#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b36 s GLY 3 N 0.00 1.78 0.40 3.38 0.00 -1.26 -4.96 107.32 106.66 2b36 s GLY 3 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 44.72 44.71 2b36 s GLY 3 CO 0.00 0.15 2.02 -2.00 0.00 0.00 0.00 173.10 173.27 2b36 h LEU 4 N 0.28 0.49 -3.31 0.66 6.46 -1.92 -3.17 115.31 114.82 2b36 h LEU 4 Ca -0.46 -0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.09 2b36 h LEU 4 Cb 1.19 -0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 40.86 2b36 h LEU 4 CO 0.62 0.34 -0.45 0.18 -0.62 0.00 0.00 178.44 178.51 2b36 n LEU 5 N -4.47 3.77 -4.72 2.25 7.99 -0.73 -4.77 117.00 116.32 2b36 n LEU 5 Ca 0.06 -4.12 -0.43 0.00 -0.01 0.00 0.00 56.01 51.52 2b36 n LEU 5 Cb 0.17 -0.52 -0.01 0.00 -0.11 0.00 0.00 43.42 42.95 2b36 n LEU 5 CO 0.35 1.57 1.08 0.47 -1.51 0.00 0.00 177.39 179.34 2b36 n ASP 6 N -1.01 3.29 -1.19 -1.43 8.00 -1.12 -2.49 116.55 120.60 2b36 n ASP 6 Ca 0.30 1.18 -0.15 0.00 0.71 0.00 0.00 54.79 56.82 2b36 n ASP 6 Cb 0.84 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.34 2b36 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b36 n GLY 7 N 1.47 1.55 3.68 0.44 0.00 -1.15 -4.98 105.19 106.19 2b36 n GLY 7 Ca 0.07 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2b36 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b36 s LYS 8 N -3.28 3.51 -0.37 1.61 1.02 -1.04 -4.95 119.74 116.24 2b36 s LYS 8 Ca 0.00 -0.35 -0.14 0.00 0.02 0.00 0.00 55.97 55.51 2b36 s LYS 8 Cb 0.00 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 2b36 s LYS 8 CO 0.00 0.50 0.26 1.03 -0.92 0.00 0.00 175.35 176.22 2b36 s ARG 9 N -0.30 3.18 -0.12 1.68 0.52 -1.26 -0.52 118.95 122.14 2b36 s ARG 9 Ca 0.08 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 2b36 s ARG 9 Cb -0.12 -3.87 0.01 0.00 0.52 0.00 0.00 34.95 31.49 2b36 s ARG 9 CO 0.02 -0.61 -0.21 0.42 0.02 0.00 0.00 175.30 174.94 2b36 s ILE 10 N 1.68 1.89 -0.10 1.52 1.01 -0.01 -0.02 121.20 127.18 2b36 s ILE 10 Ca 0.05 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 2b36 s ILE 10 Cb -0.18 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2b36 s ILE 10 CO 0.10 0.52 0.78 -0.22 0.00 0.00 0.00 174.94 176.12 2b36 s LEU 11 N 0.70 4.27 -0.23 2.97 0.20 -0.69 -1.17 118.68 124.72 2b36 s LEU 11 Ca -0.11 1.23 0.02 0.00 0.69 0.00 0.00 54.13 55.96 2b36 s LEU 11 Cb -0.16 -3.19 0.05 0.00 -0.43 0.00 0.00 46.19 42.45 2b36 s LEU 11 CO 0.02 -0.24 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.01 2b36 s VAL 12 N 1.36 2.11 0.39 1.68 1.01 0.13 0.16 120.40 127.24 2b36 s VAL 12 Ca 0.39 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 61.03 2b36 s VAL 12 Cb -0.18 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2b36 s VAL 12 CO 0.17 0.14 0.42 -0.94 0.00 0.00 0.00 175.10 174.88 2b36 s SER 13 N 1.17 5.38 0.00 3.32 1.04 -0.58 -1.54 113.70 122.49 2b36 s SER 13 Ca -0.05 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2b36 s SER 13 Cb -0.18 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2b36 s SER 13 CO -0.07 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2b36 n GLY 14 N -1.59 3.08 3.74 7.32 0.00 -1.25 -3.89 105.19 112.60 2b36 n GLY 14 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2b36 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b36 s ILE 15 N -2.71 2.61 0.00 -0.61 1.01 -1.26 -4.81 121.20 115.43 2b36 s ILE 15 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2b36 s ILE 15 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2b36 s ILE 15 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.01 2b36 n ILE 16 N 2.78 0.00 -4.27 2.92 0.13 -1.26 -4.77 119.36 114.89 2b36 n ILE 16 Ca 0.09 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.55 2b36 n ILE 16 Cb 0.40 -0.02 -0.07 0.00 -0.84 0.00 0.00 39.64 39.10 2b36 n ILE 16 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2b36 n THR 17 N -1.01 0.00 1.60 9.51 -2.24 -1.26 -4.66 114.28 116.22 2b36 n THR 17 Ca 0.00 -2.33 0.15 0.00 -2.27 0.00 0.00 64.05 59.60 2b36 n THR 17 Cb 0.01 1.17 0.75 0.00 -2.10 0.00 0.00 70.33 70.16 2b36 n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2b36 n ASP 18 N -1.74 0.28 0.03 3.42 5.75 -1.26 -3.04 116.55 119.99 2b36 n ASP 18 Ca 0.07 -0.66 0.11 0.00 -0.01 0.00 0.00 54.79 54.31 2b36 n ASP 18 Cb 0.58 -0.10 -0.11 0.00 -1.03 0.00 0.00 41.12 40.46 2b36 n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2b36 n SER 19 N -0.97 0.32 -4.58 -1.12 7.64 -1.26 -4.87 113.62 108.78 2b36 n SER 19 Ca 0.18 0.07 -0.45 0.00 1.01 0.00 0.00 58.87 59.68 2b36 n SER 19 Cb 0.22 1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 64.83 2b36 n SER 19 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2b36 n SER 20 N -2.36 1.26 -0.27 6.43 7.64 -1.17 -4.77 113.62 120.38 2b36 n SER 20 Ca -0.02 1.17 -0.00 0.00 1.01 0.00 0.00 58.87 61.03 2b36 n SER 20 Cb 0.55 -1.27 0.20 0.00 -1.01 0.00 0.00 64.21 62.68 2b36 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2b36 h ILE 21 N 2.08 1.22 -1.00 0.44 2.04 -1.91 -2.05 117.51 118.32 2b36 h ILE 21 Ca -0.40 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.16 2b36 h ILE 21 Cb 1.34 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 2b36 h ILE 21 CO 0.62 0.21 0.64 0.00 0.00 0.00 0.00 178.15 179.62 2b36 h ALA 22 N 1.47 1.47 -0.63 1.87 0.00 -1.87 -1.51 119.26 120.07 2b36 h ALA 22 Ca 0.31 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2b36 h ALA 22 Cb -0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 2b36 h ALA 22 CO -0.07 0.34 0.37 0.35 0.00 0.00 0.00 179.25 180.25 2b36 h PHE 23 N 1.09 0.70 -0.00 0.00 3.57 -1.64 0.84 116.94 121.49 2b36 h PHE 23 Ca 0.46 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.80 2b36 h PHE 23 Cb 0.31 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2b36 h PHE 23 CO -0.00 0.38 -0.80 0.45 -2.23 0.00 0.00 178.31 176.11 2b36 h HIS 24 N 0.73 0.13 -0.63 0.41 3.86 -1.49 0.80 115.15 118.95 2b36 h HIS 24 Ca 0.26 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 2b36 h HIS 24 Cb 0.06 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2b36 h HIS 24 CO -0.06 0.85 0.06 0.82 0.86 0.00 0.00 177.93 180.45 2b36 h ILE 25 N 0.05 1.26 0.41 2.45 2.04 -0.84 0.15 117.51 123.04 2b36 h ILE 25 Ca -0.02 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2b36 h ILE 25 Cb 1.40 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2b36 h ILE 25 CO 0.11 0.40 -0.20 0.00 0.00 0.00 0.00 178.15 178.47 2b36 h ALA 26 N 1.01 -0.55 -0.61 1.87 0.00 -0.69 -0.56 119.26 119.74 2b36 h ALA 26 Ca 0.19 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2b36 h ALA 26 Cb 0.50 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 2b36 h ALA 26 CO 0.02 -0.67 -0.19 -0.09 0.00 0.00 0.00 179.25 178.32 2b36 h ARG 27 N -0.81 -0.04 -0.17 0.00 2.43 -0.75 0.83 114.38 115.86 2b36 h ARG 27 Ca -0.06 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2b36 h ARG 27 Cb 0.54 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2b36 h ARG 27 CO 0.09 -0.03 -0.11 0.28 -1.51 0.00 0.00 179.97 178.69 2b36 h VAL 28 N -0.04 1.32 -0.69 0.20 2.07 -0.67 -1.28 116.25 117.16 2b36 h VAL 28 Ca 0.29 -1.20 0.14 0.00 0.82 0.00 0.00 66.70 66.74 2b36 h VAL 28 Cb 0.48 1.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.89 2b36 h VAL 28 CO -0.64 0.36 0.16 0.00 0.02 0.00 0.00 177.57 177.47 2b36 h ALA 29 N 0.66 0.87 -0.25 1.67 0.00 -0.60 0.80 119.26 122.40 2b36 h ALA 29 Ca 0.03 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2b36 h ALA 29 Cb 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2b36 h ALA 29 CO 0.03 -0.32 -0.42 1.96 0.00 0.00 0.00 179.25 180.50 2b36 h GLN 30 N 0.27 0.62 0.00 0.00 4.20 -0.69 -1.04 115.11 118.48 2b36 h GLN 30 Ca 0.38 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2b36 h GLN 30 Cb 0.62 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2b36 h GLN 30 CO -0.47 0.93 -0.08 0.93 -0.67 0.00 0.00 178.83 179.47 2b36 h GLU 31 N 0.51 0.00 -0.71 1.46 5.08 -0.34 -1.05 114.58 119.54 2b36 h GLU 31 Ca 0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 2b36 h GLU 31 Cb 0.95 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.09 2b36 h GLU 31 CO 0.09 0.08 0.23 1.04 -1.00 0.00 0.00 179.01 179.44 2b36 n GLN 32 N -3.42 3.83 -3.37 2.33 1.13 0.19 -4.87 117.38 113.20 2b36 n GLN 32 Ca -0.01 -3.11 -0.17 0.00 -1.94 0.00 0.00 57.00 51.77 2b36 n GLN 32 Cb 0.22 -2.21 0.08 0.00 0.11 0.00 0.00 30.24 28.44 2b36 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2b36 n GLY 33 N -0.09 -0.33 3.85 1.08 0.00 -0.40 -1.77 105.19 107.54 2b36 n GLY 33 Ca 0.39 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2b36 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b36 