#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 2.00 -0.28 2.12 1.02 0.12 -0.46 119.74 124.26 2dsa s LYS 2 Ca 0.00 -0.64 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 2dsa s LYS 2 Cb 0.00 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 2dsa s LYS 2 CO 0.00 0.22 0.06 -1.17 -0.92 0.00 0.00 175.35 173.54 2dsa s LEU 3 N 0.14 3.69 -0.14 3.17 2.96 -0.57 0.48 118.68 128.41 2dsa s LEU 3 Ca -0.07 -0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 52.93 2dsa s LEU 3 Cb -0.13 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2dsa s LEU 3 CO 0.03 -0.16 0.95 -0.31 -1.32 0.00 0.00 176.35 175.55 2dsa s TYR 4 N 1.50 3.47 0.18 5.38 1.51 0.11 -1.51 117.35 127.98 2dsa s TYR 4 Ca 0.03 1.47 -0.07 0.00 -1.01 0.00 0.00 57.07 57.50 2dsa s TYR 4 Cb -0.17 -3.14 -0.02 0.00 -0.11 0.00 0.00 41.96 38.52 2dsa s TYR 4 CO 0.02 -0.25 0.25 1.52 -1.11 0.00 0.00 175.55 175.97 2dsa s TYR 5 N 2.18 0.61 -0.04 2.71 -0.85 -0.32 -2.89 117.35 118.76 2dsa s TYR 5 Ca 0.45 -0.95 -0.01 0.00 -0.52 0.00 0.00 57.07 56.04 2dsa s TYR 5 Cb -0.17 -0.18 0.03 0.00 0.38 0.00 0.00 41.96 42.02 2dsa s TYR 5 CO 0.15 -0.71 0.07 0.45 -1.52 0.00 0.00 175.55 173.98 2dsa s SER 6 N -3.02 0.16 0.09 -0.18 0.15 -1.26 -1.96 113.70 107.67 2dsa s SER 6 Ca 0.23 0.12 -0.37 0.00 0.70 0.00 0.00 55.95 56.64 2dsa s SER 6 Cb 0.04 0.00 -0.17 0.00 -1.71 0.00 0.00 66.02 64.19 2dsa s SER 6 CO 0.04 -0.15 1.33 -2.65 1.20 0.00 0.00 173.24 173.01 2dsa n PRO 7 N 4.36 1.13 0.00 5.44 -0.02 -1.26 -0.98 135.00 143.66 2dsa n PRO 7 Ca -0.24 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2dsa n PRO 7 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.49 3.01 3.64 -1.23 0.00 -1.26 -5.01 105.19 106.82 2dsa n GLY 8 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.22 0.83 -0.04 4.61 0.00 -0.16 -4.86 121.76 120.93 2dsa s ALA 9 Ca 0.00 -0.88 0.27 0.00 0.00 0.00 0.00 51.96 51.36 2dsa s ALA 9 Cb 0.00 -2.91 1.43 0.00 0.00 0.00 0.00 23.12 21.63 2dsa s ALA 9 CO 0.00 -3.34 1.84 0.00 0.00 0.00 0.00 175.76 174.25 2dsa n SER 11 N -2.47 0.44 0.24 0.00 3.41 -1.26 -1.32 113.62 112.65 2dsa n SER 11 Ca -0.01 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 2dsa n SER 11 Cb 0.08 -0.75 0.61 0.00 -0.26 0.00 0.00 64.21 63.88 2dsa n SER 11 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2dsa h LEU 12 N 0.00 0.00 0.87 1.04 5.85 -1.57 -2.09 115.31 119.41 2dsa h LEU 12 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2dsa h LEU 12 Cb 0.05 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.09 2dsa h LEU 12 CO 0.00 0.18 -0.42 -1.28 -0.34 0.00 0.00 178.44 176.59 2dsa h SER 13 N 0.00 -0.98 -0.35 1.25 0.87 -1.44 0.71 113.55 113.60 2dsa h SER 13 Ca -0.00 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2dsa h SER 13 Cb 0.45 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2dsa h SER 13 CO 0.02 -0.63 0.24 -0.65 -0.53 0.00 0.00 176.83 175.28 2dsa h PRO 14 N -1.31 0.25 0.31 2.24 0.11 -1.72 -0.80 132.00 131.07 2dsa h PRO 14 Ca -0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 2dsa h PRO 14 Cb 0.89 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2dsa h PRO 14 CO 0.20 0.16 -0.15 1.25 -0.21 0.00 0.00 178.00 179.25 2dsa h HIS 15 N 0.25 -0.39 -0.59 0.65 2.76 -1.26 0.13 115.15 116.70 2dsa h HIS 15 Ca 0.15 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 2dsa h HIS 15 Cb 0.29 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 2dsa h HIS 15 CO -0.00 -0.21 0.33 0.82 -1.30 0.00 0.00 177.93 177.57 2dsa h ILE 16 N -0.46 0.99 -0.41 6.26 2.04 -0.48 -2.71 117.51 122.74 2dsa h ILE 16 Ca -0.04 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2dsa h ILE 16 Cb 0.35 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2dsa h ILE 16 CO 0.07 0.12 0.16 0.00 0.00 0.00 0.00 178.15 178.50 2dsa h ALA 17 N 1.30 0.49 -0.50 1.87 0.00 -0.80 0.17 119.26 121.79 2dsa h ALA 17 Ca 0.26 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2dsa h ALA 17 Cb 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2dsa h ALA 17 CO -0.15 -0.22 0.18 -0.07 0.00 0.00 0.00 179.25 178.99 2dsa h LEU 18 N 0.34 0.19 -0.37 0.00 3.38 -0.52 -0.20 115.31 118.12 2dsa h LEU 18 Ca 0.18 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2dsa h LEU 18 Cb 0.15 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2dsa h LEU 18 CO -0.17 0.13 0.21 0.03 0.09 0.00 0.00 178.44 178.73 2dsa h ARG 19 N 0.36 0.52 -0.29 1.13 3.08 -1.14 -2.28 114.38 115.75 2dsa h ARG 19 Ca 0.24 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2dsa h ARG 19 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2dsa h ARG 19 CO -0.24 0.42 0.16 0.93 -1.07 0.00 0.00 179.97 180.17 2dsa h GLU 20 N 0.48 0.40 0.00 0.04 4.39 -0.51 -0.31 114.58 119.07 2dsa h GLU 20 Ca 0.13 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2dsa h GLU 20 Cb 0.05 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2dsa h GLU 20 CO -0.02 0.30 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 2dsa h ALA 21 N 1.77 1.00 -0.46 3.43 0.00 -0.72 -3.47 119.26 120.81 2dsa h ALA 21 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2dsa h ALA 21 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2dsa h ALA 21 CO -0.02 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.49 2dsa n GLY 22 N 0.62 0.83 3.87 0.00 0.00 -0.13 -4.91 105.19 105.48 2dsa n GLY 22 Ca 0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.78 3.72 -0.03 0.99 1.43 -1.02 -5.05 118.68 116.94 2dsa s LEU 23 Ca 0.00 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2dsa s LEU 23 Cb 0.00 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 2dsa s LEU 23 CO 0.00 -0.49 -0.01 0.54 0.23 0.00 0.00 176.35 176.62 2dsa s ASN 24 N -3.32 5.07 0.17 2.29 4.22 -1.26 -4.68 114.94 117.43 2dsa s ASN 24 Ca 0.53 0.02 -0.23 0.00 -2.14 0.00 0.00 52.86 51.03 2dsa s ASN 24 Cb -0.10 -1.34 0.06 0.00 1.28 0.00 0.00 41.25 41.15 2dsa s ASN 24 CO 0.34 0.31 0.69 0.72 -2.04 0.00 0.00 177.10 177.12 2dsa s PHE 25 N -1.00 -0.40 -0.16 1.54 -0.71 -1.26 -4.65 117.98 111.33 2dsa s PHE 25 Ca 0.17 0.13 -0.05 0.00 -1.04 0.00 0.00 56.93 56.14 2dsa s PHE 25 Cb -0.11 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 2dsa s PHE 25 CO 0.07 -0.92 -0.00 -1.21 -1.34 0.00 0.00 175.22 171.82 2dsa s GLU 26 N -3.70 3.75 0.12 1.99 0.41 0.39 -5.00 118.70 116.65 2dsa s GLU 26 Ca 0.05 -0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.86 2dsa s GLU 26 Cb -0.02 -3.01 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 2dsa s GLU 26 CO -0.06 0.28 1.03 -0.51 -0.49 0.00 0.00 175.26 175.51 2dsa s LEU 27 N 0.29 4.47 -0.15 1.80 1.43 -1.26 -1.51 118.68 123.76 2dsa s LEU 27 Ca -0.01 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2dsa s LEU 27 Cb -0.13 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.52 2dsa s LEU 27 CO 0.02 -0.18 -0.11 -0.69 0.23 0.00 0.00 176.35 175.62 2dsa s