#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 0.69 0.02 1.61 1.04 -1.26 -5.16 113.70 110.64 2daw s SER 2 Ca 0.00 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.27 2daw s SER 2 Cb 0.00 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 2daw s SER 2 CO 0.00 0.03 -0.04 -0.44 0.98 0.00 0.00 173.24 173.77 2daw s SER 3 N -0.34 0.40 0.00 7.02 0.01 -1.26 -5.12 113.70 114.41 2daw s SER 3 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2daw s SER 3 Cb -0.03 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2daw s SER 3 CO -0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2daw n GLY 4 N 2.03 0.99 3.41 3.44 0.00 -1.26 -5.08 105.19 108.72 2daw n GLY 4 Ca -0.20 -2.30 -0.10 0.00 0.00 0.00 0.00 46.02 43.42 2daw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daw s SER 5 N 0.00 -0.13 0.44 1.61 0.01 -1.26 -5.05 113.70 109.31 2daw s SER 5 Ca 0.00 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 56.73 2daw s SER 5 Cb 0.00 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 2daw s SER 5 CO 0.00 -0.95 0.36 -0.55 0.41 0.00 0.00 173.24 172.51 2daw s SER 6 N -2.89 4.89 0.00 2.44 0.15 -1.26 -4.73 113.70 112.29 2daw s SER 6 Ca 0.11 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2daw s SER 6 Cb 0.01 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 2daw s SER 6 CO -0.04 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.31 2daw n GLY 7 N -1.54 0.61 0.13 9.45 0.00 -1.26 -4.56 105.19 108.02 2daw n GLY 7 Ca 0.02 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.10 2daw n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2daw h MET 8 N 0.00 0.34 -6.86 1.61 0.00 -2.09 -3.46 114.93 104.47 2daw h MET 8 Ca 0.00 -0.59 -0.47 0.00 0.00 0.00 0.00 59.70 58.64 2daw h MET 8 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 31.60 31.79 2daw h MET 8 CO 0.00 1.24 0.20 -1.12 0.00 0.00 0.00 176.91 177.23 2daw s SER 9 N -7.17 6.85 0.31 1.22 0.01 -1.26 -5.08 113.70 108.57 2daw s SER 9 Ca -0.13 1.45 0.06 0.00 1.31 0.00 0.00 55.95 58.64 2daw s SER 9 Cb 0.06 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2daw s SER 9 CO 0.86 -0.27 0.26 0.00 0.41 0.00 0.00 173.24 174.50 2daw s ALA 10 N -2.06 1.72 -0.33 1.44 0.00 -1.26 -4.50 121.76 116.77 2daw s ALA 10 Ca 0.57 -2.00 -0.28 0.00 0.00 0.00 0.00 51.96 50.25 2daw s ALA 10 Cb -0.10 1.46 0.01 0.00 0.00 0.00 0.00 23.12 24.50 2daw s ALA 10 CO 0.16 -0.66 1.01 -1.12 0.00 0.00 0.00 175.76 175.15 2daw s SER 11 N -3.33 6.84 0.43 0.00 0.01 -1.26 -4.88 113.70 111.50 2daw s SER 11 Ca 0.40 0.89 0.39 0.00 1.31 0.00 0.00 55.95 58.94 2daw s SER 11 Cb 0.03 -2.51 1.36 0.00 0.21 0.00 0.00 66.02 65.11 2daw s SER 11 CO 0.25 -0.85 1.23 0.52 0.41 0.00 0.00 173.24 174.81 2daw n VAL 12 N 5.87 -0.02 -0.35 3.43 0.31 -1.26 -0.80 118.33 125.50 2daw n VAL 12 Ca 0.10 1.21 -0.04 0.00 -0.01 0.00 0.00 64.34 65.60 2daw n VAL 12 Cb 0.47 -2.01 -0.00 0.00 -0.91 0.00 0.00 33.84 31.40 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 -3.60 -0.27 0.04 5.55 5.02 -1.26 -0.70 118.16 122.94 2daw n LYS 13 Ca 0.35 1.37 -0.06 0.00 -2.02 0.00 0.00 58.31 57.96 2daw n LYS 13 Cb 1.56 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.51 2daw n LYS 13 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2daw h GLU 14 N 0.00 -0.25 -0.71 1.97 4.39 -1.37 0.21 114.58 118.82 2daw h GLU 14 Ca 0.26 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.06 2daw h GLU 14 Cb 0.48 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.08 2daw h GLU 14 CO -0.87 -0.17 -0.53 0.66 -1.16 0.00 0.00 179.01 176.94 2daw h SER 15 N -0.26 -1.86 -0.79 1.42 4.64 -1.39 0.64 113.55 115.95 2daw h SER 15 Ca -0.00 0.28 0.16 0.00 -0.47 0.00 0.00 61.79 61.76 2daw h SER 15 Cb 0.26 0.82 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 2daw h SER 15 CO -0.09 -0.32 0.53 -0.07 -0.87 0.00 0.00 176.83 176.01 2daw h LEU 16 N -0.18 0.40 0.29 5.97 3.38 -0.74 -1.50 115.31 122.93 2daw h LEU 16 Ca 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2daw h LEU 16 Cb 0.52 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2daw h LEU 16 CO -0.77 0.20 -0.14 -0.61 0.09 0.00 0.00 178.44 177.20 2daw h GLN 17 N 0.42 -0.38 0.00 1.13 -0.00 0.35 -2.46 115.11 114.17 2daw h GLN 17 Ca 0.39 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.07 2daw h GLN 17 Cb 0.91 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.48 2daw h GLN 17 CO -0.13 -0.12 0.00 -0.07 0.00 0.00 0.00 178.83 178.51 2daw h LEU 18 N -0.61 0.00 0.00 -2.39 3.38 -0.31 0.11 115.31 115.49 2daw h LEU 18 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2daw h LEU 18 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2daw h LEU 18 CO 0.07 0.00 -0.42 1.56 0.09 0.00 0.00 178.44 179.74 2daw h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -0.85 -3.06 115.11 116.53 2daw h GLN 19 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2daw h GLN 19 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2daw h GLN 19 CO 0.00 0.00 -1.15 -0.07 -0.67 0.00 0.00 178.83 176.94 2daw h LEU 20 N 0.00 0.00 -0.96 1.46 3.38 -0.65 -3.35 115.31 115.19 2daw h LEU 20 Ca 0.00 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2daw h LEU 20 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2daw h LEU 20 CO 