#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p44 n GLY 3 N 0.00 3.35 0.07 1.09 0.00 -1.26 -4.61 105.19 103.83 1p44 n GLY 3 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 1p44 n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p44 h LEU 4 N 0.00 0.08 -3.10 0.99 6.46 -1.92 -3.31 115.31 114.51 1p44 h LEU 4 Ca 0.00 -0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1p44 h LEU 4 Cb 0.00 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 1p44 h LEU 4 CO 0.00 1.08 -0.34 0.18 -0.62 0.00 0.00 178.44 178.74 1p44 n LEU 5 N -3.31 3.08 -4.63 2.25 7.99 -1.05 -4.79 117.00 116.54 1p44 n LEU 5 Ca -0.06 -3.79 -0.47 0.00 -0.01 0.00 0.00 56.01 51.68 1p44 n LEU 5 Cb 0.98 -0.55 -0.05 0.00 -0.11 0.00 0.00 43.42 43.70 1p44 n LEU 5 CO 0.47 1.30 1.62 -0.67 -1.51 0.00 0.00 177.39 178.60 1p44 n ASP 6 N -1.13 3.31 0.00 -1.43 4.64 -1.04 -1.28 116.55 119.61 1p44 n ASP 6 Ca 0.23 0.74 0.00 0.00 -1.38 0.00 0.00 54.79 54.38 1p44 n ASP 6 Cb 0.78 -1.41 0.00 0.00 -1.04 0.00 0.00 41.12 39.46 1p44 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1p44 n GLY 7 N 4.99 0.60 3.62 0.27 0.00 -0.83 -4.95 105.19 108.89 1p44 n GLY 7 Ca 0.26 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1p44 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p44 s LYS 8 N -0.70 3.98 -0.35 1.61 -0.14 -0.40 -4.92 119.74 118.82 1p44 s LYS 8 Ca 0.00 -0.33 -0.17 0.00 -1.36 0.00 0.00 55.97 54.11 1p44 s LYS 8 Cb 0.00 -3.38 -0.01 0.00 -1.68 0.00 0.00 37.83 32.76 1p44 s LYS 8 CO 0.00 0.11 0.47 1.03 -0.76 0.00 0.00 175.35 176.21 1p44 s ARG 9 N 0.85 3.60 0.05 1.68 0.52 -1.25 -0.12 118.95 124.28 1p44 s ARG 9 Ca 0.06 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 55.11 1p44 s ARG 9 Cb -0.13 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 1p44 s ARG 9 CO 0.03 -0.61 -0.21 0.42 0.02 0.00 0.00 175.30 174.94 1p44 s ILE 10 N 2.29 1.73 -0.16 1.52 1.01 0.12 0.31 121.20 128.02 1p44 s ILE 10 Ca 0.17 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 1p44 s ILE 10 Cb -0.16 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1p44 s ILE 10 CO 0.13 0.19 0.14 -0.22 0.00 0.00 0.00 174.94 175.18 1p44 s LEU 11 N -1.28 4.29 -0.07 2.97 0.20 -0.47 -1.30 118.68 123.01 1p44 s LEU 11 Ca 0.08 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.27 1p44 s LEU 11 Cb -0.09 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1p44 s LEU 11 CO 0.02 0.28 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.55 1p44 s VAL 12 N -0.28 1.19 0.25 1.68 1.01 0.67 -0.69 120.40 124.23 1p44 s VAL 12 Ca 0.11 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1p44 s VAL 12 Cb -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1p44 s VAL 12 CO 0.01 0.37 -0.09 -0.94 0.00 0.00 0.00 175.10 174.45 1p44 s SER 13 N 0.73 2.65 0.00 3.32 1.04 -0.85 -2.23 113.70 118.35 1p44 s SER 13 Ca -0.13 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1p44 s SER 13 Cb -0.16 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1p44 s SER 13 CO 0.03 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1p44 n GLY 14 N -0.50 0.74 3.76 7.32 0.00 -1.25 -3.06 105.19 112.20 1p44 n GLY 14 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1p44 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p44 s ILE 15 N -2.00 4.66 0.00 -0.61 1.01 -1.26 -4.61 121.20 118.38 1p44 s ILE 15 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1p44 s ILE 15 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1p44 s ILE 15 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 174.94 175.36 1p44 n ILE 16 N 2.42 0.00 -4.47 2.92 0.13 -1.26 -4.73 119.36 114.37 1p44 n ILE 16 Ca -0.04 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.38 1p44 n ILE 16 Cb 0.50 -0.28 -0.11 0.00 -0.84 0.00 0.00 39.64 38.92 1p44 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1p44 s THR 17 N -1.60 1.51 -1.58 9.51 -4.23 -1.26 -4.79 115.64 113.19 1p44 s THR 17 Ca 0.00 -2.05 0.21 0.00 -1.18 0.00 0.00 61.69 58.67 1p44 s THR 17 Cb 0.00 -2.69 0.43 0.00 1.34 0.00 0.00 72.50 71.58 1p44 s THR 17 CO 0.00 -0.12 1.67 -0.90 -0.54 0.00 0.00 174.62 174.73 1p44 n ASP 18 N -0.69 0.00 -0.01 3.99 5.68 -1.26 -2.60 116.55 121.66 1p44 n ASP 18 Ca -0.04 -0.19 -0.15 0.00 -0.50 0.00 0.00 54.79 53.91 1p44 n ASP 18 Cb 0.65 -0.21 -0.14 0.00 -1.14 0.00 0.00 41.12 40.28 1p44 n ASP 18 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1p44 n SER 19 N -1.21 1.51 -4.53 -1.12 2.88 -1.26 -4.80 113.62 105.09 1p44 n SER 19 Ca 0.12 0.30 -0.44 0.00 -1.33 0.00 0.00 58.87 57.52 1p44 n SER 19 Cb 0.14 -0.46 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 1p44 n SER 19 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1p44 n SER 20 N -3.27 0.39 -0.28 -3.46 3.41 -1.07 -4.75 113.62 104.59 1p44 n SER 20 Ca -0.25 1.09 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 1p44 n SER 20 Cb 1.05 -1.21 0.31 0.00 -0.26 0.00 0.00 64.21 64.10 1p44 n SER 20 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1p44 h ILE 21 N 1.49 0.96 -0.61 -1.33 2.04 -1.90 -2.07 117.51 116.09 1p44 h ILE 21 Ca -0.39 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1p44 h ILE 21 Cb 1.37 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1p44 h ILE 21 CO 0.57 0.16 0.40 0.00 0.00 0.00 0.00 178.15 179.28 1p44 h ALA 22 N 1.56 1.65 -1.00 1.87 0.00 -1.88 -1.18 119.26 120.27 1p44 h ALA 22 Ca 0.41 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1p44 h ALA 22 Cb 0.43 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1p44 h ALA 22 CO -0.18 0.30 0.67 0.35 0.00 0.00 0.00 179.25 180.39 1p44 h PHE 23 N 0.74 1.26 0.00 0.00 3.04 -1.65 0.53 116.94 120.87 1p44 h PHE 23 Ca 0.24 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.09 1p44 h PHE 23 Cb 0.03 -0.43 -0.02 0.00 2.56 0.00 0.00 35.95 38.10 1p44 h PHE 23 CO -0.00 0.79 -0.60 0.45 -2.02 0.00 0.00 178.31 176.93 1p44 h HIS 24 N 1.35 0.00 -0.14 0.41 3.86 -1.38 0.62 115.15 119.88 1p44 h HIS 24 Ca 0.37 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.35 1p44 h HIS 24 Cb -0.14 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.34 1p44 h HIS 24 CO -0.00 0.60 -0.81 0.82 0.86 0.00 0.00 177.93 179.40 1p44 h ILE 25 N 0.00 1.27 -0.51 2.45 2.04 -0.49 -2.21 117.51 120.07 1p44 h ILE 25 Ca -0.01 -2.00 -0.13 0.00 1.00 0.00 0.00 64.86 63.73 1p44 h ILE 25 Cb 1.27 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1p44 h ILE 25 CO 0.08 0.63 -0.17 0.00 0.00 0.00 0.00 178.15 178.69 1p44 h ALA 26 N 0.54 0.71 0.68 1.87 0.00 0.18 -1.73 119.26 121.50 1p44 h ALA 26 Ca -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1p44 h ALA 26 Cb 1.44 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1p44 h ALA 26 CO 0.17 0.67 -0.33 -0.09 0.00 0.00 0.00 179.25 179.67 1p44 h ARG 27 N 0.88 -0.88 -0.34 0.00 2.43 -0.83 -1.57 114.38 114.08 1p44 h ARG 27 Ca 0.12 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1p44 h ARG 27 Cb 0.75 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1p44 h ARG 27 CO 0.06 -0.56 0.11 0.28 -1.51 0.00 0.00 179.97 178.35 1p44 h VAL 28 N -1.03 1.15 -0.58 0.20 2.07 -1.47 -1.12 116.25 115.47 1p44 h VAL 28 Ca -0.09 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1p44 h VAL 28 Cb 0.73 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1p44 h VAL 28 CO 0.15 0.18 0.38 0.00 0.02 0.00 0.00 177.57 178.30 1p44 h ALA 29 N 1.65 0.74 -0.03 1.67 0.00 -1.14 -2.80 119.26 119.34 1p44 h ALA 29 Ca 0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1p44 h ALA 29 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1p44 h ALA 29 CO -0.01 0.15 -0.83 0.37 0.00 0.00 0.00 179.25 178.93 1p44 h GLN 30 N 0.76 0.32 0.00 0.00 4.15 -0.40 -2.73 115.11 117.22 1p44 h GLN 30 Ca 0.22 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1p44 h GLN 30 Cb -0.07 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1p44 h GLN 30 CO -0.06 0.99 0.00 0.93 -1.93 0.00 0.00 178.83 178.76 1p44 h GLU 31 N 0.20 0.00 -0.70 1.69 5.08 -1.07 -1.56 114.58 118.22 1p44 h GLU 31 Ca -0.05 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 1p44 h GLU 31 Cb 1.43 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.54 1p44 h GLU 31 CO 0.14 0.00 0.27 1.04 -1.00 0.00 0.00 179.01 179.45 1p44 n GLN 32 N -2.74 3.27 -1.85 2.33 1.13 -1.04 -4.90 117.38 113.59 1p44 n GLN 32 Ca -0.01 -3.07 -0.13 0.00 -1.94 0.00 0.00 57.00 51.85 1p44 n GLN 32 Cb 0.13 -2.14 -0.03 0.00 0.11 0.00 0.00 30.24 28.31 1p44 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p44 n GLY 33 N -0.42 0.53 3.89 1.08 0.00 -0.59 -2.51 105.19 107.18 1p44 n GLY 33 Ca 0.41 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1p44 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 s ALA 34 N -2.57 3.78 -0.17 4.61 0.00 -1.17 -1.96 121.76 124.28 1p44 s ALA 34 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1p44 s ALA 34 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1p44 s ALA 34 CO 0.00 0.66 0.35 -1.14 0.00 0.00 0.00 175.76 175.63 1p44 s GLN 35 N -2.59 4.25 0.31 0.00 0.74 0.83 -4.61 119.66 118.58 1p44 s GLN 35 Ca 0.40 0.18 0.08 0.00 0.05 0.00 0.00 55.36 56.08 1p44 s GLN 35 Cb -0.12 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1p44 s GLN 35 CO 0.24 0.14 0.14 -0.51 -0.55 0.00 0.00 175.29 174.75 1p44 s LEU 36 N 0.74 3.37 -0.03 3.68 1.43 -1.26 0.11 118.68 