#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwv s ASN -1 N 0.00 6.43 0.53 4.04 0.01 -1.26 -5.28 114.94 119.41 2qwv s ASN -1 Ca 0.00 1.36 -0.14 0.00 -0.71 0.00 0.00 52.86 53.37 2qwv s ASN -1 Cb 0.00 -2.43 -0.07 0.00 0.41 0.00 0.00 41.25 39.16 2qwv s ASN -1 CO 0.00 -0.65 0.97 0.00 -1.51 0.00 0.00 177.10 175.92 2qwv s ALA 0 N -2.78 3.11 0.16 0.60 0.00 -1.26 -5.21 121.76 116.38 2qwv s ALA 0 Ca 0.55 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2qwv s ALA 0 Cb -0.10 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2qwv s ALA 0 CO 0.40 -0.34 0.04 0.50 0.00 0.00 0.00 175.76 176.36 2qwv s ARG 2 N -4.38 1.03 0.15 0.00 3.52 -1.26 -5.25 118.95 112.76 2qwv s ARG 2 Ca 0.57 -1.50 -0.31 0.00 -0.13 0.00 0.00 55.73 54.36 2qwv s ARG 2 Cb -0.10 0.04 -0.09 0.00 -1.56 0.00 0.00 34.95 33.24 2qwv s ARG 2 CO 0.38 -0.22 1.45 -0.80 -0.81 0.00 0.00 175.30 175.30 2qwv s ASN 3 N -3.11 6.73 0.00 -2.12 0.01 -1.26 -5.04 114.94 110.15 2qwv s ASN 3 Ca 0.26 2.46 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 2qwv s ASN 3 Cb 0.07 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2qwv s ASN 3 CO 0.04 -0.71 0.00 0.35 -1.51 0.00 0.00 177.10 175.27 2qwv n THR 4 N 3.71 0.00 -3.64 1.60 -2.24 -1.26 -5.08 114.28 107.37 2qwv n THR 4 Ca 0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 2qwv n THR 4 Cb 0.41 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 2qwv n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qwv s ARG 6 N 1.82 0.73 0.17 -0.78 0.52 -1.05 -4.81 118.95 115.56 2qwv s ARG 6 Ca 0.00 1.17 0.09 0.00 -0.52 0.00 0.00 55.73 56.47 2qwv s ARG 6 Cb 0.00 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 2qwv s ARG 6 CO 0.00 -0.14 -0.18 -1.12 0.02 0.00 0.00 175.30 173.88 2qwv s SER 7 N 1.35 2.74 0.04 0.23 0.01 -0.50 -1.60 113.70 115.96 2qwv s SER 7 Ca -0.08 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.33 2qwv s SER 7 Cb -0.05 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 2qwv s SER 7 CO -0.15 -0.04 -0.09 -0.36 0.41 0.00 0.00 173.24 173.02 2qwv s PHE 8 N -2.12 0.75 -0.17 2.43 0.08 -0.54 -1.72 117.98 116.68 2qwv s PHE 8 Ca 0.17 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 2qwv s PHE 8 Cb -0.05 -0.44 0.04 0.00 -0.57 0.00 0.00 43.02 41.99 2qwv s PHE 8 CO 0.07 -0.05 -0.08 0.42 -0.10 0.00 0.00 175.22 175.49 2qwv s ILE 9 N -1.13 1.29 -0.39 0.64 1.01 0.26 -0.65 121.20 122.23 2qwv s ILE 9 Ca -0.06 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 2qwv s ILE 9 Cb -0.09 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.00 2qwv s ILE 9 CO 0.01 0.20 0.38 -0.22 0.00 0.00 0.00 174.94 175.31 2qwv s LEU 10 N 1.56 4.77 -0.81 2.97 2.96 -0.13 -0.82 118.68 129.18 2qwv s LEU 10 Ca 0.01 -0.57 -0.21 0.00 -0.22 0.00 0.00 54.13 53.14 2qwv s LEU 10 Cb -0.15 -2.33 0.09 0.00 0.50 0.00 0.00 46.19 44.31 2qwv s LEU 10 CO -0.08 -0.47 1.09 -0.60 -1.32 0.00 0.00 176.35 174.96 2qwv s ARG 11 N 2.01 3.37 -1.06 1.98 3.52 -0.44 -0.95 118.95 127.38 2qwv s ARG 11 Ca 0.11 -1.26 -0.12 0.00 -0.13 0.00 0.00 55.73 54.33 2qwv s ARG 11 Cb -0.17 -4.64 0.22 0.00 -1.56 0.00 0.00 34.95 28.80 2qwv s ARG 11 CO 0.12 -1.84 1.14 0.00 -0.81 0.00 0.00 175.30 173.90 2qwv s ALA 12 N 3.59 4.26 0.18 6.12 0.00 -0.39 -2.29 121.76 133.23 2qwv s ALA 12 Ca 0.29 -3.50 0.02 0.00 0.00 0.00 0.00 51.96 48.77 2qwv s ALA 12 Cb -0.10 -3.76 0.06 0.00 0.00 0.00 0.00 23.12 19.32 2qwv s ALA 12 CO -0.00 -2.46 1.43 -0.09 0.00 0.00 0.00 175.76 174.63 2qwv h ARG 13 N 7.25 0.26 0.00 0.00 2.43 -1.93 -1.68 114.38 120.71 2qwv h ARG 13 Ca 0.20 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qwv h ARG 13 Cb 0.92 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2qwv h ARG 13 CO 1.04 0.92 0.00 -1.13 -1.51 0.00 0.00 179.97 179.29 2qwv n SER 14 N -3.75 0.00 -4.66 -3.80 3.41 -1.26 -2.97 113.62 100.60 2qwv n SER 14 Ca -0.04 -0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 2qwv n SER 14 Cb 0.74 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 2qwv n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qwv s ALA 15 N -2.54 3.59 0.28 7.33 0.00 -1.00 -4.79 121.76 124.63 2qwv s ALA 15 Ca 0.28 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2qwv s ALA 15 Cb 0.19 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 2qwv s ALA 15 CO 0.43 -0.79 1.47 -0.35 0.00 0.00 0.00 175.76 176.52 2qwv n PRO 16 N 5.62 2.33 0.00 0.00 -0.04 -1.26 -1.53 135.00 140.11 2qwv n PRO 16 Ca 0.05 0.83 0.14 0.00 -0.04 0.00 0.00 63.50 64.47 2qwv n PRO 16 Cb 0.48 -2.52 0.59 0.00 -0.04 0.00 0.00 33.50 32.01 2qwv n PRO 16 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qwv n THR 17 N 1.72 0.00 -2.98 0.52 -2.24 -0.53 -4.70 114.28 106.07 2qwv n THR 17 Ca 0.09 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 2qwv n THR 17 Cb 0.34 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 2qwv n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qwv s ASP 18 N -2.49 6.62 0.30 3.42 -1.08 -1.26 -4.96 116.67 117.21 2qwv s ASP 18 Ca 0.28 0.60 0.01 0.00 -0.52 0.00 0.00 52.55 52.92 2qwv s ASP 18 Cb 0.20 -2.39 0.71 0.00 -1.46 0.00 0.00 42.92 39.98 2qwv s ASP 18 CO 0.48 -0.59 1.60 -1.28 0.52 0.00 0.00 175.17 175.90 2qwv h SER 19 N 8.14 -0.34 0.08 -0.34 0.87 -1.90 -1.50 113.55 118.56 2qwv h SER 19 Ca -0.25 0.25 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2qwv h SER 19 Cb 1.10 0.41 0.02 0.00 -0.44 0.00 0.00 62.40 63.50 2qwv h SER 19 CO 0.87 -0.29 -0.83 -0.61 -0.53 0.00 0.00 176.83 175.44 2qwv h GLN 20 N 0.06 0.42 0.00 2.24 5.75 -1.97 -3.05 115.11 118.56 2qwv h GLN 20 Ca 0.57 -0.56 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2qwv h GLN 20 Cb 1.16 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.89 2qwv h GLN 20 CO -0.82 1.22 0.00 0.54 -2.65 0.00 0.00 178.83 177.12 2qwv n ARG 21 N -4.09 0.14 0.00 1.69 5.12 -0.92 -1.64 116.66 116.97 2qwv n ARG 21 Ca -0.12 0.59 -0.09 0.00 -1.93 0.00 0.00 57.85 56.30 2qwv n ARG 21 Cb 0.80 -1.92 -0.07 0.00 -1.16 0.00 0.00 32.46 30.11 2qwv n ARG 21 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2qwv h LEU 22 N 0.00 -0.10 -2.30 0.55 5.85 -1.19 -3.15 115.31 114.98 2qwv h LEU 22 Ca 0.00 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2qwv h LEU 22 Cb 0.06 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2qwv h LEU 22 CO 0.00 0.55 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.54 2qwv h LEU 23 N -0.95 0.00 -0.95 2.25 3.38 -1.42 -1.94 115.31 115.69 2qwv h LEU 23 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2qwv h LEU 23 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qwv h LEU 23 CO 0.02 0.03 -0.37 0.44 0.09 0.00 0.00 178.44 178.66 2qwv h ASP 24 N 0.00 0.32 -0.05 -0.43 3.32 -1.39 -3.21 116.42 114.97 2qwv h ASP 24 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2qwv h ASP 24 Cb 0.