0.00 1.41 0.48 0.17 0.09 0.00 0.00 178.44 180.59 2daw h LEU 21 N -1.00 1.08 -1.39 1.67 8.10 -1.65 -2.21 115.31 119.91 2daw h LEU 21 Ca -0.31 -0.09 0.13 0.00 0.11 0.00 0.00 57.88 57.72 2daw h LEU 21 Cb 1.22 -0.27 -0.06 0.00 -0.44 0.00 0.00 40.66 41.11 2daw h LEU 21 CO -0.19 0.87 0.53 1.05 -4.11 0.00 0.00 178.44 176.59 2daw h GLU 22 N 1.21 0.61 -0.35 0.17 4.11 -1.72 -1.85 114.58 116.76 2daw h GLU 22 Ca 0.31 -0.04 0.07 0.00 0.07 0.00 0.00 59.36 59.77 2daw h GLU 22 Cb 0.02 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 2daw h GLU 22 CO -0.05 0.40 -0.10 0.52 0.07 0.00 0.00 179.01 179.85 2daw h MET 23 N 0.62 -0.02 -0.90 1.06 2.86 -1.52 -0.15 114.93 116.88 2daw h MET 23 Ca 0.40 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.19 2daw h MET 23 Cb 0.66 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.25 2daw h MET 23 CO -0.16 -0.02 0.58 0.93 1.06 0.00 0.00 176.91 179.30 2daw h GLU 24 N -0.02 0.66 -0.32 1.72 4.39 -1.43 0.31 114.58 119.89 2daw h GLU 24 Ca 0.17 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.65 2daw h GLU 24 Cb 0.28 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2daw h GLU 24 CO -0.37 0.44 -0.50 0.52 -1.16 0.00 0.00 179.01 177.94 2daw h MET 25 N 0.68 0.88 -0.19 2.33 2.86 -1.07 -2.65 114.93 117.77 2daw h MET 25 Ca 0.46 -0.53 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 2daw h MET 25 Cb 0.76 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2daw h MET 25 CO -0.21 1.17 -0.52 -0.07 1.06 0.00 0.00 176.91 178.34 2daw h LEU 26 N 0.69 0.58 -0.84 1.22 3.38 0.44 -2.94 115.31 117.84 2daw h LEU 26 Ca 0.03 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2daw h LEU 26 Cb 1.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2daw h LEU 26 CO 0.11 0.99 0.10 -0.26 0.09 0.00 0.00 178.44 179.47 2daw h PHE 27 N 0.41 1.01 -0.58 1.13 0.04 -0.43 -2.36 116.94 116.16 2daw h PHE 27 Ca 0.01 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 2daw h PHE 27 Cb 1.04 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 2daw h PHE 27 CO 0.04 0.86 0.04 1.03 -0.60 0.00 0.00 178.31 179.69 2daw h SER 28 N 0.91 0.94 0.66 2.17 0.87 -1.39 -2.42 113.55 115.28 2daw h SER 28 Ca 0.19 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2daw h SER 28 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2daw h SER 28 CO 0.01 0.97 -0.25 0.24 -0.53 0.00 0.00 176.83 177.27 2daw h MET 29 N 0.91 0.00 -3.18 2.24 2.86 -1.32 -3.34 114.93 113.10 2daw h MET 29 Ca 0.17 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.17 2daw h MET 29 Cb 0.47 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.73 2daw h MET 29 CO 0.02 0.25 -0.45 -0.06 1.06 0.00 0.00 176.91 177.73 2daw s PHE 30 N -3.88 3.62 0.30 -0.22 0.08 -0.91 -4.91 117.98 112.06 2daw s PHE 30 Ca -0.01 -3.23 0.08 0.00 0.12 0.00 0.00 56.93 53.89 2daw s PHE 30 Cb 0.12 -2.87 0.46 0.00 -0.57 0.00 0.00 43.02 40.16 2daw s PHE 30 CO 0.64 -0.62 1.69 -1.00 -0.10 0.00 0.00 175.22 175.83 2daw h PRO 31 N 5.69 0.14 -5.63 0.24 0.13 -1.69 -3.41 132.00 127.47 2daw h PRO 31 Ca 0.12 -0.07 -0.25 0.00 -0.87 0.00 0.00 66.00 64.93 2daw h PRO 31 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 2daw h PRO 31 CO 0.75 0.58 0.68 -0.80 -0.23 0.00 0.00 178.00 178.99 2daw s ASN 32 N -6.89 4.70 -0.94 1.44 0.02 -1.26 -4.83 114.94 107.19 2daw s ASN 32 Ca -0.03 -0.15 -0.14 0.00 -1.02 0.00 0.00 52.86 51.52 2daw s ASN 32 Cb 0.13 -2.55 -0.28 0.00 0.02 0.00 0.00 41.25 38.57 2daw s ASN 32 CO 0.76 -3.06 2.24 0.00 0.02 0.00 0.00 177.10 177.06 2daw n GLN 33 N 8.91 0.16 0.00 -0.60 3.00 -1.26 -2.01 117.38 125.57 2daw n GLN 33 Ca 0.39 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2daw n GLN 33 Cb 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.94 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 5.89 0.86 0.36 1.08 0.00 -1.26 -5.01 105.19 107.10 2daw n GLY 34 Ca 0.62 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 -0.30 -2.79 1.61 -0.58 -0.85 -3.54 120.64 114.19 2daw n GLU 35 Ca 0.00 1.38 -0.43 0.00 -0.42 0.00 0.00 57.16 57.69 2daw n GLU 35 Cb 0.00 -2.03 -0.04 0.00 -0.57 0.00 0.00 31.44 28.80 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 -5.67 4.27 -0.41 2.62 1.01 -1.26 -3.52 120.40 117.44 2daw s VAL 36 Ca -0.12 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 2daw s VAL 36 Cb 0.14 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 31.91 2daw s VAL 36 CO 0.60 -1.30 0.41 -0.54 0.00 0.00 0.00 175.10 174.28 2daw s LYS 37 N 4.27 3.16 -0.26 2.72 1.02 -1.01 -4.97 119.74 124.66 2daw s LYS 37 Ca 0.30 -0.73 -0.20 0.00 0.02 0.00 0.00 55.97 55.36 2daw s LYS 37 Cb -0.13 -3.94 -0.02 0.00 -0.52 0.00 0.00 37.83 33.22 2daw s LYS 37 CO 0.17 -0.79 0.63 -0.51 -0.92 0.00 0.00 175.35 173.93 2daw s LEU 38 N 2.08 4.07 0.47 3.17 1.43 -1.26 -2.57 118.68 126.06 2daw s LEU 38 Ca 0.11 0.69 0.23 0.00 -1.03 0.00 0.00 54.13 54.14 2daw s LEU 38 Cb -0.17 -2.85 1.25 0.00 0.03 0.00 0.00 46.19 44.44 2daw s LEU 38 CO 0.13 -0.38 1.88 -0.33 0.23 0.00 0.00 176.35 177.88 2daw h GLU 39 N 7.91 0.22 -2.55 1.70 5.08 -1.97 -3.40 114.58 121.57 2daw h GLU 39 Ca -0.27 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2daw h GLU 39 Cb 1.12 -0.05 -0.26 0.00 0.50 0.00 0.00 28.75 30.06 2daw h GLU 39 CO 0.77 0.15 -0.25 0.34 -1.00 0.00 0.00 179.01 179.02 2daw s ASP 40 N -5.67 -0.58 0.12 1.42 2.15 -1.26 -5.02 116.67 107.83 2daw s ASP 40 Ca -0.07 0.98 0.19 0.00 0.43 0.00 0.00 52.55 54.09 2daw s ASP 40 Cb 0.22 0.86 0.80 0.00 -0.30 0.00 0.00 42.92 44.51 2daw s ASP 40 CO 0.78 -0.20 1.60 1.33 -0.17 0.00 0.00 175.17 178.50 2daw n VAL 41 N 4.25 0.88 -0.25 1.11 0.24 -1.26 -1.93 118.33 121.36 2daw n VAL 41 Ca -0.23 0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.39 2daw n VAL 41 Cb 0.56 -1.04 0.31 0.00 -1.47 0.00 0.00 33.84 32.20 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 -1.85 3.86 -0.03 -1.34 3.02 -1.26 -4.32 115.26 113.35 2daw n ASN 42 Ca 0.03 -2.08 -0.06 0.00 -0.03 0.00 0.00 54.58 52.43 2daw n ASN 42 Cb 0.21 -0.48 0.12 0.00 -0.61 0.00 0.00 39.78 39.02 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 4.23 0.93 0.18 5.41 0.00 -1.71 -1.78 119.26 126.51 2daw h ALA 43 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 2daw h ALA 43 Cb 1.02 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.70 2daw h ALA 43 CO 0.04 0.62 -1.11 -0.07 0.00 0.00 0.00 179.25 178.73 2daw h LEU 44 N 0.53 0.59 0.49 0.00 3.38 -1.81 -3.32 115.31 115.16 2daw h LEU 44 Ca 0.07 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 2daw h LEU 44 Cb 0.78 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2daw h LEU 44 CO 0.06 1.53 -0.28 0.74 0.09 0.00 0.00 178.44 180.58 2daw h THR 45 N -0.19 0.42 -1.41 0.22 2.02 -1.79 -1.84 112.91 110.34 2daw h THR 45 Ca -0.20 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.39 2daw h THR 45 Cb 1.83 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 2daw h THR 45 CO 0.18 0.00 1.01 0.78 0.37 0.00 0.00 175.52 177.86 2daw h ASN 46 N -0.72 0.02 0.10 4.18 2.35 -1.48 0.44 115.58 120.46 2daw h ASN 46 Ca -0.06 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 2daw h ASN 46 Cb 0.59 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.98 2daw h ASN 46 CO 0.07 -0.00 -0.86 0.40 -1.65 0.00 0.00 177.43 175.39 2daw h ILE 47 N 0.01 1.43 -0.99 2.81 2.04 -1.47 -3.28 117.51 118.06 2daw h ILE 47 Ca 0.68 -2.38 0.19 0.00 1.00 0.00 0.00 64.86 64.36 2daw h ILE 47 Cb 2.68 2.90 -0.10 0.00 -0.74 0.00 0.00 36.82 41.56 2daw h ILE 47 CO -0.03 0.69 0.61 0.11 0.00 0.00 0.00 178.15 179.54 2daw h LYS 48 N -0.13 0.66 0.00 2.37 1.57 0.64 0.52 116.57 122.21 2daw h LYS 48 Ca -0.13 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2daw h LYS 48 Cb 1.61 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2daw h LYS 48 CO 0.16 0.44 -0.18 0.00 -0.57 0.00 0.00 179.45 179.30 2daw h ARG 49 N 0.68 0.00 -0.02 3.15 3.08 -1.52 -2.70 114.38 117.04 2daw h ARG 49 Ca 0.56 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.39 2daw h ARG 49 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 2daw h ARG 49 CO -0.33 0.18 -0.88 -0.92 -1.07 0.00 0.00 179.97 176.95 2daw h TYR 50 N 0.00 0.58 -0.52 3.04 5.03 -0.03 -2.53 116.97 122.54 2daw h TYR 50 Ca -0.00 -0.30 -0.01 0.00 2.58 0.00 0.00 58.73 61.00 2daw h TYR 50 Cb 0.52 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 2daw h TYR 50 CO 0.00 1.10 0.29 -0.07 -1.32 0.00 0.00 178.16 178.16 2daw h LEU 51 N 0.24 0.65 -1.50 2.82 -0.00 -1.10 -2.16 115.31 114.26 2daw h LEU 51 Ca -0.06 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.68 2daw h LEU 51 Cb 1.50 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.99 2daw h LEU 51 CO 0.15 0.55 -0.25 1.05 -0.00 0.00 0.00 178.44 179.94 2daw h GLU 52 N 0.70 0.00 0.00 1.13 4.11 -1.59 -3.47 114.58 115.47 2daw h GLU 52 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2daw h GLU 52 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2daw h GLU 52 CO -0.03 0.25 0.00 0.41 0.07 0.00 0.00 179.01 179.71 2daw n GLY 53 N -0.53 1.21 1.00 1.06 0.00 -0.81 -4.98 105.19 102.14 2daw n GLY 53 Ca -0.02 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2daw n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2daw n THR 54 N -2.12 0.35 -3.64 2.61 5.66 -0.96 -4.84 114.28 111.33 2daw n THR 54 Ca 0.00 -0.67 -0.24 0.00 -3.05 0.00 0.00 64.05 60.09 2daw n THR 54 Cb 0.10 1.12 -0.17 0.00 -1.55 0.00 0.00 70.33 69.83 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 -1.54 0.06 -0.14 1.09 3.52 -1.22 -4.99 118.95 115.74 2daw s ARG 55 Ca 0.32 0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 55.75 2daw s ARG 55 Cb 0.20 -1.40 -0.21 0.00 -1.56 0.00 0.00 34.95 31.98 2daw s ARG 55 CO 0.29 -0.55 0.58 0.93 -0.81 0.00 0.00 175.30 175.73 2daw h GLU 56 N 8.42 0.00 -6.14 5.12 5.08 -1.93 -3.43 114.58 121.69 2daw h GLU 56 Ca -0.14 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.51 2daw h GLU 56 Cb 1.