126.71 1p44 s LEU 36 Ca 0.19 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1p44 s LEU 36 Cb -0.14 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1p44 s LEU 36 CO 0.06 -0.21 0.04 -0.69 0.23 0.00 0.00 176.35 175.79 1p44 s VAL 37 N -2.35 -0.05 0.03 -1.59 1.01 -0.42 -4.32 120.40 112.71 1p44 s VAL 37 Ca 0.36 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1p44 s VAL 37 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1p44 s VAL 37 CO 0.23 0.15 -0.12 -0.76 0.00 0.00 0.00 175.10 174.60 1p44 s LEU 38 N 1.71 2.90 -0.07 3.92 1.43 -0.76 -0.24 118.68 127.57 1p44 s LEU 38 Ca -0.01 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1p44 s LEU 38 Cb -0.12 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1p44 s LEU 38 CO -0.03 0.26 -0.22 0.42 0.23 0.00 0.00 176.35 177.01 1p44 s THR 39 N -0.97 1.87 0.26 5.49 -4.23 -0.95 -0.23 115.64 116.88 1p44 s THR 39 Ca 0.16 -0.94 0.11 0.00 -1.18 0.00 0.00 61.69 59.85 1p44 s THR 39 Cb -0.11 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 1p44 s THR 39 CO 0.07 0.52 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.68 1p44 s GLY 40 N 0.12 1.81 0.00 3.99 0.00 -0.23 -3.86 107.32 109.16 1p44 s GLY 40 Ca -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1p44 s GLY 40 CO 0.05 -1.87 0.01 0.33 0.00 0.00 0.00 173.10 171.63 1p44 n PHE 41 N -0.57 0.00 0.03 1.90 7.35 -1.26 -0.59 117.46 124.31 1p44 n PHE 41 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1p44 n PHE 41 Cb 0.59 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.30 1p44 n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1p44 n ASP 42 N -0.86 0.29 -2.46 -2.13 3.85 -1.26 -4.49 116.55 109.50 1p44 n ASP 42 Ca 0.00 0.09 -0.15 0.00 -0.71 0.00 0.00 54.79 54.02 1p44 n ASP 42 Cb 0.00 -0.05 -0.10 0.00 -1.35 0.00 0.00 41.12 39.62 1p44 n ASP 42 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1p44 n ARG 43 N -3.11 1.90 -0.29 0.11 1.74 -1.26 -4.67 116.66 111.09 1p44 n ARG 43 Ca 0.00 -1.06 -0.11 0.00 -0.77 0.00 0.00 57.85 55.90 1p44 n ARG 43 Cb 0.23 -2.10 -0.09 0.00 -1.02 0.00 0.00 32.46 29.48 1p44 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1p44 h LEU 44 N 6.00 -1.89 -0.84 0.55 3.38 -1.93 0.17 115.31 120.74 1p44 h LEU 44 Ca 0.30 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1p44 h LEU 44 Cb 0.87 0.82 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1p44 h LEU 44 CO 0.69 -0.27 0.17 -1.14 0.09 0.00 0.00 178.44 177.97 1p44 n ARG 45 N -5.10 0.08 0.03 1.13 0.00 -1.26 -1.00 116.66 110.54 1p44 n ARG 45 Ca -0.00 0.55 0.11 0.00 -0.00 0.00 0.00 57.85 58.51 1p44 n ARG 45 Cb 0.27 -1.94 -0.05 0.00 0.00 0.00 0.00 32.46 30.73 1p44 n ARG 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1p44 n LEU 46 N -1.96 0.50 0.01 6.15 7.94 0.58 -4.15 117.00 126.07 1p44 n LEU 46 Ca -0.01 0.05 0.11 0.00 -1.11 0.00 0.00 56.01 55.05 1p44 n LEU 46 Cb 0.19 -0.05 0.04 0.00 0.53 0.00 0.00 43.42 44.12 1p44 n LEU 46 CO 0.06 -0.02 0.09 2.30 -1.11 0.00 0.00 177.39 178.71 1p44 n ILE 47 N -2.21 0.07 0.20 1.96 -5.35 -0.17 -3.78 119.36 110.09 1p44 n ILE 47 Ca -0.00 -0.11 0.04 0.00 -0.27 0.00 0.00 62.75 62.40 1p44 n ILE 47 Cb 0.50 0.44 0.42 0.00 -1.74 0.00 0.00 39.64 39.27 1p44 n ILE 47 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1p44 h GLN 48 N 0.00 0.00 0.00 6.28 1.08 -1.70 0.25 115.11 121.02 1p44 h GLN 48 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1p44 h GLN 48 Cb 0.61 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1p44 h GLN 48 CO 0.00 0.29 -0.31 -0.09 -0.95 0.00 0.00 178.83 177.77 1p44 h ARG 49 N 0.00 0.00 0.07 1.46 1.12 -1.77 -0.49 114.38 114.76 1p44 h ARG 49 Ca -0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.53 1p44 h ARG 49 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.45 1p44 h ARG 49 CO 0.04 0.31 -1.95 -0.89 -3.11 0.00 0.00 179.97 174.37 1p44 n ILE 50 N -3.83 1.69 1.87 1.20 5.41 -0.13 -3.86 119.36 121.70 1p44 n ILE 50 Ca -0.01 -0.71 0.13 0.00 1.00 0.00 0.00 62.75 63.16 1p44 n ILE 50 Cb 0.40 -1.41 0.71 0.00 -0.71 0.00 0.00 39.64 38.62 1p44 n ILE 50 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1p44 n THR 51 N -3.28 0.02 0.98 1.39 -2.24 0.71 -2.49 114.28 109.37 1p44 n THR 51 Ca -0.28 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1p44 n THR 51 Cb 1.05 -0.22 0.34 0.00 -2.10 0.00 0.00 70.33 69.39 1p44 n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p44 n ASP 52 N -0.66 0.39 -1.48 3.42 8.00 -0.20 -3.28 116.55 122.74 1p44 n ASP 52 Ca 0.19 -0.06 0.06 0.00 0.71 0.00 0.00 54.79 55.69 1p44 n ASP 52 Cb 0.15 0.07 0.29 0.00 -0.02 0.00 0.00 41.12 41.61 1p44 n ASP 52 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p44 n ARG 53 N -1.52 3.72 -3.50 -1.24 5.12 -1.04 -4.93 116.66 113.28 1p44 n ARG 53 Ca 0.06 -2.29 -0.28 0.00 -1.93 0.00 0.00 57.85 53.41 1p44 n ARG 53 Cb 0.34 -2.00 -0.03 0.00 -1.16 0.00 0.00 32.46 29.61 1p44 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1p44 s LEU 54 N -1.93 4.13 0.18 0.55 1.43 -1.21 -5.01 118.68 116.83 1p44 s LEU 54 Ca 0.40 0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.84 1p44 s LEU 54 Cb 0.30 -3.35 0.11 0.00 0.03 0.00 0.00 46.19 43.27 1p44 s LEU 54 CO 0.13 -0.14 1.58 -0.65 0.23 0.00 0.00 176.35 177.51 1p44 h PRO 55 N 1.73 -0.17 -5.83 1.29 0.11 -1.91 -3.42 132.00 123.80 1p44 h PRO 55 Ca -0.48 0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.14 1p44 h PRO 55 Cb 1.19 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 1p44 h PRO 55 CO 0.66 -0.11 -0.78 0.00 -0.21 0.00 0.00 178.00 177.56 1p44 s ALA 56 N -5.97 1.88 -0.16 -0.75 0.00 -1.26 -5.11 121.76 110.39 1p44 s ALA 56 Ca -0.14 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 1p44 s ALA 56 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1p44 s ALA 56 CO 0.69 0.21 1.34 0.15 0.00 0.00 0.00 175.76 178.15 1p44 s LYS 57 N -2.73 4.20 -0.06 0.00 3.01 -1.26 -5.01 119.74 117.89 1p44 s LYS 57 Ca 0.14 1.73 0.03 0.00 -1.01 0.00 0.00 55.97 56.85 1p44 s LYS 57 Cb -0.06 -3.82 0.01 0.00 -1.01 0.00 0.00 37.83 32.96 1p44 s LYS 57 CO 0.06 -0.77 -0.13 0.00 0.51 0.00 0.00 175.35 175.01 1p44 s ALA 58 N 3.68 1.32 0.64 5.17 0.00 -1.26 -4.98 121.76 126.33 1p44 s ALA 58 Ca 0.58 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 1p44 s ALA 58 Cb -0.23 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1p44 s ALA 58 CO 0.18 0.16 0.85 -0.35 0.00 0.00 0.00 175.76 176.60 1p44 n PRO 59 N 3.61 0.68 -4.50 0.00 -0.04 -1.26 -4.74 135.00 128.75 1p44 n PRO 59 Ca -0.21 0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1p44 n PRO 59 Cb 0.52 -2.07 -0.17 0.00 -0.04 0.00 0.00 33.50 31.74 1p44 n PRO 59 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1p44 s LEU 60 N -1.68 1.89 0.23 1.53 1.98 -1.26 -1.82 118.68 119.55 1p44 s LEU 60 Ca 0.74 -0.51 0.09 0.00 -2.89 0.00 0.00 54.13 51.55 1p44 s LEU 60 Cb -0.40 -1.25 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 1p44 s LEU 60 CO 0.49 0.04 0.02 -0.76 -1.89 0.00 0.00 176.35 174.25 1p44 s LEU 61 N 0.96 3.31 0.08 -0.68 1.43 0.69 -4.98 118.68 119.48 1p44 s LEU 61 Ca -0.06 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 1p44 s LEU 61 Cb -0.15 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1p44 s LEU 61 CO -0.03 0.03 0.54 -0.70 0.23 0.00 0.00 176.35 176.42 1p44 s GLU 62 N -3.45 4.12 -0.29 1.70 2.12 -1.26 -1.06 118.70 120.57 1p44 s GLU 62 Ca 0.30 0.65 0.04 0.00 0.36 0.00 0.00 54.97 56.31 1p44 s GLU 62 Cb -0.08 -3.17 0.18 0.00 0.26 0.00 0.00 34.13 31.33 1p44 s GLU 62 CO 0.20 0.61 0.53 -1.17 -0.54 0.00 0.00 175.26 174.89 1p44 s LEU 63 N -1.28 -1.30 -0.43 2.70 2.96 0.24 -4.82 118.68 116.75 1p44 s LEU 63 Ca 0.30 0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 54.18 1p44 s LEU 63 Cb -0.18 1.73 0.06 0.00 0.50 0.00 0.00 46.19 48.30 1p44 s LEU 63 CO 0.18 -0.31 0.31 -0.62 -1.32 0.00 0.00 176.35 174.59 1p44 s ASP 64 N 2.73 5.92 0.19 3.68 3.68 -1.26 -4.18 116.67 127.43 1p44 s ASP 64 Ca 0.11 -1.27 0.13 0.00 2.13 0.00 0.00 52.55 53.65 1p44 s ASP 64 Cb -0.12 -2.09 0.69 0.00 -1.45 0.00 0.00 42.92 39.95 1p44 s ASP 64 CO -0.26 -0.55 1.39 1.33 0.13 0.00 0.00 175.17 177.21 1p44 n VAL 65 N 5.08 1.44 0.37 1.11 0.24 -1.26 -0.90 118.33 124.40 1p44 n VAL 65 Ca -0.11 0.64 0.12 0.00 -2.04 0.00 0.00 64.34 62.94 1p44 n VAL 65 Cb 0.44 -1.64 0.09 0.00 -1.47 0.00 0.00 33.84 31.26 1p44 n VAL 65 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1p44 h GLN 66 N 0.00 0.00 -6.01 7.34 4.20 -1.93 -3.45 115.11 115.26 1p44 h GLN 66 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 1p44 h GLN 66 Cb 0.00 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.68 1p44 h GLN 66 CO 0.00 0.00 0.53 1.21 -0.67 0.00 0.00 178.83 179.90 1p44 s ASN 67 N -4.71 6.58 0.23 1.46 3.04 -0.08 -4.93 114.94 116.53 1p44 s ASN 67 Ca 0.03 0.36 -0.07 0.00 0.04 0.00 0.00 52.86 53.22 1p44 s ASN 67 Cb 0.12 -2.44 0.20 0.00 -1.54 0.00 0.00 41.25 37.59 1p44 s ASN 67 CO 0.75 -0.88 1.81 -0.08 -3.04 0.00 0.00 177.10 175.66 1p44 h GLU 68 N 8.67 1.18 -0.14 0.43 4.57 -1.86 -2.69 114.58 124.73 1p44 h GLU 68 Ca -0.24 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 57.79 1p44 h GLU 68 Cb 1.08 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 1p44 h GLU 68 CO 0.98 0.93 -0.28 0.93 -1.18 0.00 0.00 179.01 180.39 1p44 h GLU 69 N 