#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsa s LYS 2 N 0.00 2.49 -0.24 2.12 1.02 -0.12 -0.62 119.74 124.39 2dsa s LYS 2 Ca 0.00 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.06 2dsa s LYS 2 Cb 0.00 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 2dsa s LYS 2 CO 0.00 0.36 0.01 -1.17 -0.92 0.00 0.00 175.35 173.63 2dsa s LEU 3 N -0.13 3.17 -0.11 3.17 2.96 -0.23 -0.48 118.68 127.03 2dsa s LEU 3 Ca -0.04 -0.35 -0.26 0.00 -0.22 0.00 0.00 54.13 53.26 2dsa s LEU 3 Cb -0.14 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 2dsa s LEU 3 CO 0.04 -0.04 0.83 -0.31 -1.32 0.00 0.00 176.35 175.54 2dsa s TYR 4 N 1.53 3.50 0.09 5.38 1.51 -0.35 -0.62 117.35 128.39 2dsa s TYR 4 Ca 0.06 1.34 -0.04 0.00 -1.01 0.00 0.00 57.07 57.41 2dsa s TYR 4 Cb -0.15 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.69 2dsa s TYR 4 CO -0.00 -0.12 0.08 1.52 -1.11 0.00 0.00 175.55 175.92 2dsa s TYR 5 N 1.62 0.44 -0.04 2.71 -0.85 -0.41 -3.30 117.35 117.53 2dsa s TYR 5 Ca 0.41 -0.91 0.03 0.00 -0.52 0.00 0.00 57.07 56.08 2dsa s TYR 5 Cb -0.18 -0.27 0.00 0.00 0.38 0.00 0.00 41.96 41.90 2dsa s TYR 5 CO 0.16 -0.49 -0.12 0.45 -1.52 0.00 0.00 175.55 174.04 2dsa s SER 6 N -2.93 1.55 -0.19 -0.18 0.15 -1.26 -0.24 113.70 110.60 2dsa s SER 6 Ca 0.10 -0.25 -0.40 0.00 0.70 0.00 0.00 55.95 56.10 2dsa s SER 6 Cb 0.06 -0.48 -0.17 0.00 -1.71 0.00 0.00 66.02 63.73 2dsa s SER 6 CO -0.08 0.08 1.59 -2.65 1.20 0.00 0.00 173.24 173.39 2dsa n PRO 7 N 3.35 0.97 -0.34 5.44 -0.02 -1.26 -1.46 135.00 141.68 2dsa n PRO 7 Ca -0.19 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2dsa n PRO 7 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2dsa n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dsa n GLY 8 N 3.61 1.91 3.70 -1.23 0.00 -1.26 -5.01 105.19 106.91 2dsa n GLY 8 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2dsa n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dsa s ALA 9 N -3.00 1.09 0.63 4.61 0.00 -0.54 -4.87 121.76 119.69 2dsa s ALA 9 Ca 0.00 -1.17 0.36 0.00 0.00 0.00 0.00 51.96 51.16 2dsa s ALA 9 Cb 0.00 -2.80 2.05 0.00 0.00 0.00 0.00 23.12 22.37 2dsa s ALA 9 CO 0.00 -3.36 2.25 0.00 0.00 0.00 0.00 175.76 174.64 2dsa h SER 11 N 0.00 0.00 0.19 0.00 4.64 -1.85 -0.98 113.55 115.55 2dsa h SER 11 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2dsa h SER 11 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2dsa h SER 11 CO -0.00 0.00 -0.04 0.25 -0.87 0.00 0.00 176.83 176.17 2dsa h LEU 12 N 0.00 0.00 0.62 5.97 5.85 -1.56 -1.61 115.31 124.59 2dsa h LEU 12 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2dsa h LEU 12 Cb 0.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2dsa h LEU 12 CO 0.00 0.04 -0.30 -1.28 -0.34 0.00 0.00 178.44 176.56 2dsa h SER 13 N 0.00 -0.71 -0.92 1.25 0.87 -1.40 -1.28 113.55 111.36 2dsa h SER 13 Ca -0.00 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.67 2dsa h SER 13 Cb 0.14 0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 2dsa h SER 13 CO 0.00 -0.35 0.60 1.55 -0.53 0.00 0.00 176.83 178.10 2dsa h PRO 14 N -1.16 0.94 -0.15 2.24 0.13 -1.73 -1.37 132.00 130.90 2dsa h PRO 14 Ca -0.09 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2dsa h PRO 14 Cb 0.64 -0.21 -0.07 0.00 0.13 0.00 0.00 31.00 31.49 2dsa h PRO 14 CO 0.14 0.62 -0.47 1.25 -0.23 0.00 0.00 178.00 179.31 2dsa h HIS 15 N 0.96 -1.37 -0.64 1.56 2.76 -1.31 0.20 115.15 117.32 2dsa h HIS 15 Ca 0.42 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.68 2dsa h HIS 15 Cb 0.35 0.62 -0.04 0.00 1.55 0.00 0.00 27.41 29.88 2dsa h HIS 15 CO -0.00 -0.50 0.38 0.82 -1.30 0.00 0.00 177.93 177.33 2dsa h ILE 16 N -0.52 1.05 -0.91 6.26 2.04 -1.03 -2.19 117.51 122.21 2dsa h ILE 16 Ca 0.06 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.67 2dsa h ILE 16 Cb 0.65 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2dsa h ILE 16 CO -0.42 0.14 0.59 0.00 0.00 0.00 0.00 178.15 178.45 2dsa h ALA 17 N 1.29 1.15 -0.96 1.87 0.00 -0.60 0.10 119.26 122.11 2dsa h ALA 17 Ca 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dsa h ALA 17 Cb 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2dsa h ALA 17 CO -0.12 0.56 0.60 -0.07 0.00 0.00 0.00 179.25 180.22 2dsa h LEU 18 N 1.23 1.14 -0.22 0.00 3.38 -0.16 0.41 115.31 121.09 2dsa h LEU 18 Ca 0.33 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2dsa h LEU 18 Cb -0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 2dsa h LEU 18 CO -0.07 0.86 -0.32 0.03 0.09 0.00 0.00 178.44 179.03 2dsa h ARG 19 N 1.32 0.61 -0.88 1.13 3.08 -0.78 -1.92 114.38 116.94 2dsa h ARG 19 Ca 0.35 -0.36 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2dsa h ARG 19 Cb -0.09 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 2dsa h ARG 19 CO -0.07 0.97 0.57 0.93 -1.07 0.00 0.00 179.97 181.30 2dsa h GLU 20 N 0.30 0.89 0.00 0.04 4.39 -0.64 -2.25 114.58 117.31 2dsa h GLU 20 Ca 0.02 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2dsa h GLU 20 Cb 0.90 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2dsa h GLU 20 CO 0.07 0.59 -0.04 0.00 -1.16 0.00 0.00 179.01 178.47 2dsa h ALA 21 N 1.54 0.99 -0.29 3.43 0.00 -0.76 -3.48 119.26 120.69 2dsa h ALA 21 Ca 0.40 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2dsa h ALA 21 Cb 0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2dsa h ALA 21 CO -0.16 0.05 -0.10 0.41 0.00 0.00 0.00 179.25 179.46 2dsa n GLY 22 N 0.58 0.69 3.85 0.00 0.00 -0.76 -4.93 105.19 104.62 2dsa n GLY 22 Ca 0.02 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2dsa n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dsa s LEU 23 N -1.15 3.88 0.10 0.99 1.43 -0.97 -5.04 118.68 117.91 2dsa s LEU 23 Ca 0.00 1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 54.18 2dsa s LEU 23 Cb 0.00 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 2dsa s LEU 23 CO 0.00 -0.37 1.02 0.20 0.23 0.00 0.00 176.35 177.42 2dsa s ASN 24 N -2.68 7.39 0.16 2.29 0.01 -1.26 -4.81 114.94 116.04 2dsa s ASN 24 Ca 0.56 1.85 -0.20 0.00 -0.71 0.00 0.00 52.86 54.36 2dsa s ASN 24 Cb -0.10 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 39.02 2dsa s ASN 24 CO 0.23 -0.18 0.53 0.72 -1.51 0.00 0.00 177.10 176.90 2dsa s PHE 25 N 0.26 -0.36 -0.16 2.20 -0.71 -1.26 -4.56 117.98 113.39 2dsa s PHE 25 Ca 0.50 0.09 -0.01 0.00 -1.04 0.00 0.00 56.93 56.46 2dsa s PHE 25 Cb -0.25 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.00 2dsa s PHE 25 CO 0.30 -0.82 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.26 2dsa s GLU 26 N -3.79 3.38 0.04 1.99 2.12 0.21 -5.00 118.70 117.65 2dsa s GLU 26 Ca 0.03 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 2dsa s GLU 26 Cb -0.00 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2dsa s GLU 26 CO -0.11 0.08 1.04 -0.51 -0.54 0.00 0.00 175.26 175.22 2dsa s LEU 27 N 0.71 4.40 -0.23 2.70 1.43 -1.26 -1.07 118.68 125.36 2dsa s LEU 27 Ca -0.05 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2dsa s LEU 27 Cb -0.15 