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.40 2daw h GLU 56 CO 0.25 0.81 1.03 0.00 -1.00 0.00 0.00 179.01 180.09 2daw n ALA 57 N -2.71 0.21 -1.59 3.43 0.00 -1.26 -4.77 120.51 113.81 2daw n ALA 57 Ca -0.10 0.30 -0.54 0.00 0.00 0.00 0.00 53.44 53.10 2daw n ALA 57 Cb 0.40 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 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 6.35 2.41 -4.75 0.00 -0.00 -1.26 -4.92 117.00 114.83 2daw n LEU 58 Ca 0.29 0.80 -0.31 0.00 -0.00 0.00 0.00 56.01 56.80 2daw n LEU 58 Cb 0.17 -1.21 0.11 0.00 -0.00 0.00 0.00 43.42 42.49 2daw n LEU 58 CO 0.79 -0.48 0.69 -2.16 -0.00 0.00 0.00 177.39 176.23 2daw s PRO 59 N 4.71 1.87 -0.17 1.96 0.04 -1.26 -4.96 135.00 137.19 2daw s PRO 59 Ca 1.02 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 2daw s PRO 59 Cb -0.95 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2daw s PRO 59 CO 0.58 -1.88 1.58 -1.25 0.04 0.00 0.00 177.00 176.06 2daw s PRO 60 N -4.92 3.95 1.14 0.56 0.04 -1.26 -5.00 135.00 129.52 2daw s PRO 60 Ca 0.62 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.28 2daw s PRO 60 Cb -0.17 -3.99 0.21 0.00 0.04 0.00 0.00 34.50 30.59 2daw s PRO 60 CO 0.56 -1.10 0.42 0.36 0.04 0.00 0.00 177.00 177.29 2daw n LYS 61 N 7.38 -2.77 -3.11 4.56 2.85 -1.26 -4.81 118.16 121.00 2daw n LYS 61 Ca 0.18 -0.81 -0.45 0.00 -1.05 0.00 0.00 58.31 56.18 2daw n LYS 61 Cb 0.45 -1.65 -0.04 0.00 -0.65 0.00 0.00 35.03 33.13 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 -2.13 4.86 -0.14 0.58 1.01 -1.26 -4.94 121.20 119.18 2daw s ILE 62 Ca 0.48 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2daw s ILE 62 Cb -0.09 -4.51 0.01 0.00 0.01 0.00 0.00 42.46 37.88 2daw s ILE 62 CO 0.46 -1.15 -0.22 -0.70 0.00 0.00 0.00 174.94 173.34 2daw s GLU 63 N 2.54 2.99 0.37 2.79 2.12 -1.26 -3.32 118.70 124.92 2daw s GLU 63 Ca 0.13 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 2daw s GLU 63 Cb -0.22 -2.44 0.01 0.00 0.26 0.00 0.00 34.13 31.74 2daw s GLU 63 CO 0.04 -0.04 0.52 -0.59 -0.54 0.00 0.00 175.26 174.65 2daw s PHE 64 N 0.88 1.05 -0.14 5.30 -0.71 -0.80 -3.69 117.98 119.88 2daw s PHE 64 Ca -0.05 -1.31 0.02 0.00 -1.04 0.00 0.00 56.93 54.55 2daw s PHE 64 Cb -0.15 0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 2daw s PHE 64 CO -0.03 -1.22 -0.20 0.08 -1.34 0.00 0.00 175.22 172.50 2daw s VAL 65 N -2.80 1.95 -0.18 -2.49 1.01 -1.06 -0.82 120.40 116.00 2daw s VAL 65 Ca 0.30 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2daw s VAL 65 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2daw s VAL 65 CO 0.21 0.53 0.02 -0.63 0.00 0.00 0.00 175.10 175.23 2daw s ILE 66 N 0.91 4.30 -0.02 2.22 1.01 0.19 -2.41 121.20 127.40 2daw s ILE 66 Ca -0.05 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 2daw s ILE 66 Cb -0.15 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2daw s ILE 66 CO -0.03 0.46 0.63 -0.89 0.00 0.00 0.00 174.94 175.10 2daw s THR 67 N 0.58 4.94 -0.43 2.92 2.01 -1.23 -0.96 115.64 123.46 2daw s THR 67 Ca 0.00 1.31 -0.15 0.00 0.31 0.00 0.00 61.69 63.16 2daw s THR 67 Cb -0.14 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.45 2daw s THR 67 CO 0.02 0.37 0.34 -0.76 -0.69 0.00 0.00 174.62 173.90 2daw s LEU 68 N 0.10 5.28 -1.28 4.42 2.01 -0.87 -4.97 118.68 123.38 2daw s LEU 68 Ca 0.33 -1.04 -0.15 0.00 0.01 0.00 0.00 54.13 53.28 2daw s LEU 68 Cb -0.18 -2.18 0.12 0.00 0.01 0.00 0.00 46.19 43.96 2daw s LEU 68 CO 0.18 -0.53 1.68 1.67 1.01 0.00 0.00 176.35 180.35 2daw n GLN 69 N 5.21 3.29 -1.68 1.70 0.00 -1.26 -3.26 117.38 121.38 2daw n GLN 69 Ca -0.11 -3.48 -0.45 0.00 -0.00 0.00 0.00 57.00 52.95 2daw n GLN 69 Cb 0.46 -3.22 -0.04 0.00 0.00 0.00 0.00 30.24 27.44 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 5.17 0.48 0.12 1.69 2.08 -1.17 -4.89 119.36 122.84 2daw n ILE 70 Ca 0.43 -0.09 -0.13 0.00 0.56 0.00 0.00 62.75 63.52 2daw n ILE 70 Cb 0.43 -1.98 -0.08 0.00 -0.75 0.00 0.00 39.64 37.26 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 8.86 -0.22 -2.28 0.38 5.08 -1.92 -3.27 114.58 121.21 2daw h GLU 71 Ca -0.48 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2daw h GLU 71 Cb 1.25 0.05 -0.24 0.00 0.50 0.00 0.00 28.75 30.31 2daw h GLU 71 CO 0.94 -0.12 -0.20 -2.00 -1.00 0.00 0.00 179.01 176.62 2daw s GLU 72 N -6.04 0.49 0.57 2.33 2.12 -1.26 -3.50 118.70 113.41 2daw s GLU 72 Ca -0.14 1.16 -0.18 0.00 0.36 0.00 0.00 54.97 56.16 2daw s GLU 72 Cb 0.05 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 2daw s GLU 72 CO 0.65 -0.20 1.12 -1.25 -0.54 0.00 0.00 175.26 175.04 2daw s PRO 73 N 2.27 3.21 -0.71 4.30 0.04 -1.26 -4.67 135.00 138.18 2daw s PRO 73 Ca -0.06 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 2daw s PRO 73 Cb -0.10 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2daw s PRO 73 CO -0.16 -0.95 1.76 0.21 0.04 0.00 0.00 177.00 177.90 2daw s LYS 74 N -3.49 2.75 0.25 4.56 2.20 -1.23 -4.66 119.74 120.12 2daw s LYS 74 Ca 0.71 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 2daw s LYS 74 Cb -0.23 -4.55 -0.04 0.00 -1.51 0.00 0.00 37.83 31.51 2daw s LYS 74 CO 0.31 -2.74 0.17 0.14 -0.36 0.00 0.00 175.35 172.86 2daw s VAL 75 N 8.52 0.07 -0.07 4.02 -7.23 -1.23 -5.03 120.40 119.46 2daw s VAL 75 Ca 0.61 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 2daw s VAL 75 Cb -0.10 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2daw s VAL 75 CO 0.14 0.00 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.94 2daw s LYS 76 N -3.93 2.60 -0.26 4.82 2.20 -1.26 -3.04 119.74 120.86 2daw s LYS 76 Ca 0.39 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2daw s LYS 76 Cb 0.06 -2.13 0.08 0.00 -1.51 0.00 0.00 37.83 34.32 2daw s LYS 76 CO 0.17 0.32 0.06 0.42 -0.36 0.00 0.00 175.35 175.95 2daw s ILE 77 N -0.02 0.77 -0.29 5.43 1.01 -1.20 -4.72 121.20 122.18 2daw s ILE 77 Ca -0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 