1.15 -0.33 -0.10 1.92 5.08 -1.94 -0.96 114.58 119.41 1p44 h GLU 69 Ca 0.27 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1p44 h GLU 69 Cb 0.18 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1p44 h GLU 69 CO -0.03 -0.22 -0.36 0.45 -1.00 0.00 0.00 179.01 177.85 1p44 h HIS 70 N -0.34 -1.08 -0.84 4.33 3.86 -1.81 -1.66 115.15 117.62 1p44 h HIS 70 Ca 0.10 0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.50 1p44 h HIS 70 Cb 0.50 0.48 -0.15 0.00 1.06 0.00 0.00 27.41 29.30 1p44 h HIS 70 CO -0.38 -0.36 -0.31 -0.07 0.86 0.00 0.00 177.93 177.67 1p44 h LEU 71 N -0.38 -1.14 -1.30 2.43 -0.00 -1.11 0.25 115.31 114.05 1p44 h LEU 71 Ca 0.02 0.27 0.03 0.00 -0.00 0.00 0.00 57.88 58.20 1p44 h LEU 71 Cb 0.45 0.63 -0.04 0.00 -0.00 0.00 0.00 40.66 41.70 1p44 h LEU 71 CO -0.30 -0.29 0.49 0.00 -0.00 0.00 0.00 178.44 178.34 1p44 h ALA 72 N 1.44 1.55 -0.00 1.53 0.00 -0.69 -1.74 119.26 121.35 1p44 h ALA 72 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1p44 h ALA 72 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1p44 h ALA 72 CO -0.87 0.38 -0.24 -1.13 0.00 0.00 0.00 179.25 177.40 1p44 n SER 73 N -4.45 0.31 -0.01 0.00 3.41 0.65 -4.45 113.62 109.08 1p44 n SER 73 Ca 0.09 -0.01 -0.02 0.00 -0.26 0.00 0.00 58.87 58.67 1p44 n SER 73 Cb 0.11 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1p44 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1p44 h LEU 74 N 0.11 -0.27 -0.67 1.04 6.46 0.03 -1.66 115.31 120.35 1p44 h LEU 74 Ca 0.00 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 57.93 1p44 h LEU 74 Cb 0.48 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.41 1p44 h LEU 74 CO 0.00 -0.07 0.12 0.00 -0.62 0.00 0.00 178.44 177.87 1p44 h ALA 75 N -1.23 0.80 -0.53 1.25 0.00 -1.78 0.39 119.26 118.16 1p44 h ALA 75 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1p44 h ALA 75 Cb 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1p44 h ALA 75 CO -0.07 -0.34 0.26 0.78 0.00 0.00 0.00 179.25 179.88 1p44 h GLY 76 N 0.23 0.79 2.00 0.00 0.00 -1.80 -2.23 103.07 102.05 1p44 h GLY 76 Ca 0.36 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1p44 h GLY 76 CO -0.48 0.34 -0.42 3.21 0.00 0.00 0.00 176.54 179.19 1p44 h ARG 77 N 0.74 0.00 0.00 4.80 3.08 0.02 -2.17 114.38 120.85 1p44 h ARG 77 Ca 0.19 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.00 1p44 h ARG 77 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1p44 h ARG 77 CO -0.03 0.42 -0.96 0.28 -1.07 0.00 0.00 179.97 178.61 1p44 h VAL 78 N 0.00 1.38 0.18 2.04 2.07 -0.66 -3.16 116.25 118.09 1p44 h VAL 78 Ca -0.00 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 1p44 h VAL 78 Cb 0.93 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1p44 h VAL 78 CO 0.05 0.73 -0.09 0.74 0.02 0.00 0.00 177.57 179.03 1p44 h THR 79 N 0.26 0.88 -0.01 2.57 2.02 -1.35 1.12 112.91 118.39 1p44 h THR 79 Ca -0.09 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1p44 h THR 79 Cb 1.60 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1p44 h THR 79 CO 0.17 0.06 0.57 -0.33 0.37 0.00 0.00 175.52 176.36 1p44 h GLU 80 N -0.36 0.00 0.00 6.66 5.08 -1.43 0.72 114.58 125.25 1p44 h GLU 80 Ca -0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 1p44 h GLU 80 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1p44 h GLU 80 CO 0.04 0.00 -1.81 0.00 -1.00 0.00 0.00 179.01 176.24 1p44 n ALA 81 N -1.76 1.24 0.06 3.43 0.00 -0.11 -4.73 120.51 118.64 1p44 n ALA 81 Ca -0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 1p44 n ALA 81 Cb 0.61 0.12 0.05 0.00 0.00 0.00 0.00 19.45 20.23 1p44 n ALA 81 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1p44 h ILE 82 N -0.91 1.39 0.00 0.00 3.07 0.18 -3.50 117.51 117.74 1p44 h ILE 82 Ca -0.39 -2.15 0.00 0.00 1.55 0.00 0.00 64.86 63.88 1p44 h ILE 82 Cb 1.30 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.97 1p44 h ILE 82 CO -0.23 0.64 0.00 0.61 -1.05 0.00 0.00 178.15 178.12 1p44 n GLY 83 N 0.52 4.05 3.58 0.16 0.00 0.19 -4.88 105.19 108.81 1p44 n GLY 83 Ca -0.04 -1.19 -0.49 0.00 0.00 0.00 0.00 46.02 44.30 1p44 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 84 N -0.25 -0.78 0.00 4.61 0.00 -1.26 0.31 120.51 123.14 1p44 n ALA 84 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1p44 n ALA 84 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1p44 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p44 n GLY 85 N 2.08 2.15 3.84 0.00 0.00 -1.26 -4.96 105.19 107.04 1p44 n GLY 85 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1p44 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p44 s ASN 86 N -1.99 6.74 0.47 1.61 0.01 0.15 -5.08 114.94 116.84 1p44 s ASN 86 Ca 0.00 1.55 0.02 0.00 -0.71 0.00 0.00 52.86 53.73 1p44 s ASN 86 Cb 0.00 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1p44 s ASN 86 CO 0.00 -0.46 0.09 -0.54 -1.51 0.00 0.00 177.10 174.67 1p44 s LYS 87 N -3.66 2.10 0.04 -0.60 1.02 -1.26 -4.78 119.74 112.60 1p44 s LYS 87 Ca 0.59 -2.33 -0.00 0.00 0.02 0.00 0.00 55.97 54.24 1p44 s LYS 87 Cb -0.10 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1p44 s LYS 87 CO 0.24 -0.49 0.19 -0.51 -0.92 0.00 0.00 175.35 173.86 1p44 s LEU 88 N -3.75 4.31 -0.02 3.17 1.43 -0.12 -4.71 118.68 118.99 1p44 s LEU 88 Ca 0.13 0.27 0.16 0.00 -1.03 0.00 0.00 54.13 53.66 1p44 s LEU 88 Cb 0.01 -2.82 -0.24 0.00 0.03 0.00 0.00 46.19 43.16 1p44 s LEU 88 CO 0.09 0.20 0.40 0.47 0.23 0.00 0.00 176.35 177.73 1p44 n ASP 89 N 0.49 1.23 -3.48 2.29 10.43 0.15 -0.12 116.55 127.53 1p44 n ASP 89 Ca -0.07 -0.12 -0.11 0.00 2.57 0.00 0.00 54.79 57.06 1p44 n ASP 89 Cb 0.51 1.63 -0.03 0.00 1.84 0.00 0.00 41.12 45.08 1p44 n ASP 89 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1p44 s GLY 90 N -3.66 -0.52 -0.03 0.44 0.00 -1.21 -0.41 107.32 101.93 1p44 s GLY 90 Ca -0.04 0.97 -0.00 0.00 0.00 0.00 0.00 44.72 45.64 1p44 s GLY 90 CO 0.67 0.43 0.03 0.14 0.00 0.00 0.00 173.10 174.37 1p44 s VAL 91 N -2.88 -0.02 -0.22 1.40 1.01 -0.75 -1.37 120.40 117.56 1p44 s VAL 91 Ca 0.01 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1p44 s VAL 91 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1p44 s VAL 91 CO -0.07 0.12 -0.00 -0.69 0.00 0.00 0.00 175.10 174.47 1p44 s VAL 92 N 1.35 3.80 -0.48 2.92 1.01 0.13 -1.91 120.40 127.23 1p44 s VAL 92 Ca -0.05 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1p44 s VAL 92 Cb -0.13 -2.74 0.10 0.00 0.00 0.00 0.00 36.38 33.61 1p44 s VAL 92 CO -0.03 0.41 0.39 -2.28 0.00 0.00 0.00 175.10 173.59 1p44 s HIS 93 N 1.32 3.29 -0.58 5.22 2.46 -0.19 -2.00 115.29 124.81 1p44 s HIS 93 Ca 0.04 -1.25 0.05 0.00 0.47 0.00 0.00 55.06 54.37 1p44 s HIS 93 Cb -0.15 -3.35 0.34 0.00 -0.13 0.00 0.00 32.58 29.29 1p44 s HIS 93 CO 0.00 -0.89 0.94 0.45 -2.47 0.00 0.00 174.74 172.77 1p44 n SER 94 N 5.13 4.43 -4.05 9.88 2.88 -1.17 -2.77 113.62 127.95 1p44 n SER 94 Ca -0.12 -3.67 -0.31 0.00 -1.33 0.00 0.00 58.87 53.44 1p44 n SER 94 Cb 0.42 -0.56 -0.16 0.00 -0.75 0.00 0.00 64.21 63.15 1p44 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1p44 s ILE 95 N -4.39 1.69 -0.07 2.46 1.01 -1.26 -3.97 121.20 116.67 1p44 s ILE 95 Ca 0.49 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1p44 s ILE 95 Cb 0.28 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 41.22 1p44 s ILE 95 CO -0.13 0.48 0.17 -0.83 0.00 0.00 0.00 174.94 174.62 1p44 s GLY 96 N 1.39 -0.08 -0.17 6.18 0.00 -1.26 -4.58 107.32 108.80 1p44 s GLY 96 Ca 0.04 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.28 1p44 s GLY 96 CO -0.10 0.85 0.44 -0.12 0.00 0.00 0.00 173.10 174.16 1p44 s PHE 97 N 0.83 -0.51 -0.24 1.90 5.36 -1.26 -5.00 117.98 119.06 1p44 s PHE 97 Ca -0.06 1.21 -0.10 0.00 -0.96 0.00 0.00 56.93 57.03 1p44 s PHE 97 Cb -0.08 0.19 0.10 0.00 -0.34 0.00 0.00 43.02 42.89 1p44 s PHE 97 CO -0.04 -0.25 0.54 1.41 -1.46 0.00 0.00 175.22 175.41 1p44 s MET 98 N 0.44 0.48 0.37 10.12 -2.45 -1.26 -4.22 119.30 122.78 1p44 s MET 98 Ca -0.02 1.17 -0.28 0.00 -1.25 0.00 0.00 55.69 55.32 1p44 s MET 98 Cb -0.04 0.43 -0.11 0.00 1.25 0.00 0.00 34.83 36.36 1p44 s MET 98 CO -0.02 -0.20 1.46 -2.30 1.05 0.00 0.00 175.02 175.00 1p44 n PRO 99 N 5.07 2.58 0.05 4.11 -0.02 -1.26 -4.78 135.00 140.74 1p44 n PRO 99 Ca -0.14 0.90 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1p44 n PRO 99 Cb 0.52 -2.61 0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1p44 n PRO 99 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1p44 n GLN 100 N 0.50 0.02 0.00 -0.52 3.00 -1.26 0.94 117.38 120.07 1p44 n GLN 100 Ca 0.02 0.36 0.14 0.00 -0.01 0.00 0.00 57.00 57.51 1p44 n GLN 100 Cb 0.38 -1.82 0.58 0.00 0.00 0.00 0.00 30.24 29.38 1p44 n GLN 100 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1p44 n THR 101 N -1.49 0.00 -0.25 5.09 5.66 -1.26 -3.48 114.28 118.54 1p44 n THR 101 Ca -0.00 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1p44 n THR 101 Cb 0.25 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1p44 n THR 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1p44 n GLY 102 N 1.47 -0.73 0.00 1.09 0.00 0.27 -4.05 105.19 103.24 1p44 n GLY 102 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1p44 n GLY 102 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p44 n MET 103 N -0.02 2.30 0.00 1.61 0.00 -1.14 -1.09 117.12 118.78 1p44 n MET 