VAL 28 N 0.14 1.39 0.38 -1.59 1.01 -0.57 -4.94 120.40 116.21 2dsa s VAL 28 Ca 0.49 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2dsa s VAL 28 Cb -0.26 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 2dsa s VAL 28 CO 0.31 0.35 0.85 -1.58 0.00 0.00 0.00 175.10 175.03 2dsa s GLN 29 N 1.55 4.11 -0.06 2.72 0.74 -1.26 -1.17 119.66 126.28 2dsa s GLN 29 Ca 0.04 0.90 0.04 0.00 0.05 0.00 0.00 55.36 56.38 2dsa s GLN 29 Cb -0.14 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.68 2dsa s GLN 29 CO -0.09 0.04 -0.18 0.08 -0.55 0.00 0.00 175.29 174.59 2dsa s VAL 30 N -2.11 1.52 -0.55 1.34 1.01 -0.83 -1.03 120.40 119.75 2dsa s VAL 30 Ca 0.58 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 2dsa s VAL 30 Cb -0.10 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2dsa s VAL 30 CO 0.16 0.44 1.15 -0.62 0.00 0.00 0.00 175.10 176.22 2dsa s ASP 31 N 0.28 6.49 0.00 3.32 2.15 -0.28 -4.80 116.67 123.83 2dsa s ASP 31 Ca -0.10 0.16 0.11 0.00 0.43 0.00 0.00 52.55 53.15 2dsa s ASP 31 Cb -0.14 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.60 2dsa s ASP 31 CO 0.04 -1.38 1.09 0.18 -0.17 0.00 0.00 175.17 174.93 2dsa n LEU 32 N 8.15 0.00 -0.06 -1.34 4.77 -1.26 -1.60 117.00 125.66 2dsa n LEU 32 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2dsa n LEU 32 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2dsa n LEU 32 CO 0.71 0.00 -0.64 0.00 -1.33 0.00 0.00 177.39 176.13 2dsa n ALA 33 N -0.91 1.54 1.12 -1.18 0.00 -1.26 -4.59 120.51 115.23 2dsa n ALA 33 Ca 0.08 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 53.03 2dsa n ALA 33 Cb 0.04 0.13 0.47 0.00 0.00 0.00 0.00 19.45 20.09 2dsa n ALA 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dsa n SER 34 N -4.12 0.35 -3.40 0.00 3.41 -1.23 -4.95 113.62 103.68 2dsa n SER 34 Ca -0.16 -0.12 -0.20 0.00 -0.26 0.00 0.00 58.87 58.13 2dsa n SER 34 Cb 0.46 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.32 -1.75 -3.98 4.33 4.76 -0.63 -4.89 118.16 114.68 2dsa n LYS 35 Ca 0.09 0.79 -0.14 0.00 -2.87 0.00 0.00 58.31 56.18 2dsa n LYS 35 Cb 0.32 -5.11 -0.14 0.00 -1.84 0.00 0.00 35.03 28.26 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 -4.82 0.17 1.00 1.97 1.02 -1.20 -0.67 119.74 117.22 2dsa s LYS 36 Ca 0.40 -0.06 -0.14 0.00 0.02 0.00 0.00 55.97 56.19 2dsa s LYS 36 Cb -0.09 -0.18 0.19 0.00 -0.52 0.00 0.00 37.83 37.23 2dsa s LYS 36 CO 0.79 0.03 1.14 0.95 -0.92 0.00 0.00 175.35 177.34 2dsa s THR 37 N 0.02 1.91 0.26 2.17 -4.23 0.32 -1.13 115.64 114.96 2dsa s THR 37 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 2dsa s THR 37 Cb -0.02 -2.65 0.25 0.00 1.34 0.00 0.00 72.50 71.42 2dsa s THR 37 CO -0.00 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 175.95 2dsa h ALA 38 N -1.86 1.32 0.00 3.99 0.00 -1.43 -1.96 119.26 119.32 2dsa h ALA 38 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2dsa h ALA 38 Cb 1.31 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dsa h ALA 38 CO 0.52 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 179.04 2dsa n SER 39 N -4.54 0.18 -0.39 0.00 3.41 -1.26 -4.87 113.62 106.15 2dsa n SER 39 Ca 0.14 -1.54 -0.05 0.00 -0.26 0.00 0.00 58.87 57.16 2dsa n SER 39 Cb 0.18 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.23 0.73 3.90 5.00 0.00 -0.74 -5.04 105.19 109.28 2dsa n GLY 40 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2dsa n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dsa s GLN 41 N -1.93 3.55 -0.45 1.61 -1.52 -1.26 -4.80 119.66 114.85 2dsa s GLN 41 Ca 0.00 0.24 -0.27 0.00 -1.95 0.00 0.00 55.36 53.38 2dsa s GLN 41 Cb 0.00 -2.36 0.03 0.00 -0.22 0.00 0.00 33.01 30.46 2dsa s GLN 41 CO 0.00 -0.22 1.00 0.34 -0.25 0.00 0.00 175.29 176.16 2dsa s ASP 42 N -4.09 6.59 0.48 5.90 2.15 -1.26 -0.52 116.67 125.92 2dsa s ASP 42 Ca 0.48 0.34 0.22 0.00 0.43 0.00 0.00 52.55 54.03 2dsa s ASP 42 Cb -0.10 -2.49 1.24 0.00 -0.30 0.00 0.00 42.92 41.26 2dsa s ASP 42 CO 0.45 -1.08 2.02 0.22 -0.17 0.00 0.00 175.17 176.60 2dsa h TYR 43 N 9.00 0.00 0.00 -5.34 3.20 -1.22 -2.32 116.97 120.29 2dsa h TYR 43 Ca -0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2dsa h TYR 43 Cb 1.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2dsa h TYR 43 CO 0.90 0.17 0.00 1.28 -1.64 0.00 0.00 178.16 178.87 2dsa n LEU 44 N -3.85 0.26 0.10 2.82 4.77 -1.26 -0.28 117.00 119.56 2dsa n LEU 44 Ca -0.02 0.57 -0.03 0.00 -0.03 0.00 0.00 56.01 56.50 2dsa n LEU 44 Cb 0.27 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2dsa n LEU 44 CO 0.33 -0.39 0.34 -0.08 -1.33 0.00 0.00 177.39 176.26 2dsa h GLU 45 N 0.00 0.00 0.00 3.23 4.57 -1.77 -3.25 114.58 117.36 2dsa h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dsa h GLU 45 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2dsa h GLU 45 CO 0.00 0.77 -0.27 0.28 -1.18 0.00 0.00 179.01 178.61 2dsa h VAL 46 N 0.00 0.00 -3.77 0.32 2.07 -0.76 -3.45 116.25 110.67 2dsa h VAL 46 Ca -0.01 -0.75 -0.67 0.00 0.82 0.00 0.00 66.70 66.09 2dsa h VAL 46 Cb 1.42 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.82 2dsa h VAL 46 CO 0.10 0.00 -0.73 0.21 0.02 0.00 0.00 177.57 177.17 2dsa s ASN 47 N -5.10 4.71 0.45 0.57 2.47 0.37 -5.02 114.94 113.39 2dsa s ASN 47 Ca -0.08 -1.59 0.19 0.00 0.42 0.00 0.00 52.86 51.80 2dsa s ASN 47 Cb 0.01 -1.64 1.15 0.00 -1.45 0.00 0.00 41.25 39.33 2dsa s ASN 47 CO 0.12 -0.28 1.91 -0.65 -3.72 0.00 0.00 177.10 174.48 2dsa h PRO 48 N 7.82 0.30 0.00 0.43 0.11 -1.79 0.53 132.00 139.39 2dsa h PRO 48 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2dsa h PRO 48 Cb 1.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2dsa h PRO 48 CO 0.51 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2dsa n ALA 49 N -2.56 1.94 -1.00 -0.75 0.00 -1.26 -4.92 120.51 111.96 2dsa n ALA 49 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2dsa n ALA 49 Cb 0.62 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2dsa n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dsa n GLY 50 N 0.60 0.33 3.86 0.00 0.00 0.18 -5.02 105.19 105.13 2dsa n GLY 50 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.66 2.89 0.18 1.61 -0.85 -1.26 -4.95 117.35 113.32 2dsa s TYR 51 Ca 0.00 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.29 2dsa s TYR 51 Cb 0.00 -1.83 -0.04 0.00 0.38 0.00 0.00 41.96 40.47 2dsa s TYR 51 CO 0.00 0.16 0.16 0.14 -1.52 0.00 0.00 175.55 174.49 2dsa s VAL 52 N -2.31 4.54 0.69 -3.49 -7.23 -1.26 -4.60 120.40 106.73 2dsa s VAL 52 Ca 0.42 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 59.39 2dsa s VAL 52 Cb -0.06 -3.35 0.03 0.00 0.56 0.00 0.00 36.38 33.57 2dsa s VAL 52 CO 0.27 -0.15 1.04 -2.16 -0.31 0.00 0.00 175.10 173.79 2dsa s PRO 53 N -3.24 2.64 -0.06 4.82 0.04 -1.26 -4.63 135.00 133.31 2dsa s PRO 53 Ca 0.31 0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 2dsa s PRO 53 Cb -0.10 