#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 -3.63 0.18 3.38 0.00 -1.26 -4.68 105.19 99.18 1p44 n GLY 3 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 3.62 0.00 -2.99 0.99 6.46 -1.91 -3.33 115.31 118.15 1p44 h LEU 4 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1p44 h LEU 4 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1p44 h LEU 4 CO 0.00 0.34 0.00 0.18 -0.62 0.00 0.00 178.44 178.34 1p44 n LEU 5 N -3.26 2.74 -2.06 2.25 4.32 -1.02 -4.72 117.00 115.25 1p44 n LEU 5 Ca 0.02 -2.27 -0.27 0.00 -0.02 0.00 0.00 56.01 53.47 1p44 n LEU 5 Cb 0.61 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 42.14 1p44 n LEU 5 CO 0.37 0.65 0.28 0.47 -1.22 0.00 0.00 177.39 177.94 1p44 n ASP 6 N -0.14 0.03 -3.74 -1.43 9.92 -1.07 -2.24 116.55 117.89 1p44 n ASP 6 Ca 0.10 0.53 -0.29 0.00 -0.53 0.00 0.00 54.79 54.60 1p44 n ASP 6 Cb 0.47 -0.42 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1p44 n ASP 6 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p44 n GLY 7 N 0.76 -0.47 3.45 0.44 0.00 -1.24 -4.92 105.19 103.21 1p44 n GLY 7 Ca 0.09 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.42 3.41 -0.32 1.61 1.02 -0.95 -4.93 119.74 113.17 1p44 s LYS 8 Ca 0.56 -0.60 -0.23 0.00 0.02 0.00 0.00 55.97 55.71 1p44 s LYS 8 Cb -0.30 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1p44 s LYS 8 CO 0.69 0.28 0.79 1.03 -0.92 0.00 0.00 175.35 177.22 1p44 s ARG 9 N 0.20 3.91 -0.19 1.68 1.81 -1.26 0.16 118.95 125.26 1p44 s ARG 9 Ca -0.05 0.52 0.01 0.00 -1.72 0.00 0.00 55.73 54.48 1p44 s ARG 9 Cb -0.15 -3.75 0.04 0.00 -0.45 0.00 0.00 34.95 30.65 1p44 s ARG 9 CO 0.04 -0.72 -0.10 0.42 -0.68 0.00 0.00 175.30 174.26 1p44 s ILE 10 N 3.00 1.57 -0.01 1.52 1.01 -0.48 0.88 121.20 128.68 1p44 s ILE 10 Ca 0.32 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1p44 s ILE 10 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1p44 s ILE 10 CO 0.14 0.19 1.11 -0.22 0.00 0.00 0.00 174.94 176.16 1p44 s LEU 11 N 1.43 4.33 0.07 2.97 0.20 0.18 -2.08 118.68 125.78 1p44 s LEU 11 Ca -0.00 1.79 0.07 0.00 0.69 0.00 0.00 54.13 56.68 1p44 s LEU 11 Cb -0.16 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 1p44 s LEU 11 CO -0.08 -0.44 -0.20 -0.69 -0.29 0.00 0.00 176.35 174.65 1p44 s VAL 12 N 1.48 1.63 0.09 1.68 1.01 0.13 -1.55 120.40 124.86 1p44 s VAL 12 Ca 0.55 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1p44 s VAL 12 Cb -0.24 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 1p44 s VAL 12 CO 0.25 0.06 0.03 -1.54 0.00 0.00 0.00 175.10 173.91 1p44 n SER 13 N 1.51 0.99 0.00 3.32 3.41 -1.20 -2.02 113.62 119.63 1p44 n SER 13 Ca -0.18 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1p44 n SER 13 Cb 0.54 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1p44 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p44 n GLY 14 N 1.67 2.65 3.61 5.00 0.00 -1.24 -4.52 105.19 112.35 1p44 n GLY 14 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1p44 n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p44 n ILE 15 N -0.21 2.02 0.00 -0.61 5.41 -1.26 -4.75 119.36 119.96 1p44 n ILE 15 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1p44 n ILE 15 Cb 0.00 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1p44 n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p44 n ILE 16 N 0.17 0.00 -4.17 1.39 0.13 -1.26 -4.81 119.36 110.80 1p44 n ILE 16 Ca 0.09 0.00 -0.15 0.00 -1.10 0.00 0.00 62.75 61.58 1p44 n ILE 16 Cb 0.33 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 39.06 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 -0.48 0.00 -0.47 9.51 -4.23 -1.26 -4.83 115.64 113.88 1p44 s THR 17 Ca 0.00 -1.81 0.09 0.00 -1.18 0.00 0.00 61.69 58.79 1p44 s THR 17 Cb 0.00 -2.52 0.55 0.00 1.34 0.00 0.00 72.50 71.87 1p44 s THR 17 CO 0.00 0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.56 1p44 n ASP 18 N -1.12 4.16 0.00 3.99 5.68 -1.26 -3.47 116.55 124.53 1p44 n ASP 18 Ca 0.03 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.65 1p44 n ASP 18 Cb 0.63 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1p44 n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1p44 n SER 19 N 0.33 0.03 -4.78 -1.12 3.41 -1.26 -4.98 113.62 105.25 1p44 n SER 19 Ca 0.21 -0.24 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 1p44 n SER 19 Cb 0.94 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 65.15 1p44 n SER 19 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1p44 s SER 20 N -0.27 6.08 0.48 4.04 1.04 -1.23 -4.63 113.70 119.22 1p44 s SER 20 Ca 0.00 2.18 0.26 0.00 0.48 0.00 0.00 55.95 58.87 1p44 s SER 20 Cb 0.00 -2.59 1.20 0.00 0.10 0.00 0.00 66.02 64.73 1p44 s SER 20 CO 0.00 -0.97 1.95 0.40 0.98 0.00 0.00 173.24 175.60 1p44 h ILE 21 N 1.61 0.53 0.00 -1.02 2.04 -1.92 -2.07 117.51 116.68 1p44 h ILE 21 Ca -0.50 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1p44 h ILE 21 Cb 1.25 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1p44 h ILE 21 CO 0.59 0.17 -0.02 0.00 0.00 0.00 0.00 178.15 178.89 1p44 h ALA 22 N 1.83 1.01 0.10 1.87 0.00 -1.85 0.45 119.26 122.67 1p44 h ALA 22 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 1p44 h ALA 22 Cb 0.55 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1p44 h ALA 22 CO 0.02 0.02 -2.06 0.34 0.00 0.00 0.00 179.25 177.57 1p44 n PHE 23 N -3.12 1.06 -0.19 0.00 -0.00 -0.82 -3.90 117.46 110.49 1p44 n PHE 23 Ca 0.00 0.23 -0.10 0.00 -0.00 0.00 0.00 57.45 57.58 1p44 n PHE 23 Cb 0.30 -1.14 0.01 0.00 -0.00 0.00 0.00 39.48 38.66 1p44 n PHE 23 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1p44 h HIS 24 N 0.03 1.10 0.00 -5.13 3.86 -1.20 0.23 115.15 114.04 1p44 h HIS 24 Ca -0.45 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 58.55 1p44 h HIS 24 Cb 2.00 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 30.19 1p44 h HIS 24 CO 0.07 1.01 0.00 -0.89 0.86 0.00 0.00 177.93 178.98 1p44 n ILE 25 N -4.21 0.00 -0.33 2.45 5.41 0.16 -2.36 119.36 120.47 1p44 n ILE 25 Ca 0.02 1.49 0.17 0.00 1.00 0.00 0.00 62.75 65.42 1p44 n ILE 25 Cb 0.36 -2.29 0.40 0.00 -0.71 0.00 0.00 39.64 37.40 1p44 n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p44 h ALA 26 N -1.62 1.88 -0.01 -1.39 0.00 -1.67 0.57 119.26 117.02 1p44 h ALA 26 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p44 h ALA 26 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p44 h ALA 26 CO 0.00 -0.27 0.03 -0.09 0.00 0.00 0.00 179.25 178.92 1p44 h ARG 27 N 0.61 0.00 0.00 0.00 2.43 -0.70 0.15 114.38 116.87 1p44 h ARG 27 Ca 0.58 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.73 1p44 h ARG 27 Cb 1.