#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 -0.54 0.43 3.38 0.00 -1.26 -4.97 107.32 104.35 2b35 s GLY 3 Ca 0.00 1.96 0.10 0.00 0.00 0.00 0.00 44.72 46.78 2b35 s GLY 3 CO 0.00 1.67 2.04 -2.00 0.00 0.00 0.00 173.10 174.81 2b35 h LEU 4 N 4.79 0.40 -3.30 0.66 7.12 -1.90 -2.55 115.31 120.53 2b35 h LEU 4 Ca -0.29 -0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.63 2b35 h LEU 4 Cb 1.16 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 41.14 2b35 h LEU 4 CO 0.09 0.28 -0.01 0.18 -0.13 0.00 0.00 178.44 178.84 2b35 n LEU 5 N -4.48 3.99 -4.69 2.25 4.32 0.98 -4.80 117.00 114.58 2b35 n LEU 5 Ca 0.05 -3.35 -0.42 0.00 -0.02 0.00 0.00 56.01 52.26 2b35 n LEU 5 Cb 0.16 -0.59 -0.03 0.00 -1.62 0.00 0.00 43.42 41.34 2b35 n LEU 5 CO 0.35 0.93 1.51 0.47 -1.22 0.00 0.00 177.39 179.43 2b35 n ASP 6 N -0.83 4.11 0.00 -1.43 8.00 -0.91 -1.69 116.55 123.79 2b35 n ASP 6 Ca 0.27 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2b35 n ASP 6 Cb 0.96 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2b35 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b35 n GLY 7 N 4.31 1.77 3.70 0.44 0.00 -1.20 -5.01 105.19 109.21 2b35 n GLY 7 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.65 4.35 -0.40 1.61 1.02 -0.68 -4.89 119.74 120.10 2b35 s LYS 8 Ca 0.00 0.68 -0.19 0.00 0.02 0.00 0.00 55.97 56.49 2b35 s LYS 8 Cb 0.00 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2b35 s LYS 8 CO 0.00 0.02 0.55 1.03 -0.92 0.00 0.00 175.35 176.02 2b35 s ARG 9 N 1.02 3.36 -0.13 1.68 0.52 -1.26 -0.53 118.95 123.61 2b35 s ARG 9 Ca 0.32 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 2b35 s ARG 9 Cb -0.16 -3.90 0.02 0.00 0.52 0.00 0.00 34.95 31.42 2b35 s ARG 9 CO 0.14 -0.84 -0.16 0.42 0.02 0.00 0.00 175.30 174.89 2b35 s ILE 10 N 2.50 1.60 0.28 1.52 1.01 0.07 0.11 121.20 128.29 2b35 s ILE 10 Ca 0.19 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 2b35 s ILE 10 Cb -0.15 -1.47 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 2b35 s ILE 10 CO 0.16 0.46 1.16 -0.22 0.00 0.00 0.00 174.94 176.50 2b35 s LEU 11 N 1.20 4.51 -0.05 2.97 0.20 -1.15 -1.24 118.68 125.12 2b35 s LEU 11 Ca -0.01 2.36 0.02 0.00 0.69 0.00 0.00 54.13 57.19 2b35 s LEU 11 Cb -0.14 -3.63 0.01 0.00 -0.43 0.00 0.00 46.19 42.01 2b35 s LEU 11 CO -0.06 -0.26 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.97 2b35 s VAL 12 N -1.02 0.85 0.31 1.68 1.01 0.48 -1.72 120.40 121.99 2b35 s VAL 12 Ca 0.46 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.19 2b35 s VAL 12 Cb -0.34 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2b35 s VAL 12 CO 0.43 0.29 -0.05 -0.94 0.00 0.00 0.00 175.10 174.83 2b35 s SER 13 N 0.67 3.05 0.00 3.32 1.04 -1.04 -0.38 113.70 120.36 2b35 s SER 13 Ca -0.12 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2b35 s SER 13 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2b35 s SER 13 CO 0.02 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2b35 n GLY 14 N -0.68 0.88 3.69 7.32 0.00 -1.26 -4.01 105.19 111.12 2b35 n GLY 14 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.21 2.94 0.00 -0.61 1.01 -1.26 -4.78 121.20 116.29 2b35 s ILE 15 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2b35 s ILE 15 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2b35 s ILE 15 CO 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.93 2b35 n ILE 16 N 4.84 0.00 -4.20 2.92 0.13 -1.26 -4.79 119.36 117.00 2b35 n ILE 16 Ca 0.17 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.68 2b35 n ILE 16 Cb 0.40 -0.30 -0.06 0.00 -0.84 0.00 0.00 39.64 38.85 2b35 n ILE 16 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2b35 n THR 17 N -1.99 0.00 0.98 9.51 -2.24 -1.26 -4.68 114.28 114.61 2b35 n THR 17 Ca 0.00 -1.76 0.14 0.00 -2.27 0.00 0.00 64.05 60.16 2b35 n THR 17 Cb 0.27 0.88 0.55 0.00 -2.10 0.00 0.00 70.33 69.94 2b35 n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2b35 n ASP 18 N -2.04 0.11 0.05 3.42 5.75 -1.26 -3.08 116.55 119.49 2b35 n ASP 18 Ca 0.06 0.39 0.01 0.00 -0.01 0.00 0.00 54.79 55.23 2b35 n ASP 18 Cb 0.44 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 2b35 n ASP 18 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2b35 h SER 19 N 0.00 0.00 -1.88 -1.12 0.02 -1.94 -3.46 113.55 105.17 2b35 h SER 19 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 2b35 h SER 19 Cb 0.51 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.19 2b35 h SER 19 CO 0.00 0.54 -0.55 -1.20 -1.14 0.00 0.00 176.83 174.48 2b35 n SER 20 N -2.92 -1.38 -0.30 3.07 7.64 -1.18 -4.73 113.62 113.83 2b35 n SER 20 Ca -0.08 0.95 -0.05 0.00 1.01 0.00 0.00 58.87 60.70 2b35 n SER 20 Cb 0.81 -1.02 0.08 0.00 -1.01 0.00 0.00 64.21 63.07 2b35 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2b35 h ILE 21 N 0.79 1.26 -0.77 0.44 2.04 -1.91 -2.94 117.51 116.41 2b35 h ILE 21 Ca -0.37 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 64.82 2b35 h ILE 21 Cb 1.42 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 2b35 h ILE 21 CO 0.52 0.32 0.42 0.00 0.00 0.00 0.00 178.15 179.41 2b35 h ALA 22 N 1.22 1.09 -0.90 1.87 0.00 -1.86 -1.64 119.26 119.03 2b35 h ALA 22 Ca 0.28 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2b35 h ALA 22 Cb 0.16 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2b35 h ALA 22 CO -0.03 0.03 0.59 0.35 0.00 0.00 0.00 179.25 180.20 2b35 h PHE 23 N 0.71 1.11 -0.06 0.00 3.57 -1.78 -0.60 116.94 119.89 2b35 h PHE 23 Ca 0.38 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.67 2b35 h PHE 23 Cb 0.36 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.74 2b35 h PHE 23 CO -0.08 0.67 -0.90 0.45 -2.23 0.00 0.00 178.31 176.22 2b35 h HIS 24 N 1.17 0.88 -0.37 0.41 3.86 -1.43 0.89 115.15 120.56 2b35 h HIS 24 Ca 0.35 -0.44 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2b35 h HIS 24 Cb -0.05 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 2b35 h HIS 24 CO -0.00 1.26 0.22 0.82 0.86 0.00 0.00 177.93 181.09 2b35 h ILE 25 N 0.38 1.12 -0.57 2.45 2.04 -0.87 0.73 117.51 122.81 2b35 h ILE 25 Ca -0.08 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2b35 h ILE 25 Cb 1.53 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2b35 h ILE 25 CO 0.17 0.12 0.26 0.00 0.00 0.00 0.00 178.15 178.70 2b35 h ALA 26 N 1.10 0.73 -0.13 1.87 0.00 -1.13 0.80 119.26 122.49 2b35 h ALA 26 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2b35 h ALA 26 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2b35 h ALA 26 CO -0.03 0.31 -0.08 -0.09 0.00 0.00 0.00 179.25 179.36 2b35 h ARG 27 N 0.77 -0.08 -0.15 0.00 2.43 -0.22 -1.65 114.38 115.48 2b35 h ARG 27 Ca 0.19 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2b35 h ARG 27 Cb 0.15 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2b35 h ARG 27 CO -0.02 -0.05 -0.13 0.28 -1.51 0.00 0.00 179.97 178.53 2b35 h VAL 28 N -0.08 1.34 -0.73 0.20 2.07 0.58 -2.70 116.25 116.93 2b35 h VAL 28 Ca 0.08 -1.27 0.13 0.00 0.82 0.00 0.00 66.70 66.47 2b35 h VAL 28 Cb 0.20 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 2b35 h VAL 28 CO -0.19 0.37 0.28 0.00 0.02 0.00 0.00 177.57 178.06 2b35 h ALA 29 N 0.62 1.00 -0.43 1.67 0.00 -0.83 -0.59 119.26 120.71 2b35 h ALA 29 Ca 0.03 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2b35 h ALA 29 Cb 0.65 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2b35 h ALA 29 CO 0.03 -0.21 0.01 1.96 0.00 0.00 0.00 179.25 181.05 2b35 h GLN 30 N 0.43 0.75 -0.63 0.00 4.20 -1.24 -1.73 115.11 116.90 2b35 h GLN 30 Ca 0.39 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 58.95 2b35 h GLN 30 Cb 0.58 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 2b35 h GLN 30 CO -0.39 0.82 0.42 0.93 -0.67 0.00 0.00 178.83 179.93 2b35 h GLU 31 N 0.59 0.53 -0.65 1.46 5.08 -1.06 -1.09 114.58 119.46 2b35 h GLU 31 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2b35 h GLU 31 Cb 0.47 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2b35 h GLU 31 CO 0.02 0.35 0.00 1.04 -1.00 0.00 0.00 179.01 179.42 2b35 n GLN 32 N -4.48 2.76 -1.11 2.33 1.13 -0.29 -4.94 117.38 112.79 2b35 n GLN 32 Ca 0.10 -1.67 0.00 0.00 -1.94 0.00 0.00 57.00 53.49 2b35 n GLN 32 Cb 0.29 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 0.63 0.81 3.88 1.08 0.00 -0.41 -0.01 105.19 111.15 2b35 n GLY 33 Ca 0.15 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 3.70 -0.34 4.61 