s ALA 34 N -3.32 3.80 -0.31 4.61 0.00 -0.48 -2.95 121.76 123.11 2b36 s ALA 34 Ca 0.14 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 2b36 s ALA 34 Cb -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2b36 s ALA 34 CO 0.67 0.66 0.78 -1.14 0.00 0.00 0.00 175.76 176.74 2b36 s GLN 35 N -1.34 3.95 0.23 0.00 0.74 0.32 -4.44 119.66 119.11 2b36 s GLN 35 Ca 0.19 0.56 0.05 0.00 0.05 0.00 0.00 55.36 56.21 2b36 s GLN 35 Cb -0.12 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 2b36 s GLN 35 CO 0.09 -0.69 0.35 -0.51 -0.55 0.00 0.00 175.29 173.98 2b36 s LEU 36 N 2.96 4.32 -0.19 3.68 1.43 -1.26 -0.83 118.68 128.79 2b36 s LEU 36 Ca 0.32 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 2b36 s LEU 36 Cb -0.14 -2.87 0.06 0.00 0.03 0.00 0.00 46.19 43.27 2b36 s LEU 36 CO 0.13 -0.06 0.06 -0.69 0.23 0.00 0.00 176.35 176.02 2b36 s VAL 37 N -1.95 0.30 0.36 -1.59 1.01 -0.32 -4.29 120.40 113.93 2b36 s VAL 37 Ca 0.34 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2b36 s VAL 37 Cb -0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2b36 s VAL 37 CO 0.29 -0.25 0.61 -0.76 0.00 0.00 0.00 175.10 174.98 2b36 s LEU 38 N 1.96 3.94 0.04 3.92 1.43 -0.75 0.19 118.68 129.41 2b36 s LEU 38 Ca 0.00 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2b36 s LEU 38 Cb -0.17 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2b36 s LEU 38 CO -0.09 -0.33 -0.10 0.42 0.23 0.00 0.00 176.35 176.48 2b36 s THR 39 N -2.35 0.73 0.27 5.49 -4.23 -0.59 -1.42 115.64 113.55 2b36 s THR 39 Ca 0.43 -1.01 0.10 0.00 -1.18 0.00 0.00 61.69 60.03 2b36 s THR 39 Cb -0.10 -0.73 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 2b36 s THR 39 CO 0.36 -0.23 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.21 2b36 s GLY 40 N -1.38 1.80 -0.05 3.99 0.00 0.24 -3.92 107.32 108.00 2b36 s GLY 40 Ca -0.05 -1.85 -0.05 0.00 0.00 0.00 0.00 44.72 42.77 2b36 s GLY 40 CO 0.01 -1.91 -0.09 0.33 0.00 0.00 0.00 173.10 171.43 2b36 n PHE 41 N -0.58 0.00 0.03 1.90 7.35 -1.25 0.13 117.46 125.05 2b36 n PHE 41 Ca -0.06 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.62 2b36 n PHE 41 Cb 0.61 -0.13 -0.00 0.00 0.35 0.00 0.00 39.48 40.30 2b36 n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2b36 n ASP 42 N -3.04 1.05 -3.41 -2.13 2.03 -1.26 -4.65 116.55 105.14 2b36 n ASP 42 Ca -0.04 0.14 -0.40 0.00 0.52 0.00 0.00 54.79 55.02 2b36 n ASP 42 Cb 0.14 -0.34 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 2b36 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b36 n ARG 43 N -3.52 4.28 -0.24 -0.67 1.74 -1.26 -4.74 116.66 112.24 2b36 n ARG 43 Ca -0.02 -3.01 0.04 0.00 -0.77 0.00 0.00 57.85 54.08 2b36 n ARG 43 Cb 0.12 -2.69 0.16 0.00 -1.02 0.00 0.00 32.46 29.03 2b36 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2b36 h LEU 44 N 6.07 0.16 -0.47 0.55 3.38 -1.94 0.70 115.31 123.76 2b36 h LEU 44 Ca 0.77 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.91 2b36 h LEU 44 Cb 0.30 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2b36 h LEU 44 CO 1.58 0.06 0.17 0.03 0.09 0.00 0.00 178.44 180.37 2b36 h ARG 45 N 0.37 0.33 -0.50 1.13 3.08 -1.99 0.15 114.38 116.96 2b36 h ARG 45 Ca 0.38 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.36 2b36 h ARG 45 Cb 0.58 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2b36 h ARG 45 CO -0.41 0.22 0.11 1.25 -1.07 0.00 0.00 179.97 180.07 2b36 h LEU 46 N 0.34 0.76 -0.90 3.04 6.46 -1.32 -2.34 115.31 121.35 2b36 h LEU 46 Ca 0.22 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2b36 h LEU 46 Cb 0.22 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2b36 h LEU 46 CO -0.22 0.80 -0.11 0.16 -0.62 0.00 0.00 178.44 178.44 2b36 h ILE 47 N 0.68 0.25 -0.48 4.05 3.07 -0.86 -2.24 117.51 121.98 2b36 h ILE 47 Ca 0.15 -0.96 0.01 0.00 1.55 0.00 0.00 64.86 65.62 2b36 h ILE 47 Cb 0.34 1.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.65 2b36 h ILE 47 CO 0.00 0.11 0.31 1.56 -1.05 0.00 0.00 178.15 179.09 2b36 h GLN 48 N 0.00 0.62 -0.32 0.16 1.08 -0.16 0.23 115.11 116.72 2b36 h GLN 48 Ca -0.00 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2b36 h GLN 48 Cb 0.77 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 2b36 h GLN 48 CO 0.01 0.41 0.08 -0.09 -0.95 0.00 0.00 178.83 178.30 2b36 h ARG 49 N 0.64 0.46 0.13 1.46 2.43 -1.11 -1.54 114.38 116.84 2b36 h ARG 49 Ca 0.18 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2b36 h ARG 49 Cb -0.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2b36 h ARG 49 CO -0.05 0.42 -0.06 0.82 -1.51 0.00 0.00 179.97 179.59 2b36 h ILE 50 N 0.45 0.43 -0.82 1.20 1.08 -1.28 -3.34 117.51 115.24 2b36 h ILE 50 Ca 0.11 -1.12 0.22 0.00 -0.39 0.00 0.00 64.86 63.68 2b36 h ILE 50 Cb 0.17 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 2b36 h ILE 50 CO -0.00 0.13 0.57 0.71 -0.69 0.00 0.00 178.15 178.87 2b36 h THR 51 N -1.00 0.63 -0.00 -0.27 1.35 -0.51 0.92 112.91 114.02 2b36 h THR 51 Ca -0.02 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 2b36 h THR 51 Cb 0.35 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.27 2b36 h THR 51 CO 0.03 0.02 -0.04 0.44 -0.25 0.00 0.00 175.52 175.72 2b36 h ASP 52 N 0.12 0.00 0.00 5.36 3.45 -1.39 -1.37 116.42 122.59 2b36 h ASP 52 Ca 0.40 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 2b36 h ASP 52 Cb 1.40 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.17 2b36 h ASP 52 CO -0.05 0.05 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 2b36 n ARG 53 N -4.48 0.95 -3.38 3.56 1.74 0.32 -4.85 116.66 110.51 2b36 n ARG 53 Ca -0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 2b36 n ARG 53 Cb 0.13 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 2b36 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2b36 s LEU 54 N -0.12 4.10 0.30 0.55 1.43 -0.52 -5.00 118.68 119.42 2b36 s LEU 54 Ca 0.00 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 2b36 s LEU 54 Cb 0.00 -3.56 0.77 0.00 0.03 0.00 0.00 46.19 43.42 2b36 s LEU 54 CO 0.00 -0.14 1.62 -0.65 0.23 0.00 0.00 176.35 177.41 2b36 h PRO 55 N 2.02 0.13 -5.30 1.29 0.11 -1.89 -3.43 132.00 124.93 2b36 h PRO 55 Ca -0.47 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 2b36 h PRO 55 Cb 1.18 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.13 2b36 h PRO 55 CO 0.67 0.09 -0.58 0.00 -0.21 0.00 0.00 178.00 177.97 2b36 s ALA 56 N -5.92 2.79 -0.07 -0.75 0.00 -1.26 -5.13 121.76 111.41 2b36 s ALA 56 Ca -0.12 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 49.86 2b36 s ALA 56 Cb 0.27 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 2b36 s ALA 56 CO 0.77 -0.24 0.32 -1.59 0.00 0.00 0.00 175.76 175.03 2b36 s LYS 57 N -3.82 3.91 -0.00 0.00 -2.85 -1.26 -4.96 119.74 110.75 2b36 s LYS 57 Ca 0.32 0.22 -0.08 0.00 -1.00 0.00 0.00 55.97 55.42 2b36 s LYS 57 Cb 0.08 -3.27 0.01 0.00 -2.06 0.00 0.00 37.83 32.58 2b36 s LYS 57 CO 0.15 0.58 0.16 0.00 0.10 0.00 0.00 175.35 176.34 2b36 s ALA 58 N -0.63 -0.40 0.12 0.59 0.00 -1.26 -4.91 121.76 115.28 2b36 s ALA 58 Ca 0.20 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.83 2b36 s ALA 58 Cb -0.15 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 2b36 s ALA 58 CO 0.09 -0.21 1.77 -2.14 0.00 0.00 0.00 175.76 175.28 2b36 s PRO 59 N -1.27 4.15 -0.41 0.00 0.02 -1.26 -4.80 135.00 131.43 2b36 s PRO 59 Ca -0.14 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.30 2b36 s PRO 59 Cb -0.07 -3.54 0.05 0.00 0.02 0.00 0.00 34.50 30.96 2b36 s PRO 59 CO 0.02 -0.80 0.26 -1.17 -0.33 0.00 0.00 177.00 174.98 2b36 s LEU 60 N 2.55 5.05 0.32 -5.54 0.20 -1.26 -1.80 118.68 118.19 2b36 s LEU 60 Ca 0.79 -1.22 0.03 0.00 0.69 0.00 0.00 54.13 54.41 2b36 s LEU 60 Cb -0.45 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.24 2b36 s LEU 60 CO 0.35 -0.49 0.49 -0.76 -0.29 0.00 0.00 176.35 175.65 2b36 s LEU 61 N 1.53 4.06 -0.29 -0.68 1.43 -0.50 -4.90 118.68 119.33 2b36 s LEU 61 Ca 0.03 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 2b36 s LEU 61 Cb -0.21 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2b36 s LEU 61 CO 0.05 -0.30 0.27 -0.70 0.23 0.00 0.00 176.35 175.90 2b36 s GLU 62 N -4.21 3.90 -0.09 1.70 2.12 -1.26 0.80 118.70 121.66 2b36 s GLU 62 Ca 0.40 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 2b36 s GLU 62 Cb -0.09 -3.68 0.04 0.00 0.26 0.00 0.00 34.13 30.65 2b36 s GLU 62 CO 0.33 -0.26 0.03 -1.17 -0.54 0.00 0.00 175.26 173.65 2b36 s LEU 63 N 1.88 0.50 -0.45 2.70 2.96 0.36 -4.88 118.68 121.75 2b36 s LEU 63 Ca 0.10 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2b36 s LEU 63 Cb -0.16 -0.35 0.12 0.00 0.50 0.00 0.00 46.19 46.30 2b36 s LEU 