#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 1.88 0.36 3.38 0.00 -1.26 -4.99 107.32 106.69 2b36 s GLY 3 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 44.72 44.42 2b36 s GLY 3 CO 0.00 -0.22 1.91 -2.00 0.00 0.00 0.00 173.10 172.79 2b36 h LEU 4 N 1.39 0.67 -3.66 0.66 6.46 -1.91 -3.05 115.31 115.86 2b36 h LEU 4 Ca -0.47 0.02 -0.46 0.00 -0.12 0.00 0.00 57.88 56.85 2b36 h LEU 4 Cb 1.19 -0.12 -0.30 0.00 -0.73 0.00 0.00 40.66 40.70 2b36 h LEU 4 CO 0.65 0.39 -0.28 0.18 -0.62 0.00 0.00 178.44 178.76 2b36 n LEU 5 N -4.51 5.18 -4.74 2.25 7.99 -0.84 -4.76 117.00 117.56 2b36 n LEU 5 Ca 0.14 -4.38 -0.42 0.00 -0.01 0.00 0.00 56.01 51.35 2b36 n LEU 5 Cb 0.34 -0.55 -0.02 0.00 -0.11 0.00 0.00 43.42 43.08 2b36 n LEU 5 CO 0.32 1.74 1.25 -1.81 -1.51 0.00 0.00 177.39 177.38 2b36 s ASP 6 N -2.96 6.40 -0.76 -1.43 1.01 -1.16 -2.17 116.67 115.61 2b36 s ASP 6 Ca 0.52 2.91 0.00 0.00 0.71 0.00 0.00 52.55 56.68 2b36 s ASP 6 Cb 0.43 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.73 2b36 s ASP 6 CO 0.01 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.10 2b36 n GLY 7 N 2.46 0.83 3.83 0.21 0.00 -1.19 -4.99 105.19 106.35 2b36 n GLY 7 Ca 0.09 -0.20 -0.36 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 -2.27 3.70 -0.40 1.61 1.02 -0.92 -4.93 119.74 117.54 2b36 s LYS 8 Ca 0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 55.97 55.73 2b36 s LYS 8 Cb 0.00 -3.27 0.05 0.00 -0.52 0.00 0.00 37.83 34.09 2b36 s LYS 8 CO 0.00 0.61 0.25 1.03 -0.92 0.00 0.00 175.35 176.33 2b36 s ARG 9 N -0.55 2.78 -0.13 1.68 0.52 -1.26 -0.11 118.95 121.88 2b36 s ARG 9 Ca 0.13 -1.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.11 2b36 s ARG 9 Cb -0.12 -3.81 -0.01 0.00 0.52 0.00 0.00 34.95 31.53 2b36 s ARG 9 CO 0.02 -0.83 -0.17 0.42 0.02 0.00 0.00 175.30 174.76 2b36 s ILE 10 N 1.53 2.68 0.12 1.52 1.01 -0.37 0.11 121.20 127.80 2b36 s ILE 10 Ca 0.03 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 2b36 s ILE 10 Cb -0.21 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.09 2b36 s ILE 10 CO 0.05 0.53 0.67 -0.22 0.00 0.00 0.00 174.94 175.98 2b36 s LEU 11 N 0.44 4.55 -0.17 2.97 0.20 -0.19 -1.96 118.68 124.53 2b36 s LEU 11 Ca -0.12 1.44 -0.02 0.00 0.69 0.00 0.00 54.13 56.12 2b36 s LEU 11 Cb -0.16 -3.12 0.05 0.00 -0.43 0.00 0.00 46.19 42.53 2b36 s LEU 11 CO 0.06 0.23 0.02 -0.69 -0.29 0.00 0.00 176.35 175.68 2b36 s VAL 12 N -1.15 0.53 0.51 1.68 1.01 0.22 -1.00 120.40 122.19 2b36 s VAL 12 Ca 0.33 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.97 2b36 s VAL 12 Cb -0.21 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.27 2b36 s VAL 12 CO 0.22 -0.09 0.61 -0.94 0.00 0.00 0.00 175.10 174.91 2b36 s SER 13 N 1.87 5.15 0.00 3.32 1.04 -0.91 -2.08 113.70 122.09 2b36 s SER 13 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2b36 s SER 13 Cb -0.16 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2b36 s SER 13 CO -0.07 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2b36 n GLY 14 N -1.97 1.65 3.75 7.32 0.00 -1.26 -4.14 105.19 110.54 2b36 n GLY 14 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 3.31 0.00 -0.61 1.01 -1.26 -4.70 121.20 116.62 2b36 s ILE 15 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.82 2b36 s ILE 15 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2b36 s ILE 15 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.16 2b36 n ILE 16 N 1.99 0.00 -4.27 2.92 0.13 -1.26 -4.73 119.36 114.14 2b36 n ILE 16 Ca 0.03 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.52 2b36 n ILE 16 Cb 0.44 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.14 2b36 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2b36 s THR 17 N -1.00 0.18 -1.18 9.51 -4.23 -1.26 -4.60 115.64 113.06 2b36 s THR 17 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 2b36 s THR 17 Cb 0.00 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.55 2b36 s THR 17 CO 0.00 0.00 1.62 -0.90 -0.54 0.00 0.00 174.62 174.80 2b36 n ASP 18 N -0.65 0.00 0.04 3.99 5.75 -1.26 -2.41 116.55 122.00 2b36 n ASP 18 Ca 0.02 0.29 0.12 0.00 -0.01 0.00 0.00 54.79 55.21 2b36 n ASP 18 Cb 0.65 -0.41 0.10 0.00 -1.03 0.00 0.00 41.12 40.43 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 -1.41 0.64 -4.68 -1.12 7.64 -1.26 -4.82 113.62 108.61 2b36 n SER 19 Ca 0.07 -0.09 -0.45 0.00 1.01 0.00 0.00 58.87 59.41 2b36 n SER 19 Cb 0.20 0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.98 2.95 -0.35 6.43 7.64 -1.01 -4.73 113.62 122.57 2b36 n SER 20 Ca 0.03 1.12 0.11 0.00 1.01 0.00 0.00 58.87 61.14 2b36 n SER 20 Cb 0.43 -1.44 0.30 0.00 -1.01 0.00 0.00 64.21 62.48 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 3.24 0.79 0.00 0.44 2.04 -1.90 0.12 117.51 122.24 2b36 h ILE 21 Ca -0.45 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2b36 h ILE 21 Cb 1.26 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2b36 h ILE 21 CO 0.80 0.15 -0.12 0.00 0.00 0.00 0.00 178.15 178.99 2b36 h ALA 22 N 1.60 1.67 -0.20 1.87 0.00 -1.85 -0.96 119.26 121.39 2b36 h ALA 22 Ca 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2b36 h ALA 22 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2b36 h ALA 22 CO -0.32 0.15 0.03 0.35 0.00 0.00 0.00 179.25 179.45 2b36 h PHE 23 N 0.00 0.36 -0.04 0.00 3.57 -1.03 -1.31 116.94 118.49 2b36 h PHE 23 Ca -0.00 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 2b36 h PHE 23 Cb 0.23 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2b36 h PHE 23 CO 0.00 0.49 -0.44 0.45 -2.23 0.00 0.00 178.31 176.58 2b36 h HIS 24 N 0.13 0.10 -0.52 0.41 3.86 -1.34 0.77 115.15 118.55 2b36 h HIS 24 Ca 0.06 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 2b36 h HIS 24 Cb 0.33 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2b36 h HIS 24 CO 0.02 0.51 -0.09 0.82 0.86 0.00 0.00 177.93 180.05 2b36 h ILE 25 N 0.07 1.26 -0.21 2.45 2.04 -1.13 0.15 117.51 122.15 2b36 h ILE 25 Ca 0.00 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2b36 h ILE 25 Cb 0.81 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2b36 h ILE 25 CO 0.06 0.43 -0.08 0.00 0.00 0.00 0.00 178.15 178.56 2b36 h ALA 26 N 1.02 0.29 -0.28 1.87 0.00 -0.73 -2.24 119.26 119.19 2b36 h ALA 26 Ca 0.14 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2b36 h ALA 26 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2b36 h ALA 26 CO 0.04 0.10 0.14 -0.09 0.00 0.00 0.00 179.25 179.45 2b36 h ARG 27 N 0.13 0.29 -0.31 0.00 2.43 -0.63 -1.09 114.38 115.21 2b36 h ARG 27 Ca 0.05 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 2b36 h ARG 27 Cb 0.55 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2b36 h ARG 27 CO 0.03 0.19 -0.39 0.28 -1.51 0.00 0.00 179.97 178.57 2b36 h VAL 28 N 0.30 1.29 -1.00 0.20 2.07 -0.75 -1.38 116.25 116.98 2b36 h VAL 28 Ca 0.12 -1.57 0.09 0.00 0.82 0.00 0.00 66.70 66.16 2b36 h VAL 28 Cb 0.03 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 2b36 h VAL 28 CO -0.08 0.51 0.64 0.00 0.02 0.00 0.00 177.57 178.66 2b36 h ALA 29 N 0.71 1.45 -0.20 1.67 0.00 -1.11 -0.58 119.26 121.19 2b36 h ALA 29 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2b36 h ALA 29 Cb 0.98 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2b36 h ALA 29 CO 0.09 0.33 -0.45 1.96 0.00 0.00 0.00 179.25 181.18 2b36 h GLN 30 N 1.08 0.67 -0.43 0.00 4.20 -0.96 -1.77 115.11 117.89 2b36 h GLN 30 Ca 0.46 -0.44 0.13 0.00 0.06 0.00 0.00 58.65 58.86 2b36 h GLN 30 Cb 0.33 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2b36 h GLN 30 CO -0.22 1.06 0.34 0.93 -0.67 0.00 0.00 178.83 180.27 2b36 h GLU 31 N 0.36 0.00 -0.77 1.46 5.08 -0.78 0.20 114.58 120.14 2b36 h GLU 31 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2b36 h GLU 31 Cb 1.06 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 2b36 h GLU 31 CO 0.10 0.00 0.23 1.04 -1.00 0.00 0.00 179.01 179.38 2b36 n GLN 32 N -4.24 3.60 -3.34 2.33 1.13 -0.27 -4.88 117.38 111.70 2b36 n GLN 32 Ca 0.07 -2.78 -0.16 0.00 -1.94 0.00 0.00 57.00 52.19 2b36 n GLN 32 Cb 0.53 -2.14 0.08 0.00 0.11 0.00 0.00 30.24 28.82 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 -0.03 -0.58 3.57 1.08 0.00 0.71 -1.98 105.19 107.96 2b36 n GLY 33 Ca 0.36 0.23 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.36 2.94 -0.18 4.61 0.00 -0.73 -3.17 121.76 121.88 2b36 s ALA 34 Ca 0.14 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 2b36 s ALA 34 Cb -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 2b36 s ALA 34 CO 0.72 0.62 0.58 -1.14 0.00 0.00 0.00 175.76 176.54 2b36 s GLN 35 N -1.74 4.23 0.27 0.00 0.74 0.84 -4.53 119.66 119.47 2b36 s GLN 35 Ca 0.19 0.54 0.08 0.00 0.05 0.00 0.00 55.36 56.22 2b36 s GLN 35 Cb -0.11 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 2b36 s GLN 35 CO 0.10 -0.14 0.11 -0.51 -0.55 0.00 0.00 175.29 174.30 2b36 s LEU 36 N 1.59 3.49 -0.16 3.68 1.43 -1.26 -1.24 118.68 126.21 2b36 s LEU 36 Ca 0.27 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2b36 s LEU 36 Cb -0.16 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2b36 s LEU 36 CO 0.11 -0.06 0.09 -0.69 0.23 0.00 0.00 176.35 176.02 2b36 s VAL 37 N -2.25 -0.07 0.21 -1.59 1.01 -0.83 -4.19 120.40 112.69 2b36 s VAL 37 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2b36 s VAL 37 Cb -0.07 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2b36 s VAL 37 CO 0.23 -0.26 0.42 -0.76 0.00 0.00 0.00 175.10 174.73 2b36 s LEU 38 N 2.13 4.20 0.15 3.92 1.43 0.18 -0.61 118.68 130.08 2b36 s LEU 38 Ca 0.02 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 2b36 s LEU 38 Cb -0.16 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2b36 s LEU 38 CO -0.09 -0.06 -0.17 0.42 0.23 0.00 0.00 176.35 176.69 2b36 s THR 39 N -1.88 1.65 0.09 5.49 -4.23 -0.88 -0.56 115.64 115.32 2b36 s THR 39 Ca 0.40 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2b36 s THR 39 Cb -0.11 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 2b36 s THR 39 CO 0.28 -0.33 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.14 2b36 s GLY 40 N -2.54 0.71 -0.00 3.99 0.00 0.32 -4.15 107.32 105.65 2b36 s GLY 40 Ca 0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 44.72 43.60 2b36 s GLY 40 CO 0.05 -1.34 -0.00 0.33 0.00 0.00 0.00 173.10 172.14 2b36 n PHE 41 N 0.23 0.00 0.03 1.90 7.35 -1.26 -0.01 117.46 125.70 2b36 n PHE 41 Ca -0.14 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.54 2b36 n PHE 41 Cb 0.60 -0.08 -0.00 0.00 0.35 0.00 0.00 39.48 40.35 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 -2.46 0.94 -3.75 -2.13 2.03 -1.26 -4.57 116.55 105.35 2b36 n ASP 42 Ca -0.00 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.01 2b36 n ASP 42 Cb 0.01 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -3.36 3.14 -0.16 -0.67 1.74 -1.26 -4.75 116.66 111.34 2b36 n ARG 43 Ca -0.01 -2.89 -0.07 0.00 -0.77 0.00 0.00 57.85 54.11 2b36 n ARG 43 Cb 0.05 -3.15 0.02 0.00 -1.02 0.00 0.00 32.46 28.35 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 9.18 0.57 -0.35 0.55 3.38 -1.94 -0.28 115.31 126.42 2b36 h LEU 44 Ca 0.53 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.54 2b36 h LEU 44 Cb 0.62 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2b36 h LEU 44 CO 1.80 0.44 -0.13 0.03 0.09 0.00 0.00 178.44 180.67 2b36 h ARG 45 N 0.66 -0.06 -0.97 1.13 3.08 -1.99 0.38 114.38 116.61 2b36 h ARG 45 Ca 0.18 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.24 2b36 h ARG 45 Cb -0.05 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 2b36 h ARG 45 CO -0.04 -0.04 0.63 1.25 -1.07 0.00 0.00 179.97 180.71 2b36 h LEU 46 N -0.06 1.12 -0.18 3.04 6.46 -1.70 -1.84 115.31 122.14 2b36 h LEU 46 Ca 0.17 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2b36 h LEU 46 Cb 0.33 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2b36 h LEU 46 CO -0.39 0.82 0.00 0.16 -0.62 0.00 0.00 178.44 178.40 2b36 h ILE 47 N 1.31 0.00 -0.60 4.05 3.07 -0.31 -2.84 117.51 122.20 2b36 h ILE 47 Ca 0.35 -0.78 -0.05 0.00 1.55 0.00 0.00 64.86 65.94 2b36 h ILE 47 Cb -0.14 1.76 -0.03 0.00 -0.27 0.00 0.00 36.82 38.15 2b36 h ILE 47 CO -0.08 0.00 0.19 1.56 -1.05 0.00 0.00 178.15 178.78 2b36 h GLN 48 N 0.00 0.92 -0.46 0.16 1.08 0.57 0.91 115.11 118.30 2b36 h GLN 48 Ca 0.00 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 2b36 h GLN 48 Cb 0.85 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 2b36 h GLN 48 CO 0.00 0.82 0.05 -0.09 -0.95 0.00 0.00 178.83 178.66 2b36 h ARG 49 N 0.84 0.72 0.02 1.46 2.43 -1.24 -1.51 114.38 117.11 2b36 h ARG 49 Ca 0.19 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2b36 h ARG 49 Cb 0.28 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2b36 h ARG 49 CO -0.01 0.70 -0.31 0.82 -1.51 0.00 0.00 179.97 179.66 2b36 h ILE 50 N 0.69 1.58 0.00 1.20 1.08 -1.39 -3.28 117.51 117.39 2b36 h ILE 50 Ca 0.15 -2.12 -0.03 0.00 -0.39 0.00 0.00 64.86 62.47 2b36 h ILE 50 Cb 0.35 2.94 -0.00 0.00 -3.07 0.00 0.00 36.82 37.04 2b36 h ILE 50 CO 0.01 0.58 -0.14 0.71 -0.69 0.00 0.00 178.15 178.62 2b36 h THR 51 N -0.55 0.86 -0.29 -0.27 1.35 -0.75 -0.62 112.91 112.64 2b36 h THR 51 Ca -0.05 -0.51 0.08 0.00 -0.55 0.00 0.00 66.41 65.39 2b36 h THR 51 Cb 1.12 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 2b36 h THR 51 CO 0.06 0.13 0.23 0.44 -0.25 0.00 0.00 175.52 176.14 2b36 h ASP 52 N 0.00 0.00 -0.21 5.36 3.45 -1.33 -1.77 116.42 121.93 2b36 h ASP 52 Ca -0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 2b36 h ASP 52 Cb 0.28 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 2b36 h ASP 52 CO 0.02 0.00 0.06 0.54 -1.57 0.00 0.00 179.24 178.29 2b36 n ARG 53 N -4.19 1.85 -4.32 3.56 1.74 -0.24 -4.86 116.66 110.20 2b36 n ARG 53 Ca 0.04 -0.88 -0.34 0.00 -0.77 0.00 0.00 57.85 55.89 2b36 n ARG 53 Cb 0.39 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.84 3.62 0.27 0.55 1.43 -0.67 -5.01 118.68 118.04 2b36 s LEU 54 Ca 0.16 0.13 0.17 0.00 -1.03 0.00 0.00 54.13 53.56 2b36 s LEU 54 Cb 0.12 -1.90 0.96 0.00 0.03 0.00 0.00 46.19 45.40 2b36 s LEU 54 CO 0.04 0.35 1.07 -2.65 0.23 0.00 0.00 176.35 175.40 2b36 n PRO 55 N 1.92 -0.03 -4.19 1.29 -0.02 -1.26 -4.41 135.00 128.30 2b36 n PRO 55 Ca -0.17 0.91 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 2b36 n PRO 55 Cb 0.53 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 32.22 2b36 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b36 s ALA 56 N -4.92 1.08 0.24 3.55 0.00 -1.26 -5.09 121.76 115.36 2b36 s ALA 56 Ca -0.06 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 2b36 s ALA 56 Cb 0.22 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 2b36 s ALA 56 CO 0.54 -0.22 1.00 -1.59 0.00 0.00 0.00 175.76 175.49 2b36 s LYS 57 N -3.83 4.77 -0.14 0.00 -2.85 -1.26 -4.99 119.74 111.44 2b36 s LYS 57 Ca 0.14 1.59 -0.16 0.00 -1.00 0.00 0.00 55.97 56.54 2b36 s LYS 57 Cb 0.05 -3.26 0.04 0.00 -2.06 0.00 0.00 37.83 32.60 2b36 s LYS 57 CO -0.03 0.38 0.43 0.00 0.10 0.00 0.00 175.35 176.23 2b36 s ALA 58 N -1.02 -1.06 0.35 0.59 0.00 -1.26 -4.88 121.76 114.47 2b36 s ALA 58 Ca 0.43 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 2b36 s ALA 58 Cb -0.28 -0.60 -0.12 0.00 0.00 0.00 0.00 23.12 22.13 2b36 s ALA 58 CO 0.35 -0.22 1.21 -2.30 0.00 0.00 0.00 175.76 174.80 2b36 n PRO 59 N 2.60 1.90 -4.01 0.00 -0.02 -1.26 -4.72 135.00 129.49 2b36 n PRO 59 Ca -0.14 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 2b36 n PRO 59 Cb 0.57 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 2b36 n PRO 59 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b36 s LEU 60 N -0.78 3.30 0.42 2.45 0.20 -1.26 -0.65 118.68 122.37 2b36 s LEU 60 Ca 0.57 -1.14 0.08 0.00 0.69 0.00 0.00 54.13 54.33 2b36 s LEU 60 Cb -0.59 -1.61 -0.00 0.00 -0.43 0.00 0.00 46.19 43.57 2b36 s LEU 60 CO 0.61 -0.16 0.49 -0.76 -0.29 0.00 0.00 176.35 176.24 2b36 s LEU 61 N 1.22 3.56 -0.16 -0.68 1.43 0.27 -4.95 118.68 119.36 2b36 s LEU 61 Ca -0.04 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2b36 s LEU 61 Cb -0.18 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2b36 s LEU 61 CO -0.05 -0.72 0.02 -0.70 0.23 0.00 0.00 176.35 175.14 2b36 s GLU 62 N -4.26 3.76 -0.27 1.70 2.12 -1.26 -0.52 118.70 119.96 2b36 s GLU 62 Ca 0.52 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2b36 s GLU 62 Cb -0.07 -3.07 0.15 0.00 0.26 0.00 0.00 34.13 31.39 2b36 s GLU 62 CO 0.31 0.32 0.37 -1.17 -0.54 0.00 0.00 175.26 174.55 2b36 s LEU 63 N 0.19 -0.61 -0.57 2.70 2.96 0.99 -4.86 118.68 119.48 2b36 s LEU 63 Ca 0.02 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 2b36 s LEU 63 Cb -0.13 0.96 0.14 0.00 0.50 0.00 0.00 46.19 47.67 2b36 s LEU 63 CO 0.01 -0.35 0.49 -0.62 -1.32 0.00 0.00 176.35 174.57 2b36 s ASP 64 N 2.50 6.07 0.30 3.68 2.15 -1.26 -4.20 116.67 125.91 2b36 s ASP 64 Ca 0.10 -2.04 0.09 0.00 0.43 0.00 0.00 52.55 51.13 2b36 s