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2dsa s PRO 53 CO 0.24 -1.06 0.13 0.00 0.04 0.00 0.00 177.00 176.35 2dsa s LEU 55 N 0.87 3.54 -0.14 0.00 2.96 -0.32 0.04 118.68 125.62 2dsa s LEU 55 Ca -0.07 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2dsa s LEU 55 Cb -0.09 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2dsa s LEU 55 CO -0.04 0.09 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.47 2dsa s GLN 56 N 0.88 3.56 0.65 1.98 0.74 0.18 -1.00 119.66 126.64 2dsa s GLN 56 Ca 0.03 -0.48 -0.09 0.00 0.05 0.00 0.00 55.36 54.87 2dsa s GLN 56 Cb -0.14 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.07 2dsa s GLN 56 CO 0.02 0.34 1.00 -0.51 -0.55 0.00 0.00 175.29 175.59 2dsa s LEU 57 N 0.11 3.08 0.26 3.68 1.43 0.13 -0.70 118.68 126.67 2dsa s LEU 57 Ca 0.00 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.03 2dsa s LEU 57 Cb -0.13 -3.76 0.56 0.00 0.03 0.00 0.00 46.19 42.88 2dsa s LEU 57 CO 0.02 -1.18 1.70 0.44 0.23 0.00 0.00 176.35 177.56 2dsa h ASP 58 N -0.41 0.19 -1.47 2.29 3.32 -1.94 -0.57 116.42 117.83 2dsa h ASP 58 Ca -0.45 0.14 0.49 0.00 0.02 0.00 0.00 57.03 57.23 2dsa h ASP 58 Cb 1.25 0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.82 2dsa h ASP 58 CO 0.62 0.01 0.97 0.44 -1.72 0.00 0.00 179.24 179.56 2dsa h ASP 59 N 0.36 0.17 0.00 6.45 5.19 -2.05 -3.46 116.42 123.09 2dsa h ASP 59 Ca 0.47 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 2dsa h ASP 59 Cb 0.81 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2dsa h ASP 59 CO -0.49 -0.22 0.00 0.61 -3.12 0.00 0.00 179.24 176.02 2dsa n GLY 60 N -1.58 2.47 3.76 2.75 0.00 -0.22 -5.07 105.19 107.29 2dsa n GLY 60 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 3.38 0.20 1.61 0.52 -1.26 -4.70 118.95 117.75 2dsa s ARG 61 Ca 0.00 2.01 0.07 0.00 -0.52 0.00 0.00 55.73 57.29 2dsa s ARG 61 Cb 0.00 -2.29 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 2dsa s ARG 61 CO 0.00 -0.93 -0.12 0.95 0.02 0.00 0.00 175.30 175.22 2dsa s THR 62 N -1.43 1.57 -0.01 0.02 -4.23 -1.26 0.22 115.64 110.52 2dsa s THR 62 Ca 0.69 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2dsa s THR 62 Cb -0.35 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.46 2dsa s THR 62 CO 0.41 -0.60 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.64 2dsa s LEU 63 N -3.29 1.79 0.51 4.79 2.96 -0.17 -5.00 118.68 120.27 2dsa s LEU 63 Ca 0.22 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2dsa s LEU 63 Cb 0.01 -0.18 -0.00 0.00 0.50 0.00 0.00 46.19 46.51 2dsa s LEU 63 CO 0.06 0.00 0.02 0.42 -1.32 0.00 0.00 176.35 175.53 2dsa s THR 64 N 0.21 0.93 0.07 3.68 -4.23 -1.26 -1.18 115.64 113.86 2dsa s THR 64 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2dsa s THR 64 Cb -0.05 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2dsa s THR 64 CO -0.00 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.46 2dsa n GLU 65 N -1.26 -2.92 -0.21 3.99 -0.58 -1.26 -4.43 120.64 113.97 2dsa n GLU 65 Ca -0.19 2.32 -0.10 0.00 -0.42 0.00 0.00 57.16 58.77 2dsa n GLU 65 Cb 0.67 -2.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.00 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 2.30 -0.62 0.16 0.62 0.00 -1.94 -1.78 103.07 101.81 2dsa h GLY 66 Ca 0.00 0.62 0.22 0.00 0.00 0.00 0.00 47.33 48.17 2dsa h GLY 66 CO 0.00 -0.13 0.62 -2.55 0.00 0.00 0.00 176.54 174.48 2dsa h PRO 67 N -0.25 0.47 -0.06 4.80 0.11 -1.91 0.80 132.00 135.95 2dsa h PRO 67 Ca 0.15 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 2dsa h PRO 67 Cb 0.56 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2dsa h PRO 67 CO -0.69 0.31 -0.14 0.00 -0.21 0.00 0.00 178.00 177.27 2dsa h ALA 68 N 1.62 0.10 -0.15 -0.75 0.00 -1.69 -3.15 119.26 115.23 2dsa h ALA 68 Ca 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dsa h ALA 68 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dsa h ALA 68 CO -0.25 0.00 0.10 0.82 0.00 0.00 0.00 179.25 179.92 2dsa h ILE 69 N -0.31 1.03 0.00 0.00 2.04 -0.55 -1.53 117.51 118.19 2dsa h ILE 69 Ca -0.00 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2dsa h ILE 69 Cb 0.74 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2dsa h ILE 69 CO 0.03 0.04 -0.36 -0.37 0.00 0.00 0.00 178.15 177.49 2dsa h VAL 70 N 0.20 1.22 -0.28 1.67 -1.51 -1.01 -1.49 116.25 115.05 2dsa h VAL 70 Ca 0.06 -1.24 -0.13 0.00 -1.23 0.00 0.00 66.70 64.16 2dsa h VAL 70 Cb -0.02 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2dsa h VAL 70 CO -0.02 0.35 -0.32 1.56 -1.23 0.00 0.00 177.57 177.91 2dsa h GLN 71 N 0.00 0.71 -0.29 5.19 4.20 -1.47 -1.83 115.11 121.62 2dsa h GLN 71 Ca -0.00 -0.39 0.05 0.00 0.06 0.00 0.00 58.65 58.36 2dsa h GLN 71 Cb 0.65 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 2dsa h GLN 71 CO 0.05 1.01 0.01 -0.92 -0.67 0.00 0.00 178.83 178.31 2dsa h TYR 72 N 0.45 0.01 0.06 2.96 5.03 -0.80 -1.98 116.97 122.70 2dsa h TYR 72 Ca 0.04 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.39 2dsa h TYR 72 Cb 0.90 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.19 2dsa h TYR 72 CO 0.07 -0.04 -0.23 0.28 -1.32 0.00 0.00 178.16 176.93 2dsa h VAL 73 N 0.10 0.47 -0.91 1.81 2.07 -1.25 -2.67 116.25 115.88 2dsa h VAL 73 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.77 2dsa h VAL 73 Cb 0.18 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2dsa h VAL 73 CO -0.22 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.90 2dsa h ALA 74 N 0.41 1.34 0.00 1.67 0.00 -1.27 -2.10 119.26 119.31 2dsa h ALA 74 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dsa h ALA 74 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dsa h ALA 74 CO -0.17 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 178.96 2dsa n ASP 75 N -4.71 0.00 0.07 0.00 10.43 -0.75 -2.23 116.55 119.36 2dsa n ASP 75 Ca 0.16 0.45 -0.08 0.00 2.57 0.00 0.00 54.79 57.89 2dsa n ASP 75 Cb 0.34 -0.48 -0.11 0.00 1.84 0.00 0.00 41.12 42.71 2dsa n ASP 75 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 2dsa h GLN 76 N 0.00 0.05 -2.28 -1.24 1.08 -1.13 -3.39 115.11 108.19 2dsa h GLN 76 Ca 0.00 -0.08 -0.59 0.00 -1.45 0.00 0.00 58.65 56.53 2dsa h GLN 76 Cb 0.36 0.03 -0.41 0.00 -0.05 0.00 0.00 27.48 27.41 2dsa h GLN 76 CO 0.00 1.02 -0.80 0.28 -0.95 0.00 0.00 178.83 178.38 2dsa n VAL 77 N -3.40 0.88 -0.14 -0.54 0.31 -0.94 -4.95 118.33 109.53 2dsa n VAL 77 Ca -0.02 -4.58 0.07 0.00 -0.01 0.00 0.00 64.34 59.80 2dsa n VAL 77 Cb 0.94 -2.02 0.39 0.00 -0.91 0.00 0.00 33.84 32.24 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 4.46 0.66 -1.15 5.55 0.13 -1.76 -0.85 132.00 139.03 2dsa h PRO 78 Ca 0.16 -0.04 0.33 0.00 -0.87 0.00 0.00 66.00 65.58 2dsa h PRO 78 Cb 0.77 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 2dsa h PRO 78 CO 0.65 0.43 0.85 0.78 -0.23 0.00 0.00 178.00 180.48 2dsa h GLY 79 N 0.68 0.00 2.00 1.56 0.00 -1.92 0.15 103.07 105.53 2dsa h GLY 79 