63 CO 0.11 -0.24 0.19 -0.62 -1.32 0.00 0.00 176.35 174.47 2b36 s ASP 64 N 2.04 4.73 0.17 3.68 -1.08 -1.26 -3.75 116.67 121.20 2b36 s ASP 64 Ca 0.04 -2.54 0.04 0.00 -0.52 0.00 0.00 52.55 49.58 2b36 s ASP 64 Cb -0.13 -1.69 0.24 0.00 -1.46 0.00 0.00 42.92 39.88 2b36 s ASP 64 CO -0.05 -0.35 0.91 1.33 0.52 0.00 0.00 175.17 177.53 2b36 n VAL 65 N 3.79 0.56 0.20 1.11 0.24 -1.26 0.11 118.33 123.07 2b36 n VAL 65 Ca 0.04 0.63 0.11 0.00 -2.04 0.00 0.00 64.34 63.08 2b36 n VAL 65 Cb 0.38 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 31.09 2b36 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b36 n GLN 66 N -1.59 0.54 -2.61 7.34 6.02 -1.26 -4.85 117.38 120.96 2b36 n GLN 66 Ca -0.00 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 2b36 n GLN 66 Cb 0.40 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 2b36 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2b36 s ASN 67 N -4.81 7.12 0.19 1.08 3.04 0.31 -4.94 114.94 116.92 2b36 s ASN 67 Ca -0.01 1.53 -0.06 0.00 0.04 0.00 0.00 52.86 54.37 2b36 s ASN 67 Cb 0.12 -2.55 0.12 0.00 -1.54 0.00 0.00 41.25 37.40 2b36 s ASN 67 CO 0.82 -0.60 1.57 -0.08 -3.04 0.00 0.00 177.10 175.77 2b36 h GLU 68 N 7.44 0.77 -0.23 0.43 4.57 -1.89 -3.12 114.58 122.55 2b36 h GLU 68 Ca -0.26 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.54 2b36 h GLU 68 Cb 1.11 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2b36 h GLU 68 CO 0.92 0.99 0.08 0.93 -1.18 0.00 0.00 179.01 180.75 2b36 h GLU 69 N 0.64 0.34 -0.58 1.92 3.07 -1.94 -2.21 114.58 115.83 2b36 h GLU 69 Ca 0.07 -0.07 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2b36 h GLU 69 Cb 0.87 -0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 28.63 2b36 h GLU 69 CO 0.08 0.41 -0.02 0.45 -1.40 0.00 0.00 179.01 178.52 2b36 h HIS 70 N 0.21 -0.07 -0.15 4.33 3.86 -1.87 -1.96 115.15 119.49 2b36 h HIS 70 Ca 0.07 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2b36 h HIS 70 Cb 0.20 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2b36 h HIS 70 CO -0.01 -0.16 0.07 -0.07 0.86 0.00 0.00 177.93 178.62 2b36 h LEU 71 N 0.10 0.20 -1.29 2.43 4.07 -1.47 -0.97 115.31 118.38 2b36 h LEU 71 Ca 0.30 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 2b36 h LEU 71 Cb 0.47 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2b36 h LEU 71 CO -0.51 0.28 0.21 0.00 -1.08 0.00 0.00 178.44 177.35 2b36 h ALA 72 N 0.93 1.44 0.00 1.53 0.00 -1.04 -2.84 119.26 119.29 2b36 h ALA 72 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2b36 h ALA 72 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2b36 h ALA 72 CO -0.01 0.43 -0.67 -1.13 0.00 0.00 0.00 179.25 177.88 2b36 n SER 73 N -4.36 0.61 -0.10 0.00 3.41 -0.77 -4.56 113.62 107.85 2b36 n SER 73 Ca 0.04 -0.34 -0.06 0.00 -0.26 0.00 0.00 58.87 58.25 2b36 n SER 73 Cb 0.14 0.45 0.01 0.00 -0.26 0.00 0.00 64.21 64.55 2b36 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2b36 h LEU 74 N 0.00 -0.02 -0.23 1.04 6.46 -0.91 -1.75 115.31 119.90 2b36 h LEU 74 Ca 0.00 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2b36 h LEU 74 Cb 0.55 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2b36 h LEU 74 CO 0.00 0.03 0.14 0.00 -0.62 0.00 0.00 178.44 177.99 2b36 h ALA 75 N 1.27 0.30 -0.45 1.25 0.00 -1.80 -1.12 119.26 118.70 2b36 h ALA 75 Ca 0.17 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2b36 h ALA 75 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2b36 h ALA 75 CO -0.23 -0.19 0.27 0.78 0.00 0.00 0.00 179.25 179.88 2b36 h GLY 76 N 0.29 0.64 1.23 0.00 0.00 -1.82 0.33 103.07 103.73 2b36 h GLY 76 Ca 0.08 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.29 2b36 h GLY 76 CO -0.02 0.18 0.33 3.21 0.00 0.00 0.00 176.54 180.24 2b36 h ARG 77 N 0.54 0.30 0.24 4.80 3.08 -0.94 0.33 114.38 122.73 2b36 h ARG 77 Ca 0.18 -0.02 -0.32 0.00 0.07 0.00 0.00 59.98 59.89 2b36 h ARG 77 Cb 0.01 -0.07 0.04 0.00 0.08 0.00 0.00 29.97 30.03 2b36 h ARG 77 CO -0.08 0.20 -1.41 0.28 -1.07 0.00 0.00 179.97 177.89 2b36 h VAL 78 N 0.31 1.30 -0.57 2.04 2.07 -0.73 -2.68 116.25 117.98 2b36 h VAL 78 Ca 0.22 -2.67 0.11 0.00 0.82 0.00 0.00 66.70 65.18 2b36 h VAL 78 Cb 0.47 3.06 -0.09 0.00 -1.52 0.00 0.00 31.29 33.21 2b36 h VAL 78 CO -0.05 0.80 0.08 0.74 0.02 0.00 0.00 177.57 179.16 2b36 h THR 79 N 0.07 0.62 0.00 2.57 2.02 -0.27 0.88 112.91 118.81 2b36 h THR 79 Ca -0.25 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 2b36 h THR 79 Cb 2.10 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2b36 h THR 79 CO 0.26 0.04 -0.29 -0.08 0.37 0.00 0.00 175.52 175.81 2b36 h GLU 80 N 0.20 0.00 0.06 6.66 4.81 -1.00 0.55 114.58 125.86 2b36 h GLU 80 Ca 0.29 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 2b36 h GLU 80 Cb 0.44 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.84 2b36 h GLU 80 CO -0.42 0.29 -0.55 0.00 -0.73 0.00 0.00 179.01 177.61 2b36 h ALA 81 N 1.71 -0.02 0.00 2.92 0.00 -1.05 -3.35 119.26 119.47 2b36 h ALA 81 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2b36 h ALA 81 Cb 0.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2b36 h ALA 81 CO 0.04 0.26 -0.60 -0.84 0.00 0.00 0.00 179.25 178.11 2b36 h ILE 82 N -0.42 0.00 -0.09 0.00 3.07 -0.83 -3.49 117.51 115.76 2b36 h ILE 82 Ca -0.09 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.48 2b36 h ILE 82 Cb 1.36 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 2b36 h ILE 82 CO 0.10 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.81 2b36 n GLY 83 N 1.21 0.90 3.45 0.16 0.00 0.19 -4.78 105.19 106.31 2b36 n GLY 83 Ca 0.02 -1.16 -0.48 0.00 0.00 0.00 0.00 46.02 44.40 2b36 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b36 n ALA 84 N 2.74 -2.33 0.00 4.61 0.00 -0.95 -0.74 120.51 123.84 2b36 n ALA 84 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2b36 n ALA 84 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2b36 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b36 n GLY 85 N 1.81 2.98 3.86 0.00 0.00 -1.26 -5.04 105.19 107.54 2b36 n GLY 85 Ca 0.16 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2b36 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b36 s ASN 86 N 0.81 6.71 0.18 1.61 0.01 0.08 -5.09 114.94 119.25 2b36 s ASN 86 Ca 0.00 1.03 0.03 0.00 -0.71 0.00 0.00 52.86 53.21 2b36 s ASN 86 Cb 0.00 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 2b36 s ASN 86 CO 0.00 -0.05 -0.02 -0.54 -1.51 0.00 0.00 177.10 174.98 2b36 s LYS 87 N -2.62 1.14 0.43 -0.60 1.02 -1.26 -4.84 119.74 113.00 2b36 s LYS 87 Ca 0.46 -1.54 -0.21 0.00 0.02 0.00 0.00 55.97 54.70 2b36 s LYS 87 Cb -0.12 -0.42 -0.11 0.00 -0.52 0.00 0.00 37.83 36.66 2b36 s LYS 87 CO 0.20 -0.07 0.94 -0.51 -0.92 0.00 0.00 175.35 174.99 2b36 s LEU 88 N -3.20 3.95 -0.02 3.17 1.43 -0.16 -4.64 118.68 119.21 2b36 s LEU 88 Ca 0.23 1.68 0.17 0.00 -1.03 0.00 0.00 54.13 55.18 2b36 s LEU 88 Cb 0.05 -4.52 -0.26 0.00 0.03 0.00 0.00 46.19 41.49 2b36 s LEU 88 CO 0.04 -0.35 0.39 0.47 0.23 0.00 0.00 176.35 177.12 2b36 n ASP 89 N -0.61 1.08 -3.75 2.29 8.00 0.97 -0.49 116.55 124.05 2b36 n ASP 89 Ca 0.07 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 2b36 n ASP 89 Cb 0.54 1.75 -0.07 0.00 -0.02 0.00 0.00 41.12 43.32 2b36 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2b36 s GLY 90 N -3.92 -0.12 -0.04 0.44 0.00 -1.06 0.30 107.32 102.92 2b36 s GLY 90 Ca -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 2b36 s GLY 90 CO 0.71 -0.30 0.01 0.14 0.00 0.00 0.00 173.10 173.66 2b36 s VAL 91 N -2.92 0.21 -0.42 1.40 1.01 -0.20 -1.71 120.40 117.77 2b36 s VAL 91 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 2b36 s VAL 91 Cb 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 36.38 36.13 2b36 s VAL 91 CO -0.06 0.19 0.26 -0.69 0.00 0.00 0.00 175.10 174.80 2b36 s VAL 92 N 1.46 4.02 -0.44 2.92 1.01 0.12 -1.20 120.40 128.30 2b36 s VAL 92 Ca -0.03 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 2b36 s VAL 92 Cb -0.13 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2b36 s VAL 92 CO -0.03 -0.58 0.81 -2.28 0.00 0.00 0.00 175.10 173.02 2b36 s HIS 93 N 1.36 3.00 -0.40 5.22 2.46 -0.43 -1.53 115.29 124.97 2b36 s HIS 93 Ca 0.04 0.27 0.11 0.00 0.47 0.00 0.00 55.06 55.95 2b36 s HIS 93 Cb -0.24 -3.67 0.40 0.00 -0.13 0.00 0.00 32.58 28.94 2b36 s HIS 93 CO 0.00 -0.96 0.91 0.45 -2.47 0.00 0.00 174.74 172.67 2b36 n SER 94 N 6.74 2.37 -4.46 9.88 2.88 -1.25 -1.99 113.62 127.79 2b36 n SER 94 Ca 0.03 -3.16 -0.32 0.00 -1.33 0.00 0.00 58.87 54.08 2b36 n SER 94 Cb 0.48 -0.55 -0.13 0.00 -0.75 0.00 0.00 64.21 63.26 2b36 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2b36 s ILE 95 N -3.57 2.94 -0.10 2.46 1.01 -1.26 -4.18 121.20 118.50 2b36 s ILE 95 Ca 0.39 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 2b36 s ILE 95 Cb 0.38 -2.14 0.06 0.00 0.01 0.00 0.00 42.46 40.77 2b36 s ILE 95 CO -0.07 0.58 0.64 -0.83 0.00 0.00 0.00 174.94 175.25 2b36 s GLY 96 N -0.76 -0.52 -0.12 6.18 0.00 -1.26 -4.70 107.32 106.14 2b36 s GLY 96 Ca 0.12 1.36 -0.29 0.00 0.00 0.00 0.00 44.72 45.90 2b36 s GLY 96 CO 0.01 1.04 0.70 -0.12 0.00 0.00 0.00 173.10 174.73 2b36 s PHE 97 N -0.83 -0.69 -0.29 1.90 5.36 -1.26 -4.96 117.98 117.21 2b36 s PHE 97 Ca -0.09 1.37 -0.15 0.00 -0.96 0.00 0.00 56.93 57.11 2b36 s PHE 97 Cb -0.02 0.37 0.10 0.00 -0.34 0.00 0.00 43.02 43.13 2b36 s PHE 97 CO 0.07 -0.53 0.73 1.41 -1.46 0.00 0.00 175.22 175.44 2b36 s MET 98 N -0.68 0.64 0.84 10.12 -2.45 -1.26 -4.33 119.30 122.17 2b36 s MET 98 Ca -0.07 1.19 -0.13 0.00 -1.25 0.00 0.00 55.69 55.43 2b36 s MET 98 Cb -0.02 0.27 0.09 0.00 1.25 0.00 0.00 34.83 36.42 2b36 s MET 98 CO 0.07 -0.15 1.09 -2.30 1.05 0.00 0.00 175.02 174.78 2b36 n PRO 99 N 4.46 0.01 0.26 4.11 -0.02 -1.26 -4.87 135.00 137.69 2b36 n PRO 99 Ca -0.18 0.08 0.18 0.00 -2.02 0.00 0.00 63.50 61.55 2b36 n PRO 99 Cb 0.57 -2.35 0.90 0.00 -0.02 0.00 0.00 33.50 32.60 2b36 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2b36 h GLN 100 N -1.15 0.00 -0.50 -0.52 1.08 -1.99 -2.13 115.11 109.91 2b36 h GLN 100 Ca -0.45 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.63 2b36 h GLN 100 Cb 1.29 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2b36 h GLN 100 CO 0.44 0.00 -0.17 1.79 -0.95 0.00 0.00 178.83 179.94 2b36 h THR 101 N 0.00 1.27 -0.57 -0.54 1.35 -1.96 -3.21 112.91 109.25 2b36 h THR 101 Ca 0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2b36 h THR 101 Cb 0.11 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2b36 h THR 101 CO 0.00 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 2b36 n GLY 102 N -0.21 1.94 3.59 5.82 0.00 -0.80 -4.26 105.19 111.27 2b36 n GLY 102 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 2b36 n GLY 102 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b36 s MET 103 N -1.43 0.51 0.00 1.61 -2.45 -1.21 -0.26 119.30 116.07 2b36 s MET 103 Ca 0.40 1.06 0.00 0.00 -1.25 0.00 0.00 55.69 55.91 2b36 s MET 103 Cb 0.23 0.40 0.00 0.00 1.25 0.00 0.00 34.83 36.71 2b36 s MET 103 CO 0.24 -0.14 0.00 0.41 1.05 0.00 0.00 175.02 176.59 2b36 n GLY 104 N 4.64 0.12 0.21 2.11 0.00 0.11 -4.59 105.19 107.79 2b36 n GLY 104 Ca -0.15 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.17 2b36 n GLY 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b36 h ILE 105 N 0.00 0.00 -3.41 -0.61 6.09 -1.87 -3.36 117.51 114.35 2b36 h ILE 105 Ca 0.00 -0.44 -0.52 0.00 -1.37 0.00 0.00 64.86 62.53 2b36 h ILE 105 Cb 0.00 1.34 0.05 0.00 0.47 0.00 0.00 36.82 38.68 2b36 h ILE 105 CO 0.00 0.00 0.72 0.21 -3.07 0.00 0.00 178.15 176.01 2b36 s ASN 106 N -5.10 6.73 0.29 2.19 2.47 -1.26 -4.93 114.94 115.33 2b36 s ASN 106 Ca 0.03 2.59 -0.30 0.00 0.42 0.00 0.00 52.86 55.60 2b36 s ASN 106 Cb 0.09 -2.62 -0.12 0.00 -1.45 0.00 0.00 41.25 37.15 2b36 s ASN 106 CO 0.50 -0.64 1.62 -2.65 -3.72 0.00 0.00 177.10 172.21 2b36 n PRO 107 N 2.35 2.75 -0.24 0.43 -0.02 -1.26 -4.72 135.00 134.28 2b36 n PRO 107 Ca 0.06 0.98 0.05 0.00 -2.02 0.00 0.00 63.50 62.57 2b36 n PRO 107 Cb 0.41 -2.78 0.16 0.00 -0.02 0.00 0.00 33.50 31.28 2b36 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2b36 h PHE 108 N 5.07 0.17 0.00 6.00 3.57 -1.91 -0.37 116.94 129.47 2b36 h PHE 108 Ca -0.47 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2b36 h PHE 108 Cb 1.22 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2b36 h PHE 108 CO 0.59 -0.12 0.00 1.19 -2.23 0.00 0.00 178.31 177.74 2b36 n PHE 109 N -5.21 0.00 0.31 0.41 3.72 -1.26 -3.23 117.46 112.20 2b36 n PHE 109 Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 2b36 n PHE 109 Cb 0.45 -0.44 0.22 0.00 -0.94 0.00 0.00 39.48 38.76 2b36 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2b36 n ASP 110 N -1.44 3.50 -4.60 4.37 8.00 -0.15 -4.86 116.55 121.37 2b36 n ASP 110 Ca 0.05 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.12 2b36 n ASP 110 Cb 0.18 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2b36 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b36 s ALA 111 N -1.50 3.28 0.63 2.24 0.00 -1.20 -4.97 121.76 120.24 2b36 s ALA 111 Ca 0.39 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2b36 s ALA 111 Cb 0.23 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2b36 s ALA 111 CO 0.32 -1.97 1.19 -1.25 0.00 0.00 0.00 175.76 174.05 2b36 s PRO 112 N 4.04 2.80 0.14 0.00 0.04 -1.26 -4.88 135.00 135.88 2b36 s PRO 112 Ca 0.44 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 2b36 s PRO 112 Cb -0.09 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2b36 s PRO 112 CO 0.26 -1.32 1.77 -0.92 0.04 0.00 0.00 177.00 176.82 2b36 h TYR 113 N 0.54 0.27 -1.53 0.56 3.20 -1.99 -2.31 116.97 115.71 2b36 h TYR 113 Ca -0.49 0.01 0.44 0.00 3.14 0.00 0.00 58.73 61.83 2b36 h TYR 113 Cb 1.29 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 2b36 h TYR 113 CO 0.48 0.15 1.18 0.00 -1.64 0.00 0.00 178.16 178.33 2b36 h ALA 114 N 1.15 3.44 0.14 1.82 0.00 -1.97 1.56 119.26 125.40 2b36 h ALA 114 Ca 0.12 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 2b36 h ALA 114 Cb 0.04 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b36 h ALA 114 CO -0.09 -1.97 -1.53 -0.44 0.00 0.00 0.00 179.25 175.22 2b36 h ASP 115 N 0.00 0.46 -0.22 0.00 3.45 -1.80 -3.14 116.42 115.18 2b36 h ASP 115 Ca 0.73 -0.89 -0.16 0.00 0.43 0.00 0.00 57.03 57.14 2b36 h ASP 115 Cb 3.09 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 41.70 2b36 h ASP 115 CO -0.01 1.68 -0.47 0.58 -1.57 0.00 0.00 179.24 179.45 2b36 h VAL 116 N -0.16 1.29 -0.83 -1.35 2.07 -0.41 -1.54 116.25 115.32 2b36 h VAL 116 Ca -0.32 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 2b36 h VAL 116 Cb 1.87 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 2b36 h VAL 116 CO 0.10 0.54 0.44 -1.28 0.02 0.00 0.00 177.57 177.38 2b36 h SER 117 N 0.62 1.05 -0.24 0.57 0.87 0.19 0.28 113.55 116.89 2b36 h SER 117 Ca 0.03 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 2b36 h SER 117 Cb 1.05 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2b36 h SER 117 CO 0.10 0.86 -0.19 0.50 -0.53 0.00 0.00 176.83 177.58 2b36 h LYS 118 N 1.16 0.69 -0.11 2.24 3.64 -1.45 0.01 116.57 122.75 2b36 h LYS 118 Ca 0.29 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2b36 h LYS 118 Cb 0.06 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2b36 h LYS 118 CO -0.04 0.83 -0.14 0.78 -2.27 0.00 0.00 179.45 178.61 2b36 h GLY 119 N 0.98 0.32 1.04 5.01 0.00 -0.79 -2.69 103.07 106.94 2b36 h GLY 119 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2b36 h GLY 119 CO 0.05 0.31 0.60 -2.22 0.00 0.00 0.00 176.54 175.28 2b36 h ILE 120 N -0.12 1.25 -0.43 2.60 2.04 -0.91 0.45 117.51 122.40 2b36 h ILE 120 Ca 0.01 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.41 2b36 h ILE 120 Cb 0.69 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2b36 h ILE 120 CO 0.03 0.26 0.19 -0.74 0.00 0.00 0.00 178.15 177.89 2b36 h HIS 121 N 1.31 0.35 0.04 1.37 2.76 -0.95 0.63 115.15 120.65 2b36 h HIS 121 Ca 0.35 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.28 2b36 h HIS 121 Cb -0.10 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 2b36 h HIS 121 CO 0.00 0.16 -1.30 0.82 -1.30 0.00 0.00 177.93 176.32 2b36 h ILE 122 N 0.39 1.38 0.09 6.26 2.04 -1.16 -1.19 117.51 125.32 2b36 h ILE 122 Ca 0.19 -3.09 -0.37 0.00 1.00 0.00 0.00 64.86 62.59 2b36 h ILE 122 Cb 0.13 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 2b36 h ILE 122 CO -0.16 0.83 -2.14 -1.20 0.00 0.00 0.00 178.15 175.48 2b36 n SER 123 N -3.32 2.08 -0.01 1.72 7.64 0.16 -4.46 113.62 117.42 2b36 n SER 123 Ca -0.08 0.11 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 2b36 n SER 123 Cb 1.00 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2b36 n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b36 n ALA 124 N -3.07 0.43 -0.34 -0.43 0.00 0.21 -4.71 120.51 112.60 2b36 n ALA 124 Ca -0.36 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 52.81 2b36 n ALA 124 Cb 1.03 0.01 0.18 0.00 0.00 0.00 0.00 19.45 20.67 2b36 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b36 h TYR 125 N -0.15 1.06 -0.43 0.00 5.03 -1.20 -2.13 116.97 119.14 2b36 h TYR 125 Ca 0.00 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.47 2b36 h TYR 125 Cb 0.15 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 2b36 h TYR 125 CO -0.06 0.49 0.40 0.66 -1.32 0.00 0.00 178.16 