ASP 64 Cb -0.14 -2.12 0.48 0.00 -0.30 0.00 0.00 42.92 40.84 2b36 s ASP 64 CO -0.26 -0.73 1.11 1.33 -0.17 0.00 0.00 175.17 176.45 2b36 n VAL 65 N 4.82 0.48 0.14 1.11 0.24 -1.26 0.19 118.33 124.05 2b36 n VAL 65 Ca -0.06 0.72 0.09 0.00 -2.04 0.00 0.00 64.34 63.05 2b36 n VAL 65 Cb 0.41 -1.72 0.05 0.00 -1.47 0.00 0.00 33.84 31.11 2b36 n VAL 65 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2b36 h GLN 66 N 0.00 0.00 -6.25 7.34 4.20 -1.93 -3.46 115.11 115.01 2b36 h GLN 66 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2b36 h GLN 66 Cb 0.81 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 2b36 h GLN 66 CO 0.00 0.12 0.90 1.21 -0.67 0.00 0.00 178.83 180.39 2b36 s ASN 67 N -5.88 6.86 0.27 1.46 3.04 0.49 -4.93 114.94 116.26 2b36 s ASN 67 Ca 0.02 1.33 0.04 0.00 0.04 0.00 0.00 52.86 54.29 2b36 s ASN 67 Cb 0.08 -2.54 0.37 0.00 -1.54 0.00 0.00 41.25 37.61 2b36 s ASN 67 CO 0.75 -0.89 1.66 -0.08 -3.04 0.00 0.00 177.10 175.50 2b36 h GLU 68 N 8.47 0.36 0.55 0.43 4.57 -1.89 -2.83 114.58 124.24 2b36 h GLU 68 Ca -0.24 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 2b36 h GLU 68 Cb 1.09 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2b36 h GLU 68 CO 1.01 0.71 -0.32 0.93 -1.18 0.00 0.00 179.01 180.16 2b36 h GLU 69 N 0.30 -0.77 -0.98 1.92 3.07 -1.95 -1.65 114.58 114.52 2b36 h GLU 69 Ca 0.03 0.05 0.13 0.00 -0.50 0.00 0.00 59.36 59.07 2b36 h GLU 69 Cb 0.84 0.18 -0.15 0.00 -0.84 0.00 0.00 28.75 28.78 2b36 h GLU 69 CO 0.07 -0.52 -0.43 0.72 -1.40 0.00 0.00 179.01 177.45 2b36 n HIS 70 N -4.34 -0.10 0.15 4.33 8.25 -1.21 -0.65 115.22 121.65 2b36 n HIS 70 Ca -0.10 1.21 -0.16 0.00 -0.26 0.00 0.00 57.72 58.41 2b36 n HIS 70 Cb 0.33 -0.79 -0.09 0.00 1.12 0.00 0.00 29.99 30.56 2b36 n HIS 70 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2b36 h LEU 71 N 0.00 -1.49 -1.63 2.41 4.07 -1.52 0.12 115.31 117.27 2b36 h LEU 71 Ca 0.29 0.15 0.19 0.00 0.08 0.00 0.00 57.88 58.59 2b36 h LEU 71 Cb 0.53 0.54 -0.05 0.00 1.08 0.00 0.00 40.66 42.76 2b36 h LEU 71 CO -0.96 -0.57 0.55 0.00 -1.08 0.00 0.00 178.44 176.39 2b36 h ALA 72 N -0.53 2.28 0.00 1.53 0.00 0.12 -1.75 119.26 120.91 2b36 h ALA 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b36 h ALA 72 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2b36 h ALA 72 CO -0.24 -0.52 -0.90 -1.13 0.00 0.00 0.00 179.25 176.46 2b36 n SER 73 N -4.46 0.70 -0.11 0.00 3.41 -0.03 -4.65 113.62 108.48 2b36 n SER 73 Ca 0.17 -0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 58.18 2b36 n SER 73 Cb 0.67 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 65.35 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 -1.18 -0.70 1.04 6.46 0.18 -2.19 115.31 118.91 2b36 h LEU 74 Ca 0.00 0.20 0.12 0.00 -0.12 0.00 0.00 57.88 58.08 2b36 h LEU 74 Cb 0.59 0.54 -0.09 0.00 -0.73 0.00 0.00 40.66 40.97 2b36 h LEU 74 CO 0.00 -0.34 0.27 0.00 -0.62 0.00 0.00 178.44 177.75 2b36 h ALA 75 N 0.62 0.96 -0.23 1.25 0.00 -1.82 -1.67 119.26 118.37 2b36 h ALA 75 Ca 0.16 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2b36 h ALA 75 Cb 0.56 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2b36 h ALA 75 CO -0.53 -0.20 -0.54 0.78 0.00 0.00 0.00 179.25 178.75 2b36 h GLY 76 N 0.43 0.75 2.00 0.00 0.00 -1.75 0.10 103.07 104.60 2b36 h GLY 76 Ca 0.38 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2b36 h GLY 76 CO -0.37 0.78 -0.22 3.21 0.00 0.00 0.00 176.54 179.94 2b36 h ARG 77 N 0.53 0.00 0.09 4.80 3.08 -0.97 -2.10 114.38 119.82 2b36 h ARG 77 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 2b36 h ARG 77 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.18 2b36 h ARG 77 CO 0.11 0.22 -0.61 0.28 -1.07 0.00 0.00 179.97 178.90 2b36 h VAL 78 N 0.00 1.56 -0.56 2.04 2.07 -0.86 -2.55 116.25 117.95 2b36 h VAL 78 Ca -0.00 -2.47 0.11 0.00 0.82 0.00 0.00 66.70 65.16 2b36 h VAL 78 Cb 0.57 3.22 -0.11 0.00 -1.52 0.00 0.00 31.29 33.45 2b36 h VAL 78 CO 0.03 0.68 -0.26 0.74 0.02 0.00 0.00 177.57 178.77 2b36 h THR 79 N -0.57 0.26 -0.96 2.57 2.02 -0.68 0.18 112.91 115.73 2b36 h THR 79 Ca -0.11 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.13 2b36 h THR 79 Cb 1.45 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 2b36 h THR 79 CO 0.09 0.00 0.62 -0.08 0.37 0.00 0.00 175.52 176.52 2b36 h GLU 80 N -0.12 1.10 -0.22 6.66 4.81 -1.47 0.73 114.58 126.06 2b36 h GLU 80 Ca 0.25 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 2b36 h GLU 80 Cb 0.51 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2b36 h GLU 80 CO -0.64 0.73 -0.60 0.00 -0.73 0.00 0.00 179.01 177.77 2b36 h ALA 81 N 1.43 0.52 -0.00 2.92 0.00 -0.34 -3.26 119.26 120.53 2b36 h ALA 81 Ca 0.41 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2b36 h ALA 81 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2b36 h ALA 81 CO -0.17 0.69 -0.60 0.44 0.00 0.00 0.00 179.25 179.62 2b36 n ILE 82 N -3.97 0.00 -0.25 0.00 -5.35 0.37 -4.99 119.36 105.18 2b36 n ILE 82 Ca -0.04 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2b36 n ILE 82 Cb 0.65 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 2b36 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b36 n GLY 83 N 1.47 -0.41 3.37 3.28 0.00 0.25 -4.67 105.19 108.47 2b36 n GLY 83 Ca 0.07 -0.97 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 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 1.97 -2.71 0.00 4.61 0.00 -1.14 -0.73 120.51 122.52 2b36 n ALA 84 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2b36 n ALA 84 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.10 2.45 3.89 0.00 0.00 -1.26 -5.03 105.19 107.34 2b36 n GLY 85 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.05 6.48 0.24 1.61 0.01 0.09 -5.11 114.94 116.21 2b36 s ASN 86 Ca 0.00 0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.73 2b36 s ASN 86 Cb 0.00 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.53 2b36 s ASN 86 CO 0.00 0.21 -0.04 -0.54 -1.51 0.00 0.00 177.10 175.23 2b36 s LYS 87 N -1.97 1.40 0.47 -0.60 1.02 -1.26 -4.85 119.74 113.95 2b36 s LYS 87 Ca 0.30 -1.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.41 2b36 s LYS 87 Cb -0.13 -0.85 -0.09 0.00 -0.52 0.00 0.00 37.83 36.24 2b36 s LYS 87 CO 0.19 -0.02 0.95 -0.51 -0.92 0.00 0.00 175.35 175.03 2b36 s LEU 88 N -3.35 3.78 0.00 3.17 1.43 -0.15 -4.64 118.68 118.92 2b36 s LEU 88 Ca 0.28 1.58 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 2b36 s LEU 88 Cb 0.05 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 2b36 s LEU 88 CO 0.09 -0.47 0.30 0.47 0.23 0.00 0.00 176.35 176.97 2b36 n ASP 89 N -1.14 0.38 -3.57 2.29 8.00 0.30 -1.14 116.55 121.68 2b36 n ASP 89 Ca 0.06 -0.69 -0.15 0.00 0.71 0.00 0.00 54.79 54.73 2b36 n ASP 89 Cb 0.54 0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 42.52 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 -1.53 -0.46 -0.05 0.44 0.00 -1.17 -1.80 107.32 102.75 2b36 s GLY 90 Ca 0.03 1.74 0.00 0.00 0.00 0.00 0.00 44.72 46.49 2b36 s GLY 90 CO 0.25 1.21 -0.03 0.14 0.00 0.00 0.00 173.10 174.68 2b36 s VAL 91 N -0.73 0.44 -0.28 1.40 1.01 -0.33 -1.02 120.40 120.90 2b36 s VAL 91 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2b36 s VAL 91 Cb -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.90 2b36 s VAL 91 CO 0.05 0.22 -0.02 -0.69 0.00 0.00 0.00 175.10 174.66 2b36 s VAL 92 N 1.13 3.01 -0.31 2.92 1.01 -0.17 -1.41 120.40 126.57 2b36 s VAL 92 Ca -0.08 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 2b36 s VAL 92 Cb -0.14 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2b36 s VAL 92 CO -0.01 0.03 0.46 -2.28 0.00 0.00 0.00 175.10 173.30 2b36 s HIS 93 N 1.30 3.22 -0.33 5.22 2.46 -0.57 -2.15 115.29 124.44 2b36 s HIS 93 Ca -0.03 0.32 0.17 0.00 0.47 0.00 0.00 55.06 55.99 2b36 s HIS 93 Cb -0.18 -2.76 0.46 0.00 -0.13 0.00 0.00 32.58 29.96 2b36 s HIS 93 CO -0.02 -0.39 0.98 0.45 -2.47 0.00 0.00 174.74 173.28 2b36 n SER 94 N 5.55 1.77 -4.55 9.88 2.88 -1.26 -2.04 113.62 125.85 2b36 n SER 94 Ca -0.06 -2.77 -0.34 0.00 -1.33 0.00 0.00 58.87 54.38 2b36 n SER 94 Cb 0.50 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 63.32 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 -3.39 3.64 -0.17 2.46 1.01 -1.26 -4.14 121.20 119.35 2b36 s ILE 95 Ca 0.29 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 2b36 s ILE 95 Cb 0.45 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 40.48 2b36 s ILE 95 