60.65 59.24 2daw s ILE 77 Cb -0.15 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2daw s ILE 77 CO 0.05 -0.45 1.50 -1.81 0.00 0.00 0.00 174.94 174.23 2daw s ASP 78 N 1.70 6.41 -0.22 3.58 1.11 -1.12 -2.05 116.67 126.08 2daw s ASP 78 Ca 0.04 1.31 -0.07 0.00 0.18 0.00 0.00 52.55 54.01 2daw s ASP 78 Cb -0.17 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 2daw s ASP 78 CO -0.17 -1.28 0.06 -0.22 1.18 0.00 0.00 175.17 174.73 2daw s LEU 79 N 5.17 3.58 -0.56 1.23 2.96 -0.13 -1.21 118.68 129.71 2daw s LEU 79 Ca 0.66 -0.09 -0.17 0.00 -0.22 0.00 0.00 54.13 54.31 2daw s LEU 79 Cb -0.20 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.68 2daw s LEU 79 CO 0.28 0.06 0.58 -1.10 -1.32 0.00 0.00 176.35 174.86 2daw s GLN 80 N 1.06 3.01 -0.14 1.98 -0.21 0.76 0.57 119.66 126.70 2daw s GLN 80 Ca 0.04 -1.54 -0.19 0.00 0.02 0.00 0.00 55.36 53.68 2daw s GLN 80 Cb -0.14 -4.29 -0.04 0.00 1.00 0.00 0.00 33.01 29.55 2daw s GLN 80 CO 0.03 -1.42 0.54 0.54 -2.12 0.00 0.00 175.29 172.86 2daw s VAL 81 N 2.05 5.13 -0.36 1.09 0.11 -0.00 -2.21 120.40 126.21 2daw s VAL 81 Ca 0.07 1.05 0.01 0.00 -2.93 0.00 0.00 61.98 60.18 2daw s VAL 81 Cb -0.28 -3.87 0.11 0.00 -1.53 0.00 0.00 36.38 30.81 2daw s VAL 81 CO 0.04 0.25 0.13 -0.89 -3.33 0.00 0.00 175.10 171.31 2daw s THR 82 N 1.08 1.26 -0.29 5.04 2.01 0.14 -1.91 115.64 122.98 2daw s THR 82 Ca 0.27 -1.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.11 2daw s THR 82 Cb -0.16 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.43 2daw s THR 82 CO 0.11 -0.73 0.89 -0.04 -0.69 0.00 0.00 174.62 174.16 2daw s MET 83 N 1.11 4.07 0.00 4.92 -1.94 -1.21 -2.11 119.30 124.13 2daw s MET 83 Ca 0.12 0.86 0.00 0.00 -1.71 0.00 0.00 55.69 54.97 2daw s MET 83 Cb -0.20 -3.70 0.00 0.00 2.01 0.00 0.00 34.83 32.94 2daw s MET 83 CO -0.15 -0.69 0.00 -0.35 -0.01 0.00 0.00 175.02 173.82 2daw n PRO 84 N 6.33 0.34 -0.30 2.03 -0.04 -1.26 -4.12 135.00 137.98 2daw n PRO 84 Ca 0.07 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2daw n PRO 84 Cb 0.47 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.21 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 -1.16 0.78 -0.02 0.54 8.25 -1.26 -4.41 115.22 117.93 2daw n HIS 85 Ca 0.00 -0.39 -0.07 0.00 -0.26 0.00 0.00 57.72 57.00 2daw n HIS 85 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 1.33 1.00 -2.93 0.41 7.64 -1.26 -4.75 113.62 115.07 2daw n SER 86 Ca 0.21 0.16 -0.27 0.00 1.01 0.00 0.00 58.87 59.98 2daw n SER 86 Cb 0.54 -0.37 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 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 -3.61 -2.07 0.72 1.43 4.19 -1.26 -2.02 117.16 114.54 2daw n TYR 87 Ca -0.12 0.30 0.07 0.00 3.31 0.00 0.00 57.90 61.46 2daw n TYR 87 Cb 0.41 -1.16 0.38 0.00 0.49 0.00 0.00 39.34 39.46 2daw n TYR 87 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2daw n PRO 88 N 1.07 0.23 -0.24 2.98 -0.04 -1.26 -4.65 135.00 133.10 2daw n PRO 88 Ca 0.05 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 2daw n PRO 88 Cb 0.33 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.56 2daw n PRO 88 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2daw n TYR 89 N -1.26 0.57 -4.48 0.54 4.02 -0.86 -4.38 117.16 111.31 2daw n TYR 89 Ca 0.07 0.86 -0.23 0.00 -0.01 0.00 0.00 57.90 58.59 2daw n TYR 89 Cb 0.11 -1.11 -0.09 0.00 -0.02 0.00 0.00 39.34 38.23 2daw n TYR 89 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 2daw s LEU 90 N -9.75 2.07 -0.29 7.72 -0.00 -1.26 -4.52 118.68 112.65 2daw s LEU 90 Ca -0.08 -1.52 -0.29 0.00 -0.00 0.00 0.00 54.13 52.24 2daw s LEU 90 Cb 0.22 -0.25 -0.00 0.00 -0.00 0.00 0.00 46.19 46.15 2daw s LEU 90 CO 0.56 -0.76 1.39 0.00 -0.00 0.00 0.00 176.35 177.54 2daw s ALA 91 N -3.27 3.30 1.21 1.48 0.00 -1.26 -4.29 121.76 118.93 2daw s ALA 91 Ca 0.30 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2daw s ALA 91 Cb 0.06 -3.81 0.18 0.00 0.00 0.00 0.00 23.12 19.55 2daw s ALA 91 CO 0.14 -1.89 0.47 1.47 0.00 0.00 0.00 175.76 175.96 2daw n LEU 92 N 7.97 0.00 -4.61 0.00 -0.00 -1.26 -5.02 117.00 114.08 2daw n LEU 92 Ca 0.16 -0.49 -0.34 0.00 -0.00 0.00 0.00 56.01 55.34 2daw n LEU 92 Cb 0.46 -0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 43.28 2daw n LEU 92 CO 0.64 -2.01 -0.32 -1.10 -0.00 0.00 0.00 177.39 174.61 2daw s GLN 93 N -4.11 3.33 0.00 1.47 -0.21 -0.90 -5.01 119.66 114.23 2daw s GLN 93 Ca 0.34 -0.44 -0.00 0.00 0.02 0.00 0.00 55.36 55.28 2daw s GLN 93 Cb -0.05 -2.88 -0.00 0.00 1.00 0.00 0.00 33.01 31.08 2daw s GLN 93 CO 0.28 0.49 0.00 -0.51 -2.12 0.00 0.00 175.29 173.44 2daw s LEU 94 N -0.31 2.02 -0.21 2.90 1.43 -1.26 -0.69 118.68 122.56 2daw s LEU 94 Ca 0.06 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2daw s LEU 94 Cb -0.12 0.07 0.11 0.00 0.03 0.00 0.00 46.19 46.27 2daw s LEU 94 CO 0.02 -0.08 0.34 0.12 0.23 0.00 0.00 176.35 176.97 2daw s PHE 95 N -0.38 -0.65 -0.24 0.29 2.19 -0.94 -4.96 117.98 113.29 2daw s PHE 95 Ca -0.04 0.86 -0.07 0.00 0.33 0.00 0.00 56.93 58.01 2daw s PHE 95 Cb -0.03 -0.01 -0.03 0.00 -1.31 0.00 0.00 43.02 41.64 2daw s PHE 95 CO -0.00 -0.60 0.05 0.20 1.83 0.00 0.00 175.22 176.70 2daw s GLY 96 N 2.49 1.74 -0.10 13.12 0.00 -1.26 -0.17 107.32 123.15 2daw s GLY 96 Ca 0.07 