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qwv h ASP 24 CO 0.00 0.67 0.00 -0.62 -1.72 0.00 0.00 179.24 177.57 2qwv n GLU 25 N -4.06 1.33 -1.79 3.56 -0.58 -0.73 -4.52 120.64 113.85 2qwv n GLU 25 Ca -0.01 -0.48 -0.43 0.00 -0.42 0.00 0.00 57.16 55.82 2qwv n GLU 25 Cb 0.46 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 2qwv n GLU 25 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2qwv s ILE 26 N -1.94 3.23 0.00 -3.67 -1.09 -1.22 -1.14 121.20 115.38 2qwv s ILE 26 Ca 0.34 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 2qwv s ILE 26 Cb 0.17 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 2qwv s ILE 26 CO 0.27 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 2qwv n GLY 27 N 5.00 1.37 3.97 6.18 0.00 -1.26 -4.93 105.19 115.51 2qwv n GLY 27 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 2qwv n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qwv s GLY 28 N -2.00 1.76 0.53 -0.02 0.00 -0.29 -4.90 107.32 102.40 2qwv s GLY 28 Ca 0.00 -1.51 0.30 0.00 0.00 0.00 0.00 44.72 43.51 2qwv s GLY 28 CO 0.00 -0.97 1.90 0.07 0.00 0.00 0.00 173.10 174.10 2qwv h LYS 29 N -0.59 0.02 0.00 2.90 5.09 -1.94 0.45 116.57 122.49 2qwv h LYS 29 Ca -0.39 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 2qwv h LYS 29 Cb 1.27 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.60 2qwv h LYS 29 CO 0.44 0.02 -0.05 0.00 -2.09 0.00 0.00 179.45 177.77 2qwv n HIS 31 N -1.78 -2.47 0.83 0.00 -0.00 0.16 -4.78 115.22 107.17 2qwv n HIS 31 Ca 0.06 1.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.92 2qwv n HIS 31 Cb 0.37 -2.96 0.51 0.00 -0.00 0.00 0.00 29.99 27.91 2qwv n HIS 31 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2qwv n THR 32 N -1.82 0.27 -0.12 1.59 -1.04 -0.71 -3.45 114.28 109.00 2qwv n THR 32 Ca -0.18 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2qwv n THR 32 Cb 0.64 -0.51 0.26 0.00 -1.82 0.00 0.00 70.33 68.89 2qwv n THR 32 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2qwv h GLU 33 N 0.00 0.79 -0.82 -2.82 3.07 -1.90 -3.05 114.58 109.86 2qwv h GLU 33 Ca 0.00 -0.11 0.17 0.00 -0.50 0.00 0.00 59.36 58.92 2qwv h GLU 33 Cb 0.61 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.31 2qwv h GLU 33 CO 0.00 0.63 0.54 -0.84 -1.40 0.00 0.00 179.01 177.94 2qwv h ILE 34 N 0.79 0.76 -0.43 3.13 3.07 -1.94 -0.58 117.51 122.31 2qwv h ILE 34 Ca 0.19 -0.15 -0.00 0.00 1.55 0.00 0.00 64.86 66.45 2qwv h ILE 34 Cb 0.12 0.29 -0.02 0.00 -0.27 0.00 0.00 36.82 36.93 2qwv h ILE 34 CO -0.02 0.08 0.27 -0.07 -1.05 0.00 0.00 178.15 177.36 2qwv h LEU 35 N 0.43 0.51 -0.33 0.16 3.38 -1.79 -0.13 115.31 117.54 2qwv h LEU 35 Ca 0.41 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 2qwv h LEU 35 Cb 0.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2qwv h LEU 35 CO -0.14 0.41 -0.06 0.00 0.09 0.00 0.00 178.44 178.73 2qwv h ALA 36 N 1.13 0.46 -0.81 1.53 0.00 -1.30 -2.87 119.26 117.40 2qwv h ALA 36 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qwv h ALA 36 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2qwv h ALA 36 CO -0.03 0.28 0.45 0.45 0.00 0.00 0.00 179.25 180.39 2qwv h HIS 37 N 0.42 1.10 -0.02 0.00 3.86 -1.17 -3.42 115.15 115.92 2qwv h HIS 37 Ca 0.09 -0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.77 2qwv h HIS 37 Cb 0.55 -0.35 0.12 0.00 1.06 0.00 0.00 27.41 28.78 2qwv h HIS 37 CO 0.05 0.77 1.23 0.00 0.86 0.00 0.00 177.93 180.84 2qwv n ASN 41 N 10.64 0.00 0.17 0.00 3.02 -1.26 -4.63 115.26 123.20 2qwv n ASN 41 Ca 0.46 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 55.14 2qwv n ASN 41 Cb 0.43 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.85 2qwv n ASN 41 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qwv h SER 42 N 0.00 0.00 0.00 6.41 4.64 -1.92 -3.38 113.55 119.29 2qwv h SER 42 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2qwv h SER 42 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qwv h SER 42 CO 0.00 0.00 -0.49 0.18 -0.87 0.00 0.00 176.83 175.65 2qwv n LEU 43 N -2.74 0.00 -4.28 5.97 4.77 -1.26 -4.89 117.00 114.57 2qwv n LEU 43 Ca 0.04 -0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 2qwv n LEU 43 Cb 0.49 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 2qwv n LEU 43 CO 0.33 0.00 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.49 2qwv s PHE 44 N -1.39 2.53 0.37 -1.77 0.08 -1.26 -0.50 117.98 116.04 2qwv s PHE 44 Ca 0.00 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.34 2qwv s PHE 44 Cb 0.00 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2qwv s PHE 44 CO 0.00 -0.23 0.27 0.25 -0.10 0.00 0.00 175.22 175.40 2qwv n THR 45 N 3.10 0.00 0.46 0.64 -2.24 -0.81 -4.71 114.28 110.72 2qwv n THR 45 Ca -0.18 -1.49 -0.19 0.00 -2.27 0.00 0.00 64.05 59.92 2qwv n THR 45 Cb 0.52 -0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 2qwv n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qwv h ALA 46 N 0.72 -1.16 0.43 6.98 0.00 -2.00 -3.35 119.26 120.87 2qwv h ALA 46 Ca -0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2qwv h ALA 46 Cb 0.86 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2qwv h ALA 46 CO 0.37 -1.14 -0.21 1.96 0.00 0.00 0.00 179.25 180.24 2qwv h GLN 47 N -1.19 -0.56 0.00 0.00 4.20 -2.04 -3.48 115.11 112.04 2qwv h GLN 47 Ca -0.12 0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 2qwv h GLN 47 Cb 0.89 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 2qwv h GLN 47 CO 0.20 -0.26 -0.11 0.43 -0.67 0.00 0.00 178.83 178.41 2qwv n SER 48 N -5.24 1.58 -4.91 1.46 7.64 -1.26 -5.13 113.62 107.76 2qwv n SER 48 Ca -0.11 -1.51 -0.29 0.00 1.01 0.00 0.00 58.87 57.97 2qwv n SER 48 Cb 0.29 0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 2qwv n SER 48 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2qwv s HIS 49 N -1.69 3.47 0.30 1.43 -3.43 -1.26 -1.93 115.29 112.19 2qwv s HIS 49 Ca 0.03 0.59 -0.28 0.00 -0.80 0.00 0.00 55.06 54.60 2qwv s HIS 49 Cb 0.00 -2.05 -0.09 0.00 -1.43 0.00 0.00 32.58 29.01 2qwv s HIS 49 CO 0.02 0.27 1.02 1.03 -2.00 0.00 0.00 174.74 175.08 2qwv s ARG 50 N -3.29 4.58 0.35 -0.38 0.52 0.35 -4.85 118.95 116.22 2qwv s ARG 50 Ca 0.43 1.57 -0.21 0.00 -0.52 0.00 