178.33 2b36 h SER 126 N 0.99 0.00 -0.73 -2.11 4.64 -1.43 0.34 113.55 115.24 2b36 h SER 126 Ca 0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.72 2b36 h SER 126 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2b36 h SER 126 CO -0.21 0.00 0.35 0.22 -0.87 0.00 0.00 176.83 176.31 2b36 h TYR 127 N 0.00 1.08 -0.14 4.77 3.20 -1.66 -0.46 116.97 123.75 2b36 h TYR 127 Ca 0.21 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2b36 h TYR 127 Cb 1.01 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2b36 h TYR 127 CO 0.00 0.79 -0.18 0.00 -1.64 0.00 0.00 178.16 177.13 2b36 h ALA 128 N 1.31 0.21 -0.41 1.82 0.00 -0.50 -2.83 119.26 118.86 2b36 h ALA 128 Ca 0.26 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2b36 h ALA 128 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2b36 h ALA 128 CO -0.03 0.13 -0.09 0.66 0.00 0.00 0.00 179.25 179.92 2b36 h SER 129 N -0.02 0.70 -0.44 0.00 4.64 -1.32 0.41 113.55 117.51 2b36 h SER 129 Ca 0.02 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.00 2b36 h SER 129 Cb 0.74 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2b36 h SER 129 CO 0.04 0.82 -0.26 -0.03 -0.87 0.00 0.00 176.83 176.53 2b36 h MET 130 N 0.65 0.97 -0.45 4.77 -1.53 -1.20 -1.42 114.93 116.72 2b36 h MET 130 Ca 0.12 -0.44 -0.14 0.00 -3.44 0.00 0.00 59.70 55.79 2b36 h MET 130 Cb 0.54 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.56 2b36 h MET 130 CO 0.03 1.11 -0.28 0.00 0.14 0.00 0.00 176.91 177.92 2b36 h ALA 131 N 0.86 0.65 -0.57 0.39 0.00 -1.21 -1.06 119.26 118.33 2b36 h ALA 131 Ca 0.10 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2b36 h ALA 131 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2b36 h ALA 131 CO 0.07 0.68 0.38 -0.22 0.00 0.00 0.00 179.25 180.16 2b36 h LYS 132 N 0.83 0.49 0.07 0.00 3.64 0.01 -0.02 116.57 121.59 2b36 h LYS 132 Ca 0.09 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.26 2b36 h LYS 132 Cb 0.86 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2b36 h LYS 132 CO 0.08 0.32 -0.78 0.00 -2.27 0.00 0.00 179.45 176.80 2b36 h ALA 133 N 1.70 0.00 0.00 5.00 0.00 -0.85 -3.40 119.26 121.71 2b36 h ALA 133 Ca 0.25 -0.65 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 2b36 h ALA 133 Cb 0.34 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2b36 h ALA 133 CO -0.07 0.41 -1.97 1.28 0.00 0.00 0.00 179.25 178.90 2b36 n LEU 134 N -4.12 0.53 -0.26 0.00 4.77 -0.44 -4.37 117.00 113.12 2b36 n LEU 134 Ca -0.12 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2b36 n LEU 134 Cb 0.78 0.30 0.12 0.00 -2.33 0.00 0.00 43.42 42.28 2b36 n LEU 134 CO 0.49 0.43 0.76 0.25 -1.33 0.00 0.00 177.39 177.99 2b36 h LEU 135 N 0.00 -0.56 -2.07 2.23 5.85 -1.21 0.17 115.31 119.72 2b36 h LEU 135 Ca -0.39 0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.65 2b36 h LEU 135 Cb 2.10 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 43.54 2b36 h LEU 135 CO 0.06 -0.23 0.34 -0.65 -0.34 0.00 0.00 178.44 177.62 2b36 h PRO 136 N 0.04 0.00 -0.79 5.25 0.11 -1.81 -1.12 132.00 133.68 2b36 h PRO 136 Ca 0.39 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 66.09 2b36 h PRO 136 Cb 0.64 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.50 2b36 h PRO 136 CO -0.73 0.00 0.41 0.44 -0.21 0.00 0.00 178.00 177.91 2b36 n ILE 137 N -3.91 3.00 -4.75 4.15 -5.35 0.58 -4.99 119.36 108.08 2b36 n ILE 137 Ca 0.06 -2.19 -0.32 0.00 -0.27 0.00 0.00 62.75 60.02 2b36 n ILE 137 Cb 0.50 -0.42 -0.12 0.00 -1.74 0.00 0.00 39.64 37.86 2b36 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2b36 s MET 138 N -3.28 2.46 0.48 6.28 -1.94 -0.42 -0.98 119.30 121.89 2b36 s MET 138 Ca 0.53 -0.73 -0.20 0.00 -1.71 0.00 0.00 55.69 53.57 2b36 s MET 138 Cb 0.46 -2.39 -0.09 0.00 2.01 0.00 0.00 34.83 34.82 2b36 s MET 138 CO 0.07 0.61 1.03 -0.80 -0.01 0.00 0.00 175.02 175.92 2b36 s ASN 139 N -0.99 6.41 0.32 3.03 0.02 0.36 -4.89 114.94 119.19 2b36 s ASN 139 Ca 0.13 1.90 -0.29 0.00 -1.02 0.00 0.00 52.86 53.58 2b36 s ASN 139 Cb -0.11 -2.56 -0.12 0.00 0.02 0.00 0.00 41.25 38.48 2b36 s ASN 139 CO 0.03 -0.73 1.35 -2.65 0.02 0.00 0.00 177.10 175.11 2b36 n PRO 140 N -0.94 2.18 -0.31 -0.60 -0.02 -1.26 -1.99 135.00 132.06 2b36 n PRO 140 Ca 0.09 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2b36 n PRO 140 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2b36 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b36 n GLY 141 N 1.15 0.90 3.65 -1.23 0.00 0.12 -5.02 105.19 104.75 2b36 n GLY 141 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2b36 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b36 s GLY 142 N -1.60 1.56 -0.06 -0.02 0.00 -0.84 -4.86 107.32 101.49 2b36 s GLY 142 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 2b36 s GLY 142 CO 0.00 0.20 0.13 -0.45 0.00 0.00 0.00 173.10 172.98 2b36 s SER 143 N -3.49 -0.10 -0.15 1.64 0.15 0.15 -1.98 113.70 109.92 2b36 s SER 143 Ca 0.67 0.27 -0.00 0.00 0.70 0.00 0.00 55.95 57.58 2b36 s SER 143 Cb -0.17 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2b36 s SER 143 CO 0.58 -0.13 -0.13 -0.63 1.20 0.00 0.00 173.24 174.13 2b36 s ILE 144 N 0.96 2.91 -0.04 6.45 1.01 0.22 -1.03 121.20 131.67 2b36 s ILE 144 Ca -0.07 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2b36 s ILE 144 Cb -0.10 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.16 2b36 s ILE 144 CO -0.05 0.51 -0.05 0.54 0.00 0.00 0.00 174.94 175.89 2b36 s VAL 145 N 0.68 0.56 0.37 2.92 0.11 -0.34 -0.94 120.40 123.76 2b36 s VAL 145 Ca -0.07 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 2b36 s VAL 145 Cb -0.15 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2b36 s VAL 145 CO 0.02 0.22 0.40 -0.83 -3.33 0.00 0.00 175.10 171.58 2b36 s GLY 146 N 0.78 1.86 -0.10 6.54 0.00 -0.56 -1.32 107.32 114.53 2b36 s GLY 146 Ca -0.11 -1.68 -0.13 0.00 0.00 0.00 0.00 44.72 42.81 2b36 s GLY 146 CO 0.00 -1.55 0.31 1.06 0.00 0.00 0.00 173.10 172.92 2b36 s MET 147 N -4.13 3.97 0.22 2.90 -1.94 -0.84 -0.71 119.30 118.77 2b36 s MET 147 Ca 0.46 0.17 0.04 0.00 -1.71 0.00 0.00 55.69 54.65 2b36 s MET 147 Cb -0.07 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.42 2b36 s MET 147 CO 0.29 0.50 -0.02 0.34 -0.01 0.00 0.00 175.02 176.12 2b36 s ASP 148 N -0.37 1.86 -0.12 3.03 2.15 0.67 -4.84 116.67 119.06 2b36 s ASP 148 Ca 0.19 -1.19 -0.02 0.00 0.43 0.00 0.00 52.55 51.96 2b36 s ASP 148 Cb -0.14 0.00 0.04 0.00 -0.30 0.00 0.00 42.92 42.52 2b36 s ASP 148 CO 0.07 -0.48 0.03 0.12 -0.17 0.00 0.00 175.17 174.75 2b36 s PHE 149 N -3.39 0.59 -0.49 -5.34 2.19 -1.26 -2.02 117.98 108.25 2b36 s PHE 149 Ca 0.27 -0.31 -0.43 0.00 0.33 0.00 0.00 56.93 56.79 2b36 s PHE 149 Cb 0.05 -0.79 -0.18 0.00 -1.31 0.00 0.00 43.02 40.78 2b36 s PHE 149 CO 0.08 -0.41 2.15 -3.47 1.83 0.00 0.00 175.22 175.39 2b36 n ASP 150 N 5.17 0.85 -1.35 6.13 2.03 -1.26 -4.85 116.55 123.27 2b36 n ASP 150 Ca -0.07 0.66 0.12 0.00 0.52 0.00 0.00 54.79 56.01 2b36 n ASP 150 Cb 0.49 -0.93 0.32 0.00 -0.72 0.00 0.00 41.12 40.29 2b36 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2b36 n PRO 151 N 7.56 2.69 -0.26 -0.67 -0.04 -1.26 -4.61 135.00 138.41 2b36 n PRO 151 Ca 0.54 -2.63 0.25 0.00 -0.04 0.00 0.00 63.50 61.62 2b36 n PRO 151 Cb -0.02 -1.57 0.60 0.00 -0.04 0.00 0.00 33.50 32.48 2b36 n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2b36 h SER 152 N 4.29 0.25 -4.30 3.54 0.02 -1.95 -3.39 113.55 112.01 2b36 h SER 152 Ca 0.00 0.04 -0.48 0.00 -0.84 0.00 0.00 61.79 60.50 2b36 h SER 152 Cb 0.98 -0.01 -0.25 0.00 0.14 0.00 0.00 62.40 63.26 2b36 h SER 152 CO 0.00 0.07 -0.81 -0.13 -1.14 0.00 0.00 176.83 174.82 2b36 s ARG 153 N -5.25 1.07 0.99 3.45 0.52 -1.26 -5.14 118.95 113.32 2b36 s ARG 153 Ca -0.07 -0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 54.22 2b36 s ARG 153 Cb 0.23 -1.10 0.18 0.00 0.52 0.00 0.00 34.95 34.78 2b36 s ARG 153 CO 0.79 0.28 1.13 0.00 0.02 0.00 0.00 175.30 177.51 2b36 s ALA 154 N -0.80 1.29 0.01 2.13 0.00 -1.26 -5.08 121.76 118.04 2b36 s ALA 154 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 2b36 s ALA 154 Cb -0.08 -3.03 0.10 0.00 0.00 0.00 0.00 23.12 20.11 2b36 s ALA 154 CO 0.01 -2.71 0.98 0.00 0.00 0.00 0.00 175.76 174.04 2b36 s MET 155 N -5.21 0.81 0.67 0.00 0.23 -1.26 -5.14 119.30 109.40 2b36 s MET 155 Ca 0.66 -0.35 -0.13 0.00 -1.03 0.00 0.00 55.69 54.83 2b36 s MET 155 Cb -0.15 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 2b36 s MET 155 CO 0.55 -0.36 1.08 -1.25 -2.03 0.00 0.00 175.02 173.01 2b36 s PRO 156 N -3.01 2.88 0.00 3.16 0.04 -1.26 -4.06 135.00 132.74 2b36 s PRO 156 Ca 0.08 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2b36 s PRO 