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2dsa h GLY 79 CO -0.09 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.95 2dsa h LYS 80 N 0.00 0.00 -6.00 4.80 1.79 -1.50 -3.47 116.57 112.18 2dsa h LYS 80 Ca 0.55 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.61 2dsa h LYS 80 Cb 2.25 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 32.97 2dsa h LYS 80 CO -0.01 0.00 -0.79 1.04 -1.08 0.00 0.00 179.45 178.62 2dsa n GLN 81 N -2.35 -5.74 0.00 3.15 6.02 0.52 -4.91 117.38 114.07 2dsa n GLN 81 Ca 0.05 0.69 0.12 0.00 -0.01 0.00 0.00 57.00 57.85 2dsa n GLN 81 Cb 0.42 -5.46 0.27 0.00 1.02 0.00 0.00 30.24 26.48 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 -4.39 0.95 -3.70 1.08 4.77 -1.26 -4.70 117.00 109.74 2dsa n LEU 82 Ca -0.21 -0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.40 2dsa n LEU 82 Cb 0.64 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2dsa n LEU 82 CO 0.68 0.19 0.14 0.00 -1.33 0.00 0.00 177.39 177.07 2dsa s ALA 83 N -2.70 -1.11 0.63 -1.18 0.00 -1.26 -0.48 121.76 115.66 2dsa s ALA 83 Ca 0.18 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.92 2dsa s ALA 83 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2dsa s ALA 83 CO 0.61 -0.26 1.13 -2.30 0.00 0.00 0.00 175.76 174.94 2dsa n PRO 84 N 1.99 0.99 -1.68 0.00 -0.02 -1.26 -4.93 135.00 130.09 2dsa n PRO 84 Ca -0.17 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 2dsa n PRO 84 Cb 0.57 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2dsa n PRO 84 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dsa n ALA 85 N -1.87 1.07 -1.73 3.55 0.00 -1.26 -4.69 120.51 115.58 2dsa n ALA 85 Ca 0.15 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.59 2dsa n ALA 85 Cb 0.48 -2.23 0.06 0.00 0.00 0.00 0.00 19.45 17.76 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 1.05 2.20 0.00 0.00 3.02 -1.26 -2.13 115.26 118.14 2dsa n ASN 86 Ca 0.06 0.88 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 2dsa n ASN 86 Cb 0.35 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 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 0.89 2.89 3.82 7.41 0.00 -1.26 -5.01 105.19 113.93 2dsa n GLY 87 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.56 6.92 0.33 1.61 1.04 -0.91 -4.98 113.70 115.15 2dsa s SER 88 Ca 0.00 1.60 0.01 0.00 0.48 0.00 0.00 55.95 58.04 2dsa s SER 88 Cb 0.00 -2.50 0.56 0.00 0.10 0.00 0.00 66.02 64.17 2dsa s SER 88 CO 0.00 -0.31 1.99 0.15 0.98 0.00 0.00 173.24 176.05 2dsa h PHE 89 N 2.05 0.91 0.00 5.02 3.57 -1.95 -2.40 116.94 124.14 2dsa h PHE 89 Ca -0.49 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 2dsa h PHE 89 Cb 1.18 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2dsa h PHE 89 CO 0.62 0.56 -0.08 0.93 -2.23 0.00 0.00 178.31 178.11 2dsa h GLU 90 N 0.97 0.00 -0.69 1.11 4.39 -1.93 -1.75 114.58 116.68 2dsa h GLU 90 Ca 0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 2dsa h GLU 90 Cb -0.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2dsa h GLU 90 CO -0.06 0.08 0.27 -0.09 -1.16 0.00 0.00 179.01 178.05 2dsa h ARG 91 N 0.00 1.03 -0.52 2.33 9.65 -1.64 0.17 114.38 125.40 2dsa h ARG 91 Ca -0.00 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 2dsa h ARG 91 Cb 0.22 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2dsa h ARG 91 CO 0.01 0.85 0.17 1.88 2.80 0.00 0.00 179.97 185.68 2dsa h TYR 92 N 0.98 0.77 -0.64 2.20 -1.99 -1.40 -1.20 116.97 115.69 2dsa h TYR 92 Ca 0.23 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.82 2dsa h TYR 92 Cb 0.21 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 2dsa h TYR 92 CO 0.01 0.62 0.04 1.25 -0.00 0.00 0.00 178.16 180.09 2dsa h HIS 93 N 0.75 1.18 -0.01 4.88 2.76 -1.17 0.19 115.15 123.72 2dsa h HIS 93 Ca 0.17 -0.19 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2dsa h HIS 93 Cb 0.21 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 2dsa h HIS 93 CO 0.01 1.01 -0.11 1.25 -1.30 0.00 0.00 177.93 178.79 2dsa h LEU 94 N 1.00 -0.33 -0.95 0.26 5.85 -0.30 -1.96 115.31 118.88 2dsa h LEU 94 Ca 0.19 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2dsa h LEU 94 Cb 0.52 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2dsa h LEU 94 CO 0.02 -0.16 0.62 1.56 -0.34 0.00 0.00 178.44 180.15 2dsa h GLN 95 N -0.19 1.20 -0.11 1.25 4.20 -0.86 -0.06 115.11 120.54 2dsa h GLN 95 Ca 0.05 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2dsa h GLN 95 Cb 0.25 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2dsa h GLN 95 CO -0.12 0.80 -0.13 0.37 -0.67 0.00 0.00 178.83 179.08 2dsa h GLN 96 N 1.24 -0.15 -0.71 1.46 4.15 -0.46 -1.29 115.11 119.36 2dsa h GLN 96 Ca 0.37 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.75 2dsa h GLN 96 Cb -0.06 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2dsa h GLN 96 CO -0.10 -0.10 0.26 -1.49 -1.93 0.00 0.00 178.83 175.47 2dsa h TRP 97 N -0.16 1.08 -0.54 3.99 4.06 -0.83 -0.59 115.95 122.95 2dsa h TRP 97 Ca 0.08 -0.08 0.02 0.00 2.06 0.00 0.00 58.89 60.97 2dsa h TRP 97 Cb 0.28 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 2dsa h TRP 97 CO -0.24 0.83 0.33 -0.07 -3.56 0.00 0.00 178.44 175.74 2dsa h LEU 98 N 1.03 0.55 -0.74 -4.49 3.38 -0.77 0.00 115.31 114.27 2dsa h LEU 98 Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 2dsa h LEU 98 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2dsa h LEU 98 CO -0.02 0.39 -0.42 -1.13 0.09 0.00 0.00 178.44 177.35 2dsa h ASN 99 N 0.66 0.50 -0.10 -0.43 -1.24 -1.00 -1.42 115.58 112.55 2dsa h ASN 99 Ca 0.21 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2dsa h ASN 99 Cb 0.00 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.91 2dsa h ASN 99 CO -0.09 0.86 0.02 0.15 -1.29 0.00 0.00 177.43 177.08 2dsa h PHE 100 N 0.38 0.16 -0.28 0.67 3.57 -0.62 0.20 116.94 121.03 2dsa h PHE 100 Ca 0.03 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2dsa h PHE 100 Cb 0.90 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2dsa h PHE 100 CO 0.03 0.34 0.10 0.82 -2.23 0.00 0.00 178.31 177.37 2dsa h ILE 101 N -0.06 0.93 0.11 1.41 2.04 -0.92 0.11 117.51 121.13 2dsa h ILE 101 Ca 0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2dsa h ILE 101 Cb 0.26 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2dsa h ILE 101 CO 0.00 0.04 -0.05 -1.28 0.00 0.00 0.00 178.15 176.86 2dsa h SER 102 N 0.23 -0.13 0.78 1.72 0.87 -1.16 0.12 113.55 115.98 2dsa h SER 102 Ca 0.13 -0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.28 2dsa h SER 102 Cb 0.09 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2dsa h SER 102 CO -0.13 0.12 -1.33 0.77 -0.53 0.00 0.00 176.83 175.73 2dsa h SER 103 N -0.38 0.00 0.00 6.23 4.64 -0.91 -2.22 113.55 120.91 2dsa h SER 103 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2dsa h SER 103 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2dsa h SER 103 CO 0.03 0.79 -1.71 -0.62 -0.87 0.00 0.00 176.83 174.44 2dsa n GLU 104 N -3.06 0.61 0.00 4.77 -0.58 0.36 -4.50 120.64 118.23 2dsa n GLU 104 Ca -0.09 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2dsa n GLU 104 Cb 0.92 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 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 -2.08 0.00 -0.39 -4.62 4.77 -0.90 -4.54 117.00 109.24 2dsa n LEU 105 Ca -0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 2dsa n LEU 105 Cb 0.46 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2dsa n LEU 105 CO 0.31 -0.27 0.50 1.57 -1.33 0.00 0.00 177.39 178.16 2dsa n HIS 106 N -1.91 -0.25 0.31 -1.77 -0.00 0.36 -0.48 115.22 111.48 2dsa n HIS 106 Ca 0.00 1.18 0.19 0.00 0.46 0.00 0.00 57.72 59.55 2dsa n HIS 106 Cb 0.00 -0.68 0.96 0.00 -0.12 0.00 0.00 29.99 30.14 2dsa n HIS 106 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2dsa h LYS 107 N 0.00 0.00 0.08 1.57 1.79 -1.62 -1.68 116.57 116.70 2dsa h LYS 107 Ca 0.22 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.44 2dsa h LYS 107 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2dsa h LYS 107 CO -0.91 0.02 -1.14 0.77 -1.08 0.00 0.00 179.45 177.10 2dsa h SER 108 N 0.00 0.27 0.11 0.86 0.02 -1.01 -3.26 113.55 110.53 2dsa h SER 108 Ca -0.00 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 2dsa h SER 108 Cb 0.23 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2dsa h SER 108 CO 0.00 1.22 -0.18 -0.26 -1.14 0.00 0.00 176.83 176.47 2dsa h PHE 109 N 0.05 0.16 -0.33 3.45 0.04 -0.61 -3.35 116.94 116.34 2dsa h PHE 109 Ca -0.09 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.74 2dsa h PHE 109 Cb 1.89 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 39.91 2dsa h PHE 109 CO 0.04 0.34 -0.20 0.77 -0.60 0.00 0.00 178.31 178.65 2dsa h SER 110 N 0.15 -0.67 0.42 2.17 0.02 -1.53 -1.69 113.55 112.41 2dsa h SER 110 Ca 0.03 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2dsa h SER 110 Cb 0.41 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2dsa h SER 110 CO 0.03 -0.24 0.00 -0.81 -1.14 0.00 0.00 176.83 174.67 2dsa n PRO 111 N -5.37 0.54 0.09 3.45 -0.04 -1.26 -2.52 135.00 129.90 2dsa n PRO 111 Ca 0.01 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2dsa n PRO 111 Cb 0.28 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 2dsa n PRO 111 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dsa h LEU 112 N 0.00 0.00 -0.60 1.53 3.38 -1.50 -3.14 115.31 114.98 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 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2dsa h LEU 112 CO 0.00 0.85 0.00 -0.26 0.09 0.00 0.00 178.44 179.12 2dsa h PHE 113 N 0.00 0.00 -3.44 1.13 -1.00 -1.35 -3.45 116.94 108.82 2dsa h PHE 113 Ca -0.01 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.17 2dsa h PHE 113 Cb 1.61 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 41.08 2dsa h PHE 113 CO 0.00 0.00 0.51 1.21 -1.61 0.00 0.00 178.31 178.42 2dsa s ASN 114 N -5.59 6.69 0.41 2.17 3.84 -1.19 -4.95 114.94 116.31 2dsa s ASN 114 Ca 0.05 0.65 0.14 0.00 0.21 0.00 0.00 52.86 53.91 2dsa s ASN 114 Cb 0.08 -2.44 0.85 0.00 -0.55 0.00 0.00 41.25 39.19 2dsa s ASN 114 CO 0.58 -0.73 1.89 1.55 -2.79 0.00 0.00 177.10 177.61 2dsa h PRO 115 N 8.26 0.00 -0.13 0.43 0.13 -1.88 -3.15 132.00 135.67 2dsa h PRO 115 Ca -0.24 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.74 2dsa h PRO 115 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2dsa h PRO 115 CO 0.93 0.29 -0.59 0.00 -0.23 0.00 0.00 178.00 178.41 2dsa h ALA 116 N 1.71 0.75 -2.68 -0.56 0.00 -1.94 -3.46 119.26 113.08 2dsa h ALA 116 Ca -0.00 -0.53 -0.55 0.00 0.00 0.00 0.00 54.91 53.83 2dsa h ALA 116 Cb 0.53 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 18.33 2dsa h ALA 116 CO 0.04 0.71 0.80 -1.13 0.00 0.00 0.00 179.25 179.67 2dsa n SER 117 N -3.92 3.58 -4.62 0.00 3.41 -1.19 -4.98 113.62 105.89 2dsa n SER 117 Ca -0.03 1.15 -0.29 0.00 -0.26 0.00 0.00 58.87 59.44 2dsa n SER 117 Cb 0.62 -1.56 0.19 0.00 -0.26 0.00 0.00 64.21 63.20 2dsa n SER 117 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dsa s SER 118 N 0.38 2.34 0.35 4.04 1.04 -1.26 -4.87 113.70 115.71 2dsa s SER 118 Ca 0.64 1.55 0.19 0.00 0.48 0.00 0.00 55.95 58.81 2dsa s SER 118 Cb -0.53 -2.23 0.28 0.00 0.10 0.00 0.00 66.02 63.64 2dsa s SER 118 CO 0.50 -3.36 1.55 0.44 0.98 0.00 0.00 173.24 173.35 2dsa h ASP 119 N -2.05 0.00 0.49 7.02 5.19 -1.99 -2.43 116.42 122.65 2dsa h ASP 119 Ca -0.54 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.71 2dsa h ASP 119 Cb 1.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 2dsa h ASP 119 CO 0.52 0.33 -0.73 -0.08 -3.12 0.00 0.00 179.24 176.16 2dsa h GLU 120 N 0.00 0.20 0.49 3.56 4.81 -2.00 -2.76 114.58 118.88 2dsa h GLU 120 Ca -0.00 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2dsa h GLU 120 Cb 1.18 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2dsa h GLU 120 CO 0.04 0.84 -0.23 2.35 -0.73 0.00 0.00 179.01 181.28 2dsa h TRP 121 N 0.13 -0.61 -0.81 0.92 2.91 -1.93 -3.20 115.95 113.37 2dsa h TRP 121 Ca -0.02 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.13 2dsa h TRP 121 Cb 1.28 0.20 -0.10 0.00 -0.51 0.00 0.00 29.16 30.04 2dsa h TRP 121 CO 0.02 -0.33 0.38 0.87 -1.03 0.00 0.00 178.44 178.36 2dsa h LYS 122 N -1.12 0.53 -0.07 2.65 1.57 -1.51 -1.99 116.57 116.62 2dsa h LYS 122 Ca -0.07 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2dsa h LYS 122 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2dsa h LYS 122 CO 0.11 0.35 -0.39 -0.91 -0.57 0.00 0.00 179.45 178.04 2dsa h ASN 123 N 0.54 0.16 -0.27 0.86 4.21 -1.61 0.20 115.58 119.67 2dsa h ASN 123 Ca 0.45 -0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.83 2dsa h ASN 123 Cb 0.66 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.81 2dsa h ASN 123 CO -0.38 0.54 -0.09 0.00 -1.29 0.00 0.00 177.43 176.21 2dsa h ALA 124 N 1.47 0.37 -0.66 -0.83 0.00 -1.36 -2.65 119.26 115.60 2dsa h ALA 124 Ca 0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2dsa h ALA 124 Cb 0.75 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2dsa h ALA 124 CO 0.06 0.20 0.12 0.28 0.00 0.00 0.00 179.25 179.91 2dsa h VAL 125 N 0.28 1.26 -0.57 0.00 2.07 -1.19 -2.47 116.25 115.63 2dsa h VAL 125 Ca 0.07 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2dsa h VAL 125 Cb 0.57 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2dsa h VAL 125 CO 0.03 0.38 0.27 0.03 0.02 0.00 0.00 177.57 178.31 2dsa h ARG 126 N 1.01 0.81 -0.16 1.57 3.08 -0.93 0.12 114.38 119.88 2dsa h ARG 126 Ca 0.20 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2dsa h ARG 126 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2dsa h ARG 126 CO 0.01 0.63 -0.04 0.37 -1.07 0.00 0.00 179.97 179.87 2dsa h GLN 127 N 0.81 0.31 -0.65 0.04 4.15 -1.30 -1.90 115.11 116.57 2dsa h GLN 127 Ca 0.20 