0.00 55.73 57.00 2qwv s ARG 50 Cb -0.11 -2.99 -0.10 0.00 0.52 0.00 0.00 34.95 32.27 2qwv s ARG 50 CO 0.28 0.22 0.87 -1.21 0.02 0.00 0.00 175.30 175.48 2qwv s GLU 51 N -1.73 4.27 -0.95 3.54 2.02 -1.26 -4.49 118.70 120.10 2qwv s GLU 51 Ca 0.48 1.03 -0.04 0.00 0.02 0.00 0.00 54.97 56.46 2qwv s GLU 51 Cb -0.26 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 2qwv s GLU 51 CO 0.33 0.15 0.85 -0.25 0.02 0.00 0.00 175.26 176.35 2qwv n ASP 52 N -0.10 -7.03 -3.94 -0.19 10.43 -1.26 -4.89 116.55 109.57 2qwv n ASP 52 Ca 0.04 -0.50 -0.13 0.00 2.57 0.00 0.00 54.79 56.77 2qwv n ASP 52 Cb 0.52 -5.24 -0.13 0.00 1.84 0.00 0.00 41.12 38.11 2qwv n ASP 52 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2qwv s VAL 53 N -3.26 0.23 -0.05 2.53 1.01 -1.26 -2.53 120.40 117.06 2qwv s VAL 53 Ca 0.31 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2qwv s VAL 53 Cb -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.12 2qwv s VAL 53 CO 0.74 -0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 175.03 2qwv s VAL 54 N -0.42 0.60 -0.09 2.92 1.01 -0.63 -1.30 120.40 122.48 2qwv s VAL 54 Ca -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2qwv s VAL 54 Cb -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2qwv s VAL 54 CO -0.00 0.25 -0.08 -0.51 0.00 0.00 0.00 175.10 174.76 2qwv s ILE 55 N 1.10 3.61 -0.19 2.22 2.07 -0.60 -1.47 121.20 127.94 2qwv s ILE 55 Ca -0.08 -0.50 -0.03 0.00 -1.41 0.00 0.00 60.65 58.64 2qwv s ILE 55 Cb -0.14 -2.50 -0.01 0.00 0.13 0.00 0.00 42.46 39.94 2qwv s ILE 55 CO -0.01 0.57 -0.07 -1.00 -1.91 0.00 0.00 174.94 172.51 2qwv s HIS 56 N -0.41 2.92 -0.22 3.50 3.76 0.17 -1.25 115.29 123.77 2qwv s HIS 56 Ca 0.06 -0.90 -0.05 0.00 -0.15 0.00 0.00 55.06 54.02 2qwv s HIS 56 Cb -0.12 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 2qwv s HIS 56 CO 0.02 -0.47 -0.02 -0.51 -0.85 0.00 0.00 174.74 172.92 2qwv s LEU 57 N 1.16 3.08 -0.46 0.89 1.43 0.34 -0.96 118.68 124.17 2qwv s LEU 57 Ca 0.02 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2qwv s LEU 57 Cb -0.14 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.39 2qwv s LEU 57 CO -0.02 0.01 0.33 -0.69 0.23 0.00 0.00 176.35 176.22 2qwv s VAL 58 N 1.31 4.34 -0.32 -1.59 1.01 -0.12 0.15 120.40 125.18 2qwv s VAL 58 Ca 0.04 -1.62 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 2qwv s VAL 58 Cb -0.14 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2qwv s VAL 58 CO -0.00 -0.69 0.75 -0.76 0.00 0.00 0.00 175.10 174.39 2qwv s LEU 59 N 1.41 4.11 -0.23 3.92 1.02 -0.01 -1.26 118.68 127.64 2qwv s LEU 59 Ca 0.05 0.54 0.02 0.00 0.02 0.00 0.00 54.13 54.76 2qwv s LEU 59 Cb -0.25 -3.00 -0.15 0.00 0.02 0.00 0.00 46.19 42.80 2qwv s LEU 59 CO 0.01 -0.61 -0.19 -0.62 0.02 0.00 0.00 176.35 174.96 2qwv n GLU 60 N 6.17 0.59 -1.57 1.70 1.02 -0.67 -1.85 120.64 126.04 2qwv n GLU 60 Ca 0.02 0.13 -0.37 0.00 -0.02 0.00 0.00 57.16 56.92 2qwv n GLU 60 Cb 0.48 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 2qwv n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2qwv s SER 61 N -6.17 4.57 0.11 1.62 0.15 -0.58 -4.60 113.70 108.80 2qwv s SER 61 Ca -0.30 1.18 -0.11 0.00 0.70 0.00 0.00 55.95 57.42 2qwv s SER 61 Cb 0.08 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2qwv s SER 61 CO 0.53 -2.76 0.28 0.28 1.20 0.00 0.00 173.24 172.77 2qwv s THR 62 N 11.70 0.11 -0.29 6.45 -1.32 -1.26 -1.45 115.64 129.58 2qwv s THR 62 Ca 0.98 -1.03 0.21 0.00 -1.21 0.00 0.00 61.69 60.63 2qwv s THR 62 Cb -0.19 -1.38 0.12 0.00 -1.51 0.00 0.00 72.50 69.54 2qwv s THR 62 CO 0.27 -0.48 1.30 0.08 -2.21 0.00 0.00 174.62 173.58 2qwv h ARG 63 N 2.59 0.00 0.00 7.08 -0.00 -2.01 -3.47 114.38 118.56 2qwv h ARG 63 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 2qwv h ARG 63 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2qwv h ARG 63 CO 0.52 0.11 0.00 -0.40 -0.00 0.00 0.00 179.97 180.20 2qwv n ASP 64 N -2.95 0.00 -4.81 0.08 5.75 -1.26 -5.14 116.55 108.22 2qwv n ASP 64 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.50 2qwv n ASP 64 Cb 0.60 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.64 2qwv n ASP 64 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2qwv s TYR 65 N 0.60 3.24 0.52 2.11 2.02 -1.26 -5.10 117.35 119.48 2qwv s TYR 65 Ca 0.00 0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.60 2qwv s TYR 65 Cb 0.00 -1.61 -0.07 0.00 -0.40 0.00 0.00 41.96 39.88 2qwv s TYR 65 CO 0.00 0.53 1.02 -1.54 -1.57 0.00 0.00 175.55 173.99 2qwv s SER 66 N -2.64 6.27 -0.21 2.29 1.04 -1.26 -4.87 113.70 114.32 2qwv s SER 66 Ca 0.31 1.79 -0.08 0.00 0.48 0.00 0.00 55.95 58.45 2qwv s SER 66 Cb -0.12 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2qwv s SER 66 CO 0.24 -0.83 0.08 -0.13 0.98 0.00 0.00 173.24 173.57 2qwv s ARG 67 N -3.69 3.88 -0.42 4.02 1.81 -0.77 -4.13 118.95 119.65 2qwv s ARG 67 Ca 0.64 -0.38 -0.13 0.00 -1.72 0.00 0.00 55.73 54.14 2qwv s ARG 67 Cb -0.14 -3.29 0.05 0.00 -0.45 0.00 0.00 34.95 31.12 2qwv s ARG 67 CO 0.27 0.10 0.29 0.99 -0.68 0.00 0.00 175.30 176.27 2qwv s THR 68 N 0.86 4.85 -0.39 0.02 2.01 0.08 -0.83 115.64 122.25 2qwv s THR 68 Ca 0.04 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 2qwv s THR 68 Cb -0.14 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2qwv s THR 68 CO 0.02 -0.40 0.37 -0.63 -0.69 0.00 0.00 174.62 173.29 2qwv s ILE 69 N 1.58 5.16 -0.36 1.82 1.01 0.12 -1.85 121.20 128.69 2qwv s ILE 69 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2qwv s ILE 69 Cb -0.21 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2qwv s ILE 69 CO 0.07 -0.26 0.19 -0.89 0.00 0.00 0.00 174.94 174.05 2qwv s THR 70 N 1.97 4.54 -0.19 2.92 2.01 -0.01 -0.50 115.64 126.38 2qwv s THR 70 Ca 0.10 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 2qwv s THR 70 Cb -0.17 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 2qwv s THR 70 CO 0.12 -0.18 0.13 -0.69 -0.69 0.00 0.00 174.62 173.31 2qwv s VAL 71 N 1.56 5.39 -0.21 3.82 1.01 -0.38 -1.92 120.40 129.67 2qwv s VAL 71 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2qwv s VAL 71 Cb -0.19 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2qwv s VAL 71 CO 0.06 0.46 -0.16 -1.61 0.00 0.00 0.00 175.10 173.86 2qwv s GLU 72 N 0.18 2.80 0.56 2.72 2.02 -0.50 -1.56 118.70 124.92 2qwv s GLU 72 Ca 0.09 -0.97 0.25 0.00 0.02 0.00 0.00 54.97 54.36 2qwv s GLU 72 Cb -0.11 -2.70 1.51 0.00 0.10 0.00 0.00 34.13 32.93 2qwv s GLU 72 CO -0.01 -0.32 2.08 0.00 0.02 0.00 0.00 175.26 177.03 2qwv h ALA 73 N 7.91 2.04 -0.22 5.21 0.00 -1.50 -2.66 119.26 130.04 2qwv h ALA 73 Ca -0.38 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2qwv h ALA 73 Cb 1.