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1p44 n MET 103 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.30 1p44 n MET 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1p44 n GLY 104 N 3.96 0.00 0.21 -5.12 0.00 -0.71 -3.63 105.19 99.89 1p44 n GLY 104 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1p44 n GLY 104 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1p44 h ILE 105 N 0.00 0.00 -3.89 -0.61 3.07 -1.86 -3.38 117.51 110.84 1p44 h ILE 105 Ca 0.00 -0.63 -0.52 0.00 1.55 0.00 0.00 64.86 65.26 1p44 h ILE 105 Cb 0.00 1.59 0.07 0.00 -0.27 0.00 0.00 36.82 38.21 1p44 h ILE 105 CO 0.00 0.00 0.63 0.21 -1.05 0.00 0.00 178.15 177.94 1p44 s ASN 106 N -5.45 6.70 0.86 2.16 2.47 -1.24 -4.98 114.94 115.46 1p44 s ASN 106 Ca 0.05 2.68 -0.12 0.00 0.42 0.00 0.00 52.86 55.90 1p44 s ASN 106 Cb 0.08 -2.65 0.12 0.00 -1.45 0.00 0.00 41.25 37.35 1p44 s ASN 106 CO 0.57 -0.58 1.18 -2.84 -3.72 0.00 0.00 177.10 171.71 1p44 s PRO 107 N -1.87 1.31 0.04 0.43 0.02 -1.26 -4.83 135.00 128.84 1p44 s PRO 107 Ca 0.50 1.66 -0.23 0.00 0.02 0.00 0.00 61.00 62.96 1p44 s PRO 107 Cb -0.39 -1.75 -0.15 0.00 0.02 0.00 0.00 34.50 32.23 1p44 s PRO 107 CO 0.52 -2.44 1.44 0.35 -0.33 0.00 0.00 177.00 176.54 1p44 h PHE 108 N -1.39 0.19 0.00 6.54 3.04 -1.94 -3.01 116.94 120.37 1p44 h PHE 108 Ca -0.45 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.47 1p44 h PHE 108 Cb 1.28 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1p44 h PHE 108 CO 0.48 0.46 0.00 1.19 -2.02 0.00 0.00 178.31 178.42 1p44 n PHE 109 N -4.80 0.82 1.13 0.41 3.72 -1.26 -3.38 117.46 114.10 1p44 n PHE 109 Ca -0.06 0.32 0.05 0.00 -0.05 0.00 0.00 57.45 57.71 1p44 n PHE 109 Cb 0.22 -1.02 0.17 0.00 -0.94 0.00 0.00 39.48 37.91 1p44 n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1p44 n ASP 110 N -2.25 1.51 -4.64 4.37 10.43 -1.14 -4.87 116.55 119.96 1p44 n ASP 110 Ca 0.02 -1.95 -0.40 0.00 2.57 0.00 0.00 54.79 55.04 1p44 n ASP 110 Cb 0.23 -0.18 -0.07 0.00 1.84 0.00 0.00 41.12 42.95 1p44 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1p44 s ALA 111 N -1.65 3.57 0.84 2.24 0.00 -1.22 -4.92 121.76 120.62 1p44 s ALA 111 Ca 0.21 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 1p44 s ALA 111 Cb 0.11 -2.87 0.10 0.00 0.00 0.00 0.00 23.12 20.46 1p44 s ALA 111 CO 0.15 -0.60 1.18 -2.14 0.00 0.00 0.00 175.76 174.35 1p44 s PRO 112 N 2.00 1.47 0.25 0.00 0.02 -1.26 -4.90 135.00 132.59 1p44 s PRO 112 Ca 0.23 1.66 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1p44 s PRO 112 Cb -0.16 -1.77 0.31 0.00 0.02 0.00 0.00 34.50 32.91 1p44 s PRO 112 CO 0.09 -2.32 1.60 -0.92 -0.33 0.00 0.00 177.00 175.12 1p44 h TYR 113 N -1.22 0.25 -0.21 6.54 3.20 -1.99 -2.99 116.97 120.55 1p44 h TYR 113 Ca -0.45 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.35 1p44 h TYR 113 Cb 1.28 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1p44 h TYR 113 CO 0.49 0.72 0.14 0.00 -1.64 0.00 0.00 178.16 177.87 1p44 h ALA 114 N 1.26 1.96 0.06 1.82 0.00 -1.99 0.28 119.26 122.64 1p44 h ALA 114 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1p44 h ALA 114 Cb 1.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1p44 h ALA 114 CO 0.09 0.01 -1.06 -0.44 0.00 0.00 0.00 179.25 177.85 1p44 h ASP 115 N 0.20 0.37 -0.17 0.00 3.45 -1.90 -2.92 116.42 115.45 1p44 h ASP 115 Ca 0.09 -0.34 -0.20 0.00 0.43 0.00 0.00 57.03 57.00 1p44 h ASP 115 Cb 0.11 -0.12 0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1p44 h ASP 115 CO -0.02 1.21 -0.68 0.58 -1.57 0.00 0.00 179.24 178.76 1p44 h VAL 116 N 0.11 1.29 -0.95 -1.35 2.07 -1.22 -2.76 116.25 113.45 1p44 h VAL 116 Ca -0.09 -1.89 0.02 0.00 0.82 0.00 0.00 66.70 65.57 1p44 h VAL 116 Cb 1.75 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 1p44 h VAL 116 CO 0.17 0.60 0.62 -1.28 0.02 0.00 0.00 177.57 177.70 1p44 h SER 117 N 0.49 1.05 0.90 0.57 0.87 -0.52 -1.36 113.55 115.56 1p44 h SER 117 Ca -0.04 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.37 1p44 h SER 117 Cb 1.31 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1p44 h SER 117 CO 0.14 0.74 -0.65 0.50 -0.53 0.00 0.00 176.83 177.03 1p44 h LYS 118 N 1.23 0.00 -0.04 2.24 3.64 -1.51 -0.54 116.57 121.59 1p44 h LYS 118 Ca 0.36 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.59 1p44 h LYS 118 Cb -0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1p44 h LYS 118 CO -0.10 0.65 -0.64 0.78 -2.27 0.00 0.00 179.45 177.87 1p44 h GLY 119 N 2.46 0.19 0.89 5.01 0.00 -1.07 -1.61 103.07 108.94 1p44 h GLY 119 Ca -0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.82 1p44 h GLY 119 CO 0.08 0.22 -1.13 -2.22 0.00 0.00 0.00 176.54 173.50 1p44 h ILE 120 N 0.12 1.38 -0.52 2.60 2.04 -1.19 0.94 117.51 122.87 1p44 h ILE 120 Ca -0.01 -2.59 0.08 0.00 1.00 0.00 0.00 64.86 63.34 1p44 h ILE 120 Cb 1.16 3.10 -0.07 0.00 -0.74 0.00 0.00 36.82 40.27 1p44 h ILE 120 CO 0.10 0.76 0.16 -0.74 0.00 0.00 0.00 178.15 178.42 1p44 h HIS 121 N -0.16 0.27 0.04 1.37 2.76 -1.04 0.86 115.15 119.25 1p44 h HIS 121 Ca -0.20 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.76 1p44 h HIS 121 Cb 1.86 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.75 1p44 h HIS 121 CO 0.17 0.06 -1.18 0.82 -1.30 0.00 0.00 177.93 176.50 1p44 h ILE 122 N 0.32 1.53 0.13 6.26 2.04 -1.37 -1.94 117.51 124.47 1p44 h ILE 122 Ca 0.26 -3.22 -0.34 0.00 1.00 0.00 0.00 64.86 62.56 1p44 h ILE 122 Cb 0.32 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1p44 h ILE 122 CO -0.29 0.89 -1.81 0.28 0.00 0.00 0.00 178.15 177.23 1p44 h SER 123 N 0.02 0.41 0.00 1.72 0.02 -0.26 -3.40 113.55 112.07 1p44 h SER 123 Ca -0.09 -0.75 -0.22 0.00 -0.84 0.00 0.00 61.79 59.89 1p44 h SER 123 Cb 1.86 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 64.23 1p44 h SER 123 CO 0.14 1.66 -1.62 0.00 -1.14 0.00 0.00 176.83 175.86 1p44 n ALA 124 N -2.84 1.83 -0.09 3.77 0.00 0.29 -4.73 120.51 118.74 1p44 n ALA 124 Ca -0.25 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 1p44 n ALA 124 Cb 1.06 0.23 0.18 0.00 0.00 0.00 0.00 19.45 20.92 1p44 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1p44 h TYR 125 N -0.62 0.80 0.00 0.00 3.20 -1.37 -2.74 116.97 116.23 1p44 h TYR 125 Ca -0.33 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 1p44 h TYR 125 Cb 1.19 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 1p44 h TYR 125 CO -0.11 0.73 -0.00 0.66 -1.64 0.00 0.00 178.16 177.80 1p44 h SER 126 N 0.71 0.00 -0.34 -2.11 4.64 -1.56 -0.18 113.55 114.72 1p44 h SER 126 Ca 0.14 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1p44 h SER 126 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1p44 h SER 126 CO 0.02 0.00 -0.01 0.22 -0.87 0.00 0.00 176.83 176.19 1p44 h TYR 127 N 0.00 0.66 -0.04 4.77 3.20 -1.77 0.57 116.97 124.35 1p44 h TYR 127 Ca -0.00 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.63 1p44 h TYR 127 Cb 0.02 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1p44 h TYR 127 CO 0.00 0.72 -0.52 0.00 -1.64 0.00 0.00 178.16 176.72 1p44 h ALA 128 N 0.85 1.05 0.59 1.82 0.00 -1.19 -2.92 119.26 119.46 1p44 h ALA 128 Ca 0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1p44 h ALA 128 Cb 0.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1p44 h ALA 128 CO 0.02 0.66 -0.28 0.77 0.00 0.00 0.00 179.25 180.42 1p44 h SER 129 N 0.10 -0.67 0.03 0.00 0.02 -0.98 -0.70 113.55 111.35 1p44 h SER 129 Ca 0.00 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1p44 h SER 129 Cb 0.96 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 1p44 h SER 129 CO 0.07 -0.30 -0.50 0.24 -1.14 0.00 0.00 176.83 175.21 1p44 h MET 130 N -1.10 -0.63 -1.05 3.45 2.07 -0.96 0.21 114.93 116.92 1p44 h MET 130 Ca -0.08 0.04 0.28 0.00 -2.07 0.00 0.00 59.70 57.87 1p44 h MET 130 Cb 0.66 0.14 -0.08 0.00 -1.87 0.00 0.00 31.60 30.45 1p44 h MET 130 CO 0.13 -0.42 0.70 0.00 1.07 0.00 0.00 176.91 178.39 1p44 h ALA 131 N -0.52 2.42 -0.32 6.32 0.00 -1.58 0.43 119.26 126.00 1p44 h ALA 131 Ca 0.01 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1p44 h ALA 131 Cb 0.69 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1p44 h ALA 131 CO -0.32 -0.80 -0.41 -0.22 0.00 0.00 0.00 179.25 177.49 1p44 h LYS 132 N 0.30 0.80 -0.00 0.00 3.64 0.58 0.06 116.57 121.95 1p44 h LYS 132 Ca 0.57 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1p44 h LYS 132 Cb 1.64 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1p44 h LYS 132 CO -0.22 1.06 -0.09 0.00 -2.27 0.00 0.00 179.45 177.93 1p44 h ALA 133 N 0.88 0.01 0.00 5.00 0.00 0.13 -3.36 119.26 121.92 1p44 h ALA 133 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1p44 h ALA 133 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1p44 h ALA 133 CO 0.09 -0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.23 1p44 h LEU 134 N -0.66 0.00 -0.52 0.00 3.38 -0.50 -3.37 115.31 113.65 1p44 h LEU 134 Ca -0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1p44 h LEU 134 Cb 0.85 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 1p44 h LEU 134 CO 0.02 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1p44 h LEU 135 N 0.00 -0.22 0.00 1.67 5.85 -1.13 -1.68 115.31 119.80 1p44 h LEU 135 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1p44 h LEU 135 Cb 0.97 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1p44 