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1p44 h ARG 27 CO -0.36 0.00 -0.61 0.28 -1.51 0.00 0.00 179.97 177.77 1p44 n VAL 28 N -3.39 1.43 -0.35 0.20 0.31 0.19 -3.58 118.33 113.14 1p44 n VAL 28 Ca -0.03 0.19 0.29 0.00 -0.01 0.00 0.00 64.34 64.79 1p44 n VAL 28 Cb 0.11 -2.36 0.60 0.00 -0.91 0.00 0.00 33.84 31.28 1p44 n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p44 h ALA 29 N -0.96 2.59 -0.15 3.52 0.00 -1.09 0.17 119.26 123.34 1p44 h ALA 29 Ca -0.03 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1p44 h ALA 29 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1p44 h ALA 29 CO -0.02 -1.02 -0.58 0.37 0.00 0.00 0.00 179.25 178.00 1p44 h GLN 30 N 0.23 0.49 0.00 0.00 4.15 -1.14 -2.06 115.11 116.78 1p44 h GLN 30 Ca 0.64 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1p44 h GLN 30 Cb 1.95 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.68 1p44 h GLN 30 CO -0.24 0.93 0.00 0.93 -1.93 0.00 0.00 178.83 178.52 1p44 h GLU 31 N 0.37 0.00 -0.09 1.69 5.08 -0.72 -2.43 114.58 118.48 1p44 h GLU 31 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p44 h GLU 31 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1p44 h GLU 31 CO 0.11 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 1p44 n GLN 32 N -2.33 2.14 0.00 2.33 1.13 -0.95 -4.89 117.38 114.82 1p44 n GLN 32 Ca 0.03 -1.67 0.00 0.00 -1.94 0.00 0.00 57.00 53.41 1p44 n GLN 32 Cb 0.27 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 1.31 0.74 3.49 1.08 0.00 -0.91 -2.44 105.19 108.47 1p44 n GLY 33 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1p44 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 34 N -1.35 -1.02 -3.60 4.61 0.00 -0.81 -3.63 120.51 114.72 1p44 n ALA 34 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 1p44 n ALA 34 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1p44 n ALA 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1p44 s GLN 35 N -2.44 2.93 0.57 0.00 -0.44 0.42 -4.71 119.66 115.98 1p44 s GLN 35 Ca 0.69 -2.56 -0.16 0.00 -2.50 0.00 0.00 55.36 50.83 1p44 s GLN 35 Cb -0.41 -3.96 -0.05 0.00 -1.64 0.00 0.00 33.01 26.96 1p44 s GLN 35 CO 0.54 -1.21 1.05 -0.51 0.50 0.00 0.00 175.29 175.65 1p44 s LEU 36 N -0.08 3.56 -0.08 3.68 1.43 -1.26 -1.38 118.68 124.55 1p44 s LEU 36 Ca 0.18 1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1p44 s LEU 36 Cb -0.17 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.55 1p44 s LEU 36 CO -0.05 -1.06 -0.00 -0.69 0.23 0.00 0.00 176.35 174.77 1p44 s VAL 37 N -2.39 0.42 0.19 -1.59 1.01 -0.89 -4.45 120.40 112.71 1p44 s VAL 37 Ca 0.64 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1p44 s VAL 37 Cb -0.16 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1p44 s VAL 37 CO 0.34 0.25 0.33 -0.76 0.00 0.00 0.00 175.10 175.26 1p44 s LEU 38 N 1.95 4.31 -0.00 3.92 1.43 0.29 0.18 118.68 130.76 1p44 s LEU 38 Ca 0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1p44 s LEU 38 Cb -0.12 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 1p44 s LEU 38 CO -0.06 -0.01 -0.04 0.42 0.23 0.00 0.00 176.35 176.90 1p44 s THR 39 N -1.85 0.28 0.36 5.49 -4.23 -0.86 0.30 115.64 115.13 1p44 s THR 39 Ca 0.35 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1p44 s THR 39 Cb -0.10 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.43 1p44 s THR 39 CO 0.29 0.05 0.05 -0.83 -0.54 0.00 0.00 174.62 173.64 1p44 s GLY 40 N -0.16 2.28 0.00 3.99 0.00 -0.10 -4.25 107.32 109.08 1p44 s GLY 40 Ca 0.01 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1p44 s GLY 40 CO -0.00 -1.91 0.00 0.33 0.00 0.00 0.00 173.10 171.52 1p44 n PHE 41 N -0.80 0.00 0.06 1.90 7.35 -1.26 -1.22 117.46 123.48 1p44 n PHE 41 Ca -0.04 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.70 1p44 n PHE 41 Cb 0.67 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.59 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 0.00 2.40 -3.54 -2.13 5.68 -1.26 -4.47 116.55 113.23 1p44 n ASP 42 Ca 0.00 -1.77 -0.28 0.00 -0.50 0.00 0.00 54.79 52.24 1p44 n ASP 42 Cb 0.00 -0.12 -0.11 0.00 -1.14 0.00 0.00 41.12 39.75 1p44 n ASP 42 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1p44 s ARG 43 N -0.91 1.11 0.41 0.11 0.52 -1.26 -4.95 118.95 113.98 1p44 s ARG 43 Ca 0.16 -2.08 0.22 0.00 -0.52 0.00 0.00 55.73 53.51 1p44 s ARG 43 Cb 0.09 -1.83 0.30 0.00 0.52 0.00 0.00 34.95 34.03 1p44 s ARG 43 CO 0.13 -1.29 1.57 -0.07 0.02 0.00 0.00 175.30 175.65 1p44 h LEU 44 N 6.12 0.00 -4.91 2.53 -0.00 -1.95 -2.84 115.31 114.26 1p44 h LEU 44 Ca 0.15 0.00 -0.73 0.00 -0.00 0.00 0.00 57.88 57.30 1p44 h LEU 44 Cb 0.91 0.00 -0.26 0.00 -0.00 0.00 0.00 40.66 41.31 1p44 h LEU 44 CO 0.41 0.06 0.98 0.54 -0.00 0.00 0.00 178.44 180.43 1p44 n ARG 45 N -3.10 2.70 0.00 1.13 1.74 -1.26 -2.93 116.66 114.94 1p44 n ARG 45 Ca 0.04 -3.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.75 1p44 n ARG 45 Cb 0.56 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1p44 n ARG 45 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1p44 n LEU 46 N -0.38 0.00 0.14 0.55 0.00 -1.24 -4.87 117.00 111.20 1p44 n LEU 46 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.55 1p44 n LEU 46 Cb 0.28 0.37 0.17 0.00 0.00 0.00 0.00 43.42 44.24 1p44 n LEU 46 CO 0.50 -0.37 0.50 0.16 0.00 0.00 0.00 177.39 178.18 1p44 h ILE 47 N 0.00 1.27 -0.49 1.96 3.07 -1.65 -2.74 117.51 118.93 1p44 h ILE 47 Ca 0.00 -2.13 -0.09 0.00 1.55 0.00 0.00 64.86 64.18 1p44 h ILE 47 Cb 0.00 2.20 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 1p44 h ILE 47 CO 0.00 0.58 -0.07 -0.61 -1.05 0.00 0.00 178.15 177.00 1p44 h GLN 48 N 0.00 0.88 0.00 0.16 4.15 -1.78 0.12 115.11 118.63 1p44 h GLN 48 Ca -0.01 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1p44 h GLN 48 Cb 1.15 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1p44 h GLN 48 CO 0.08 0.92 0.00 -2.13 -1.93 0.00 0.00 178.83 175.77 1p44 n ARG 49 N -4.17 0.02 -0.04 1.69 0.63 -1.05 -0.53 116.66 113.21 1p44 n ARG 49 Ca 0.02 0.30 -0.22 0.00 -0.92 0.00 0.00 57.85 57.03 1p44 n ARG 49 Cb 0.36 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.60 1p44 n ARG 49 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1p44 n ILE 50 N -1.58 1.68 1.32 5.15 2.08 0.18 -4.14 119.36 124.05 1p44 n ILE 50 Ca 0.03 -0.47 0.14 0.00 0.56 0.00 0.00 62.75 63.01 1p44 n ILE 50 Cb 0.16 -1.80 0.67 0.00 -0.75 0.00 0.00 39.64 37.92 1p44 n ILE 50 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1p44 n THR 51 N -3.75 0.00 1.23 1.39 -2.24 0.08 -2.48 114.28 108.51 1p44 n THR 51 Ca -0.34 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.44 1p44 n THR 51 Cb 0.94 -0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.26 1.17 -2.95 3.42 8.00 0.31 -3.39 116.55 121.86 1p44 n ASP 52 Ca 0.12 -2.06 -0.21 0.00 0.71 0.00 0.00 54.79 53.35 1p44 n ASP 52 Cb 0.27 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.00 2.12 -4.23 -1.24 1.74 -1.03 -5.06 116.66 108.95 1p44 n ARG 53 Ca 0.05 -4.04 -0.15 0.00 -0.77 0.00 0.00 57.85 52.94 1p44 n ARG 53 Cb 0.23 -1.91 -0.10 0.00 -1.02 0.00 0.00 32.46 29.66 1p44 n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1p44 s LEU 54 N -3.03 2.48 0.00 0.55 1.43 -1.22 -5.01 118.68 113.88 1p44 s LEU 54 Ca 0.43 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1p44 s LEU 54 Cb 0.34 -0.36 0.16 0.00 0.03 0.00 0.00 46.19 46.37 1p44 s LEU 54 CO -0.10 -0.29 0.51 -0.81 0.23 0.00 0.00 176.35 175.89 1p44 n PRO 55 N 0.09 0.14 -3.61 1.29 -0.04 -1.26 -4.64 135.00 126.97 1p44 n PRO 55 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1p44 n PRO 55 Cb 0.59 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 1p44 n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p44 s ALA 56 N -2.00 -2.08 0.13 0.55 0.00 -1.26 -5.01 121.76 112.09 1p44 s ALA 56 Ca 0.04 1.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.59 1p44 s ALA 56 Cb 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 1p44 s ALA 56 CO 0.03 -0.51 0.43 -1.59 0.00 0.00 0.00 175.76 174.13 1p44 s LYS 57 N -2.05 3.75 -0.08 0.00 -2.85 -1.26 -4.96 119.74 112.29 1p44 s LYS 57 Ca 0.09 0.15 -0.08 0.00 -1.00 0.00 0.00 55.97 55.13 1p44 s LYS 57 Cb -0.01 -2.89 0.02 0.00 -2.06 0.00 0.00 37.83 32.89 1p44 s LYS 57 CO -0.05 0.49 0.23 0.00 0.10 0.00 0.00 175.35 176.12 1p44 s ALA 58 N -1.54 -0.57 0.90 0.59 0.00 -1.26 -4.94 121.76 114.93 1p44 s ALA 58 Ca 0.38 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 1p44 s ALA 58 Cb -0.13 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.73 1p44 s ALA 58 CO 0.20 -0.12 0.95 -0.35 0.00 0.00 0.00 175.76 176.45 1p44 n PRO 59 N 2.88 -0.26 -4.21 0.00 -0.04 -1.26 -4.64 135.00 127.46 1p44 n PRO 59 Ca -0.13 -0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.06 1p44 n PRO 59 Cb 0.58 -2.24 -0.07 0.00 -0.04 0.00 0.00 33.50 31.73 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 -4.80 3.36 -0.14 1.53 1.98 -1.25 -0.55 118.68 118.81 1p44 s LEU 60 Ca 0.66 -0.42 -0.05 0.00 -2.89 0.00 0.00 54.13 51.43 1p44 s LEU 60 Cb -0.24 -1.97 0.07 0.00 0.66 0.00 0.00 46.19 44.71 1p44 s LEU 60 CO 0.59 0.06 0.27 -0.76 -1.89 0.00 0.00 176.35 174.62 1p44 s LEU 61 N -3.19 -0.31 0.09 -0.68 1.43 0.15 -4.88 118.68 111.29 1p44 s LEU 61 Ca 0.29 0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 53.66 1p44 s LEU 61 Cb -0.09 0.72 -0.10 0.00 0.03 0.00 0.00 46.19 46.76 1p44 s LEU 61 CO 0.20 -0.24 1.82 -0.70 0.23 0.00 0.00 176.35 177.65 1p44 s GLU 62 N 2.43 4.15 -0.36 1.70 2.12 -1.26 -0.92 118.70 126.55 1p44 s GLU 62 Ca 0.02 2.55 0.04 0.00 0.36 0.00 0.00 54.97 57.93 1p44 s GLU 62 Cb -0.12 -3.70 0.16 0.00 0.26 0.00 0.00 34.13 30.73 1p44 s GLU 62 CO -0.09 -0.85 0.43 -1.17 -0.54 0.00 0.00 175.26 173.05 1p44 s LEU 63 N 3.06 -0.52 -0.59 2.70 2.96 -0.36 -4.89 118.68 121.04 1p44 s LEU 63 Ca 0.81 -1.