0.00 -0.70 -3.21 121.76 123.82 2b35 s ALA 34 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 2b35 s ALA 34 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2b35 s ALA 34 CO 0.00 0.58 0.43 -1.14 0.00 0.00 0.00 175.76 175.63 2b35 s GLN 35 N -2.34 3.63 0.31 0.00 0.74 0.32 -4.49 119.66 117.82 2b35 s GLN 35 Ca 0.39 -0.26 0.02 0.00 0.05 0.00 0.00 55.36 55.56 2b35 s GLN 35 Cb -0.13 -3.79 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2b35 s GLN 35 CO 0.21 -0.55 0.49 -0.51 -0.55 0.00 0.00 175.29 174.37 2b35 s LEU 36 N 2.19 4.11 -0.13 3.68 1.43 -1.26 -0.75 118.68 127.96 2b35 s LEU 36 Ca 0.15 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2b35 s LEU 36 Cb -0.16 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.93 2b35 s LEU 36 CO 0.12 -0.22 -0.04 -0.69 0.23 0.00 0.00 176.35 175.75 2b35 s VAL 37 N -2.20 0.83 0.20 -1.59 1.01 -0.37 -4.34 120.40 113.94 2b35 s VAL 37 Ca 0.38 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2b35 s VAL 37 Cb -0.09 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2b35 s VAL 37 CO 0.34 0.21 0.37 -0.76 0.00 0.00 0.00 175.10 175.26 2b35 s LEU 38 N 1.77 4.25 0.28 3.92 1.43 -0.56 0.18 118.68 129.95 2b35 s LEU 38 Ca 0.03 0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 2b35 s LEU 38 Cb -0.14 -3.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 2b35 s LEU 38 CO -0.07 -0.04 -0.07 0.42 0.23 0.00 0.00 176.35 176.82 2b35 s THR 39 N -1.88 1.70 0.11 5.49 -4.23 0.49 -1.31 115.64 116.00 2b35 s THR 39 Ca 0.37 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2b35 s THR 39 Cb -0.11 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2b35 s THR 39 CO 0.29 -0.31 0.04 -0.83 -0.54 0.00 0.00 174.62 173.28 2b35 s GLY 40 N -3.45 0.79 -0.05 3.99 0.00 0.26 -4.33 107.32 104.54 2b35 s GLY 40 Ca 0.29 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 2b35 s GLY 40 CO 0.12 -1.32 -0.16 0.33 0.00 0.00 0.00 173.10 172.07 2b35 n PHE 41 N -0.03 0.00 0.00 1.90 7.35 -1.23 0.27 117.46 125.71 2b35 n PHE 41 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2b35 n PHE 41 Cb 0.63 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 40.23 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 -3.65 2.15 -2.56 -2.13 2.03 -1.26 -4.64 116.55 106.49 2b35 n ASP 42 Ca -0.06 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.90 2b35 n ASP 42 Cb 0.23 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.68 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 -2.08 2.90 -0.31 -0.67 1.74 -1.26 -4.83 116.66 112.14 2b35 n ARG 43 Ca 0.00 -3.62 -0.01 0.00 -0.77 0.00 0.00 57.85 53.45 2b35 n ARG 43 Cb 0.28 -2.28 0.05 0.00 -1.02 0.00 0.00 32.46 29.49 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 2.50 -1.20 -0.69 0.55 3.38 -1.95 0.52 115.31 118.42 2b35 h LEU 44 Ca 0.53 0.28 0.15 0.00 0.09 0.00 0.00 57.88 58.93 2b35 h LEU 44 Cb 0.57 0.65 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 2b35 h LEU 44 CO 1.36 -0.29 0.09 0.03 0.09 0.00 0.00 178.44 179.72 2b35 h ARG 45 N -0.05 0.19 -0.49 1.13 3.08 -2.00 0.42 114.38 116.65 2b35 h ARG 45 Ca 0.33 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 2b35 h ARG 45 Cb 0.60 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2b35 h ARG 45 CO -0.88 0.12 -0.15 1.25 -1.07 0.00 0.00 179.97 179.24 2b35 h LEU 46 N 0.19 0.99 0.00 3.04 6.46 -0.42 -3.16 115.31 122.41 2b35 h LEU 46 Ca 0.38 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2b35 h LEU 46 Cb 0.64 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2b35 h LEU 46 CO -0.53 1.14 -0.35 0.16 -0.62 0.00 0.00 178.44 178.24 2b35 h ILE 47 N 0.84 0.00 -0.60 4.05 3.07 -0.51 -2.57 117.51 121.78 2b35 h ILE 47 Ca 0.12 -0.66 0.04 0.00 1.55 0.00 0.00 64.86 65.91 2b35 h ILE 47 Cb 0.72 1.45 -0.04 0.00 -0.27 0.00 0.00 36.82 38.68 2b35 h ILE 47 CO 0.06 0.00 0.35 1.56 -1.05 0.00 0.00 178.15 179.06 2b35 h GLN 48 N 0.00 0.65 -0.10 0.16 1.08 -0.17 0.14 115.11 116.88 2b35 h GLN 48 Ca 0.00 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 2b35 h GLN 48 Cb 0.83 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2b35 h GLN 48 CO 0.00 0.43 -0.41 -0.09 -0.95 0.00 0.00 178.83 177.81 2b35 h ARG 49 N 0.67 0.23 0.04 1.46 2.43 -1.44 -1.84 114.38 115.94 2b35 h ARG 49 Ca 0.25 -0.11 -0.24 0.00 -0.81 0.00 0.00 59.98 59.07 2b35 h ARG 49 Cb 0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2b35 h ARG 49 CO -0.13 0.61 -1.03 0.82 -1.51 0.00 0.00 179.97 178.73 2b35 h ILE 50 N 0.19 1.42 0.00 1.20 1.08 -1.36 -3.20 117.51 116.85 2b35 h ILE 50 Ca 0.02 -2.61 -0.09 0.00 -0.39 0.00 0.00 64.86 61.79 2b35 h ILE 50 Cb 0.82 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 2b35 h ILE 50 CO 0.06 0.77 -0.41 0.71 -0.69 0.00 0.00 178.15 178.60 2b35 h THR 51 N 0.19 1.23 0.00 -0.27 1.35 -0.59 -1.88 112.91 112.94 2b35 h THR 51 Ca -0.10 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.31 2b35 h THR 51 Cb 1.69 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.90 2b35 h THR 51 CO 0.18 0.40 -0.04 0.44 -0.25 0.00 0.00 175.52 176.25 2b35 h ASP 52 N 0.00 0.00 0.00 5.36 3.45 -1.33 -1.95 116.42 121.95 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 0.76 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 2b35 h ASP 52 CO 0.05 0.04 0.00 0.54 -1.57 0.00 0.00 179.24 178.30 2b35 n ARG 53 N -4.12 0.88 -1.83 3.56 1.74 -0.70 -4.84 116.66 111.34 2b35 n ARG 53 Ca -0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 2b35 n ARG 53 Cb 0.12 -1.33 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.65 3.13 0.07 0.55 1.43 -0.74 -5.02 118.68 116.45 2b35 s LEU 54 Ca 0.27 1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 54.56 2b35 s LEU 54 Cb 0.13 -4.35 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 2b35 s LEU 54 CO 0.21 -1.06 1.32 -0.65 0.23 0.00 0.00 176.35 176.40 2b35 h PRO 55 N -0.45 -0.26 -5.98 1.29 0.11 -1.89 -3.45 132.00 121.36 2b35 h PRO 55 Ca -0.44 0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.14 2b35 h PRO 55 Cb 1.21 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 2b35 h PRO 55 CO 0.62 -0.17 -0.45 0.00 -0.21 0.00 0.00 178.00 177.79 2b35 s ALA 56 N -4.82 3.79 -0.13 -0.75 0.00 -1.26 -5.13 121.76 113.46 2b35 s ALA 56 Ca -0.09 -1.98 -0.07 0.00 0.00 0.00 0.00 51.96 49.82 2b35 s ALA 56 Cb 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2b35 s ALA 56 CO 0.35 -0.20 0.14 -1.59 0.00 0.00 0.00 175.76 174.46 2b35 s LYS 57 N -4.00 3.50 0.03 0.00 -2.85 -1.26 -4.99 119.74 110.17 2b35 s LYS 57 Ca 0.43 -0.14 -0.00 0.00 -1.00 0.00 0.00 55.97 55.26 2b35 s LYS 57 Cb 0.01 -3.21 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 2b35 s LYS 57 CO 0.24 0.74 -0.03 0.00 0.10 0.00 0.00 175.35 176.40 2b35 s ALA 58 N -0.92 0.31 0.26 0.59 0.00 -1.26 -4.92 121.76 115.82 2b35 s ALA 58 Ca 0.14 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2b35 s ALA 58 Cb -0.12 0.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 2b35 s ALA 58 CO 0.04 -0.23 1.43 -2.14 0.00 0.00 0.00 175.76 174.86 2b35 s PRO 59 N -2.43 4.26 -0.46 0.00 0.02 -1.26 -4.85 135.00 130.28 2b35 s PRO 59 Ca -0.07 2.31 -0.03 0.00 0.02 0.00 0.00 61.00 63.23 2b35 s PRO 59 Cb -0.03 -3.10 0.12 0.00 0.02 0.00 0.00 34.50 31.51 2b35 s PRO 59 CO -0.04 -0.41 0.27 -1.17 -0.33 0.00 0.00 177.00 175.31 2b35 s LEU 60 N -0.58 5.30 0.32 -5.54 1.98 -1.26 -1.50 118.68 117.40 2b35 s LEU 60 Ca 0.58 -2.19 -0.03 0.00 -2.89 0.00 0.00 54.13 49.61 2b35 s LEU 60 Cb -0.42 -1.