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.55 2dsa s LEU 27 CO 0.02 -0.28 -0.07 -0.69 0.23 0.00 0.00 176.35 175.56 2dsa s VAL 28 N 0.80 1.59 0.29 -1.59 1.01 0.21 -4.93 120.40 117.79 2dsa s VAL 28 Ca 0.53 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2dsa s VAL 28 Cb -0.24 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 2dsa s VAL 28 CO 0.29 -0.05 1.17 -1.58 0.00 0.00 0.00 175.10 174.93 2dsa s GLN 29 N 1.37 4.55 -0.07 2.72 0.74 -1.26 -1.29 119.66 126.42 2dsa s GLN 29 Ca -0.05 1.93 0.04 0.00 0.05 0.00 0.00 55.36 57.34 2dsa s GLN 29 Cb -0.19 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 2dsa s GLN 29 CO -0.06 0.08 -0.21 0.08 -0.55 0.00 0.00 175.29 174.63 2dsa s VAL 30 N -1.12 2.43 -0.48 1.34 1.01 0.66 -0.76 120.40 123.48 2dsa s VAL 30 Ca 0.46 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 2dsa s VAL 30 Cb -0.34 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2dsa s VAL 30 CO 0.45 0.57 0.84 -0.62 0.00 0.00 0.00 175.10 176.34 2dsa s ASP 31 N -0.17 6.40 0.26 3.32 -1.08 0.00 -4.59 116.67 120.80 2dsa s ASP 31 Ca -0.02 -0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.08 2dsa s ASP 31 Cb -0.14 -2.41 0.96 0.00 -1.46 0.00 0.00 42.92 39.88 2dsa s ASP 31 CO 0.04 -1.02 1.73 0.18 0.52 0.00 0.00 175.17 176.61 2dsa n LEU 32 N 6.97 0.72 -0.00 -1.34 4.77 -1.26 0.17 117.00 127.02 2dsa n LEU 32 Ca 0.02 0.66 -0.07 0.00 -0.03 0.00 0.00 56.01 56.59 2dsa n LEU 32 Cb 0.48 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2dsa n LEU 32 CO 0.61 -0.51 0.21 0.00 -1.33 0.00 0.00 177.39 176.37 2dsa h ALA 33 N 2.30 -0.11 0.00 -1.18 0.00 -1.96 -3.37 119.26 114.94 2dsa h ALA 33 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dsa h ALA 33 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dsa h ALA 33 CO 0.00 -0.13 -0.33 -1.13 0.00 0.00 0.00 179.25 177.66 2dsa n SER 34 N -4.81 0.36 -3.89 0.00 3.41 -1.19 -4.96 113.62 102.53 2dsa n SER 34 Ca -0.05 0.05 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2dsa n SER 34 Cb 0.20 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2dsa n SER 34 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dsa n LYS 35 N -1.57 -5.44 -5.21 4.33 4.76 0.13 -4.96 118.16 110.20 2dsa n LYS 35 Ca 0.06 0.60 -0.32 0.00 -2.87 0.00 0.00 58.31 55.78 2dsa n LYS 35 Cb 0.35 -5.44 -0.16 0.00 -1.84 0.00 0.00 35.03 27.94 2dsa n LYS 35 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dsa s LYS 36 N -6.54 2.38 0.91 1.97 1.02 -1.19 -1.44 119.74 116.85 2dsa s LYS 36 Ca 0.57 -0.87 -0.15 0.00 0.02 0.00 0.00 55.97 55.53 2dsa s LYS 36 Cb -0.29 -2.16 0.22 0.00 -0.52 0.00 0.00 37.83 35.08 2dsa s LYS 36 CO 0.83 0.49 1.00 0.25 -0.92 0.00 0.00 175.35 177.00 2dsa n THR 37 N 2.64 0.00 -0.01 2.17 -2.24 -0.30 -0.82 114.28 115.72 2dsa n THR 37 Ca -0.17 -0.59 0.01 0.00 -2.27 0.00 0.00 64.05 61.03 2dsa n THR 37 Cb 0.52 -1.39 0.32 0.00 -2.10 0.00 0.00 70.33 67.68 2dsa n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dsa h ALA 38 N -2.24 1.45 -0.00 6.98 0.00 -1.28 -1.86 119.26 122.31 2dsa h ALA 38 Ca -0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dsa h ALA 38 Cb 1.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dsa h ALA 38 CO 0.24 0.40 -0.03 -1.13 0.00 0.00 0.00 179.25 178.73 2dsa n SER 39 N -4.33 0.49 0.00 0.00 3.41 -1.26 -4.92 113.62 107.00 2dsa n SER 39 Ca 0.02 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2dsa n SER 39 Cb 0.19 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2dsa n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dsa n GLY 40 N 1.14 0.75 3.76 5.00 0.00 -0.70 -5.06 105.19 110.09 2dsa n GLY 40 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2dsa n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dsa s GLN 41 N -0.52 3.53 -0.28 1.61 0.74 -1.26 -4.69 119.66 118.80 2dsa s GLN 41 Ca 0.00 1.97 -0.29 0.00 0.05 0.00 0.00 55.36 57.09 2dsa s GLN 41 Cb 0.00 -2.37 -0.02 0.00 1.10 0.00 0.00 33.01 31.72 2dsa s GLN 41 CO 0.00 -0.79 1.68 0.34 -0.55 0.00 0.00 175.29 175.97 2dsa s ASP 42 N -1.17 6.17 0.48 6.67 2.15 -1.26 -1.15 116.67 128.55 2dsa s ASP 42 Ca 0.66 1.44 0.26 0.00 0.43 0.00 0.00 52.55 55.34 2dsa s ASP 42 Cb -0.34 -2.53 1.16 0.00 -0.30 0.00 0.00 42.92 40.91 2dsa s ASP 42 CO 0.40 -1.46 1.93 0.22 -0.17 0.00 0.00 175.17 176.09 2dsa h TYR 43 N 11.65 0.00 0.00 -5.34 3.20 -1.60 -2.12 116.97 122.76 2dsa h TYR 43 Ca -0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2dsa h TYR 43 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2dsa h TYR 43 CO 0.94 0.17 0.00 -0.07 -1.64 0.00 0.00 178.16 177.56 2dsa h LEU 44 N 0.00 0.00 -1.77 2.82 3.38 -1.77 0.14 115.31 118.11 2dsa h LEU 44 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2dsa h LEU 44 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dsa h LEU 44 CO 0.02 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.13 2dsa h GLU 45 N 0.00 0.00 0.00 1.13 5.08 -1.77 -3.11 114.58 115.91 2dsa h GLU 45 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2dsa h GLU 45 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2dsa h GLU 45 CO 0.00 0.09 -1.10 0.28 -1.00 0.00 0.00 179.01 177.28 2dsa n VAL 46 N -3.36 1.49 -3.85 3.13 0.31 0.38 -4.86 118.33 111.57 2dsa n VAL 46 Ca -0.01 0.08 -0.36 0.00 -0.01 0.00 0.00 64.34 64.05 2dsa n VAL 46 Cb 0.27 -2.29 -0.13 0.00 -0.91 0.00 0.00 33.84 30.78 2dsa n VAL 46 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2dsa s ASN 47 N -6.11 5.05 0.56 4.52 2.47 -0.48 -5.00 114.94 115.95 2dsa s ASN 47 Ca -0.27 -1.25 0.26 0.00 0.42 0.00 0.00 52.86 52.01 2dsa s ASN 47 Cb 0.05 -1.77 1.49 0.00 -1.45 0.00 0.00 41.25 39.57 2dsa s ASN 47 CO 0.40 -0.29 2.05 -0.65 -3.72 0.00 0.00 177.10 174.89 2dsa h PRO 48 N 8.07 0.00 0.00 0.43 0.11 -1.81 0.04 132.00 138.84 2dsa h PRO 48 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 2dsa h PRO 48 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2dsa h PRO 48 CO 0.56 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.29 2dsa h ALA 49 N 1.76 0.96 0.00 -0.75 0.00 -1.94 -3.48 119.26 115.81 2dsa h ALA 49 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dsa h ALA 49 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dsa h ALA 49 CO -0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2dsa n GLY 50 N 1.12 0.69 3.82 0.00 0.00 0.00 -5.05 105.19 105.76 2dsa n GLY 50 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2dsa n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dsa s TYR 51 N -2.71 3.11 0.28 1.61 -0.85 -1.26 -4.95 117.35 112.58 2dsa s TYR 51 Ca 0.00 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.45 2dsa s TYR 51 Cb 0.00 -1.40 -0.04 0.00 0.38 0.00 0.00 41.96 40.90 2dsa s TYR 51 CO 0.00 0.52 0.47 0.14 -1.52 0.00 0.00 175.55 175.16 2dsa s VAL 52 N -2.12 5.16 0.60 -3.49 -7.23 -1.26 -4.54 120.40 107.52 2dsa s VAL 52 Ca 0.33 -0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 59.87 2dsa s VAL 52 Cb -0.08 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 2dsa s VAL 