#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b35 s GLY 3 N 0.00 1.66 0.29 3.38 0.00 -1.26 -5.07 107.32 106.32 2b35 s GLY 3 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.92 2b35 s GLY 3 CO 0.00 -1.68 1.78 -2.00 0.00 0.00 0.00 173.10 171.20 2b35 h LEU 4 N 2.40 0.73 -3.46 0.66 6.46 -1.94 -3.02 115.31 117.14 2b35 h LEU 4 Ca -0.39 0.09 -0.34 0.00 -0.12 0.00 0.00 57.88 57.12 2b35 h LEU 4 Cb 1.23 -0.05 -0.26 0.00 -0.73 0.00 0.00 40.66 40.86 2b35 h LEU 4 CO 0.65 0.30 -0.65 0.18 -0.62 0.00 0.00 178.44 178.30 2b35 n LEU 5 N -4.77 4.13 -4.71 2.25 4.32 0.04 -4.76 117.00 113.49 2b35 n LEU 5 Ca 0.21 -4.40 -0.42 0.00 -0.02 0.00 0.00 56.01 51.38 2b35 n LEU 5 Cb 0.49 -0.43 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 2b35 n LEU 5 CO 0.22 1.81 1.17 -1.81 -1.22 0.00 0.00 177.39 177.57 2b35 s ASP 6 N -3.40 6.69 -0.01 -1.43 1.01 -1.14 -2.63 116.67 115.76 2b35 s ASP 6 Ca 0.46 2.47 0.00 0.00 0.71 0.00 0.00 52.55 56.19 2b35 s ASP 6 Cb 0.40 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.74 2b35 s ASP 6 CO -0.00 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.22 2b35 n GLY 7 N 3.69 0.42 3.78 0.21 0.00 -1.11 -4.98 105.19 107.19 2b35 n GLY 7 Ca 0.13 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2b35 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b35 s LYS 8 N -0.38 3.93 -0.23 1.61 1.02 -1.08 -4.98 119.74 119.63 2b35 s LYS 8 Ca 0.00 -0.15 -0.08 0.00 0.02 0.00 0.00 55.97 55.76 2b35 s LYS 8 Cb 0.00 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 2b35 s LYS 8 CO 0.00 0.47 0.08 1.03 -0.92 0.00 0.00 175.35 176.01 2b35 s ARG 9 N -0.14 3.75 -0.04 1.68 0.52 -1.26 -0.80 118.95 122.67 2b35 s ARG 9 Ca 0.11 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 2b35 s ARG 9 Cb -0.12 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2b35 s ARG 9 CO 0.01 -0.07 -0.04 0.42 0.02 0.00 0.00 175.30 175.63 2b35 s ILE 10 N 1.32 0.49 -0.14 1.52 1.01 -0.95 0.27 121.20 124.72 2b35 s ILE 10 Ca 0.05 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 2b35 s ILE 10 Cb -0.15 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 2b35 s ILE 10 CO 0.04 0.20 0.72 -0.22 0.00 0.00 0.00 174.94 175.69 2b35 s LEU 11 N 0.76 4.22 -0.18 2.97 0.20 0.37 -2.38 118.68 124.65 2b35 s LEU 11 Ca -0.10 1.09 0.01 0.00 0.69 0.00 0.00 54.13 55.82 2b35 s LEU 11 Cb -0.13 -3.08 0.02 0.00 -0.43 0.00 0.00 46.19 42.57 2b35 s LEU 11 CO 0.00 -0.25 -0.18 -0.69 -0.29 0.00 0.00 176.35 174.94 2b35 s VAL 12 N 1.54 1.96 0.34 1.68 1.01 0.46 0.15 120.40 127.54 2b35 s VAL 12 Ca 0.35 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2b35 s VAL 12 Cb -0.17 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2b35 s VAL 12 CO 0.14 0.46 0.13 -0.94 0.00 0.00 0.00 175.10 174.90 2b35 s SER 13 N 1.32 4.65 0.00 3.32 1.04 -0.94 -1.89 113.70 121.20 2b35 s SER 13 Ca 0.04 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2b35 s SER 13 Cb -0.14 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.27 2b35 s SER 13 CO -0.12 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2b35 n GLY 14 N -1.14 0.31 3.69 7.32 0.00 -1.26 -3.79 105.19 110.32 2b35 n GLY 14 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2b35 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b35 s ILE 15 N -2.00 4.36 0.00 -0.61 1.01 -1.26 -4.67 121.20 118.03 2b35 s ILE 15 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2b35 s ILE 15 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2b35 s ILE 15 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.95 2b35 n ILE 16 N 4.56 0.00 -4.54 2.92 0.13 -1.26 -4.78 119.36 116.38 2b35 n ILE 16 Ca 0.10 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.50 2b35 n ILE 16 Cb 0.47 -0.29 -0.11 0.00 -0.84 0.00 0.00 39.64 38.87 2b35 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2b35 s THR 17 N -1.49 1.57 0.03 9.51 -4.23 -1.26 -4.72 115.64 115.05 2b35 s THR 17 Ca 0.00 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 2b35 s THR 17 Cb 0.00 -2.87 0.35 0.00 1.34 0.00 0.00 72.50 71.32 2b35 s THR 17 CO 0.00 0.00 1.89 -2.24 -0.54 0.00 0.00 174.62 173.73 2b35 h ASP 18 N 1.92 0.00 -0.00 3.99 2.03 -1.99 -2.13 116.42 120.24 2b35 h ASP 18 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2b35 h ASP 18 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2b35 h ASP 18 CO 0.75 0.05 0.00 -0.24 -1.03 0.00 0.00 179.24 178.78 2b35 n SER 19 N -3.16 0.07 -4.77 4.15 2.88 -1.26 -4.70 113.62 106.84 2b35 n SER 19 Ca 0.01 -1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 56.01 2b35 n SER 19 Cb 0.37 -0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 2b35 n SER 19 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2b35 s SER 20 N -1.89 6.80 0.46 -3.46 0.01 -0.80 -4.34 113.70 110.47 2b35 s SER 20 Ca 0.42 2.62 0.16 0.00 1.31 0.00 0.00 55.95 60.47 2b35 s SER 20 Cb 0.20 -2.64 1.08 0.00 0.21 0.00 0.00 66.02 64.86 2b35 s SER 20 CO 0.33 -0.51 2.01 0.40 0.41 0.00 0.00 173.24 175.88 2b35 h ILE 21 N 2.98 1.05 -0.37 1.44 2.04 -1.89 -1.87 117.51 120.89 2b35 h ILE 21 Ca -0.49 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 2b35 h ILE 21 Cb 1.23 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 2b35 h ILE 21 CO 0.65 0.16 -0.07 0.00 0.00 0.00 0.00 178.15 178.89 2b35 h ALA 22 N 1.83 1.19 -0.05 1.87 0.00 -1.86 -0.63 119.26 121.61 2b35 h ALA 22 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2b35 h ALA 22 Cb 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2b35 h ALA 22 CO 0.02 0.52 -0.29 0.35 0.00 0.00 0.00 179.25 179.86 2b35 h PHE 23 N 0.57 -0.78 -0.66 0.00 3.57 -1.59 -1.16 116.94 116.89 2b35 h PHE 23 Ca 0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2b35 h PHE 23 Cb 0.47 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 2b35 h PHE 23 CO 0.02 -0.37 0.13 0.45 -2.23 0.00 0.00 178.31 176.30 2b35 h HIS 24 N -0.40 1.12 -0.17 0.41 3.86 -1.40 0.29 115.15 118.86 2b35 h HIS 24 Ca 0.08 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2b35 h HIS 24 Cb 0.51 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2b35 h HIS 24 CO -0.34 0.93 0.11 0.82 0.86 0.00 0.00 177.93 180.31 2b35 h ILE 25 N 1.00 1.05 -0.17 2.45 2.04 -1.09 0.52 117.51 123.31 2b35 h ILE 25 Ca 0.20 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2b35 h ILE 25 Cb 0.40 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2b35 h ILE 25 CO 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 178.15 178.11 2b35 h ALA 26 N 1.05 0.03 -0.51 1.87 0.00 -0.50 -1.31 119.26 119.89 2b35 h ALA 26 Ca 0.06 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2b35 h ALA 26 Cb -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2b35 h ALA 26 CO -0.01 -0.54 0.30 -0.09 0.00 0.00 0.00 179.25 178.91 2b35 h ARG 27 N -0.10 0.58 -0.17 0.00 2.43 -0.13 -1.48 114.38 115.51 2b35 h ARG 27 Ca 0.10 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 2b35 h ARG 27 Cb 0.25 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2b35 h ARG 27 CO -0.23 0.38 -0.62 0.28 -1.51 0.00 0.00 179.97 178.27 2b35 h VAL 28 N 0.60 1.32 -0.52 0.20 2.07 0.17 -2.30 116.25 117.79 2b35 h VAL 28 Ca 0.21 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 2b35 h VAL 28 Cb 0.03 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2b35 h VAL 28 CO -0.10 0.59 0.30 0.00 0.02 0.00 0.00 177.57 178.38 2b35 h ALA 29 N 0.87 0.66 -0.41 1.67 0.00 -1.06 -2.39 119.26 118.60 2b35 h ALA 29 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2b35 h ALA 29 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2b35 h ALA 29 CO 0.12 0.17 -0.06 1.96 0.00 0.00 0.00 179.25 181.44 2b35 h GLN 30 N 0.70 0.77 -1.21 0.00 4.20 -1.28 -1.82 115.11 116.46 2b35 h GLN 30 Ca 0.18 -0.27 0.35 0.00 0.06 0.00 0.00 58.65 58.97 2b35 h GLN 30 Cb 0.02 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 2b35 h GLN 30 CO -0.03 0.87 0.99 0.93 -0.67 0.00 0.00 178.83 180.92 2b35 h GLU 31 N 0.59 0.00 -0.25 1.46 5.08 -1.17 -1.94 114.58 118.34 2b35 h GLU 31 Ca 0.11 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2b35 h GLU 31 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 2b35 h GLU 31 CO 0.03 0.00 -0.31 1.04 -1.00 0.00 0.00 179.01 178.77 2b35 n GLN 32 N -3.85 1.89 -0.84 2.33 1.13 -0.92 -4.98 117.38 112.14 2b35 n GLN 32 Ca 0.26 -3.33 0.00 0.00 -1.94 0.00 0.00 57.00 51.99 2b35 n GLN 32 Cb 1.38 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 29.95 2b35 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2b35 n GLY 33 N -1.09 0.50 3.83 1.08 0.00 -0.73 -0.78 105.19 108.01 2b35 n GLY 33 Ca 0.29 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 2b35 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b35 s ALA 34 N -2.00 3.33 -0.25 4.61 0.00 -0.73 -2.76 