CO 0.01 0.58 0.65 -0.83 0.00 0.00 0.00 174.94 175.36 2b36 s GLY 96 N -0.56 -0.51 -0.15 6.18 0.00 -1.26 -4.65 107.32 106.37 2b36 s GLY 96 Ca 0.08 1.60 -0.29 0.00 0.00 0.00 0.00 44.72 46.11 2b36 s GLY 96 CO 0.02 1.31 0.91 -0.12 0.00 0.00 0.00 173.10 175.21 2b36 s PHE 97 N -0.29 -0.48 -0.30 1.90 5.36 -1.26 -4.95 117.98 117.96 2b36 s PHE 97 Ca -0.05 0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 56.67 2b36 s PHE 97 Cb -0.03 0.42 0.17 0.00 -0.34 0.00 0.00 43.02 43.24 2b36 s PHE 97 CO 0.04 -0.40 0.96 1.41 -1.46 0.00 0.00 175.22 175.78 2b36 s MET 98 N -0.89 0.31 0.94 10.12 -2.45 -1.26 -4.40 119.30 121.65 2b36 s MET 98 Ca -0.03 0.73 -0.12 0.00 -1.25 0.00 0.00 55.69 55.02 2b36 s MET 98 Cb -0.01 0.44 0.07 0.00 1.25 0.00 0.00 34.83 36.58 2b36 s MET 98 CO 0.03 -0.14 0.67 -2.30 1.05 0.00 0.00 175.02 174.32 2b36 n PRO 99 N 5.08 -0.34 0.26 4.11 -0.02 -1.26 -4.80 135.00 138.03 2b36 n PRO 99 Ca -0.09 -0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2b36 n PRO 99 Cb 0.52 -2.04 0.77 0.00 -0.02 0.00 0.00 33.50 32.74 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 -1.67 0.00 -0.88 -0.52 1.08 -2.01 -1.65 115.11 109.46 2b36 h GLN 100 Ca -0.43 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.79 2b36 h GLN 100 Cb 1.28 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.66 2b36 h GLN 100 CO 0.37 0.00 0.58 1.79 -0.95 0.00 0.00 178.83 180.61 2b36 h THR 101 N 0.00 1.19 -0.59 -0.54 1.35 -1.93 -3.11 112.91 109.27 2b36 h THR 101 Ca 0.01 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2b36 h THR 101 Cb 0.07 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2b36 h THR 101 CO -0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2b36 n GLY 102 N -1.34 2.02 3.61 5.82 0.00 -0.63 -4.28 105.19 110.40 2b36 n GLY 102 Ca 0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.39 0.45 0.00 1.61 -2.45 -1.18 -0.10 119.30 116.24 2b36 s MET 103 Ca 0.42 0.84 0.00 0.00 -1.25 0.00 0.00 55.69 55.69 2b36 s MET 103 Cb 0.24 0.18 0.00 0.00 1.25 0.00 0.00 34.83 36.49 2b36 s MET 103 CO 0.25 -0.10 0.00 0.41 1.05 0.00 0.00 175.02 176.63 2b36 n GLY 104 N 4.09 0.09 0.04 2.11 0.00 0.55 -4.51 105.19 107.55 2b36 n GLY 104 Ca -0.17 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.32 2b36 n GLY 104 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2b36 n ILE 105 N 0.00 0.21 -2.25 -0.61 0.13 -1.26 -4.03 119.36 111.55 2b36 n ILE 105 Ca 0.00 -0.12 -0.39 0.00 -1.10 0.00 0.00 62.75 61.14 2b36 n ILE 105 Cb 0.00 -0.31 -0.02 0.00 -0.84 0.00 0.00 39.64 38.47 2b36 n ILE 105 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 2b36 s ASN 106 N -3.60 6.55 0.37 9.51 2.47 -1.26 -4.95 114.94 124.02 2b36 s ASN 106 Ca 0.11 2.41 -0.28 0.00 0.42 0.00 0.00 52.86 55.53 2b36 s ASN 106 Cb 0.16 -2.62 -0.11 0.00 -1.45 0.00 0.00 41.25 37.23 2b36 s ASN 106 CO 0.61 -0.66 1.48 -2.84 -3.72 0.00 0.00 177.10 171.97 2b36 s PRO 107 N -2.20 4.12 0.34 0.43 0.02 -1.26 -4.81 135.00 131.63 2b36 s PRO 107 Ca 0.56 2.56 0.07 0.00 0.02 0.00 0.00 61.00 64.20 2b36 s PRO 107 Cb -0.33 -2.98 0.76 0.00 0.02 0.00 0.00 34.50 31.98 2b36 s PRO 107 CO 0.41 -0.52 1.86 0.35 -0.33 0.00 0.00 177.00 178.77 2b36 h PHE 108 N 3.11 0.90 0.00 6.54 3.57 -1.92 -1.60 116.94 127.54 2b36 h PHE 108 Ca -0.51 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2b36 h PHE 108 Cb 1.24 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2b36 h PHE 108 CO 0.54 0.33 0.00 1.19 -2.23 0.00 0.00 178.31 178.14 2b36 n PHE 109 N -4.58 0.00 -1.14 0.41 3.72 -1.26 -3.64 117.46 110.97 2b36 n PHE 109 Ca 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.56 2b36 n PHE 109 Cb 0.45 -0.28 0.26 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.28 3.95 -4.49 4.37 8.00 -0.60 -4.91 116.55 121.59 2b36 n ASP 110 Ca 0.14 -3.31 -0.42 0.00 0.71 0.00 0.00 54.79 51.90 2b36 n ASP 110 Cb 0.23 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 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 -3.02 3.48 0.45 2.24 0.00 -1.24 -4.89 121.76 118.77 2b36 s ALA 111 Ca 0.49 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 2b36 s ALA 111 Cb 0.41 -2.85 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 2b36 s ALA 111 CO 0.09 -1.30 1.16 -1.25 0.00 0.00 0.00 175.76 174.46 2b36 s PRO 112 N 1.82 3.81 0.20 0.00 0.04 -1.26 -4.81 135.00 134.80 2b36 s PRO 112 Ca 0.07 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 2b36 s PRO 112 Cb -0.18 -2.45 0.24 0.00 0.04 0.00 0.00 34.50 32.15 2b36 s PRO 112 CO 0.11 -0.51 1.71 -0.92 0.04 0.00 0.00 177.00 177.43 2b36 h TYR 113 N 2.15 0.17 -1.25 0.56 3.20 -1.98 0.59 116.97 120.40 2b36 h TYR 113 Ca -0.49 0.03 0.41 0.00 3.14 0.00 0.00 58.73 61.83 2b36 h TYR 113 Cb 1.24 0.01 -0.13 0.00 1.54 0.00 0.00 36.73 39.39 2b36 h TYR 113 CO 0.54 -0.02 0.79 0.00 -1.64 0.00 0.00 178.16 177.82 2b36 h ALA 114 N 1.43 2.59 0.00 1.82 0.00 -1.97 2.09 119.26 125.23 2b36 h ALA 114 Ca 0.28 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2b36 h ALA 114 Cb 0.40 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2b36 h ALA 114 CO -0.37 -1.22 -0.14 -0.44 0.00 0.00 0.00 179.25 177.08 2b36 h ASP 115 N 0.11 0.00 -0.47 0.00 3.45 -1.27 -2.63 116.42 115.62 2b36 h ASP 115 Ca 0.80 -0.66 0.09 0.00 0.43 0.00 0.00 57.03 57.70 2b36 h ASP 115 Cb 2.41 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 41.10 2b36 h ASP 115 CO -0.46 0.91 -0.04 0.58 -1.57 0.00 0.00 179.24 178.66 2b36 h VAL 116 N -1.00 0.59 -0.54 -1.35 2.07 -0.08 -0.99 116.25 114.95 2b36 h VAL 116 Ca -0.03 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2b36 h VAL 116 Cb 0.75 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2b36 h VAL 116 CO -0.02 0.01 0.24 -1.28 0.02 0.00 0.00 177.57 176.54 2b36 h SER 117 N 0.07 0.31 -0.95 0.57 0.87 0.31 0.01 113.55 114.74 2b36 h SER 117 Ca 0.23 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2b36 h SER 117 Cb 0.36 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2b36 h SER 117 CO -0.43 0.21 0.62 0.50 -0.53 0.00 0.00 176.83 177.20 2b36 h LYS 118 N 0.46 1.17 0.00 2.24 3.64 -0.87 0.18 116.57 123.39 2b36 h LYS 118 Ca 0.25 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2b36 h LYS 118 Cb 0.22 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2b36 h LYS 118 CO -0.21 0.78 -0.48 0.78 -2.27 0.00 0.00 179.45 178.04 2b36 h GLY 119 N 1.21 0.00 1.50 5.01 0.00 0.08 -1.83 103.07 109.03 2b36 h GLY 119 Ca 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.58 2b36 h GLY 119 CO -0.12 0.00 -0.93 -2.22 0.00 0.00 0.00 176.54 173.27 2b36 h ILE 120 N 0.00 0.65 0.17 2.60 2.04 -0.63 -1.15 117.51 121.19 2b36 h ILE 120 Ca -0.00 -2.05 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 2b36 h ILE 120 Cb 1.18 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 2b36 h ILE 120 CO 0.06 0.37 -0.08 -0.74 0.00 0.00 0.00 178.15 177.76 2b36 h HIS 121 N 0.00 -0.21 0.03 1.37 2.76 -0.57 -0.07 115.15 118.46 2b36 h HIS 121 Ca -0.07 -0.01 -0.24 0.00 -2.20 0.00 0.00 60.37 57.85 2b36 h HIS 121 Cb 1.45 0.07 0.01 0.00 1.55 0.00 0.00 27.41 30.49 2b36 h HIS 121 CO 0.00 0.03 -1.02 0.82 -1.30 0.00 0.00 177.93 176.46 2b36 h ILE 122 N -0.44 1.38 0.02 6.26 2.04 -1.39 -0.84 117.51 124.55 2b36 h ILE 122 Ca -0.02 -2.48 -0.31 0.00 1.00 0.00 0.00 64.86 63.05 2b36 h ILE 122 Cb 0.34 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 2b36 h ILE 122 CO 0.04 0.74 -1.77 -1.20 0.00 0.00 0.00 178.15 175.97 2b36 n SER 123 N -3.74 1.09 -0.06 1.72 7.64 -0.44 -4.45 113.62 115.38 2b36 n SER 123 Ca -0.08 0.38 -0.09 0.00 1.01 0.00 0.00 58.87 60.09 2b36 n SER 123 Cb 0.88 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.64 1.42 -0.15 -0.43 0.00 -0.15 -4.72 120.51 113.85 2b36 n ALA 124 Ca -0.20 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 2b36 n ALA 124 Cb 1.05 0.10 -0.01 0.00 0.00 0.00 0.00 19.45 20.59 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 -0.76 1.12 -0.29 0.00 5.03 -1.19 -2.83 116.97 118.05 2b36 h TYR 125 Ca -0.06 -0.28 0.08 0.00 2.58 0.00 0.00 58.73 61.05 2b36 h TYR 125 Cb 0.84 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2b36 h TYR 125 CO -0.30 1.10 0.47 0.66 -1.32 0.00 0.00 178.16 178.77 2b36 h SER 126 N 0.81 0.00 -0.03 -2.11 4.64 -1.36 0.15 113.55 115.64 2b36 h SER 126 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2b36 h SER 126 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2b36 h SER 126 CO 0.07 