 2daw s GLU 124 Cb 0.00 -2.93 0.05 0.00 -0.44 0.00 0.00 34.13 30.81 2daw s GLU 124 CO 0.00 0.54 1.20 -0.51 0.95 0.00 0.00 175.26 177.44 2daw s LEU 125 N -2.96 3.26 0.00 1.83 1.43 -1.26 -4.75 118.68 116.23 2daw s LEU 125 Ca 0.34 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2daw s LEU 125 Cb -0.12 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.52 2daw s LEU 125 CO 0.27 -2.34 0.00 0.00 0.23 0.00 0.00 176.35 174.51 2daw h VAL 127 N 0.00 0.61 -0.15 0.00 3.04 -2.00 0.15 116.25 117.90 2daw h VAL 127 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 2daw h VAL 127 Cb 0.62 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 2daw h VAL 127 CO 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 177.57 176.40 2daw h ALA 129 N 1.60 0.11 -0.99 0.00 0.00 -1.31 -3.36 119.26 115.31 2daw h ALA 129 Ca 0.05 -0.93 0.28 0.00 0.00 0.00 0.00 54.91 54.30 2daw h ALA 129 Cb 0.43 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 18.41 2daw h ALA 129 CO 0.03 0.59 0.08 0.00 0.00 0.00 0.00 179.25 179.94 2daw h ALA 130 N -0.08 1.26 0.02 0.00 0.00 -1.33 0.75 119.26 119.88 2daw h ALA 130 Ca -0.23 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2daw h ALA 130 Cb 1.55 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 2daw h ALA 130 CO 0.03 -0.60 -0.02 0.82 0.00 0.00 0.00 179.25 179.47 2daw h ILE 131 N 0.01 0.00 -0.23 0.00 2.04 -1.69 -0.76 117.51 116.88 2daw h ILE 131 Ca 0.62 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.54 2daw h ILE 131 Cb 1.32 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2daw h ILE 131 CO -0.90 0.00 -0.38 -0.61 0.00 0.00 0.00 178.15 176.25 2daw h GLN 132 N -0.04 -0.38 -0.89 2.37 5.75 -1.45 -0.91 115.11 119.56 2daw h GLN 132 Ca -0.00 0.03 0.23 0.00 -0.15 0.00 0.00 58.65 58.75 2daw h GLN 132 Cb 0.04 0.09 -0.16 0.00 1.07 0.00 0.00 27.48 28.52 2daw h GLN 132 CO -0.00 -0.26 0.06 2.35 -2.65 0.00 0.00 178.83 178.33 2daw h TRP 133 N -0.40 0.02 0.69 3.99 7.01 -0.86 -1.53 115.95 124.87 2daw h TRP 133 Ca 0.11 0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 2daw h TRP 133 Cb 0.59 0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.79 2daw h TRP 133 CO -0.50 -0.32 -0.33 -0.07 -2.79 0.00 0.00 178.44 174.42 2daw h LEU 134 N 0.08 -0.78 -0.73 0.65 3.38 0.24 0.15 115.31 118.29 2daw h LEU 134 Ca 0.52 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.62 2daw h LEU 134 Cb 1.03 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 2daw h LEU 134 CO -0.78 -0.56 -0.32 0.00 0.09 0.00 0.00 178.44 176.87 2daw n GLN 135 N -4.48 -0.21 -0.18 1.13 6.02 -0.62 0.15 117.38 119.20 2daw n GLN 135 Ca -0.11 1.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.89 2daw n GLN 135 Cb 0.36 -1.66 0.01 0.00 1.02 0.00 0.00 30.24 29.97 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 0.99 -1.26 1.08 3.58 -1.39 -3.12 116.42 116.30 2daw h ASP 136 Ca 0.22 -0.35 -0.57 0.00 0.42 0.00 0.00 57.03 56.76 2daw h ASP 136 Cb 0.40 -0.27 -0.20 0.00 1.72 0.00 0.00 39.33 40.98 2daw h ASP 136 CO -0.72 1.11 0.59 0.59 -2.88 0.00 0.00 179.24 177.93 2daw n ASN 137 N -4.19 6.80 0.03 2.28 3.02 0.41 -4.26 115.26 119.35 2daw n ASN 137 Ca 0.01 -3.39 0.00 0.00 -0.03 0.00 0.00 54.58 51.17 2daw n ASN 137 Cb 0.39 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 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 0.39 0.38 -0.35 6.41 2.88 -0.13 -4.69 113.62 118.51 2daw n SER 138 Ca 0.49 0.09 0.01 0.00 -1.33 0.00 0.00 58.87 58.13 2daw n SER 138 Cb 0.47 -0.09 0.15 0.00 -0.75 0.00 0.00 64.21 64.00 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 1.31 -0.06 -1.46 0.00 -1.74 -0.34 119.26 116.96 2daw h ALA 139 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2daw h ALA 139 Cb 0.48 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2daw h ALA 139 CO 0.00 0.43 0.06 0.77 0.00 0.00 0.00 179.25 180.51 2daw h SER 140 N 1.15 0.00 0.14 0.00 0.02 -1.87 0.18 113.55 113.17 2daw h SER 140 Ca 0.40 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.07 2daw h SER 140 Cb 0.