52 CO 0.25 -0.39 1.02 -2.16 -0.31 0.00 0.00 175.10 173.51 2dsa s PRO 53 N -3.93 3.65 -0.03 4.82 0.04 -1.26 -4.70 135.00 133.60 2dsa s PRO 53 Ca 0.39 0.80 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2dsa s PRO 53 Cb -0.10 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2dsa s PRO 53 CO 0.32 -0.53 -0.04 0.00 0.04 0.00 0.00 177.00 176.79 2dsa s LEU 55 N 0.49 3.67 -0.16 0.00 2.96 -0.26 -1.21 118.68 124.16 2dsa s LEU 55 Ca -0.06 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2dsa s LEU 55 Cb -0.09 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2dsa s LEU 55 CO -0.00 0.12 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.47 2dsa s GLN 56 N 0.70 3.40 0.51 1.98 0.74 0.37 -0.97 119.66 126.39 2dsa s GLN 56 Ca 0.03 -0.65 -0.14 0.00 0.05 0.00 0.00 55.36 54.65 2dsa s GLN 56 Cb -0.13 -2.79 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 2dsa s GLN 56 CO 0.02 0.07 0.94 -0.51 -0.55 0.00 0.00 175.29 175.26 2dsa s LEU 57 N 0.76 3.59 0.27 3.68 1.43 0.60 -0.94 118.68 128.06 2dsa s LEU 57 Ca -0.04 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2dsa s LEU 57 Cb -0.15 -4.38 0.44 0.00 0.03 0.00 0.00 46.19 42.13 2dsa s LEU 57 CO 0.02 -0.60 1.50 0.47 0.23 0.00 0.00 176.35 177.96 2dsa n ASP 58 N -1.78 -0.35 0.00 2.29 10.43 -1.26 -0.88 116.55 124.99 2dsa n ASP 58 Ca 0.05 1.65 0.10 0.00 2.57 0.00 0.00 54.79 59.16 2dsa n ASP 58 Cb 0.54 -0.50 0.55 0.00 1.84 0.00 0.00 41.12 43.55 2dsa n ASP 58 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2dsa n ASP 59 N -5.56 0.00 0.00 -2.24 3.85 -1.26 -4.87 116.55 106.46 2dsa n ASP 59 Ca 0.15 -0.44 0.00 0.00 -0.71 0.00 0.00 54.79 53.80 2dsa n ASP 59 Cb 0.48 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 2dsa n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dsa n GLY 60 N 0.23 2.86 3.74 6.12 0.00 -0.06 -5.09 105.19 113.00 2dsa n GLY 60 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2dsa n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dsa s ARG 61 N -0.47 2.84 0.21 1.61 0.52 -1.26 -4.69 118.95 117.72 2dsa s ARG 61 Ca 0.00 2.01 0.11 0.00 -0.52 0.00 0.00 55.73 57.33 2dsa s ARG 61 Cb 0.00 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 2dsa s ARG 61 CO 0.00 -1.36 -0.22 0.95 0.02 0.00 0.00 175.30 174.70 2dsa s THR 62 N -1.44 2.26 -0.03 0.02 -4.23 -1.26 -0.29 115.64 110.66 2dsa s THR 62 Ca 0.78 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2dsa s THR 62 Cb -0.35 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2dsa s THR 62 CO 0.39 -0.24 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.98 2dsa s LEU 63 N -2.89 1.39 0.51 4.79 2.96 -0.15 -5.00 118.68 120.29 2dsa s LEU 63 Ca 0.22 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2dsa s LEU 63 Cb -0.07 -0.32 -0.00 0.00 0.50 0.00 0.00 46.19 46.31 2dsa s LEU 63 CO 0.10 -0.05 0.13 0.42 -1.32 0.00 0.00 176.35 175.63 2dsa s THR 64 N 0.76 1.41 0.02 3.68 -4.23 -1.26 -1.10 115.64 114.92 2dsa s THR 64 Ca -0.09 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2dsa s THR 64 Cb -0.12 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2dsa s THR 64 CO -0.01 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.45 2dsa n GLU 65 N -1.40 -1.51 -0.28 3.99 -0.58 -1.26 -4.37 120.64 115.23 2dsa n GLU 65 Ca -0.12 1.45 -0.03 0.00 -0.42 0.00 0.00 57.16 58.03 2dsa n GLU 65 Cb 0.66 -1.57 0.03 0.00 -0.57 0.00 0.00 31.44 29.98 2dsa n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2dsa h GLY 66 N 1.22 0.01 1.09 0.62 0.00 -1.94 -1.36 103.07 102.70 2dsa h GLY 66 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 47.33 47.89 2dsa h GLY 66 CO 0.00 -0.21 0.38 -2.55 0.00 0.00 0.00 176.54 174.16 2dsa h PRO 67 N -0.09 0.35 -0.00 4.80 0.11 -1.90 -0.62 132.00 134.64 2dsa h PRO 67 Ca 0.29 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 2dsa h PRO 67 Cb 0.57 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2dsa h PRO 67 CO -0.82 0.23 -0.01 0.00 -0.21 0.00 0.00 178.00 177.20 2dsa h ALA 68 N 1.71 0.01 -0.19 -0.75 0.00 -1.52 -3.19 119.26 115.33 2dsa h ALA 68 Ca 0.26 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dsa h ALA 68 Cb 0.55 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2dsa h ALA 68 CO -0.07 -0.20 -0.16 0.82 0.00 0.00 0.00 179.25 179.64 2dsa h ILE 69 N -0.55 0.55 0.00 0.00 2.04 -1.04 -1.31 117.51 117.20 2dsa h ILE 69 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2dsa h ILE 69 Cb 0.58 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2dsa h ILE 69 CO 0.00 0.00 -0.23 -0.37 0.00 0.00 0.00 178.15 177.55 2dsa h VAL 70 N -0.17 0.70 -0.06 1.67 -1.51 -1.25 -0.32 116.25 115.31 2dsa h VAL 70 Ca 0.12 -0.98 -0.16 0.00 -1.23 0.00 0.00 66.70 64.45 2dsa h VAL 70 Cb 0.35 1.62 0.01 0.00 -2.13 0.00 0.00 31.29 31.14 2dsa h VAL 70 CO -0.29 0.22 -0.58 1.56 -1.23 0.00 0.00 177.57 177.25 2dsa h GLN 71 N 0.00 0.50 -0.13 5.19 4.20 -1.49 -1.97 115.11 121.41 2dsa h GLN 71 Ca -0.00 -0.46 0.04 0.00 0.06 0.00 0.00 58.65 58.29 2dsa h GLN 71 Cb 0.60 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.44 2dsa h GLN 71 CO 0.03 1.09 -0.20 -0.92 -0.67 0.00 0.00 178.83 178.17 2dsa h TYR 72 N 0.06 -0.51 -0.15 2.96 5.03 -0.62 -1.32 116.97 122.42 2dsa h TYR 72 Ca -0.06 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.32 2dsa h TYR 72 Cb 1.25 0.25 -0.05 0.00 1.55 0.00 0.00 36.73 39.73 2dsa h TYR 72 CO 0.12 -0.27 -0.16 0.28 -1.32 0.00 0.00 178.16 176.81 2dsa h VAL 73 N -0.25 0.57 -0.60 1.81 2.07 -1.11 -2.21 116.25 116.53 2dsa h VAL 73 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 2dsa h VAL 73 Cb 0.39 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2dsa h VAL 73 CO -0.28 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.71 2dsa h ALA 74 N 0.87 1.64 0.00 1.67 0.00 -1.23 -2.23 119.26 119.97 2dsa h ALA 74 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dsa h ALA 74 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dsa h ALA 74 CO -0.26 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 178.86 2dsa h ASP 75 N 0.75 0.00 1.02 0.00 3.45 -0.62 -2.68 116.42 118.33 2dsa h ASP 75 Ca 0.23 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.63 2dsa h ASP 75 Cb 0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 2dsa h ASP 75 CO -0.06 0.00 -0.28 1.56 -1.57 0.00 0.00 179.24 178.89 2dsa h GLN 76 N 0.00 0.00 -2.10 3.56 1.08 -1.12 -3.37 115.11 113.16 2dsa h GLN 76 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 2dsa h GLN 76 Cb 0.48 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.51 2dsa h GLN 76 CO 0.00 0.28 -0.99 0.28 -0.95 0.00 0.00 178.83 177.46 2dsa n VAL 77 N -3.39 -0.12 0.25 -0.54 0.31 -1.01 -4.97 118.33 108.86 2dsa n VAL 77 Ca 0.00 -4.20 0.17 0.00 -0.01 0.00 0.00 64.34 60.31 2dsa n VAL 77 Cb 0.49 -1.96 0.89 0.00 -0.91 0.00 0.00 33.84 32.35 2dsa n VAL 77 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2dsa h PRO 78 N 4.22 0.00 0.00 5.55 0.13 -1.74 -1.15 132.00 139.01 2dsa h PRO 78 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 