h LEU 135 CO 0.00 -0.08 0.00 -2.65 -0.34 0.00 0.00 178.44 175.37 1p44 n PRO 136 N -5.24 0.01 -2.26 5.25 -0.02 -1.26 -2.61 135.00 128.87 1p44 n PRO 136 Ca 0.06 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1p44 n PRO 136 Cb 0.28 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.30 1p44 n PRO 136 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1p44 n ILE 137 N -1.44 1.94 -4.36 4.25 -5.35 -0.64 -5.05 119.36 108.71 1p44 n ILE 137 Ca 0.01 -3.56 -0.26 0.00 -0.27 0.00 0.00 62.75 58.66 1p44 n ILE 137 Cb 0.03 -0.07 -0.10 0.00 -1.74 0.00 0.00 39.64 37.75 1p44 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1p44 s MET 138 N -3.55 1.80 0.34 6.28 -1.94 -1.07 -0.95 119.30 120.21 1p44 s MET 138 Ca 0.41 -1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 52.84 1p44 s MET 138 Cb 0.37 -1.99 -0.07 0.00 2.01 0.00 0.00 34.83 35.15 1p44 s MET 138 CO -0.00 0.41 0.70 -0.80 -0.01 0.00 0.00 175.02 175.31 1p44 s ASN 139 N -2.85 6.60 0.35 3.03 0.01 0.82 -4.81 114.94 118.10 1p44 s ASN 139 Ca 0.24 1.09 -0.28 0.00 -0.71 0.00 0.00 52.86 53.20 1p44 s ASN 139 Cb -0.08 -2.30 -0.10 0.00 0.41 0.00 0.00 41.25 39.18 1p44 s ASN 139 CO 0.13 -0.27 1.35 -2.16 -1.51 0.00 0.00 177.10 174.65 1p44 s PRO 140 N -3.39 4.26 0.00 -0.60 0.04 -1.26 -0.93 135.00 133.11 1p44 s PRO 140 Ca 0.51 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1p44 s PRO 140 Cb -0.10 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1p44 s PRO 140 CO 0.25 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1p44 n GLY 141 N 0.70 1.42 3.69 0.56 0.00 0.74 -4.98 105.19 107.33 1p44 n GLY 141 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1p44 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p44 s GLY 142 N -1.88 1.63 0.03 -0.02 0.00 -0.11 -4.82 107.32 102.14 1p44 s GLY 142 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 44.72 43.62 1p44 s GLY 142 CO 0.00 -0.13 0.32 -1.35 0.00 0.00 0.00 173.10 171.93 1p44 s SER 143 N -4.13 -0.16 0.07 1.64 1.04 0.45 -1.40 113.70 111.21 1p44 s SER 143 Ca 0.71 -0.09 0.08 0.00 0.48 0.00 0.00 55.95 57.13 1p44 s SER 143 Cb -0.09 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 1p44 s SER 143 CO 0.55 -0.57 -0.22 -0.63 0.98 0.00 0.00 173.24 173.35 1p44 s ILE 144 N -2.19 2.55 -0.14 -1.02 1.01 0.31 -1.81 121.20 119.90 1p44 s ILE 144 Ca -0.07 -1.37 -0.10 0.00 0.00 0.00 0.00 60.65 59.11 1p44 s ILE 144 Cb -0.02 -2.07 0.05 0.00 0.01 0.00 0.00 42.46 40.42 1p44 s ILE 144 CO -0.01 0.28 0.36 0.54 0.00 0.00 0.00 174.94 176.11 1p44 s VAL 145 N -0.94 -0.02 0.42 2.92 0.11 -0.80 -1.06 120.40 121.03 1p44 s VAL 145 Ca 0.14 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 1p44 s VAL 145 Cb -0.10 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1p44 s VAL 145 CO 0.05 0.02 0.16 -0.83 -3.33 0.00 0.00 175.10 171.18 1p44 s GLY 146 N 0.81 2.37 -0.15 6.54 0.00 -0.26 -1.02 107.32 115.61 1p44 s GLY 146 Ca -0.05 -2.09 -0.07 0.00 0.00 0.00 0.00 44.72 42.50 1p44 s GLY 146 CO -0.06 -1.94 0.11 1.06 0.00 0.00 0.00 173.10 172.28 1p44 s MET 147 N -3.89 3.68 0.22 2.90 -1.94 -1.11 0.24 119.30 119.40 1p44 s MET 147 Ca 0.40 -0.21 0.03 0.00 -1.71 0.00 0.00 55.69 54.19 1p44 s MET 147 Cb 0.04 -3.22 -0.05 0.00 2.01 0.00 0.00 34.83 33.61 1p44 s MET 147 CO 0.22 0.56 0.01 0.34 -0.01 0.00 0.00 175.02 176.15 1p44 s ASP 148 N -0.42 1.61 -0.23 3.03 3.68 0.81 -4.83 116.67 120.31 1p44 s ASP 148 Ca 0.11 -1.24 -0.03 0.00 2.13 0.00 0.00 52.55 53.52 1p44 s ASP 148 Cb -0.12 0.05 0.10 0.00 -1.45 0.00 0.00 42.92 41.51 1p44 s ASP 148 CO 0.02 -0.56 0.20 0.12 0.13 0.00 0.00 175.17 175.07 1p44 s PHE 149 N -3.52 -0.12 -0.89 -5.34 2.19 -1.26 -1.43 117.98 107.62 1p44 s PHE 149 Ca 0.29 -0.18 -0.29 0.00 0.33 0.00 0.00 56.93 57.08 1p44 s PHE 149 Cb 0.06 -0.55 -0.20 0.00 -1.31 0.00 0.00 43.02 41.02 1p44 s PHE 149 CO 0.08 -0.71 2.42 -3.47 1.83 0.00 0.00 175.22 175.38 1p44 n ASP 150 N 5.30 0.28 -1.34 6.13 4.64 -1.26 -4.85 116.55 125.45 1p44 n ASP 150 Ca -0.05 0.18 0.06 0.00 -1.38 0.00 0.00 54.79 53.61 1p44 n ASP 150 Cb 0.47 -0.83 0.28 0.00 -1.04 0.00 0.00 41.12 40.00 1p44 n ASP 150 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1p44 n PRO 151 N 7.66 3.28 0.00 -0.67 -0.04 -1.26 -4.46 135.00 139.50 1p44 n PRO 151 Ca 0.59 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1p44 n PRO 151 Cb 0.02 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1p44 n PRO 151 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1p44 n SER 152 N 0.70 0.00 -3.78 3.54 7.64 -1.26 -4.58 113.62 115.87 1p44 n SER 152 Ca 0.20 0.37 -0.13 0.00 1.01 0.00 0.00 58.87 60.32 1p44 n SER 152 Cb 0.77 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 63.49 1p44 n SER 152 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1p44 s ARG 153 N -2.73 0.42 0.69 1.43 0.52 -1.26 -5.15 118.95 112.87 1p44 s ARG 153 Ca 0.00 0.18 -0.14 0.00 -0.52 0.00 0.00 55.73 55.25 1p44 s ARG 153 Cb 0.00 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.68 1p44 s ARG 153 CO 0.00 -0.08 1.12 0.00 0.02 0.00 0.00 175.30 176.36 1p44 s ALA 154 N -0.33 2.37 0.10 2.13 0.00 -1.26 -5.04 121.76 119.73 1p44 s ALA 154 Ca -0.04 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 1p44 s ALA 154 Cb -0.03 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1p44 s ALA 154 CO 0.01 -1.47 0.54 0.00 0.00 0.00 0.00 175.76 174.85 1p44 s MET 155 N -4.25 1.15 0.54 0.00 0.23 -1.26 -5.15 119.30 110.56 1p44 s MET 155 Ca 0.66 -0.40 -0.19 0.00 -1.03 0.00 0.00 55.69 54.73 1p44 s MET 155 Cb -0.21 0.52 -0.06 0.00 -1.53 0.00 0.00 34.83 33.56 1p44 s MET 155 CO 0.45 -0.46 1.11 -1.25 -2.03 0.00 0.00 175.02 172.85 1p44 s PRO 156 N -3.20 3.40 0.00 3.16 0.04 -1.26 -4.11 135.00 133.03 1p44 s PRO 156 Ca -0.01 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1p44 s PRO 156 Cb -0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1p44 s PRO 156 CO -0.08 -0.80 0.00 0.00 0.04 0.00 0.00 177.00 176.16 1p44 n ALA 157 N -1.30 0.00 0.27 8.56 0.00 -1.26 -4.65 120.51 122.12 1p44 n ALA 157 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1p44 n ALA 157 Cb 0.51 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.71 1p44 n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1p44 h TYR 158 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -1.90 116.97 113.22 1p44 h TYR 158 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1p44 h TYR 158 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1p44 h TYR 158 CO 0.00 0.05 0.00 0.09 -0.00 0.00 0.00 178.16 178.30 1p44 n ASN 159 N -4.04 0.00 0.11 -2.11 3.02 -1.26 -0.50 115.26 110.48 1p44 n ASN 159 Ca -0.03 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.63 1p44 n ASN 159 Cb 0.14 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.77 1p44 n ASN 159 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1p44 n TRP 160 N 1.89 0.63 0.12 3.10 7.02 -0.25 -1.19 117.44 128.76 1p44 n TRP 160 Ca 0.00 0.26 -0.03 0.00 -1.02 0.00 0.00 57.50 56.71 1p44 n TRP 160 Cb 0.00 -0.92 0.10 0.00 -2.42 0.00 0.00 31.31 28.07 1p44 n TRP 160 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 1p44 h MET 161 N 0.00 0.03 -0.36 -0.99 4.05 -0.91 -1.15 114.93 115.60 1p44 h MET 161 Ca 0.00 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1p44 h MET 161 Cb 0.27 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1p44 h MET 161 CO 0.00 0.72 0.03 1.15 0.23 0.00 0.00 176.91 179.04 1p44 h THR 162 N 0.02 1.25 0.00 -0.77 2.02 -0.95 -0.62 112.91 113.86 1p44 h THR 162 Ca -0.01 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.18 1p44 h THR 162 Cb 1.24 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1p44 h THR 162 CO 0.09 0.30 -0.38 0.58 0.37 0.00 0.00 175.52 176.48 1p44 h VAL 163 N 0.44 1.27 -0.19 3.16 2.07 -1.38 -2.18 116.25 119.43 1p44 h VAL 163 Ca 0.11 -1.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1p44 h VAL 163 Cb 0.41 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1p44 h VAL 163 CO 0.01 0.37 -0.43 0.00 0.02 0.00 0.00 177.57 177.54 1p44 h ALA 164 N 1.62 0.90 0.00 1.67 0.00 -0.56 -2.82 119.26 120.06 1p44 h ALA 164 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1p44 h ALA 164 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1p44 h ALA 164 CO 0.05 0.64 -0.76 0.87 0.00 0.00 0.00 179.25 180.05 1p44 h LYS 165 N 0.37 0.00 -0.33 0.00 1.79 -0.76 -2.37 116.57 115.28 1p44 h LYS 165 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1p44 h LYS 165 Cb 0.91 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1p44 h LYS 165 CO 0.08 0.76 0.13 0.77 -1.08 0.00 0.00 179.45 180.10 1p44 h SER 166 N 0.00 0.45 -0.21 0.86 0.02 -1.23 -1.21 113.55 112.24 1p44 h SER 166 Ca -0.01 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1p44 h SER 166 Cb 1.35 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1p44 h SER 166 CO 0.10 0.50 0.03 0.00 -1.14 0.00 0.00 176.83 176.32 1p44 h ALA 167 N 0.97 1.48 -0.18 3.77 0.00 -1.44 -1.58 119.26 122.28 1p44 h ALA 167 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1p44 h ALA 167 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1p44 h ALA 167 CO -0.01 0.38 0.08 1.25 0.00 0.00 0.00 179.25 180.95 1p44 h LEU 168 N 0.45 0.23 -1.14 0.00 6.46 -0.81 0.92 115.31 121.42 1p44 h LEU 168 Ca 0.10 