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.69 2daw s GLY 96 CO -0.13 0.48 -0.12 0.50 0.00 0.00 0.00 173.10 173.82 2daw s ARG 97 N 1.51 3.02 0.03 2.90 0.52 -0.35 -4.96 118.95 121.62 2daw s ARG 97 Ca 0.06 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 2daw s ARG 97 Cb -0.15 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 2daw s ARG 97 CO 0.02 0.41 -0.04 0.45 0.02 0.00 0.00 175.30 176.17 2daw s SER 98 N -0.16 0.41 0.14 0.23 0.15 -1.26 -2.79 113.70 110.42 2daw s SER 98 Ca -0.00 -0.65 -0.05 0.00 0.70 0.00 0.00 55.95 55.94 2daw s SER 98 Cb -0.13 0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 64.23 2daw s SER 98 CO 0.03 -0.37 1.33 0.77 1.20 0.00 0.00 173.24 176.20 2daw h SER 99 N 4.18 0.60 0.09 5.45 4.64 -2.00 -3.32 113.55 123.19 2daw h SER 99 Ca -0.33 -0.44 -0.00 0.00 -0.47 0.00 0.00 61.79 60.54 2daw h SER 99 Cb 1.19 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2daw h SER 99 CO 0.48 1.22 -0.04 -0.33 -0.87 0.00 0.00 176.83 177.29 2daw h GLU 100 N 0.30 -0.12 -6.59 4.77 4.39 -1.97 -3.45 114.58 111.91 2daw h GLU 100 Ca -0.07 0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.06 2daw h GLU 100 Cb 1.49 0.03 0.15 0.00 -0.10 0.00 0.00 28.75 30.31 2daw h GLU 100 CO 0.16 0.39 -0.09 1.28 -1.16 0.00 0.00 179.01 179.58 2daw n LEU 101 N -4.87 1.87 -4.77 1.33 4.77 -1.25 -5.00 117.00 109.07 2daw n LEU 101 Ca -0.08 0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 56.56 2daw n LEU 101 Cb 0.28 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 2daw n LEU 101 CO 0.29 -2.22 -0.17 -0.62 -1.33 0.00 0.00 177.39 173.35 2daw s ASP 102 N -0.99 4.94 0.21 -1.43 2.15 -1.26 -4.83 116.67 115.46 2daw s ASP 102 Ca 0.67 -0.63 -0.19 0.00 0.43 0.00 0.00 52.55 52.83 2daw s ASP 102 Cb -0.51 -0.87 0.18 0.00 -0.30 0.00 0.00 42.92 41.42 2daw s ASP 102 CO 0.54 -0.27 1.57 -0.09 -0.17 0.00 0.00 175.17 176.75 2daw h ARG 103 N 1.47 -0.09 0.29 4.34 2.43 -1.97 0.26 114.38 121.11 2daw h ARG 103 Ca -0.44 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2daw h ARG 103 Cb 1.25 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2daw h ARG 103 CO 0.61 -0.06 -0.21 1.25 -1.51 0.00 0.00 179.97 180.05 2daw h HIS 104 N -0.09 -0.58 -0.40 2.20 2.76 -2.01 -2.77 115.15 114.25 2daw h HIS 104 Ca 0.28 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 2daw h HIS 104 Cb 0.57 0.21 -0.07 0.00 1.55 0.00 0.00 27.41 29.68 2daw h HIS 104 CO -0.73 -0.30 -0.43 1.96 -1.30 0.00 0.00 177.93 177.13 2daw h GLN 105 N -0.48 -0.23 -0.72 5.26 1.08 -1.82 -1.75 115.11 116.45 2daw h GLN 105 Ca -0.04 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 2daw h GLN 105 Cb 0.40 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.79 2daw h GLN 105 CO 0.02 -0.15 -0.41 0.94 -0.95 0.00 0.00 178.83 178.28 2daw n GLN 106 N -4.71 -0.30 -0.21 1.46 7.27 0.85 0.22 117.38 121.96 2daw n GLN 106 Ca -0.02 1.09 -0.09 0.00 0.07 0.00 0.00 57.00 58.05 2daw n GLN 106 Cb 0.24 -1.61 -0.05 0.00 2.41 0.00 0.00 30.24 31.24 2daw n GLN 106 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2daw h LEU 107 N 0.00 -1.58 -0.33 1.69 3.38 -1.02 0.46 115.31 117.91 2daw h LEU 107 Ca 0.13 0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.42 2daw h LEU 107 Cb 0.31 0.71 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 2daw h LEU 107 CO -0.68 -0.34 -0.35 -0.07 0.09 0.00 0.00 178.44 177.09 2daw h LEU 108 N -0.24 -1.13 0.10 1.67 3.38 -0.02 0.13 115.31 119.20 2daw h LEU 108 Ca 0.17 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.34 2daw h LEU 108 Cb 0.56 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2daw h LEU 108 CO -0.69 -0.34 -0.43 0.25 0.09 0.00 0.00 178.44 177.32 2daw h LEU 109 N -0.31 -1.27 0.05 1.67 5.85 -0.28 0.17 115.31 121.20 2daw h LEU 109 Ca 0.15 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2daw h LEU 109 Cb 0.55 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2daw h LEU 109 CO -0.50 -0.49 -0.11 0.78 -0.34 0.00 0.00 178.44 177.79 2daw h ASN 110 N -0.64 -0.31 -0.79 1.25 -0.26 -0.40 0.27 115.58 114.69 2daw h ASN 110 Ca 0.02 0.03 0.14 0.00 -0.56 0.00 0.00 56.30 55.93 2daw h ASN 110 Cb 0.68 0.11 -0.14 0.00 -1.06 0.00 0.00 38.32 37.91 2daw h ASN 110 CO -0.26 -0.12 -0.33 0.11 -1.06 0.00 0.00 177.43 175.77 2daw h LYS 111 N -0.17 -0.07 -0.47 0.81 1.57 -0.71 0.68 116.57 118.20 2daw h LYS 111 Ca -0.01 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2daw h LYS 111 Cb 0.16 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2daw h LYS 111 CO -0.04 -0.05 0.31 0.78 -0.57 0.00 0.00 179.45 179.88 2daw h GLY 112 N -0.07 0.59 0.31 3.86 0.00 -0.41 -2.38 103.07 104.97 2daw h GLY 112 Ca 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2daw h GLY 112 CO -0.83 0.19 -0.15 -2.00 0.00 0.00 0.00 176.54 173.74 2daw h LEU 113 N 0.53 -0.36 -0.62 3.11 5.85 0.38 -2.84 115.31 121.37 2daw h LEU 113 Ca 0.19 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.98 2daw h LEU 113 Cb 0.09 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 2daw h LEU 113 CO -0.05 0.06 -0.51 0.71 -0.34 0.00 0.00 178.44 178.32 2daw h THR 114 N -1.06 0.00 -0.46 1.05 1.35 -0.42 -0.13 112.91 113.24 2daw h THR 114 Ca -0.04 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.91 2daw h THR 114 Cb 0.32 