156 Cb -0.01 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2b36 s PRO 156 CO -0.05 -1.16 0.00 0.00 0.04 0.00 0.00 177.00 175.82 2b36 n ALA 157 N -2.66 0.00 0.30 8.56 0.00 -1.26 -4.55 120.51 120.90 2b36 n ALA 157 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.69 2b36 n ALA 157 Cb 0.53 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.91 2b36 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b36 h TYR 158 N 0.00 0.00 0.00 0.00 3.20 -1.87 0.31 116.97 118.61 2b36 h TYR 158 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2b36 h TYR 158 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2b36 h TYR 158 CO 0.00 0.03 0.00 0.09 -1.64 0.00 0.00 178.16 176.64 2b36 n ASN 159 N -3.63 0.00 0.27 -2.11 3.02 -1.26 -0.21 115.26 111.34 2b36 n ASN 159 Ca -0.03 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.69 2b36 n ASN 159 Cb 0.12 0.00 0.69 0.00 -0.61 0.00 0.00 39.78 39.98 2b36 n ASN 159 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2b36 h TRP 160 N 0.00 0.00 0.00 3.10 4.06 -0.93 -2.41 115.95 119.78 2b36 h TRP 160 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 2b36 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2b36 h TRP 160 CO 0.00 0.03 -0.41 1.98 -3.56 0.00 0.00 178.44 176.48 2b36 h MET 161 N 0.00 0.00 -0.57 0.49 4.05 -0.74 0.19 114.93 118.35 2b36 h MET 161 Ca -0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 2b36 h MET 161 Cb 0.51 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2b36 h MET 161 CO 0.00 0.41 0.14 1.15 0.23 0.00 0.00 176.91 178.84 2b36 h THR 162 N 0.00 1.25 -0.23 -0.77 2.02 -0.94 -0.13 112.91 114.11 2b36 h THR 162 Ca -0.00 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 2b36 h THR 162 Cb 0.74 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2b36 h THR 162 CO 0.05 0.33 -0.26 0.58 0.37 0.00 0.00 175.52 176.59 2b36 h VAL 163 N 0.81 1.27 -0.39 3.16 2.07 -1.23 -0.93 116.25 121.01 2b36 h VAL 163 Ca 0.18 -1.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 2b36 h VAL 163 Cb 0.35 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2b36 h VAL 163 CO 0.00 0.40 -0.25 0.00 0.02 0.00 0.00 177.57 177.74 2b36 h ALA 164 N 1.33 0.83 -0.05 1.67 0.00 -0.31 -2.78 119.26 119.95 2b36 h ALA 164 Ca 0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2b36 h ALA 164 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2b36 h ALA 164 CO 0.05 0.64 -0.69 0.87 0.00 0.00 0.00 179.25 180.12 2b36 h LYS 165 N 0.68 0.24 -0.42 0.00 1.79 -0.84 -0.15 116.57 117.88 2b36 h LYS 165 Ca 0.09 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2b36 h LYS 165 Cb 0.77 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2b36 h LYS 165 CO 0.06 0.83 0.17 0.77 -1.08 0.00 0.00 179.45 180.21 2b36 h SER 166 N 0.17 0.53 -0.19 0.86 0.02 -1.14 -2.29 113.55 111.51 2b36 h SER 166 Ca -0.02 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2b36 h SER 166 Cb 1.23 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2b36 h SER 166 CO 0.11 0.48 -0.40 0.00 -1.14 0.00 0.00 176.83 175.88 2b36 h ALA 167 N 1.60 0.30 -0.44 3.77 0.00 -1.10 -3.13 119.26 120.27 2b36 h ALA 167 Ca 0.15 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2b36 h ALA 167 Cb 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2b36 h ALA 167 CO -0.02 0.40 0.16 1.25 0.00 0.00 0.00 179.25 181.04 2b36 h LEU 168 N 0.27 0.18 -0.35 0.00 6.46 -0.54 0.81 115.31 122.13 2b36 h LEU 168 Ca 0.00 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 2b36 h LEU 168 Cb 1.00 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 2b36 h LEU 168 CO 0.09 0.14 0.10 -0.33 -0.62 0.00 0.00 178.44 177.81 2b36 h GLU 169 N 0.34 0.22 -0.69 1.25 5.08 -1.51 0.46 114.58 119.73 2b36 h GLU 169 Ca 0.21 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2b36 h GLU 169 Cb 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2b36 h GLU 169 CO -0.21 0.15 0.19 1.03 -1.00 0.00 0.00 179.01 179.18 2b36 h SER 170 N 0.23 1.03 -0.88 1.42 0.87 -1.28 -2.07 113.55 112.87 2b36 h SER 170 Ca 0.16 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2b36 h SER 170 Cb 0.16 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 2b36 h SER 170 CO -0.19 0.98 0.48 0.58 -0.53 0.00 0.00 176.83 178.15 2b36 h VAL 171 N 1.03 1.26 -0.16 2.23 2.07 -0.25 -2.88 116.25 119.54 2b36 h VAL 171 Ca 0.22 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2b36 h VAL 171 Cb 0.34 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2b36 h VAL 171 CO -0.00 0.29 -0.10 -1.13 0.02 0.00 0.00 177.57 176.64 2b36 h ASN 172 N 1.23 0.23 0.12 0.57 -1.24 0.57 0.39 115.58 117.46 2b36 h ASN 172 Ca 0.31 -0.04 -0.13 0.00 0.71 0.00 0.00 56.30 57.15 2b36 h ASN 172 Cb 0.03 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2b36 h ASN 172 CO -0.05 0.37 -0.45 0.03 -1.29 0.00 0.00 177.43 176.04 2b36 h ARG 173 N 0.24 0.40 0.06 6.67 3.08 -1.22 -2.32 114.38 121.29 2b36 h ARG 173 Ca 0.05 -0.21 -0.26 0.00 0.07 0.00 0.00 59.98 59.63 2b36 h ARG 173 Cb 0.34 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.41 2b36 h ARG 173 CO 0.02 0.77 -1.11 0.74 -1.07 0.00 0.00 179.97 179.32 2b36 h PHE 174 N 0.33 0.76 -0.47 3.04 -1.00 -1.15 -3.00 116.94 115.44 2b36 h PHE 174 Ca 0.02 -0.46 0.02 0.00 2.81 0.00 0.00 57.97 60.36 2b36 h PHE 174 Cb 0.92 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.38 2b36 h PHE 174 CO 0.03 1.31 0.31 0.28 -1.61 0.00 0.00 178.31 178.63 2b36 h VAL 175 N 0.23 1.07 -0.31 -0.55 2.07 -0.23 -1.66 116.25 116.87 2b36 h VAL 175 Ca -0.13 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2b36 h VAL 175 Cb 1.77 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2b36 h VAL 175 CO 0.20 0.10 0.03 0.00 0.02 0.00 0.00 177.57 177.92 2b36 h ALA 176 N 1.72 1.47 0.33 1.67 0.00 -1.30 1.01 119.26 124.17 2b36 h ALA 176 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2b36 h ALA 176 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2b36 h ALA 176 CO -0.04 0.38 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 2b36 h ARG 177 N 0.46 -0.42 -0.19 0.00 3.08 -1.18 -1.51 114.38 114.61 2b36 h ARG 177 Ca 0.10 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2b36 h ARG 177 Cb 0.25 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2b36 h ARG 177 CO 0.00 -0.15 0.12 0.93 -1.07 0.00 0.00 179.97 179.80 2b36 h GLU 178 N -0.66 0.25 -0.44 0.04 4.39 -0.97 -2.88 114.58 114.31 2b36 h GLU 178 Ca -0.04 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.67 2b36 h GLU 178 Cb 0.47 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2b36 h GLU 178 CO 0.07 0.20 0.29 0.00 -1.16 0.00 0.00 179.01 178.42 2b36 h ALA 179 N 1.04 1.86 -0.82 3.43 0.00 0.11 -2.06 119.26 122.80 2b36 h ALA 179 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2b36 h ALA 179 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2b36 h ALA 179 CO -0.01 0.08 0.54 0.78 0.00 0.00 0.00 179.25 180.64 2b36 h GLY 180 N 0.44 1.16 1.89 0.00 0.00 -1.04 0.11 103.07 105.63 2b36 h GLY 180 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2b36 h GLY 180 CO -0.04 0.39 0.05 0.50 0.00 0.00 0.00 176.54 177.44 2b36 h LYS 181 N 1.07 0.00 -0.34 4.80 1.57 -1.40 0.26 116.57 122.53 2b36 h LYS 181 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2b36 h LYS 181 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2b36 h LYS 181 CO -0.08 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.46 2b36 n TYR 182 N -2.79 0.45 -3.63 -1.35 4.02 -0.73 -4.97 117.16 108.16 2b36 n TYR 182 Ca -0.02 -0.38 -0.24 0.00 -0.01 0.00 0.00 57.90 57.25 2b36 n TYR 182 Cb 0.11 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 39.48 2b36 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b36 n GLY 183 N 0.81 -0.50 3.40 2.72 0.00 0.92 -4.03 105.19 108.51 2b36 n GLY 183 Ca 0.13 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 2b36 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b36 s VAL 184 N -3.34 2.49 0.16 1.61 1.01 0.29 0.11 120.40 122.73 2b36 s VAL 184 Ca 0.49 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2b36 s VAL 184 Cb -0.22 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2b36 s VAL 184 CO 0.75 0.37 0.31 -0.13 0.00 0.00 0.00 175.10 176.40 2b36 s ARG 185 N -1.28 3.46 -0.06 2.72 0.52 -0.84 -3.21 118.95 120.26 2b36 s ARG 185 Ca 0.13 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 2b36 s ARG 185 Cb -0.10 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.47 2b36 s ARG 185 CO 0.03 0.49 0.11 0.45 0.02 0.00 0.00 175.30 176.41 2b36 s SER 186 N -3.23 0.84 0.15 0.23 0.15 -1.25 -0.61 113.70 109.98 2b36 s SER 186 Ca 0.35 0.21 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 2b36 s SER 186 Cb -0.11 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 2b36 s SER 186 CO 0.29 -0.24 0.15 0.20 1.20 0.00 0.00 173.24 174.84 2b36 s ASN 187 N 2.13 0.19 -0.03 5.45 0.01 -0.11 0.10 114.94 122.68 2b36 s ASN 187 Ca 0.03 -1.12 0.06 0.00 -0.71 0.00 0.00 52.86 51.12 2b36 s ASN 187 Cb -0.12 0.36 -0.01 0.00 0.41 0.00 0.00 41.25 41.89 2b36 s ASN 187 CO -0.04 -0.81 -0.21 -0.76 -1.51 0.00 0.00 177.10 173.77 2b36 s LEU 188 N -3.04 2.01 -0.40 0.60 1.02 -0.64 -1.50 118.68 116.73 2b36 s LEU 188 Ca 0.24 -0.40 -0.13 0.00 0.02 0.00 0.00 54.13 53.85 2b36 s LEU 188 Cb 0.06 -1.11 0.02 0.00 0.02 0.00 0.00 46.19 45.18 2b36 s LEU 188 CO 0.03 0.22 0.26 -0.69 0.02 0.00 0.00 176.35 176.19 2b36 s VAL 189 N -0.25 4.98 -0.72 -1.59 1.01 0.11 -0.67 120.40 123.27 2b36 s VAL 189 Ca 0.02 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 2b36 s VAL 189 Cb -0.11 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2b36 s VAL 189 CO 0.01 -0.28 1.02 0.00 0.00 0.00 0.00 175.10 175.85 2b36 s ALA 190 N 1.63 3.13 0.19 5.51 0.00 -0.09 -0.24 121.76 131.89 2b36 s ALA 190 Ca 0.04 -2.