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.53 2b35 s LEU 60 CO 0.45 -0.52 0.56 -0.76 -1.89 0.00 0.00 176.35 174.19 2b35 s LEU 61 N 0.92 4.02 -0.01 -0.68 1.43 -0.42 -4.88 118.68 119.06 2b35 s LEU 61 Ca 0.10 0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 2b35 s LEU 61 Cb -0.23 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2b35 s LEU 61 CO -0.04 -0.25 0.68 -0.70 0.23 0.00 0.00 176.35 176.27 2b35 s GLU 62 N -3.92 4.41 -0.25 1.70 2.12 -1.26 -0.57 118.70 120.93 2b35 s GLU 62 Ca 0.42 0.88 -0.02 0.00 0.36 0.00 0.00 54.97 56.61 2b35 s GLU 62 Cb -0.10 -3.38 0.13 0.00 0.26 0.00 0.00 34.13 31.04 2b35 s GLU 62 CO 0.33 0.26 0.35 -1.17 -0.54 0.00 0.00 175.26 174.49 2b35 s LEU 63 N 0.13 -0.53 -0.45 2.70 2.96 0.77 -4.82 118.68 119.44 2b35 s LEU 63 Ca 0.35 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2b35 s LEU 63 Cb -0.19 0.93 0.12 0.00 0.50 0.00 0.00 46.19 47.55 2b35 s LEU 63 CO 0.19 -0.32 0.19 -0.62 -1.32 0.00 0.00 176.35 174.47 2b35 s ASP 64 N 2.49 4.61 0.00 3.68 2.15 -1.26 -3.54 116.67 124.79 2b35 s ASP 64 Ca 0.11 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 50.46 2b35 s ASP 64 Cb -0.15 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 2b35 s ASP 64 CO -0.19 -0.31 0.75 1.33 -0.17 0.00 0.00 175.17 176.57 2b35 n VAL 65 N 3.65 1.00 1.05 1.11 0.24 -1.26 0.62 118.33 124.74 2b35 n VAL 65 Ca 0.04 0.49 0.12 0.00 -2.04 0.00 0.00 64.34 62.96 2b35 n VAL 65 Cb 0.37 -1.49 0.25 0.00 -1.47 0.00 0.00 33.84 31.49 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 -1.25 0.21 -3.41 7.34 6.02 -1.26 -4.83 117.38 120.20 2b35 n GLN 66 Ca 0.00 -0.13 -0.38 0.00 -0.01 0.00 0.00 57.00 56.48 2b35 n GLN 66 Cb 0.24 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.88 6.41 0.15 1.08 3.04 0.20 -4.99 114.94 117.95 2b35 s ASN 67 Ca 0.14 0.48 0.03 0.00 0.04 0.00 0.00 52.86 53.55 2b35 s ASN 67 Cb 0.18 -2.22 -0.06 0.00 -1.54 0.00 0.00 41.25 37.61 2b35 s ASN 67 CO 0.67 -0.07 1.34 -0.08 -3.04 0.00 0.00 177.10 175.92 2b35 h GLU 68 N 7.40 0.15 -0.04 0.43 4.57 -1.88 -3.23 114.58 121.98 2b35 h GLU 68 Ca -0.36 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.50 2b35 h GLU 68 Cb 1.16 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2b35 h GLU 68 CO 0.71 0.97 -0.59 0.93 -1.18 0.00 0.00 179.01 179.86 2b35 h GLU 69 N 0.07 0.13 -0.30 1.92 5.08 -1.94 -2.15 114.58 117.39 2b35 h GLU 69 Ca -0.05 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2b35 h GLU 69 Cb 1.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 2b35 h GLU 69 CO 0.14 0.68 0.10 0.45 -1.00 0.00 0.00 179.01 179.38 2b35 h HIS 70 N 0.10 0.48 -0.86 4.33 3.86 -1.88 -2.15 115.15 119.02 2b35 h HIS 70 Ca -0.00 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2b35 h HIS 70 Cb 1.06 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.35 2b35 h HIS 70 CO 0.01 0.49 0.48 -0.07 0.86 0.00 0.00 177.93 179.70 2b35 h LEU 71 N 0.33 1.08 -0.52 2.43 4.07 -1.57 0.36 115.31 121.49 2b35 h LEU 71 Ca 0.10 -0.10 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2b35 h LEU 71 Cb 0.24 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 2b35 h LEU 71 CO -0.00 0.87 -0.73 0.00 -1.08 0.00 0.00 178.44 177.49 2b35 h ALA 72 N 1.26 0.76 0.00 1.53 0.00 -1.32 -3.18 119.26 118.31 2b35 h ALA 72 Ca 0.30 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2b35 h ALA 72 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2b35 h ALA 72 CO -0.05 0.88 -0.80 -1.13 0.00 0.00 0.00 179.25 178.16 2b35 n SER 73 N -3.70 0.63 -0.33 0.00 3.41 -0.81 -4.56 113.62 108.26 2b35 n SER 73 Ca -0.01 -0.15 -0.04 0.00 -0.26 0.00 0.00 58.87 58.40 2b35 n SER 73 Cb 0.71 0.51 0.08 0.00 -0.26 0.00 0.00 64.21 65.25 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 0.00 1.11 0.19 1.04 6.46 -0.90 -0.65 115.31 122.57 2b35 h LEU 74 Ca 0.00 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2b35 h LEU 74 Cb 0.68 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2b35 h LEU 74 CO 0.00 0.90 -0.09 0.00 -0.62 0.00 0.00 178.44 178.62 2b35 h ALA 75 N 1.26 -0.26 -0.17 1.25 0.00 -1.79 -1.77 119.26 117.78 2b35 h ALA 75 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2b35 h ALA 75 Cb 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2b35 h ALA 75 CO -0.05 -0.56 0.05 0.78 0.00 0.00 0.00 179.25 179.47 2b35 h GLY 76 N -0.43 0.26 1.00 0.00 0.00 -1.83 -1.83 103.07 100.24 2b35 h GLY 76 Ca -0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 2b35 h GLY 76 CO 0.04 0.11 -0.11 3.21 0.00 0.00 0.00 176.54 179.79 2b35 h ARG 77 N 0.24 0.82 -0.35 4.80 3.08 -0.77 -2.32 114.38 119.87 2b35 h ARG 77 Ca 0.06 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 2b35 h ARG 77 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2b35 h ARG 77 CO -0.00 0.94 -0.06 0.28 -1.07 0.00 0.00 179.97 180.05 2b35 h VAL 78 N 0.64 1.27 0.00 2.04 2.07 -1.02 -2.77 116.25 118.48 2b35 h VAL 78 Ca 0.11 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2b35 h VAL 78 Cb 0.65 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2b35 h VAL 78 CO 0.04 0.36 -0.02 0.74 0.02 0.00 0.00 177.57 178.72 2b35 h THR 79 N 0.45 0.13 0.00 2.57 2.02 -1.36 -1.51 112.91 115.21 2b35 h THR 79 Ca 0.09 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.83 2b35 h THR 79 Cb 0.56 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2b35 h THR 79 CO 0.03 0.02 -0.98 -0.08 0.37 0.00 0.00 175.52 174.89 2b35 h GLU 80 N 0.00 0.00 0.08 6.66 4.22 -1.14 -2.93 114.58 121.47 2b35 h GLU 80 Ca -0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 2b35 h GLU 80 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2b35 h GLU 80 CO 0.00 0.97 -0.50 0.00 -2.18 0.00 0.00 179.01 177.30 2b35 h ALA 81 N 1.03 -0.05 -0.01 2.92 0.00 -1.20 -3.37 119.26 118.57 2b35 h ALA 81 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2b35 h ALA 81 Cb 1.75 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2b35 h ALA 81 CO 0.13 0.23 -0.06 0.44 0.00 0.00 0.00 179.25 179.99 2b35 n ILE 82 N -4.31 0.00 0.00 0.00 -5.35 -0.63 -5.01 119.36 104.06 2b35 n ILE 82 Ca -0.12 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2b35 n ILE 82 Cb 0.68 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 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 1.22 -0.31 3.78 3.28 0.00 -1.13 -4.79 105.19 107.25 2b35 n GLY 83 Ca 0.17 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.66 3.03 0.00 4.61 0.00 -1.12 -2.68 121.76 124.95 2b35 s ALA 84 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2b35 s ALA 84 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 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 0.24 3.02 3.85 0.00 0.00 -1.26 -5.06 105.19 105.98 2b35 n GLY 85 Ca 0.06 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 0.11 6.80 0.19 1.61 0.01 -1.09 -5.10 114.94 117.47 2b35 s ASN 86 Ca 0.00 1.13 0.09 0.00 -0.71 0.00 0.00 52.86 53.37 2b35 s ASN 86 Cb 0.00 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 2b35 s ASN 86 CO 0.00 -0.01 -0.18 -0.54 -1.51 0.00 0.00 177.10 174.85 2b35 s LYS 87 N -2.38 1.36 0.35 -0.60 1.02 -1.26 -4.89 119.74 113.33 2b35 s LYS 87 Ca 0.44 -1.50 -0.27 0.00 0.02 0.00 0.00 55.97 54.66 2b35 s LYS 87 Cb -0.13 -1.39 -0.09 0.00 -0.52 0.00 0.00 37.83 35.69 2b35 s LYS 87 CO 0.20 0.27 1.17 -0.51 -0.92 0.00 0.00 175.35 175.56 2b35 s LEU 88 N -2.89 4.34 -0.17 3.17 1.43 0.13 -4.68 118.68 120.01 2b35 s LEU 88 Ca 0.19 2.38 0.11 0.00 -1.03 0.00 0.00 54.13 55.78 2b35 s LEU 88 Cb -0.05 -3.84 -0.18 0.00 0.03 0.00 0.00 46.19 42.15 2b35 s LEU 88 CO 0.08 -0.49 -0.01 0.47 0.23 0.00 0.00 176.35 176.63 2b35 n ASP 89 N 0.53 1.43 -4.51 2.29 8.00 0.30 -0.26 116.55 124.34 2b35 n ASP 89 Ca 0.02 -0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.24 2b35 n ASP 89 Cb 0.45 0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 41.99 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 -5.27 2.31 -0.24 0.44 0.00 -0.97 -1.22 107.32 102.38 2b35 s GLY 90 Ca -0.14 -2.01 -0.12 0.00 0.00 0.00 0.00 44.72 42.45 2b35 s GLY 90 CO 0.61 -1.94 0.56 0.14 0.00 0.00 0.00 173.10 172.47 2b35 s VAL 91 N -3.07 -0.16 -0.22 1.40 1.01 -0.92 -2.94 120.40 115.50 2b35 s VAL 91 Ca 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2b35 s VAL 91 Cb 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2b35 s VAL 91 CO 0.16 0.02 -0.09 -0.69 0.00 0.00 0.00 175.10 174.49 2b35 s VAL 92 N 1.76 2.82 -0.46 2.92 1.01 -0.70 -1.03 120.40 126.72 2b35 s VAL 92 Ca -0.09 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2b35 s VAL 92 Cb -0.08 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 34.04 2b35 s VAL 92 CO -0.17 0.37 0.39 -2.28 0.00 0.00 0.00 175.10 173.41 2b35 s HIS 93 N 1.37 3.22 -0.32 5.22 2.46 0.17 -2.49 115.29 124.92 2b35 s HIS 93 Ca 0.03 -0.77 0.14 0.00 0.47 0.00 0.00 55.06 54.93 2b35 s HIS 93 Cb -0.15 -3.03 0.47 0.00 -0.13 0.00 0.00 32.58 29.74 2b35 s HIS 93 CO -0.06 -0.76 1.10 0.45 -2.47 0.00 0.00 174.74 173.00 2b35 n SER 94 N 5.30 3.11 -4.66 9.88 2.88 -1.26 -1.58 113.62 127.29 2b35 n SER 94 Ca -0.11 -3.00 -0.35 0.00 -1.33 0.00 0.00 58.87 54.08 2b35 n SER 94 Cb 0.45 -0.45 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 -4.23 4.32 -0.01 2.46 1.01 -1.26 -4.15 121.20 119.33 2b35 s ILE 95 Ca 0.38 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2b35 