121.76 123.95 2b35 s ALA 34 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 2b35 s ALA 34 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2b35 s ALA 34 CO 0.00 0.31 0.08 -1.14 0.00 0.00 0.00 175.76 175.00 2b35 s GLN 35 N -2.56 3.68 -0.02 0.00 0.74 0.02 -4.49 119.66 117.01 2b35 s GLN 35 Ca 0.50 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.45 2b35 s GLN 35 Cb -0.13 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 2b35 s GLN 35 CO 0.19 -0.18 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.23 2b35 s LEU 36 N 1.60 3.48 -0.11 3.68 1.43 -1.26 -2.24 118.68 125.25 2b35 s LEU 36 Ca 0.06 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2b35 s LEU 36 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2b35 s LEU 36 CO 0.04 0.30 -0.03 -0.69 0.23 0.00 0.00 176.35 176.20 2b35 s VAL 37 N -1.02 3.98 0.09 -1.59 1.01 -1.00 -3.81 120.40 118.05 2b35 s VAL 37 Ca 0.18 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.91 2b35 s VAL 37 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2b35 s VAL 37 CO 0.08 0.55 -0.27 -0.76 0.00 0.00 0.00 175.10 174.71 2b35 s LEU 38 N -0.32 2.25 0.15 3.92 1.43 0.00 -0.41 118.68 125.70 2b35 s LEU 38 Ca 0.06 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2b35 s LEU 38 Cb -0.12 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2b35 s LEU 38 CO 0.02 0.22 -0.18 0.42 0.23 0.00 0.00 176.35 177.06 2b35 s THR 39 N -0.94 1.73 0.05 5.49 -4.23 -0.79 0.15 115.64 117.10 2b35 s THR 39 Ca 0.13 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 2b35 s THR 39 Cb -0.10 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 2b35 s THR 39 CO 0.04 -0.29 0.01 -0.83 -0.54 0.00 0.00 174.62 173.01 2b35 s GLY 40 N -2.52 0.36 -0.08 3.99 0.00 -0.26 -4.12 107.32 104.69 2b35 s GLY 40 Ca 0.13 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.80 2b35 s GLY 40 CO 0.06 -1.10 -0.15 0.33 0.00 0.00 0.00 173.10 172.24 2b35 n PHE 41 N 0.34 0.17 0.01 1.90 7.35 -1.25 -0.21 117.46 125.78 2b35 n PHE 41 Ca -0.16 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2b35 n PHE 41 Cb 0.60 -0.35 0.00 0.00 0.35 0.00 0.00 39.48 40.09 2b35 n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2b35 n ASP 42 N -3.48 0.18 -3.95 -2.13 2.03 -1.26 -4.56 116.55 103.39 2b35 n ASP 42 Ca -0.06 0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 2b35 n ASP 42 Cb 0.22 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2b35 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b35 n ARG 43 N -2.71 3.06 -0.19 -0.67 1.74 -1.26 -4.75 116.66 111.88 2b35 n ARG 43 Ca 0.00 -2.93 -0.10 0.00 -0.77 0.00 0.00 57.85 54.06 2b35 n ARG 43 Cb 0.00 -3.27 0.03 0.00 -1.02 0.00 0.00 32.46 28.20 2b35 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2b35 h LEU 44 N 10.17 1.03 -0.40 0.55 3.38 -1.96 -0.98 115.31 127.10 2b35 h LEU 44 Ca 0.51 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2b35 h LEU 44 Cb 0.69 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2b35 h LEU 44 CO 1.74 1.12 0.06 0.03 0.09 0.00 0.00 178.44 181.48 2b35 h ARG 45 N 0.93 0.18 -0.24 1.13 3.08 -2.00 -0.92 114.38 116.54 2b35 h ARG 45 Ca 0.15 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 2b35 h ARG 45 Cb 0.64 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2b35 h ARG 45 CO 0.04 0.12 -0.07 1.25 -1.07 0.00 0.00 179.97 180.24 2b35 h LEU 46 N 0.19 0.35 -2.01 3.04 6.46 -1.71 -2.69 115.31 118.93 2b35 h LEU 46 Ca 0.19 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2b35 h LEU 46 Cb 0.25 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2b35 h LEU 46 CO -0.27 0.47 0.00 2.30 -0.62 0.00 0.00 178.44 180.32 2b35 n ILE 47 N -4.27 0.28 0.01 4.05 -5.35 -0.46 -3.21 119.36 110.41 2b35 n ILE 47 Ca 0.00 -0.60 -0.19 0.00 -0.27 0.00 0.00 62.75 61.69 2b35 n ILE 47 Cb 0.26 1.07 -0.09 0.00 -1.74 0.00 0.00 39.64 39.14 2b35 n ILE 47 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2b35 h GLN 48 N 4.24 0.74 -0.21 6.28 1.08 -0.82 -2.90 115.11 123.52 2b35 h GLN 48 Ca 0.00 -0.70 -0.09 0.00 -1.45 0.00 0.00 58.65 56.41 2b35 h GLN 48 Cb 0.92 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2b35 h GLN 48 CO 0.00 1.29 -0.27 -0.09 -0.95 0.00 0.00 178.83 178.80 2b35 h ARG 49 N 0.45 0.41 0.01 1.46 2.43 -1.59 -1.92 114.38 115.64 2b35 h ARG 49 Ca -0.09 -0.16 -0.27 0.00 -0.81 0.00 0.00 59.98 58.65 2b35 h ARG 49 Cb 1.55 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 31.09 2b35 h ARG 49 CO 0.18 0.65 -1.06 0.82 -1.51 0.00 0.00 179.97 179.06 2b35 h ILE 50 N 0.36 1.28 0.00 1.20 1.08 -1.65 -3.24 117.51 116.54 2b35 h ILE 50 Ca 0.05 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 2b35 h ILE 50 Cb 0.67 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 2b35 h ILE 50 CO 0.05 0.70 0.00 0.71 -0.69 0.00 0.00 178.15 178.92 2b35 h THR 51 N 0.39 0.00 -0.19 -0.27 1.35 -1.45 -2.57 112.91 110.17 2b35 h THR 51 Ca -0.13 -0.73 0.06 0.00 -0.55 0.00 0.00 66.41 65.06 2b35 h THR 51 Cb 1.71 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.84 2b35 h THR 51 CO 0.21 0.00 0.17 0.44 -0.25 0.00 0.00 175.52 176.09 2b35 h ASP 52 N 0.00 0.00 -0.19 5.36 3.45 -1.37 -2.12 116.42 121.55 2b35 h ASP 52 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2b35 h ASP 52 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 2b35 h ASP 52 CO 0.00 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 2b35 n ARG 53 N -4.05 1.61 -3.35 3.56 1.74 -0.97 -4.86 116.66 110.34 2b35 n ARG 53 Ca 0.02 -0.93 -0.36 0.00 -0.77 0.00 0.00 57.85 55.81 2b35 n ARG 53 Cb 0.31 -1.31 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 2b35 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2b35 s LEU 54 N -1.34 4.38 0.51 0.55 1.43 -0.80 -4.98 118.68 118.43 2b35 s LEU 54 Ca 0.26 1.10 0.39 0.00 -1.03 0.00 0.00 54.13 54.86 2b35 s LEU 54 Cb 0.14 -3.17 1.57 0.00 0.03 0.00 0.00 46.19 44.76 2b35 s LEU 54 CO 0.20 0.14 1.66 -0.65 0.23 0.00 0.00 176.35 177.94 2b35 h PRO 55 N 3.78 0.04 -4.28 1.29 0.11 -1.88 -3.41 132.00 127.66 2b35 h PRO 55 Ca -0.49 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.40 2b35 h PRO 55 Cb 1.20 -0.01 -0.20 0.00 0.11 0.00 0.00 31.00 32.09 2b35 h PRO 55 CO 0.65 0.03 -0.71 0.00 -0.21 0.00 0.00 178.00 177.76 2b35 s ALA 56 N -5.04 0.38 0.63 -0.75 0.00 -1.26 -5.07 121.76 110.65 2b35 s ALA 56 Ca -0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 2b35 s ALA 56 Cb 0.26 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2b35 s ALA 56 CO 0.85 -0.12 1.18 -1.59 0.00 0.00 0.00 175.76 176.08 2b35 s LYS 57 N -1.77 2.81 -0.28 0.00 -2.85 -1.26 -5.01 119.74 111.38 2b35 s LYS 57 Ca -0.11 1.69 -0.24 0.00 -1.00 0.00 0.00 55.97 56.31 2b35 s LYS 57 Cb -0.08 -1.92 0.10 0.00 -2.06 0.00 0.00 37.83 33.86 2b35 s LYS 57 CO -0.01 -1.30 0.88 0.00 0.10 0.00 0.00 175.35 175.03 2b35 s ALA 58 N -1.86 -1.91 0.31 0.59 0.00 -1.26 -4.80 121.76 112.83 2b35 s ALA 58 Ca 0.74 1.99 -0.27 0.00 0.00 0.00 0.00 51.96 54.43 2b35 s ALA 58 Cb -0.27 -1.36 -0.14 0.00 0.00 0.00 0.00 23.12 21.36 2b35 s ALA 58 CO 0.36 -0.29 0.87 -2.30 0.00 0.00 0.00 175.76 174.41 2b35 n PRO 59 N 2.63 1.05 -3.94 0.00 -0.02 -1.25 -4.77 135.00 128.71 2b35 n PRO 59 Ca -0.14 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 2b35 n PRO 59 Cb 0.56 -1.70 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 2b35 n PRO 59 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b35 s LEU 60 N 0.88 4.15 0.55 2.45 1.98 -1.26 -0.82 118.68 126.62 2b35 s LEU 60 Ca 0.60 -2.49 -0.01 0.00 -2.89 0.00 0.00 54.13 49.34 2b35 s LEU 60 Cb -0.70 -1.50 0.02 0.00 0.66 0.00 0.00 46.19 44.67 2b35 s LEU 60 CO 0.59 -0.31 0.79 -0.76 -1.89 0.00 0.00 176.35 174.77 2b35 s LEU 61 N 0.45 3.32 -0.14 -0.68 1.43 0.12 -4.93 118.68 118.25 2b35 s LEU 61 Ca 0.14 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 2b35 s LEU 61 Cb -0.22 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2b35 s LEU 61 CO -0.06 -1.06 0.07 -0.70 0.23 0.00 0.00 176.35 174.83 2b35 s GLU 62 N -4.80 3.55 -0.25 1.70 2.12 -1.26 -1.11 118.70 118.65 2b35 s GLU 62 Ca 0.54 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 55.55 2b35 s GLU 62 Cb -0.10 -3.09 0.14 0.00 0.26 0.00 0.00 34.13 31.33 2b35 s GLU 62 CO 0.40 0.54 0.44 -1.17 -0.54 0.00 0.00 175.26 174.94 2b35 s LEU 63 N -0.39 -0.83 -0.39 2.70 2.96 0.71 -4.82 118.68 118.62 2b35 s LEU 63 Ca 0.09 0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 54.47 2b35 s LEU 63 Cb -0.12 1.44 0.07 0.00 0.50 0.00 0.00 46.19 48.08 2b35 s LEU 63 CO 0.02 -0.28 0.21 -0.62 -1.32 0.00 0.00 176.35 174.36 2b35 s ASP 64 N 2.64 5.50 0.00 3.68 2.15 -1.26 -3.94 116.67 125.44 2b35 s ASP 64 Ca 0.12 -1.45 0.03 0.00 0.43 0.00 0.00 52.55 51.68 2b35 s ASP 64 Cb -0.15 -1.93 0.14 0.00 -0.30 0.00 