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.95 2b36 s ALA 190 Cb -0.19 -3.93 -0.06 0.00 0.00 0.00 0.00 23.12 18.94 2b36 s ALA 190 CO 0.09 -2.86 0.44 0.00 0.00 0.00 0.00 175.76 173.43 2b36 s ALA 191 N 3.92 3.73 0.90 0.00 0.00 -0.86 -1.20 121.76 128.26 2b36 s ALA 191 Ca 0.25 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2b36 s ALA 191 Cb -0.14 -2.19 0.13 0.00 0.00 0.00 0.00 23.12 20.92 2b36 s ALA 191 CO 0.06 0.54 1.14 0.20 0.00 0.00 0.00 175.76 177.70 2b36 s GLY 192 N -2.65 1.58 0.31 0.00 0.00 -0.54 -4.74 107.32 101.29 2b36 s GLY 192 Ca 0.42 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 2b36 s GLY 192 CO 0.26 0.00 1.56 -1.55 0.00 0.00 0.00 173.10 173.37 2b36 n PRO 193 N -3.73 2.66 -4.58 2.90 -0.04 -1.26 -5.00 135.00 125.95 2b36 n PRO 193 Ca 0.07 0.94 -0.22 0.00 -0.04 0.00 0.00 63.50 64.25 2b36 n PRO 193 Cb 0.59 -2.71 -0.15 0.00 -0.04 0.00 0.00 33.50 31.20 2b36 n PRO 193 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2b36 s ILE 194 N -0.30 1.04 -0.11 0.52 -1.09 -1.26 -4.35 121.20 115.65 2b36 s ILE 194 Ca 0.61 -0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 2b36 s ILE 194 Cb -0.50 -0.89 -0.03 0.00 -1.58 0.00 0.00 42.46 39.47 2b36 s ILE 194 CO 0.53 0.30 1.29 -0.13 -1.23 0.00 0.00 174.94 175.69 2b36 s ARG 195 N -0.11 4.27 0.00 2.79 1.81 -0.34 -4.90 118.95 122.48 2b36 s ARG 195 Ca 0.01 1.73 0.00 0.00 -1.72 0.00 0.00 55.73 55.76 2b36 s ARG 195 Cb -0.07 -3.70 0.00 0.00 -0.45 0.00 0.00 34.95 30.73 2b36 s ARG 195 CO 0.00 -0.63 0.00 2.41 -0.68 0.00 0.00 175.30 176.41 2b36 n THR 196 N 5.08 0.00 0.00 0.02 -1.04 -1.26 -4.89 114.28 112.20 2b36 n THR 196 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2b36 n THR 196 Cb 0.45 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 2b36 n THR 196 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2b36 n LEU 197 N -1.06 0.00 -1.30 -4.42 4.32 -1.26 -4.90 117.00 108.37 2b36 n LEU 197 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 2b36 n LEU 197 Cb 0.00 0.00 0.22 0.00 -1.62 0.00 0.00 43.42 42.02 2b36 n LEU 197 CO 0.00 0.00 0.62 0.00 -1.22 0.00 0.00 177.39 176.79 2b36 n ALA 198 N -3.00 3.34 -0.49 -1.18 0.00 -1.26 -5.24 120.51 112.68 2b36 n ALA 198 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2b36 n ALA 198 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2b36 n ALA 198 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2b36 n MET 199 N 0.29 0.00 0.00 0.00 0.00 -1.26 -5.19 117.12 110.96 2b36 n MET 199 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.87 2b36 n MET 199 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.02 2b36 n MET 199 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2b36 n GLU 220 N 13.55 0.00 0.26 0.03 2.13 -1.26 -5.10 120.64 130.25 2b36 n GLU 220 Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 2b36 n GLU 220 Cb 0.00 0.00 0.65 0.00 0.27 0.00 0.00 31.44 32.36 2b36 n GLU 220 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2b36 h GLY 221 N 0.00 0.00 1.22 8.31 0.00 -2.02 -2.57 103.07 108.01 2b36 h GLY 221 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2b36 h GLY 221 CO 0.00 0.00 0.06 -0.25 0.00 0.00 0.00 176.54 176.35 2b36 h TRP 222 N 0.00 1.01 0.00 5.60 2.91 -1.98 0.15 115.95 123.64 2b36 h TRP 222 Ca -0.00 -0.14 -0.12 0.00 1.13 0.00 0.00 58.89 59.76 2b36 h TRP 222 Cb 0.53 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 2b36 h TRP 222 CO 0.00 0.88 -0.57 0.22 -1.03 0.00 0.00 178.44 177.93 2b36 h ASP 223 N 0.89 0.00 0.05 2.65 3.58 -1.73 -0.94 116.42 120.92 2b36 h ASP 223 Ca 0.18 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.40 2b36 h ASP 223 Cb 0.43 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.50 2b36 h ASP 223 CO 0.01 0.57 -0.92 1.56 -2.88 0.00 0.00 179.24 177.58 2b36 h GLN 224 N 0.00 0.54 -0.07 0.28 4.20 -1.27 -3.36 115.11 115.42 2b36 h GLN 224 Ca -0.01 -0.64 -0.02 0.00 0.06 0.00 0.00 58.65 58.05 2b36 h GLN 224 Cb 1.14 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 2b36 h GLN 224 CO 0.07 1.26 -0.02 0.00 -0.67 0.00 0.00 178.83 179.47 2b36 h ARG 225 N 0.10 0.14 -5.80 1.46 3.08 -0.71 -3.43 114.38 109.22 2b36 h ARG 225 Ca -0.13 -0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.25 2b36 h ARG 225 Cb 1.62 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 2b36 h ARG 225 CO 0.18 0.47 1.50 0.00 -1.07 0.00 0.00 179.97 181.05 2b36 n ALA 226 N -2.31 0.96 -0.26 0.04 0.00 -0.36 -4.59 120.51 113.98 2b36 n ALA 226 Ca -0.07 -0.24 0.30 0.00 0.00 0.00 0.00 53.44 53.43 2b36 n ALA 226 Cb 0.23 -2.63 0.69 0.00 0.00 0.00 0.00 19.45 17.73 2b36 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2b36 h PRO 227 N 13.61 0.09 -0.34 0.00 0.11 -1.73 0.25 132.00 143.99 2b36 h PRO 227 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2b36 h PRO 227 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2b36 h PRO 227 CO 1.09 0.06 0.00 0.44 -0.21 0.00 0.00 178.00 179.37 2b36 n ILE 228 N -4.31 1.82 -1.11 4.15 -5.35 -1.25 -5.09 119.36 108.23 2b36 n ILE 228 Ca 0.22 -1.49 0.14 0.00 -0.27 0.00 0.00 62.75 61.35 2b36 n ILE 228 Cb 1.04 0.04 -0.07 0.00 -1.74 0.00 0.00 39.64 38.92 2b36 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b36 n GLY 229 N 0.06 -3.04 2.89 3.28 0.00 0.89 -5.01 105.19 104.27 2b36 n GLY 229 Ca 0.19 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 2b36 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2b36 s TRP 230 N -3.74 0.37 -0.35 1.61 -0.11 -1.26 -4.64 118.94 110.82 2b36 s TRP 230 Ca 0.00 -0.06 0.03 0.00 1.22 0.00 0.00 56.10 57.30 2b36 s TRP 230 Cb 0.00 -0.32 0.10 0.00 -1.50 0.00 0.00 33.47 31.75 2b36 s TRP 230 CO 0.00 -0.06 0.07 1.21 -4.62 0.00 0.00 176.95 173.55 2b36 s ASN 231 N 0.38 4.61 0.00 5.86 2.47 -1.26 -4.64 114.94 122.35 2b36 s ASN 231 Ca -0.04 -2.14 0.08 0.00 0.42 0.00 0.00 52.86 51.18 2b36 s ASN 231 Cb -0.07 -1.50 0.38 0.00 -1.45 0.00 0.00 41.25 38.61 2b36 s ASN 231 CO -0.01 -0.37 1.16 1.15 -3.72 0.00 0.00 177.10 175.31 2b36 n MET 232 N 4.26 0.08 0.01 0.43 0.00 -1.26 -1.66 117.12 118.97 2b36 n MET 232 Ca 0.03 0.26 0.12 0.00 0.00 0.00 0.00 57.70 58.11 2b36 n MET 232 Cb 0.41 -1.50 0.16 0.00 0.00 0.00 0.00 33.22 32.29 2b36 n MET 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2b36 n LYS 233 N -1.35 0.04 -4.07 3.17 5.02 -1.26 -1.20 118.16 118.51 2b36 n LYS 233 Ca 0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 2b36 n LYS 233 Cb 0.07 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 2b36 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2b36 s ASP 234 N -3.15 3.77 0.00 4.39 2.15 -0.67 -4.95 116.67 118.21 2b36 s ASP 234 Ca 0.10 -0.50 0.19 0.00 0.43 0.00 0.00 52.55 52.77 2b36 s ASP 234 Cb 0.17 -1.62 0.19 0.00 -0.30 0.00 0.00 42.92 41.36 2b36 s ASP 234 CO 0.74 0.00 1.14 0.00 -0.17 0.00 0.00 175.17 176.88 2b36 n ALA 235 N 4.63 2.45 -0.10 3.66 0.00 -1.26 -4.66 120.51 125.23 2b36 n ALA 235 Ca -0.19 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 2b36 n ALA 235 Cb 0.51 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 2b36 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2b36 h THR 236 N 3.71 1.23 -0.98 0.00 2.02 -1.95 -2.35 112.91 114.59 2b36 h THR 236 Ca 0.00 -0.78 0.11 0.00 0.77 0.00 0.00 66.41 66.51 2b36 h THR 236 Cb 0.80 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 2b36 h THR 236 CO 0.00 0.26 0.61 -0.65 0.37 0.00 0.00 175.52 176.11 2b36 h PRO 237 N 0.31 0.95 -0.14 6.66 0.11 -1.99 -1.08 132.00 136.82 2b36 h PRO 237 Ca 0.09 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2b36 