s ILE 95 Cb 0.39 -2.83 0.08 0.00 0.01 0.00 0.00 42.46 40.11 2b35 s ILE 95 CO -0.03 0.58 0.74 -0.83 0.00 0.00 0.00 174.94 175.40 2b35 s GLY 96 N -0.64 -0.52 -0.28 6.18 0.00 -1.26 -4.77 107.32 106.02 2b35 s GLY 96 Ca 0.10 1.20 -0.24 0.00 0.00 0.00 0.00 44.72 45.78 2b35 s GLY 96 CO 0.02 0.69 1.01 -0.12 0.00 0.00 0.00 173.10 174.70 2b35 s PHE 97 N -2.05 -0.51 -0.00 1.90 5.36 -1.26 -4.96 117.98 116.45 2b35 s PHE 97 Ca -0.04 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.16 2b35 s PHE 97 Cb -0.00 0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 43.03 2b35 s PHE 97 CO 0.00 -0.25 -0.11 1.41 -1.46 0.00 0.00 175.22 174.82 2b35 s MET 98 N 0.38 0.86 0.51 10.12 -2.45 -1.26 -4.13 119.30 123.33 2b35 s MET 98 Ca 0.01 -0.43 -0.23 0.00 -1.25 0.00 0.00 55.69 53.79 2b35 s MET 98 Cb -0.05 -0.83 -0.06 0.00 1.25 0.00 0.00 34.83 35.14 2b35 s MET 98 CO -0.07 0.22 1.40 -2.14 1.05 0.00 0.00 175.02 175.48 2b35 s PRO 99 N -0.38 3.34 0.18 4.11 0.02 -1.26 -4.87 135.00 136.13 2b35 s PRO 99 Ca 0.03 2.33 0.12 0.00 0.02 0.00 0.00 61.00 63.50 2b35 s PRO 99 Cb -0.05 -2.41 0.63 0.00 0.02 0.00 0.00 34.50 32.69 2b35 s PRO 99 CO -0.00 -1.06 1.34 1.04 -0.33 0.00 0.00 177.00 177.98 2b35 n GLN 100 N -0.71 0.08 0.13 5.54 1.13 -1.26 -1.62 117.38 120.66 2b35 n GLN 100 Ca 0.08 0.56 0.03 0.00 -1.94 0.00 0.00 57.00 55.73 2b35 n GLN 100 Cb 0.43 -1.79 0.41 0.00 0.11 0.00 0.00 30.24 29.41 2b35 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b35 h THR 101 N 0.00 1.17 -1.87 5.09 1.03 -1.97 -3.23 112.91 113.13 2b35 h THR 101 Ca 0.00 -0.73 -0.61 0.00 -0.01 0.00 0.00 66.41 65.06 2b35 h THR 101 Cb 0.07 1.20 -0.40 0.00 -1.07 0.00 0.00 68.15 67.95 2b35 h THR 101 CO 0.00 0.23 -0.49 0.61 -0.01 0.00 0.00 175.52 175.86 2b35 n GLY 102 N -0.92 5.84 3.28 2.99 0.00 -0.64 -4.21 105.19 111.53 2b35 n GLY 102 Ca -0.01 -2.75 0.03 0.00 0.00 0.00 0.00 46.02 43.29 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 -3.59 0.12 3.49 1.61 1.00 -1.22 -1.11 119.30 119.59 2b35 s MET 103 Ca 0.48 0.29 0.00 0.00 0.00 0.00 0.00 55.69 56.46 2b35 s MET 103 Cb 0.35 0.16 0.00 0.00 0.00 0.00 0.00 34.83 35.34 2b35 s MET 103 CO -0.18 -0.04 0.00 0.41 0.00 0.00 0.00 175.02 175.21 2b35 n GLY 104 N 4.58 1.37 0.18 -0.03 0.00 0.53 -4.04 105.19 107.78 2b35 n GLY 104 Ca -0.08 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -3.26 -0.61 6.09 -1.89 -3.36 117.51 114.48 2b35 h ILE 105 Ca 0.00 -0.82 -0.54 0.00 -1.37 0.00 0.00 64.86 62.13 2b35 h ILE 105 Cb 0.00 1.79 -0.02 0.00 0.47 0.00 0.00 36.82 39.07 2b35 h ILE 105 CO 0.00 0.00 0.52 0.21 -3.07 0.00 0.00 178.15 175.81 2b35 s ASN 106 N -5.59 7.21 0.39 2.19 2.47 -1.26 -4.98 114.94 115.38 2b35 s ASN 106 Ca 0.08 1.76 -0.26 0.00 0.42 0.00 0.00 52.86 54.86 2b35 s ASN 106 Cb 0.08 -2.57 -0.11 0.00 -1.45 0.00 0.00 41.25 37.20 2b35 s ASN 106 CO 0.65 -0.41 1.21 -2.65 -3.72 0.00 0.00 177.10 172.18 2b35 n PRO 107 N 4.34 1.84 -0.33 0.43 -0.02 -1.26 -4.50 135.00 135.49 2b35 n PRO 107 Ca 0.08 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 2b35 n PRO 107 Cb 0.48 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.10 1.09 0.00 6.00 3.57 -1.93 -1.58 116.94 126.19 2b35 h PHE 108 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2b35 h PHE 108 Cb 1.30 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2b35 h PHE 108 CO 0.48 0.65 0.00 0.74 -2.23 0.00 0.00 178.31 177.95 2b35 h PHE 109 N 1.15 0.00 0.00 0.41 0.04 -1.96 -3.26 116.94 113.31 2b35 h PHE 109 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 2b35 h PHE 109 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2b35 h PHE 109 CO -0.01 0.00 -0.02 -0.25 -0.60 0.00 0.00 178.31 177.42 2b35 n ASP 110 N -2.99 0.32 -4.66 2.17 8.00 -0.59 -4.77 116.55 114.02 2b35 n ASP 110 Ca 0.02 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.60 2b35 n ASP 110 Cb 0.40 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.04 3.63 0.65 2.24 0.00 -1.23 -5.02 121.76 119.00 2b35 s ALA 111 Ca 0.13 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2b35 s ALA 111 Cb 0.16 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2b35 s ALA 111 CO 0.56 -1.21 1.04 -1.25 0.00 0.00 0.00 175.76 174.91 2b35 s PRO 112 N 3.52 3.30 0.27 0.00 0.04 -1.26 -4.93 135.00 135.94 2b35 s PRO 112 Ca 0.62 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.52 2b35 s PRO 112 Cb -0.27 -2.04 0.39 0.00 0.04 0.00 0.00 34.50 32.62 2b35 s PRO 112 CO 0.21 -0.81 1.69 -0.92 0.04 0.00 0.00 177.00 177.21 2b35 h TYR 113 N -0.50 0.48 0.00 0.56 3.20 -1.98 -2.77 116.97 115.96 2b35 h TYR 113 Ca -0.44 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.31 2b35 h TYR 113 Cb 1.20 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 2b35 h TYR 113 CO 0.64 0.70 -0.02 0.00 -1.64 0.00 0.00 178.16 177.84 2b35 h ALA 114 N 1.29 1.53 0.00 1.82 0.00 -1.97 0.84 119.26 122.78 2b35 h ALA 114 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2b35 h ALA 114 Cb 0.76 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2b35 h ALA 114 CO 0.06 0.03 -0.16 -0.44 0.00 0.00 0.00 179.25 178.74 2b35 h ASP 115 N 0.00 0.00 -0.97 0.00 3.45 -1.89 -3.10 116.42 113.91 2b35 h ASP 115 Ca -0.00 -0.86 0.02 0.00 0.43 0.00 0.00 57.03 56.62 2b35 h ASP 115 Cb 0.06 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.78 2b35 h ASP 115 CO 0.00 1.02 0.64 0.58 -1.57 0.00 0.00 179.24 179.91 2b35 h VAL 116 N -1.00 1.23 0.00 -1.35 2.07 -1.26 -1.75 116.25 114.19 2b35 h VAL 116 Ca -0.04 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2b35 h VAL 116 Cb 0.96 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2b35 h VAL 116 CO -0.03 0.24 -0.52 -1.28 0.02 0.00 0.00 177.57 176.00 2b35 h SER 117 N 1.30 0.00 -0.33 0.57 0.87 0.53 -0.22 113.55 116.26 2b35 h SER 117 Ca 0.36 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2b35 h SER 117 Cb -0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2b35 h SER 117 CO -0.09 0.52 -0.29 0.50 -0.53 0.00 0.00 176.83 176.94 2b35 h LYS 118 N 0.00 0.79 -0.13 2.24 3.64 -1.35 -1.27 116.57 120.50 2b35 h LYS 118 Ca -0.01 -0.40 -0.12 0.00 -1.27 0.00 0.00 60.65 58.86 2b35 h LYS 118 Cb 0.93 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2b35 h LYS 118 CO 0.07 1.03 -0.44 0.78 -2.27 0.00 0.00 179.45 178.62 2b35 h GLY 119 N 0.57 0.33 1.36 5.01 0.00 -0.82 -2.18 103.07 107.33 2b35 h GLY 119 Ca 0.06 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2b35 h GLY 119 CO 0.07 0.30 -0.40 -2.22 0.00 0.00 0.00 176.54 174.29 2b35 h ILE 120 N 0.25 1.29 0.17 2.60 2.04 -1.05 0.14 117.51 122.95 2b35 h ILE 120 Ca 0.02 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.31 2b35 h ILE 120 Cb 0.87 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2b35 h ILE 120 CO 0.07 0.51 -0.32 -0.74 0.00 0.00 0.00 178.15 177.67 2b35 h HIS 121 N 0.57 -0.88 -0.06 1.37 2.76 -0.94 0.45 115.15 118.43 2b35 h HIS 121 Ca 0.05 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.08 2b35 h HIS 121 Cb 0.94 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 2b35 h HIS 121 CO 0.05 -0.44 -0.65 0.82 -1.30 0.00 0.00 177.93 176.41 2b35 h ILE 122 N -0.58 1.40 0.01 6.26 2.04 -1.43 -2.08 117.51 123.13 2b35 h ILE 122 Ca 0.02 -2.08 -0.36 0.00 1.00 0.00 0.00 64.86 63.45 2b35 h ILE 122 Cb 0.59 2.