0.00 42.92 40.68 2b35 s ASP 64 CO -0.17 -0.47 1.04 1.33 -0.17 0.00 0.00 175.17 176.73 2b35 n VAL 65 N 4.85 1.52 1.39 1.11 0.24 -1.26 0.24 118.33 126.42 2b35 n VAL 65 Ca -0.10 0.38 0.14 0.00 -2.04 0.00 0.00 64.34 62.72 2b35 n VAL 65 Cb 0.43 -1.33 0.57 0.00 -1.47 0.00 0.00 33.84 32.05 2b35 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b35 n GLN 66 N -1.42 0.75 -3.60 7.34 6.02 -1.26 -4.82 117.38 120.39 2b35 n GLN 66 Ca 0.01 -0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.31 2b35 n GLN 66 Cb 0.03 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.69 2b35 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2b35 s ASN 67 N -2.46 5.77 0.17 1.08 3.04 0.14 -4.97 114.94 117.70 2b35 s ASN 67 Ca 0.29 -0.49 -0.02 0.00 0.04 0.00 0.00 52.86 52.68 2b35 s ASN 67 Cb 0.20 -2.06 0.04 0.00 -1.54 0.00 0.00 41.25 37.89 2b35 s ASN 67 CO 0.48 -0.21 1.42 -0.08 -3.04 0.00 0.00 177.10 175.66 2b35 h GLU 68 N 8.41 0.41 -0.11 0.43 4.57 -1.87 -2.67 114.58 123.74 2b35 h GLU 68 Ca -0.32 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 57.54 2b35 h GLU 68 Cb 1.15 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2b35 h GLU 68 CO 0.62 0.99 -0.38 0.93 -1.18 0.00 0.00 179.01 179.99 2b35 h GLU 69 N 0.27 -0.38 -0.76 1.92 5.08 -1.94 0.45 114.58 119.22 2b35 h GLU 69 Ca -0.04 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 2b35 h GLU 69 Cb 1.34 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.54 2b35 h GLU 69 CO 0.13 -0.26 -0.10 0.45 -1.00 0.00 0.00 179.01 178.23 2b35 h HIS 70 N -0.40 -0.25 0.43 4.33 3.86 -1.86 -1.11 115.15 120.15 2b35 h HIS 70 Ca 0.02 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2b35 h HIS 70 Cb 0.47 0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 2b35 h HIS 70 CO -0.56 -0.29 -0.28 -0.07 0.86 0.00 0.00 177.93 177.59 2b35 h LEU 71 N 0.04 -0.71 -2.04 2.43 4.07 -1.20 -0.34 115.31 117.56 2b35 h LEU 71 Ca 0.39 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.39 2b35 h LEU 71 Cb 0.64 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2b35 h LEU 71 CO -0.73 -0.42 0.13 0.00 -1.08 0.00 0.00 178.44 176.34 2b35 h ALA 72 N -1.47 1.12 -0.19 1.53 0.00 -0.60 -1.23 119.26 118.42 2b35 h ALA 72 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2b35 h ALA 72 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2b35 h ALA 72 CO 0.05 -0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 2b35 n SER 73 N -2.68 2.45 -0.03 0.00 3.41 -0.45 -4.70 113.62 111.62 2b35 n SER 73 Ca -0.02 -1.76 -0.13 0.00 -0.26 0.00 0.00 58.87 56.71 2b35 n SER 73 Cb 0.18 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 2b35 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2b35 h LEU 74 N 1.99 0.18 -0.41 1.04 6.46 0.21 -2.76 115.31 122.03 2b35 h LEU 74 Ca 0.00 -0.39 0.08 0.00 -0.12 0.00 0.00 57.88 57.45 2b35 h LEU 74 Cb 0.60 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.40 2b35 h LEU 74 CO 0.00 0.53 -0.17 0.00 -0.62 0.00 0.00 178.44 178.18 2b35 h ALA 75 N 0.65 0.16 -0.09 1.25 0.00 -1.77 0.45 119.26 119.92 2b35 h ALA 75 Ca 0.02 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2b35 h ALA 75 Cb 0.46 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2b35 h ALA 75 CO 0.01 -0.52 -0.51 0.78 0.00 0.00 0.00 179.25 179.01 2b35 h GLY 76 N -0.08 0.26 2.00 0.00 0.00 -1.89 0.26 103.07 103.61 2b35 h GLY 76 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2b35 h GLY 76 CO -0.46 0.25 -0.04 3.21 0.00 0.00 0.00 176.54 179.50 2b35 h ARG 77 N 0.19 0.00 0.00 4.80 3.08 -1.10 -1.96 114.38 119.39 2b35 h ARG 77 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2b35 h ARG 77 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 2b35 h ARG 77 CO 0.08 0.04 -0.11 0.28 -1.07 0.00 0.00 179.97 179.19 2b35 h VAL 78 N 0.00 1.21 -0.86 2.04 2.07 -0.66 -3.30 116.25 116.75 2b35 h VAL 78 Ca -0.00 -1.94 0.19 0.00 0.82 0.00 0.00 66.70 65.77 2b35 h VAL 78 Cb 0.86 2.32 -0.11 0.00 -1.52 0.00 0.00 31.29 32.84 2b35 h VAL 78 CO 0.00 0.41 0.37 0.74 0.02 0.00 0.00 177.57 179.12 2b35 h THR 79 N -1.00 0.56 -0.17 2.57 2.02 -0.42 0.70 112.91 117.17 2b35 h THR 79 Ca -0.03 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2b35 h THR 79 Cb 0.74 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2b35 h THR 79 CO -0.02 0.08 0.04 -0.08 0.37 0.00 0.00 175.52 175.92 2b35 h GLU 80 N 0.45 0.23 0.10 6.66 4.22 -1.53 -2.07 114.58 122.64 2b35 h GLU 80 Ca 0.51 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.77 2b35 h GLU 80 Cb 0.88 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.10 2b35 h GLU 80 CO -0.47 0.22 -0.67 0.00 -2.18 0.00 0.00 179.01 175.91 2b35 h ALA 81 N 1.82 -0.05 -0.31 2.92 0.00 0.29 -3.33 119.26 120.59 2b35 h ALA 81 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2b35 h ALA 81 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2b35 h ALA 81 CO -0.00 0.32 0.00 0.44 0.00 0.00 0.00 179.25 180.00 2b35 n ILE 82 N -4.21 0.42 0.00 0.00 -5.35 -0.60 -5.03 119.36 104.59 2b35 n ILE 82 Ca -0.13 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2b35 n ILE 82 Cb 0.75 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 2b35 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b35 n GLY 83 N 1.08 -1.32 3.80 3.28 0.00 -0.79 -4.76 105.19 106.48 2b35 n GLY 83 Ca 0.13 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 2b35 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b35 s ALA 84 N -3.39 2.88 0.00 4.61 0.00 -1.25 -3.28 121.76 121.34 2b35 s ALA 84 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2b35 s ALA 84 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2b35 s ALA 84 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2b35 n GLY 85 N -0.28 0.91 3.58 0.00 0.00 -1.26 -5.02 105.19 103.11 2b35 n GLY 85 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2b35 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b35 s ASN 86 N -2.86 4.45 0.21 1.61 0.01 -1.20 -5.13 114.94 112.03 2b35 s ASN 86 Ca 0.00 -0.27 0.07 0.00 -0.71 0.00 0.00 52.86 51.95 2b35 s ASN 86 Cb 0.00 -0.94 -0.05 0.00 0.41 0.00 0.00 41.25 40.68 2b35 s ASN 86 CO 0.00 0.24 -0.13 -0.54 -1.51 0.00 0.00 177.10 175.16 2b35 s LYS 87 N -1.75 1.35 0.47 -0.60 1.02 -1.26 -4.91 119.74 114.05 2b35 s LYS 87 Ca 0.19 -1.61 -0.20 0.00 0.02 0.00 0.00 55.97 54.36 2b35 s LYS 87 Cb -0.11 -1.09 -0.09 0.00 -0.52 0.00 0.00 37.83 36.01 2b35 s LYS 87 CO 0.10 0.16 1.01 -0.51 -0.92 0.00 0.00 175.35 175.18 2b35 s LEU 88 N -3.33 3.87 -0.19 3.17 1.43 0.10 -4.76 118.68 118.98 2b35 s LEU 88 Ca 0.23 1.84 0.10 0.00 -1.03 0.00 0.00 54.13 55.28 2b35 s LEU 88 Cb 0.00 -4.55 -0.19 0.00 0.03 0.00 0.00 46.19 41.48 2b35 s LEU 88 CO 0.07 -0.64 -0.04 0.47 0.23 0.00 0.00 176.35 176.45 2b35 n ASP 89 N -0.87 1.26 -4.18 2.29 8.00 0.76 -0.64 116.55 123.16 2b35 n ASP 89 Ca 0.08 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 2b35 n ASP 89 Cb 0.53 0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 41.98 2b35 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2b35 s GLY 90 N -5.53 0.84 -0.06 0.44 0.00 -0.73 -1.24 107.32 101.03 2b35 s GLY 90 Ca -0.17 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 2b35 s GLY 90 CO 0.64 -1.37 0.11 0.14 0.00 0.00 0.00 173.10 172.63 2b35 s VAL 91 N -2.98 -0.15 -0.24 1.40 1.01 0.15 -0.48 120.40 119.11 2b35 s VAL 91 Ca 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 2b35 s VAL 91 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2b35 s VAL 91 CO -0.02 0.13 0.01 -0.69 0.00 0.00 0.00 175.10 174.54 2b35 s VAL 92 N 1.89 3.81 -0.43 2.92 1.01 0.12 0.42 120.40 130.14 2b35 s VAL 92 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2b35 s VAL 92 Cb -0.12 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2b35 s VAL 92 CO -0.05 0.37 0.34 -2.28 0.00 0.00 0.00 175.10 173.48 2b35 s HIS 93 N 1.54 3.23 -0.37 5.22 2.46 0.61 -2.21 115.29 125.77 2b35 s HIS 93 Ca 0.06 -0.67 0.13 0.00 0.47 0.00 0.00 55.06 55.05 2b35 s HIS 93 Cb -0.15 -2.79 0.45 0.00 -0.13 0.00 0.00 32.58 29.96 2b35 s HIS 93 CO 0.00 -0.66 1.02 0.45 -2.47 0.00 0.00 174.74 173.08 2b35 n SER 94 N 5.22 2.79 -4.53 9.88 2.88 -1.25 -1.60 113.62 127.02 2b35 n SER 94 Ca -0.11 -3.11 -0.32 0.00 -1.33 0.00 0.00 58.87 54.00 2b35 n SER 94 Cb 0.46 -0.50 -0.12 0.00 -0.75 0.00 0.00 64.21 63.31 2b35 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2b35 s ILE 95 N -4.12 3.25 -0.30 2.46 1.01 -1.26 -4.11 121.20 118.13 2b35 s ILE 95 Ca 0.36 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 2b35 s ILE 95 Cb 0.43 -2.37 0.18 0.00 0.01 0.00 0.00 42.46 40.71 2b35 s ILE 95 CO -0.05 0.41 1.13 -0.83 0.00 0.00 0.00 174.94 175.60 2b35 s GLY 96 N -1.29 0.24 -0.11 6.18 0.00 -1.26 -4.71 107.32 106.37 2b35 s GLY 96 Ca 0.15 3.45 -0.12 0.00 0.00 0.00 0.00 44.72 48.21 2b35 s GLY 96 CO 0.05 2.89 0.33 -0.12 0.00 0.00 0.00 173.10 176.26 2b35 s PHE 97 N 1.54 -0.35 -0.15 1.90 5.36 -1.26 -4.97 117.98 120.04 2b35 s PHE 97 Ca -0.06 0.82 -0.07 0.00 -0.96 0.00 0.00 56.93 56.66 2b35 s PHE 97 Cb -0.03 0.12 0.06 0.00 -0.34 0.00 0.00 43.02 42.83 2b35 s PHE 97 CO -0.14 -0.20 0.36 1.41 -1.46 0.00 0.00 175.22 175.19 2b35 s MET 98 N -0.00 0.31 0.82 10.12 -2.45 -1.26 -4.17 119.30 122.67 2b35 s MET 98 Ca -0.02 0.76 -0.13 0.00 -1.25 0.00 0.00 55.69 55.05 2b35 s MET 98 Cb -0.03 0.00 0.07 0.00 1.25 0.00 0.00 34.83 36.13 2b35 s MET 98 CO 0.01 -0.19 1.05 -2.30 1.05 0.00 0.00 175.02 174.64 2b35 n PRO 99 N 4.53 0.10 0.29 4.11 -0.02 -1.26 -4.85 135.00 137.90 2b35 n PRO 99 Ca -0.20 0.11 0.17 0.00 -2.02 0.00 0.00 63.50 61.56 2b35 n PRO 99 Cb 0.53 -2.31 0.87 0.00 -0.02 0.00 0.00 33.50 32.57 2b35 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2b35 h GLN 100 N -0.98 0.00 -0.23 -0.52 1.08 -1.99 -1.09 115.11 111.38 2b35 h GLN 100 Ca -0.46 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2b35 h GLN 100 Cb 1.