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1p44 h LEU 168 Cb 0.25 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1p44 h LEU 168 CO 0.00 0.29 0.48 -0.33 -0.62 0.00 0.00 178.44 178.27 1p44 h GLU 169 N 0.15 1.06 -0.23 1.25 5.08 -0.88 0.33 114.58 121.35 1p44 h GLU 169 Ca 0.06 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1p44 h GLU 169 Cb 0.12 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1p44 h GLU 169 CO -0.01 0.74 -0.53 1.03 -1.00 0.00 0.00 179.01 179.25 1p44 h SER 170 N 1.08 0.86 -0.71 1.42 0.87 -0.60 -3.00 113.55 113.46 1p44 h SER 170 Ca 0.28 -0.56 -0.06 0.00 -1.23 0.00 0.00 61.79 60.22 1p44 h SER 170 Cb -0.05 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 1p44 h SER 170 CO -0.05 1.26 0.20 0.58 -0.53 0.00 0.00 176.83 178.29 1p44 h VAL 171 N 0.49 1.26 -1.00 2.23 2.07 0.13 -2.98 116.25 118.44 1p44 h VAL 171 Ca -0.00 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.69 1p44 h VAL 171 Cb 1.14 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1p44 h VAL 171 CO 0.12 0.36 0.64 -1.13 0.02 0.00 0.00 177.57 177.57 1p44 h ASN 172 N 1.07 0.97 -0.23 0.57 -1.24 -0.24 -1.54 115.58 114.93 1p44 h ASN 172 Ca 0.23 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1p44 h ASN 172 Cb 0.34 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1p44 h ASN 172 CO -0.00 0.55 0.08 0.03 -1.29 0.00 0.00 177.43 176.80 1p44 h ARG 173 N 1.06 0.42 0.11 6.67 3.08 -1.39 -2.23 114.38 122.10 1p44 h ARG 173 Ca 0.47 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 60.20 1p44 h ARG 173 Cb 0.38 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1p44 h ARG 173 CO -0.23 0.39 -1.25 0.74 -1.07 0.00 0.00 179.97 178.55 1p44 h PHE 174 N 0.42 0.41 -0.97 3.04 -1.00 -1.36 -3.21 116.94 114.26 1p44 h PHE 174 Ca 0.10 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1p44 h PHE 174 Cb 0.15 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.65 1p44 h PHE 174 CO 0.00 1.25 0.62 0.28 -1.61 0.00 0.00 178.31 178.85 1p44 h VAL 175 N 0.06 1.26 -0.56 -0.55 2.07 -0.97 -1.14 116.25 116.42 1p44 h VAL 175 Ca -0.13 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1p44 h VAL 175 Cb 1.95 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1p44 h VAL 175 CO 0.19 0.26 0.29 0.00 0.02 0.00 0.00 177.57 178.33 1p44 h ALA 176 N 1.34 1.46 -0.52 1.67 0.00 -1.47 0.45 119.26 122.20 1p44 h ALA 176 Ca 0.35 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1p44 h ALA 176 Cb -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1p44 h ALA 176 CO -0.07 0.44 0.13 -0.09 0.00 0.00 0.00 179.25 179.65 1p44 h ARG 177 N 0.78 0.82 -0.03 0.00 2.43 -1.23 -0.25 114.38 116.91 1p44 h ARG 177 Ca 0.20 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1p44 h ARG 177 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1p44 h ARG 177 CO -0.03 0.79 -0.76 0.93 -1.51 0.00 0.00 179.97 179.39 1p44 h GLU 178 N 0.72 0.20 0.00 0.20 4.39 -0.83 -3.09 114.58 116.17 1p44 h GLU 178 Ca 0.16 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1p44 h GLU 178 Cb 0.33 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1p44 h GLU 178 CO 0.00 0.87 0.00 0.00 -1.16 0.00 0.00 179.01 178.72 1p44 h ALA 179 N 1.08 1.00 0.00 3.43 0.00 0.24 -3.06 119.26 121.95 1p44 h ALA 179 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1p44 h ALA 179 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1p44 h ALA 179 CO 0.12 0.00 -0.58 0.78 0.00 0.00 0.00 179.25 179.56 1p44 h GLY 180 N 2.79 0.00 0.35 0.00 0.00 -0.96 0.17 103.07 105.41 1p44 h GLY 180 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p44 h GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1p44 n LYS 181 N -3.65 0.47 0.00 4.80 5.02 -1.16 -1.30 118.16 122.35 1p44 n LYS 181 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1p44 n LYS 181 Cb 0.62 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1p44 n LYS 181 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1p44 n TYR 182 N -0.67 0.00 -2.31 2.13 4.02 -1.08 -5.01 117.16 114.24 1p44 n TYR 182 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1p44 n TYR 182 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1p44 n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1p44 n GLY 183 N 0.11 0.33 3.61 2.72 0.00 -0.42 -4.18 105.19 107.36 1p44 n GLY 183 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1p44 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p44 s VAL 184 N -2.51 3.56 0.07 1.61 1.01 0.56 0.26 120.40 124.96 1p44 s VAL 184 Ca 0.04 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1p44 s VAL 184 Cb -0.02 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1p44 s VAL 184 CO 0.05 0.13 0.20 -0.13 0.00 0.00 0.00 175.10 175.35 1p44 s ARG 185 N -2.19 3.36 -0.13 2.72 0.52 -0.49 -3.96 118.95 118.78 1p44 s ARG 185 Ca 0.22 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1p44 s ARG 185 Cb -0.11 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.41 1p44 s ARG 185 CO 0.15 0.59 0.03 0.45 0.02 0.00 0.00 175.30 176.54 1p44 s SER 186 N -2.59 2.16 0.07 0.23 0.15 -1.26 0.11 113.70 112.57 1p44 s SER 186 Ca 0.34 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 1p44 s SER 186 Cb -0.13 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.70 1p44 s SER 186 CO 0.27 -0.26 0.04 0.20 1.20 0.00 0.00 173.24 174.69 1p44 s ASN 187 N 1.96 0.37 0.12 5.45 0.01 -0.22 0.23 114.94 122.86 1p44 s ASN 187 Ca 0.02 -0.92 0.10 0.00 -0.71 0.00 0.00 52.86 51.35 1p44 s ASN 187 Cb -0.15 0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.72 1p44 s ASN 187 CO -0.07 -0.65 -0.22 -0.76 -1.51 0.00 0.00 177.10 173.90 1p44 s LEU 188 N -2.91 2.53 -0.28 0.60 1.02 -0.45 -1.10 118.68 118.08 1p44 s LEU 188 Ca 0.08 -0.63 -0.02 0.00 0.02 0.00 0.00 54.13 53.58 1p44 s LEU 188 Cb 0.07 -1.41 0.04 0.00 0.02 0.00 0.00 46.19 44.91 1p44 s LEU 188 CO -0.09 0.19 -0.02 -0.69 0.02 0.00 0.00 176.35 175.75 1p44 s VAL 189 N -1.09 2.96 -0.84 -1.59 1.01 0.14 -1.30 120.40 119.69 1p44 s VAL 189 Ca 0.16 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 1p44 s VAL 189 Cb -0.10 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1p44 s VAL 189 CO 0.08 0.01 1.32 0.00 0.00 0.00 0.00 175.10 176.50 1p44 s ALA 190 N 1.28 2.78 0.70 5.51 0.00 -0.00 -0.14 121.76 131.89 1p44 s ALA 190 Ca -0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.06 1p44 s ALA 190 Cb -0.19 -4.33 0.01 0.00 0.00 0.00 0.00 23.12 18.62 1p44 s ALA 190 CO -0.02 -3.37 1.06 0.00 0.00 0.00 0.00 175.76 173.43 1p44 s ALA 191 N 5.28 2.69 0.69 0.00 0.00 -0.51 -1.83 121.76 128.07 1p44 s ALA 191 Ca 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1p44 s ALA 191 Cb -0.06 -3.14 0.09 0.00 0.00 0.00 0.00 23.12 20.01 1p44 s ALA 191 CO 0.05 -1.21 0.58 0.41 0.00 0.00 0.00 175.76 175.58 1p44 n GLY 192 N -2.17 0.16 3.62 0.00 0.00 -1.07 -4.69 105.19 101.06 1p44 n GLY 192 Ca 0.07 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1p44 n GLY 192 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p44 s PRO 193 N -4.02 3.88 -0.25 1.61 0.04 -1.26 -4.99 135.00 130.01 1p44 s PRO 193 Ca 0.36 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.44 1p44 s PRO 193 Cb -0.02 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 1p44 s PRO 193 CO 0.25 -1.17 0.09 0.42 0.04 0.00 0.00 177.00 176.63 1p44 s ILE 194 N 4.41 4.47 -0.66 0.56 -1.09 -1.25 -4.29 121.20 123.34 1p44 s ILE 194 Ca 0.54 -0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 1p44 s ILE 194 Cb -0.15 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1p44 s ILE 194 CO 0.24 0.32 1.97 -0.60 -1.23 0.00 0.00 174.94 175.65 1p44 s ARG 195 N 1.64 2.50 0.75 2.79 3.52 0.79 -4.93 118.95 126.01 1p44 s ARG 195 Ca 0.06 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1p44 s ARG 195 Cb -0.15 -4.55 0.14 0.00 -1.56 0.00 0.00 34.95 28.83 1p44 s ARG 195 CO 0.05 -3.00 1.03 0.95 -0.81 0.00 0.00 175.30 173.52 1p44 s THR 196 N 9.93 2.06 0.03 4.11 -4.23 -1.26 -4.81 115.64 121.45 1p44 s THR 196 Ca 0.73 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 60.50 1p44 s THR 196 Cb -0.12 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1p44 s THR 196 CO 0.17 0.00 1.25 0.25 -0.54 0.00 0.00 174.62 175.75 1p44 h LEU 197 N -0.64 -0.51 -4.66 4.79 7.12 -1.92 -0.93 115.31 118.56 1p44 h LEU 197 Ca -0.36 0.02 -0.11 0.00 0.13 0.00 0.00 57.88 57.56 1p44 h LEU 197 Cb 1.26 0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.50 1p44 h LEU 197 CO 0.38 -0.35 0.35 0.00 -0.13 0.00 0.00 178.44 178.68 1p44 n ALA 198 N -2.31 3.50 0.00 1.25 0.00 -1.26 -2.06 120.51 119.63 1p44 n ALA 198 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1p44 n ALA 198 Cb 0.23 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1p44 n ALA 198 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1p44 n MET 199 N 2.95 0.00 0.15 0.00 0.00 -1.11 -4.92 117.12 114.20 1p44 n MET 199 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 1p44 n MET 199 Cb 0.38 0.00 0.26 0.00 0.00 0.00 0.00 33.22 33.86 1p44 n MET 199 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1p44 h SER 200 N 0.00 0.03 -0.76 6.12 4.64 -0.58 -3.03 113.55 119.97 1p44 h SER 200 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1p44 h SER 200 Cb 0.