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.54 2dsa h GLN 127 Cb 0.09 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 2dsa h GLN 127 CO -0.03 0.59 0.38 0.77 -1.93 0.00 0.00 178.83 178.62 2dsa h SER 128 N 0.02 0.60 -0.28 -0.69 0.02 -1.16 -2.57 113.55 109.50 2dsa h SER 128 Ca 0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2dsa h SER 128 Cb 0.47 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2dsa h SER 128 CO 0.02 0.41 0.15 -0.07 -1.14 0.00 0.00 176.83 176.20 2dsa h LEU 129 N 0.74 0.34 -0.85 5.07 3.38 -0.94 -0.77 115.31 122.28 2dsa h LEU 129 Ca 0.28 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.31 2dsa h LEU 129 Cb 0.10 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 2dsa h LEU 129 CO -0.14 0.33 0.43 0.78 0.09 0.00 0.00 178.44 179.93 2dsa h ASN 130 N 0.33 0.51 -0.07 -0.43 2.35 -1.15 0.37 115.58 117.48 2dsa h ASN 130 Ca 0.10 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2dsa h ASN 130 Cb 0.06 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2dsa h ASN 130 CO -0.02 0.20 -0.00 0.74 -1.65 0.00 0.00 177.43 176.70 2dsa h THR 131 N 0.60 1.26 -0.34 2.81 2.02 -1.05 -1.54 112.91 116.67 2dsa h THR 131 Ca 0.47 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2dsa h THR 131 Cb 0.67 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2dsa h THR 131 CO -0.37 0.23 -0.13 0.03 0.37 0.00 0.00 175.52 175.64 2dsa h ARG 132 N -0.18 0.61 -0.55 6.66 2.47 -0.52 -2.32 114.38 120.56 2dsa h ARG 132 Ca 0.02 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 2dsa h ARG 132 Cb 0.36 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2dsa h ARG 132 CO 0.00 0.72 0.13 -0.07 0.56 0.00 0.00 179.97 181.32 2dsa h LEU 133 N 0.55 0.83 -0.52 3.04 3.38 -0.29 -1.81 115.31 120.50 2dsa h LEU 133 Ca 0.10 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.93 2dsa h LEU 133 Cb 0.55 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2dsa h LEU 133 CO 0.04 0.85 0.06 1.23 0.09 0.00 0.00 178.44 180.71 2dsa h GLY 134 N 0.78 0.59 0.91 0.83 0.00 -0.97 0.12 103.07 105.32 2dsa h GLY 134 Ca 0.17 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.54 2dsa h GLY 134 CO 0.00 -0.11 0.23 -1.61 0.00 0.00 0.00 176.54 175.05 2dsa h GLN 135 N 0.18 0.46 -0.46 4.80 4.15 -1.14 -1.33 115.11 121.77 2dsa h GLN 135 Ca 0.26 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 2dsa h GLN 135 Cb 0.38 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2dsa h GLN 135 CO -0.38 0.30 0.09 0.28 -1.93 0.00 0.00 178.83 177.19 2dsa h VAL 136 N 0.47 1.24 -0.62 2.39 2.07 -1.04 -2.56 116.25 118.20 2dsa h VAL 136 Ca 0.16 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.92 2dsa h VAL 136 Cb 0.00 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 2dsa h VAL 136 CO -0.07 0.31 0.16 0.00 0.02 0.00 0.00 177.57 177.98 2dsa h ALA 137 N 0.96 0.76 -0.58 1.67 0.00 -0.61 -1.60 119.26 119.85 2dsa h ALA 137 Ca 0.14 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2dsa h ALA 137 Cb 0.36 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2dsa h ALA 137 CO 0.01 -0.28 0.20 0.00 0.00 0.00 0.00 179.25 179.17 2dsa h ARG 138 N 0.29 0.89 -0.68 0.00 2.47 -1.03 -2.51 114.38 113.81 2dsa h ARG 138 Ca 0.32 -0.18 0.09 0.00 -1.26 0.00 0.00 59.98 58.95 2dsa h ARG 138 Cb 0.48 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 2dsa h ARG 138 CO -0.39 0.79 0.32 0.37 0.56 0.00 0.00 179.97 181.62 2dsa h GLN 139 N 0.81 0.54 -0.15 0.04 5.75 -1.04 -1.56 115.11 119.50 2dsa h GLN 139 Ca 0.19 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2dsa h GLN 139 Cb 0.26 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2dsa h GLN 139 CO -0.01 0.35 0.00 1.28 -2.65 0.00 0.00 178.83 177.81 2dsa n LEU 140 N -4.89 0.52 0.05 -2.39 4.77 -0.65 -2.17 117.00 112.23 2dsa n LEU 140 Ca 0.10 -0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 55.77 2dsa n LEU 140 Cb 0.27 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 2dsa n LEU 140 CO 0.24 0.12 -0.06 -0.33 -1.33 0.00 0.00 177.39 176.04 2dsa h GLU 141 N 0.47 0.00 -0.00 3.23 5.08 -0.98 -3.39 114.58 119.00 2dsa h GLU 141 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2dsa h GLU 141 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2dsa h GLU 141 CO 0.00 0.67 -0.67 0.45 -1.00 0.00 0.00 179.01 178.46 2dsa h HIS 142 N 0.00 0.01 -2.45 4.33 3.86 -1.51 -3.47 115.15 115.91 2dsa h HIS 142 Ca -0.11 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2dsa h HIS 142 Cb 1.75 -0.00 -0.15 0.00 1.06 0.00 0.00 27.41 30.07 2dsa h HIS 142 CO 0.00 0.68 0.35 0.00 0.86 0.00 0.00 177.93 179.81 2dsa s ALA 143 N -3.48 -1.74 0.41 2.45 0.00 -1.25 -5.04 121.76 113.11 2dsa s ALA 143 Ca -0.01 0.91 0.34 0.00 0.00 0.00 0.00 51.96 53.20 2dsa s ALA 143 Cb 0.12 0.44 1.73 0.00 0.00 0.00 0.00 23.12 25.41 2dsa s ALA 143 CO 0.77 -0.64 2.14 -1.00 0.00 0.00 0.00 175.76 177.04 2dsa h PRO 144 N 2.19 0.00 -5.39 0.00 0.13 -1.83 -3.41 132.00 123.69 2dsa h PRO 144 Ca -0.27 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.42 2dsa h PRO 144 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2dsa h PRO 144 CO 0.35 0.05 -0.69 0.71 -0.23 0.00 0.00 178.00 178.19 2dsa s TYR 145 N -4.06 1.73 0.32 1.56 1.51 -0.61 -4.85 117.35 112.95 2dsa s TYR 145 Ca -0.02 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.37 2dsa s TYR 145 Cb 0.12 -0.93 0.66 0.00 -0.11 0.00 0.00 41.96 41.71 2dsa s TYR 145 CO 0.52 0.22 1.88 -0.07 -1.11 0.00 0.00 175.55 176.99 2dsa h LEU 146 N 2.45 0.80 -2.69 -1.29 4.07 -1.88 -2.18 115.31 114.58 2dsa h LEU 146 Ca -0.39 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2dsa h LEU 146 Cb 1.22 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2dsa h LEU 146 CO 0.65 0.45 0.00 0.18 -1.08 0.00 0.00 178.44 178.64 2dsa n LEU 147 N -4.55 3.37 0.00 1.67 4.77 -1.26 -5.00 117.00 116.00 2dsa n LEU 147 Ca 0.16 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 2dsa n LEU 147 Cb 0.34 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2dsa n LEU 147 CO 0.30 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2dsa n GLY 148 N 1.11 0.34 0.01 -0.72 0.00 -0.82 -4.84 105.19 100.26 2dsa n GLY 148 Ca 0.18 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 45.00 2dsa n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dsa n ASP 149 N 0.00 0.63 -4.57 1.61 8.00 -1.26 -1.57 116.55 119.38 2dsa n ASP 149 Ca 0.00 -0.40 -0.34 0.00 0.71 0.00 0.00 54.79 54.76 2dsa n ASP 149 Cb 0.00 0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 2dsa n ASP 149 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dsa s GLN 150 N -3.03 3.46 0.21 -1.24 2.00 -1.26 -4.89 119.66 114.92 2dsa s GLN 150 Ca 0.09 -0.47 -0.31 0.00 -2.00 0.00 0.00 55.36 52.68 2dsa s GLN 150 Cb 0.17 -2.90 -0.11 0.00 0.80 0.00 0.00 33.01 30.97 2dsa s GLN 150 CO 0.75 0.40 1.57 -1.17 -0.50 0.00 0.00 175.29 176.34 2dsa s LEU 151 N -0.06 