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 2b35 h GLN 100 CO 0.44 0.05 0.02 0.00 -0.95 0.00 0.00 178.83 178.39 2b35 h THR 101 N 0.00 1.13 -0.61 -0.54 1.03 -1.96 -2.97 112.91 109.00 2b35 h THR 101 Ca -0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2b35 h THR 101 Cb 0.28 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 2b35 h THR 101 CO 0.01 0.17 0.00 0.61 -0.01 0.00 0.00 175.52 176.30 2b35 n GLY 102 N -1.14 2.03 3.14 2.99 0.00 -0.41 -3.89 105.19 107.90 2b35 n GLY 102 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.32 2b35 n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b35 s MET 103 N -1.19 0.53 0.00 1.61 1.00 -1.12 -1.05 119.30 119.09 2b35 s MET 103 Ca 0.44 0.96 0.00 0.00 0.00 0.00 0.00 55.69 57.09 2b35 s MET 103 Cb 0.23 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.47 2b35 s MET 103 CO 0.31 -0.60 0.00 0.41 0.00 0.00 0.00 175.02 175.14 2b35 n GLY 104 N 5.42 0.28 0.26 -0.03 0.00 0.35 -4.66 105.19 106.81 2b35 n GLY 104 Ca -0.02 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.66 2b35 n GLY 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b35 h ILE 105 N 0.00 0.11 -3.78 -0.61 6.09 -1.86 -3.39 117.51 114.06 2b35 h ILE 105 Ca 0.00 -0.73 -0.50 0.00 -1.37 0.00 0.00 64.86 62.26 2b35 h ILE 105 Cb 0.00 1.65 0.01 0.00 0.47 0.00 0.00 36.82 38.95 2b35 h ILE 105 CO 0.00 0.05 0.46 0.21 -3.07 0.00 0.00 178.15 175.79 2b35 s ASN 106 N -5.88 7.33 0.63 2.19 2.47 -1.26 -4.97 114.94 115.45 2b35 s ASN 106 Ca 0.02 2.21 -0.19 0.00 0.42 0.00 0.00 52.86 55.32 2b35 s ASN 106 Cb 0.08 -2.62 -0.02 0.00 -1.45 0.00 0.00 41.25 37.24 2b35 s ASN 106 CO 0.58 -0.10 1.28 -2.65 -3.72 0.00 0.00 177.10 172.50 2b35 n PRO 107 N 1.33 1.21 -0.35 0.43 -0.02 -1.26 -4.77 135.00 131.58 2b35 n PRO 107 Ca -0.01 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 2b35 n PRO 107 Cb 0.45 -2.51 0.22 0.00 -0.02 0.00 0.00 33.50 31.64 2b35 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2b35 h PHE 108 N 0.70 1.14 0.00 6.00 3.57 -1.93 -2.10 116.94 124.32 2b35 h PHE 108 Ca -0.51 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2b35 h PHE 108 Cb 1.34 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2b35 h PHE 108 CO 0.42 0.54 0.00 1.19 -2.23 0.00 0.00 178.31 178.23 2b35 n PHE 109 N -4.53 0.00 0.70 0.41 3.72 -1.26 -3.52 117.46 112.98 2b35 n PHE 109 Ca 0.16 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.64 2b35 n PHE 109 Cb 0.25 -0.21 0.04 0.00 -0.94 0.00 0.00 39.48 38.62 2b35 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2b35 n ASP 110 N -1.21 2.10 -4.65 4.37 8.00 -0.79 -4.89 116.55 119.48 2b35 n ASP 110 Ca 0.15 -1.55 -0.43 0.00 0.71 0.00 0.00 54.79 53.68 2b35 n ASP 110 Cb 0.19 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 2b35 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b35 s ALA 111 N -1.59 3.55 0.56 2.24 0.00 -1.23 -4.96 121.76 120.33 2b35 s ALA 111 Ca 0.17 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 2b35 s ALA 111 Cb 0.14 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2b35 s ALA 111 CO 0.28 -1.44 1.03 -2.14 0.00 0.00 0.00 175.76 173.50 2b35 s PRO 112 N 3.91 3.55 0.23 0.00 0.02 -1.26 -4.88 135.00 136.57 2b35 s PRO 112 Ca 0.62 1.14 -0.06 0.00 0.02 0.00 0.00 61.00 62.72 2b35 s PRO 112 Cb -0.24 -2.07 0.22 0.00 0.02 0.00 0.00 34.50 32.43 2b35 s PRO 112 CO 0.22 -0.61 1.78 -0.92 -0.33 0.00 0.00 177.00 177.13 2b35 h TYR 113 N 0.69 1.10 -0.02 6.54 3.20 -1.98 -2.16 116.97 124.33 2b35 h TYR 113 Ca -0.47 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.30 2b35 h TYR 113 Cb 1.21 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2b35 h TYR 113 CO 0.60 0.87 0.05 0.00 -1.64 0.00 0.00 178.16 178.04 2b35 h ALA 114 N 1.20 1.23 0.02 1.82 0.00 -1.98 1.03 119.26 122.59 2b35 h ALA 114 Ca 0.23 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 2b35 h ALA 114 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2b35 h ALA 114 CO -0.01 -0.06 -1.63 -0.25 0.00 0.00 0.00 179.25 177.30 2b35 n ASP 115 N -3.32 1.92 -0.28 0.00 10.43 -0.93 -3.29 116.55 121.08 2b35 n ASP 115 Ca -0.03 0.36 0.11 0.00 2.57 0.00 0.00 54.79 57.80 2b35 n ASP 115 Cb 0.12 -0.91 0.26 0.00 1.84 0.00 0.00 41.12 42.43 2b35 n ASP 115 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 2b35 h VAL 116 N -0.80 0.43 -0.12 2.53 2.07 -0.66 -2.01 116.25 117.69 2b35 h VAL 116 Ca -0.43 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 66.80 2b35 h VAL 116 Cb 1.49 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2b35 h VAL 116 CO -0.20 0.05 -0.70 -1.28 0.02 0.00 0.00 177.57 175.46 2b35 h SER 117 N 0.29 0.63 0.16 0.57 0.87 0.90 -1.67 113.55 115.30 2b35 h SER 117 Ca 0.51 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2b35 h SER 117 Cb 0.96 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2b35 h SER 117 CO -0.57 1.14 -0.18 0.50 -0.53 0.00 0.00 176.83 177.19 2b35 h LYS 118 N 0.38 -0.37 0.00 2.24 3.64 -1.42 0.04 116.57 121.08 2b35 h LYS 118 Ca -0.03 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2b35 h LYS 118 Cb 1.28 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2b35 h LYS 118 CO 0.13 -0.25 0.00 0.78 -2.27 0.00 0.00 179.45 177.84 2b35 h GLY 119 N -0.38 0.00 0.52 5.01 0.00 -1.17 0.37 103.07 107.41 2b35 h GLY 119 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2b35 h GLY 119 CO -0.06 0.00 -1.95 1.39 0.00 0.00 0.00 176.54 175.92 2b35 n ILE 120 N -2.56 1.75 -0.19 2.60 5.41 -0.65 -1.69 119.36 124.03 2b35 n ILE 120 Ca -0.00 -0.59 -0.13 0.00 1.00 0.00 0.00 62.75 63.03 2b35 n ILE 120 Cb 0.16 -1.76 -0.10 0.00 -0.71 0.00 0.00 39.64 37.24 2b35 n ILE 120 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2b35 h HIS 121 N -0.05 -1.71 -0.14 1.39 2.76 -0.67 0.34 115.15 117.07 2b35 h HIS 121 Ca -0.43 0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 57.71 2b35 h HIS 121 Cb 1.95 0.82 0.00 0.00 1.55 0.00 0.00 27.41 31.73 2b35 h HIS 121 CO 0.08 -0.47 -0.41 0.82 -1.30 0.00 0.00 177.93 176.64 2b35 h ILE 122 N -0.32 1.36 0.00 6.26 2.04 -1.03 0.30 117.51 126.11 2b35 h ILE 122 Ca 0.09 -1.70 -0.16 0.00 1.00 0.00 0.00 64.86 64.09 2b35 h ILE 122 Cb 0.56 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2b35 h ILE 122 CO -0.66 0.51 -1.17 0.28 0.00 0.00 0.00 178.15 177.12 2b35 h SER 123 N 0.14 0.00 0.00 1.72 0.02 -1.35 -3.40 113.55 110.68 2b35 h SER 123 Ca -0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2b35 h SER 123 Cb 1.