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.36 1p44 s LEU 63 Cb -0.44 0.97 0.06 0.00 0.50 0.00 0.00 46.19 47.28 1p44 s LEU 63 CO 0.36 -0.26 0.87 -0.62 -1.32 0.00 0.00 176.35 175.38 1p44 s ASP 64 N 1.78 6.23 0.21 3.68 3.68 -1.26 -4.60 116.67 126.38 1p44 s ASP 64 Ca 0.15 -0.85 0.12 0.00 2.13 0.00 0.00 52.55 54.09 1p44 s ASP 64 Cb -0.12 -2.39 0.63 0.00 -1.45 0.00 0.00 42.92 39.59 1p44 s ASP 64 CO -0.11 -1.25 1.30 1.33 0.13 0.00 0.00 175.17 176.57 1p44 n VAL 65 N 5.90 1.15 0.01 1.11 0.24 -1.26 0.09 118.33 125.58 1p44 n VAL 65 Ca -0.03 0.65 -0.00 0.00 -2.04 0.00 0.00 64.34 62.92 1p44 n VAL 65 Cb 0.46 -1.65 -0.10 0.00 -1.47 0.00 0.00 33.84 31.07 1p44 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p44 n GLN 66 N -1.90 0.63 -2.50 7.34 6.02 -1.26 -4.78 117.38 120.93 1p44 n GLN 66 Ca -0.01 0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 1p44 n GLN 66 Cb 0.13 -1.74 -0.02 0.00 1.02 0.00 0.00 30.24 29.62 1p44 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1p44 s ASN 67 N -5.62 6.46 0.22 1.08 3.04 0.11 -4.91 114.94 115.33 1p44 s ASN 67 Ca -0.04 0.49 -0.08 0.00 0.04 0.00 0.00 52.86 53.27 1p44 s ASN 67 Cb 0.09 -2.55 0.17 0.00 -1.54 0.00 0.00 41.25 37.42 1p44 s ASN 67 CO 0.82 -1.39 1.79 -0.08 -3.04 0.00 0.00 177.10 175.20 1p44 h GLU 68 N 9.90 1.20 -0.11 0.43 4.57 -1.86 -2.13 114.58 126.58 1p44 h GLU 68 Ca -0.25 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 57.76 1p44 h GLU 68 Cb 1.08 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1p44 h GLU 68 CO 1.13 0.95 0.09 1.49 -1.18 0.00 0.00 179.01 181.49 1p44 h GLU 69 N 1.17 0.00 -0.09 1.92 4.81 -1.93 0.07 114.58 120.54 1p44 h GLU 69 Ca 0.27 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1p44 h GLU 69 Cb 0.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1p44 h GLU 69 CO -0.03 0.00 -0.16 0.45 -0.73 0.00 0.00 179.01 178.55 1p44 h HIS 70 N 0.00 0.33 0.00 0.92 3.86 -1.69 -2.55 115.15 116.02 1p44 h HIS 70 Ca 0.05 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1p44 h HIS 70 Cb 0.23 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1p44 h HIS 70 CO 0.00 0.75 -0.10 -0.07 0.86 0.00 0.00 177.93 179.37 1p44 h LEU 71 N -0.19 0.00 0.06 2.43 -0.00 -0.99 -1.27 115.31 115.35 1p44 h LEU 71 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.64 1p44 h LEU 71 Cb 0.73 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.37 1p44 h LEU 71 CO 0.04 0.10 -1.13 0.00 -0.00 0.00 0.00 178.44 177.44 1p44 h ALA 72 N 1.90 0.26 -0.23 1.53 0.00 -0.93 -3.26 119.26 118.52 1p44 h ALA 72 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1p44 h ALA 72 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1p44 h ALA 72 CO 0.01 1.14 0.00 -1.13 0.00 0.00 0.00 179.25 179.28 1p44 n SER 73 N -3.42 3.23 0.39 0.00 3.41 -0.97 -4.53 113.62 111.73 1p44 n SER 73 Ca -0.04 -1.99 -0.19 0.00 -0.26 0.00 0.00 58.87 56.39 1p44 n SER 73 Cb 0.98 -0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 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 4.52 -1.05 0.00 1.04 6.46 -1.27 -2.14 115.31 122.86 1p44 h LEU 74 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1p44 h LEU 74 Cb 0.98 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1p44 h LEU 74 CO 0.00 -0.66 0.00 0.00 -0.62 0.00 0.00 178.44 177.16 1p44 n ALA 75 N -2.64 -0.14 -0.35 1.25 0.00 -1.25 -1.65 120.51 115.71 1p44 n ALA 75 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1p44 n ALA 75 Cb 0.45 0.33 0.13 0.00 0.00 0.00 0.00 19.45 20.35 1p44 n ALA 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1p44 h GLY 76 N 0.00 0.65 0.98 0.00 0.00 -1.85 -1.87 103.07 100.98 1p44 h GLY 76 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1p44 h GLY 76 CO 0.00 -0.36 -0.18 3.21 0.00 0.00 0.00 176.54 179.21 1p44 h ARG 77 N -0.00 -0.48 -0.98 4.80 3.08 -1.02 -2.76 114.38 117.03 1p44 h ARG 77 Ca 0.46 0.03 0.32 0.00 0.07 0.00 0.00 59.98 60.86 1p44 h ARG 77 Cb 0.71 0.11 -0.17 0.00 0.08 0.00 0.00 29.97 30.69 1p44 h ARG 77 CO -1.01 -0.30 0.25 0.28 -1.07 0.00 0.00 179.97 178.12 1p44 h VAL 78 N -0.53 0.07 -0.10 2.04 2.07 -0.46 0.78 116.25 120.12 1p44 h VAL 78 Ca -0.05 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1p44 h VAL 78 Cb 0.40 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1p44 h VAL 78 CO 0.08 0.01 -0.04 0.74 0.02 0.00 0.00 177.57 178.38 1p44 h THR 79 N 0.05 1.10 0.00 2.57 2.02 -1.29 0.13 112.91 117.49 1p44 h THR 79 Ca 0.68 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 67.35 1p44 h THR 79 Cb 1.56 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1p44 h THR 79 CO -0.82 0.13 -0.46 1.05 0.37 0.00 0.00 175.52 175.80 1p44 h GLU 80 N 0.15 0.00 0.17 6.66 -0.00 0.66 0.78 114.58 122.99 1p44 h GLU 80 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.39 1p44 h GLU 80 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1p44 h GLU 80 CO 0.01 0.46 -0.08 0.00 -0.00 0.00 0.00 179.01 179.39 1p44 h ALA 81 N 1.54 -0.23 -0.00 1.06 0.00 -0.40 -3.31 119.26 117.92 1p44 h ALA 81 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p44 h ALA 81 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1p44 h ALA 81 CO 0.06 -0.25 -0.09 0.44 0.00 0.00 0.00 179.25 179.41 1p44 n ILE 82 N -4.92 0.00 -0.42 0.00 -5.35 0.32 -5.03 119.36 103.97 1p44 n ILE 82 Ca -0.06 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1p44 n ILE 82 Cb 0.20 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1p44 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p44 n GLY 83 N 1.28 -3.69 3.55 3.28 0.00 0.27 -4.75 105.19 105.13 1p44 n GLY 83 Ca 0.14 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.16 -0.48 0.00 4.61 0.00 -0.93 -2.82 120.51 120.72 1p44 n ALA 84 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1p44 n ALA 84 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 1.45 0.51 3.27 0.00 0.00 -1.26 -5.07 105.19 104.08 1p44 n GLY 85 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.98 2.16 0.42 1.61 0.01 -1.13 -5.16 114.94 109.88 1p44 s ASN 86 Ca 0.00 -0.83 0.04 0.00 -0.71 0.00 0.00 52.86 51.36 1p44 s ASN 86 Cb 0.00 -0.09 -0.05 0.00 0.41 0.00 0.00 41.25 41.52 1p44 s ASN 86 CO 0.00 -0.13 0.03 -0.54 -1.51 0.00 0.00 177.10 174.95 1p44 s LYS 87 N -2.76 1.97 -0.16 -0.60 3.01 -1.26 -4.96 119.74 114.98 1p44 s LYS 87 Ca 0.11 -2.17 -0.19 0.00 -1.01 0.00 0.00 55.97 52.71 1p44 s LYS 87 Cb -0.05 -1.33 -0.03 0.00 -1.01 0.00 0.00 37.83 35.41 1p44 s LYS 87 CO 0.04 -0.22 0.54 -0.51 0.51 0.00 0.00 175.35 175.70 1p44 s LEU 88 N -3.71 4.21 -0.04 3.17 1.43 0.10 -4.60 118.68 119.24 1p44 s LEU 88 Ca 0.25 0.80 0.14 0.00 -1.03 0.00 0.00 54.13 54.29 1p44 s LEU 88 Cb 0.06 -2.77 -0.22 0.00 0.03 0.00 0.00 46.19 43.30 1p44 s LEU 88 CO 0.12 -0.12 0.62 0.47 0.23 0.00 0.00 176.35 177.67 1p44 