2dsa h PRO 78 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2dsa h PRO 78 CO 0.53 0.00 -0.18 0.78 -0.23 0.00 0.00 178.00 178.90 2dsa h GLY 79 N 0.00 0.00 2.00 1.56 0.00 -1.93 -2.66 103.07 102.04 2dsa h GLY 79 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2dsa h GLY 79 CO -0.00 0.00 -0.07 0.50 0.00 0.00 0.00 176.54 176.97 2dsa h LYS 80 N 0.00 0.00 -5.70 4.80 1.79 -1.57 -3.47 116.57 112.41 2dsa h LYS 80 Ca -0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 2dsa h LYS 80 Cb 0.41 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.20 2dsa h LYS 80 CO 0.02 0.07 -0.68 1.04 -1.08 0.00 0.00 179.45 178.83 2dsa n GLN 81 N -3.14 -7.60 0.07 3.15 6.02 -1.00 -4.90 117.38 109.98 2dsa n GLN 81 Ca 0.02 0.81 0.13 0.00 -0.01 0.00 0.00 57.00 57.95 2dsa n GLN 81 Cb 0.47 -5.80 0.47 0.00 1.02 0.00 0.00 30.24 26.40 2dsa n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2dsa n LEU 82 N -4.77 0.49 -3.74 1.08 4.77 -1.26 -4.71 117.00 108.86 2dsa n LEU 82 Ca -0.04 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 2dsa n LEU 82 Cb 0.58 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2dsa n LEU 82 CO 0.63 -0.19 0.07 0.00 -1.33 0.00 0.00 177.39 176.56 2dsa s ALA 83 N -3.10 -0.93 0.83 -1.18 0.00 -1.26 -0.87 121.76 115.25 2dsa s ALA 83 Ca 0.10 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 2dsa s ALA 83 Cb 0.14 -0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.09 2dsa s ALA 83 CO 0.52 -0.23 1.18 -2.14 0.00 0.00 0.00 175.76 175.09 2dsa s PRO 84 N -0.61 1.55 0.28 0.00 0.02 -1.26 -4.92 135.00 130.06 2dsa s PRO 84 Ca -0.07 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 2dsa s PRO 84 Cb -0.04 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.59 2dsa s PRO 84 CO 0.03 -2.26 1.52 0.00 -0.33 0.00 0.00 177.00 175.95 2dsa n ALA 85 N -3.50 2.00 -1.63 -1.55 0.00 -1.26 -4.64 120.51 109.92 2dsa n ALA 85 Ca 0.13 0.39 -0.45 0.00 0.00 0.00 0.00 53.44 53.50 2dsa n ALA 85 Cb 0.51 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 2dsa n ALA 85 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dsa n ASN 86 N 2.10 2.07 0.00 0.00 3.02 -1.26 -1.71 115.26 119.47 2dsa n ASN 86 Ca 0.09 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 2dsa n ASN 86 Cb 0.35 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 2dsa n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dsa n GLY 87 N 1.64 2.43 3.86 7.41 0.00 -1.26 -5.04 105.19 114.23 2dsa n GLY 87 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2dsa n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dsa s SER 88 N -2.21 6.55 0.20 1.61 1.04 -0.69 -4.99 113.70 115.21 2dsa s SER 88 Ca 0.00 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 2dsa s SER 88 Cb 0.00 -2.40 0.16 0.00 0.10 0.00 0.00 66.02 63.88 2dsa s SER 88 CO 0.00 -0.49 1.85 0.15 0.98 0.00 0.00 173.24 175.73 2dsa h PHE 89 N 1.06 0.79 0.00 5.02 3.57 -1.96 -2.32 116.94 123.10 2dsa h PHE 89 Ca -0.47 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 2dsa h PHE 89 Cb 1.19 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 2dsa h PHE 89 CO 0.62 0.47 -0.04 0.93 -2.23 0.00 0.00 178.31 178.06 2dsa h GLU 90 N 0.84 0.00 -0.43 1.11 4.39 -1.94 -1.68 114.58 116.87 2dsa h GLU 90 Ca 0.26 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 2dsa h GLU 90 Cb -0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2dsa h GLU 90 CO -0.09 0.04 -0.11 -0.09 -1.16 0.00 0.00 179.01 177.59 2dsa h ARG 91 N 0.00 0.83 -0.48 2.33 9.65 -1.62 -0.17 114.38 124.92 2dsa h ARG 91 Ca -0.00 -0.32 -0.08 0.00 -1.10 0.00 0.00 59.98 58.48 2dsa h ARG 91 Cb 0.17 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 2dsa h ARG 91 CO 0.00 0.95 -0.03 1.88 2.80 0.00 0.00 179.97 185.57 2dsa h TYR 92 N 0.65 0.88 -0.69 2.20 -1.99 -1.36 -2.09 116.97 114.57 2dsa h TYR 92 Ca 0.11 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 2dsa h TYR 92 Cb 0.65 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.11 2dsa h TYR 92 CO 0.05 0.82 0.37 1.25 -0.00 0.00 0.00 178.16 180.66 2dsa h HIS 93 N 0.75 0.94 -0.54 4.88 2.76 -1.24 -0.18 115.15 122.52 2dsa h HIS 93 Ca 0.14 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2dsa h HIS 93 Cb 0.51 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 2dsa h HIS 93 CO 0.03 0.66 0.28 1.25 -1.30 0.00 0.00 177.93 178.85 2dsa h LEU 94 N 0.96 0.69 -0.91 0.26 5.85 -0.58 -2.09 115.31 119.51 2dsa h LEU 94 Ca 0.24 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2dsa h LEU 94 Cb 0.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2dsa h LEU 94 CO -0.04 0.61 0.11 1.56 -0.34 0.00 0.00 178.44 180.34 2dsa h GLN 95 N 0.73 0.92 0.34 1.25 4.20 -1.02 0.23 115.11 121.75 2dsa h GLN 95 Ca 0.19 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2dsa h GLN 95 Cb 0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2dsa h GLN 95 CO -0.03 0.84 -0.29 0.37 -0.67 0.00 0.00 178.83 179.05 2dsa h GLN 96 N 0.87 -0.62 -0.93 1.46 4.15 -0.95 0.36 115.11 119.46 2dsa h GLN 96 Ca 0.18 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 2dsa h GLN 96 Cb 0.36 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2dsa h GLN 96 CO 0.00 -0.41 0.56 -1.49 -1.93 0.00 0.00 178.83 175.56 2dsa h TRP 97 N -0.64 1.22 -0.61 3.99 4.06 -0.97 -0.54 115.95 122.46 2dsa h TRP 97 Ca -0.02 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.85 2dsa h TRP 97 Cb 0.57 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2dsa h TRP 97 CO -0.16 0.81 0.11 -0.07 -3.56 0.00 0.00 178.44 175.57 2dsa h LEU 98 N 1.28 0.97 -0.57 -4.49 3.38 -0.39 -0.48 115.31 115.00 2dsa h LEU 98 Ca 0.33 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2dsa h LEU 98 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2dsa h LEU 98 CO -0.06 0.97 -0.29 -1.13 0.09 0.00 0.00 178.44 178.02 2dsa h ASN 99 N 0.92 0.86 -0.15 -0.43 -1.24 -0.66 -2.46 115.58 112.42 2dsa h ASN 99 Ca 0.19 -0.35 0.04 0.00 0.71 0.00 0.00 56.30 56.89 2dsa h ASN 99 Cb 0.41 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 2dsa h ASN 99 CO 0.01 1.09 -0.10 0.15 -1.29 0.00 0.00 177.43 177.29 2dsa h PHE 100 N 0.71 -0.23 -0.70 0.67 3.57 -0.85 0.54 116.94 120.64 2dsa h PHE 100 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2dsa h PHE 100 Cb 0.83 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2dsa h PHE 100 CO 0.05 -0.15 0.43 0.82 -2.23 0.00 0.00 178.31 177.23 2dsa h ILE 101 N -0.10 1.20 0.07 1.41 2.04 -1.03 0.96 117.51 122.05 2dsa h ILE 101 Ca 0.09 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2dsa h ILE 101 Cb 0.23 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2dsa h ILE 101 CO -0.21 0.20 -0.03 -1.28 0.00 0.00 0.00 178.15 176.83 2dsa h SER 102 N 0.96 -0.07 0.51 1.72 0.87 -1.26 0.36 113.55 116.63 2dsa h SER 102 Ca 0.25 -0.39 -0.29 0.00 -1.23 0.00 0.00 61.79 60.13 2dsa h SER 102 Cb -0.05 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2dsa h SER 102 CO -0.05 0.36 -1.53 0.77 -0.53 0.00 0.00 176.83 175.86 2dsa