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2b35 h SER 123 CO 0.09 0.62 -0.89 0.00 -1.14 0.00 0.00 176.83 175.51 2b35 n ALA 124 N -2.36 2.23 -0.04 3.77 0.00 0.11 -4.73 120.51 119.49 2b35 n ALA 124 Ca -0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 2b35 n ALA 124 Cb 0.84 0.24 0.18 0.00 0.00 0.00 0.00 19.45 20.71 2b35 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b35 h TYR 125 N -0.39 0.68 -0.78 0.00 5.03 -0.88 -2.39 116.97 118.24 2b35 h TYR 125 Ca -0.11 -0.13 0.22 0.00 2.58 0.00 0.00 58.73 61.29 2b35 h TYR 125 Cb 0.74 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.81 2b35 h TYR 125 CO -0.11 0.74 0.56 0.66 -1.32 0.00 0.00 178.16 178.69 2b35 h SER 126 N 0.56 0.04 -0.72 -2.11 4.64 -1.15 -1.62 113.55 113.20 2b35 h SER 126 Ca 0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2b35 h SER 126 Cb 0.59 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2b35 h SER 126 CO 0.04 0.02 0.25 0.22 -0.87 0.00 0.00 176.83 176.49 2b35 h TYR 127 N 0.04 1.13 -0.14 4.77 3.20 -1.71 -2.23 116.97 122.03 2b35 h TYR 127 Ca 0.38 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 62.01 2b35 h TYR 127 Cb 1.44 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2b35 h TYR 127 CO -0.00 0.89 -0.45 0.00 -1.64 0.00 0.00 178.16 176.96 2b35 h ALA 128 N 1.12 0.24 0.00 1.82 0.00 -1.46 -3.02 119.26 117.96 2b35 h ALA 128 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2b35 h ALA 128 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2b35 h ALA 128 CO -0.01 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2b35 h SER 129 N 0.17 0.00 0.12 0.00 4.64 -1.37 0.12 113.55 117.22 2b35 h SER 129 Ca -0.02 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 2b35 h SER 129 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2b35 h SER 129 CO 0.09 0.00 -1.66 0.24 -0.87 0.00 0.00 176.83 174.64 2b35 h MET 130 N 0.00 0.25 -0.88 4.77 2.07 -1.50 -3.00 114.93 116.64 2b35 h MET 130 Ca 0.00 -0.43 0.02 0.00 -2.07 0.00 0.00 59.70 57.22 2b35 h MET 130 Cb 0.37 0.16 -0.05 0.00 -1.87 0.00 0.00 31.60 30.21 2b35 h MET 130 CO 0.00 1.21 0.58 0.00 1.07 0.00 0.00 176.91 179.77 2b35 h ALA 131 N -0.03 1.41 -0.02 6.32 0.00 -1.36 -1.40 119.26 124.19 2b35 h ALA 131 Ca -0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2b35 h ALA 131 Cb 1.86 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2b35 h ALA 131 CO 0.06 0.52 0.01 -0.22 0.00 0.00 0.00 179.25 179.62 2b35 h LYS 132 N 1.14 0.02 -0.62 0.00 3.64 -0.89 -0.28 116.57 119.58 2b35 h LYS 132 Ca 0.34 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2b35 h LYS 132 Cb -0.05 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2b35 h LYS 132 CO -0.09 0.15 0.15 0.00 -2.27 0.00 0.00 179.45 177.40 2b35 h ALA 133 N 0.87 0.82 0.00 5.00 0.00 -1.36 -3.32 119.26 121.26 2b35 h ALA 133 Ca 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2b35 h ALA 133 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2b35 h ALA 133 CO -0.00 0.53 -1.97 1.28 0.00 0.00 0.00 179.25 179.09 2b35 n LEU 134 N -4.33 0.16 -0.22 0.00 4.77 -0.55 -4.39 117.00 112.44 2b35 n LEU 134 Ca 0.04 0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2b35 n LEU 134 Cb 0.24 0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.61 2b35 n LEU 134 CO 0.41 0.15 0.85 0.25 -1.33 0.00 0.00 177.39 177.72 2b35 h LEU 135 N 0.00 -0.23 -1.63 2.23 5.85 -1.14 -0.01 115.31 120.38 2b35 h LEU 135 Ca -0.18 0.16 0.20 0.00 0.84 0.00 0.00 57.88 58.91 2b35 h LEU 135 Cb 1.43 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 2b35 h LEU 135 CO 0.01 -0.11 0.58 -0.65 -0.34 0.00 0.00 178.44 177.93 2b35 h PRO 136 N 0.15 0.30 -1.80 5.25 0.11 -1.77 -1.78 132.00 132.46 2b35 h PRO 136 Ca 0.36 -0.02 -0.71 0.00 0.11 0.00 0.00 66.00 65.74 2b35 h PRO 136 Cb 0.60 -0.07 -0.32 0.00 0.11 0.00 0.00 31.00 31.33 2b35 h PRO 136 CO -0.55 0.20 0.53 0.44 -0.21 0.00 0.00 178.00 178.41 2b35 n ILE 137 N -4.46 3.24 -4.04 4.15 -5.35 -0.03 -4.96 119.36 107.92 2b35 n ILE 137 Ca 0.18 -4.42 -0.25 0.00 -0.27 0.00 0.00 62.75 57.99 2b35 n ILE 137 Cb 0.72 -1.24 -0.17 0.00 -1.74 0.00 0.00 39.64 37.21 2b35 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2b35 s MET 138 N -3.91 1.36 0.36 6.28 -1.94 -0.67 -0.72 119.30 120.06 2b35 s MET 138 Ca 0.51 -0.22 -0.28 0.00 -1.71 0.00 0.00 55.69 53.99 2b35 s MET 138 Cb 0.43 -1.39 -0.11 0.00 2.01 0.00 0.00 34.83 35.77 2b35 s MET 138 CO -0.33 -0.20 1.52 0.09 -0.01 0.00 0.00 175.02 176.09 2b35 n ASN 139 N 4.67 3.86 -4.67 3.03 5.03 0.19 -4.93 115.26 122.44 2b35 n ASN 139 Ca -0.15 1.21 -0.44 0.00 0.87 0.00 0.00 54.58 56.07 2b35 n ASN 139 Cb 0.50 -1.62 -0.02 0.00 -1.02 0.00 0.00 39.78 37.62 2b35 n ASN 139 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2b35 n PRO 140 N 0.76 1.98 -0.13 3.52 -0.02 -1.26 -1.15 135.00 138.70 2b35 n PRO 140 Ca 0.02 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2b35 n PRO 140 Cb 0.39 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2b35 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b35 n GLY 141 N 1.70 0.61 2.46 -1.23 0.00 0.32 -4.99 105.19 104.05 2b35 n GLY 141 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2b35 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b35 n GLY 142 N -2.00 -3.53 3.19 -0.02 0.00 -0.30 -4.80 105.19 97.73 2b35 n GLY 142 Ca 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 2b35 n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b35 s SER 143 N -3.11 -0.39 -0.23 1.61 0.15 -0.37 -2.15 113.70 109.21 2b35 s SER 143 Ca 0.51 0.82 -0.12 0.00 0.70 0.00 0.00 55.95 57.86 2b35 s SER 143 Cb -0.08 1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 65.72 2b35 s SER 143 CO 0.42 -0.26 0.23 -0.63 1.20 0.00 0.00 173.24 174.20 2b35 s ILE 144 N 2.67 5.31 -0.01 6.45 1.01 0.14 0.34 121.20 137.11 2b35 s ILE 144 Ca 0.06 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.05 2b35 s ILE 144 Cb -0.14 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2b35 s ILE 144 CO -0.16 0.31 -0.06 0.54 0.00 0.00 0.00 174.94 175.58 2b35 s VAL 145 N 1.17 0.49 0.15 2.92 0.11 0.17 -1.61 120.40 123.81 2b35 s VAL 145 Ca 0.11 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2b35 s VAL 145 Cb -0.14 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2b35 s VAL 145 CO 0.06 0.16 0.01 -0.83 -3.33 0.00 0.00 175.10 171.16 2b35 s GLY 146 N 0.09 1.08 -0.27 6.54 0.00 -0.96 -0.29 107.32 113.51 2b35 s GLY 146 Ca -0.01 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.03 2b35 s GLY 146 CO -0.00 -1.47 0.42 1.06 0.00 0.00 0.00 173.10 173.11 2b35 s MET 147 N -3.94 4.00 0.34 2.90 -1.94 -0.63 -1.68 119.30 118.36 2b35 s MET 147 Ca 0.22 0.10 0.07 0.00 -1.71 0.00 0.00 55.69 54.37 2b35 s MET 147 Cb 0.06 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.21 2b35 s MET 147 CO 0.02 -0.32 0.33 0.34 -0.01 0.00 0.00 175.02 175.38 2b35 s ASP 148 N 1.62 5.38 -0.04 3.03 2.15 0.19 -4.93 116.67 124.06 2b35 s ASP 148 Ca 0.17 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2b35 s ASP 148 Cb -0.16 -0.97 0.02 0.00 -0.30 0.00 0.00 42.92 41.52 2b35 s ASP 148 CO 0.10 -0.40 -0.02 0.12 -0.17 0.00 0.00 175.17 174.80 2b35 s PHE 149 N -2.30 0.57 -0.43 -5.34 2.19 -1.26 -2.11 117.98 109.29 2b35 s PHE 149 Ca 0.42 -0.12 -0.34 0.00 0.33 0.00 0.00 56.93 57.23 2b35 s PHE 149 Cb -0.06 -0.60 -0.12 0.00 -1.31 0.00 0.00 43.02 40.93 2b35 s PHE 149 CO 0.27 -0.20 2.27 -3.47 1.83 0.00 0.00 175.22 175.92 2b35 n ASP 150 N 4.33 1.93 -1.61 6.13 2.03 -1.26 -4.82 116.55 123.28 2b35 n ASP 150 Ca -0.21 0.29 0.09 0.00 0.52 0.00 0.00 54.79 55.47 2b35 n ASP 150 Cb 0.50 -1.26 0.36 0.00 -0.72 0.00 0.00 41.12 40.01 2b35 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2b35 n PRO 151 N 8.31 3.89 0.22 -0.67 -0.04 -1.26 -4.65 135.00 140.81 2b35 n PRO 151 Ca 0.44 -2.93 0.12 0.00 -0.04 0.00 0.00 63.50 61.09 2b35 n PRO 151 Cb 0.24 -1.94 0.70 0.00 -0.04 0.00 0.00 33.50 32.46 2b35 n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2b35 h SER 152 N 3.99 0.00 -3.68 3.54 0.02 -1.93 -3.42 113.55 112.07 2b35 h SER 152 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2b35 h SER 152 Cb 1.53 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.88 2b35 h SER 152 CO 0.27 0.00 -0.79 -0.13 -1.14 0.00 0.00 176.83 175.04 2b35 s ARG 153 N -4.96 1.23 0.56 3.45 0.52 -1.26 -5.13 118.95 113.36 2b35 s ARG 153 Ca -0.05 -1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 53.63 2b35 s ARG 153 Cb 0.17 -1.30 -0.05 0.00 0.52 0.00 0.00 34.95 34.28 2b35 s ARG 153 CO 0.65 0.27 1.04 0.00 0.02 0.00 0.00 175.30 177.28 2b35 s ALA 154 N -1.93 2.81 0.07 2.13 0.00 -1.26 -5.08 121.76 118.50 2b35 s ALA 154 Ca 0.14 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 2b35 s ALA 154 Cb -0.06 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.86 2b35 s ALA 154 CO 0.06 -0.63 0.30 0.00 0.00 0.00 0.00 175.76 175.48 2b35 s MET 155 N -3.92 0.86 0.50 0.00 0.23 -1.26 -5.15 119.30 110.57 2b35 s MET 155 Ca 0.64 -0.64 -0.23 0.00 -1.03 0.00 0.00 55.69 54.42 2b35 s MET 155 Cb -0.15 0.37 -0.06 0.00 -1.53 0.00 0.00 34.83 33.45 2b35 s MET 155 CO 0.33 -0.29 1.38 -1.25 -2.03 0.00 0.00 175.02 173.16 2b35 s PRO 156 N -3.07 3.42 0.00 3.16 0.04 -1.26 -3.94 135.00 133.35 2b35 s PRO 156 Ca -0.01 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2b35 s PRO 156 Cb 0.01 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2b35 s PRO 156 CO -0.07 -0.98 0.00 0.00 0.04 0.00 0.00 177.00 175.99 2b35 n ALA 157 N -0.62 0.00 -0.09 8.56 0.00 -1.26 -4.57 120.51 122.53 2b35 n ALA 157 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2b35 n ALA 157 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 2b35 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b35 h TYR 158 N 0.00 0.75 0.00 0.00 3.20 -1.88 1.00 116.97 120.03 2b35 h TYR 158 Ca 0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2b35 h TYR 158 Cb 0.00 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.11 