4.37 0.38 3.68 2.96 -1.26 -4.72 118.68 124.03 2dsa s LEU 151 Ca 0.03 2.72 0.06 0.00 -0.22 0.00 0.00 54.13 56.72 2dsa s LEU 151 Cb -0.13 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 2dsa s LEU 151 CO 0.02 -0.84 0.03 -0.94 -1.32 0.00 0.00 176.35 173.30 2dsa s SER 152 N 0.88 3.41 0.53 3.68 1.04 -1.26 -4.46 113.70 117.51 2dsa s SER 152 Ca 0.67 -1.38 0.35 0.00 0.48 0.00 0.00 55.95 56.08 2dsa s SER 152 Cb -0.45 -0.29 1.91 0.00 0.10 0.00 0.00 66.02 67.29 2dsa s SER 152 CO 0.37 -0.51 2.08 -0.37 0.98 0.00 0.00 173.24 175.79 2dsa h VAL 153 N 1.87 0.00 -0.17 5.02 -1.51 -1.15 -1.25 116.25 119.07 2dsa h VAL 153 Ca -0.43 -0.02 -0.19 0.00 -1.23 0.00 0.00 66.70 64.83 2dsa h VAL 153 Cb 1.24 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2dsa h VAL 153 CO 0.77 0.00 -0.67 0.00 -1.23 0.00 0.00 177.57 176.44 2dsa h ALA 154 N 2.00 0.50 -0.62 5.19 0.00 -1.91 -1.67 119.26 122.75 2dsa h ALA 154 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2dsa h ALA 154 Cb 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2dsa h ALA 154 CO 0.00 0.70 0.15 -0.44 0.00 0.00 0.00 179.25 179.67 2dsa h ASP 155 N 0.48 0.94 0.03 0.00 5.19 -1.63 -1.28 116.42 120.14 2dsa h ASP 155 Ca -0.02 -0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2dsa h ASP 155 Cb 1.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2dsa h ASP 155 CO 0.13 0.93 -0.06 0.40 -3.12 0.00 0.00 179.24 177.52 2dsa h ILE 156 N 0.91 0.85 -0.36 0.35 2.04 -1.40 0.13 117.51 120.03 2dsa h ILE 156 Ca 0.20 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 2dsa h ILE 156 Cb 0.35 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2dsa h ILE 156 CO 0.00 0.00 0.15 0.22 0.00 0.00 0.00 178.15 178.53 2dsa h TYR 157 N -0.12 0.28 -0.63 1.37 3.20 -1.23 -2.13 116.97 117.71 2dsa h TYR 157 Ca 0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2dsa h TYR 157 Cb 0.13 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2dsa h TYR 157 CO -0.12 0.13 0.41 1.25 -1.64 0.00 0.00 178.16 178.20 2dsa h LEU 158 N 0.33 0.71 -0.84 2.82 5.85 -1.02 -1.97 115.31 121.19 2dsa h LEU 158 Ca 0.16 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2dsa h LEU 158 Cb 0.10 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 2dsa h LEU 158 CO -0.14 0.51 0.47 0.15 -0.34 0.00 0.00 178.44 179.09 2dsa h PHE 159 N 0.84 0.84 -0.01 1.25 3.57 -0.43 0.07 116.94 123.06 2dsa h PHE 159 Ca 0.24 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2dsa h PHE 159 Cb -0.07 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 2dsa h PHE 159 CO -0.03 0.30 0.00 0.28 -2.23 0.00 0.00 178.31 176.63 2dsa h VAL 160 N 0.75 1.23 -0.54 1.41 2.07 -0.77 -2.06 116.25 118.35 2dsa h VAL 160 Ca 0.42 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2dsa h VAL 160 Cb 0.45 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2dsa h VAL 160 CO -0.28 0.18 0.31 0.58 0.02 0.00 0.00 177.57 178.38 2dsa h VAL 161 N -0.27 1.17 0.00 2.57 2.07 -1.19 -2.30 116.25 118.31 2dsa h VAL 161 Ca 0.00 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2dsa h VAL 161 Cb 0.29 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2dsa h VAL 161 CO 0.00 0.18 -0.17 -0.07 0.02 0.00 0.00 177.57 177.53 2dsa h LEU 162 N 0.72 0.00 -0.66 2.57 3.38 -0.97 -2.13 115.31 118.22 2dsa h LEU 162 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2dsa h LEU 162 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2dsa h LEU 162 CO -0.03 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.28 2dsa n GLY 163 N -0.95 -1.27 0.08 0.83 0.00 -0.78 -1.85 105.19 101.25 2dsa n GLY 163 Ca -0.02 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2dsa n GLY 163 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dsa n TRP 164 N -2.20 0.67 -0.25 1.61 8.01 -0.80 -4.02 117.44 120.46 2dsa n TRP 164 Ca 0.02 0.19 0.09 0.00 -1.31 0.00 0.00 57.50 56.49 2dsa n TRP 164 Cb 0.23 -0.82 0.35 0.00 -2.01 0.00 0.00 31.31 29.06 2dsa n TRP 164 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2dsa h SER 165 N 0.00 0.70 0.01 -0.99 0.02 -1.51 -1.14 113.55 110.64 2dsa h SER 165 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2dsa h SER 165 Cb 0.67 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2dsa h SER 165 CO 0.00 0.41 -0.01 0.00 -1.14 0.00 0.00 176.83 176.09 2dsa h ALA 166 N 1.58 1.76 0.00 3.77 0.00 -1.74 0.16 119.26 124.79 2dsa h ALA 166 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2dsa h ALA 166 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dsa h ALA 166 CO -0.16 0.01 -0.86 0.66 0.00 0.00 0.00 179.25 178.90 2dsa n TYR 167 N -4.19 0.13 -0.49 0.00 4.02 -0.44 -4.04 117.16 112.15 2dsa n TYR 167 Ca -0.03 0.04 0.05 0.00 -0.01 0.00 0.00 57.90 57.95 2dsa n TYR 167 Cb 0.09 -0.29 0.07 0.00 -0.02 0.00 0.00 39.34 39.19 2dsa n TYR 167 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2dsa n VAL 168 N -1.73 1.41 -3.01 -0.72 0.24 -1.03 -4.99 118.33 108.51 2dsa n VAL 168 Ca 0.03 -1.57 -0.16 0.00 -2.04 0.00 0.00 64.34 60.60 2dsa n VAL 168 Cb 0.38 0.16 0.04 0.00 -1.47 0.00 0.00 33.84 32.95 2dsa n VAL 168 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2dsa n ASN 169 N -0.89 -4.94 -4.56 -1.34 2.85 -0.82 -5.01 115.26 100.55 2dsa n ASN 169 Ca 0.08 -0.28 -0.39 0.00 -0.11 0.00 0.00 54.58 53.87 2dsa n ASN 169 Cb 0.44 -3.68 -0.11 0.00 1.24 0.00 0.00 39.78 37.67 2dsa n ASN 169 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2dsa s ILE 170 N -3.10 5.29 -0.12 -1.44 1.01 -0.02 -5.04 121.20 117.78 2dsa s ILE 170 Ca 0.30 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.73 2dsa s ILE 170 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2dsa s ILE 170 CO 0.38 0.12 0.73 -0.62 0.00 0.00 0.00 174.94 175.55 2dsa s ASP 171 N 1.74 6.93 0.00 3.58 2.15 -1.26 -4.26 116.67 125.55 2dsa s ASP 171 Ca 0.07 1.13 0.28 0.00 0.43 0.00 0.00 52.55 54.45 2dsa s ASP 171 Cb -0.17 -2.42 1.06 0.00 -0.30 0.00 0.00 42.92 41.10 2dsa s ASP 171 CO 0.11 -0.24 1.75 0.18 -0.17 0.00 0.00 175.17 176.80 2dsa n LEU 172 N 4.47 1.47 -0.29 -1.34 4.32 -1.26 -4.45 117.00 119.92 2dsa n LEU 172 Ca 0.01 -0.49 0.12 0.00 -0.02 0.00 0.00 56.01 55.63 2dsa n LEU 172 Cb 0.50 -0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.67 2dsa n LEU 172 CO 0.47 0.25 1.22 0.28 -1.22 0.00 0.00 177.39 178.38 2dsa h SER 173 N 2.29 0.68 0.03 -1.43 0.02 -2.00 -1.85 113.55 111.29 2dsa h SER 173 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2dsa h SER 173 Cb 0.49 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dsa h SER 173 CO 0.00 0.32 0.00 -2.65 -1.14 0.00 0.00 176.83 173.36 2dsa n PRO 174 N -4.60 0.11 -3.81 3.45 -0.02 -1.26 -3.90 135.00 124.97 2dsa n PRO 174 Ca 0.19 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 2dsa n PRO 174 Cb 0.50 -1.86 -0.13 0.00 -0.02 0.00 0.00 33.50 31.99 2dsa n PRO 174 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2dsa s TRP 175 N -3.43 2.63 0.38 6.00 0.51 -0.70 -4.99 118.94 119.34 2dsa s TRP 175 Ca -0.02 -2.85 0.17 0.00 -2.12 0.00 0.00 56.10 51.28 2dsa s TRP 175 Cb 0.05 -2.30 1.08 0.00 -0.81 0.00 0.00 33.47 31.49 2dsa s TRP 175 CO 0.17 -0.73 1.74 -1.35 -0.51 0.00 0.00 176.95 176.27 2dsa h PRO 176 N 6.32 0.40 0.00 4.98 0.11 -1.78 -0.51 132.00 141.52 2dsa h PRO 176 Ca 0.01 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 2dsa h PRO 176 Cb 0.88 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2dsa h PRO 176 CO 0.59 0.26 -0.42 0.66 -0.21 0.00 0.00 178.00 178.88 2dsa h SER 177 N 0.41 0.00 0.38 -2.05 4.64 -1.89 -0.56 113.55 114.48 2dsa h SER 177 Ca 0.63 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.78 2dsa h SER 177 Cb 1.