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2qwv h ALA 73 CO 0.59 -0.34 -0.14 -0.91 0.00 0.00 0.00 179.25 178.45 2qwv h ASN 74 N 0.00 0.50 -0.21 0.00 2.35 -1.85 -3.33 115.58 113.05 2qwv h ASN 74 Ca 0.12 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2qwv h ASN 74 Cb 0.55 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2qwv h ASN 74 CO -0.00 0.82 0.00 -0.62 -1.65 0.00 0.00 177.43 175.98 2qwv n GLU 75 N -4.49 2.22 -1.54 0.81 4.71 -1.05 -4.77 120.64 116.53 2qwv n GLU 75 Ca -0.05 -2.01 -0.34 0.00 -0.01 0.00 0.00 57.16 54.75 2qwv n GLU 75 Cb 0.36 -1.45 -0.04 0.00 -1.01 0.00 0.00 31.44 29.30 2qwv n GLU 75 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 2qwv n ILE 76 N 1.30 4.35 -2.20 -3.67 0.13 -1.03 -4.07 119.36 114.16 2qwv n ILE 76 Ca 0.15 -3.12 -0.33 0.00 -1.10 0.00 0.00 62.75 58.36 2qwv n ILE 76 Cb 0.56 -2.21 -0.04 0.00 -0.84 0.00 0.00 39.64 37.11 2qwv n ILE 76 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 2qwv s SER 77 N 1.27 5.56 0.31 9.51 0.15 -1.26 -5.06 113.70 124.17 2qwv s SER 77 Ca 0.62 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2qwv s SER 77 Cb 0.23 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2qwv s SER 77 CO -0.09 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 172.64 2qwv n GLY 81 N 6.58 0.61 1.22 9.45 0.00 -1.26 -5.14 105.19 116.64 2qwv n GLY 81 Ca 0.33 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.54 2qwv n GLY 81 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qwv n PHE 82 N -0.99 0.96 -2.03 1.61 -1.74 -1.26 -4.34 117.46 109.67 2qwv n PHE 82 Ca 0.00 -0.54 -0.29 0.00 -0.56 0.00 0.00 57.45 56.06 2qwv n PHE 82 Cb 0.00 -0.07 0.04 0.00 1.52 0.00 0.00 39.48 40.97 2qwv n PHE 82 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 2qwv s HIS 83 N -1.24 3.36 0.28 2.97 -3.43 -1.26 -4.90 115.29 111.07 2qwv s HIS 83 Ca 0.43 0.98 0.02 0.00 -0.80 0.00 0.00 55.06 55.69 2qwv s HIS 83 Cb 0.24 -2.92 0.60 0.00 -1.43 0.00 0.00 32.58 29.07 2qwv s HIS 83 CO 0.27 -1.00 1.78 0.93 -2.00 0.00 0.00 174.74 174.71 2qwv h GLU 84 N -0.47 0.71 -0.17 -0.38 5.08 -1.93 -2.80 114.58 114.62 2qwv h GLU 84 Ca -0.45 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 57.66 2qwv h GLU 84 Cb 1.24 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.34 2qwv h GLU 84 CO 0.63 0.47 -0.73 0.00 -1.00 0.00 0.00 179.01 178.37 2qwv h ALA 85 N 1.58 0.38 -0.30 3.43 0.00 -1.97 -2.49 119.26 119.90 2qwv h ALA 85 Ca 0.51 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2qwv h ALA 85 Cb 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qwv h ALA 85 CO -0.35 0.69 -0.34 0.00 0.00 0.00 0.00 179.25 179.25 2qwv h ALA 86 N 0.63 0.86 0.13 0.00 0.00 -1.80 -1.37 119.26 117.71 2qwv h ALA 86 Ca -0.04 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 2qwv h ALA 86 Cb 1.35 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2qwv h ALA 86 CO 0.15 0.64 -0.94 -0.07 0.00 0.00 0.00 179.25 179.02 2qwv h LEU 87 N 0.55 0.44 -1.64 0.00 3.38 -1.62 -3.02 115.31 113.40 2qwv h LEU 87 Ca 0.06 -0.93 0.24 0.00 0.09 0.00 0.00 57.88 57.35 2qwv h LEU 87 Cb 0.84 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2qwv h LEU 87 CO 0.07 1.44 0.65 0.40 0.09 0.00 0.00 178.44 181.09 2qwv h ILE 88 N -0.37 0.59 -0.53 1.22 1.08 -1.52 -1.64 117.51 116.33 2qwv h ILE 88 Ca -0.18 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.11 2qwv h ILE 88 Cb 1.66 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 2qwv h ILE 88 CO 0.12 0.05 -0.02 0.00 -0.69 0.00 0.00 178.15 177.61 2qwv h ALA 89 N 1.58 0.72 -0.68 1.87 0.00 -1.23 -1.73 119.26 119.79 2qwv h ALA 89 Ca 0.50 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2qwv h ALA 89 Cb 1.48 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2qwv h ALA 89 CO -0.15 0.56 0.45 1.25 0.00 0.00 0.00 179.25 181.36 2qwv h LEU 90 N 0.83 0.61 0.46 0.00 5.85 -1.17 -1.26 115.31 120.62 2qwv h LEU 90 Ca 0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2qwv h LEU 90 Cb 0.56 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2qwv h LEU 90 CO 0.03 0.40 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.24 2qwv h LEU 91 N 0.70 -0.52 -0.82 2.25 3.38 -1.13 -2.84 115.31 116.33 2qwv h LEU 91 Ca 0.29 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.37 2qwv h LEU 91 Cb 0.26 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 2qwv h LEU 91 CO -0.09 -0.11 0.30 -0.37 0.09 0.00 0.00 178.44 178.25 2qwv h VAL 92 N -1.03 0.51 -0.42 1.22 -1.51 -0.99 0.40 116.25 114.43 2qwv h VAL 92 Ca -0.06 -0.12 0.08 0.00 -1.23 0.00 0.00 66.70 65.36 2qwv h VAL 92 Cb 0.57 0.12 -0.07 0.00 -2.13 0.00 0.00 31.29 29.78 2qwv h VAL 92 CO 0.10 0.07 -0.00 0.50 -1.23 0.00 0.00 177.57 177.01 2qwv h LYS 93 N 0.36 0.10 -0.06 5.19 3.64 -1.26 0.26 116.57 124.80 2qwv h LYS 93 Ca 0.48 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.71 2qwv h LYS 93 Cb 0.86 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2qwv h LYS 93 CO -0.51 0.07 -0.64 0.00 -2.27 0.00 0.00 179.45 176.10 2qwv h ALA 94 N 1.37 0.81 -0.40 5.00 0.00 -0.12 -2.37 119.26 123.55 2qwv h ALA 94 Ca 0.21 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2qwv h ALA 94 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qwv h ALA 94 CO -0.35 0.75 0.02 1.25 0.00 0.00 0.00 179.25 180.92 2qwv h LEU 95 N 0.16 0.67 -1.46 0.00 5.85 0.05 -2.69 115.31 117.90 2qwv h LEU 95 Ca -0.01 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2qwv h LEU 95 Cb 1.