0.00 0.01 0.22 -0.87 0.00 0.00 176.83 176.26 2b36 h TYR 127 N 0.00 0.04 -0.20 4.77 3.20 -1.78 -1.32 116.97 121.68 2b36 h TYR 127 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2b36 h TYR 127 Cb 1.07 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2b36 h TYR 127 CO 0.00 0.23 0.04 0.00 -1.64 0.00 0.00 178.16 176.79 2b36 h ALA 128 N 0.81 0.26 -0.52 1.82 0.00 -1.16 -1.89 119.26 118.59 2b36 h ALA 128 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2b36 h ALA 128 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2b36 h ALA 128 CO -0.00 -0.09 0.25 0.66 0.00 0.00 0.00 179.25 180.07 2b36 h SER 129 N 0.13 0.64 0.16 0.00 4.64 -1.38 0.19 113.55 117.94 2b36 h SER 129 Ca 0.06 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2b36 h SER 129 Cb 0.28 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2b36 h SER 129 CO 0.00 0.55 -0.08 -0.03 -0.87 0.00 0.00 176.83 176.40 2b36 h MET 130 N 0.72 -0.21 -0.69 4.77 -1.53 -1.14 -2.02 114.93 114.83 2b36 h MET 130 Ca 0.18 0.01 0.14 0.00 -3.44 0.00 0.00 59.70 56.60 2b36 h MET 130 Cb 0.08 0.05 -0.10 0.00 -0.55 0.00 0.00 31.60 31.07 2b36 h MET 130 CO -0.02 0.18 0.14 0.00 0.14 0.00 0.00 176.91 177.35 2b36 h ALA 131 N 0.01 0.85 -0.80 0.39 0.00 -1.14 0.11 119.26 118.69 2b36 h ALA 131 Ca -0.02 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.18 2b36 h ALA 131 Cb 0.49 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 2b36 h ALA 131 CO 0.04 -0.33 0.39 -0.22 0.00 0.00 0.00 179.25 179.12 2b36 h LYS 132 N 0.25 0.56 -0.08 0.00 3.64 -0.48 0.26 116.57 120.72 2b36 h LYS 132 Ca 0.38 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2b36 h LYS 132 Cb 0.62 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2b36 h LYS 132 CO -0.48 0.37 -0.11 0.00 -2.27 0.00 0.00 179.45 176.96 2b36 h ALA 133 N 1.53 0.12 0.00 5.00 0.00 -0.35 -3.37 119.26 122.18 2b36 h ALA 133 Ca 0.43 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2b36 h ALA 133 Cb 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2b36 h ALA 133 CO -0.35 -0.02 -1.46 -0.07 0.00 0.00 0.00 179.25 177.34 2b36 h LEU 134 N -0.23 0.00 -0.69 0.00 3.38 -0.68 -3.37 115.31 113.72 2b36 h LEU 134 Ca 0.01 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.11 2b36 h LEU 134 Cb 0.65 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 2b36 h LEU 134 CO 0.03 0.79 -0.23 0.25 0.09 0.00 0.00 178.44 179.37 2b36 h LEU 135 N 0.00 -0.83 -1.85 1.67 5.85 -0.65 0.35 115.31 119.85 2b36 h LEU 135 Ca -0.20 0.22 0.25 0.00 0.84 0.00 0.00 57.88 59.00 2b36 h LEU 135 Cb 1.78 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 43.25 2b36 h LEU 135 CO 0.07 -0.26 0.64 -0.65 -0.34 0.00 0.00 178.44 177.90 2b36 h PRO 136 N -0.05 0.11 -0.95 5.25 0.11 -1.77 0.34 132.00 135.05 2b36 h PRO 136 Ca 0.31 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.82 2b36 h PRO 136 Cb 0.54 -0.03 -0.30 0.00 0.11 0.00 0.00 31.00 31.33 2b36 h PRO 136 CO -0.73 0.08 0.64 0.44 -0.21 0.00 0.00 178.00 178.21 2b36 n ILE 137 N -4.35 3.38 -5.06 4.15 -5.35 0.12 -4.98 119.36 107.28 2b36 n ILE 137 Ca 0.19 -2.74 -0.32 0.00 -0.27 0.00 0.00 62.75 59.61 2b36 n ILE 137 Cb 0.91 -0.92 -0.15 0.00 -1.74 0.00 0.00 39.64 37.73 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 -3.64 2.66 0.30 6.28 -1.94 0.11 -0.98 119.30 122.09 2b36 s MET 138 Ca 0.61 -0.80 -0.28 0.00 -1.71 0.00 0.00 55.69 53.51 2b36 s MET 138 Cb 0.49 -2.31 -0.09 0.00 2.01 0.00 0.00 34.83 34.93 2b36 s MET 138 CO 0.03 0.44 1.04 -0.80 -0.01 0.00 0.00 175.02 175.72 2b36 s ASN 139 N -0.28 7.23 0.21 3.03 0.02 -0.29 -4.92 114.94 119.94 2b36 s ASN 139 Ca 0.01 2.12 -0.31 0.00 -1.02 0.00 0.00 52.86 53.66 2b36 s ASN 139 Cb -0.13 -2.61 -0.15 0.00 0.02 0.00 0.00 41.25 38.38 2b36 s ASN 139 CO 0.03 -0.16 1.07 -2.65 0.02 0.00 0.00 177.10 175.41 2b36 n PRO 140 N 0.91 1.15 -0.54 -0.60 -0.02 -1.26 -1.33 135.00 133.30 2b36 n PRO 140 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2b36 n PRO 140 Cb 0.47 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.75 0.75 3.65 -1.23 0.00 0.50 -5.01 105.19 105.61 2b36 n GLY 141 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.77 1.56 -0.03 -0.02 0.00 -0.44 -4.84 107.32 101.77 2b36 s GLY 142 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 2b36 s GLY 142 CO 0.00 0.28 0.04 -0.45 0.00 0.00 0.00 173.10 172.97 2b36 s SER 143 N -3.34 0.48 -0.21 1.64 0.15 -0.75 -1.89 113.70 109.78 2b36 s SER 143 Ca 0.66 0.04 -0.03 0.00 0.70 0.00 0.00 55.95 57.32 2b36 s SER 143 Cb -0.19 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2b36 s SER 143 CO 0.58 -0.17 -0.07 -0.63 1.20 0.00 0.00 173.24 174.16 2b36 s ILE 144 N 1.44 3.17 -0.02 6.45 1.01 0.17 -1.18 121.20 132.24 2b36 s ILE 144 Ca -0.04 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.07 2b36 s ILE 144 Cb -0.13 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 2b36 s ILE 144 CO -0.03 0.45 -0.09 0.54 0.00 0.00 0.00 174.94 175.81 2b36 s VAL 145 N 1.33 0.76 0.43 2.92 0.11 -0.50 -1.07 120.40 124.38 2b36 s VAL 145 Ca 0.04 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 58.77 2b36 s VAL 145 Cb -0.14 -0.67 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 2b36 s VAL 145 CO -0.04 0.23 0.01 -0.83 -3.33 0.00 0.00 175.10 171.15 2b36 s GLY 146 N 0.05 2.62 -0.05 6.54 0.00 -0.69 -1.51 107.32 114.28 2b36 s GLY 146 Ca -0.01 -1.83 -0.13 0.00 0.00 0.00 0.00 44.72 42.76 2b36 s GLY 146 CO 0.00 -2.11 0.33 1.06 0.00 0.00 0.00 173.10 172.38 2b36 s MET 147 N -3.76 3.84 0.27 2.90 -1.94 -0.87 -1.91 119.30 117.83 2b36 s MET 147 Ca 0.28 0.24 0.03 0.00 -1.71 0.00 0.00 55.69 54.53 2b36 s MET 147 Cb 0.08 -3.24 -0.06 0.00 2.01 0.00 0.00 34.83 33.62 2b36 s MET 147 CO 0.14 0.65 0.04 0.34 -0.01 0.00 0.00 175.02 176.18 2b36 s ASP 148 N -0.86 1.86 -0.08 3.03 2.15 -0.45 -4.91 116.67 117.42 2b36 s ASP 148 Ca 0.21 -1.30 -0.03 0.00 0.43 0.00 0.00 52.55 51.86 2b36 s ASP 148 Cb -0.15 0.01 0.04 0.00 -0.30 0.00 0.00 42.92 42.52 2b36 s ASP 148 CO 0.10 -0.59 0.07 0.12 -0.17 0.00 0.00 175.17 174.70 2b36 s PHE 149 N -3.45 0.11 -0.61 -5.34 2.19 -1.26 -2.07 117.98 107.55 2b36 s PHE 149 Ca 0.33 0.10 -0.38 0.00 0.33 0.00 0.00 56.93 57.30 2b36 s PHE 149 Cb 0.07 -0.54 -0.18 0.00 -1.31 0.00 0.00 43.02 41.06 2b36 s PHE 149 CO 0.12 -0.28 2.31 -3.47 1.83 0.00 0.00 175.22 175.72 2b36 n ASP 150 N 5.29 0.91 -1.56 6.13 2.03 -1.26 -4.83 116.55 123.25 2b36 n ASP 150 Ca -0.04 0.46 0.09 0.00 0.52 0.00 0.00 54.79 55.82 2b36 n ASP 150 Cb 0.50 -0.99 0.35 0.00 -0.72 0.00 0.00 41.12 40.26 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 7.93 3.85 -0.30 -0.67 -0.04 -1.26 -4.59 135.00 139.92 2b36 n PRO 151 Ca 0.55 -2.91 0.13 0.00 -0.04 0.00 0.00 63.50 61.23 2b36 n PRO 151 Cb 0.04 -1.93 0.30 0.00 -0.04 0.00 0.00 33.50 31.87 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 3.86 0.28 -2.48 3.54 0.02 -1.94 -3.42 113.55 113.41 2b36 h SER 152 Ca 0.00 0.16 -0.61 0.00 -0.84 0.00 0.00 61.79 60.50 2b36 h SER 152 Cb 1.51 0.15 -0.15 0.00 0.14 0.00 0.00 62.40 64.05 2b36 h SER 152 CO 0.27 -0.02 -0.77 -0.13 -1.14 0.00 0.00 176.83 175.04 2b36 s ARG 153 N -5.90 1.62 0.80 3.45 0.52 -1.26 -5.14 118.95 113.03 2b36 s ARG 153 Ca -0.12 -1.71 -0.08 0.00 -0.52 0.00 0.00 55.73 53.31 2b36 s ARG 153 Cb 0.25 -1.74 0.13 0.00 0.52 0.00 0.00 34.95 34.11 2b36 s ARG 153 CO 0.78 0.34 1.12 0.00 0.02 0.00 0.00 175.30 177.55 2b36 s ALA 154 N -2.36 3.01 0.16 2.13 0.00 -1.26 -5.10 121.76 118.34 2b36 s ALA 154 Ca 0.27 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 2b36 s ALA 154 Cb -0.05 -2.47 0.07 0.00 0.00 0.00 0.00 23.12 20.67 2b36 s ALA 154 CO 0.13 -1.74 1.02 0.00 0.00 0.00 0.00 175.76 175.17 2b36 s MET 155 N -5.44 1.22 0.76 0.00 0.23 -1.26 -5.13 119.30 109.69 2b36 s MET 155 Ca 0.67 -0.74 -0.11 0.00 -1.03 0.00 0.00 55.69 54.48 2b36 s MET 155 Cb -0.07 0.38 0.05 0.00 -1.53 0.00 0.00 34.83 33.66 2b36 s MET 155 CO 0.47 -0.57 1.08 -1.25 -2.03 0.00 0.00 175.02 172.73 2b36 s PRO 156 N -2.68 2.36 0.00 3.16 0.04 -1.26 -4.25 135.00 132.37 2b36 s PRO 156 Ca 0.17 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2b36 s PRO 156 Cb -0.02 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2b36 s PRO 156 CO 0.04 -1.48 0.00 0.00 0.04 0.00 0.00 177.00 175.59 2b36 n ALA 157 N -3.38 0.00 -0.24 8.56 0.00 -1.26 -4.35 120.51 119.85 2b36 n ALA 157 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.52 2b36 n ALA 157 Cb 0.54 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.23 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 0.97 0.00 0.00 3.20 -1.86 0.16 116.97 119.44 2b36 h TYR 158 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2b36 h TYR 158 Cb 0.