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 2b35 h ILE 122 CO -0.16 0.61 -2.23 -1.20 0.00 0.00 0.00 178.15 175.18 2b35 n SER 123 N -3.84 0.61 -0.00 1.72 7.64 0.03 -4.48 113.62 115.30 2b35 n SER 123 Ca -0.03 0.08 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 2b35 n SER 123 Cb 0.65 0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 64.29 2b35 n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b35 n ALA 124 N -2.80 1.91 -0.25 -0.43 0.00 0.02 -4.81 120.51 114.16 2b35 n ALA 124 Ca -0.31 -0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.13 2b35 n ALA 124 Cb 1.10 0.04 0.45 0.00 0.00 0.00 0.00 19.45 21.05 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 -0.10 0.66 -0.38 0.00 5.03 -1.28 -2.12 116.97 118.79 2b35 h TYR 125 Ca 0.00 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.42 2b35 h TYR 125 Cb 0.10 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.15 2b35 h TYR 125 CO -0.04 0.21 0.27 0.66 -1.32 0.00 0.00 178.16 177.93 2b35 h SER 126 N 0.52 0.09 -0.71 -2.11 4.64 -1.59 -1.92 113.55 112.48 2b35 h SER 126 Ca 0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 2b35 h SER 126 Cb 0.95 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2b35 h SER 126 CO -0.19 0.06 0.33 0.22 -0.87 0.00 0.00 176.83 176.37 2b35 h TYR 127 N 0.10 1.05 0.35 4.77 3.20 -1.69 0.36 116.97 125.11 2b35 h TYR 127 Ca 0.18 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2b35 h TYR 127 Cb 0.57 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2b35 h TYR 127 CO -0.00 0.78 -0.17 0.00 -1.64 0.00 0.00 178.16 177.13 2b35 h ALA 128 N 1.32 -0.47 -0.47 1.82 0.00 -1.53 -2.39 119.26 117.54 2b35 h ALA 128 Ca 0.25 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2b35 h ALA 128 Cb 0.14 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2b35 h ALA 128 CO -0.03 -0.62 0.15 0.66 0.00 0.00 0.00 179.25 179.42 2b35 h SER 129 N -0.77 0.14 -0.93 0.00 4.64 -1.19 0.36 113.55 115.79 2b35 h SER 129 Ca -0.05 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2b35 h SER 129 Cb 0.51 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 2b35 h SER 129 CO 0.08 0.11 0.61 0.24 -0.87 0.00 0.00 176.83 177.00 2b35 h MET 130 N 0.32 1.19 -0.54 4.77 2.07 -0.40 -1.56 114.93 120.78 2b35 h MET 130 Ca 0.22 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.73 2b35 h MET 130 Cb 0.24 -0.27 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 2b35 h MET 130 CO -0.24 0.78 0.13 0.00 1.07 0.00 0.00 176.91 178.66 2b35 h ALA 131 N 1.36 0.71 -0.60 6.32 0.00 -0.68 -2.05 119.26 124.32 2b35 h ALA 131 Ca 0.36 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2b35 h ALA 131 Cb -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2b35 h ALA 131 CO -0.10 0.41 0.40 -0.22 0.00 0.00 0.00 179.25 179.75 2b35 h LYS 132 N 0.76 0.43 0.05 0.00 3.64 0.24 -1.77 116.57 119.93 2b35 h LYS 132 Ca 0.17 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.25 2b35 h LYS 132 Cb 0.34 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2b35 h LYS 132 CO 0.00 0.29 -1.45 0.00 -2.27 0.00 0.00 179.45 176.02 2b35 h ALA 133 N 1.69 0.44 0.00 5.00 0.00 -0.73 -3.40 119.26 122.26 2b35 h ALA 133 Ca 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2b35 h ALA 133 Cb 0.50 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2b35 h ALA 133 CO -0.08 1.30 -1.52 1.28 0.00 0.00 0.00 179.25 180.23 2b35 n LEU 134 N -3.31 0.04 -0.28 0.00 4.77 -0.82 -4.38 117.00 113.02 2b35 n LEU 134 Ca -0.12 -0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 2b35 n LEU 134 Cb 1.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 42.19 2b35 n LEU 134 CO 0.48 0.01 1.19 0.25 -1.33 0.00 0.00 177.39 177.99 2b35 h LEU 135 N 0.00 0.85 -2.10 2.23 7.12 -1.53 -0.91 115.31 120.97 2b35 h LEU 135 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2b35 h LEU 135 Cb 0.57 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2b35 h LEU 135 CO 0.00 0.59 0.00 -0.65 -0.13 0.00 0.00 178.44 178.25 2b35 h PRO 136 N 1.00 0.00 -0.52 5.25 0.11 -1.81 -1.82 132.00 134.21 2b35 h PRO 136 Ca 0.30 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.10 2b35 h PRO 136 Cb -0.03 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.89 2b35 h PRO 136 CO -0.10 0.00 -0.07 0.44 -0.21 0.00 0.00 178.00 178.06 2b35 n ILE 137 N -2.70 2.70 -4.83 4.15 -5.35 -0.38 -5.03 119.36 107.93 2b35 n ILE 137 Ca -0.02 -3.00 -0.31 0.00 -0.27 0.00 0.00 62.75 59.16 2b35 n ILE 137 Cb 0.08 -0.56 -0.14 0.00 -1.74 0.00 0.00 39.64 37.29 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 -3.38 1.95 0.30 6.28 -1.94 -0.69 0.23 119.30 122.06 2b35 s MET 138 Ca 0.49 -1.03 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 2b35 s MET 138 Cb 0.42 -2.08 -0.09 0.00 2.01 0.00 0.00 34.83 35.09 2b35 s MET 138 CO 0.01 0.53 0.83 -0.80 -0.01 0.00 0.00 175.02 175.58 2b35 s ASN 139 N -1.26 7.09 0.35 3.03 0.02 0.65 -4.88 114.94 119.93 2b35 s ASN 139 Ca 0.13 1.58 -0.26 0.00 -1.02 0.00 0.00 52.86 53.29 2b35 s ASN 139 Cb -0.10 -2.48 -0.13 0.00 0.02 0.00 0.00 41.25 38.56 2b35 s ASN 139 CO 0.03 -0.10 0.92 -2.65 0.02 0.00 0.00 177.10 175.33 2b35 n PRO 140 N 0.29 1.19 -0.29 -0.60 -0.02 -1.25 -1.46 135.00 132.86 2b35 n PRO 140 Ca 0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2b35 n PRO 140 Cb 0.51 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.32 1.07 3.69 -1.23 0.00 0.15 -5.02 105.19 105.17 2b35 n GLY 141 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2b35 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b35 s GLY 142 N -1.71 1.61 -0.19 -0.02 0.00 -0.53 -4.85 107.32 101.62 2b35 s GLY 142 Ca 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 2b35 s GLY 142 CO 0.00 -0.05 0.34 -0.45 0.00 0.00 0.00 173.10 172.95 2b35 s SER 143 N -3.98 0.21 -0.18 1.64 0.15 -0.36 -1.21 113.70 109.97 2b35 s SER 143 Ca 0.69 0.56 -0.08 0.00 0.70 0.00 0.00 55.95 57.82 2b35 s SER 143 Cb -0.11 1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 65.16 2b35 s SER 143 CO 0.55 -0.26 0.08 -0.63 1.20 0.00 0.00 173.24 174.19 2b35 s ILE 144 N 2.51 4.99 -0.05 6.45 1.01 0.29 -2.16 121.20 134.24 2b35 s ILE 144 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.74 2b35 s ILE 144 Cb -0.13 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.11 2b35 s ILE 144 CO -0.12 0.47 -0.05 0.54 0.00 0.00 0.00 174.94 175.77 2b35 s VAL 145 N 0.23 0.61 0.57 2.92 0.11 -0.20 -1.17 120.40 123.48 2b35 s VAL 145 Ca 0.05 -0.17 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 2b35 s VAL 145 Cb -0.12 -0.62 0.08 0.00 -1.53 0.00 0.00 36.38 34.19 2b35 s VAL 145 CO -0.00 0.24 0.69 -0.83 -3.33 0.00 0.00 175.10 171.87 2b35 s GLY 146 N 0.89 1.90 -0.05 6.54 0.00 -0.96 0.44 107.32 116.08 2b35 s GLY 146 Ca -0.12 -1.90 0.06 0.00 0.00 0.00 0.00 44.72 42.76 2b35 s GLY 146 CO 0.01 -1.77 -0.23 1.06 0.00 0.00 0.00 173.10 172.16 2b35 s MET 147 N -4.57 2.38 0.14 2.90 -1.94 -0.61 -1.97 119.30 115.62 2b35 s MET 147 Ca 0.54 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.74 2b35 s MET 147 Cb -0.05 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 2b35 s MET 147 CO 0.34 0.36 -0.14 0.34 -0.01 0.00 0.00 175.02 175.91 2b35 s ASP 148 N -0.13 2.11 -0.13 3.03 2.15 0.54 -4.88 116.67 119.37 2b35 s ASP 148 Ca -0.03 -0.86 0.01 0.00 0.43 0.00 0.00 52.55 52.09 2b35 s ASP 148 Cb -0.13 -0.08 0.02 0.00 -0.30 0.00 0.00 42.92 42.43 2b35 s ASP 148 CO 0.03 -0.16 -0.14 0.12 -0.17 0.00 0.00 175.17 174.86 2b35 s PHE 149 N -2.37 1.99 -0.44 -5.34 5.99 -1.26 -1.90 117.98 114.65 2b35 s PHE 149 Ca 0.12 -1.03 -0.42 0.00 0.00 0.00 0.00 56.93 55.60 2b35 s PHE 149 Cb -0.04 -1.47 -0.17 0.00 0.00 0.00 0.00 43.02 41.34 2b35 s PHE 149 CO 0.03 -0.57 2.01 -3.47 -0.00 0.00 0.00 175.22 173.22 2b35 n ASP 150 N 4.56 1.35 -1.13 6.13 2.03 -1.26 -4.84 116.55 123.38 2b35 n ASP 150 Ca -0.17 0.76 0.11 0.00 0.52 0.00 0.00 54.79 56.01 2b35 n ASP 150 Cb 0.50 -1.01 0.23 0.00 -0.72 0.00 0.00 41.12 40.12 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 6.77 2.50 0.33 -0.67 -0.04 -1.26 -4.67 135.00 137.96 2b35 n PRO 151 Ca 0.44 -2.31 0.21 0.00 -0.04 0.00 0.00 63.50 61.80 2b35 n PRO 151 Cb 0.04 -1.50 1.14 0.00 -0.04 0.00 0.00 33.50 33.14 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 4.17 0.00 -4.31 3.54 0.02 -1.96 -3.40 113.55 111.62 2b35 h SER 152 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 2b35 h SER 152 Cb 0.95 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.24 2b35 h SER 152 CO 0.00 0.00 -0.78 -0.13 -1.14 0.00 0.00 176.83 174.78 2b35 s ARG 153 N -4.26 0.82 0.68 3.45 0.52 -1.26 -5.14 118.95 113.75 2b35 s ARG 153 Ca -0.05 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.38 2b35 s ARG 153 Cb 0.13 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.82 2b35 s ARG 153 CO 0.44 0.20 1.09 0.00 0.02 0.00 0.00 175.30 177.05 2b35 s ALA 154 N -0.75 2.49 0.11 2.13 0.00 -1.26 -5.06 121.76 119.42 2b35 s ALA 154 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 2b35 s ALA 154 Cb -0.07 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2b35 s ALA 154 CO 0.01 -1.29 0.30 0.00 0.00 0.00 0.00 175.76 174.78 2b35 s MET 155 N -4.36 0.97 0.39 0.00 0.23 -1.26 -5.15 119.30 110.12 2b35 s MET 155 Ca 0.64 -0.84 -0.22 0.00 -1.03 0.00 0.00 55.69 54.25 2b35 s MET 155 Cb -0.18 0.41 -0.10 0.00 -1.53 0.00 0.00 34.83 33.42 2b35 s MET 155 CO 0.45 -0.35 0.93 -1.25 -2.03 0.00 0.00 175.02 172.77 2b35 s PRO 156 N -3.84 4.30 0.00 3.16 0.04 -1.26 -4.01 135.00 133.40 