h PRO 237 Cb 0.33 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2b36 h PRO 237 CO 0.00 0.63 0.06 0.28 -0.21 0.00 0.00 178.00 178.77 2b36 h VAL 238 N 0.98 1.14 -0.72 3.15 2.07 -1.85 -2.53 116.25 118.50 2b36 h VAL 238 Ca 0.48 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.68 2b36 h VAL 238 Cb 0.45 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 2b36 h VAL 238 CO -0.26 0.13 0.34 0.00 0.02 0.00 0.00 177.57 177.80 2b36 h ALA 239 N 0.91 1.00 -0.50 1.67 0.00 -0.87 -2.29 119.26 119.18 2b36 h ALA 239 Ca 0.05 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2b36 h ALA 239 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2b36 h ALA 239 CO -0.00 -0.09 0.05 0.87 0.00 0.00 0.00 179.25 180.07 2b36 h LYS 240 N 0.56 0.81 -0.53 0.00 1.57 -1.01 -1.40 116.57 116.57 2b36 h LYS 240 Ca 0.37 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 2b36 h LYS 240 Cb 0.43 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2b36 h LYS 240 CO -0.30 0.78 -0.08 1.15 -0.57 0.00 0.00 179.45 180.43 2b36 h THR 241 N 0.76 1.26 -0.44 -0.16 2.02 -1.05 -0.06 112.91 115.23 2b36 h THR 241 Ca 0.16 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 2b36 h THR 241 Cb 0.39 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2b36 h THR 241 CO 0.01 0.43 -0.04 0.58 0.37 0.00 0.00 175.52 176.87 2b36 h VAL 242 N 0.86 1.24 -0.64 3.16 2.07 -1.14 -2.22 116.25 119.58 2b36 h VAL 242 Ca 0.14 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 2b36 h VAL 242 Cb 0.62 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2b36 h VAL 242 CO 0.04 0.36 0.15 0.00 0.02 0.00 0.00 177.57 178.13 2b36 h ALA 244 N 1.19 1.18 -0.24 0.00 0.00 -0.82 0.13 119.26 120.70 2b36 h ALA 244 Ca 0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2b36 h ALA 244 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b36 h ALA 244 CO 0.00 0.52 -0.31 -0.07 0.00 0.00 0.00 179.25 179.40 2b36 h LEU 245 N 0.43 0.68 -1.61 0.00 -0.00 -1.15 -2.98 115.31 110.69 2b36 h LEU 245 Ca 0.07 -0.50 -0.04 0.00 -0.00 0.00 0.00 57.88 57.41 2b36 h LEU 245 Cb 0.58 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 2b36 h LEU 245 CO 0.04 1.05 -0.20 -0.07 -0.00 0.00 0.00 178.44 179.25 2b36 h LEU 246 N 0.33 0.00 0.00 1.67 3.38 -0.94 -3.45 115.31 116.30 2b36 h LEU 246 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2b36 h LEU 246 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2b36 h LEU 246 CO 0.07 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 2b36 n SER 247 N -3.78 -0.25 -0.52 -0.43 3.41 0.43 -4.74 113.62 107.73 2b36 n SER 247 Ca -0.02 -0.17 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 2b36 n SER 247 Cb 0.31 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.41 2b36 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2b36 n ASP 248 N -0.88 2.96 -1.84 4.04 8.00 -1.26 -4.58 116.55 122.99 2b36 n ASP 248 Ca 0.00 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.06 2b36 n ASP 248 Cb 0.00 -0.31 0.32 0.00 -0.02 0.00 0.00 41.12 41.12 2b36 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2b36 n TRP 249 N -0.23 2.09 -2.69 1.24 7.02 -1.26 -4.14 117.44 119.46 2b36 n TRP 249 Ca 0.13 -0.89 -0.07 0.00 -1.02 0.00 0.00 57.50 55.65 2b36 n TRP 249 Cb 0.56 -0.57 0.08 0.00 -2.42 0.00 0.00 31.31 28.96 2b36 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2b36 n LEU 250 N 0.22 -0.28 0.00 -0.99 4.77 -1.26 -5.00 117.00 114.46 2b36 n LEU 250 Ca 0.32 -3.52 0.09 0.00 -0.03 0.00 0.00 56.01 52.87 2b36 n LEU 250 Cb 1.21 0.22 0.48 0.00 -2.33 0.00 0.00 43.42 43.01 2b36 n LEU 250 CO 0.35 1.69 0.80 -0.81 -1.33 0.00 0.00 177.39 178.09 2b36 n PRO 251 N -0.44 0.26 -0.02 3.23 -0.04 -1.26 -3.20 135.00 133.54 2b36 n PRO 251 Ca 0.02 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 2b36 n PRO 251 Cb 0.84 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 2b36 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b36 n ALA 252 N -1.30 2.13 -3.57 0.55 0.00 -1.26 -4.96 120.51 112.10 2b36 n ALA 252 Ca 0.09 -0.90 -0.35 0.00 0.00 0.00 0.00 53.44 52.28 2b36 n ALA 252 Cb 0.16 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 2b36 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b36 s THR 253 N -0.79 3.16 0.00 0.00 -1.32 -1.19 -5.09 115.64 110.41 2b36 s THR 253 Ca 0.03 -0.95 -0.08 0.00 -1.21 0.00 0.00 61.69 59.48 2b36 s THR 253 Cb 0.02 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 2b36 s THR 253 CO 0.02 0.15 0.15 0.28 -2.21 0.00 0.00 174.62 173.02 2b36 s THR 254 N 1.37 0.08 -1.41 5.08 -1.32 -1.26 -4.71 115.64 113.47 2b36 s THR 254 Ca 0.01 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 2b36 s THR 254 Cb -0.17 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2b36 s THR 254 CO -0.02 -0.38 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 2b36 n GLY 255 N 1.40 0.51 1.47 6.08 0.00 0.28 -4.94 105.19 110.00 2b36 n GLY 255 Ca -0.23 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 2b36 n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b36 n ASP 256 N -0.66 2.43 -3.65 1.61 -0.08 -1.24 -4.62 116.55 110.33 2b36 n ASP 256 Ca -0.17 -1.87 -0.23 0.00 -1.51 0.00 0.00 54.79 51.01 2b36 n ASP 256 Cb 0.57 0.12 -0.18 0.00 2.34 0.00 0.00 41.12 43.97 2b36 n ASP 256 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2b36 s ILE 257 N -1.63 -0.06 -0.16 5.18 1.01 -1.26 -1.62 121.20 122.66 2b36 s ILE 257 Ca 0.02 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 2b36 s ILE 257 Cb -0.00 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 2b36 s ILE 257 CO 0.01 -0.00 0.24 -0.63 0.00 0.00 0.00 174.94 174.56 2b36 s ILE 258 N 2.14 5.34 -0.38 2.92 1.09 0.16 -4.91 121.20 127.55 2b36 s ILE 258 Ca 0.04 0.44 -0.17 0.00 -1.10 0.00 0.00 60.65 59.85 2b36 s ILE 258 Cb -0.14 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 2b36 s ILE 258 CO -0.06 0.44 0.47 -0.31 -0.10 0.00 0.00 174.94 175.38 2b36 s TYR 259 N 0.17 3.17 -0.89 3.97 1.51 -1.26 -0.91 117.35 123.12 2b36 s TYR 259 Ca 0.15 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2b36 s TYR 259 Cb -0.13 -2.90 0.25 0.00 -0.11 0.00 0.00 41.96 39.08 2b36 s TYR 259 CO 0.03 -0.59 0.95 0.00 -1.11 0.00 0.00 175.55 174.83 2b36 n ALA 260 N 5.67 4.21 -1.23 3.71 0.00 -0.34 -4.72 120.51 127.81 2b36 n ALA 260 Ca -0.06 -4.69 0.01 0.00 0.00 0.00 0.00 53.44 48.69 2b36 n ALA 260 Cb 0.48 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.26 2b36 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2b36 n ASP 261 N 1.73 0.46 -1.31 0.00 5.75 -1.26 -1.46 116.55 120.46 2b36 n ASP 261 Ca 0.25 -1.66 -0.14 0.00 -0.01 0.00 0.00 54.79 53.22 2b36 n ASP 261 Cb 0.37 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 2b36 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b36 n GLY 262 N -0.20 0.72 2.56 6.12 0.00 -1.26 -2.83 105.19 110.30 2b36 n GLY 262 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2b36 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b36 n GLY 263 N -1.15 0.40 0.36 -0.02 0.00 -1.26 -2.32 105.19 101.21 2b36 n GLY 263 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 2b36 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b36 h ALA 264 N 0.00 1.63 0.00 4.61 0.00 -1.77 -0.30 119.26 123.43 2b36 h ALA 264 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b36 h ALA 264 Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2b36 h ALA 264 CO 0.00 0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.06 2b36 n HIS 265 N -4.52 0.00 0.40 0.00 1.44 -1.26 -2.63 115.22 108.66 2b36 n HIS 265 Ca 0.15 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.90 2b36 n HIS 265 Cb 0.29 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.40 2b36 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2b36 n THR 266 N -0.93 0.00 -4.68 0.61 -2.24 -0.12 -4.98 114.28 101.94 2b36 n THR 266 Ca 0.10 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 2b36 n THR 266 Cb 0.04 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 2b36 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2b36 s GLN 267 N -1.29 1.86 -0.20 -0.78 -1.52 -1.08 -5.05 119.66 111.60 2b36 s GLN 267 Ca 0.07 -1.09 -0.17 0.00 -1.95 0.00 0.00 55.36 52.22 2b36 s GLN 267 Cb 0.07 -2.07 -0.13 0.00 -0.22 0.00 0.00 33.01 30.66 2b36 s GLN 267 CO 0.23 0.51 -0.01 -0.11 -0.25 0.00 0.00 175.29 175.67 2b36 n LEU 268 N 1.47 1.87 -0.01 2.90 7.94 -1.26 -4.96 117.00 124.94 2b36 n LEU 268 Ca -0.17 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 2b36 n LEU 268 Cb 0.52 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.57 2b36 n LEU 268 CO 0.25 0.10 0.26 -0.11 -1.11 0.00 0.00 177.39 176.77