h SER 103 N -0.53 0.26 0.08 6.23 4.64 -0.88 -2.58 113.55 120.77 2dsa h SER 103 Ca -0.01 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 60.88 2dsa h SER 103 Cb 0.46 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2dsa h SER 103 CO 0.01 1.33 -1.96 -0.62 -0.87 0.00 0.00 176.83 174.72 2dsa n GLU 104 N -3.36 0.66 0.01 4.77 -0.58 0.32 -4.45 120.64 118.00 2dsa n GLU 104 Ca -0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 57.16 56.42 2dsa n GLU 104 Cb 1.03 -1.55 -0.00 0.00 -0.57 0.00 0.00 31.44 30.35 2dsa n GLU 104 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dsa n LEU 105 N -2.35 0.73 -0.09 -4.62 4.77 -0.83 -4.65 117.00 109.97 2dsa n LEU 105 Ca -0.07 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 2dsa n LEU 105 Cb 0.63 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2dsa n LEU 105 CO 0.45 -0.58 0.72 -0.74 -1.33 0.00 0.00 177.39 175.91 2dsa h HIS 106 N -0.13 -0.52 0.00 -1.77 2.76 -0.40 -1.34 115.15 113.75 2dsa h HIS 106 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2dsa h HIS 106 Cb 0.13 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2dsa h HIS 106 CO -0.06 -0.28 0.00 0.87 -1.30 0.00 0.00 177.93 177.17 2dsa h LYS 107 N -0.16 0.00 0.00 5.26 1.79 -1.68 -1.75 116.57 120.04 2dsa h LYS 107 Ca 0.17 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.46 2dsa h LYS 107 Cb 0.42 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 2dsa h LYS 107 CO -0.43 0.00 -1.05 0.77 -1.08 0.00 0.00 179.45 177.67 2dsa h SER 108 N 0.00 0.00 0.43 0.86 0.02 -1.53 -3.26 113.55 110.07 2dsa h SER 108 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2dsa h SER 108 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2dsa h SER 108 CO 0.00 0.73 -0.42 -0.26 -1.14 0.00 0.00 176.83 175.73 2dsa h PHE 109 N 0.00 0.00 -0.41 3.45 0.04 -0.60 -3.37 116.94 116.05 2dsa h PHE 109 Ca -0.09 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.76 2dsa h PHE 109 Cb 1.63 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.71 2dsa h PHE 109 CO 0.00 0.42 -0.05 0.77 -0.60 0.00 0.00 178.31 178.85 2dsa h SER 110 N 0.00 -0.27 0.39 2.17 0.02 -1.53 -2.03 113.55 112.31 2dsa h SER 110 Ca -0.00 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2dsa h SER 110 Cb 0.75 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2dsa h SER 110 CO 0.05 -0.09 -0.20 -0.65 -1.14 0.00 0.00 176.83 174.81 2dsa h PRO 111 N 0.05 0.00 0.00 3.45 0.11 -1.77 -2.73 132.00 131.12 2dsa h PRO 111 Ca 0.20 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.26 2dsa h PRO 111 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2dsa h PRO 111 CO -0.37 0.20 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.29 2dsa h LEU 112 N 0.00 0.00 -1.13 2.35 3.38 -1.57 -2.31 115.31 116.03 2dsa h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dsa h LEU 112 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2dsa h LEU 112 CO 0.03 0.25 0.00 0.49 0.09 0.00 0.00 178.44 179.30 2dsa n PHE 113 N -3.81 0.30 -3.70 1.13 3.01 -1.03 -4.80 117.46 108.56 2dsa n PHE 113 Ca -0.01 -0.15 -0.37 0.00 1.01 0.00 0.00 57.45 57.92 2dsa n PHE 113 Cb 0.35 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.70 2dsa n PHE 113 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2dsa s ASN 114 N -1.34 5.41 0.21 4.37 2.47 -0.87 -4.99 114.94 120.21 2dsa s ASN 114 Ca 0.28 -0.19 -0.09 0.00 0.42 0.00 0.00 52.86 53.28 2dsa s ASN 114 Cb 0.15 -1.98 0.21 0.00 -1.45 0.00 0.00 41.25 38.17 2dsa s ASN 114 CO 0.22 -0.06 1.85 1.55 -3.72 0.00 0.00 177.10 176.95 2dsa h PRO 115 N 8.28 0.88 0.00 0.43 0.13 -1.87 -3.17 132.00 136.69 2dsa h PRO 115 Ca -0.37 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2dsa h PRO 115 Cb 1.18 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dsa h PRO 115 CO 0.57 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 2dsa n ALA 116 N -2.32 2.48 -2.34 -0.56 0.00 -1.26 -4.78 120.51 111.73 2dsa n ALA 116 Ca 0.08 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2dsa n ALA 116 Cb 0.09 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 2dsa n ALA 116 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dsa s SER 117 N -2.17 7.26 0.60 0.00 0.01 -1.20 -5.03 113.70 113.18 2dsa s SER 117 Ca 0.37 1.94 -0.17 0.00 1.31 0.00 0.00 55.95 59.39 2dsa s SER 117 Cb 0.19 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2dsa s SER 117 CO 0.35 -0.29 1.13 -0.94 0.41 0.00 0.00 173.24 173.90 2dsa s SER 118 N 0.51 5.37 0.60 2.44 1.04 -1.26 -4.88 113.70 117.52 2dsa s SER 118 Ca 0.53 2.11 0.39 0.00 0.48 0.00 0.00 55.95 59.45 2dsa s SER 118 Cb -0.27 -2.57 1.96 0.00 0.10 0.00 0.00 66.02 65.25 2dsa s SER 118 CO 0.31 -1.45 2.19 0.44 0.98 0.00 0.00 173.24 175.70 2dsa h ASP 119 N 0.60 0.00 -0.04 7.02 5.19 -1.96 -1.94 116.42 125.28 2dsa h ASP 119 Ca -0.48 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.91 2dsa h ASP 119 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 2dsa h ASP 119 CO 0.55 0.00 -0.05 -0.33 -3.12 0.00 0.00 179.24 176.29 2dsa h GLU 120 N 0.00 0.11 -0.22 3.56 4.39 -1.99 -1.63 114.58 118.79 2dsa h GLU 120 Ca 0.00 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2dsa h GLU 120 Cb 0.20 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2dsa h GLU 120 CO 0.00 0.60 -0.05 2.35 -1.16 0.00 0.00 179.01 180.75 2dsa h TRP 121 N -0.37 -0.10 -0.56 4.33 2.91 -1.74 -2.17 115.95 118.23 2dsa h TRP 121 Ca 0.00 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.98 2dsa h TRP 121 Cb 0.59 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.29 2dsa h TRP 121 CO 0.10 -0.09 0.10 0.87 -1.03 0.00 0.00 178.44 178.40 2dsa h LYS 122 N 0.01 0.89 -0.33 2.65 1.57 -1.46 -1.86 116.57 118.04 2dsa h LYS 122 Ca 0.11 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 2dsa h LYS 122 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2dsa h LYS 122 CO -0.22 0.82 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.23 2dsa h ASN 123 N 0.85 0.77 -0.06 0.86 2.35 -1.09 -0.94 115.58 118.33 2dsa h ASN 123 Ca 0.18 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2dsa h ASN 123 Cb 0.36 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2dsa h ASN 123 CO 0.01 1.04 0.00 0.00 -1.65 0.00 0.00 177.43 176.83 2dsa h ALA 124 N 1.00 0.08 -0.87 -0.83 0.00 -1.18 -2.56 119.26 114.90 2dsa h ALA 124 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dsa h ALA 124 Cb 0.88 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2dsa h ALA 124 CO 0.08 -0.25 0.58 0.28 0.00 0.00 0.00 179.25 179.93 2dsa h VAL 125 N -0.18 1.20 0.00 0.00 2.07 -1.34 -0.96 116.25 117.05 2dsa h VAL 125 Ca 0.02 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2dsa h VAL 125 Cb 0.33 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2dsa h VAL 125 CO 0.00 0.21 -0.23 0.03 0.02 0.00 0.00 177.57 177.61 2dsa h ARG 126 N 1.16 0.00 0.03 1.57 3.08 -1.08 -1.68 114.38 117.46 2dsa h ARG 126 Ca 0.32 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.22 2dsa h ARG 126 Cb -0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.97 2dsa h ARG 126 CO -0.08 0.23 -0.64 0.37 -1.07 0.00 0.00 179.97 178.78 2dsa h GLN 127 N 0.00 0.38 -0.71 0.04 5.75 -0.92 -2.27 115.11 117.39 2dsa h GLN 127 Ca -0.00 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2dsa h GLN 127 Cb 0.43 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2dsa h GLN 127 CO 0.03 1.13 0.45 0.77 -2.65 0.00 0.00 178.83 178.56 2dsa h SER 128 N -0.17 0.82 -0.53 -0.69 0.02 -1.08 -2.77 113.55 109.16 2dsa h SER 128 Ca -0.09 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2dsa h SER 128 Cb 1.37 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2dsa h SER 128 CO 0.12 0.62 0.29 -0.07 -1.14 0.00 0.00 176.83 176.65 2dsa h LEU 129 N 0.96 0.67 -0.78 5.07 3.38 -1.36 -0.37 115.31 122.88 2dsa h LEU 129 Ca 0.26 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.25 2dsa h LEU 129 Cb -0.08 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.42 2dsa h LEU 129 CO -0.05 0.57 0.38 -1.13 0.09 0.00 0.00 178.44 178.30 2dsa h ASN 130 N 0.71 0.47 -0.08 -0.43 -0.73 -1.18 0.26 115.58 114.60 2dsa h ASN 130 Ca 0.19 0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 2dsa h ASN 130 Cb 0.05 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 2dsa h ASN 130 CO -0.03 0.23 -0.12 0.74 -0.37 0.00 0.00 177.43 177.88 2dsa h THR 131 N 0.60 1.39 -0.28 -3.57 2.02 -1.19 -2.89 112.91 108.99 2dsa h THR 131 Ca 0.41 -1.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 2dsa h THR 131 Cb 0.51 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2dsa h THR 131 CO -0.32 0.38 -0.06 -0.09 0.37 0.00 0.00 175.52 175.79 2dsa h ARG 132 N -0.22 0.54 -0.35 6.66 9.65 -0.63 -2.44 114.38 127.59 2dsa h ARG 132 Ca 0.01 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2dsa h ARG 132 Cb 0.67 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2dsa h ARG 132 CO 0.03 0.74 0.23 -0.07 2.80 0.00 0.00 179.97 183.70 2dsa h LEU 133 N 0.29 0.40 -0.41 3.80 3.38 -0.60 -1.63 115.31 120.54 2dsa h LEU 133 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2dsa h LEU 133 Cb 0.54 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2dsa h LEU 133 CO 0.03 0.29 0.26 1.23 0.09 0.00 0.00 178.44 180.33 2dsa h GLY 134 N 0.47 0.57 0.84 0.83 0.00 -1.26 -0.13 103.07 104.40 2dsa h GLY 134 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.30 2dsa h GLY 134 CO -0.03 0.19 0.58 -1.61 0.00 0.00 0.00 176.54 175.67 2dsa h GLN 135 N 0.52 1.08 -0.26 4.80 4.15 -0.85 -1.24 115.11 123.32 2dsa h GLN 135 Ca 0.16 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.35 2dsa h GLN 135 Cb -0.03 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.41 2dsa h GLN 135 CO -0.05 0.72 -0.48 0.28 -1.93 0.00 0.00 178.83 177.36 2dsa h VAL 136 N 1.12 1.30 -0.79 2.39 2.07 -1.22 -2.36 116.25 118.75 2dsa h VAL 136 Ca 0.37 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2dsa h VAL 136 Cb 0.04 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2dsa h VAL 136 CO -0.13 0.54 0.41 0.00 0.02 0.00 0.00 177.57 178.41 2dsa h ALA 137 N 0.90 1.01 -0.75 1.67 0.00 -0.63 -1.23 119.26 120.22 2dsa h ALA 137 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2dsa h ALA 137 Cb 1.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2dsa h ALA 137 CO 0.10 0.54 0.32 0.00 0.00 0.00 0.00 179.25 180.21 2dsa h ARG 138 N 1.10 1.10 -0.85 0.00 3.08 -1.14 -2.23 114.38 115.43 2dsa h ARG 138 Ca 0.27 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2dsa h ARG 138 Cb 0.06 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 2dsa h ARG 138 CO -0.04 0.88 0.49 0.37 -1.07 0.00 0.00 179.97 180.60 2dsa h GLN 139 N 1.08 1.17 -0.59 0.04 5.75 -0.85 -2.94 115.11 118.77 2dsa h GLN 139 Ca 0.25 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2dsa h GLN 139 Cb 0.18 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2dsa h GLN 139 CO -0.02 0.84 0.00 1.28 -2.65 0.00 0.00 178.83 178.27 2dsa n LEU 140 N -4.35 3.23 0.08 -2.39 4.77 -0.52 -4.30 117.00 113.52 2dsa n LEU 140 Ca 0.09 -1.61 -0.22 0.00 -0.03 0.00 0.00 56.01 54.24 2dsa n LEU 140 Cb 0.08 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 40.63 2dsa n LEU 140 CO 0.38 0.77 -0.05 -0.08 -1.33 0.00 0.00 177.39 177.08 2dsa h GLU 141 N 3.40 0.62 -0.18 3.23 4.81 -1.22 -3.36 114.58 121.88 2dsa h GLU 141 Ca 0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 2dsa h GLU 141 Cb 0.84 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2dsa h GLU 141 CO 0.02 1.37 0.00 0.72 -0.73 0.00 0.00 179.01 180.39 2dsa n HIS 142 N -3.83 0.25 -3.78 0.92 8.25 -1.26 -4.99 115.22 110.78 2dsa n HIS 142 Ca -0.14 -0.51 -0.13 0.00 -0.26 0.00 0.00 57.72 56.69 2dsa n HIS 142 Cb 0.96 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.93 2dsa n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dsa s ALA 143 N -1.05 -0.68 0.24 -1.41 0.00 -1.26 -5.07 121.76 112.53 2dsa s ALA 143 Ca 0.13 0.55 0.15 0.00 0.00 0.00 0.00 51.96 52.79 2dsa s ALA 143 Cb 0.07 -0.24 0.61 0.00 0.00 0.00 0.00 23.12 23.56 2dsa s ALA 143 CO 0.08 -0.18 1.72 -1.00 0.00 0.00 0.00 175.76 176.38 2dsa h PRO 144 N 4.97 0.00 -4.85 0.00 0.13 -1.84 -3.41 132.00 127.00 2dsa h PRO 144 Ca -0.28 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.54 2dsa h PRO 144 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2dsa h PRO 144 CO 0.36 0.45 -0.65 0.71 -0.23 0.00 0.00 178.00 178.63 2dsa s TYR 145 N -3.71 1.33 0.31 1.56 1.51 -0.60 -4.89 117.35 112.86 2dsa s TYR 145 Ca -0.01 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.01 2dsa s TYR 145 Cb 0.12 -0.76 0.55 0.00 -0.11 0.00 0.00 41.96 41.76 2dsa s TYR 145 CO 0.71 -0.23 1.92 -0.07 -1.11 0.00 0.00 175.55 176.78 2dsa h LEU 146 N 2.59 0.87 -2.38 -1.29 4.07 -1.89 -1.88 115.31 115.40 2dsa h LEU 146 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2dsa h LEU 146 Cb 1.22 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2dsa h LEU 146 CO 0.62 0.57 0.00 0.18 -1.08 0.00 0.00 178.44 178.73 2dsa n LEU 147 N -4.48 3.52 0.00 1.67 4.77 -1.26 -5.04 117.00 116.17 2dsa n LEU 147 Ca 0.13 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2dsa n LEU 147 Cb 0.19 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2dsa n LEU 147 CO 0.33 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2dsa n GLY 148 N 1.54 0.20 0.12 -0.72 0.00 -0.71 -4.68 105.19 100.95 2dsa n GLY 148 Ca 0.21 -1.24 0.12 0.00 0.00 0.00 0.00 46.02 45.12 2dsa n GLY 148 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dsa h ASP 149 N 0.00 0.00 -3.78 1.61 3.32 -1.97 -1.60 116.42 114.00 2dsa h ASP 149 Ca 0.00 -0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.35 2dsa h ASP 149 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 2dsa h ASP 149 CO 0.00 0.03 -0.55 -1.58 -1.72 0.00 0.00 179.24 175.42 2dsa s GLN 150 N -3.19 3.86 0.24 3.56 2.00 -1.26 -4.88 119.66 119.99 2dsa s GLN 150 Ca 0.07 -0.37 -0.31 0.00 -2.00 0.00 0.00 55.36 52.75 2dsa s GLN 150 Cb 0.10 -3.53 -0.11 0.00 0.80 0.00 0.00 33.01 30.27 2dsa s