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.65 2daw h THR 114 CO 0.07 0.00 -0.17 -1.28 -0.25 0.00 0.00 175.52 173.89 2daw h SER 115 N -0.18 -0.59 -0.71 5.36 0.87 -1.58 0.32 113.55 117.05 2daw h SER 115 Ca 0.10 0.16 0.21 0.00 -1.23 0.00 0.00 61.79 61.02 2daw h SER 115 Cb 0.44 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 2daw h SER 115 CO -0.67 -0.20 0.54 0.22 -0.53 0.00 0.00 176.83 176.18 2daw h TYR 116 N -0.07 0.00 0.00 2.24 3.20 -0.82 0.70 116.97 122.23 2daw h TYR 116 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2daw h TYR 116 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2daw h TYR 116 CO -0.44 0.00 -0.48 0.82 -1.64 0.00 0.00 178.16 176.42 2daw h ILE 117 N 0.00 0.00 0.00 1.81 1.08 0.89 -3.27 117.51 118.02 2daw h ILE 117 Ca 0.34 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2daw h ILE 117 Cb 1.41 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 2daw h ILE 117 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 2daw n GLY 118 N 1.21 -1.54 0.15 5.37 0.00 0.24 -3.38 105.19 107.23 2daw n GLY 118 Ca 0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2daw n GLY 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2daw h THR 119 N 0.00 1.42 -3.25 2.61 1.35 -1.56 -3.46 112.91 110.01 2daw h THR 119 Ca 0.00 -2.53 -0.55 0.00 -0.55 0.00 0.00 66.41 62.78 2daw h THR 119 Cb 0.57 2.48 0.20 0.00 -1.73 0.00 0.00 68.15 69.67 2daw h THR 119 CO 0.00 0.75 -0.50 0.49 -0.25 0.00 0.00 175.52 176.01 2daw n PHE 120 N -3.71 -1.15 -3.23 4.73 3.72 -1.22 -4.98 117.46 111.61 2daw n PHE 120 Ca -0.07 0.30 -0.27 0.00 -0.05 0.00 0.00 57.45 57.36 2daw n PHE 120 Cb 0.85 -1.86 -0.02 0.00 -0.94 0.00 0.00 39.48 37.51 2daw n PHE 120 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2daw s ASP 121 N -1.66 6.38 -0.47 4.37 1.01 -1.26 -5.01 116.67 120.03 2daw s ASP 121 Ca 0.62 0.68 -0.28 0.00 0.71 0.00 0.00 52.55 54.28 2daw s ASP 121 Cb -0.29 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2daw s ASP 121 CO 0.62 -0.29 1.78 -2.16 0.21 0.00 0.00 175.17 175.33 2daw s PRO 122 N -3.95 3.05 0.00 8.23 0.04 -1.26 -3.35 135.00 137.76 2daw s PRO 122 Ca 0.43 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2daw s PRO 122 Cb -0.10 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2daw s PRO 122 CO 0.34 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.57 2daw n GLY 123 N 5.50 3.49 3.92 0.56 0.00 -1.26 -4.83 105.19 112.56 2daw n GLY 123 Ca 0.21 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 0.78 -0.00 1.61 0.41 -1.21 -4.80 118.70 115.48 2daw s GLU 124 Ca 0.00 -0.32 -0.10 0.00 -0.41 0.00 0.00 54.97 54.13 2daw s GLU 124 Cb 0.00 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.44 2daw s GLU 124 CO 0.00 -2.34 0.33 -0.51 -0.49 0.00 0.00 175.26 172.25 2daw s LEU 125 N -5.88 4.41 -0.06 1.80 1.43 -1.26 -4.52 118.68 114.60 2daw s LEU 125 Ca 0.72 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2daw s LEU 125 Cb -0.05 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2daw s LEU 125 CO 0.53 0.29 -0.05 0.00 0.23 0.00 0.00 176.35 177.34 2daw h VAL 127 N -0.01 0.55 0.00 0.00 3.04 -1.99 0.73 116.25 118.58 2daw h VAL 127 Ca -0.13 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.50 2daw h VAL 127 Cb 1.19 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2daw h VAL 127 CO -0.02 0.00 -0.32 0.00 -1.01 0.00 0.00 177.57 176.22 2daw n ALA 129 N -2.22 1.69 -0.08 0.00 0.00 0.23 -4.08 120.51 116.05 2daw n ALA 129 Ca 0.01 -0.72 0.03 0.00 0.00 0.00 0.00 53.44 52.76 2daw n ALA 129 Cb 0.55 -0.84 0.36 0.00 0.00 0.00 0.00 19.45 19.52 2daw n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2daw h ALA 130 N 1.18 1.63 0.31 0.00 0.00 -0.92 0.05 119.26 121.51 2daw h ALA 130 Ca -0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2daw h ALA 130 Cb 1.85 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2daw h ALA 130 CO 0.06 0.34 -0.15 0.82 0.00 0.00 0.00 179.25 180.33 2daw h ILE 131 N 0.72 0.00 -0.91 0.00 2.04 -1.70 -1.33 117.51 116.33 2daw h ILE 131 Ca 0.20 -0.11 0.14 0.00 1.00 0.00 0.00 64.86 66.10 2daw h ILE 131 Cb -0.07 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 35.94 2daw h ILE 131 CO -0.04 0.00 0.58 -0.61 0.00 0.00 0.00 178.15 178.08 2daw h GLN 132 N -0.53 0.71 -0.35 2.37 5.75 -1.71 -1.17 115.11 120.19 2daw h GLN 132 Ca -0.04 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2daw h GLN 132 Cb 0.32 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2daw h GLN 132 CO 0.07 0.47 0.20 2.35 -2.65 0.00 0.00 178.83 179.27 2daw h TRP 133 N 0.73 0.47 0.56 3.99 7.01 -0.98 -1.36 115.95 126.37 2daw h TRP 133 Ca 0.46 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.43 2daw h TRP 133 Cb 0.70 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.61 2daw h TRP 133 CO -0.00 0.36 -0.31 -0.07 -2.79 0.00 0.00 178.44 175.63 2daw h LEU 134 N 0.44 -0.77 -0.20 0.65 3.38 -0.02 0.53 115.31 119.32 2daw h LEU 134 Ca 0.12 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2daw h LEU 134 Cb 0.04 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 2daw h LEU 134 CO -0.02 -0.51 -0.26 1.56 0.09 0.00 0.00 178.44 179.30 2daw h GLN 135 N -0.81 -0.28 -0.57 1.13 4.20 -1.36 1.45 115.11 118.87 2daw h GLN 135 Ca -0.07 