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 2dsa h SER 177 CO -0.37 0.42 -0.72 -0.07 -0.87 0.00 0.00 176.83 175.23 2dsa h LEU 178 N 0.00 0.34 -0.17 5.97 3.38 -1.40 -1.89 115.31 121.55 2dsa h LEU 178 Ca -0.00 -0.23 -0.21 0.00 0.09 0.00 0.00 57.88 57.53 2dsa h LEU 178 Cb 0.78 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2dsa h LEU 178 CO 0.06 0.95 -0.72 1.56 0.09 0.00 0.00 178.44 180.37 2dsa h GLN 179 N 0.20 0.78 -0.81 1.13 4.20 -1.31 -1.52 115.11 117.79 2dsa h GLN 179 Ca -0.02 -0.62 0.01 0.00 0.06 0.00 0.00 58.65 58.07 2dsa h GLN 179 Cb 1.28 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 2dsa h GLN 179 CO 0.11 1.23 0.53 0.00 -0.67 0.00 0.00 178.83 180.04 2dsa h ALA 180 N 0.56 1.02 0.48 3.87 0.00 -1.14 -2.01 119.26 122.04 2dsa h ALA 180 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2dsa h ALA 180 Cb 1.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dsa h ALA 180 CO 0.15 0.44 -0.23 0.35 0.00 0.00 0.00 179.25 179.96 2dsa h PHE 181 N 1.10 -0.60 -0.60 0.00 3.57 -1.33 -1.69 116.94 117.38 2dsa h PHE 181 Ca 0.30 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.90 2dsa h PHE 181 Cb -0.12 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 38.71 2dsa h PHE 181 CO -0.01 -0.35 -0.21 1.96 -2.23 0.00 0.00 178.31 177.46 2dsa h GLN 182 N -0.70 -0.06 -0.38 1.11 1.08 -1.18 -0.92 115.11 114.06 2dsa h GLN 182 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2dsa h GLN 182 Cb 0.52 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2dsa h GLN 182 CO 0.11 -0.04 0.25 0.78 -0.95 0.00 0.00 178.83 178.98 2dsa h GLY 183 N -0.06 0.54 1.05 3.46 0.00 -1.32 0.41 103.07 107.16 2dsa h GLY 183 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2dsa h GLY 183 CO -0.65 0.19 0.49 -0.09 0.00 0.00 0.00 176.54 176.49 2dsa h ARG 184 N 0.52 1.24 0.03 4.80 2.43 -0.63 -2.99 114.38 119.77 2dsa h ARG 184 Ca 0.14 -0.14 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2dsa h ARG 184 Cb -0.06 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.21 2dsa h ARG 184 CO -0.03 0.90 -1.55 0.28 -1.51 0.00 0.00 179.97 178.06 2dsa h VAL 185 N 1.24 1.07 -0.08 0.20 2.07 -1.07 -3.38 116.25 116.30 2dsa h VAL 185 Ca 0.31 -2.84 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 2dsa h VAL 185 Cb 0.02 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2dsa h VAL 185 CO -0.05 0.68 0.02 1.23 0.02 0.00 0.00 177.57 179.47 2dsa h GLY 186 N 2.91 0.11 -2.13 2.17 0.00 -0.07 -3.06 103.07 103.01 2dsa h GLY 186 Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2dsa h GLY 186 CO 0.10 0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.30 2dsa n GLY 187 N -1.44 1.61 3.77 4.60 0.00 -1.14 -4.46 105.19 108.14 2dsa n GLY 187 Ca -0.02 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.45 3.90 0.07 1.61 0.52 -1.16 -4.93 118.95 117.51 2dsa s ARG 188 Ca 0.39 1.76 -0.23 0.00 -0.52 0.00 0.00 55.73 57.14 2dsa s ARG 188 Cb 0.22 -2.50 -0.14 0.00 0.52 0.00 0.00 34.95 33.05 2dsa s ARG 188 CO 0.30 -0.43 1.62 1.05 0.02 0.00 0.00 175.30 177.86 2dsa h GLU 189 N 2.28 0.10 -1.00 3.54 4.11 -1.92 -2.02 114.58 119.67 2dsa h GLU 189 Ca -0.49 -0.02 0.18 0.00 0.07 0.00 0.00 59.36 59.10 2dsa h GLU 189 Cb 1.24 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 2dsa h GLU 189 CO 0.61 0.20 0.62 0.00 0.07 0.00 0.00 179.01 180.51 2dsa h ALA 190 N 0.89 1.67 -0.08 1.06 0.00 -1.93 0.31 119.26 121.18 2dsa h ALA 190 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2dsa h ALA 190 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dsa h ALA 190 CO -0.00 -0.02 -0.03 0.28 0.00 0.00 0.00 179.25 179.48 2dsa h VAL 191 N 0.79 1.31 -0.22 0.00 2.07 -1.82 -1.71 116.25 116.67 2dsa h VAL 191 Ca 0.56 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2dsa h VAL 191 Cb 0.85 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 2dsa h VAL 191 CO -0.36 0.28 -0.02 1.56 0.02 0.00 0.00 177.57 179.04 2dsa h GLN 192 N -0.20 0.04 -0.71 1.57 1.08 -0.75 -0.72 115.11 115.42 2dsa h GLN 192 Ca 0.02 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 2dsa h GLN 192 Cb 0.45 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 2dsa h GLN 192 CO 0.01 0.03 0.47 0.77 -0.95 0.00 0.00 178.83 179.16 2dsa h SER 193 N 0.04 0.41 -0.07 1.46 0.02 -0.34 0.11 113.55 115.19 2dsa h SER 193 Ca 0.10 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 2dsa h SER 193 Cb 0.14 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.63 2dsa h SER 193 CO -0.20 0.23 -0.57 0.00 -1.14 0.00 0.00 176.83 175.16 2dsa h ALA 194 N 1.66 0.17 -0.34 3.77 0.00 -0.83 -1.57 119.26 122.10 2dsa h ALA 194 Ca 0.34 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2dsa h ALA 194 Cb 0.70 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2dsa h ALA 194 CO -0.11 0.40 0.17 -0.07 0.00 0.00 0.00 179.25 179.64 2dsa h LEU 195 N 0.09 0.45 0.04 0.00 -0.00 -0.46 -2.26 115.31 113.18 2dsa h LEU 195 Ca -0.05 -0.12 0.02 0.00 -0.00 0.00 0.00 57.88 57.73 2dsa h LEU 195 Cb 1.23 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 2dsa h LEU 195 CO 0.12 0.44 -0.18 0.03 -0.00 0.00 0.00 178.44 178.85 2dsa h ARG 196 N 0.42 -0.31 0.00 1.13 3.08 -0.86 -0.12 114.38 117.72 2dsa h ARG 196 Ca 0.12 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2dsa h ARG 196 Cb 0.11 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2dsa h ARG 196 CO -0.02 -0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.68 2dsa h ALA 197 N 0.56 1.00 -0.02 0.04 0.00 -1.19 -0.62 119.26 119.02 2dsa h ALA 197 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dsa h ALA 197 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dsa h ALA 197 CO -0.14 0.00 -0.07 0.39 0.00 0.00 0.00 179.25 179.42 2dsa n GLU 198 N -2.78 1.77 -2.80 0.00 1.02 -0.77 -5.00 120.64 112.07 2dsa n GLU 198 Ca -0.02 -1.57 -0.09 0.00 -0.02 0.00 0.00 57.16 55.46 2dsa n GLU 198 Cb 0.06 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.17 0.08 0.00 0.62 0.00 -0.24 -4.79 105.19 102.04 2dsa n GLY 199 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2dsa n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36