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2b36 h TYR 158 CO 0.00 0.60 0.00 0.09 -1.64 0.00 0.00 178.16 177.21 2b36 n ASN 159 N -4.42 0.00 0.10 -2.11 3.02 -1.26 -0.30 115.26 110.28 2b36 n ASN 159 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2b36 n ASN 159 Cb 0.05 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.67 2b36 n ASN 159 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2b36 n TRP 160 N 4.76 0.66 0.11 3.10 7.02 0.86 -1.76 117.44 132.19 2b36 n TRP 160 Ca 0.00 0.24 -0.04 0.00 -1.02 0.00 0.00 57.50 56.68 2b36 n TRP 160 Cb 0.00 -0.89 0.10 0.00 -2.42 0.00 0.00 31.31 28.10 2b36 n TRP 160 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2b36 h MET 161 N 0.00 0.07 -0.92 -0.99 4.05 -0.77 -2.09 114.93 114.28 2b36 h MET 161 Ca 0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2b36 h MET 161 Cb 0.44 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 2b36 h MET 161 CO 0.00 0.74 0.54 1.15 0.23 0.00 0.00 176.91 179.57 2b36 h THR 162 N 0.04 1.26 -0.19 -0.77 2.02 -1.32 -0.28 112.91 113.66 2b36 h THR 162 Ca -0.01 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 2b36 h THR 162 Cb 1.25 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2b36 h THR 162 CO 0.10 0.28 -0.40 0.58 0.37 0.00 0.00 175.52 176.45 2b36 h VAL 163 N 1.27 1.30 -0.16 3.16 2.07 -1.50 -1.44 116.25 120.95 2b36 h VAL 163 Ca 0.33 -1.54 -0.14 0.00 0.82 0.00 0.00 66.70 66.17 2b36 h VAL 163 Cb -0.03 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2b36 h VAL 163 CO -0.06 0.48 -0.51 0.00 0.02 0.00 0.00 177.57 177.50 2b36 h ALA 164 N 1.21 0.83 -0.20 1.67 0.00 -0.92 -2.50 119.26 119.34 2b36 h ALA 164 Ca 0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2b36 h ALA 164 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2b36 h ALA 164 CO 0.07 0.67 -0.49 0.87 0.00 0.00 0.00 179.25 180.38 2b36 h LYS 165 N 0.35 0.68 -0.90 0.00 1.79 -0.79 -0.73 116.57 116.97 2b36 h LYS 165 Ca 0.01 -0.47 0.16 0.00 -2.18 0.00 0.00 60.65 58.18 2b36 h LYS 165 Cb 1.01 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.66 2b36 h LYS 165 CO 0.09 1.09 0.58 0.77 -1.08 0.00 0.00 179.45 180.90 2b36 h SER 166 N 0.38 0.61 -0.26 0.86 0.02 -1.27 -0.28 113.55 113.61 2b36 h SER 166 Ca -0.00 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 2b36 h SER 166 Cb 1.10 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2b36 h SER 166 CO 0.11 0.29 -0.41 0.00 -1.14 0.00 0.00 176.83 175.67 2b36 h ALA 167 N 1.61 0.40 -0.76 3.77 0.00 -1.05 -2.98 119.26 120.25 2b36 h ALA 167 Ca 0.46 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2b36 h ALA 167 Cb 0.83 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2b36 h ALA 167 CO -0.21 0.51 0.49 1.25 0.00 0.00 0.00 179.25 181.30 2b36 h LEU 168 N 0.48 0.84 -1.22 0.00 6.46 0.41 0.96 115.31 123.23 2b36 h LEU 168 Ca 0.02 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 2b36 h LEU 168 Cb 1.01 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2b36 h LEU 168 CO 0.09 0.60 -0.21 -0.33 -0.62 0.00 0.00 178.44 177.98 2b36 h GLU 169 N 1.00 0.28 -0.06 1.25 5.08 -1.15 0.36 114.58 121.34 2b36 h GLU 169 Ca 0.28 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2b36 h GLU 169 Cb -0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2b36 h GLU 169 CO -0.08 0.48 -0.30 1.03 -1.00 0.00 0.00 179.01 179.14 2b36 h SER 170 N 0.26 0.38 -0.40 1.42 0.87 -1.20 -2.94 113.55 111.94 2b36 h SER 170 Ca 0.04 -0.65 0.07 0.00 -1.23 0.00 0.00 61.79 60.02 2b36 h SER 170 Cb 0.52 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 2b36 h SER 170 CO 0.03 0.97 0.06 0.58 -0.53 0.00 0.00 176.83 177.94 2b36 h VAL 171 N -0.19 0.76 -0.85 2.23 2.07 -0.58 -2.34 116.25 117.35 2b36 h VAL 171 Ca -0.02 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.57 2b36 h VAL 171 Cb 0.96 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 2b36 h VAL 171 CO 0.06 0.03 0.45 -1.13 0.02 0.00 0.00 177.57 177.01 2b36 h ASN 172 N 0.18 0.58 -0.83 0.57 -1.24 -0.23 0.66 115.58 115.27 2b36 h ASN 172 Ca 0.20 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 2b36 h ASN 172 Cb 0.25 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 2b36 h ASN 172 CO -0.28 0.27 0.41 0.03 -1.29 0.00 0.00 177.43 176.56 2b36 h ARG 173 N 0.67 1.19 -0.19 6.67 3.08 -1.24 -1.13 114.38 123.43 2b36 h ARG 173 Ca 0.45 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 2b36 h ARG 173 Cb 0.59 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2b36 h ARG 173 CO -0.33 0.91 -0.07 0.74 -1.07 0.00 0.00 179.97 180.14 2b36 h PHE 174 N 1.18 0.43 -0.84 3.04 -1.00 -0.99 -3.11 116.94 115.64 2b36 h PHE 174 Ca 0.29 -0.10 0.20 0.00 2.81 0.00 0.00 57.97 61.17 2b36 h PHE 174 Cb 0.10 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 2b36 h PHE 174 CO 0.01 0.66 0.57 0.28 -1.61 0.00 0.00 178.31 178.22 2b36 h VAL 175 N 0.07 0.68 -0.74 -0.55 2.07 -0.59 0.83 116.25 118.02 2b36 h VAL 175 Ca 0.04 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2b36 h VAL 175 Cb 0.53 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2b36 h VAL 175 CO 0.02 0.06 0.44 0.00 0.02 0.00 0.00 177.57 178.11 2b36 h ALA 176 N 1.62 0.95 -0.08 1.67 0.00 -1.15 0.23 119.26 122.51 2b36 h ALA 176 Ca 0.42 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2b36 h ALA 176 Cb 1.19 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2b36 h ALA 176 CO -0.12 0.43 -0.12 0.00 0.00 0.00 0.00 179.25 179.44 2b36 h ARG 177 N 1.02 -0.16 -0.18 0.00 3.08 -0.83 0.16 114.38 117.47 2b36 h ARG 177 Ca 0.27 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2b36 h ARG 177 Cb -0.02 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2b36 h ARG 177 CO -0.05 -0.11 0.00 0.93 -1.07 0.00 0.00 179.97 179.67 2b36 h GLU 178 N -0.17 0.32 -0.24 0.04 4.39 -1.30 -3.15 114.58 114.47 2b36 h GLU 178 Ca 0.07 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2b36 h GLU 178 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2b36 h GLU 178 CO -0.18 0.53 0.10 0.00 -1.16 0.00 0.00 179.01 178.30 2b36 h ALA 179 N 0.78 1.74 -0.60 3.43 0.00 -0.45 -2.87 119.26 121.29 2b36 h ALA 179 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2b36 h ALA 179 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2b36 h ALA 179 CO 0.01 0.22 0.40 0.78 0.00 0.00 0.00 179.25 180.65 2b36 h GLY 180 N 0.44 0.84 2.00 0.00 0.00 -0.63 0.15 103.07 105.87 2b36 h GLY 180 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2b36 h GLY 180 CO -0.01 0.29 0.00 0.50 0.00 0.00 0.00 176.54 177.32 2b36 h LYS 181 N 0.79 0.00 -0.39 4.80 1.57 -1.58 -0.82 116.57 120.94 2b36 h LYS 181 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2b36 h LYS 181 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2b36 h LYS 181 CO -0.05 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.49 2b36 n TYR 182 N -2.30 0.52 -3.35 -1.35 4.02 -0.72 -4.97 117.16 109.00 2b36 n TYR 182 Ca 0.01 -0.39 -0.18 0.00 -0.01 0.00 0.00 57.90 57.33 2b36 n TYR 182 Cb 0.16 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.54 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 0.94 -0.31 3.04 2.72 0.00 -0.31 -4.04 105.19 107.24 2b36 n GLY 183 Ca 0.15 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.30 1.23 0.49 1.61 1.01 0.44 0.19 120.40 122.06 2b36 s VAL 184 Ca 0.24 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2b36 s VAL 184 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2b36 s VAL 184 CO 0.64 0.38 0.80 -0.13 0.00 0.00 0.00 175.10 176.78 2b36 s ARG 185 N 0.64 3.54 -0.16 2.72 0.52 -0.79 -3.31 118.95 122.11 2b36 s ARG 185 Ca -0.15 0.22 -0.05 0.00 -0.52 0.00 0.00 55.73 55.24 2b36 s ARG 185 Cb -0.16 -2.36 0.08 0.00 0.52 0.00 0.00 34.95 33.03 2b36 s ARG 185 CO 0.04 -0.22 0.29 0.45 0.02 0.00 0.00 175.30 175.88 2b36 s SER 186 N -4.11 0.39 0.23 0.23 0.15 -1.25 -0.66 113.70 108.69 2b36 s SER 186 Ca 0.48 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 2b36 s SER 186 Cb -0.10 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2b36 s SER 186 CO 0.45 -0.26 0.19 0.20 1.20 0.00 0.00 173.24 175.03 2b36 s ASN 187 N 2.45 0.37 -0.02 5.45 0.01 -0.23 0.60 114.94 123.56 2b36 