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2daw h GLN 135 Cb 0.65 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 2daw h GLN 135 CO 0.09 -0.19 0.21 -0.44 -0.67 0.00 0.00 178.83 177.84 2daw h ASP 136 N -0.29 0.76 -1.16 1.46 3.32 -1.15 -2.88 116.42 116.47 2daw h ASP 136 Ca 0.12 -0.10 -0.63 0.00 0.02 0.00 0.00 57.03 56.44 2daw h ASP 136 Cb 0.48 -0.20 -0.37 0.00 0.22 0.00 0.00 39.33 39.47 2daw h ASP 136 CO -0.37 0.69 -0.07 0.59 -1.72 0.00 0.00 179.24 178.37 2daw n ASN 137 N -4.32 6.01 -0.06 6.45 3.02 0.18 -4.65 115.26 121.89 2daw n ASN 137 Ca 0.05 -3.77 -0.11 0.00 -0.03 0.00 0.00 54.58 50.72 2daw n ASN 137 Cb 0.17 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.69 1.43 -0.14 6.41 2.88 0.49 -4.61 113.62 119.39 2daw n SER 138 Ca 0.49 0.24 -0.04 0.00 -1.33 0.00 0.00 58.87 58.23 2daw n SER 138 Cb 0.71 -0.55 0.04 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.61 0.37 -1.15 -1.46 0.00 -1.81 -0.53 119.26 114.06 2daw h ALA 139 Ca -0.19 0.15 0.40 0.00 0.00 0.00 0.00 54.91 55.26 2daw h ALA 139 Cb 0.96 0.27 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 2daw h ALA 139 CO -0.12 -0.42 0.69 1.03 0.00 0.00 0.00 179.25 180.44 2daw h SER 140 N 0.06 0.34 0.94 0.00 0.87 -1.86 1.73 113.55 115.63 2daw h SER 140 Ca 0.22 0.18 -0.22 0.00 -1.23 0.00 0.00 61.79 60.74 2daw h SER 140 Cb 0.33 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2daw h SER 140 CO -0.41 -0.24 -1.04 1.88 -0.53 0.00 0.00 176.83 176.50 2daw h TYR 141 N 0.13 0.08 0.00 2.24 -1.99 -1.37 -3.39 116.97 112.67 2daw h TYR 141 Ca 0.80 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 61.47 2daw h TYR 141 Cb 2.24 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.97 2daw h TYR 141 CO -0.01 1.04 -0.07 0.74 -0.00 0.00 0.00 178.16 179.86 2daw h PHE 142 N 0.01 0.00 -6.41 4.88 -1.00 0.26 -3.47 116.94 111.21 2daw h PHE 142 Ca -0.03 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.27 2daw h PHE 142 Cb 1.80 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 41.12 2daw h PHE 142 CO 0.01 0.00 -0.72 1.28 -1.61 0.00 0.00 178.31 177.27 2daw n LEU 143 N -2.83 -0.68 -0.03 1.54 4.77 0.38 -4.81 117.00 115.33 2daw n LEU 143 Ca -0.01 -0.97 -0.01 0.00 -0.03 0.00 0.00 56.01 54.99 2daw n LEU 143 Cb 0.04 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 39.90 2daw n LEU 143 CO 0.02 0.21 -0.08 -1.13 -1.33 0.00 0.00 177.39 175.07 2daw h ASN 144 N -0.89 0.00 -4.87 -1.43 -0.73 -1.91 -3.50 115.58 102.26 2daw h ASN 144 Ca -0.48 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.44 2daw h ASN 144 Cb 1.07 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.52 2daw h ASN 144 CO 0.62 0.35 -0.66 -0.13 -0.37 0.00 0.00 177.43 177.25 2daw s ARG 145 N -1.49 1.03 -0.43 6.67 0.52 -1.26 -5.06 118.95 118.92 2daw s ARG 145 Ca -0.04 -1.49 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2daw s ARG 145 Cb 0.00 -0.06 0.46 0.00 0.52 0.00 0.00 34.95 35.87 2daw s ARG 145 CO 0.05 -0.18 1.50 1.63 0.02 0.00 0.00 175.30 178.33 2daw n LYS 146 N -0.18 3.27 -3.02 3.54 5.02 -1.26 -4.71 118.16 120.83 2daw n LYS 146 Ca -0.06 -3.85 -0.07 0.00 -2.02 0.00 0.00 58.31 52.31 2daw n LYS 146 Cb 0.63 -2.28 0.02 0.00 -0.02 0.00 0.00 35.03 33.38 2daw n LYS 146 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2daw n LEU 147 N -0.78 0.00 -3.92 -0.35 -0.00 -1.26 -5.13 117.00 105.57 2daw n LEU 147 Ca 0.51 -1.87 -0.21 0.00 -0.00 0.00 0.00 56.01 54.44 2daw n LEU 147 Cb 0.85 2.71 -0.16 0.00 -0.00 0.00 0.00 43.42 46.81 2daw n LEU 147 CO 0.55 -0.61 -0.42 -0.69 -0.00 0.00 0.00 177.39 176.21 2daw s VAL 148 N -2.37 0.65 -0.24 1.47 1.01 -1.26 -4.78 120.40 114.87 2daw s VAL 148 Ca 0.12 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2daw s VAL 148 Cb -0.03 -0.65 0.16 0.00 0.00 0.00 0.00 36.38 35.86 2daw s VAL 148 CO 0.09 0.25 1.21 -0.55 0.00 0.00 0.00 175.10 176.10 2daw s SER 149 N 0.87 -0.18 -0.00 3.32 0.15 -1.26 -5.18 113.70 111.42 2daw s SER 149 Ca -0.12 0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.81 2daw s SER 149 Cb -0.15 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2daw s SER 149 CO 0.01 -0.16 -0.17 -0.83 1.20 0.00 0.00 173.24 173.29 2daw s GLY 150 N -0.92 0.85 0.58 9.45 0.00 -1.26 -5.14 107.32 110.88 2daw s GLY 150 Ca 0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 2daw s GLY 150 CO -0.05 -0.67 1.12 2.56 0.00 0.00 0.00 173.10 176.07 2daw s PRO 151 N -0.57 3.18 0.14 2.90 0.04 -1.26 -5.07 135.00 134.38 2daw s PRO 151 Ca 0.06 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 2daw s PRO 151 Cb -0.07 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2daw s PRO 151 CO -0.00 -0.97 0.04 -1.54 0.04 0.00 0.00 177.00 174.57 2daw s SER 152 N -2.02 0.57 0.32 6.66 1.04 -1.26 -5.18 113.70 113.82 2daw s SER 152 Ca 0.71 -1.20 0.03 0.00 0.48 0.00 0.00 55.95 55.96 2daw s SER 152 Cb -0.23 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2daw s SER 152 CO 0.31 -0.69 0.11 -0.44 0.98 0.00 0.00 173.24 173.52 2daw s SER 153 N -3.09 1.87 0.00 7.02 0.01 -1.26 -5.37 113.70 112.88 2daw s SER 153 Ca 0.24 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2daw s SER 153 Cb 0.07 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2daw s SER 153 CO 0.03 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.50