2b35 s PRO 156 Ca 0.04 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2b35 s PRO 156 Cb 0.03 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2b35 s PRO 156 CO -0.11 0.07 0.00 0.00 0.04 0.00 0.00 177.00 177.00 2b35 n ALA 157 N -0.30 0.00 0.14 8.56 0.00 -1.26 -4.65 120.51 123.00 2b35 n ALA 157 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 2b35 n ALA 157 Cb 0.53 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.16 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 0.03 0.00 0.00 3.20 -1.88 1.56 116.97 119.88 2b35 h TYR 158 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2b35 h TYR 158 Cb 0.00 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2b35 h TYR 158 CO 0.00 0.62 0.00 0.09 -1.64 0.00 0.00 178.16 177.23 2b35 n ASN 159 N -3.83 0.00 0.20 -2.11 3.02 -1.26 -1.82 115.26 109.46 2b35 n ASN 159 Ca -0.01 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 2b35 n ASN 159 Cb 0.60 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.41 2b35 n ASN 159 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2b35 h TRP 160 N 0.00 0.00 -0.05 3.10 4.06 -1.44 -0.32 115.95 121.30 2b35 h TRP 160 Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 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 0.00 -0.35 1.98 -3.56 0.00 0.00 178.44 176.51 2b35 h MET 161 N 0.00 0.10 -0.15 0.49 4.05 -1.47 -0.05 114.93 117.90 2b35 h MET 161 Ca 0.00 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2b35 h MET 161 Cb 0.29 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2b35 h MET 161 CO 0.00 0.44 -0.07 1.15 0.23 0.00 0.00 176.91 178.66 2b35 h THR 162 N 0.08 0.78 -0.76 -0.77 2.02 -1.06 -1.10 112.91 112.09 2b35 h THR 162 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2b35 h THR 162 Cb 0.67 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2b35 h THR 162 CO 0.05 0.00 0.47 0.58 0.37 0.00 0.00 175.52 176.99 2b35 h VAL 163 N -0.05 1.21 0.00 3.16 2.07 -1.41 -0.78 116.25 120.45 2b35 h VAL 163 Ca 0.08 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2b35 h VAL 163 Cb 0.17 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2b35 h VAL 163 CO -0.18 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2b35 h ALA 164 N 1.47 1.00 0.00 1.67 0.00 -0.49 -2.82 119.26 120.09 2b35 h ALA 164 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.89 2b35 h ALA 164 Cb -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2b35 h ALA 164 CO -0.05 0.00 -1.79 1.63 0.00 0.00 0.00 179.25 179.04 2b35 n LYS 165 N -2.55 0.64 0.01 0.00 4.76 -0.42 -3.23 118.16 117.38 2b35 n LYS 165 Ca 0.02 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2b35 n LYS 165 Cb 0.27 -1.76 0.31 0.00 -1.84 0.00 0.00 35.03 32.01 2b35 n LYS 165 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2b35 h SER 166 N 0.00 0.47 0.09 4.39 0.02 -1.08 -1.62 113.55 115.82 2b35 h SER 166 Ca -0.32 -0.09 -0.29 0.00 -0.84 0.00 0.00 61.79 60.26 2b35 h SER 166 Cb 2.03 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 64.48 2b35 h SER 166 CO 0.07 0.54 -1.19 0.00 -1.14 0.00 0.00 176.83 175.12 2b35 h ALA 167 N 1.52 0.04 -0.45 3.77 0.00 -1.65 -2.99 119.26 119.50 2b35 h ALA 167 Ca 0.10 -0.75 0.06 0.00 0.00 0.00 0.00 54.91 54.32 2b35 h ALA 167 Cb 0.32 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2b35 h ALA 167 CO 0.01 0.69 0.15 1.25 0.00 0.00 0.00 179.25 181.35 2b35 h LEU 168 N 0.32 0.15 -0.16 0.00 6.46 -1.48 0.36 115.31 120.95 2b35 h LEU 168 Ca -0.17 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.66 2b35 h LEU 168 Cb 1.85 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.80 2b35 h LEU 168 CO 0.23 0.12 0.02 -0.33 -0.62 0.00 0.00 178.44 177.86 2b35 h GLU 169 N 0.32 0.08 -0.39 1.25 5.08 -1.35 0.29 114.58 119.87 2b35 h GLU 169 Ca 0.21 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2b35 h GLU 169 Cb 0.22 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2b35 h GLU 169 CO -0.22 0.06 -0.00 1.03 -1.00 0.00 0.00 179.01 178.87 2b35 h SER 170 N 0.09 -0.17 -0.31 1.42 0.87 -1.25 -2.76 113.55 111.43 2b35 h SER 170 Ca 0.07 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 2b35 h SER 170 Cb 0.07 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 2b35 h SER 170 CO -0.10 -0.05 0.02 0.58 -0.53 0.00 0.00 176.83 176.76 2b35 h VAL 171 N 0.10 0.80 -0.87 2.23 2.07 0.13 -2.68 116.25 118.03 2b35 h VAL 171 Ca 0.19 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.77 2b35 h VAL 171 Cb 0.27 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2b35 h VAL 171 CO -0.32 0.02 0.56 -1.13 0.02 0.00 0.00 177.57 176.72 2b35 h ASN 172 N 0.12 0.74 -0.43 0.57 -1.24 -0.30 0.25 115.58 115.29 2b35 h ASN 172 Ca 0.15 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.10 2b35 h ASN 172 Cb 0.19 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 2b35 h ASN 172 CO -0.23 0.43 -0.03 0.03 -1.29 0.00 0.00 177.43 176.33 2b35 h ARG 173 N 0.81 0.85 0.00 6.67 3.08 -1.20 -1.58 114.38 123.01 2b35 h ARG 173 Ca 0.41 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 2b35 h ARG 173 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2b35 h ARG 173 CO -0.17 0.87 -0.69 0.74 -1.07 0.00 0.00 179.97 179.64 2b35 h PHE 174 N 0.78 0.00 -0.35 3.04 -1.00 -1.18 -3.09 116.94 115.14 2b35 h PHE 174 Ca 0.14 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.81 2b35 h PHE 174 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 2b35 h PHE 174 CO 0.03 0.69 -0.26 0.28 -1.61 0.00 0.00 178.31 177.44 2b35 h VAL 175 N 0.00 1.27 -0.56 -0.55 2.07 -0.18 -2.89 116.25 115.41 2b35 h VAL 175 Ca -0.01 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 2b35 h VAL 175 Cb 1.31 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2b35 h VAL 175 CO 0.09 0.45 0.31 0.00 0.02 0.00 0.00 177.57 178.44 2b35 h ALA 176 N 1.11 1.49 -0.17 1.67 0.00 -1.30 0.30 119.26 122.35 2b35 h ALA 176 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2b35 h ALA 176 Cb 0.75 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2b35 h ALA 176 CO 0.06 0.43 0.08 0.00 0.00 0.00 0.00 179.25 179.82 2b35 h ARG 177 N 0.78 0.24 -0.18 0.00 3.08 -1.43 -2.31 114.38 114.56 2b35 h ARG 177 Ca 0.20 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 2b35 h ARG 177 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2b35 h ARG 177 CO -0.03 0.28 -0.25 0.93 -1.07 0.00 0.00 179.97 179.83 2b35 h GLU 178 N 0.15 0.49 -0.71 0.04 4.39 -1.35 -3.14 114.58 114.44 2b35 h GLU 178 Ca 0.06 -0.28 0.16 0.00 0.34 0.00 0.00 59.36 59.63 2b35 h GLU 178 Cb 0.11 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2b35 h GLU 178 CO -0.01 0.88 0.49 0.00 -1.16 0.00 0.00 179.01 179.20 2b35 h ALA 179 N 0.61 2.25 -0.02 3.43 0.00 -0.35 -2.43 119.26 122.75 2b35 h ALA 179 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2b35 h ALA 179 Cb 0.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2b35 h ALA 179 CO 0.06 -0.45 -0.49 0.78 0.00 0.00 0.00 179.25 179.16 2b35 h GLY 180 N 0.29 0.04 1.75 0.00 0.00 -1.36 0.28 103.07 104.07 2b35 h GLY 180 Ca 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.64 2b35 h GLY 180 CO -0.09 0.04 0.12 0.50 0.00 0.00 0.00 176.54 177.11 2b35 h LYS 181 N 0.03 0.00 -0.46 4.80 1.57 -1.56 -0.14 116.57 120.82 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 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2b35 h LYS 181 CO 0.07 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.61 2b35 n TYR 182 N -3.13 0.78 -3.50 -1.35 4.02 -0.07 -4.97 117.16 108.93 2b35 n TYR 182 Ca -0.02 -0.57 -0.25 0.00 -0.01 0.00 0.00 57.90 57.05 2b35 n TYR 182 Cb 0.19 -0.09 0.05 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.69 -0.53 3.41 2.72 0.00 -0.07 -3.79 105.19 107.63 2b35 n GLY 183 Ca 0.17 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.25 2.43 -0.13 1.61 1.01 -0.28 -0.67 120.40 121.12 2b35 s VAL 184 Ca 0.52 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2b35 s VAL 184 Cb -0.24 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2b35 s VAL 184 CO 0.64 0.15 -0.04 -0.13 0.00 0.00 0.00 175.10 175.72 2b35 s ARG 185 N -1.91 3.46 -0.19 2.72 0.52 -0.35 -3.51 118.95 119.69 2b35 s ARG 185 Ca 0.15 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 2b35 s ARG 185 Cb -0.10 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.52 2b35 s ARG 185 CO 0.06 0.35 -0.11 0.45 0.02 0.00 0.00 175.30 176.08 2b35 