2b35 h TYR 158 CO 0.00 0.91 0.00 0.09 -1.64 0.00 0.00 178.16 177.52 2b35 n ASN 159 N -4.35 0.00 0.26 -2.11 4.13 -1.26 -1.92 115.26 110.01 2b35 n ASN 159 Ca -0.04 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.38 2b35 n ASN 159 Cb 0.42 0.00 0.54 0.00 -1.54 0.00 0.00 39.78 39.20 2b35 n ASN 159 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 2b35 h TRP 160 N 0.00 0.00 -0.00 3.10 4.06 -1.40 -0.92 115.95 120.79 2b35 h TRP 160 Ca 0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 2b35 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2b35 h TRP 160 CO 0.00 0.02 -0.47 1.98 -3.56 0.00 0.00 178.44 176.41 2b35 h MET 161 N 0.00 0.00 -0.79 0.49 4.05 -1.54 -0.38 114.93 116.77 2b35 h MET 161 Ca -0.00 -0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2b35 h MET 161 Cb 0.66 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.39 2b35 h MET 161 CO 0.00 0.48 0.44 1.15 0.23 0.00 0.00 176.91 179.21 2b35 h THR 162 N 0.00 0.91 -0.21 -0.77 2.02 -1.24 -0.83 112.91 112.78 2b35 h THR 162 Ca -0.00 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 2b35 h THR 162 Cb 0.84 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2b35 h THR 162 CO 0.06 0.14 -0.33 0.58 0.37 0.00 0.00 175.52 176.34 2b35 h VAL 163 N 0.75 1.33 -1.00 3.16 2.07 -1.43 -0.63 116.25 120.50 2b35 h VAL 163 Ca 0.38 -1.54 0.16 0.00 0.82 0.00 0.00 66.70 66.52 2b35 h VAL 163 Cb 0.34 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 2b35 h VAL 163 CO -0.24 0.48 0.62 0.00 0.02 0.00 0.00 177.57 178.45 2b35 h ALA 164 N 0.62 1.63 0.25 1.67 0.00 -0.89 -0.84 119.26 121.71 2b35 h ALA 164 Ca 0.02 0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 2b35 h ALA 164 Cb 0.91 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 18.60 2b35 h ALA 164 CO 0.08 0.06 -1.48 0.87 0.00 0.00 0.00 179.25 178.77 2b35 h LYS 165 N 0.85 0.53 -0.61 0.00 1.79 -0.96 -0.51 116.57 117.66 2b35 h LYS 165 Ca 0.54 -0.91 0.11 0.00 -2.18 0.00 0.00 60.65 58.21 2b35 h LYS 165 Cb 0.72 0.34 -0.08 0.00 -1.58 0.00 0.00 32.23 31.63 2b35 h LYS 165 CO -0.32 1.43 0.17 0.77 -1.08 0.00 0.00 179.45 180.42 2b35 h SER 166 N 0.13 0.08 -0.40 0.86 0.02 -0.98 0.19 113.55 113.45 2b35 h SER 166 Ca -0.26 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 2b35 h SER 166 Cb 2.15 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.80 2b35 h SER 166 CO 0.27 0.05 -0.11 0.00 -1.14 0.00 0.00 176.83 175.89 2b35 h ALA 167 N 1.47 0.92 -0.01 3.77 0.00 -1.07 -2.17 119.26 122.15 2b35 h ALA 167 Ca 0.32 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2b35 h ALA 167 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b35 h ALA 167 CO -0.38 0.63 -0.04 1.25 0.00 0.00 0.00 179.25 180.71 2b35 h LEU 168 N 0.77 -0.10 -0.73 0.00 6.46 -0.40 0.57 115.31 121.88 2b35 h LEU 168 Ca 0.13 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.06 2b35 h LEU 168 Cb 0.63 0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.50 2b35 h LEU 168 CO 0.04 -0.05 0.21 -0.33 -0.62 0.00 0.00 178.44 177.69 2b35 h GLU 169 N -0.06 0.30 -0.32 1.25 5.08 -0.79 0.30 114.58 120.34 2b35 h GLU 169 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2b35 h GLU 169 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2b35 h GLU 169 CO -0.05 0.20 0.15 1.03 -1.00 0.00 0.00 179.01 179.35 2b35 h SER 170 N 0.31 0.43 -0.92 1.42 0.87 -0.84 -2.91 113.55 111.91 2b35 h SER 170 Ca 0.41 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2b35 h SER 170 Cb 0.67 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 2b35 h SER 170 CO -0.47 0.43 0.61 0.58 -0.53 0.00 0.00 176.83 177.45 2b35 h VAL 171 N 0.39 1.22 -0.99 2.23 2.07 0.03 -2.53 116.25 118.67 2b35 h VAL 171 Ca 0.11 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.29 2b35 h VAL 171 Cb 0.12 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 2b35 h VAL 171 CO -0.01 0.22 0.64 -1.13 0.02 0.00 0.00 177.57 177.31 2b35 h ASN 172 N 1.23 1.00 0.35 0.57 -1.24 -0.26 0.10 115.58 117.34 2b35 h ASN 172 Ca 0.34 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.31 2b35 h ASN 172 Cb -0.12 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.73 2b35 h ASN 172 CO -0.08 0.62 -0.29 0.03 -1.29 0.00 0.00 177.43 176.41 2b35 h ARG 173 N 1.12 0.00 0.13 6.67 3.08 -1.31 -1.74 114.38 122.33 2b35 h ARG 173 Ca 0.44 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.16 2b35 h ARG 173 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2b35 h ARG 173 CO -0.19 0.29 -1.72 0.74 -1.07 0.00 0.00 179.97 178.03 2b35 h PHE 174 N 0.00 0.49 -0.69 3.04 -1.00 -1.31 -3.34 116.94 114.13 2b35 h PHE 174 Ca -0.00 -0.36 0.03 0.00 2.81 0.00 0.00 57.97 60.45 2b35 h PHE 174 Cb 0.55 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.05 2b35 h PHE 174 CO 0.00 1.52 0.46 0.28 -1.61 0.00 0.00 178.31 178.96 2b35 h VAL 175 N 0.07 1.11 -0.40 -0.55 2.07 -0.64 -1.36 116.25 116.55 2b35 h VAL 175 Ca -0.32 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 66.99 2b35 h VAL 175 Cb 2.05 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2b35 h VAL 175 CO 0.14 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.16 2b35 h ALA 176 N 1.60 2.09 -0.45 1.67 0.00 -1.47 -0.43 119.26 122.27 2b35 h ALA 176 Ca 0.27 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2b35 h ALA 176 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2b35 h ALA 176 CO -0.08 -0.18 -0.16 0.00 0.00 0.00 0.00 179.25 178.84 2b35 h ARG 177 N 0.22 0.87 0.00 0.00 3.08 -1.37 0.06 114.38 117.24 2b35 h ARG 177 Ca 0.18 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 2b35 h ARG 177 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2b35 h ARG 177 CO -0.03 0.97 -0.88 0.93 -1.07 0.00 0.00 179.97 179.89 2b35 h GLU 178 N 0.77 0.00 0.00 0.04 4.39 -1.44 -3.33 114.58 115.01 2b35 h GLU 178 Ca 0.12 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2b35 h GLU 178 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2b35 h GLU 178 CO 0.05 0.33 -0.57 0.00 -1.16 0.00 0.00 179.01 177.66 2b35 h ALA 179 N 1.56 0.74 0.00 3.43 0.00 -0.95 -3.28 119.26 120.76 2b35 h ALA 179 Ca -0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2b35 h ALA 179 Cb 1.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2b35 h ALA 179 CO 0.05 0.38 -0.26 0.78 0.00 0.00 0.00 179.25 180.19 2b35 h GLY 180 N 3.77 0.00 2.00 0.00 0.00 -1.03 0.21 103.07 108.02 2b35 h GLY 180 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2b35 h GLY 180 CO 0.03 0.00 -0.10 0.50 0.00 0.00 0.00 176.54 176.97 2b35 h LYS 181 N 0.00 0.00 -0.02 4.80 1.57 -1.71 -2.76 116.57 118.45 2b35 h LYS 181 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b35 h LYS 181 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2b35 h LYS 181 CO 0.03 0.10 -0.08 0.66 -0.57 0.00 0.00 179.45 179.60 2b35 n TYR 182 N -3.40 0.00 -2.30 -1.35 4.02 -1.05 -4.97 117.16 108.10 2b35 n TYR 182 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 2b35 n TYR 182 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 2b35 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b35 n GLY 183 N 1.10 0.07 3.61 2.72 0.00 -1.03 -4.13 105.19 107.52 2b35 n GLY 183 Ca 0.10 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2b35 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b35 s VAL 184 N -2.55 3.68 0.15 1.61 1.01 0.71 0.12 120.40 125.13 2b35 s VAL 184 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.12 2b35 s VAL 184 Cb -0.02 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2b35 s VAL 184 CO 0.05 0.26 0.18 -0.13 0.00 0.00 0.00 175.10 175.46 2b35 s ARG 185 N -1.82 3.08 -0.05 2.72 0.52 -0.92 -3.57 118.95 118.91 2b35 s ARG 185 Ca 0.20 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2b35 s ARG 185 Cb -0.11 -2.76 0.03 0.00 0.52 0.00 0.00 34.95 32.63 2b35 s ARG 185 CO 0.12 0.50 0.02 0.45 0.02 0.00 0.00 175.30 176.41 2b35 s SER 186 N -3.08 1.15 0.16 0.23 0.15 -1.25 0.27 113.70 111.32 2b35 s SER 186 Ca 0.32 -0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 2b35 s SER 186 Cb -0.11 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.91 2b35 s SER 186 CO 0.25 -0.19 0.29 0.20 1.20 0.00 0.00 173.24 174.99 2b35 s ASN 187 N 1.78 0.04 0.22 5.45 0.01 -0.63 0.12 114.94 121.93 2b35 s ASN 187 Ca 0.01 -0.85 0.10 0.00 -0.71 0.00 0.00 52.86 51.41 2b35 s ASN 187 Cb -0.13 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.92 2b35 s ASN 187 CO -0.04 -0.89 -0.13 -0.76 -1.51 0.00 0.00 177.10 173.78 2b35 s LEU 188 N -2.96 2.82 -0.24 0.60 1.02 -0.13 -2.27 118.68 117.53 2b35 s LEU 188 Ca 0.16 -0.76 -0.03 0.00 0.02 0.00 0.00 54.13 53.53 2b35 s LEU 188 Cb 0.03 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.82 2b35 s LEU 188 CO -0.01 0.07 -0.05 -0.69 0.02 0.00 0.00 