GLN 150 CO 0.68 -0.15 1.63 -1.17 -0.50 0.00 0.00 175.29 175.77 2dsa s LEU 151 N 1.63 4.36 0.39 3.68 0.20 -1.26 -4.56 118.68 123.13 2dsa s LEU 151 Ca 0.07 2.84 0.04 0.00 0.69 0.00 0.00 54.13 57.77 2dsa s LEU 151 Cb -0.15 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 41.95 2dsa s LEU 151 CO 0.08 -0.90 0.06 -0.94 -0.29 0.00 0.00 176.35 174.36 2dsa s SER 152 N 0.84 3.01 0.65 3.68 1.04 -1.26 -4.59 113.70 117.07 2dsa s SER 152 Ca 0.68 -1.51 0.42 0.00 0.48 0.00 0.00 55.95 56.02 2dsa s SER 152 Cb -0.47 0.15 2.31 0.00 0.10 0.00 0.00 66.02 68.11 2dsa s SER 152 CO 0.39 -0.73 2.35 -0.37 0.98 0.00 0.00 173.24 175.86 2dsa h VAL 153 N 1.84 0.10 -0.55 5.02 -1.51 -1.36 -2.02 116.25 117.76 2dsa h VAL 153 Ca -0.40 -0.01 -0.08 0.00 -1.23 0.00 0.00 66.70 64.98 2dsa h VAL 153 Cb 1.26 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 2dsa h VAL 153 CO 0.68 0.00 0.02 0.00 -1.23 0.00 0.00 177.57 177.04 2dsa h ALA 154 N 2.00 0.99 -0.49 5.19 0.00 -1.90 -1.35 119.26 123.69 2dsa h ALA 154 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2dsa h ALA 154 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dsa h ALA 154 CO 0.00 0.62 -0.01 -0.44 0.00 0.00 0.00 179.25 179.42 2dsa h ASP 155 N 0.86 0.86 -0.27 0.00 5.19 -1.78 -0.33 116.42 120.95 2dsa h ASP 155 Ca 0.16 -0.31 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2dsa h ASP 155 Cb 0.49 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 2dsa h ASP 155 CO 0.02 0.96 0.14 0.40 -3.12 0.00 0.00 179.24 177.64 2dsa h ILE 156 N 0.73 0.99 -0.14 0.35 2.04 -1.40 0.42 117.51 120.51 2dsa h ILE 156 Ca 0.14 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2dsa h ILE 156 Cb 0.53 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2dsa h ILE 156 CO 0.03 0.05 0.07 0.22 0.00 0.00 0.00 178.15 178.52 2dsa h TYR 157 N 0.29 0.14 -0.54 1.37 3.20 -1.09 -2.26 116.97 118.07 2dsa h TYR 157 Ca 0.11 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.03 2dsa h TYR 157 Cb 0.03 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 2dsa h TYR 157 CO -0.10 0.08 0.29 1.25 -1.64 0.00 0.00 178.16 178.05 2dsa h LEU 158 N 0.16 0.44 -1.34 2.82 5.85 -0.73 -2.07 115.31 120.44 2dsa h LEU 158 Ca 0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2dsa h LEU 158 Cb 0.00 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2dsa h LEU 158 CO -0.03 0.30 0.49 0.15 -0.34 0.00 0.00 178.44 179.01 2dsa h PHE 159 N 0.57 0.81 -0.07 1.25 3.57 -0.68 0.24 116.94 122.62 2dsa h PHE 159 Ca 0.24 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2dsa h PHE 159 Cb 0.11 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2dsa h PHE 159 CO -0.09 0.43 -0.17 0.28 -2.23 0.00 0.00 178.31 176.53 2dsa h VAL 160 N 0.80 1.41 -0.22 1.41 2.07 -0.80 -1.98 116.25 118.95 2dsa h VAL 160 Ca 0.32 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2dsa h VAL 160 Cb 0.23 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2dsa h VAL 160 CO -0.11 0.42 0.14 0.58 0.02 0.00 0.00 177.57 178.63 2dsa h VAL 161 N -0.24 1.07 -0.79 2.57 2.07 -1.14 -2.51 116.25 117.28 2dsa h VAL 161 Ca -0.00 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2dsa h VAL 161 Cb 0.77 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2dsa h VAL 161 CO 0.04 0.07 0.51 -0.07 0.02 0.00 0.00 177.57 178.14 2dsa h LEU 162 N 0.29 0.69 -2.01 2.57 3.38 -0.97 -1.05 115.31 118.21 2dsa h LEU 162 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dsa h LEU 162 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2dsa h LEU 162 CO -0.02 0.42 0.10 1.23 0.09 0.00 0.00 178.44 180.27 2dsa h GLY 163 N 0.77 0.00 2.00 0.83 0.00 -0.89 -1.97 103.07 103.81 2dsa h GLY 163 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2dsa h GLY 163 CO -0.13 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.20 2dsa n TRP 164 N -2.63 0.78 -0.17 5.60 8.01 -0.40 -4.16 117.44 124.48 2dsa n TRP 164 Ca -0.02 0.23 -0.06 0.00 -1.31 0.00 0.00 57.50 56.34 2dsa n TRP 164 Cb 0.15 -0.88 0.10 0.00 -2.01 0.00 0.00 31.31 28.67 2dsa n TRP 164 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2dsa h SER 165 N 0.00 0.92 -0.66 -0.99 4.64 -1.51 -2.43 113.55 113.52 2dsa h SER 165 Ca 0.00 -0.23 0.06 0.00 -0.47 0.00 0.00 61.79 61.15 2dsa h SER 165 Cb 0.68 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 2dsa h SER 165 CO 0.00 0.96 0.43 0.00 -0.87 0.00 0.00 176.83 177.35 2dsa h ALA 166 N 1.14 1.78 0.00 5.18 0.00 -1.75 0.12 119.26 125.73 2dsa h ALA 166 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2dsa h ALA 166 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2dsa h ALA 166 CO 0.02 0.12 -0.30 1.88 0.00 0.00 0.00 179.25 180.96 2dsa h TYR 167 N 0.65 0.00 -0.14 0.00 -1.99 -1.69 -3.23 116.97 110.57 2dsa h TYR 167 Ca 0.28 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.98 2dsa h TYR 167 Cb 0.28 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 2dsa h TYR 167 CO -0.00 0.22 -0.08 1.33 -0.00 0.00 0.00 178.16 179.63 2dsa n VAL 168 N -3.12 2.17 -2.22 -2.88 0.24 -1.01 -4.99 118.33 106.52 2dsa n VAL 168 Ca 0.03 -2.36 -0.20 0.00 -2.04 0.00 0.00 64.34 59.76 2dsa n VAL 168 Cb 0.62 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 2dsa n VAL 168 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dsa n ASN 169 N -1.06 -5.54 -4.68 -1.34 3.02 -0.21 -4.97 115.26 100.49 2dsa n ASN 169 Ca 0.21 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 2dsa n ASN 169 Cb 0.79 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 35.25 2dsa n ASN 169 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dsa s ILE 170 N -2.91 4.85 -0.12 2.41 1.01 0.25 -5.01 121.20 121.68 2dsa s ILE 170 Ca 0.00 1.76 -0.20 0.00 0.00 0.00 0.00 60.65 62.20 2dsa s ILE 170 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2dsa s ILE 170 CO 0.00 0.01 0.58 -0.62 0.00 0.00 0.00 174.94 174.92 2dsa s ASP 171 N 1.13 6.78 -0.07 3.58 3.68 -1.26 -4.30 116.67 126.22 2dsa s ASP 171 Ca 0.41 0.94 0.20 0.00 2.13 0.00 0.00 52.55 56.23 2dsa s ASP 171 Cb -0.17 -2.34 0.68 0.00 -1.45 0.00 0.00 42.92 39.64 2dsa s ASP 171 CO 0.14 -0.10 1.59 0.18 0.13 0.00 0.00 175.17 177.10 2dsa n LEU 172 N 4.02 4.42 -0.25 -1.34 4.77 -1.26 -4.58 117.00 122.79 2dsa n LEU 172 Ca -0.04 -2.27 0.07 0.00 -0.03 0.00 0.00 56.01 53.73 2dsa n LEU 172 Cb 0.51 -0.54 0.31 0.00 -2.33 0.00 0.00 43.42 41.38 2dsa n LEU 172 CO 0.45 0.88 1.23 0.28 -1.33 0.00 0.00 177.39 178.90 2dsa h SER 173 N 4.10 0.76 0.45 -1.43 0.02 -2.01 -0.60 113.55 114.85 2dsa h SER 173 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2dsa h SER 173 Cb 1.