n ASP 89 N 4.34 0.75 -3.92 2.29 8.00 0.25 -2.32 116.55 125.94 1p44 n ASP 89 Ca -0.05 0.35 -0.10 0.00 0.71 0.00 0.00 54.79 55.70 1p44 n ASP 89 Cb 0.51 0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 1p44 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p44 s GLY 90 N -5.09 0.12 -0.18 0.44 0.00 -0.23 -1.90 107.32 100.48 1p44 s GLY 90 Ca -0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.33 1p44 s GLY 90 CO 0.82 -0.35 0.09 0.14 0.00 0.00 0.00 173.10 173.81 1p44 s VAL 91 N -0.92 -0.03 -0.22 1.40 1.01 -0.84 0.49 120.40 121.29 1p44 s VAL 91 Ca -0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1p44 s VAL 91 Cb -0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1p44 s VAL 91 CO -0.00 -0.32 0.12 -0.69 0.00 0.00 0.00 175.10 174.21 1p44 s VAL 92 N 2.11 5.08 -0.65 2.92 1.01 -0.59 -1.02 120.40 129.26 1p44 s VAL 92 Ca 0.02 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 1p44 s VAL 92 Cb -0.16 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.04 1p44 s VAL 92 CO -0.12 0.38 0.53 -2.28 0.00 0.00 0.00 175.10 173.61 1p44 s HIS 93 N 0.90 3.53 -0.72 5.22 2.46 0.96 -3.23 115.29 124.40 1p44 s HIS 93 Ca 0.06 -2.21 0.03 0.00 0.47 0.00 0.00 55.06 53.41 1p44 s HIS 93 Cb -0.13 -3.50 0.30 0.00 -0.13 0.00 0.00 32.58 29.12 1p44 s HIS 93 CO 0.03 -0.94 1.07 0.45 -2.47 0.00 0.00 174.74 172.88 1p44 n SER 94 N 4.08 4.89 -4.11 9.88 2.88 -1.26 -2.53 113.62 127.44 1p44 n SER 94 Ca 0.05 -3.58 -0.24 0.00 -1.33 0.00 0.00 58.87 53.77 1p44 n SER 94 Cb 0.42 -0.76 -0.16 0.00 -0.75 0.00 0.00 64.21 62.96 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 -3.63 1.22 -0.23 2.46 1.01 -1.26 -3.69 121.20 117.08 1p44 s ILE 95 Ca 0.43 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 1p44 s ILE 95 Cb 0.20 -1.04 0.06 0.00 0.01 0.00 0.00 42.46 41.69 1p44 s ILE 95 CO -0.07 0.35 0.62 -0.83 0.00 0.00 0.00 174.94 175.01 1p44 s GLY 96 N -0.10 -0.47 0.04 6.18 0.00 -1.26 -4.64 107.32 107.07 1p44 s GLY 96 Ca 0.00 1.78 -0.12 0.00 0.00 0.00 0.00 44.72 46.38 1p44 s GLY 96 CO 0.01 1.55 0.27 -0.12 0.00 0.00 0.00 173.10 174.81 1p44 s PHE 97 N 0.40 -0.06 -0.30 1.90 5.36 -1.26 -4.99 117.98 119.03 1p44 s PHE 97 Ca -0.01 -0.08 -0.19 0.00 -0.96 0.00 0.00 56.93 55.70 1p44 s PHE 97 Cb -0.04 0.06 0.19 0.00 -0.34 0.00 0.00 43.02 42.89 1p44 s PHE 97 CO -0.00 -0.47 1.26 1.41 -1.46 0.00 0.00 175.22 175.96 1p44 s MET 98 N -2.43 0.06 0.58 10.12 -2.45 -1.26 -4.68 119.30 119.23 1p44 s MET 98 Ca -0.06 0.14 -0.19 0.00 -1.25 0.00 0.00 55.69 54.33 1p44 s MET 98 Cb -0.01 0.08 -0.04 0.00 1.25 0.00 0.00 34.83 36.10 1p44 s MET 98 CO -0.03 -0.02 1.19 -2.14 1.05 0.00 0.00 175.02 175.07 1p44 s PRO 99 N 1.98 3.09 0.60 4.11 0.02 -1.26 -4.84 135.00 138.69 1p44 s PRO 99 Ca -0.01 1.78 0.27 0.00 0.02 0.00 0.00 61.00 63.07 1p44 s PRO 99 Cb -0.01 -1.96 1.18 0.00 0.02 0.00 0.00 34.50 33.73 1p44 s PRO 99 CO -0.16 -1.10 1.58 1.96 -0.33 0.00 0.00 177.00 178.96 1p44 h GLN 100 N 1.00 0.00 0.00 5.54 7.50 -2.00 0.29 115.11 127.44 1p44 h GLN 100 Ca -0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.65 1p44 h GLN 100 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 1p44 h GLN 100 CO 0.56 0.00 0.00 -2.37 -1.50 0.00 0.00 178.83 175.52 1p44 n THR 101 N -3.41 0.76 0.00 -0.54 5.66 -1.26 -2.86 114.28 112.62 1p44 n THR 101 Ca 0.15 0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1p44 n THR 101 Cb 1.10 -1.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 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 -0.53 0.86 1.04 1.09 0.00 0.10 -3.94 105.19 103.81 1p44 n GLY 102 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1p44 n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p44 n MET 103 N -0.85 0.00 0.00 1.61 2.00 -1.14 -0.46 117.12 118.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 3.15 0.00 0.92 3.03 0.00 -1.19 -4.35 105.19 106.73 1p44 n GLY 104 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1p44 n GLY 104 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1p44 n ILE 105 N 0.00 0.52 -2.87 -0.61 0.00 -1.26 -4.58 119.36 110.56 1p44 n ILE 105 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 62.75 61.75 1p44 n ILE 105 Cb 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 39.64 40.11 1p44 n ILE 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1p44 s ASN 106 N -1.28 7.37 0.72 9.51 2.47 -1.26 -5.02 114.94 127.44 1p44 s ASN 106 Ca 0.36 1.75 -0.16 0.00 0.42 0.00 0.00 52.86 55.22 1p44 s ASN 106 Cb 0.19 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1p44 s ASN 106 CO 0.27 0.06 1.16 -2.65 -3.72 0.00 0.00 177.10 172.21 1p44 n PRO 107 N 1.00 0.65 -0.21 0.43 -0.02 -1.26 -4.84 135.00 130.75 1p44 n PRO 107 Ca -0.01 0.28 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1p44 n PRO 107 Cb 0.49 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1p44 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1p44 h PHE 108 N -0.14 0.92 0.00 6.00 3.04 -1.95 -2.94 116.94 121.88 1p44 h PHE 108 Ca -0.48 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.39 1p44 h PHE 108 Cb 1.33 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1p44 h PHE 108 CO 0.42 0.75 0.00 0.74 -2.02 0.00 0.00 178.31 178.20 1p44 h PHE 109 N 0.82 0.00 -0.70 0.41 0.04 -1.97 -3.25 116.94 112.30 1p44 h PHE 109 Ca 0.19 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.73 1p44 h PHE 109 Cb 0.24 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.25 1p44 h PHE 109 CO 0.01 0.00 0.30 -0.25 -0.60 0.00 0.00 178.31 177.77 1p44 n ASP 110 N -2.89 4.39 -4.42 2.17 10.43 -1.11 -4.87 116.55 120.25 1p44 n ASP 110 Ca -0.01 -3.13 -0.43 0.00 2.57 0.00 0.00 54.79 53.79 1p44 n ASP 110 Cb 0.18 -0.73 -0.09 0.00 1.84 0.00 0.00 41.12 42.32 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 -2.73 3.48 0.26 2.24 0.00 -1.23 -4.95 121.76 118.84 1p44 s ALA 111 Ca 0.49 -1.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.27 1p44 s ALA 111 Cb 0.39 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.48 1p44 s ALA 111 CO 0.12 -1.55 1.50 -0.35 0.00 0.00 0.00 175.76 175.47 1p44 n PRO 112 N 5.15 2.33 -0.25 0.00 -0.04 -1.26 -4.83 135.00 136.10 1p44 n PRO 112 Ca -0.12 0.83 0.05 0.00 -0.04 0.00 0.00 63.50 64.23 1p44 n PRO 112 Cb 0.46 -2.55 0.16 0.00 -0.04 0.00 0.00 33.50 31.53 1p44 n PRO 112 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1p44 h TYR 113 N 4.53 -0.01 -1.42 0.54 3.20 -1.99 -0.45 116.97 121.37 1p44 h TYR 113 Ca -0.46 0.05 0.42 0.00 3.14 0.00 0.00 58.73 61.89 1p44 h TYR 113 Cb 1.25 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 39.56 1p44 h TYR 113 CO 0.57 -0.22 0.99 0.00 -1.64 0.00 0.00 178.16 177.86 1p44 h ALA 114 N 1.69 3.12 0.24 1.82 0.00 -1.98 0.73 119.26 124.89 1p44 h ALA 114 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.99 1p44 h ALA 114 Cb 0.73 0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.68 1p44 h ALA 114 CO -0.65 -1.61 -1.49 -0.44 0.00 0.00 0.00 179.25 175.07 1p44 h ASP 115 N 0.07 0.80 -0.19 0.00 5.19 -1.43 -2.28 116.42 118.58 1p44 h ASP 115 Ca 0.74 -0.87 -0.17 0.00 -0.62 0.00 0.00 57.03 56.10 1p44 h ASP 115 Cb 2.67 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 41.92 1p44 h ASP 115 CO -0.15 1.69 -0.53 0.58 -3.12 0.00 0.00 179.24 177.71 1p44 h VAL 116 N 0.14 1.29 -0.56 -1.35 2.07 -0.40 -0.51 116.25 116.94 1p44 h VAL 116 Ca -0.25 -1.73 -0.09 0.00 0.82 0.00 0.00 66.70 65.45 1p44 h VAL 116 Cb 2.15 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 1p44 h VAL 116 CO 0.27 0.56 -0.01 -1.28 0.02 0.00 0.00 177.57 177.12 1p44 h SER 117 N 0.60 0.97 0.10 0.57 0.87 0.18 0.23 113.55 117.08 1p44 h SER 117 Ca 0.02 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1p44 h SER 117 Cb 1.11 