s ASN 187 Ca 0.03 -1.41 0.06 0.00 -0.71 0.00 0.00 52.86 50.83 2b36 s ASN 187 Cb -0.13 0.43 -0.01 0.00 0.41 0.00 0.00 41.25 41.95 2b36 s ASN 187 CO -0.10 -0.91 -0.19 -0.76 -1.51 0.00 0.00 177.10 173.63 2b36 s LEU 188 N -3.18 2.01 -0.35 0.60 1.02 -0.92 -1.71 118.68 116.15 2b36 s LEU 188 Ca 0.38 -0.35 -0.11 0.00 0.02 0.00 0.00 54.13 54.06 2b36 s LEU 188 Cb 0.05 -1.00 0.01 0.00 0.02 0.00 0.00 46.19 45.27 2b36 s LEU 188 CO 0.14 0.22 0.19 -0.69 0.02 0.00 0.00 176.35 176.23 2b36 s VAL 189 N -0.33 4.65 -0.42 -1.59 1.01 -0.80 0.05 120.40 122.96 2b36 s VAL 189 Ca 0.05 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2b36 s VAL 189 Cb -0.09 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2b36 s VAL 189 CO 0.00 -0.10 0.62 0.00 0.00 0.00 0.00 175.10 175.62 2b36 s ALA 190 N 1.59 3.37 0.15 5.51 0.00 0.02 -1.34 121.76 131.06 2b36 s ALA 190 Ca 0.03 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 50.86 2b36 s ALA 190 Cb -0.18 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2b36 s ALA 190 CO 0.07 -1.69 0.06 0.00 0.00 0.00 0.00 175.76 174.20 2b36 s ALA 191 N 2.73 3.40 0.99 0.00 0.00 -0.88 -1.37 121.76 126.63 2b36 s ALA 191 Ca 0.22 -1.23 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 2b36 s ALA 191 Cb -0.14 -1.22 0.18 0.00 0.00 0.00 0.00 23.12 21.94 2b36 s ALA 191 CO 0.18 0.55 1.10 0.20 0.00 0.00 0.00 175.76 177.79 2b36 s GLY 192 N -2.86 1.57 0.29 0.00 0.00 -0.97 -4.70 107.32 100.64 2b36 s GLY 192 Ca 0.29 -0.39 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 2b36 s GLY 192 CO 0.21 0.22 1.46 2.56 0.00 0.00 0.00 173.10 177.54 2b36 s PRO 193 N -5.02 4.23 -0.02 2.90 0.04 -1.26 -5.02 135.00 130.86 2b36 s PRO 193 Ca 0.65 2.38 0.05 0.00 0.04 0.00 0.00 61.00 64.13 2b36 s PRO 193 Cb -0.18 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2b36 s PRO 193 CO 0.57 -0.45 -0.18 0.42 0.04 0.00 0.00 177.00 177.40 2b36 s ILE 194 N -0.30 1.42 0.07 0.56 -1.09 -1.26 -4.33 121.20 116.26 2b36 s ILE 194 Ca 0.58 -0.76 -0.31 0.00 -2.23 0.00 0.00 60.65 57.93 2b36 s ILE 194 Cb -0.43 -1.18 -0.07 0.00 -1.58 0.00 0.00 42.46 39.20 2b36 s ILE 194 CO 0.48 0.40 1.37 -0.13 -1.23 0.00 0.00 174.94 175.83 2b36 s ARG 195 N -0.39 4.32 0.00 2.79 1.81 -0.10 -5.04 118.95 122.34 2b36 s ARG 195 Ca 0.06 2.00 0.00 0.00 -1.72 0.00 0.00 55.73 56.08 2b36 s ARG 195 Cb -0.07 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 2b36 s ARG 195 CO -0.01 -0.46 0.00 2.41 -0.68 0.00 0.00 175.30 176.57 2b36 n THR 196 N 4.17 0.00 -1.11 0.02 -1.04 -1.26 -4.89 114.28 110.17 2b36 n THR 196 Ca 0.12 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.96 2b36 n THR 196 Cb 0.43 -0.12 -0.08 0.00 -1.82 0.00 0.00 70.33 68.75 2b36 n THR 196 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b36 n GLN 214 N -1.01 0.04 -0.50 -2.82 10.64 -1.26 -4.95 117.38 117.50 2b36 n GLN 214 Ca 0.00 -0.92 -0.02 0.00 -1.83 0.00 0.00 57.00 54.22 2b36 n GLN 214 Cb 0.07 -2.54 0.16 0.00 -0.86 0.00 0.00 30.24 27.07 2b36 n GLN 214 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 2b36 n ILE 215 N 6.82 1.63 0.59 -0.39 -6.64 -1.26 -3.46 119.36 116.65 2b36 n ILE 215 Ca 0.28 -0.78 0.08 0.00 -1.77 0.00 0.00 62.75 60.55 2b36 n ILE 215 Cb 0.43 -0.52 0.08 0.00 -1.44 0.00 0.00 39.64 38.20 2b36 n ILE 215 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2b36 n GLN 216 N 0.08 1.41 -0.02 6.28 -0.00 -1.26 -3.82 117.38 120.05 2b36 n GLN 216 Ca 0.20 -1.55 0.08 0.00 -0.00 0.00 0.00 57.00 55.72 2b36 n GLN 216 Cb 0.85 -1.32 -0.15 0.00 -0.00 0.00 0.00 30.24 29.62 2b36 n GLN 216 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2b36 n LEU 217 N 0.92 0.00 -0.04 2.61 4.32 -1.22 -3.98 117.00 119.60 2b36 n LEU 217 Ca 0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.07 2b36 n LEU 217 Cb 0.42 0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 42.27 2b36 n LEU 217 CO 0.10 0.06 -0.16 0.17 -1.22 0.00 0.00 177.39 176.34 2b36 h LEU 218 N 0.00 0.00 0.00 2.23 -0.00 -1.77 1.04 115.31 116.81 2b36 h LEU 218 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2b36 h LEU 218 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2b36 h LEU 218 CO 0.00 0.47 0.25 -1.84 -0.00 0.00 0.00 178.44 177.32 2b36 n GLU 219 N -3.94 0.00 -0.05 0.17 0.28 -1.25 0.38 120.64 116.23 2b36 n GLU 219 Ca -0.03 0.22 -0.06 0.00 -0.16 0.00 0.00 57.16 57.13 2b36 n GLU 219 Cb 0.12 -1.75 -0.02 0.00 1.43 0.00 0.00 31.44 31.23 2b36 n GLU 219 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2b36 n GLU 220 N -1.20 0.34 0.28 3.44 2.13 -1.21 -4.54 120.64 119.88 2b36 n GLU 220 Ca 0.00 0.14 0.19 0.00 0.66 0.00 0.00 57.16 58.14 2b36 n GLU 220 Cb 0.25 -1.08 0.93 0.00 0.27 0.00 0.00 31.44 31.81 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 -0.64 0.00 0.88 8.31 0.00 0.19 -2.55 103.07 109.25 2b36 h GLY 221 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2b36 h GLY 221 CO 0.00 0.00 -0.19 -0.25 0.00 0.00 0.00 176.54 176.10 2b36 h TRP 222 N 0.00 0.67 -0.05 5.60 2.91 -0.27 -1.88 115.95 122.94 2b36 h TRP 222 Ca 0.00 -0.19 -0.07 0.00 1.13 0.00 0.00 58.89 59.76 2b36 h TRP 222 Cb 0.17 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2b36 h TRP 222 CO 0.00 0.87 -0.29 0.22 -1.03 0.00 0.00 178.44 178.21 2b36 h ASP 223 N 0.28 0.08 -0.02 2.65 3.58 -1.65 0.22 116.42 121.56 2b36 h ASP 223 Ca 0.05 -0.02 -0.24 0.00 0.42 0.00 0.00 57.03 57.23 2b36 h ASP 223 Cb 0.73 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.77 2b36 h ASP 223 CO 0.05 0.37 -0.92 1.56 -2.88 0.00 0.00 179.24 177.42 2b36 h GLN 224 N 0.07 0.71 -0.14 0.28 4.20 -1.46 -3.34 115.11 115.42 2b36 h GLN 224 Ca 0.01 -0.68 -0.09 0.00 0.06 0.00 0.00 58.65 57.96 2b36 h GLN 224 Cb 0.55 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2b36 h GLN 224 CO 0.04 1.27 -0.25 0.00 -0.67 0.00 0.00 178.83 179.22 2b36 h ARG 225 N 0.44 0.42 -6.09 1.46 3.08 -1.15 -3.43 114.38 109.11 2b36 h ARG 225 Ca -0.09 -0.26 -0.63 0.00 0.07 0.00 0.00 59.98 59.07 2b36 h ARG 225 Cb 1.56 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.64 2b36 h ARG 225 CO 0.18 0.85 1.32 0.00 -1.07 0.00 0.00 179.97 181.26 2b36 n ALA 226 N -2.47 1.18 0.21 0.04 0.00 0.05 -4.59 120.51 114.93 2b36 n ALA 226 Ca -0.06 0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.57 2b36 n ALA 226 Cb 0.44 -2.63 0.84 0.00 0.00 0.00 0.00 19.45 18.10 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 11.92 0.00 -0.16 0.00 0.11 -1.76 0.13 132.00 142.24 2b36 h PRO 227 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2b36 h PRO 227 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2b36 h PRO 227 CO 0.98 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.21 2b36 n ILE 228 N -3.74 0.24 -0.02 4.15 -5.35 -1.24 -5.09 119.36 108.31 2b36 n ILE 228 Ca 0.02 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2b36 n ILE 228 Cb 0.33 1.18 -0.00 0.00 -1.74 0.00 0.00 39.64 39.41 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 1.12 -2.02 2.86 3.28 0.00 0.45 -5.02 105.19 105.85 2b36 n GLY 229 Ca 0.13 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.13 -0.06 -0.37 1.61 -0.11 -1.26 -4.55 118.94 112.08 2b36 s TRP 230 Ca 0.00 0.26 -0.03 0.00 1.22 0.00 0.00 56.10 57.55 2b36 s TRP 230 Cb 0.00 -0.13 0.08 0.00 -1.50 0.00 0.00 33.47 31.92 2b36 s TRP 230 CO 0.00 -0.11 0.13 1.21 -4.62 0.00 0.00 176.95 173.57 2b36 s ASN 231 N 0.90 5.17 0.10 5.86 2.47 -1.26 -4.57 114.94 123.62 2b36 s ASN 231 Ca -0.07 -1.67 0.17 0.00 0.42 0.00 0.00 52.86 51.71 2b36 s ASN 231 Cb -0.10 -1.81 0.74 0.00 -1.45 0.00 0.00 41.25 38.63 2b36 s ASN 231 CO -0.03 -0.43 1.54 1.15 -3.72 0.00 0.00 177.10 175.60 2b36 n MET 232 N 4.64 0.07 0.00 0.43 0.00 -1.26 -2.20 117.12 118.81 2b36 n MET 232 Ca -0.07 0.34 0.14 0.00 0.00 0.00 0.00 57.70 58.11 2b36 n MET 232 Cb 0.42 -1.65 0.57 0.00 0.00 0.00 0.00 33.22 32.57 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 -1.79 1.35 -3.89 3.17 5.02 -1.26 -0.92 118.16 119.84 2b36 n LYS 233 Ca 0.03 -0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 55.34 2b36 n LYS 233 Cb 0.18 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.12 3.38 0.00 4.39 2.15 -0.93 -4.94 116.67 118.59 2b36 s ASP 234 Ca 0.36 -0.96 0.27 0.00 0.43 0.00 0.00 52.55 52.66 2b36 s ASP 234 Cb 0.21 -1.00 0.81 0.00 -0.30 0.00 0.00 42.92 42.63 2b36 s ASP 234 CO 0.38 -0.23 1.60 0.00 -0.17 0.00 0.00 175.17 176.76 2b36 n ALA 235 N 4.80 2.70 0.09 3.66 0.00 -1.26 -4.47 120.51 126.02 2b36 n ALA 235 Ca -0.12 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2b36 n ALA 235 Cb 0.46 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 2.52 0.76 -0.67 0.00 2.02 -1.95 -1.94 112.91 113.64 2b36 h THR 236 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 2b36 h THR 236 Cb 0.59 0.76 -0.10 0.00 -1.74 0.00 0.00 68.15 67.66 2b36 h THR 236 CO 0.00 0.00 0.12 -0.65 0.37 0.00 0.00 175.52 175.36 2b36 h PRO 237 N -0.22 0.23 -0.14 6.66 0.11 -1.99 -0.65 132.00 136.00 2b36 h PRO 237 Ca 0.01 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2b36 h PRO 237 Cb 0.