176.35 175.69 2b35 s VAL 189 N -2.02 3.05 -0.63 -1.59 1.01 -0.68 -0.77 120.40 118.77 2b35 s VAL 189 Ca 0.27 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2b35 s VAL 189 Cb -0.07 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.90 2b35 s VAL 189 CO 0.15 0.27 0.86 0.00 0.00 0.00 0.00 175.10 176.39 2b35 s ALA 190 N 1.38 3.23 0.29 5.51 0.00 0.20 -0.64 121.76 131.73 2b35 s ALA 190 Ca 0.02 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 49.99 2b35 s ALA 190 Cb -0.16 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 2b35 s ALA 190 CO -0.04 -2.60 0.54 0.00 0.00 0.00 0.00 175.76 173.66 2b35 s ALA 191 N 3.55 3.65 0.90 0.00 0.00 -0.90 -2.06 121.76 126.90 2b35 s ALA 191 Ca 0.18 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 2b35 s ALA 191 Cb -0.19 -2.24 0.13 0.00 0.00 0.00 0.00 23.12 20.81 2b35 s ALA 191 CO 0.09 0.21 1.09 0.20 0.00 0.00 0.00 175.76 177.36 2b35 s GLY 192 N -3.31 1.61 -0.01 0.00 0.00 -0.84 -4.62 107.32 100.15 2b35 s GLY 192 Ca 0.43 -0.13 -0.34 0.00 0.00 0.00 0.00 44.72 44.67 2b35 s GLY 192 CO 0.31 0.37 1.76 -1.55 0.00 0.00 0.00 173.10 173.98 2b35 n PRO 193 N -3.85 2.09 -4.87 2.90 -0.04 -1.26 -5.01 135.00 124.96 2b35 n PRO 193 Ca 0.07 0.76 -0.28 0.00 -0.04 0.00 0.00 63.50 64.01 2b35 n PRO 193 Cb 0.56 -2.57 -0.17 0.00 -0.04 0.00 0.00 33.50 31.28 2b35 n PRO 193 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2b35 s ILE 194 N 2.87 1.56 -0.87 0.52 -1.09 -1.26 -4.40 121.20 118.54 2b35 s ILE 194 Ca 0.88 -0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 58.36 2b35 s ILE 194 Cb -0.71 -1.38 -0.13 0.00 -1.58 0.00 0.00 42.46 38.65 2b35 s ILE 194 CO 0.48 0.45 1.95 0.54 -1.23 0.00 0.00 174.94 177.12 2b35 n ARG 195 N 3.69 1.63 0.08 2.79 5.12 0.29 -5.02 116.66 125.24 2b35 n ARG 195 Ca -0.21 -1.98 -0.10 0.00 -1.93 0.00 0.00 57.85 53.62 2b35 n ARG 195 Cb 0.52 -3.03 -0.03 0.00 -1.16 0.00 0.00 32.46 28.76 2b35 n ARG 195 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2b35 h THR 196 N 4.62 1.48 0.00 0.55 2.02 -1.86 -3.48 112.91 116.25 2b35 h THR 196 Ca 0.41 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.97 2b35 h THR 196 Cb 0.70 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2b35 h THR 196 CO 1.88 0.77 0.00 0.00 0.37 0.00 0.00 175.52 178.54 2b35 n GLN 214 N -3.67 0.00 0.00 6.66 6.02 -1.26 -5.07 117.38 120.07 2b35 n GLN 214 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2b35 n GLN 214 Cb 0.83 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 32.08 2b35 n GLN 214 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2b35 n ILE 215 N 0.01 0.00 0.00 5.09 2.08 -1.26 -4.23 119.36 121.05 2b35 n ILE 215 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2b35 n ILE 215 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 2b35 n ILE 215 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2b35 n GLN 216 N 0.00 0.00 -0.51 0.38 -0.06 -1.26 -4.17 117.38 111.76 2b35 n GLN 216 Ca 0.00 0.00 0.42 0.00 -2.00 0.00 0.00 57.00 55.42 2b35 n GLN 216 Cb 0.00 0.00 0.71 0.00 -4.06 0.00 0.00 30.24 26.89 2b35 n GLN 216 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2b35 h LEU 217 N 0.00 0.15 0.44 1.69 3.38 -1.99 0.91 115.31 119.88 2b35 h LEU 217 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2b35 h LEU 217 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2b35 h LEU 217 CO 0.00 -0.12 -0.22 -0.07 0.09 0.00 0.00 178.44 178.12 2b35 h LEU 218 N 0.05 -0.54 -2.47 1.67 3.38 -1.77 -0.87 115.31 114.76 2b35 h LEU 218 Ca 0.84 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.83 2b35 h LEU 218 Cb 2.92 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 43.81 2b35 h LEU 218 CO -0.26 -0.37 -0.01 -0.33 0.09 0.00 0.00 178.44 177.56 2b35 h GLU 219 N -0.60 0.00 0.42 1.13 5.08 0.21 1.58 114.58 122.40 2b35 h GLU 219 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2b35 h GLU 219 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2b35 h GLU 219 CO 0.09 0.01 -0.20 0.93 -1.00 0.00 0.00 179.01 178.84 2b35 h GLU 220 N 0.00 -0.54 -0.43 2.33 5.08 -0.10 -2.97 114.58 117.95 2b35 h GLU 220 Ca -0.00 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2b35 h GLU 220 Cb 0.03 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2b35 h GLU 220 CO 0.00 -0.25 0.10 0.78 -1.00 0.00 0.00 179.01 178.65 2b35 h GLY 221 N -1.00 0.53 0.86 -3.84 0.00 0.16 0.15 103.07 99.93 2b35 h GLY 221 Ca -0.06 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.25 2b35 h GLY 221 CO 0.09 -0.03 0.03 -0.25 0.00 0.00 0.00 176.54 176.39 2b35 h TRP 222 N 0.24 0.06 -0.19 5.60 2.91 0.18 0.27 115.95 125.02 2b35 h TRP 222 Ca 0.21 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.22 2b35 h TRP 222 Cb 0.25 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2b35 h TRP 222 CO -0.19 0.03 0.04 0.22 -1.03 0.00 0.00 178.44 177.50 2b35 h ASP 223 N 0.10 0.29 -0.51 2.65 1.82 -1.22 0.88 116.42 120.43 2b35 h ASP 223 Ca 0.06 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 2b35 h ASP 223 Cb 0.05 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 2b35 h ASP 223 CO -0.07 0.45 0.32 -0.61 -1.61 0.00 0.00 179.24 177.72 2b35 h GLN 224 N 0.11 0.68 -0.27 0.28 4.15 -0.78 -3.14 115.11 116.13 2b35 h GLN 224 Ca 0.06 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 2b35 h GLN 224 Cb 0.28 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2b35 h GLN 224 CO 0.00 0.47 -0.06 0.00 -1.93 0.00 0.00 178.83 177.31 2b35 h ARG 225 N 0.68 0.52 -6.14 1.69 3.08 -0.27 -3.43 114.38 110.50 2b35 h ARG 225 Ca 0.18 -0.20 -0.58 0.00 0.07 0.00 0.00 59.98 59.46 2b35 h ARG 225 Cb -0.04 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 29.98 2b35 h ARG 225 CO -0.04 0.73 1.36 0.00 -1.07 0.00 0.00 179.97 180.95 2b35 n ALA 226 N -2.39 1.58 -0.32 0.04 0.00 0.29 -4.61 120.51 115.10 2b35 n ALA 226 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2b35 n ALA 226 Cb 0.31 -2.77 0.18 0.00 0.00 0.00 0.00 19.45 17.16 2b35 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2b35 h PRO 227 N 12.77 0.87 -0.25 0.00 0.11 -1.80 -0.98 132.00 142.71 2b35 h PRO 227 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2b35 h PRO 227 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2b35 h PRO 227 CO 0.96 0.57 0.00 0.44 -0.21 0.00 0.00 178.00 179.76 2b35 n ILE 228 N -4.68 0.32 0.00 4.15 -5.35 -1.25 -5.05 119.36 107.51 2b35 n ILE 228 Ca 0.15 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2b35 n ILE 228 Cb 0.27 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 2b35 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b35 n GLY 229 N 1.22 -0.50 3.27 3.28 0.00 -0.38 -5.03 105.19 107.06 2b35 n GLY 229 Ca 0.17 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 2b35 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2b35 s TRP 230 N -1.84 -0.69 -0.26 1.61 -0.11 -1.26 -4.53 118.94 111.86 2b35 s TRP 230 Ca 0.00 1.39 -0.05 0.00 1.22 0.00 0.00 56.10 58.66 2b35 s TRP 230 Cb 0.00 0.28 0.00 0.00 -1.50 0.00 0.00 33.47 32.26 2b35 s TRP 230 CO 0.00 -0.40 0.02 1.21 -4.62 0.00 0.00 176.95 173.16 2b35 s ASN 231 N 1.89 4.77 0.07 5.86 2.47 -1.26 -4.63 114.94 124.12 2b35 s ASN 231 Ca -0.06 -0.61 0.28 0.00 0.42 0.00 0.00 52.86 52.88 2b35 s ASN 231 Cb -0.10 -1.81 1.03 0.00 -1.45 0.00 0.00 41.25 38.92 2b35 s ASN 231 CO -0.13 -0.12 1.83 1.15 -3.72 0.00 0.00 177.10 176.11 2b35 n MET 232 N 4.82 0.09 0.00 0.43 0.00 -1.26 -3.03 117.12 118.16 2b35 n MET 232 Ca -0.16 0.07 0.13 0.00 0.00 0.00 0.00 57.70 57.74 2b35 n MET 232 Cb 0.49 -1.60 0.42 0.00 0.00 0.00 0.00 33.22 32.53 2b35 n MET 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2b35 n LYS 233 N -1.76 0.42 -4.03 3.17 5.02 -1.26 0.10 118.16 119.82 2b35 n LYS 233 Ca 0.06 -0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 2b35 n LYS 233 Cb 0.37 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.74 2b35 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2b35 s ASP 234 N -2.72 4.50 0.37 4.39 2.15 -1.17 -4.87 116.67 119.32 2b35 s ASP 234 Ca 0.20 -1.32 0.24 0.00 0.43 0.00 0.00 52.55 52.10 2b35 s ASP 234 Cb 0.19 -1.59 0.45 0.00 -0.30 0.00 0.00 42.92 41.66 2b35 s ASP 234 CO 0.57 -0.20 1.62 0.00 -0.17 0.00 0.00 175.17 177.00 2b35 h ALA 235 N 7.84 0.97 -0.90 3.66 0.00 -1.86 -3.40 119.26 125.57 2b35 h ALA 235 Ca -0.21 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2b35 h ALA 235 Cb 1.05 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2b35 h ALA 235 CO 0.49 0.00 -0.35 1.15 0.00 0.00 0.00 179.25 180.54 2b35 h THR 236 N 0.00 0.05 -0.36 0.00 2.02 -1.94 -0.76 112.91 111.91 2b35 h THR 236 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2b35 h THR 236 Cb 0.93 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2b35 h THR 236 