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2qwv h LEU 95 CO 0.10 0.80 0.24 0.44 -0.34 0.00 0.00 178.44 179.68 2qwv h ASP 96 N 0.52 0.53 0.60 1.25 3.32 -0.33 -1.53 116.42 120.78 2qwv h ASP 96 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2qwv h ASP 96 Cb 0.45 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2qwv h ASP 96 CO 0.02 0.44 -0.01 0.00 -1.72 0.00 0.00 179.24 177.97 2qwv n ALA 97 N -2.47 2.49 0.57 3.45 0.00 -0.91 -3.40 120.51 120.24 2qwv n ALA 97 Ca 0.03 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2qwv n ALA 97 Cb 0.10 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 2qwv n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qwv n SER 98 N -1.29 0.59 -4.68 0.00 3.41 -0.58 -4.97 113.62 106.10 2qwv n SER 98 Ca 0.14 -0.37 -0.44 0.00 -0.26 0.00 0.00 58.87 57.93 2qwv n SER 98 Cb 0.25 1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 2qwv n SER 98 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2qwv n VAL 99 N -1.90 0.77 -1.50 -3.33 3.14 -1.20 -4.92 118.33 109.39 2qwv n VAL 99 Ca 0.01 -0.19 -0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2qwv n VAL 99 Cb 0.43 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 2qwv n VAL 99 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qwv n GLY 100 N 2.42 -2.55 1.27 7.55 0.00 -1.26 -5.12 105.19 107.50 2qwv n GLY 100 Ca 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2qwv n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qwv n GLY 102 N -0.06 3.53 3.76 -0.02 0.00 -1.26 -5.24 105.19 105.90 2qwv n GLY 102 Ca 0.00 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 2qwv n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qwv s LYS 103 N -2.52 3.21 -1.17 1.61 -0.14 -1.26 -4.08 119.74 115.38 2qwv s LYS 103 Ca 0.15 1.73 -0.00 0.00 -1.36 0.00 0.00 55.97 56.49 2qwv s LYS 103 Cb 0.01 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 2qwv s LYS 103 CO 0.11 -1.00 0.98 0.39 -0.76 0.00 0.00 175.35 175.07 2qwv n GLU 104 N -1.37 -6.51 -4.26 1.68 -0.58 -0.50 -4.99 120.64 104.11 2qwv n GLU 104 Ca 0.12 0.82 -0.18 0.00 -0.42 0.00 0.00 57.16 57.51 2qwv n GLU 104 Cb 0.50 -5.77 -0.11 0.00 -0.57 0.00 0.00 31.44 25.49 2qwv n GLU 104 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2qwv s GLN 105 N -5.37 1.07 -0.03 3.49 -0.21 -1.26 -4.94 119.66 112.41 2qwv s GLN 105 Ca 0.03 -1.30 0.03 0.00 0.02 0.00 0.00 55.36 54.13 2qwv s GLN 105 Cb -0.01 -0.93 0.01 0.00 1.00 0.00 0.00 33.01 33.07 2qwv s GLN 105 CO 0.71 0.17 -0.10 0.99 -2.12 0.00 0.00 175.29 174.94 2qwv s THR 106 N -2.32 0.90 -0.14 -0.19 2.01 -1.26 -1.33 115.64 113.30 2qwv s THR 106 Ca 0.11 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 2qwv s THR 106 Cb -0.04 -0.81 0.05 0.00 0.01 0.00 0.00 72.50 71.71 2qwv s THR 106 CO 0.03 0.28 0.07 -0.13 -0.69 0.00 0.00 174.62 174.18 2qwv s ARG 107 N 0.29 0.19 0.15 4.92 0.52 0.04 -5.01 118.95 120.05 2qwv s ARG 107 Ca -0.05 -0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 2qwv s ARG 107 Cb -0.10 -1.56 -0.11 0.00 0.52 0.00 0.00 34.95 33.70 2qwv s ARG 107 CO 0.01 -0.57 1.81 0.08 0.02 0.00 0.00 175.30 176.65 2qwv s VAL 108 N 2.08 2.40 -0.16 3.52 1.01 -1.26 -1.87 120.40 126.11 2qwv s VAL 108 Ca 0.02 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2qwv s VAL 108 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2qwv s VAL 108 CO -0.07 0.00 -0.24 0.52 0.00 0.00 0.00 175.10 175.31 2qwv n VAL 109 N 4.55 1.46 -4.02 2.92 0.31 0.17 -4.95 118.33 118.78 2qwv n VAL 109 Ca 0.17 0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 2qwv n VAL 109 Cb 0.37 -2.34 -0.05 0.00 -0.91 0.00 0.00 33.84 30.91 2qwv n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qwv s GLN 110 N -2.52 1.68 -0.36 5.55 -2.07 -1.18 -5.03 119.66 115.73 2qwv s GLN 110 Ca -0.22 -1.42 -0.43 0.00 -1.82 0.00 0.00 55.36 51.47 2qwv s GLN 110 Cb 0.03 0.47 -0.17 0.00 -1.09 0.00 0.00 33.01 32.25 2qwv s GLN 110 CO 0.33 -0.70 1.68 -2.30 -1.32 0.00 0.00 175.29 172.97 2qwv n PRO 111 N -0.44 0.67 -1.70 9.60 -0.02 -1.26 -0.57 135.00 141.29 2qwv n PRO 111 Ca -0.01 0.24 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 2qwv n PRO 111 Cb 0.62 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 2qwv n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qwv n GLY 112 N 4.07 1.25 2.91 -1.23 0.00 -1.26 -3.84 105.19 107.11 2qwv n GLY 112 Ca 0.28 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2qwv n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qwv s LEU 113 N -4.22 1.22 0.05 0.99 2.96 0.27 -1.41 118.68 118.54 2qwv s LEU 113 Ca 0.00 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 2qwv s LEU 113 Cb 0.00 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2qwv s LEU 113 CO 0.00 -0.11 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.94 2qwv s THR 114 N 1.61 0.67 0.02 3.68 2.01 -0.81 -0.65 115.64 122.17 2qwv s THR 114 Ca 0.03 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 60.99 2qwv s THR 114 Cb -0.13 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2qwv s THR 114 CO -0.07 -0.33 -0.19 0.54 -0.69 0.00 0.00 174.62 173.88 2qwv s VAL 115 N -1.32 1.50 -0.11 3.82 0.11 -0.78 -0.83 120.40 122.79 2qwv s VAL 115 Ca -0.08 -1.01 -0.08 0.00 -2.93 0.00 0.00 61.98 57.89 2qwv s VAL 115 Cb -0.10 -1.29 0.04 0.00 -1.53 0.00 0.00 36.38 33.50 2qwv s VAL 115 CO 0.01 0.26 0.28 -0.13 -3.33 0.00 0.00 175.10 172.19 2qwv s ARG 116 N -0.88 0.28 -1.29 1.54 0.52 -0.77 -0.78 118.95 117.58 2qwv s ARG 116 Ca 0.06 0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 55.69 2qwv s ARG 116 Cb -0.08 0.03 0.15 0.00 0.52 0.00 0.00 34.95 35.57 2qwv s ARG 116 CO 0.01 -0.10 2.08 0.25 0.02 0.00 0.00 175.30 177.56 2qwv n THR 117 N 3.60 4.79 -5.05 0.02 -2.24 -0.44 -0.74 114.28 114.22 2qwv n THR 117 Ca -0.19 -4.43 -0.32 0.00 -2.27 0.00 0.00 64.05 56.83 2qwv n THR 117 Cb 0.56 -2.22 -0.15 0.00 -2.10 0.00 0.00 70.33 66.42 2qwv n THR 117 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qwv s ILE 118 N -0.44 2.58 0.66 2.28 2.07 -1.26 -1.41 121.20 125.68 2qwv s ILE 118 Ca 0.45 -0.88 -0.18 0.00 -1.41 0.00 0.00 60.65 58.64 2qwv s ILE 118 Cb 0.13 -1.99 -0.01 0.00 0.13 0.00 0.00 42.46 40.72 2qwv s ILE 118 CO -0.03 0.57 1.26 -0.24 -1.91 0.00 0.00 174.94 174.58 2qwv n SER 119 N 2.83 1.87 -0.13 4.50 2.88 -1.26 -4.56 113.62 119.75 2qwv n SER 119 Ca -0.17 0.81 -0.05 0.00 -1.33 0.00 0.00 58.87 58.12 2qwv n SER 119 Cb 0.52 -1.54 0.01 0.00 -0.75 0.00 0.00 64.21 62.45 2qwv n SER 119 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2qwv h PHE 120 N 0.41 -0.60 -0.32 0.66 3.57 -1.99 0.73 116.94 119.41 2qwv h PHE 120 Ca -0.50 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 2qwv h PHE 120 Cb 1.34 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 2qwv h PHE 120 CO 0.41 -0.31 -0.04 1.05 -2.23 0.00 0.00 178.31 177.19 2qwv h GLU 121 N -0.15 0.50 -0.24 1.11 9.09 -1.99 -0.32 114.58 122.58 2qwv h GLU 121 Ca 0.20 -0.12 -0.17 0.00 0.05 0.00 0.00 59.36 59.33 2qwv h GLU 121 Cb 0.47 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 2qwv h GLU 121 CO -0.52 0.56 -0.50 0.00 0.05 0.00 0.00 179.01 178.61 2qwv h ALA 122 N 1.49 0.39 -0.44 1.06 0.00 -1.84 -2.22 119.26 117.69 2qwv h ALA 122 Ca 0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2qwv h ALA 122 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qwv