s SER 186 N 0.05 3.88 0.03 0.23 0.15 -1.26 0.11 113.70 116.88 2b35 s SER 186 Ca 0.00 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 2b35 s SER 186 Cb -0.13 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 2b35 s SER 186 CO 0.03 0.02 -0.01 0.20 1.20 0.00 0.00 173.24 174.68 2b35 s ASN 187 N 1.23 0.29 0.12 5.45 0.01 -0.31 0.24 114.94 121.97 2b35 s ASN 187 Ca 0.03 -0.62 0.06 0.00 -0.71 0.00 0.00 52.86 51.61 2b35 s ASN 187 Cb -0.14 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.63 2b35 s ASN 187 CO -0.05 -0.41 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.36 2b35 s LEU 188 N -1.94 3.36 -0.31 0.60 1.02 0.30 -2.26 118.68 119.45 2b35 s LEU 188 Ca -0.08 -0.27 -0.02 0.00 0.02 0.00 0.00 54.13 53.78 2b35 s LEU 188 Cb -0.04 -2.07 0.05 0.00 0.02 0.00 0.00 46.19 44.15 2b35 s LEU 188 CO -0.04 0.15 0.01 -0.69 0.02 0.00 0.00 176.35 175.80 2b35 s VAL 189 N -1.42 3.00 -0.87 -1.59 1.01 -0.83 -1.18 120.40 118.51 2b35 s VAL 189 Ca 0.26 -1.44 -0.20 0.00 0.00 0.00 0.00 61.98 60.59 2b35 s VAL 189 Cb -0.11 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.63 2b35 s VAL 189 CO 0.18 -0.15 1.11 0.00 0.00 0.00 0.00 175.10 176.24 2b35 s ALA 190 N 1.24 3.26 0.28 5.51 0.00 -0.34 -0.34 121.76 131.37 2b35 s ALA 190 Ca -0.04 -2.52 -0.15 0.00 0.00 0.00 0.00 51.96 49.25 2b35 s ALA 190 Cb -0.20 -4.04 -0.08 0.00 0.00 0.00 0.00 23.12 18.79 2b35 s ALA 190 CO -0.01 -2.98 0.70 0.00 0.00 0.00 0.00 175.76 173.46 2b35 s ALA 191 N 3.18 3.38 0.97 0.00 0.00 -0.80 -0.93 121.76 127.56 2b35 s ALA 191 Ca 0.31 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2b35 s ALA 191 Cb -0.07 -2.72 0.17 0.00 0.00 0.00 0.00 23.12 20.50 2b35 s ALA 191 CO -0.05 0.36 1.13 0.20 0.00 0.00 0.00 175.76 177.40 2b35 s GLY 192 N -2.15 1.58 -0.01 0.00 0.00 -0.34 -4.68 107.32 101.71 2b35 s GLY 192 Ca 0.51 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.39 2b35 s GLY 192 CO 0.19 0.08 1.74 2.56 0.00 0.00 0.00 173.10 177.66 2b35 s PRO 193 N -5.21 4.17 -0.09 2.90 0.04 -1.26 -5.00 135.00 130.55 2b35 s PRO 193 Ca 0.65 2.33 0.03 0.00 0.04 0.00 0.00 61.00 64.05 2b35 s PRO 193 Cb -0.15 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 2b35 s PRO 193 CO 0.55 -0.86 -0.17 0.42 0.04 0.00 0.00 177.00 176.98 2b35 s ILE 194 N 3.95 2.71 -0.35 0.56 -1.09 -1.26 -4.28 121.20 121.44 2b35 s ILE 194 Ca 0.78 -0.81 -0.28 0.00 -2.23 0.00 0.00 60.65 58.11 2b35 s ILE 194 Cb -0.37 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.41 2b35 s ILE 194 CO 0.33 0.55 1.84 -0.13 -1.23 0.00 0.00 174.94 176.30 2b35 s ARG 195 N 0.01 3.24 0.00 2.79 1.81 0.24 -4.83 118.95 122.21 2b35 s ARG 195 Ca -0.06 1.39 0.00 0.00 -1.72 0.00 0.00 55.73 55.34 2b35 s ARG 195 Cb -0.15 -4.23 0.00 0.00 -0.45 0.00 0.00 34.95 30.12 2b35 s ARG 195 CO 0.05 -1.97 0.00 2.41 -0.68 0.00 0.00 175.30 175.11 2b35 n THR 196 N 7.43 0.00 0.00 0.02 -1.04 -0.01 -4.88 114.28 115.80 2b35 n THR 196 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2b35 n THR 196 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 2b35 n THR 196 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2b35 n LEU 197 N 0.00 0.00 -4.64 -4.42 4.77 -1.26 -4.92 117.00 106.53 2b35 n LEU 197 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2b35 n LEU 197 Cb 0.00 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 2b35 n LEU 197 CO 0.00 -0.41 1.16 0.00 -1.33 0.00 0.00 177.39 176.81 2b35 s ALA 198 N -2.27 3.49 0.02 -1.18 0.00 -1.26 -5.25 121.76 115.31 2b35 s ALA 198 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2b35 s ALA 198 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2b35 s ALA 198 CO 0.00 -1.53 0.00 -0.12 0.00 0.00 0.00 175.76 174.11 2b35 n MET 199 N 7.06 -0.17 0.00 0.00 0.00 -1.26 -4.96 117.12 117.79 2b35 n MET 199 Ca 0.15 0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.96 2b35 n MET 199 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 33.22 33.45 2b35 n MET 199 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2b35 n GLU 220 N -0.77 0.00 0.02 2.12 2.13 -1.26 -0.83 120.64 122.04 2b35 n GLU 220 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.71 2b35 n GLU 220 Cb 0.51 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.08 2b35 n GLU 220 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2b35 h GLY 221 N 0.00 0.10 1.13 8.31 0.00 -2.01 -2.70 103.07 107.90 2b35 h GLY 221 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 2b35 h GLY 221 CO 0.00 0.22 -0.24 -0.25 0.00 0.00 0.00 176.54 176.28 2b35 h TRP 222 N 0.02 1.14 -0.43 5.60 2.91 -1.98 -0.19 115.95 123.02 2b35 h TRP 222 Ca -0.24 -0.28 -0.02 0.00 1.13 0.00 0.00 58.89 59.48 2b35 h TRP 222 Cb 1.97 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 30.34 2b35 h TRP 222 CO 0.02 1.11 0.18 0.22 -1.03 0.00 0.00 178.44 178.94 2b35 h ASP 223 N 0.85 0.58 0.17 2.65 3.58 -1.81 -0.92 116.42 121.52 2b35 h ASP 223 Ca 0.10 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.40 2b35 h ASP 223 Cb 0.82 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 2b35 h ASP 223 CO 0.07 0.59 -0.25 1.56 -2.88 0.00 0.00 179.24 178.33 2b35 h GLN 224 N 0.54 -0.47 -0.05 0.28 4.20 -1.12 -3.17 115.11 115.33 2b35 h GLN 224 Ca 0.14 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 2b35 h GLN 224 Cb 0.18 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2b35 h GLN 224 CO -0.01 -0.31 0.02 0.00 -0.67 0.00 0.00 178.83 177.85 2b35 h ARG 225 N -0.48 0.07 -6.02 1.46 3.08 -1.08 -3.44 114.38 107.97 2b35 h ARG 225 Ca 0.01 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.41 2b35 h ARG 225 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2b35 h ARG 225 CO -0.10 0.21 1.39 0.00 -1.07 0.00 0.00 179.97 180.40 2b35 n ALA 226 N -2.19 1.23 -0.35 0.04 0.00 -0.35 -4.61 120.51 114.27 2b35 n ALA 226 Ca -0.07 -0.07 0.26 0.00 0.00 0.00 0.00 53.44 53.57 2b35 n ALA 226 Cb 0.11 -2.64 0.53 0.00 0.00 0.00 0.00 19.45 17.45 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 12.68 0.32 -0.60 0.00 0.11 -1.73 -0.20 132.00 142.58 2b35 h PRO 227 Ca -0.34 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.47 2b35 h PRO 227 Cb 1.29 -0.07 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 2b35 h PRO 227 CO 0.99 0.21 0.20 0.44 -0.21 0.00 0.00 178.00 179.64 2b35 n ILE 228 N -4.70 2.79 -1.40 4.15 -5.35 -1.23 -5.07 119.36 108.55 2b35 n ILE 228 Ca 0.29 -2.33 0.15 0.00 -0.27 0.00 0.00 62.75 60.59 2b35 n ILE 228 Cb 1.01 -0.37 -0.08 0.00 -1.74 0.00 0.00 39.64 38.45 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 -1.02 -3.14 3.09 3.28 0.00 -0.09 -5.00 105.19 102.31 2b35 n GLY 229 Ca 0.42 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.48 1.01 -0.32 1.61 -0.11 -1.26 -4.67 118.94 110.72 2b35 s TRP 230 Ca 0.00 -0.31 -0.00 0.00 1.22 0.00 0.00 56.10 57.00 2b35 s TRP 230 Cb 0.00 -0.61 0.10 0.00 -1.50 0.00 0.00 33.47 31.46 2b35 s TRP 230 CO 0.00 0.00 0.10 1.21 -4.62 0.00 0.00 176.95 173.65 2b35 s ASN 231 N -0.92 4.04 0.28 5.86 2.47 -1.26 -4.58 114.94 120.83 2b35 s ASN 231 Ca 0.00 -1.71 0.24 0.00 0.42 0.00 0.00 52.86 51.81 2b35 s ASN 231 Cb -0.07 -0.90 1.04 0.00 -1.45 0.00 0.00 41.25 39.87 2b35 s ASN 231 CO 0.01 -0.41 1.71 1.15 -3.72 0.00 0.00 177.10 175.84 2b35 n MET 232 N 4.76 0.19 0.00 0.43 0.00 -1.26 -1.83 117.12 119.41 2b35 n MET 232 Ca -0.01 0.47 0.13 0.00 0.00 0.00 0.00 57.70 58.29 2b35 n MET 232 Cb 0.42 -1.91 0.39 0.00 0.00 0.00 0.00 33.22 32.12 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 -2.27 0.92 -4.04 3.17 5.02 -1.26 -0.60 118.16 119.10 2b35 n LYS 233 Ca 0.01 -0.54 -0.32 0.00 -2.02 0.00 0.00 58.31 55.44 2b35 n LYS 233 Cb 0.19 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.45 4.55 0.00 4.39 2.15 -0.76 -4.98 116.67 119.56 2b35 s ASP 234 Ca 0.26 -1.44 0.27 0.00 0.43 0.00 0.00 52.55 52.07 2b35 s ASP 234 Cb 0.19 -1.58 0.94 0.00 -0.30 0.00 0.00 42.92 42.17 2b35 s ASP 234 CO 0.50 -0.22 1.68 0.00 -0.17 0.00 0.00 175.17 176.97 2b35 n ALA 235 N 4.45 2.56 -0.10 3.66 0.00 -1.26 -4.48 120.51 125.34 2b35 n ALA 235 Ca -0.13 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 2b35 n ALA 235 Cb 0.42 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2b35 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2b35 h THR 236 N 2.57 1.27 -0.33 0.00 2.02 -1.95 -1.86 112.91 114.62 2b35 h THR 236 Ca 0.00 -1.66 0.04 0.00 0.77 0.00 0.00 66.41 65.56 