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.66 2daw h SER 140 CO -0.16 0.00 -1.39 1.88 -1.14 0.00 0.00 176.83 176.02 2daw h TYR 141 N 0.00 0.55 -0.16 3.45 -1.99 -1.37 -3.37 116.97 114.08 2daw h TYR 141 Ca 0.03 -0.40 -0.03 0.00 2.00 0.00 0.00 58.73 60.32 2daw h TYR 141 Cb 0.15 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 2daw h TYR 141 CO 0.00 1.54 -0.02 0.74 -0.00 0.00 0.00 178.16 180.43 2daw h PHE 142 N -0.20 0.33 0.00 4.88 -1.00 -0.69 -3.43 116.94 116.83 2daw h PHE 142 Ca -0.28 -0.06 -0.50 0.00 2.81 0.00 0.00 57.97 59.93 2daw h PHE 142 Cb 1.84 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 41.27 2daw h PHE 142 CO 0.13 0.54 1.17 1.28 -1.61 0.00 0.00 178.31 179.83 2daw n LEU 143 N -4.71 0.42 -4.39 1.54 4.77 0.58 -4.88 117.00 110.33 2daw n LEU 143 Ca -0.05 0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 56.04 2daw n LEU 143 Cb 0.24 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 2daw n LEU 143 CO 0.37 -0.58 -0.50 0.21 -1.33 0.00 0.00 177.39 175.56 2daw s ASN 144 N 5.66 3.13 -0.92 -1.43 3.84 -1.26 -5.01 114.94 118.95 2daw s ASN 144 Ca 0.98 -0.89 -0.03 0.00 0.21 0.00 0.00 52.86 53.13 2daw s ASN 144 Cb -1.08 -0.22 0.21 0.00 -0.55 0.00 0.00 41.25 39.61 2daw s ASN 144 CO 0.45 0.04 2.26 -1.14 -2.79 0.00 0.00 177.10 175.92 2daw n ARG 145 N 0.13 3.85 -3.70 0.43 0.00 -1.26 -4.91 116.66 111.20 2daw n ARG 145 Ca -0.12 -3.51 -0.11 0.00 -0.00 0.00 0.00 57.85 54.11 2daw n ARG 145 Cb 0.57 -2.38 -0.06 0.00 0.00 0.00 0.00 32.46 30.58 2daw n ARG 145 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2daw s LYS 146 N -2.78 0.93 -0.07 -0.14 3.01 -1.26 -5.17 119.74 114.25 2daw s LYS 146 Ca 0.51 -0.56 -0.06 0.00 -1.01 0.00 0.00 55.97 54.86 2daw s LYS 146 Cb 0.29 0.41 0.02 0.00 -1.01 0.00 0.00 37.83 37.54 2daw s LYS 146 CO -0.21 -0.33 0.18 -1.17 0.51 0.00 0.00 175.35 174.33 2daw s LEU 147 N -2.34 1.22 1.16 3.17 2.96 -1.26 -5.16 118.68 118.42 2daw s LEU 147 Ca -0.02 0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 2daw s LEU 147 Cb 0.01 0.59 0.27 0.00 0.50 0.00 0.00 46.19 47.55 2daw s LEU 147 CO -0.06 -0.08 1.13 0.68 -1.32 0.00 0.00 176.35 176.70 2daw s VAL 148 N 0.27 1.68 -0.27 1.68 -7.23 -1.26 -5.09 120.40 110.17 2daw s VAL 148 Ca -0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.93 2daw s VAL 148 Cb -0.03 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.46 2daw s VAL 148 CO -0.01 0.00 0.78 -0.44 -0.31 0.00 0.00 175.10 175.12 2daw s SER 149 N -3.93 -0.73 0.05 4.85 0.01 -1.26 -5.17 113.70 107.51 2daw s SER 149 Ca 0.70 1.34 0.05 0.00 1.31 0.00 0.00 55.95 59.36 2daw s SER 149 Cb -0.10 1.35 -0.02 0.00 0.21 0.00 0.00 66.02 67.45 2daw s SER 149 CO 0.56 -0.23 -0.15 -0.83 0.41 0.00 0.00 173.24 173.00 2daw s GLY 150 N 0.64 0.86 1.22 3.44 0.00 -1.26 -5.15 107.32 107.06 2daw s GLY 150 Ca -0.02 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.60 2daw s GLY 150 CO -0.05 -0.88 1.11 2.56 0.00 0.00 0.00 173.10 175.84 2daw s PRO 151 N -1.29 -1.34 0.13 2.90 0.04 -1.26 -5.10 135.00 129.09 2daw s PRO 151 Ca 0.02 -0.11 -0.08 0.00 0.04 0.00 0.00 61.00 60.87 2daw s PRO 151 Cb -0.08 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 2daw s PRO 151 CO 0.02 -3.78 0.22 0.45 0.04 0.00 0.00 177.00 173.94 2daw s SER 152 N -3.93 0.11 0.64 6.66 0.15 -1.26 -5.18 113.70 110.90 2daw s SER 152 Ca 0.71 -0.81 -0.01 0.00 0.70 0.00 0.00 55.95 56.54 2daw s SER 152 Cb -0.09 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 2daw s SER 152 CO 0.56 -0.80 0.90 -0.44 1.20 0.00 0.00 173.24 174.65 2daw s SER 153 N -2.93 4.88 0.00 5.45 0.01 -1.26 -5.38 113.70 114.47 2daw s SER 153 Ca 0.12 -0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.42 2daw s SER 153 Cb 0.04 -0.68 0.27 0.00 0.21 0.00 0.00 66.02 65.87 2daw s SER 153 CO -0.05 -1.47 0.74 0.61 0.41 0.00 0.00 173.24 173.49