h ALA 122 CO 0.02 0.56 0.27 1.25 0.00 0.00 0.00 179.25 181.35 2qwv h LEU 123 N 0.50 0.52 -0.62 0.00 5.85 -0.36 -1.87 115.31 119.33 2qwv h LEU 123 Ca 0.01 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.78 2qwv h LEU 123 Cb 1.10 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2qwv h LEU 123 CO 0.11 0.41 0.23 -0.07 -0.34 0.00 0.00 178.44 178.79 2qwv h LEU 124 N 0.59 0.23 -0.99 2.25 3.38 -1.05 -0.90 115.31 118.82 2qwv h LEU 124 Ca 0.16 0.08 0.28 0.00 0.09 0.00 0.00 57.88 58.49 2qwv h LEU 124 Cb -0.02 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.65 2qwv h LEU 124 CO -0.03 0.13 0.54 1.23 0.09 0.00 0.00 178.44 180.41 2qwv h GLY 125 N 0.41 1.94 1.22 0.83 0.00 -0.70 0.46 103.07 107.24 2qwv h GLY 125 Ca 0.31 -0.25 -0.32 0.00 0.00 0.00 0.00 47.33 47.07 2qwv h GLY 125 CO -0.31 -0.39 -1.53 0.83 0.00 0.00 0.00 176.54 175.14 2qwv h GLU 126 N 0.41 0.39 0.00 4.80 5.08 -0.85 -3.24 114.58 121.17 2qwv h GLU 126 Ca 0.68 -0.67 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2qwv h GLU 126 Cb 1.45 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2qwv h GLU 126 CO -0.56 1.30 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.34 2qwv h LEU 127 N 0.11 0.00 -2.52 1.33 3.38 -0.47 -3.24 115.31 113.90 2qwv h LEU 127 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qwv h LEU 127 Cb 2.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.84 2qwv h LEU 127 CO 0.21 0.34 -0.00 0.00 0.09 0.00 0.00 178.44 179.08 2qwv h ALA 128 N 1.66 1.01 0.18 1.53 0.00 -0.14 -1.58 119.26 121.93 2qwv h ALA 128 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qwv h ALA 128 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qwv h ALA 128 CO 0.04 0.00 -0.09 0.93 0.00 0.00 0.00 179.25 180.14 2qwv h GLU 129 N 0.00 -0.24 0.00 0.00 4.39 -1.72 -3.38 114.58 113.64 2qwv h GLU 129 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2qwv h GLU 129 Cb 0.16 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2qwv h GLU 129 CO 0.00 0.18 -0.02 1.58 -1.16 0.00 0.00 179.01 179.58 2qwv n HIS 130 N -4.95 0.00 -4.41 4.33 -0.00 -1.22 -5.03 115.22 103.95 2qwv n HIS 130 Ca -0.08 -0.65 -0.30 0.00 0.46 0.00 0.00 57.72 57.16 2qwv n HIS 130 Cb 0.26 -0.09 -0.12 0.00 -0.12 0.00 0.00 29.99 29.93 2qwv n HIS 130 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2qwv s HIS 131 N -1.64 2.50 -0.46 1.57 3.76 -0.60 -4.80 115.29 115.62 2qwv s HIS 131 Ca 0.13 -0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.51 2qwv s HIS 131 Cb 0.11 -1.36 0.03 0.00 1.11 0.00 0.00 32.58 32.47 2qwv s HIS 131 CO 0.01 0.34 0.87 -1.12 -0.85 0.00 0.00 174.74 173.99 2qwv s SER 132 N -1.96 6.45 0.02 1.40 0.01 -0.85 -4.68 113.70 114.09 2qwv s SER 132 Ca 0.17 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.20 2qwv s SER 132 Cb -0.10 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 2qwv s SER 132 CO 0.08 -1.01 0.64 -0.76 0.41 0.00 0.00 173.24 172.60 2qwv s LEU 133 N 3.57 4.44 0.30 2.44 1.02 -1.26 -0.70 118.68 128.49 2qwv s LEU 133 Ca 0.34 1.26 0.03 0.00 0.02 0.00 0.00 54.13 55.77 2qwv s LEU 133 Cb -0.11 -3.00 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 2qwv s LEU 133 CO 0.24 0.11 0.14 -0.31 0.02 0.00 0.00 176.35 176.56 2qwv s TYR 134 N -0.31 1.60 0.00 0.29 2.02 -0.16 -2.27 117.35 118.51 2qwv s TYR 134 Ca 0.33 -1.33 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2qwv s TYR 134 Cb -0.19 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 2qwv s TYR 134 CO 0.19 -0.47 0.00 -3.47 -1.57 0.00 0.00 175.55 170.23 2qwv n ASP 137 N -0.85 0.00 0.32 2.29 2.03 0.49 -0.52 116.55 120.32 2qwv n ASP 137 Ca 0.01 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.52 2qwv n ASP 137 Cb 0.65 0.00 1.08 0.00 -0.72 0.00 0.00 41.12 42.14 2qwv n ASP 137 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2qwv h LYS 138 N 0.00 0.00 -0.20 -0.67 2.10 -1.93 0.36 116.57 116.22 2qwv h LYS 138 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qwv h LYS 138 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qwv h LYS 138 CO 0.00 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.62 2qwv n LYS 139 N -3.26 2.17 -1.67 0.07 4.81 -1.26 -4.88 118.16 114.13 2qwv n LYS 139 Ca -0.02 -1.98 -0.30 0.00 -0.87 0.00 0.00 58.31 55.14 2qwv n LYS 139 Cb 0.13 -1.44 0.19 0.00 0.02 0.00 0.00 35.03 33.93 2qwv n LYS 139 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2qwv s GLY 140 N -1.56 1.69 0.30 3.14 0.00 0.12 -5.01 107.32 106.01 2qwv s GLY 140 Ca 0.30 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.72 2qwv s GLY 140 CO 0.28 -0.26 1.07 0.99 0.00 0.00 0.00 173.10 175.17 2qwv s ASP 141 N -4.52 7.22 0.35 1.64 1.01 -1.24 -4.13 116.67 117.00 2qwv s ASP 141 Ca 0.71 2.18 -0.26 0.00 0.71 0.00 0.00 52.55 55.89 2qwv s ASP 141 Cb -0.07 -2.62 -0.13 0.00 1.01 0.00 0.00 42.92 41.11 2qwv s ASP 141 CO 0.53 -0.17 0.87 -0.24 0.21 0.00 0.00 175.17 176.37 2qwv n SER 142 N 0.97 0.61 0.22 0.27 2.88 -1.26 -0.97 113.62 116.34 2qwv n SER 142 Ca 0.00 1.07 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 2qwv n SER 142 Cb 0.46 -1.24 0.42 0.00 -0.75 0.00 0.00 64.21 63.09 2qwv n SER 142 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2qwv h ILE 143 N 1.51 0.49 0.00 2.46 2.10 -1.58 -2.30 117.51 120.20 2qwv h ILE 143 Ca -0.40 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.37 2qwv h ILE 143 Cb 1.36 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.91 2qwv h ILE 143 CO 0.57 0.21 0.00 0.03 -1.08 0.00 0.00 178.15 177.88 2qwv h ARG 144 N 0.00 0.00 -0.35 2.19 3.08 -1.89 -3.17 114.38 114.24 2qwv h ARG 144 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qwv h ARG 144 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2qwv h ARG 144 CO 0.03 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.68 2qwv n ASP 145 N -2.67 3.44 -4.61 7.04 8.00 -0.87 -4.96 116.55 121.93 2qwv n ASP 145 Ca 0.02 -2.00 -0.24 0.00 0.71 0.00 0.00 54.79 53.28 2qwv n ASP 145 Cb 0.33 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 2qwv n ASP 145 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2qwv s ILE 146 N -1.55 2.79 -0.38 0.53 -4.36 -1.20 -4.99 121.20 112.03 2qwv s ILE 146 Ca 0.38 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.59 2qwv s ILE 146 Cb 0.23 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 41.20 2qwv s ILE 146 CO 0.32 -0.26 0.42 -1.59 0.24 0.00 0.00 174.94 174.06 2qwv s LYS 147 N -3.68 3.35 0.06 0.37 0.00 -1.26 -5.02 119.74 113.56 2qwv s LYS 147 Ca 0.33 -0.54 -0.31 0.00 0.00 0.00 0.00 55.97 55.46 2qwv s LYS 147 Cb -0.02 -3.88 -0.07 0.00 0.00 0.00 0.00 37.83 33.86 2qwv s LYS 147 CO 0.19 -0.70 1.46 0.42 0.00 0.00 0.00 175.35 176.72 2qwv s ILE 148 N 2.14 3.38 1.05 3.79 1.01 -1.26 -4.98 121.20 126.32 2qwv s ILE 148 Ca 0.13 0.88 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 2qwv s ILE 148 Cb -0.17 -3.56 0.11 0.00 0.01 0.00 0.00 42.46 38.85 2qwv s ILE 148 CO 0.13 0.02 0.39 0.61 0.00 0.00 0.00 174.94 176.09 2qwv n GLY 149 N 3.69 -2.07 3.85 6.18 0.00 -1.26 -5.01 105.19 110.57 2qwv n GLY 149 Ca 0.13 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2qwv n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qwv s PRO 150 N -3.75 3.57 -1.29 1.61 0.04 -1.26 -3.93 135.00 129.99 2qwv s PRO 150 Ca 0.59 0.90 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 2qwv s PRO 150 Cb -0.18 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2qwv s PRO 150 CO 0.66 -0.59 0.53 0.09 0.04 0.00 0.00 177.00 177.73 2qwv n ASN 151 N -2.36 -2.91 -4.80 6.66 3.02 -1.26 -3.37 115.26 110.25 2qwv n ASN 151 Ca 0.07 -1.22 -0.33 0.00 -0.03 0.00 0.00 54.58 53.06 2qwv n ASN 151 Cb 0.54 -2.06 -0.01 0.00 -0.61 0.00 0.00 39.78 37.64 2qwv n ASN 151 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2qwv s PRO 152 N -7.12 3.50 -0.05 3.52 0.04 -1.25 -2.01 135.00 131.64 2qwv s PRO 152 Ca 0.34 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 2qwv s PRO 152 Cb -0.17 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2qwv s PRO 152 CO 0.95 -0.67 0.04 0.00 0.04 0.00 0.00 177.00 177.36 2qwv s PHE 154 N 1.97 3.03 -0.21 0.00 0.08 -0.70 -0.99 117.98 121.16 2qwv s PHE 154 Ca 0.03 -0.55 -0.23 0.00 0.12 0.00 0.00 56.93 56.30 2qwv s PHE 154 Cb -0.12 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2qwv s PHE 154 CO -0.03 -0.34 0.73 0.42 -0.10 0.00 0.00 175.22 175.90 2qwv s ILE 155 N 1.26 4.93 -0.05 0.64 1.01 0.32 -0.57 121.20 128.74 2qwv s ILE 155 Ca 0.04 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.13 2qwv s ILE 155 Cb -0.15 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 2qwv s ILE 155 CO 0.01 0.03 -0.24 -0.76 0.00 0.00 0.00 174.94 173.98 2qwv s LEU 156 N 2.34 2.05 0.02 2.97 1.43 -0.00 -4.96 118.68 122.52 2qwv s LEU 156 Ca 0.32 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2qwv s LEU 156 Cb -0.16 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2qwv s LEU 156 CO 0.10 0.24 0.04 0.28 0.23 0.00 0.00 176.35 177.24 2qwv s THR 157 N -0.21 4.37 -2.00 5.49 -1.32 -1.26 -1.33 115.64 119.38 2qwv s THR 157 Ca -0.01 -0.60 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 2qwv s THR 157 Cb -0.13 -3.00 0.08 0.00 -1.51 0.00 0.00 72.50 67.94 2qwv s THR 157 CO 0.03 0.31 0.53 -0.90 -2.21 0.00 0.00 174.62 172.37 2qwv n ASP 158 N 1.12 0.00 0.00 8.08 3.85 -0.97 -4.70 116.55 123.93 2qwv n ASP 158 Ca -0.13 -0.54 0.00 0.00 -0.71 0.00 0.00 54.79 53.41 2qwv n ASP 158 Cb 0.52 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 2qwv n ASP 158 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2qwv n HIS 159 N -0.64 0.00 -3.15 2.11 8.25 -1.26 -5.03 115.22 115.50 2qwv n HIS 159 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2qwv n HIS 159 Cb 0.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 2qwv n HIS 159 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2qwv s ASN 168 N -0.20 -1.36 0.00 0.41 3.04 -1.26 -5.16 114.94 110.42 2qwv s ASN 168 Ca 0.00 0.38 0.00 0.00 0.04 0.00 0.00 52.86 53.28 2qwv s ASN 168 Cb 0.00 1.95 0.00 0.00 -1.54 0.00 0.00 41.25 41.66 2qwv s ASN 168 CO 0.00 -0.25 0.00 -1.54 -3.04 0.00 0.00 177.10 172.27 2qwv n SER 169 N 5.39 0.00 0.00 -4.21 3.41 -1.26 -0.27 113.62 116.68 2qwv n SER 169 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2qwv n SER 169 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2qwv n SER 169 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qwv n LYS 171 N 0.00 0.00 -0.24 4.33 4.81 -1.26 -3.25 118.16 122.55 2qwv n LYS 171 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2qwv n LYS 171 Cb 0.00 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.21 2qwv n LYS 171 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2qwv h ARG 172 N 0.00 0.22 0.00 1.64 2.43 -1.03 -1.61 114.38 116.04 2qwv h ARG 172 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qwv h ARG 172 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2qwv h ARG 172 CO 0.00 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.89 2qwv n LEU 173 N -5.19 0.00 0.00 3.80 4.77 -1.20 -4.88 117.00 114.30 2qwv n LEU 173 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2qwv n LEU 173 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2qwv n LEU 173 CO 0.12 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2qwv n GLY 174 N 0.85 0.45 3.65 -0.72 0.00 -0.60 -4.87 105.19 103.95 2qwv n GLY 174 Ca 0.22 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2qwv n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qwv s VAL 175 N -2.00 4.46 -0.13 1.61 1.01 -1.26 -4.50 120.40 119.59 2qwv s VAL 175 Ca 0.00 1.73 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 2qwv s VAL 175 Cb 0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2qwv s VAL 175 CO 0.00 -0.30 0.19 -1.61 0.00 0.00 0.00 175.10 173.38 2qwv s GLU 176 N 3.54 3.81 0.12 2.72 0.41 -0.96 -4.64 118.70 123.70 2qwv s GLU 176 Ca 0.49 -0.07 -0.30 0.00 -0.41 0.00 0.00 54.97 54.68 2qwv s GLU 176 Cb -0.16 -3.29 -0.06 0.00 -1.78 0.00 0.00 34.13 28.84 2qwv s GLU 176 CO 0.13 0.56 1.07 0.15 -0.49 0.00 0.00 175.26 176.69 2qwv s LYS 177 N -0.45 4.59 0.21 1.61 1.02 -1.26 -4.35 119.74 121.11 2qwv s LYS 177 Ca 0.14 1.63 0.03 0.00 0.02 0.00 0.00 55.97 57.79 2qwv s LYS 177 Cb -0.12 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 2qwv s LYS 177 CO 0.03 0.04 0.01 0.96 -0.92 0.00 0.00 175.35 175.47 2qwv s ILE 178 N 0.17 0.84 0.03 2.17 -0.00 -1.26 -3.62 121.20 119.54 2qwv s ILE 178 Ca 0.51 -2.01 0.07 0.00 -0.00 0.00 0.00 60.65 59.22 2qwv s ILE 178 Cb -0.27 -2.28 -0.02 0.00 -0.00 0.00 0.00 42.46 39.89 2qwv s ILE 178 CO 0.32 -0.36 -0.21 -0.55 -0.00 0.00 0.00 174.94 174.14 2qwv s SER 179 N -3.25 2.51 -0.01 4.36 0.15 -0.14 -0.38 113.70 116.94 2qwv s SER 179 Ca 0.27 -0.50 0.17 0.00 0.70 0.00 0.00 55.95 56.59 2qwv s SER 179 Cb 0.06 -0.22 -0.23 0.00 -1.71 0.00 0.00 66.02 63.91 2qwv s SER 179 CO 0.07 0.18 0.54 0.18 1.20 0.00 0.00 173.24 175.41 2qwv n LEU 180 N 1.96 0.36 0.00 3.45 4.77 -1.26 -1.37 117.00 124.90 2qwv