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1p44 h SER 117 CO 0.11 1.05 -0.27 0.50 -0.53 0.00 0.00 176.83 177.69 1p44 h LYS 118 N 0.87 0.27 -0.06 2.24 3.64 -1.33 -1.91 116.57 120.28 1p44 h LYS 118 Ca 0.16 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1p44 h LYS 118 Cb 0.55 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1p44 h LYS 118 CO 0.03 0.53 -0.00 0.78 -2.27 0.00 0.00 179.45 178.51 1p44 h GLY 119 N 1.00 0.12 2.00 5.01 0.00 0.06 -3.02 103.07 108.24 1p44 h GLY 119 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1p44 h GLY 119 CO 0.04 0.09 -0.26 -2.22 0.00 0.00 0.00 176.54 174.19 1p44 h ILE 120 N -0.19 0.69 -0.67 2.60 2.04 -0.55 -1.37 117.51 120.07 1p44 h ILE 120 Ca 0.02 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1p44 h ILE 120 Cb 0.35 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1p44 h ILE 120 CO 0.00 0.26 0.29 -0.74 0.00 0.00 0.00 178.15 177.96 1p44 h HIS 121 N 0.00 0.99 0.00 1.37 2.76 -1.23 0.43 115.15 119.47 1p44 h HIS 121 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1p44 h HIS 121 Cb 0.72 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1p44 h HIS 121 CO 0.00 0.76 -1.52 -0.89 -1.30 0.00 0.00 177.93 174.98 1p44 n ILE 122 N -4.43 0.22 -0.08 6.26 5.41 -1.15 -1.88 119.36 123.71 1p44 n ILE 122 Ca 0.05 -0.46 -0.11 0.00 1.00 0.00 0.00 62.75 63.22 1p44 n ILE 122 Cb 0.15 -0.04 -0.15 0.00 -0.71 0.00 0.00 39.64 38.89 1p44 n ILE 122 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1p44 n SER 123 N -2.32 0.55 0.00 4.38 7.64 -0.52 -4.44 113.62 118.91 1p44 n SER 123 Ca -0.02 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1p44 n SER 123 Cb 0.54 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 1p44 n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p44 n ALA 124 N -2.78 1.65 -0.40 -0.43 0.00 0.14 -4.74 120.51 113.95 1p44 n ALA 124 Ca -0.31 -0.02 0.36 0.00 0.00 0.00 0.00 53.44 53.48 1p44 n ALA 124 Cb 1.11 0.00 0.64 0.00 0.00 0.00 0.00 19.45 21.19 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 0.00 0.66 0.00 0.00 3.20 -1.27 0.24 116.97 119.80 1p44 h TYR 125 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1p44 h TYR 125 Cb 0.00 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1p44 h TYR 125 CO 0.00 -0.37 -0.16 0.66 -1.64 0.00 0.00 178.16 176.65 1p44 h SER 126 N 0.01 0.00 -0.83 -2.11 4.64 -1.60 -1.47 113.55 112.18 1p44 h SER 126 Ca 0.87 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 62.29 1p44 h SER 126 Cb 2.55 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.57 1p44 h SER 126 CO -0.61 0.16 0.48 0.22 -0.87 0.00 0.00 176.83 176.20 1p44 h TYR 127 N 0.00 0.86 0.00 4.77 3.20 -0.80 0.16 116.97 125.17 1p44 h TYR 127 Ca -0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1p44 h TYR 127 Cb 0.29 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1p44 h TYR 127 CO 0.00 0.34 -0.32 0.00 -1.64 0.00 0.00 178.16 176.54 1p44 h ALA 128 N 1.47 0.91 0.37 1.82 0.00 -1.41 -3.09 119.26 119.33 1p44 h ALA 128 Ca 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1p44 h ALA 128 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p44 h ALA 128 CO -0.26 0.41 -0.18 0.77 0.00 0.00 0.00 179.25 179.99 1p44 h SER 129 N 0.00 -0.43 -0.11 0.00 0.02 -0.13 -2.06 113.55 110.84 1p44 h SER 129 Ca -0.00 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1p44 h SER 129 Cb 0.99 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1p44 h SER 129 CO 0.04 -0.01 0.09 0.24 -1.14 0.00 0.00 176.83 176.05 1p44 h MET 130 N -0.95 0.00 0.80 3.45 2.07 -1.42 -2.44 114.93 116.44 1p44 h MET 130 Ca -0.05 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 1p44 h MET 130 Cb 0.54 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.27 1p44 h MET 130 CO 0.08 0.00 -0.38 0.00 1.07 0.00 0.00 176.91 177.68 1p44 h ALA 131 N 1.93 -1.09 -0.56 6.32 0.00 -1.47 0.12 119.26 124.50 1p44 h ALA 131 Ca 0.05 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.89 1p44 h ALA 131 Cb 0.23 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1p44 h ALA 131 CO -0.00 -1.01 0.45 -0.22 0.00 0.00 0.00 179.25 178.47 1p44 h LYS 132 N -1.27 0.00 0.00 0.00 3.64 -1.01 0.01 116.57 117.94 1p44 h LYS 132 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1p44 h LYS 132 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1p44 h LYS 132 CO 0.18 0.00 -1.01 0.00 -2.27 0.00 0.00 179.45 176.35 1p44 n ALA 133 N -2.56 3.81 -0.00 5.00 0.00 -0.95 -4.46 120.51 121.34 1p44 n ALA 133 Ca 0.11 -0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.11 1p44 n ALA 133 Cb 0.68 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 1p44 n ALA 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p44 n LEU 134 N -1.76 0.00 -0.16 0.00 4.77 0.39 -3.96 117.00 116.27 1p44 n LEU 134 Ca 0.03 -0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 1p44 n LEU 134 Cb 0.40 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1p44 n LEU 134 CO 0.41 0.00 1.05 0.25 -1.33 0.00 0.00 177.39 177.76 1p44 h LEU 135 N 0.00 0.46 0.00 2.23 5.85 -1.24 -1.82 115.31 120.79 1p44 h LEU 135 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1p44 h LEU 135 Cb 0.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1p44 h LEU 135 CO 0.00 0.32 0.03 -2.65 -0.34 0.00 0.00 178.44 175.80 1p44 n PRO 136 N -4.82 0.00 -1.43 5.25 -0.02 -1.26 -1.82 135.00 130.90 1p44 n PRO 136 Ca 0.03 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1p44 n PRO 136 Cb 0.08 -1.53 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.40 1.44 -4.38 4.25 -5.35 -0.69 -5.08 119.36 108.16 1p44 n ILE 137 Ca 0.00 -2.67 -0.28 0.00 -0.27 0.00 0.00 62.75 59.53 1p44 n ILE 137 Cb 0.03 0.21 -0.12 0.00 -1.74 0.00 0.00 39.64 38.02 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 -2.37 1.59 0.13 6.28 -1.94 -0.75 0.03 119.30 122.27 1p44 s MET 138 Ca 0.37 -1.38 -0.16 0.00 -1.71 0.00 0.00 55.69 52.81 1p44 s MET 138 Cb 0.38 -1.94 -0.07 0.00 2.01 0.00 0.00 34.83 35.20 1p44 s MET 138 CO -0.08 0.43 0.57 -0.80 -0.01 0.00 0.00 175.02 175.13 1p44 s ASN 139 N -2.41 6.92 0.43 3.03 0.01 -0.98 -4.85 114.94 117.09 1p44 s ASN 139 Ca 0.19 1.17 -0.26 0.00 -0.71 0.00 0.00 52.86 53.25 1p44 s ASN 139 Cb -0.09 -2.32 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 1p44 s ASN 139 CO 0.09 0.16 1.32 -0.81 -1.51 0.00 0.00 177.10 176.35 1p44 n PRO 140 N 1.10 2.04 -0.11 -0.60 -0.04 -1.26 -0.74 135.00 135.40 1p44 n PRO 140 Ca -0.07 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1p44 n PRO 140 Cb 0.51 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1p44 n PRO 140 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p44 n GLY 141 N 0.74 0.72 3.32 0.55 0.00 -1.19 -4.92 105.19 104.41 1p44 n GLY 141 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1p44 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 142 N -2.00 -2.42 2.77 -0.02 0.00 0.08 -4.73 105.19 98.86 1p44 n GLY 142 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 1p44 n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p44 s SER 143 N -2.01 1.23 -0.13 1.61 0.15 -0.80 -1.90 113.70 111.86 1p44 s SER 143 Ca 0.60 -0.02 -0.10 0.00 0.70 0.00 0.00 55.95 57.13 1p44 s SER 143 Cb -0.16 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.33 1p44 s SER 143 CO 0.66 -0.29 0.20 -0.63 1.20 0.00 0.00 173.24 174.38 1p44 s ILE 144 N 2.28 5.38 -0.01 6.45 1.01 -0.37 -1.99 121.20 133.96 1p44 s ILE 144 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 1p44 s ILE 144 Cb -0.14 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1p44 s ILE 144 CO -0.08 0.54 0.03 0.54 0.00 0.00 0.00 174.94 175.96 1p44 s VAL 145 N -0.49 0.02 0.12 2.92 0.11 -0.18 -1.23 120.40 121.66 1p44 s VAL 145 Ca 0.15 