2b35 h THR 236 Cb 0.55 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 2b35 h THR 236 CO 0.00 0.55 0.09 -0.65 0.37 0.00 0.00 175.52 175.88 2b35 h PRO 237 N 0.72 0.21 -0.06 6.66 0.11 -1.99 -0.93 132.00 136.72 2b35 h PRO 237 Ca 0.03 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.16 2b35 h PRO 237 Cb 1.09 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 2b35 h PRO 237 CO 0.11 0.14 -0.14 0.28 -0.21 0.00 0.00 178.00 178.18 2b35 h VAL 238 N 0.22 0.64 -0.52 3.15 2.07 -1.84 -2.53 116.25 117.44 2b35 h VAL 238 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2b35 h VAL 238 Cb 0.15 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2b35 h VAL 238 CO -0.18 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.74 2b35 h ALA 239 N 0.80 1.62 -0.26 1.67 0.00 -1.24 -2.34 119.26 119.51 2b35 h ALA 239 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2b35 h ALA 239 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2b35 h ALA 239 CO -0.18 0.35 0.16 0.87 0.00 0.00 0.00 179.25 180.45 2b35 h LYS 240 N 0.70 0.35 -0.98 0.00 1.57 -0.92 -0.63 116.57 116.66 2b35 h LYS 240 Ca 0.19 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 2b35 h LYS 240 Cb -0.07 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.08 2b35 h LYS 240 CO -0.04 0.26 0.62 1.15 -0.57 0.00 0.00 179.45 180.86 2b35 h THR 241 N 0.34 0.98 -0.43 -0.16 2.02 -1.10 0.13 112.91 114.69 2b35 h THR 241 Ca 0.09 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 2b35 h THR 241 Cb -0.01 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 2b35 h THR 241 CO -0.02 0.19 -0.05 0.58 0.37 0.00 0.00 175.52 176.59 2b35 h VAL 242 N 1.03 1.27 -0.50 3.16 2.07 -1.16 -2.09 116.25 120.02 2b35 h VAL 242 Ca 0.46 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2b35 h VAL 242 Cb 0.36 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2b35 h VAL 242 CO -0.23 0.38 0.23 0.00 0.02 0.00 0.00 177.57 177.97 2b35 h ALA 244 N 1.07 1.53 -0.38 0.00 0.00 -0.72 0.11 119.26 120.88 2b35 h ALA 244 Ca 0.17 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2b35 h ALA 244 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2b35 h ALA 244 CO -0.02 0.21 -0.37 -0.07 0.00 0.00 0.00 179.25 179.00 2b35 h LEU 245 N 0.98 0.98 -1.59 0.00 -0.00 -0.95 -2.92 115.31 111.81 2b35 h LEU 245 Ca 0.50 -0.46 -0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2b35 h LEU 245 Cb 0.52 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 2b35 h LEU 245 CO -0.27 1.24 -0.22 -0.07 -0.00 0.00 0.00 178.44 179.12 2b35 h LEU 246 N 0.74 0.00-10.41 1.67 3.38 -0.44 -3.45 115.31 106.80 2b35 h LEU 246 Ca 0.06 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.62 2b35 h LEU 246 Cb 0.96 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.90 2b35 h LEU 246 CO 0.09 0.22 0.14 -0.94 0.09 0.00 0.00 178.44 178.04 2b35 s SER 247 N -6.69 0.88 -0.37 -0.43 1.04 0.33 -4.77 113.70 103.69 2b35 s SER 247 Ca -0.03 0.58 0.06 0.00 0.48 0.00 0.00 55.95 57.04 2b35 s SER 247 Cb 0.14 -0.78 0.67 0.00 0.10 0.00 0.00 66.02 66.16 2b35 s SER 247 CO 0.67 -4.14 1.82 0.47 0.98 0.00 0.00 173.24 173.04 2b35 n ASP 248 N -4.76 4.19 -0.89 7.02 8.00 -1.26 -4.35 116.55 124.50 2b35 n ASP 248 Ca 0.14 -3.35 0.11 0.00 0.71 0.00 0.00 54.79 52.39 2b35 n ASP 248 Cb 0.60 -0.78 0.10 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.62 0.05 -3.10 1.24 7.02 -1.26 -4.26 117.44 116.51 2b35 n TRP 249 Ca 0.49 -0.03 -0.24 0.00 -1.02 0.00 0.00 57.50 56.70 2b35 n TRP 249 Cb 1.49 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 30.34 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 1.23 2.84 0.06 -0.99 4.77 -1.26 -4.95 117.00 118.71 2b35 n LEU 250 Ca 0.13 -5.36 0.13 0.00 -0.03 0.00 0.00 56.01 50.89 2b35 n LEU 250 Cb 0.54 -0.05 0.48 0.00 -2.33 0.00 0.00 43.42 42.07 2b35 n LEU 250 CO 0.14 2.28 0.91 -0.81 -1.33 0.00 0.00 177.39 178.57 2b35 n PRO 251 N 0.18 0.15 -0.79 3.23 -0.04 -1.26 -3.06 135.00 133.41 2b35 n PRO 251 Ca 0.28 0.15 -0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2b35 n PRO 251 Cb 0.49 -1.69 0.28 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.67 3.98 -4.09 0.55 0.00 -1.26 -4.97 120.51 113.05 2b35 n ALA 252 Ca 0.06 -2.46 -0.32 0.00 0.00 0.00 0.00 53.44 50.72 2b35 n ALA 252 Cb 0.37 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 2b35 n ALA 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2b35 s THR 253 N -2.98 1.96 -0.16 0.00 2.01 -1.17 -5.09 115.64 110.20 2b35 s THR 253 Ca 0.49 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 2b35 s THR 253 Cb 0.40 -1.83 0.07 0.00 0.01 0.00 0.00 72.50 71.15 2b35 s THR 253 CO 0.10 0.45 0.69 0.28 -0.69 0.00 0.00 174.62 175.44 2b35 s THR 254 N 1.31 0.00 -1.03 -0.82 -1.32 -1.26 -4.66 115.64 107.86 2b35 s THR 254 Ca 0.03 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 2b35 s THR 254 Cb -0.14 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2b35 s THR 254 CO -0.11 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 2b35 n GLY 255 N 1.88 0.40 3.69 6.08 0.00 0.66 -4.94 105.19 112.96 2b35 n GLY 255 Ca -0.16 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2b35 n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b35 s ASP 256 N -2.64 3.70 -0.05 1.61 -1.08 -1.23 -4.55 116.67 112.43 2b35 s ASP 256 Ca 0.00 -1.71 0.01 0.00 -0.52 0.00 0.00 52.55 50.32 2b35 s ASP 256 Cb 0.00 0.64 0.02 0.00 -1.46 0.00 0.00 42.92 42.13 2b35 s ASP 256 CO 0.00 -0.94 -0.03 -0.63 0.52 0.00 0.00 175.17 174.09 2b35 s ILE 257 N -3.00 0.46 -0.20 4.11 1.01 -1.26 -0.54 121.20 121.77 2b35 s ILE 257 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2b35 s ILE 257 Cb 0.01 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.98 2b35 s ILE 257 CO 0.06 0.22 -0.15 -0.63 0.00 0.00 0.00 174.94 174.44 2b35 s ILE 258 N 1.08 2.39 -0.66 2.92 1.09 -0.33 -4.96 121.20 122.74 2b35 s ILE 258 Ca -0.09 -0.95 -0.23 0.00 -1.10 0.00 0.00 60.65 58.28 2b35 s ILE 258 Cb -0.14 -2.09 0.07 0.00 -1.06 0.00 0.00 42.46 39.23 2b35 s ILE 258 CO -0.01 0.41 0.98 -0.31 -0.10 0.00 0.00 174.94 175.91 2b35 s TYR 259 N 1.31 2.66 -1.15 3.97 1.51 -1.26 -1.20 117.35 123.18 2b35 s TYR 259 Ca 0.03 -0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 55.50 2b35 s TYR 259 Cb -0.14 -4.30 0.25 0.00 -0.11 0.00 0.00 41.96 37.66 2b35 s TYR 259 CO -0.09 -1.66 1.49 0.00 -1.11 0.00 0.00 175.55 174.17 2b35 n ALA 260 N 7.77 4.86 -1.79 3.71 0.00 -0.10 -4.62 120.51 130.34 2b35 n ALA 260 Ca -0.03 -4.60 0.03 0.00 0.00 0.00 0.00 53.44 48.84 2b35 n ALA 260 Cb 0.46 -2.60 0.05 0.00 0.00 0.00 0.00 19.45 17.35 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 2.71 0.80 -1.60 0.00 5.75 -1.25 -1.20 116.55 121.75 2b35 n ASP 261 Ca 0.30 -2.37 -0.20 0.00 -0.01 0.00 0.00 54.79 52.50 2b35 n ASP 261 Cb 0.36 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.38 1.93 2.06 6.12 0.00 -1.26 -2.30 105.19 111.36 2b35 n GLY 262 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.38 0.64 0.37 -0.02 0.00 -1.26 -2.37 105.19 102.16 2b35 n GLY 263 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 1.43 0.00 4.61 0.00 -1.71 -0.90 119.26 122.68 2b35 h ALA 264 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b35 h ALA 264 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2b35 h ALA 264 CO 0.00 0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.26 2b35 n HIS 265 N -4.53 0.00 1.15 0.00 1.44 -1.26 -2.39 115.22 109.63 2b35 n HIS 265 Ca 0.16 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.00 2b35 n HIS 265 Cb 0.22 -0.45 0.24 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.45 0.00 -4.69 0.61 -2.24 -0.34 -4.91 114.28 101.26 2b35 n THR 266 Ca 0.04 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.39 2b35 n THR 266 Cb 0.16 0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.52 1.52 -0.18 -0.78 -1.52 -1.01 -5.06 119.66 110.10 2b35 s GLN 267 Ca 0.22 -1.05 -0.23 0.00 -1.95 0.00 0.00 55.36 52.35 2b35 s GLN 267 Cb 0.19 -1.70 -0.20 0.00 -0.22 0.00 0.00 33.01 31.08 2b35 s GLN 267 CO 0.55 0.43 0.36 1.25 -0.25 0.00 0.00 175.29 177.63 2b35 h LEU 268 N 4.70 0.00 -0.43 2.90 5.85 -1.91 -3.49 115.31 122.93 2b35 h LEU 268 Ca -0.45 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 57.66 2b35 h LEU 268 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2b35 h LEU 268 CO 0.43 1.28 0.00 0.18 -0.34 0.00 0.00 178.44 179.99