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2b36 h PRO 237 CO -0.04 0.15 0.06 0.28 -0.21 0.00 0.00 178.00 178.24 2b36 h VAL 238 N 0.23 0.99 -0.87 3.15 2.07 -1.78 -1.83 116.25 118.20 2b36 h VAL 238 Ca 0.37 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.99 2b36 h VAL 238 Cb 0.60 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 2b36 h VAL 238 CO -0.49 0.03 0.46 0.00 0.02 0.00 0.00 177.57 177.59 2b36 h ALA 239 N 1.08 1.33 -0.20 1.67 0.00 -0.52 -2.10 119.26 120.51 2b36 h ALA 239 Ca 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2b36 h ALA 239 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2b36 h ALA 239 CO -0.05 -0.09 -0.01 0.87 0.00 0.00 0.00 179.25 179.98 2b36 h LYS 240 N 0.64 0.36 -0.99 0.00 1.57 -0.38 -2.01 116.57 115.77 2b36 h LYS 240 Ca 0.48 -0.12 0.17 0.00 -1.87 0.00 0.00 60.65 59.31 2b36 h LYS 240 Cb 0.69 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.87 2b36 h LYS 240 CO -0.37 0.57 0.59 1.15 -0.57 0.00 0.00 179.45 180.82 2b36 h THR 241 N 0.12 0.76 -0.49 -0.16 2.02 -0.84 0.25 112.91 114.57 2b36 h THR 241 Ca 0.06 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2b36 h THR 241 Cb 0.41 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2b36 h THR 241 CO 0.01 0.15 -0.05 0.58 0.37 0.00 0.00 175.52 176.58 2b36 h VAL 242 N 0.80 1.25 -0.52 3.16 2.07 -1.07 -1.76 116.25 120.19 2b36 h VAL 242 Ca 0.55 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 2b36 h VAL 242 Cb 0.78 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2b36 h VAL 242 CO -0.36 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 177.62 2b36 h ALA 244 N 1.17 1.11 -0.36 0.00 0.00 -0.22 -0.17 119.26 120.80 2b36 h ALA 244 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2b36 h ALA 244 Cb 0.49 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2b36 h ALA 244 CO 0.02 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.85 2b36 h LEU 245 N 1.19 0.53 -0.47 0.00 -0.00 -1.04 -2.38 115.31 113.15 2b36 h LEU 245 Ca 0.29 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 58.00 2b36 h LEU 245 Cb 0.14 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2b36 h LEU 245 CO -0.03 0.61 -0.27 -0.07 -0.00 0.00 0.00 178.44 178.68 2b36 h LEU 246 N 0.54 0.00 0.00 1.67 3.38 -0.66 -3.45 115.31 116.79 2b36 h LEU 246 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2b36 h LEU 246 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2b36 h LEU 246 CO 0.01 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.28 2b36 n SER 247 N -3.25 -0.60 -1.18 -0.43 3.41 -0.13 -4.72 113.62 106.73 2b36 n SER 247 Ca 0.02 -0.70 0.09 0.00 -0.26 0.00 0.00 58.87 58.01 2b36 n SER 247 Cb 0.56 -0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.79 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 -3.00 4.01 -1.87 4.04 8.00 -1.26 -4.48 116.55 121.98 2b36 n ASP 248 Ca 0.00 -2.35 0.01 0.00 0.71 0.00 0.00 54.79 53.16 2b36 n ASP 248 Cb 0.00 -0.46 0.34 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.76 2.13 -2.76 1.24 7.02 -1.26 -4.19 117.44 120.39 2b36 n TRP 249 Ca 0.21 -0.88 -0.09 0.00 -1.02 0.00 0.00 57.50 55.71 2b36 n TRP 249 Cb 0.73 -0.57 0.07 0.00 -2.42 0.00 0.00 31.31 29.12 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 0.28 -0.91 0.00 -0.99 4.77 -1.26 -4.98 117.00 113.91 2b36 n LEU 250 Ca 0.32 -3.77 0.15 0.00 -0.03 0.00 0.00 56.01 52.67 2b36 n LEU 250 Cb 1.23 0.41 0.80 0.00 -2.33 0.00 0.00 43.42 43.54 2b36 n LEU 250 CO 0.36 1.91 1.02 -0.81 -1.33 0.00 0.00 177.39 178.54 2b36 n PRO 251 N -0.14 0.67 -0.10 3.23 -0.04 -1.26 -3.16 135.00 134.19 2b36 n PRO 251 Ca 0.05 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 2b36 n PRO 251 Cb 0.78 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.14 2.15 -4.10 0.55 0.00 -1.26 -4.99 120.51 111.71 2b36 n ALA 252 Ca 0.18 -1.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.04 2b36 n ALA 252 Cb 0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.25 1.98 0.15 0.00 -1.32 -1.19 -5.10 115.64 108.92 2b36 s THR 253 Ca 0.14 -0.90 -0.14 0.00 -1.21 0.00 0.00 61.69 59.59 2b36 s THR 253 Cb 0.09 -1.80 0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2b36 s THR 253 CO 0.07 0.52 0.38 0.28 -2.21 0.00 0.00 174.62 173.66 2b36 s THR 254 N 1.32 0.06 -0.91 5.08 -1.32 -1.26 -4.64 115.64 113.97 2b36 s THR 254 Ca 0.05 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 2b36 s THR 254 Cb -0.13 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 2b36 s THR 254 CO -0.13 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 2b36 n GLY 255 N -0.24 0.81 0.46 6.08 0.00 0.20 -4.93 105.19 107.58 2b36 n GLY 255 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.53 0.95 -3.62 1.61 -0.08 -1.24 -4.45 116.55 109.18 2b36 n ASP 256 Ca -0.09 -1.22 -0.20 0.00 -1.51 0.00 0.00 54.79 51.78 2b36 n ASP 256 Cb 0.47 -0.02 -0.16 0.00 2.34 0.00 0.00 41.12 43.76 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 -0.08 -0.20 -0.15 5.18 1.01 -1.26 -2.17 121.20 123.53 2b36 s ILE 257 Ca 0.05 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 2b36 s ILE 257 Cb -0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2b36 s ILE 257 CO 0.03 -0.03 0.39 -0.63 0.00 0.00 0.00 174.94 174.71 2b36 s ILE 258 N 2.24 5.24 -0.38 2.92 1.09 0.11 -4.93 121.20 127.49 2b36 s ILE 258 Ca 0.04 0.76 -0.16 0.00 -1.10 0.00 0.00 60.65 60.19 2b36 s ILE 258 Cb -0.14 -3.73 0.00 0.00 -1.06 0.00 0.00 42.46 37.53 2b36 s ILE 258 CO -0.07 0.34 0.36 -0.31 -0.10 0.00 0.00 174.94 175.16 2b36 s TYR 259 N 0.65 3.20 -0.91 3.97 1.51 -1.26 -0.80 117.35 123.72 2b36 s TYR 259 Ca 0.21 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 2b36 s TYR 259 Cb -0.14 -2.71 0.24 0.00 -0.11 0.00 0.00 41.96 39.25 2b36 s TYR 259 CO 0.07 -0.54 0.92 0.00 -1.11 0.00 0.00 175.55 174.90 2b36 n ALA 260 N 5.38 4.12 -1.89 3.71 0.00 -0.47 -4.71 120.51 126.64 2b36 n ALA 260 Ca -0.09 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.68 2b36 n ALA 260 Cb 0.48 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.91 0.00 -1.16 0.00 5.75 -1.26 -2.30 116.55 119.49 2b36 n ASP 261 Ca 0.24 -1.78 -0.15 0.00 -0.01 0.00 0.00 54.79 53.09 2b36 n ASP 261 Cb 0.37 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.00 1.54 2.51 6.12 0.00 -1.26 -2.31 105.19 111.79 2b36 n GLY 262 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.00 0.67 0.31 -0.02 0.00 -1.26 -2.50 105.19 101.39 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 1.87 0.00 4.61 0.00 -1.71 0.29 119.26 124.32 2b36 h ALA 264 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2b36 h ALA 264 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b36 h ALA 264 CO 0.00 0.09 0.00 -2.39 0.00 0.00 0.00 179.25 176.95 2b36 n HIS 265 N -4.49 0.00 0.88 0.00 1.44 -1.26 -2.70 115.22 109.09 2b36 n HIS 265 Ca 0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.83 2b36 n HIS 265 Cb 0.14 -0.11 -0.06 0.00 0.12 0.00 0.00 29.99 30.08 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 -1.11 0.00 -4.84 0.61 -2.24 0.10 -4.95 114.28 101.85 2b36 n THR 266 Ca 0.13 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 2b36 n THR 266 Cb 0.10 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.53 2.20 -0.14 -0.78 -1.52 -1.10 -5.07 119.66 110.72 2b36 s GLN 267 Ca 0.11 -0.89 -0.10 0.00 -1.95 0.00 0.00 55.36 52.53 2b36 s GLN 267 Cb 0.15 -2.21 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 2b36 s GLN 267 CO 0.65 0.57 -0.07 1.25 -0.25 0.00 0.00 175.29 177.44 2b36 h LEU 268 N 4.94 0.00 -1.48 2.90 5.85 -1.93 -3.48 115.31 122.11 2b36 h LEU 268 Ca -0.46 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2b36 h LEU 268 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2b36 h LEU 268 CO 0.48 0.81 0.00 -0.11 -0.34 0.00 0.00 178.44 179.28