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1p44 h SER 200 CO 0.00 0.51 0.45 0.00 -0.87 0.00 0.00 176.83 176.92 1p44 h ALA 201 N 1.49 0.97 -0.70 5.18 0.00 -1.84 -2.95 119.26 121.41 1p44 h ALA 201 Ca -0.00 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1p44 h ALA 201 Cb 0.86 -0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1p44 h ALA 201 CO 0.06 0.45 -0.47 0.82 0.00 0.00 0.00 179.25 180.11 1p44 h ILE 202 N 1.05 0.05 0.00 0.00 5.03 -1.88 0.51 117.51 122.27 1p44 h ILE 202 Ca 0.27 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.97 1p44 h ILE 202 Cb -0.03 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 33.81 1p44 h ILE 202 CO -0.05 0.00 -0.20 1.62 -0.68 0.00 0.00 178.15 178.84 1p44 h VAL 203 N -0.17 1.03 0.00 1.67 3.04 -1.70 -2.31 116.25 117.82 1p44 h VAL 203 Ca 0.19 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1p44 h VAL 203 Cb 0.54 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1p44 h VAL 203 CO -0.77 0.20 0.04 0.61 -1.01 0.00 0.00 177.57 176.64 1p44 n GLY 204 N -0.84 -0.66 0.00 3.17 0.00 0.18 -4.80 105.19 102.23 1p44 n GLY 204 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1p44 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 205 N -1.37 2.19 0.00 -0.02 0.00 -0.87 -4.97 105.19 100.15 1p44 n GLY 205 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1p44 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 206 N -0.36 1.13 0.70 4.61 0.00 -1.23 0.43 120.51 125.78 1p44 n ALA 206 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1p44 n ALA 206 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1p44 n ALA 206 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1p44 n LEU 207 N -1.32 0.69 0.00 0.00 7.94 -1.24 -5.00 117.00 118.06 1p44 n LEU 207 Ca 0.00 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1p44 n LEU 207 Cb 0.01 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1p44 n LEU 207 CO 0.00 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 1p44 n GLY 208 N 1.42 1.10 0.38 -3.96 0.00 0.17 -4.44 105.19 99.85 1p44 n GLY 208 Ca 0.02 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 1p44 n GLY 208 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p44 h GLU 209 N 0.00 -0.88 0.00 1.61 4.81 -1.97 -2.47 114.58 115.68 1p44 h GLU 209 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1p44 h GLU 209 Cb 0.00 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1p44 h GLU 209 CO 0.00 -0.57 0.00 0.39 -0.73 0.00 0.00 179.01 178.10 1p44 n GLU 210 N -5.39 0.00 -0.49 1.92 4.71 -1.26 -2.06 120.64 118.07 1p44 n GLU 210 Ca -0.12 0.00 0.42 0.00 -0.01 0.00 0.00 57.16 57.45 1p44 n GLU 210 Cb 0.37 -0.48 0.76 0.00 -1.01 0.00 0.00 31.44 31.07 1p44 n GLU 210 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1p44 h ALA 211 N -2.87 3.33 0.00 0.62 0.00 -1.78 0.78 119.26 119.34 1p44 h ALA 211 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p44 h ALA 211 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p44 h ALA 211 CO 0.00 -1.79 0.00 0.78 0.00 0.00 0.00 179.25 178.24 1p44 h GLY 212 N 0.03 0.00 0.26 0.00 0.00 -1.03 -1.61 103.07 100.72 1p44 h GLY 212 Ca 0.74 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.71 1p44 h GLY 212 CO -0.07 0.00 -2.25 0.00 0.00 0.00 0.00 176.54 174.22 1p44 n ALA 213 N -1.83 1.36 0.33 3.60 0.00 0.27 -3.77 120.51 120.47 1p44 n ALA 213 Ca 0.01 -1.03 -0.18 0.00 0.00 0.00 0.00 53.44 52.24 1p44 n ALA 213 Cb 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 1p44 n ALA 213 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1p44 h GLN 214 N 0.01 -0.93 -0.74 0.00 4.15 -1.07 -1.66 115.11 114.87 1p44 h GLN 214 Ca -0.50 0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.08 1p44 h GLN 214 Cb 2.05 0.21 -0.07 0.00 0.21 0.00 0.00 27.48 29.88 1p44 h GLN 214 CO 0.00 -0.62 0.37 0.82 -1.93 0.00 0.00 178.83 177.48 1p44 h ILE 215 N -0.97 0.84 -0.29 2.39 5.03 -1.51 -1.51 117.51 121.49 1p44 h ILE 215 Ca -0.07 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1p44 h ILE 215 Cb 0.81 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.75 1p44 h ILE 215 CO 0.02 0.11 0.19 1.56 -0.68 0.00 0.00 178.15 179.36 1p44 h GLN 216 N 0.62 0.38 -0.35 2.37 4.20 -1.56 -2.25 115.11 118.53 1p44 h GLN 216 Ca 0.37 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.91 1p44 h GLN 216 Cb 0.40 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1p44 h GLN 216 CO -0.28 0.25 -0.35 1.25 -0.67 0.00 0.00 178.83 179.03 1p44 h LEU 217 N 0.40 0.86 -0.94 1.46 7.12 -0.33 0.02 115.31 123.90 1p44 h LEU 217 Ca 0.11 -0.37 -0.08 0.00 0.13 0.00 0.00 57.88 57.66 1p44 h LEU 217 Cb -0.05 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 39.83 1p44 h LEU 217 CO -0.02 1.12 -0.10 -0.07 -0.13 0.00 0.00 178.44 179.24 1p44 h LEU 218 N 0.68 0.64 0.25 2.25 -0.00 -1.21 -1.60 115.31 116.32 1p44 h LEU 218 Ca 0.06 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 1p44 h LEU 218 Cb 0.91 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1p44 h LEU 218 CO 0.08 0.78 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.85 1p44 h GLU 219 N 0.60 -0.32 -0.77 1.13 5.08 -1.30 -2.90 114.58 116.10 1p44 h GLU 219 Ca 0.11 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.71 1p44 h GLU 219 Cb 0.53 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1p44 h GLU 219 CO 0.03 -0.16 0.59 1.49 -1.00 0.00 0.00 179.01 179.96 1p44 h GLU 220 N -1.07 0.00 -0.16 2.33 4.81 -1.05 0.32 114.58 119.76 1p44 h GLU 220 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1p44 h GLU 220 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1p44 h GLU 220 CO 0.06 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.75 1p44 n GLY 221 N -1.67 0.64 0.12 1.92 0.00 -0.60 -3.77 105.19 101.83 1p44 n GLY 221 Ca 0.16 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1p44 n GLY 221 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1p44 n TRP 222 N 0.70 1.08 0.30 1.61 -0.00 0.11 -2.95 117.44 118.29 1p44 n TRP 222 Ca 0.17 0.38 0.19 0.00 -0.00 0.00 0.00 57.50 58.24 1p44 n TRP 222 Cb 0.44 -1.12 0.86 0.00 -0.00 0.00 0.00 31.31 31.49 1p44 n TRP 222 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1p44 h ASP 223 N -0.65 0.00 0.18 5.87 1.82 -1.69 0.81 116.42 122.75 1p44 h ASP 223 Ca -0.38 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 55.95 1p44 h ASP 223 Cb 1.55 0.00 0.03 0.00 0.68 0.00 0.00 39.33 41.59 1p44 h ASP 223 CO -0.12 0.00 -1.30 -0.61 -1.61 0.00 0.00 179.24 175.60 1p44 h GLN 224 N 0.00 0.57 -0.09 0.28 4.15 -1.66 -3.33 115.11 115.03 1p44 h GLN 224 Ca 0.00 -0.85 -0.15 0.00 0.77 0.00 0.00 58.65 58.42 1p44 h GLN 224 Cb 0.30 0.30 0.01 0.00 0.21 0.00 0.00 27.48 28.30 1p44 h GLN 224 CO 0.00 1.39 -0.54 0.00 -1.93 0.00 0.00 178.83 177.75 1p44 h ARG 225 N 0.17 0.53 -6.31 1.69 3.08 -1.20 -3.44 114.38 108.90 1p44 h ARG 225 Ca -0.21 -0.45 -0.54 0.00 0.07 0.00 0.00 59.98 58.85 1p44 h ARG 225 Cb 1.99 0.10 0.01 0.00 0.08 0.00 0.00 29.97 32.15 1p44 h ARG 225 CO 0.25 1.08 1.21 0.00 -1.07 0.00 0.00 179.97 181.44 1p44 s ALA 226 N -3.62 3.52 0.44 0.04 0.00 0.19 -4.69 121.76 117.63 1p44 s ALA 226 Ca -0.13 1.16 0.11 0.00 0.00 0.00 0.00 51.96 53.10 1p44 s ALA 226 Cb 0.06 -3.84 0.98 0.00 0.00 0.00 0.00 23.12 20.31 1p44 s ALA 226 CO 0.83 -1.63 2.05 -1.35 0.00 0.00 0.00 175.76 175.66 1p44 h PRO 227 N 10.67 0.41 -0.39 0.00 0.11 -1.82 -0.93 132.00 140.04 1p44 h PRO 227 Ca -0.46 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1p44 h PRO 227 Cb 1.22 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1p44 h PRO 227 CO 0.95 0.27 0.04 0.44 -0.21 0.00 0.00 178.00 179.49 1p44 n ILE 228 N -4.48 2.50 -1.13 4.15 -5.35 -1.26 -5.08 119.36 108.71 1p44 n ILE 228 Ca 0.04 -2.00 0.15 0.00 -0.27 0.00 0.00 62.75 60.67 1p44 n ILE 228 Cb 0.16 -0.29 -0.04 0.00 -1.74 0.00 0.00 39.64 37.72 1p44 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p44 n GLY 229 N -0.53 -1.97 3.09 3.28 0.00 -0.35 -4.95 105.19 103.76 1p44 n GLY 229 Ca 0.28 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1p44 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p44 s TRP 230 N -2.25 -0.70 -0.61 1.61 -0.11 -1.26 -4.63 118.94 110.99 1p44 s TRP 230 Ca 0.00 1.16 -0.20 0.00 1.22 0.00 0.00 56.10 58.28 1p44 s TRP 230 Cb 0.00 0.12 0.09 0.00 -1.50 0.00 0.00 33.47 32.18 1p44 s TRP 230 CO 0.00 -0.52 0.79 1.21 -4.62 0.00 0.00 176.95 173.81 1p44 s ASN 231 N 2.54 6.18 0.10 5.86 3.84 -1.26 -4.66 114.94 127.54 1p44 s ASN 231 Ca 0.03 -1.26 0.05 0.00 0.21 0.00 0.00 52.86 51.89 1p44 s ASN 231 Cb -0.13 -2.34 0.29 0.00 -0.55 0.00 0.00 41.25 38.52 1p44 s ASN 231 CO -0.13 -1.22 1.08 1.15 -2.79 0.00 0.00 177.10 175.20 1p44 n MET 232 N 6.79 0.03 -1.59 0.43 0.00 -1.26 -2.43 117.12 119.10 1p44 n MET 232 Ca -0.07 0.46 -0.11 0.00 0.00 0.00 0.00 57.70 57.97 1p44 n MET 232 Cb 0.43 -1.73 0.08 0.00 0.00 0.00 0.00 33.22 32.01 1p44 n MET 232 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1p44 n LYS 233 N -1.63 2.68 -3.52 3.17 2.85 -1.26 0.28 118.16 120.73 1p44 n LYS 233 Ca -0.00 -3.76 -0.28 0.00 -1.05 0.00 0.00 58.31 53.22 1p44 n LYS 233 Cb 0.12 -1.93 -0.14 0.00 -0.65 0.00 0.00 35.03 32.43 1p44 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p44 s ASP 234 N -3.43 3.29 0.00 -5.58 3.68 -1.02 -4.97 116.67 108.64 1p44 s ASP 234 Ca 0.44 -1.27 0.31 0.00 2.13 0.00 0.00 52.55 54.16 1p44 s ASP 234 Cb 0.39 -0.25 1.77 0.00 -1.45 0.00 0.00 42.92 43.38 1p44 s ASP 234 CO -0.01 -0.43 2.14 0.00 0.13 0.00 0.00 175.17 177.00 1p44 n ALA 235 N 5.20 2.61 -0.05 3.66 0.00 -1.26 -4.09 120.51 126.57 1p44 n ALA 235 Ca -0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1p44 n ALA 235 Cb 0.42 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1p44 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1p44 h THR 236 N 0.00 0.96 -0.60 0.00 2.02 -1.94 0.98 112.91 114.33 1p44 h THR 236 Ca 0.00 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1p44 h THR 236 Cb 0.06 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1p44 h THR 236 CO 0.00 0.03 0.40 -0.65 0.37 0.00 0.00 175.52 175.67 1p44 h PRO 237 N 0.19 0.46 0.24 6.66 0.11 -1.99 0.54 132.00 138.21 1p44 h PRO 237 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1p44 h PRO 237 Cb 0.05 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1p44 h PRO 237 CO -0.09 0.30 -0.12 0.28 -0.21 0.00 0.00 178.00 178.17 1p44 h VAL 238 N 0.47 0.58 -0.95 3.15 2.07 -1.68 -2.80 116.25 117.09 1p44 h VAL 238 Ca 0.27 -0.93 0.23 0.00 0.82 0.00 0.00 66.70 67.08 1p44 h VAL 238 Cb 0.45 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1p44 h VAL 238 CO -0.08 0.15 0.63 0.00 0.02 0.00 0.00 177.57 178.29 1p44 h ALA 239 N -0.55 2.25 0.00 1.67 0.00 -0.47 0.41 119.26 122.58 1p44 h ALA 239 Ca -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1p44 h ALA 239 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1p44 h ALA 239 CO 0.05 -0.57 -0.29 0.87 0.00 0.00 0.00 179.25 179.31 1p44 h LYS 240 N 0.39 0.00 0.15 0.00 1.57 -0.93 -2.10 116.57 115.65 1p44 h LYS 240 Ca 0.51 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.00 1p44 h LYS 240 Cb 1.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.64 1p44 h LYS 240 CO -0.20 0.29 -1.28 1.15 -0.57 0.00 0.00 179.45 178.84 1p44 h THR 241 N 0.00 1.39 0.79 -0.16 2.02 0.04 -2.73 112.91 114.26 1p44 h THR 241 Ca -0.00 -2.80 -0.04 0.00 0.77 0.00 0.00 66.41 64.34 1p44 h THR 241 Cb 1.02 2.88 0.01 0.00 -1.74 0.00 0.00 68.15 70.32 1p44 h THR 241 CO 0.04 0.83 -0.38 0.58 0.37 0.00 0.00 175.52 176.96 1p44 h VAL 242 N 0.14 0.11 -0.98 3.16 2.07 -1.07 -2.31 116.25 117.37 1p44 h VAL 242 Ca -0.17 -0.17 0.28 0.00 0.82 0.00 0.00 66.70 67.46 1p44 h VAL 242 Cb 1.98 0.13 -0.14 0.00 -1.52 0.00 0.00 31.29 31.74 1p44 h VAL 242 CO 0.23 0.01 0.52 0.00 0.02 0.00 0.00 177.57 178.34 1p44 h ALA 244 N 1.79 1.23 0.00 0.00 0.00 -1.14 0.10 119.26 121.25 1p44 h ALA 244 Ca 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1p44 h ALA 244 Cb 1.42 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1p44 h ALA 244 CO -0.57 0.50 0.00 -0.11 0.00 0.00 0.00 179.25 179.07 1p44 n LEU 245 N -4.48 0.44 0.09 0.00 7.94 0.20 -1.90 117.00 119.28 1p44 n LEU 245 Ca 0.12 0.58 0.11 0.00 -1.11 0.00 0.00 56.01 55.72 1p44 n LEU 245 Cb 0.08 -0.49 0.01 0.00 0.53 0.00 0.00 43.42 43.55 1p44 n LEU 245 CO 0.35 -0.32 0.01 0.18 -1.11 0.00 0.00 177.39 176.49 1p44 n LEU 246 N -1.95 0.76 0.00 -1.96 4.77 -0.06 -4.84 117.00 113.72 1p44 n LEU 246 Ca 0.04 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 56.06 1p44 n LEU 246 Cb 0.27 -0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.45 1p44 n LEU 246 CO 0.21 -0.14 0.68 -1.54 -1.33 0.00 0.00 177.39 175.27 1p44 n SER 247 N -2.53 0.16 -0.70 -1.43 3.41 -0.71 -4.78 113.62 107.04 1p44 n SER 247 Ca 0.00 -1.42 0.08 0.00 -0.26 0.00 0.00 58.87 57.27 1p44 n SER 247 Cb 0.53 -0.78 0.26 0.00 -0.26 0.00 0.00 64.21 63.95 1p44 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1p44 n ASP 248 N -3.62 2.05 -0.42 4.04 8.00 -1.26 -4.30 116.55 121.04 1p44 n ASP 248 Ca 0.13 -1.89 0.04 0.00 0.71 0.00 0.00 54.79 53.78 1p44 n ASP 248 Cb 0.46 -0.20 0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1p44 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1p44 n TRP 249 N 0.59 0.31 -2.74 1.24 7.02 -1.26 -3.64 117.44 118.96 1p44 n TRP 249 Ca 0.15 -0.15 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1p44 n TRP 249 Cb 0.35 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.31 1p44 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1p44 n LEU 250 N 0.16 0.40 0.00 -0.99 4.77 -1.26 -4.96 117.00 115.12 1p44 n LEU 250 Ca 0.08 -3.30 0.03 0.00 -0.03 0.00 0.00 56.01 52.78 1p44 n LEU 250 Cb 0.19 0.32 0.17 0.00 -2.33 0.00 0.00 43.42 41.77 1p44 n LEU 250 CO 0.05 1.44 0.46 -0.81 -1.33 0.00 0.00 177.39 177.19 1p44 n PRO 251 N -0.67 0.15 -0.54 3.23 -0.04 -1.24 -3.13 135.00 132.77 1p44 n PRO 251 Ca 0.01 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1p44 n PRO 251 Cb 0.83 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.96 1p44 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p44 n ALA 252 N -1.12 3.15 -3.69 0.55 0.00 -1.26 -5.01 120.51 113.14 1p44 n ALA 252 Ca 0.04 -2.98 -0.20 0.00 0.00 0.00 0.00 53.44 50.30 1p44 n ALA 252 Cb 0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 19.45 18.92 1p44 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1p44 s THR 253 N -2.77 0.36 0.21 0.00 -1.32 -1.18 -5.14 115.64 105.79 1p44 s THR 253 Ca 0.35 0.03 0.05 0.00 -1.21 0.00 0.00 61.69 60.91 1p44 s THR 253 Cb 0.34 -0.45 -0.02 0.00 -1.51 0.00 0.00 72.50 70.86 1p44 s THR 253 CO -0.05 0.21 0.18 0.35 -2.21 0.00 0.00 174.62 173.10 1p44 n THR 254 N 4.41 0.00 -2.44 5.08 -2.24 -1.26 -4.68 114.28 113.16 1p44 n THR 254 Ca -0.20 -1.53 -0.07 0.00 -2.27 0.00 0.00 64.05 59.98 1p44 n THR 254 Cb 0.50 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1p44 n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p44 n GLY 255 N -0.40 -0.37 3.49 3.38 0.00 0.14 -4.82 105.19 106.60 1p44 n GLY 255 Ca 0.05 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1p44 n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p44 s ASP 256 N -1.81 2.78 -0.12 1.61 -1.08 -1.24 -4.64 116.67 112.17 1p44 s ASP 256 Ca 0.14 -1.37 0.03 0.00 -0.52 0.00 0.00 52.55 50.83 1p44 s ASP 256 Cb -0.08 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 1p44 s ASP 256 CO 0.17 -0.55 -0.21 -0.63 0.52 0.00 0.00 175.17 174.46 1p44 s ILE 257 N -3.13 2.26 -0.19 4.11 1.01 -1.26 -1.34 121.20 122.66 1p44 s ILE 257 Ca 0.36 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 1p44 s ILE 257 Cb 0.09 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1p44 s ILE 257 CO 0.16 0.55 -0.06 -0.63 0.00 0.00 0.00 174.94 174.95 1p44 s ILE 258 N 0.55 3.36 -0.41 2.92 1.09 -0.42 -4.95 121.20 123.33 1p44 s ILE 258 Ca -0.13 -0.52 -0.20 0.00 -1.10 0.00 0.00 60.65 58.71 1p44 s ILE 258 Cb -0.17 -2.49 0.02 0.00 -1.06 0.00 0.00 42.46 38.75 1p44 s ILE 258 CO 0.04 0.46 0.61 -0.31 -0.10 0.00 0.00 174.94 175.64 1p44 s TYR 259 N 1.09 3.10 -0.92 3.97 1.51 -1.26 -0.82 117.35 124.02 1p44 s TYR 259 Ca 0.01 0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1p44 s TYR 259 Cb -0.15 -3.22 0.29 0.00 -0.11 0.00 0.00 41.96 38.78 1p44 s TYR 259 CO -0.01 -0.76 1.27 0.00 -1.11 0.00 0.00 175.55 174.94 1p44 n ALA 260 N 6.11 4.91 -1.87 3.71 0.00 -0.76 -4.69 120.51 127.91 1p44 n ALA 260 Ca -0.02 -4.78 0.05 0.00 0.00 0.00 0.00 53.44 48.69 1p44 n ALA 260 Cb 0.48 -1.83 0.12 0.00 0.00 0.00 0.00 19.45 18.23 1p44 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p44 n ASP 261 N 0.99 1.42 -1.70 0.00 3.85 -1.26 -2.58 116.55 117.26 1p44 n ASP 261 Ca 0.29 -3.05 -0.21 0.00 -0.71 0.00 0.00 54.79 51.11 1p44 n ASP 261 Cb 0.35 -0.42 -0.08 0.00 -1.35 0.00 0.00 41.12 39.62 1p44 n ASP 261 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p44 n GLY 262 N -0.53 1.65 2.26 6.12 0.00 -1.26 -1.33 105.19 112.09 1p44 n GLY 262 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1p44 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 263 N -0.47 0.50 0.00 -0.02 0.00 -1.26 -3.13 105.19 100.82 1p44 n GLY 263 Ca -0.21 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1p44 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 264 N 1.03 1.69 0.47 4.61 0.00 -0.44 -2.42 120.51 125.46 1p44 n ALA 264 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1p44 n ALA 264 Cb 0.16 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1p44 n ALA 264 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1p44 n HIS 265 N -1.47 0.41 1.45 0.00 1.44 -1.26 -4.13 115.22 111.66 1p44 n HIS 265 Ca 0.04 0.12 0.13 0.00 -2.01 0.00 0.00 57.72 56.01 1p44 n HIS 265 Cb 0.16 -0.56 0.50 0.00 0.12 0.00 0.00 29.99 30.21 1p44 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1p44 n THR 266 N -2.11 0.04 -5.27 0.61 -2.24 -1.02 -4.87 114.28 99.41 1p44 n THR 266 Ca 0.02 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1p44 n THR 266 Cb 0.46 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 69.01 1p44 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1p44 s GLN 267 N -1.96 2.22 0.14 -0.78 -1.52 -1.25 -5.02 119.66 111.48 1p44 s GLN 267 Ca 0.37 -0.90 0.17 0.00 -1.95 0.00 0.00 55.36 53.05 1p44 s GLN 267 Cb 0.20 -2.04 -0.06 0.00 -0.22 0.00 0.00 33.01 30.89 1p44 s GLN 267 CO 0.32 0.49 1.02 1.25 -0.25 0.00 0.00 175.29 178.13 1p44 h LEU 268 N 5.69 0.00 0.00 2.90 5.85 -1.91 -3.50 115.31 124.35 1p44 h LEU 268 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1p44 h LEU 268 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1p44 h LEU 268 CO 0.47 0.48 0.00 -0.11 -0.34 0.00 0.00 178.44 178.94