CO 0.00 0.00 0.22 -0.65 0.37 0.00 0.00 175.52 175.46 2b35 h PRO 237 N -0.03 0.48 -0.30 6.66 0.11 -1.99 0.27 132.00 137.21 2b35 h PRO 237 Ca 0.35 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 2b35 h PRO 237 Cb 0.61 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2b35 h PRO 237 CO -0.92 0.34 -0.42 0.28 -0.21 0.00 0.00 178.00 177.07 2b35 h VAL 238 N 0.49 1.29 -0.18 3.15 2.07 -1.47 -1.73 116.25 119.87 2b35 h VAL 238 Ca 0.13 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 2b35 h VAL 238 Cb -0.02 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2b35 h VAL 238 CO -0.03 0.52 0.06 0.00 0.02 0.00 0.00 177.57 178.14 2b35 h ALA 239 N 0.94 0.24 -0.74 1.67 0.00 -0.27 -1.67 119.26 119.43 2b35 h ALA 239 Ca 0.04 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2b35 h ALA 239 Cb 0.97 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2b35 h ALA 239 CO 0.09 -0.15 0.45 0.87 0.00 0.00 0.00 179.25 180.51 2b35 h LYS 240 N 0.13 0.83 -0.54 0.00 1.57 -0.96 0.99 116.57 118.59 2b35 h LYS 240 Ca 0.06 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2b35 h LYS 240 Cb 0.21 -0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.25 2b35 h LYS 240 CO -0.00 0.55 0.12 1.15 -0.57 0.00 0.00 179.45 180.69 2b35 h THR 241 N 0.85 0.69 -0.78 -0.16 2.02 -1.12 0.25 112.91 114.66 2b35 h THR 241 Ca 0.31 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 2b35 h THR 241 Cb 0.11 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2b35 h THR 241 CO -0.15 0.05 0.37 0.58 0.37 0.00 0.00 175.52 176.74 2b35 h VAL 242 N 0.26 1.25 -0.26 3.16 2.07 -0.33 -2.18 116.25 120.21 2b35 h VAL 242 Ca 0.28 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2b35 h VAL 242 Cb 0.38 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2b35 h VAL 242 CO -0.35 0.30 -0.06 0.00 0.02 0.00 0.00 177.57 177.48 2b35 h ALA 244 N 1.55 0.91 0.00 0.00 0.00 0.03 0.66 119.26 122.41 2b35 h ALA 244 Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2b35 h ALA 244 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2b35 h ALA 244 CO 0.02 0.37 -0.47 -0.07 0.00 0.00 0.00 179.25 179.10 2b35 h LEU 245 N 0.98 0.00 -0.49 0.00 -0.00 -0.89 -2.57 115.31 112.34 2b35 h LEU 245 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2b35 h LEU 245 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2b35 h LEU 245 CO -0.05 0.47 0.00 -0.07 -0.00 0.00 0.00 178.44 178.79 2b35 h LEU 246 N 0.00 0.00 0.00 1.67 3.38 -0.39 -3.45 115.31 116.53 2b35 h LEU 246 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2b35 h LEU 246 Cb 0.92 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.81 2b35 h LEU 246 CO 0.06 0.00 0.25 -1.54 0.09 0.00 0.00 178.44 177.30 2b35 n SER 247 N -3.09 -0.59 -0.76 -0.43 3.41 0.17 -4.84 113.62 107.49 2b35 n SER 247 Ca 0.03 -1.26 0.10 0.00 -0.26 0.00 0.00 58.87 57.48 2b35 n SER 247 Cb 0.45 -0.80 0.29 0.00 -0.26 0.00 0.00 64.21 63.89 2b35 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2b35 n ASP 248 N -3.95 2.27 -2.22 4.04 8.00 -1.26 -4.49 116.55 118.93 2b35 n ASP 248 Ca 0.13 -1.86 -0.28 0.00 0.71 0.00 0.00 54.79 53.49 2b35 n ASP 248 Cb 0.46 -0.19 0.13 0.00 -0.02 0.00 0.00 41.12 41.49 2b35 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2b35 n TRP 249 N 0.72 2.99 -2.69 1.24 7.02 -1.26 -4.16 117.44 121.31 2b35 n TRP 249 Ca 0.16 -2.34 -0.06 0.00 -1.02 0.00 0.00 57.50 54.25 2b35 n TRP 249 Cb 0.40 -1.15 0.07 0.00 -2.42 0.00 0.00 31.31 28.21 2b35 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2b35 n LEU 250 N -0.94 -1.65 0.04 -0.99 4.77 -1.26 -4.99 117.00 111.99 2b35 n LEU 250 Ca 0.58 -2.82 0.13 0.00 -0.03 0.00 0.00 56.01 53.88 2b35 n LEU 250 Cb 1.15 0.47 0.50 0.00 -2.33 0.00 0.00 43.42 43.21 2b35 n LEU 250 CO 0.67 1.64 0.88 -0.81 -1.33 0.00 0.00 177.39 178.44 2b35 n PRO 251 N -0.38 0.12 -0.19 3.23 -0.04 -1.26 -3.02 135.00 133.46 2b35 n PRO 251 Ca -0.10 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2b35 n PRO 251 Cb 0.76 -1.63 0.18 0.00 -0.04 0.00 0.00 33.50 32.77 2b35 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b35 n ALA 252 N -1.63 2.29 -3.16 0.55 0.00 -1.26 -4.93 120.51 112.37 2b35 n ALA 252 Ca 0.06 -1.08 -0.35 0.00 0.00 0.00 0.00 53.44 52.07 2b35 n ALA 252 Cb 0.38 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 19.13 2b35 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b35 s THR 253 N -1.05 3.90 0.05 0.00 -1.32 -1.17 -5.09 115.64 110.96 2b35 s THR 253 Ca 0.29 -0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 60.27 2b35 s THR 253 Cb 0.16 -2.77 0.03 0.00 -1.51 0.00 0.00 72.50 68.40 2b35 s THR 253 CO 0.21 0.42 0.39 0.28 -2.21 0.00 0.00 174.62 173.70 2b35 s THR 254 N 1.16 0.06 -0.74 5.08 -1.32 -1.26 -4.68 115.64 113.93 2b35 s THR 254 Ca 0.03 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 2b35 s THR 254 Cb -0.14 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2b35 s THR 254 CO 0.01 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 2b35 n GLY 255 N 0.49 0.88 2.05 6.08 0.00 0.33 -4.95 105.19 110.07 2b35 n GLY 255 Ca -0.18 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 2b35 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b35 n ASP 256 N 0.10 2.18 -3.80 1.61 -0.08 -1.24 -4.48 116.55 110.84 2b35 n ASP 256 Ca -0.07 -2.09 -0.25 0.00 -1.51 0.00 0.00 54.79 50.87 2b35 n ASP 256 Cb 0.31 0.04 -0.17 0.00 2.34 0.00 0.00 41.12 43.63 2b35 n ASP 256 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2b35 s ILE 257 N -1.63 0.61 -0.04 5.18 1.01 -1.26 -0.95 121.20 124.12 2b35 s ILE 257 Ca 0.12 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2b35 s ILE 257 Cb -0.01 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 2b35 s ILE 257 CO 0.08 0.19 0.48 -0.63 0.00 0.00 0.00 174.94 175.06 2b35 s ILE 258 N 1.87 5.03 -0.56 2.92 1.09 0.05 -4.91 121.20 126.69 2b35 s ILE 258 Ca 0.04 0.99 -0.14 0.00 -1.10 0.00 0.00 60.65 60.44 2b35 s ILE 258 Cb -0.13 -3.81 0.14 0.00 -1.06 0.00 0.00 42.46 37.59 2b35 s ILE 258 CO -0.07 0.45 0.49 -0.31 -0.10 0.00 0.00 174.94 175.41 2b35 s TYR 259 N -0.29 3.36 -1.21 3.97 1.51 -1.26 0.63 117.35 124.05 2b35 s TYR 259 Ca 0.26 -1.56 -0.08 0.00 -1.01 0.00 0.00 57.07 54.68 2b35 s TYR 259 Cb -0.17 -3.71 0.21 0.00 -0.11 0.00 0.00 41.96 38.19 2b35 s TYR 259 CO 0.13 -1.01 1.70 0.00 -1.11 0.00 0.00 175.55 175.27 2b35 n ALA 260 N 4.97 5.17 -0.94 3.71 0.00 -0.88 -4.62 120.51 127.93 2b35 n ALA 260 Ca -0.09 -4.47 0.01 0.00 0.00 0.00 0.00 53.44 48.89 2b35 n ALA 260 Cb 0.41 -2.78 0.01 0.00 0.00 0.00 0.00 19.45 17.09 2b35 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2b35 n ASP 261 N 3.19 0.72 0.00 0.00 5.75 -1.26 -1.99 116.55 122.96 2b35 n ASP 261 Ca 0.35 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 2b35 n ASP 261 Cb 0.36 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2b35 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b35 n GLY 262 N -0.26 0.51 1.48 6.12 0.00 -1.26 -3.27 105.19 108.50 2b35 n GLY 262 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2b35 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b35 n GLY 263 N -1.86 0.68 0.23 -0.02 0.00 -1.26 -3.10 105.19 99.86 2b35 n GLY 263 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2b35 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b35 h ALA 264 N 0.00 1.12 0.00 4.61 0.00 -1.80 -0.67 119.26 122.51 2b35 h ALA 264 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2b35 h ALA 264 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2b35 h ALA 264 CO 0.00 0.56 0.00 -2.39 0.00 0.00 0.00 179.25 177.42 2b35 n HIS 265 N -4.11 0.00 0.65 0.00 1.44 -1.26 -1.93 115.22 110.01 2b35 n HIS 265 Ca -0.01 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2b35 n HIS 265 Cb 0.42 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.39 2b35 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2b35 n THR 266 N -0.91 0.00 -5.09 0.61 -2.24 -0.26 -4.96 114.28 101.42 2b35 n THR 266 Ca 0.11 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 2b35 n THR 266 Cb 0.05 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.77 2b35 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2b35 s GLN 267 N -3.16 2.86 -0.04 -0.78 -1.52 -0.81 -5.04 119.66 111.17 2b35 s GLN 267 Ca 0.02 -0.81 -0.20 0.00 -1.95 0.00 0.00 55.36 52.42 2b35 s GLN 267 Cb 0.15 -2.19 -0.14 0.00 -0.22 0.00 0.00 33.01 30.61 2b35 s GLN 267 CO 0.88 0.15 0.87 1.25 -0.25 0.00 0.00 175.29 178.18 2b35 h LEU 268 N 6.79 -0.29 -0.99 2.90 5.85 -1.93 -3.48 115.31 124.16 2b35 h LEU 268 Ca -0.21 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2b35 h LEU 268 Cb 1.23 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2b35 h LEU 268 CO 0.48 0.20 0.00 -0.11 -0.34 0.00 0.00 178.44 178.67