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1p44 s VAL 145 Cb -0.13 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1p44 s VAL 145 CO 0.04 -0.07 -0.10 -0.83 -3.33 0.00 0.00 175.10 170.80 1p44 s GLY 146 N -0.21 0.94 -0.16 6.54 0.00 0.15 -0.03 107.32 114.55 1p44 s GLY 146 Ca -0.02 -1.31 -0.19 0.00 0.00 0.00 0.00 44.72 43.20 1p44 s GLY 146 CO -0.00 -1.39 0.52 1.06 0.00 0.00 0.00 173.10 173.28 1p44 s MET 147 N -3.17 4.27 0.31 2.90 -1.94 -1.05 -0.08 119.30 120.54 1p44 s MET 147 Ca 0.10 0.47 0.11 0.00 -1.71 0.00 0.00 55.69 54.65 1p44 s MET 147 Cb -0.01 -3.50 -0.06 0.00 2.01 0.00 0.00 34.83 33.27 1p44 s MET 147 CO 0.00 -0.01 -0.14 0.34 -0.01 0.00 0.00 175.02 175.20 1p44 s ASP 148 N 0.91 3.70 -0.35 3.03 3.68 -0.10 -4.90 116.67 122.63 1p44 s ASP 148 Ca 0.26 -1.09 0.00 0.00 2.13 0.00 0.00 52.55 53.85 1p44 s ASP 148 Cb -0.15 -0.34 0.14 0.00 -1.45 0.00 0.00 42.92 41.12 1p44 s ASP 148 CO 0.10 -0.08 0.22 0.12 0.13 0.00 0.00 175.17 175.67 1p44 s PHE 149 N -2.55 0.71 0.00 -5.34 5.99 -1.26 -2.48 117.98 113.05 1p44 s PHE 149 Ca 0.31 -1.65 0.00 0.00 0.00 0.00 0.00 56.93 55.60 1p44 s PHE 149 Cb -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 43.02 42.11 1p44 s PHE 149 CO 0.16 -0.83 0.00 -3.47 -0.00 0.00 0.00 175.22 171.08 1p44 n ASP 150 N 3.97 0.00 -1.08 6.13 4.64 -1.26 -4.83 116.55 124.12 1p44 n ASP 150 Ca 0.13 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.62 1p44 n ASP 150 Cb 0.38 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.73 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 0.00 3.29 -0.14 -0.67 -0.04 -1.26 -4.62 135.00 131.56 1p44 n PRO 151 Ca 0.00 -2.70 -0.09 0.00 -0.04 0.00 0.00 63.50 60.67 1p44 n PRO 151 Cb 0.00 -1.76 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1p44 n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p44 h SER 152 N 2.56 0.93 -3.41 3.54 4.64 -1.94 -3.43 113.55 116.45 1p44 h SER 152 Ca 0.00 -0.33 -0.66 0.00 -0.47 0.00 0.00 61.79 60.32 1p44 h SER 152 Cb 1.33 -0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 1p44 h SER 152 CO 0.20 1.09 -0.66 -0.13 -0.87 0.00 0.00 176.83 176.46 1p44 s ARG 153 N -4.70 2.68 0.18 4.77 1.81 -1.26 -5.11 118.95 117.32 1p44 s ARG 153 Ca -0.11 -0.69 -0.16 0.00 -1.72 0.00 0.00 55.73 53.05 1p44 s ARG 153 Cb 0.13 -2.60 -0.07 0.00 -0.45 0.00 0.00 34.95 31.95 1p44 s ARG 153 CO 0.85 0.60 0.62 0.00 -0.68 0.00 0.00 175.30 176.69 1p44 s ALA 154 N -1.13 3.51 0.25 2.13 0.00 -1.26 -5.08 121.76 120.18 1p44 s ALA 154 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1p44 s ALA 154 Cb -0.11 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1p44 s ALA 154 CO 0.12 0.40 0.13 0.00 0.00 0.00 0.00 175.76 176.41 1p44 s MET 155 N -1.99 1.39 0.56 0.00 0.23 -1.26 -5.16 119.30 113.07 1p44 s MET 155 Ca 0.40 -1.76 -0.08 0.00 -1.03 0.00 0.00 55.69 53.23 1p44 s MET 155 Cb -0.15 -0.04 -0.03 0.00 -1.53 0.00 0.00 34.83 33.08 1p44 s MET 155 CO 0.20 -0.37 0.90 -1.25 -2.03 0.00 0.00 175.02 172.47 1p44 s PRO 156 N -4.01 3.45 0.00 3.16 0.04 -1.26 -4.20 135.00 132.18 1p44 s PRO 156 Ca 0.38 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1p44 s PRO 156 Cb 0.07 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1p44 s PRO 156 CO 0.14 -0.44 0.00 0.00 0.04 0.00 0.00 177.00 176.75 1p44 n ALA 157 N -2.51 0.00 0.13 8.56 0.00 -1.26 -4.55 120.51 120.88 1p44 n ALA 157 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1p44 n ALA 157 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.76 -3.33 116.97 111.89 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 0.63 0.00 0.09 -0.00 0.00 0.00 178.16 178.88 1p44 n ASN 159 N -3.79 0.00 0.30 -2.11 3.02 -1.26 -0.37 115.26 111.06 1p44 n ASN 159 Ca -0.01 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.74 1p44 n ASN 159 Cb 0.63 0.00 0.95 0.00 -0.61 0.00 0.00 39.78 40.75 1p44 n ASN 159 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1p44 h TRP 160 N 0.00 0.00 0.00 3.10 4.06 -1.08 -0.45 115.95 121.57 1p44 h TRP 160 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1p44 h TRP 160 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1p44 h TRP 160 CO 0.00 0.00 0.00 -0.12 -3.56 0.00 0.00 178.44 174.76 1p44 n MET 161 N -3.06 0.03 0.11 0.49 1.56 0.50 -2.41 117.12 114.35 1p44 n MET 161 Ca -0.01 0.07 -0.21 0.00 -0.27 0.00 0.00 57.70 57.28 1p44 n MET 161 Cb 0.18 -1.54 -0.15 0.00 2.15 0.00 0.00 33.22 33.87 1p44 n MET 161 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1p44 h THR 162 N 0.00 1.28 -0.25 1.12 2.02 -1.01 -2.96 112.91 113.12 1p44 h THR 162 Ca 0.00 -2.80 -0.12 0.00 0.77 0.00 0.00 66.41 64.27 1p44 h THR 162 Cb 0.48 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1p44 h THR 162 CO 0.00 0.84 -0.33 0.58 0.37 0.00 0.00 175.52 176.98 1p44 h VAL 163 N 0.11 1.29 0.80 3.16 2.07 -1.51 -2.32 116.25 119.84 1p44 h VAL 163 Ca -0.23 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 1p44 h VAL 163 Cb 2.09 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1p44 h VAL 163 CO 0.23 0.45 -0.42 0.00 0.02 0.00 0.00 177.57 177.85 1p44 h ALA 164 N 1.19 -1.14 -0.63 1.67 0.00 -1.50 -1.95 119.26 116.90 1p44 h ALA 164 Ca 0.05 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1p44 h ALA 164 Cb 0.80 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1p44 h ALA 164 CO 0.06 -1.14 0.15 0.87 0.00 0.00 0.00 179.25 179.19 1p44 h LYS 165 N -1.12 0.27 -0.96 0.00 1.79 -1.48 0.51 116.57 115.57 1p44 h LYS 165 Ca -0.11 -0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.49 1p44 h LYS 165 Cb 0.88 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.38 1p44 h LYS 165 CO 0.15 0.18 0.61 0.77 -1.08 0.00 0.00 179.45 180.08 1p44 h SER 166 N 0.27 0.78 -0.32 0.86 0.02 -1.18 0.12 113.55 114.12 1p44 h SER 166 Ca 0.34 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.27 1p44 h SER 166 Cb 0.51 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1p44 h SER 166 CO -0.42 0.38 -0.09 0.00 -1.14 0.00 0.00 176.83 175.56 1p44 h ALA 167 N 1.58 0.44 0.40 3.77 0.00 0.67 -2.69 119.26 123.42 1p44 h ALA 167 Ca 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p44 h ALA 167 Cb 0.67 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1p44 h ALA 167 CO -0.26 0.28 -0.44 1.25 0.00 0.00 0.00 179.25 180.08 1p44 h LEU 168 N 0.39 -1.21 -1.14 0.00 6.46 0.15 0.12 115.31 120.07 1p44 h LEU 168 Ca 0.08 0.11 0.27 0.00 -0.12 0.00 0.00 57.88 58.21 1p44 h LEU 168 Cb 0.59 0.41 -0.12 0.00 -0.73 0.00 0.00 40.66 40.81 1p44 h LEU 168 CO 0.03 -0.58 0.63 -0.33 -0.62 0.00 0.00 178.44 177.57 1p44 h GLU 169 N -0.86 0.47 0.16 1.25 5.08 -0.87 0.31 114.58 120.11 1p44 h GLU 169 Ca -0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1p44 h GLU 169 Cb 0.78 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1p44 h GLU 169 CO -0.09 0.31 -0.08 1.03 -1.00 0.00 0.00 179.01 179.18 1p44 h SER 170 N 0.48 -0.19 -0.60 1.42 0.87 -0.95 -3.03 113.55 111.56 1p44 h SER 170 Ca 0.64 -0.24 0.13 0.00 -1.23 0.00 0.00 61.79 61.09 1p44 h SER 170 Cb 1.41 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 1p44 h SER 170 CO -0.42 0.15 0.41 0.58 -0.53 0.00 0.00 176.83 177.01 1p44 h VAL 171 N -0.54 0.82 0.00 2.23 2.07 0.21 0.12 116.25 121.16 1p44 h VAL 171 Ca -0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1p44 h VAL 171 Cb 0.41 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1p44 h VAL 171 CO 0.04 0.05 0.00 -3.20 0.02 0.00 0.00 177.57 174.48 1p44 n ASN 172 N -4.45 0.42 0.07 0.57 5.15 0.53 -1.22 115.26 116.33 1p44 n ASN 172 Ca 0.11 0.58 -0.02 0.00 -0.60 0.00 0.00 54.58 54.64 1p44 n ASN 172 Cb 0.48 -0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 38.99 1p44 n ASN 172 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1p44 h ARG 