n LEU 180 Ca -0.17 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2qwv n LEU 180 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2qwv n LEU 180 CO 0.23 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2qwv n GLY 181 N 1.46 -1.84 0.22 -0.72 0.00 -1.26 -4.91 105.19 98.14 2qwv n GLY 181 Ca -0.00 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.92 2qwv n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qwv h PRO 182 N 0.00 0.09 0.00 1.61 0.11 -1.98 -3.48 132.00 128.35 2qwv h PRO 182 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2qwv h PRO 182 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2qwv h PRO 182 CO 0.00 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 179.71 2qwv n LYS 183 N -4.27 0.00 0.00 1.05 5.02 -1.26 -5.13 118.16 113.57 2qwv n LYS 183 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2qwv n LYS 183 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 2qwv n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qwv n LEU 185 N 0.00 0.00 -4.75 -0.35 4.77 -1.26 -4.99 117.00 110.42 2qwv n LEU 185 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2qwv n LEU 185 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2qwv n LEU 185 CO 0.00 0.00 1.02 0.49 -1.33 0.00 0.00 177.39 177.57 2qwv n PHE 186 N -0.18 2.51 -0.34 -1.77 3.72 -1.26 -4.83 117.46 115.31 2qwv n PHE 186 Ca 0.00 0.45 0.15 0.00 -0.05 0.00 0.00 57.45 57.99 2qwv n PHE 186 Cb 0.00 -2.42 0.34 0.00 -0.94 0.00 0.00 39.48 36.46 2qwv n PHE 186 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qwv h ALA 187 N 2.06 1.65 -0.45 4.37 0.00 -1.95 0.18 119.26 125.13 2qwv h ALA 187 Ca -0.50 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2qwv h ALA 187 Cb 1.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2qwv h ALA 187 CO 0.60 -0.21 0.26 0.66 0.00 0.00 0.00 179.25 180.57 2qwv h SER 188 N 0.60 0.53 0.13 0.00 4.64 -1.90 -1.83 113.55 115.72 2qwv h SER 188 Ca 0.60 -0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.63 2qwv h SER 188 Cb 1.06 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 63.03 2qwv h SER 188 CO -0.45 0.42 -1.05 1.56 -0.87 0.00 0.00 176.83 176.44 2qwv h GLN 189 N 0.62 0.60 -0.96 4.77 4.20 -1.05 -3.04 115.11 120.24 2qwv h GLN 189 Ca 0.16 -0.67 0.18 0.00 0.06 0.00 0.00 58.65 58.38 2qwv h GLN 189 Cb -0.01 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 27.86 2qwv h GLN 189 CO -0.03 1.27 0.56 0.00 -0.67 0.00 0.00 178.83 179.96 2qwv h VAL 191 N 0.70 0.86 -0.92 0.00 2.07 -1.22 -0.85 116.25 116.89 2qwv h VAL 191 Ca 0.55 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.11 2qwv h VAL 191 Cb 0.86 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2qwv h VAL 191 CO -0.39 0.00 0.61 0.74 0.02 0.00 0.00 177.57 178.55 2qwv h THR 192 N -0.07 1.16 0.09 2.57 2.02 -1.50 0.40 112.91 117.58 2qwv h THR 192 Ca 0.03 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2qwv h THR 192 Cb 0.11 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2qwv h THR 192 CO -0.08 0.21 -0.04 -0.07 0.37 0.00 0.00 175.52 175.91 2qwv h LEU 193 N 1.17 -0.10 -0.06 2.58 3.38 -1.17 -1.62 115.31 119.48 2qwv h LEU 193 Ca 0.36 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qwv h LEU 193 Cb 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2qwv h LEU 193 CO -0.11 0.35 -0.44 0.40 0.09 0.00 0.00 178.44 178.73 2qwv h ILE 194 N -0.58 0.12 -1.01 1.22 1.08 -0.90 -1.36 117.51 116.09 2qwv h ILE 194 Ca -0.01 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.62 2qwv h ILE 194 Cb 0.48 0.12 -0.10 0.00 -3.07 0.00 0.00 36.82 34.25 2qwv h ILE 194 CO 0.02 0.00 0.62 0.45 -0.69 0.00 0.00 178.15 178.55 2qwv h HIS 195 N -0.55 1.10 -0.32 1.37 3.86 -0.91 -2.05 115.15 117.65 2qwv h HIS 195 Ca 0.05 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.14 2qwv h HIS 195 Cb 0.65 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 2qwv h HIS 195 CO -0.47 0.32 -0.41 -0.97 0.86 0.00 0.00 177.93 177.26 2qwv h ASN 196 N 0.85 0.92 0.14 2.45 -0.73 -0.47 -0.33 115.58 118.42 2qwv h ASN 196 Ca 0.55 -0.49 -0.08 0.00 1.87 0.00 0.00 56.30 58.15 2qwv h ASN 196 Cb 0.74 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 2qwv h ASN 196 CO -0.34 1.23 -0.27 -0.08 -0.37 0.00 0.00 177.43 177.60 2qwv h GLU 197 N 0.64 0.22 0.09 6.67 4.57 -0.69 -1.00 114.58 125.07 2qwv h GLU 197 Ca 0.04 -0.07 -0.26 0.00 -1.18 0.00 0.00 59.36 57.89 2qwv h GLU 197 Cb 1.01 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2qwv h GLU 197 CO 0.10 0.48 -1.15 0.82 -1.18 0.00 0.00 179.01 178.08 2qwv h ILE 198 N 0.20 1.45 -0.71 2.32 2.04 -1.18 -1.94 117.51 119.69 2qwv h ILE 198 Ca 0.03 -2.82 0.01 0.00 1.00 0.00 0.00 64.86 63.08 2qwv h ILE 198 Cb 0.59 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 2qwv h ILE 198 CO 0.04 0.83 0.47 0.44 0.00 0.00 0.00 178.15 179.93 2qwv h ASP 199 N 0.13 0.80 0.07 1.72 3.45 -0.74 0.35 116.42 122.20 2qwv h ASP 199 Ca -0.12 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 2qwv h ASP 199 Cb 1.84 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 2qwv h ASP 199 CO 0.19 0.57 -0.03 0.45 -1.57 0.00 0.00 179.24 178.85 2qwv h HIS 200 N 0.94 -0.08 -0.88 4.55 3.86 -1.05 -2.13 115.15 120.35 2qwv h HIS 200 Ca 0.27 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.64 2qwv h HIS 200 Cb -0.07 0.03 -0.16 0.00 1.06 0.00 0.00 27.41 28.26 2qwv h HIS 200 CO -0.00 -0.05 -0.24 1.04 0.86 0.00 0.00 177.93 179.53 2qwv n GLN 201 N -2.42 -0.10 -0.35 2.45 6.02 -0.74 0.17 117.38 122.40 2qwv n GLN 201 Ca -0.01 1.37 -0.02 0.00 -0.01 0.00 0.00 57.00 58.34 2qwv n GLN 201 Cb 0.04 -2.05 0.13 0.00 1.02 0.00 0.00 30.24 29.37 2qwv n GLN 201 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2qwv h GLU 202 N 0.00 1.27 0.00 -1.09 5.08 -1.00 -2.74 114.58 116.11 2qwv h GLU 202 Ca 0.40 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2qwv h GLU 202 Cb 0.62 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2qwv h GLU 202 CO -0.90 0.85 -0.06 0.00 -1.00 0.00 0.00 179.01 177.89 2qwv h ALA 203 N 1.38 0.96 0.00 3.43 0.00 0.43 -3.47 119.26 122.00 2qwv h ALA 203 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qwv h ALA 203 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qwv h ALA 203 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2qwv n GLY 204 N 1.18 0.85 0.00 0.00 0.00 0.10 -5.07 105.19 102.25 2qwv n GLY 204 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qwv n GLY 204 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65