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2dsa h SER 173 CO 0.14 0.47 0.00 -2.65 -1.14 0.00 0.00 176.83 173.65 2dsa n PRO 174 N -4.50 0.06 -3.40 3.45 -0.02 -1.26 -3.97 135.00 125.36 2dsa n PRO 174 Ca 0.13 0.36 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 2dsa n PRO 174 Cb 0.27 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 2dsa n PRO 174 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2dsa n TRP 175 N -1.74 2.43 0.01 6.00 8.01 -0.23 -4.94 117.44 126.99 2dsa n TRP 175 Ca 0.02 -3.99 0.21 0.00 -1.31 0.00 0.00 57.50 52.43 2dsa n TRP 175 Cb 0.15 -0.48 0.72 0.00 -2.01 0.00 0.00 31.31 29.68 2dsa n TRP 175 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2dsa h PRO 176 N 4.29 0.00 0.00 -0.99 0.13 -1.70 -0.88 132.00 132.85 2dsa h PRO 176 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2dsa h PRO 176 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2dsa h PRO 176 CO 0.71 0.00 -0.23 0.66 -0.23 0.00 0.00 178.00 178.92 2dsa h SER 177 N 0.00 0.00 0.21 1.44 4.64 -1.90 -1.23 113.55 116.71 2dsa h SER 177 Ca 0.25 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.26 2dsa h SER 177 Cb 1.07 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2dsa h SER 177 CO -0.00 0.23 -1.31 -0.07 -0.87 0.00 0.00 176.83 174.80 2dsa h LEU 178 N 0.00 0.83 -0.92 5.97 3.38 -1.48 -1.88 115.31 121.21 2dsa h LEU 178 Ca -0.00 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.11 2dsa h LEU 178 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2dsa h LEU 178 CO 0.03 1.62 0.20 1.56 0.09 0.00 0.00 178.44 181.94 2dsa h GLN 179 N 0.22 0.99 -0.60 1.13 4.20 -1.42 -0.88 115.11 118.76 2dsa h GLN 179 Ca -0.20 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.24 2dsa h GLN 179 Cb 1.99 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.60 2dsa h GLN 179 CO 0.25 0.85 0.12 0.00 -0.67 0.00 0.00 178.83 179.38 2dsa h ALA 180 N 1.26 0.80 -0.53 3.87 0.00 -1.24 -2.31 119.26 121.10 2dsa h ALA 180 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2dsa h ALA 180 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dsa h ALA 180 CO -0.01 0.53 0.26 0.35 0.00 0.00 0.00 179.25 180.38 2dsa h PHE 181 N 0.89 0.77 -0.79 0.00 3.57 -1.15 -1.32 116.94 118.92 2dsa h PHE 181 Ca 0.19 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.74 2dsa h PHE 181 Cb 0.39 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 2dsa h PHE 181 CO 0.03 0.60 0.44 1.96 -2.23 0.00 0.00 178.31 179.11 2dsa h GLN 182 N 0.72 0.73 -0.12 1.11 4.20 -0.92 -0.61 115.11 120.22 2dsa h GLN 182 Ca 0.18 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 2dsa h GLN 182 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2dsa h GLN 182 CO -0.02 0.48 -0.63 0.78 -0.67 0.00 0.00 178.83 178.77 2dsa h GLY 183 N 0.75 0.48 0.97 3.46 0.00 -1.21 0.21 103.07 107.74 2dsa h GLY 183 Ca 0.37 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2dsa h GLY 183 CO -0.24 0.55 0.16 -0.09 0.00 0.00 0.00 176.54 176.92 2dsa h ARG 184 N 0.32 0.36 0.15 4.80 2.43 -0.78 -3.06 114.38 118.61 2dsa h ARG 184 Ca -0.01 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 2dsa h ARG 184 Cb 1.17 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2dsa h ARG 184 CO 0.11 0.29 -1.28 0.28 -1.51 0.00 0.00 179.97 177.86 2dsa h VAL 185 N 0.33 1.20 0.00 0.20 2.07 -1.08 -3.34 116.25 115.64 2dsa h VAL 185 Ca 0.10 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2dsa h VAL 185 Cb 0.02 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2dsa h VAL 185 CO -0.02 0.74 0.00 1.23 0.02 0.00 0.00 177.57 179.55 2dsa h GLY 186 N 0.02 0.00 0.71 2.17 0.00 -0.67 -2.36 103.07 102.95 2dsa h GLY 186 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2dsa h GLY 186 CO 0.13 0.00 -0.29 0.61 0.00 0.00 0.00 176.54 176.99 2dsa n GLY 187 N -0.86 -0.93 3.75 4.60 0.00 -1.16 -4.35 105.19 106.25 2dsa n GLY 187 Ca -0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2dsa n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dsa s ARG 188 N -2.69 4.34 0.28 1.61 0.52 -0.89 -4.95 118.95 117.18 2dsa s ARG 188 Ca 0.20 2.18 0.01 0.00 -0.52 0.00 0.00 55.73 57.61 2dsa s ARG 188 Cb 0.19 -3.12 0.56 0.00 0.52 0.00 0.00 34.95 33.10 2dsa s ARG 188 CO 0.57 -0.27 1.83 1.49 0.02 0.00 0.00 175.30 178.94 2dsa h GLU 189 N 4.55 0.94 -0.21 3.54 4.81 -1.90 -1.59 114.58 124.72 2dsa h GLU 189 Ca -0.47 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.60 2dsa h GLU 189 Cb 1.22 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2dsa h GLU 189 CO 0.73 0.62 -0.33 0.00 -0.73 0.00 0.00 179.01 179.31 2dsa h ALA 190 N 1.54 1.04 0.19 2.92 0.00 -1.92 -1.19 119.26 121.84 2dsa h ALA 190 Ca 0.50 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dsa h ALA 190 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dsa h ALA 190 CO -0.27 0.59 -0.09 0.28 0.00 0.00 0.00 179.25 179.75 2dsa h VAL 191 N 0.37 0.92 -0.28 0.00 2.07 -1.61 -1.58 116.25 116.13 2dsa h VAL 191 Ca 0.05 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2dsa h VAL 191 Cb 0.76 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2dsa h VAL 191 CO 0.06 0.14 -0.01 1.56 0.02 0.00 0.00 177.57 179.34 2dsa h GLN 192 N -0.57 0.43 -0.71 1.57 1.08 -1.44 -1.64 115.11 113.83 2dsa h GLN 192 Ca -0.03 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 2dsa h GLN 192 Cb 0.42 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2dsa h GLN 192 CO 0.04 0.46 0.18 0.77 -0.95 0.00 0.00 178.83 179.33 2dsa h SER 193 N 0.41 1.08 -0.32 1.46 0.02 -1.16 -1.37 113.55 113.68 2dsa h SER 193 Ca 0.09 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 2dsa h SER 193 Cb 0.29 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2dsa h SER 193 CO 0.01 1.03 -0.24 0.00 -1.14 0.00 0.00 176.83 176.49 2dsa h ALA 194 N 1.09 0.45 -0.81 3.77 0.00 -0.87 -0.75 119.26 122.13 2dsa h ALA 194 Ca 0.22 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2dsa h ALA 194 Cb 0.37 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2dsa h ALA 194 CO 0.00 0.43 0.50 -0.07 0.00 0.00 0.00 179.25 180.11 2dsa h LEU 195 N 0.48 0.79 -0.13 0.00 4.07 -1.22 -0.86 115.31 118.44 2dsa h LEU 195 Ca 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 2dsa h LEU 195 Cb 0.80 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 2dsa h LEU 195 CO 0.06 0.52 0.01 -0.09 -1.08 0.00 0.00 178.44 177.86 2dsa h ARG 196 N 0.93 0.22 0.00 1.13 2.43 -1.15 -0.53 114.38 117.40 2dsa h ARG 196 Ca 0.35 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2dsa h ARG 196 Cb 0.13 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2dsa h ARG 196 CO -0.16 0.43 -0.03 0.00 -1.51 0.00 0.00 179.97 178.70 2dsa h ALA 197 N 0.78 1.10 -0.01 2.80 0.00 -0.76 0.68 119.26 123.84 2dsa h ALA 197 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dsa h ALA 197 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dsa h ALA 197 CO 0.00 0.04 -0.11 0.39 0.00 0.00 0.00 179.25 179.56 2dsa n GLU 198 N -3.26 1.41 -2.03 0.00 1.02 -0.36 -4.94 120.64 112.47 2dsa n GLU 198 Ca -0.02 -0.89 -0.05 0.00 -0.02 0.00 0.00 57.16 56.19 2dsa n GLU 198 Cb 0.17 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2dsa n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dsa n GLY 199 N 1.26 0.21 0.80 0.62 0.00 0.23 -4.81 105.19 103.50 2dsa n GLY 199 Ca 0.16 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.57 2dsa n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36