173 N 0.00 0.00 0.05 1.20 3.08 -0.72 -2.87 114.38 115.11 1p44 h ARG 173 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1p44 h ARG 173 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1p44 h ARG 173 CO 0.00 0.61 -1.80 1.19 -1.07 0.00 0.00 179.97 178.90 1p44 n PHE 174 N -3.17 0.89 0.12 3.04 3.01 -1.11 -3.86 117.46 116.39 1p44 n PHE 174 Ca -0.04 0.28 0.19 0.00 1.01 0.00 0.00 57.45 58.90 1p44 n PHE 174 Cb 0.86 -1.10 0.71 0.00 -0.01 0.00 0.00 39.48 39.94 1p44 n PHE 174 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1p44 h VAL 175 N -0.52 0.25 0.00 -4.37 2.07 -1.30 0.11 116.25 112.48 1p44 h VAL 175 Ca -0.44 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.84 1p44 h VAL 175 Cb 1.66 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1p44 h VAL 175 CO -0.12 0.00 -0.97 0.00 0.02 0.00 0.00 177.57 176.50 1p44 h ALA 176 N 1.33 0.30 0.10 1.67 0.00 -1.61 -2.18 119.26 118.87 1p44 h ALA 176 Ca 0.18 -0.71 -0.27 0.00 0.00 0.00 0.00 54.91 54.11 1p44 h ALA 176 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1p44 h ALA 176 CO -0.00 0.79 -1.18 0.07 0.00 0.00 0.00 179.25 178.93 1p44 h ARG 177 N 0.27 0.41 0.41 0.00 0.11 -0.96 -0.72 114.38 113.89 1p44 h ARG 177 Ca -0.09 -0.58 -0.01 0.00 0.10 0.00 0.00 59.98 59.40 1p44 h ARG 177 Cb 1.61 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 32.87 1p44 h ARG 177 CO 0.17 1.24 -0.44 0.93 0.10 0.00 0.00 179.97 181.98 1p44 h GLU 178 N 0.17 -0.82 0.00 0.08 4.39 -1.28 -0.04 114.58 117.07 1p44 h GLU 178 Ca -0.14 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1p44 h GLU 178 Cb 1.86 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1p44 h GLU 178 CO 0.21 -0.55 0.09 0.00 -1.16 0.00 0.00 179.01 177.60 1p44 h ALA 179 N -1.00 1.09 -0.34 3.43 0.00 -1.44 0.39 119.26 121.39 1p44 h ALA 179 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1p44 h ALA 179 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1p44 h ALA 179 CO -0.07 -0.09 0.23 0.78 0.00 0.00 0.00 179.25 180.09 1p44 h GLY 180 N 0.00 0.44 0.12 0.00 0.00 0.59 0.09 103.07 104.31 1p44 h GLY 180 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1p44 h GLY 180 CO 0.00 0.15 0.00 0.28 0.00 0.00 0.00 176.54 176.97 1p44 n LYS 181 N -4.49 0.50 0.00 4.80 5.02 0.13 -1.08 118.16 123.04 1p44 n LYS 181 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1p44 n LYS 181 Cb 0.11 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.56 0.00 0.00 2.13 4.02 -0.01 -4.98 117.16 117.76 1p44 n TYR 182 Ca 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1p44 n TYR 182 Cb 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.08 2.43 3.78 2.72 0.00 -0.24 -4.03 105.19 109.77 1p44 n GLY 183 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.48 3.43 0.28 1.61 1.01 -1.04 -3.14 120.40 120.07 1p44 s VAL 184 Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.13 1p44 s VAL 184 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1p44 s VAL 184 CO 0.00 -0.00 0.25 -0.13 0.00 0.00 0.00 175.10 175.22 1p44 s ARG 185 N -2.59 2.94 -0.06 2.72 0.52 -0.80 -3.83 118.95 117.86 1p44 s ARG 185 Ca 0.60 -1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1p44 s ARG 185 Cb -0.25 -2.59 0.03 0.00 0.52 0.00 0.00 34.95 32.66 1p44 s ARG 185 CO 0.31 0.31 0.02 0.45 0.02 0.00 0.00 175.30 176.42 1p44 s SER 186 N -3.91 1.31 0.07 0.23 0.15 -1.26 -1.23 113.70 109.05 1p44 s SER 186 Ca 0.36 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 1p44 s SER 186 Cb -0.08 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 1p44 s SER 186 CO 0.26 -0.21 -0.04 0.20 1.20 0.00 0.00 173.24 174.65 1p44 s ASN 187 N 1.96 0.68 -0.06 5.45 0.01 -0.36 -0.50 114.94 122.11 1p44 s ASN 187 Ca 0.04 -1.00 0.06 0.00 -0.71 0.00 0.00 52.86 51.24 1p44 s ASN 187 Cb -0.12 0.17 -0.01 0.00 0.41 0.00 0.00 41.25 41.70 1p44 s ASN 187 CO -0.04 -0.56 -0.24 -0.76 -1.51 0.00 0.00 177.10 173.99 1p44 s LEU 188 N -2.96 2.05 -0.30 0.60 1.02 -0.99 0.30 118.68 118.40 1p44 s LEU 188 Ca 0.09 -0.50 -0.10 0.00 0.02 0.00 0.00 54.13 53.63 1p44 s LEU 188 Cb 0.07 -1.33 -0.02 0.00 0.02 0.00 0.00 46.19 44.93 1p44 s LEU 188 CO -0.08 0.22 0.16 -0.69 0.02 0.00 0.00 176.35 175.98 1p44 s VAL 189 N -0.04 4.84 -0.55 -1.59 1.01 0.89 -1.23 120.40 123.72 1p44 s VAL 189 Ca -0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1p44 s VAL 189 Cb -0.14 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1p44 s VAL 189 CO 0.04 0.14 0.86 0.00 0.00 0.00 0.00 175.10 176.15 1p44 s ALA 190 N 1.67 3.21 0.38 5.51 0.00 0.05 -0.93 121.76 131.65 1p44 s ALA 190 Ca 0.06 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 1p44 s ALA 190 Cb -0.17 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 1p44 s ALA 190 CO 0.08 -2.34 0.71 0.00 0.00 0.00 0.00 175.76 174.20 1p44 s ALA 191 N 3.61 3.43 0.92 0.00 0.00 -1.04 -0.57 121.76 128.12 1p44 s ALA 191 Ca 0.25 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 1p44 s ALA 191 Cb -0.15 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.55 1p44 s ALA 191 CO 0.16 0.03 1.21 0.20 0.00 0.00 0.00 175.76 177.36 1p44 s GLY 192 N -3.25 1.65 0.25 0.00 0.00 -0.60 -4.76 107.32 100.61 1p44 s GLY 192 Ca 0.49 -0.82 -0.31 0.00 0.00 0.00 0.00 44.72 44.08 1p44 s GLY 192 CO 0.32 -0.19 1.66 -1.55 0.00 0.00 0.00 173.10 173.34 1p44 n PRO 193 N -3.70 2.72 -4.14 2.90 -0.04 -1.26 -4.99 135.00 126.49 1p44 n PRO 193 Ca 0.10 0.98 -0.15 0.00 -0.04 0.00 0.00 63.50 64.39 1p44 n PRO 193 Cb 0.60 -2.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.15 1p44 n PRO 193 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1p44 s ILE 194 N 0.60 0.68 0.45 0.52 1.01 -1.26 -4.38 121.20 118.81 1p44 s ILE 194 Ca 0.70 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 1p44 s ILE 194 Cb -0.51 -0.68 -0.08 0.00 0.01 0.00 0.00 42.46 41.20 1p44 s ILE 194 CO 0.40 -0.20 1.09 -0.13 0.00 0.00 0.00 174.94 176.10 1p44 s ARG 195 N -1.24 3.88 0.00 2.79 1.81 -1.09 -4.79 118.95 120.31 1p44 s ARG 195 Ca -0.05 1.58 0.00 0.00 -1.72 0.00 0.00 55.73 55.54 1p44 s ARG 195 Cb -0.08 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.06 1p44 s ARG 195 CO 0.01 -0.40 0.00 2.41 -0.68 0.00 0.00 175.30 176.63 1p44 n THR 196 N -0.51 0.00 -0.03 0.02 -1.04 -1.26 -4.74 114.28 106.72 1p44 n THR 196 Ca 0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.96 1p44 n THR 196 Cb 0.50 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.94 1p44 n THR 196 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1p44 h LEU 197 N 0.00 0.16 0.00 -4.42 -0.00 -1.95 -2.85 115.31 106.25 1p44 h LEU 197 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1p44 h LEU 197 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1p44 h LEU 197 CO 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 1p44 n ALA 198 N -2.28 -0.33 -0.43 1.53 0.00 -1.26 -1.34 120.51 116.41 1p44 n ALA 198 Ca -0.06 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.74 1p44 n ALA 198 Cb 0.18 0.05 0.64 0.00 0.00 0.00 0.00 19.45 20.32 1p44 n ALA 198 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1p44 h MET 199 N 0.00 0.07 0.69 0.00 1.85 -1.87 0.98 114.93 116.66 1p44 h MET 199 Ca 0.00 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1p44 h MET 199 Cb 0.00 -0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.02 1p44 h MET 199 CO 0.00 0.05 -0.33 0.77 -0.40 0.00 0.00 176.91 176.99 1p44 h SER 200 N 0.07 -0.79 0.14 1.39 0.02 -1.31 -0.86 113.55 112.21 1p44 h SER 200 Ca 0.83 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.82 1p44 h SER 200 Cb 2.53 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 65.25 1p44 h SER 200 CO -0.50 -0.47 -0.16 0.00 -1.14 0.00 0.00 176.83 174.56 1p44 h ALA 201 N -1.39 -0.31 0.00 3.77 0.00 0.29 0.31 119.26 121.92 1p44 h ALA 201 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p44 h ALA 201 Cb 0.71 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1p44 h ALA 201 CO 0.16 -0.70 0.29 -0.89 0.00 0.00 0.00 179.25 178.10 1p44 n ILE 202 N -5.29 0.84 -3.91 0.00 -0.00 0.32 -2.79 119.36 108.53 1p44 n ILE 202 Ca -0.07 0.60 -0.30 0.00 -0.00 0.00 0.00 62.75 62.97 1p44 n ILE 202 Cb 0.20 -1.60 -0.13 0.00 -0.00 0.00 0.00 39.64 38.12 1p44 n ILE 202 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1p44 s VAL 203 N -2.82 2.80 0.00 1.39 1.01 0.11 -4.45 120.40 118.44 1p44 s VAL 203 Ca -0.00 -3.64 0.00 0.00 0.00 0.00 0.00 61.98 58.33 1p44 s VAL 203 Cb 0.01 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1p44 s VAL 203 CO 0.04 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 174.87 1p44 n GLY 204 N 2.73 0.00 3.20 4.51 0.00 -1.12 -4.83 105.19 109.68 1p44 n GLY 204 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.05 0.00 -0.02 0.00 -1.26 -4.76 105.19 99.20 1p44 n GLY 205 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.00 1.66 -2.10 4.61 0.00 -1.16 -1.89 120.51 122.63 1p44 n ALA 206 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1p44 n ALA 206 Cb 0.33 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1p44 n ALA 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p44 n LEU 207 N -1.30 0.13 0.00 0.00 4.32 -1.26 -4.84 117.00 114.04 1p44 n LEU 207 Ca 0.05 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.77 1p44 n LEU 207 Cb 0.09 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1p44 n LEU 207 CO 0.09 0.54 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 1p44 n GLY 208 N 0.10 2.44 0.01 -0.72 0.00 -0.80 -4.55 105.19 101.68 1p44 n GLY 208 Ca -0.01 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1p44 n GLY 208 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p44 n GLU 209 N 1.37 0.05 0.08 1.61 2.13 -1.26 -2.67 120.64 121.95 1p44 n GLU 209 Ca 0.00 -0.03 -0.22 0.00 0.66 0.00 0.00 57.16 57.57 1p44 n GLU 209 Cb 0.00 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.08 1p44 n GLU 209 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1p44 h GLU 210 N 0.07 0.61 0.00 5.31 3.07 -1.99 -3.25 114.58 118.40 1p44 h GLU 210 Ca 0.00 -0.80 -0.00 0.00 -0.50 0.00 0.00 59.36 58.06 1p44 h GLU 210 Cb 0.50 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1p44 h GLU 210 CO 0.00 1.36 -0.00 0.00 -1.40 0.00 0.00 179.01 178.97 1p44 h ALA 211 N 0.28 -0.00 0.00 3.43 0.00 -1.80 -3.02 119.26 118.15 1p44 h ALA 211 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1p44 h ALA 211 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1p44 h ALA 211 CO 0.23 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1p44 n GLY 212 N 0.31 0.00 0.08 0.00 0.00 -1.09 -0.64 105.19 103.85 1p44 n GLY 212 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1p44 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 n ALA 213 N -0.75 1.60 0.02 4.61 0.00 -1.14 -3.73 120.51 121.12 1p44 n ALA 213 Ca 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 53.44 52.36 1p44 n ALA 213 Cb 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 1p44 n ALA 213 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1p44 h GLN 214 N 0.00 0.00 0.12 0.00 4.20 -0.95 -3.17 115.11 115.30 1p44 h GLN 214 Ca -0.44 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.00 1p44 h GLN 214 Cb 1.92 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.71 1p44 h GLN 214 CO 0.00 0.69 -1.21 0.97 -0.67 0.00 0.00 178.83 178.62 1p44 h ILE 215 N 0.00 1.43 0.85 2.54 -0.00 -1.65 -3.25 117.51 117.43 1p44 h ILE 215 Ca -0.15 -2.82 -0.04 0.00 -0.00 0.00 0.00 64.86 61.85 1p44 h ILE 215 Cb 1.86 2.82 0.00 0.00 -0.00 0.00 0.00 36.82 41.50 1p44 h ILE 215 CO 0.10 0.83 -0.45 -0.61 -0.00 0.00 0.00 178.15 178.02 1p44 h GLN 216 N 0.14 -1.15 0.00 2.19 5.75 -1.66 -2.83 115.11 117.54 1p44 h GLN 216 Ca -0.14 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1p44 h GLN 216 Cb 1.90 0.26 0.00 0.00 1.07 0.00 0.00 27.48 30.72 1p44 h GLN 216 CO 0.21 -0.77 0.00 1.37 -2.65 0.00 0.00 178.83 176.99 1p44 h LEU 217 N -1.19 0.00 -0.11 -2.39 8.10 -1.70 -0.73 115.31 117.29 1p44 h LEU 217 Ca -0.12 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.63 1p44 h LEU 217 Cb 0.93 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.16 1p44 h LEU 217 CO 0.16 0.00 -0.98 -0.07 -4.11 0.00 0.00 178.44 173.44 1p44 h LEU 218 N 0.00 0.67 -0.31 0.17 3.38 -1.54 -2.10 115.31 115.58 1p44 h LEU 218 Ca 0.00 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.36 1p44 h LEU 218 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1p44 h LEU 218 CO 0.00 1.34 -0.11 -0.33 0.09 0.00 0.00 178.44 179.43 1p44 h GLU 219 N 0.29 0.62 -0.39 1.13 5.08 -1.00 -1.70 114.58 118.60 1p44 h GLU 219 Ca -0.10 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1p44 h GLU 219 Cb 1.63 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.80 1p44 h GLU 219 CO 0.18 0.82 0.13 0.93 -1.00 0.00 0.00 179.01 180.07 1p44 h GLU 220 N 0.39 0.28 0.00 2.33 5.08 -1.43 -1.67 114.58 119.56 1p44 h GLU 220 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1p44 h GLU 220 Cb 0.61 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1p44 h GLU 220 CO 0.04 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 1p44 n GLY 221 N -1.23 -1.42 0.12 -3.84 0.00 -0.79 -2.02 105.19 96.01 1p44 n GLY 221 Ca 0.02 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1p44 n GLY 221 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1p44 h TRP 222 N 0.00 0.00 0.00 1.61 2.91 -0.34 -1.84 115.95 118.29 1p44 h TRP 222 Ca 0.00 0.00 -0.27 0.00 1.13 0.00 0.00 58.89 59.75 1p44 h TRP 222 Cb 0.48 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.08 1p44 h TRP 222 CO 0.00 0.00 -2.05 -3.47 -1.03 0.00 0.00 178.44 171.89 1p44 n ASP 223 N -2.43 0.30 0.19 2.65 -0.08 -1.00 -3.21 116.55 112.96 1p44 n ASP 223 Ca 0.05 0.14 -0.14 0.00 -1.51 0.00 0.00 54.79 53.33 1p44 n ASP 223 Cb 0.45 0.81 -0.08 0.00 2.34 0.00 0.00 41.12 44.64 1p44 n ASP 223 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1p44 h GLN 224 N 0.00 -0.45 -0.39 -0.67 5.75 -1.27 -3.30 115.11 114.77 1p44 h GLN 224 Ca -0.36 0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.03 1p44 h GLN 224 Cb 1.92 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.57 1p44 h GLN 224 CO 0.04 -0.17 -0.29 0.00 -2.65 0.00 0.00 178.83 175.76 1p44 h ARG 225 N -0.72 0.88 -6.17 1.69 3.08 -1.52 -3.44 114.38 108.20 1p44 h ARG 225 Ca -0.05 -0.43 -0.66 0.00 0.07 0.00 0.00 59.98 58.91 1p44 h ARG 225 Cb 0.49 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1p44 h ARG 225 CO 0.08 1.08 1.12 0.00 -1.07 0.00 0.00 179.97 181.18 1p44 n ALA 226 N -2.52 0.63 0.03 0.04 0.00 -1.20 -4.69 120.51 112.80 1p44 n ALA 226 Ca -0.02 0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1p44 n ALA 226 Cb 0.49 -2.44 0.45 0.00 0.00 0.00 0.00 19.45 17.95 1p44 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1p44 h PRO 227 N 9.48 0.47 -0.51 0.00 0.11 -1.75 -0.69 132.00 139.11 1p44 h PRO 227 Ca -0.43 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 1p44 h PRO 227 Cb 1.29 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 1p44 h PRO 227 CO 0.97 0.31 0.11 0.44 -0.21 0.00 0.00 178.00 179.63 1p44 n ILE 228 N -4.48 2.69 -1.30 4.15 -5.35 -1.26 -5.08 119.36 108.73 1p44 n ILE 228 Ca 0.03 -2.39 0.15 0.00 -0.27 0.00 0.00 62.75 60.27 1p44 n ILE 228 Cb 0.07 -0.35 -0.06 0.00 -1.74 0.00 0.00 39.64 37.56 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 -0.99 -2.32 2.89 3.28 0.00 -0.27 -4.87 105.19 102.91 1p44 n GLY 229 Ca 0.38 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.50 1.95 -1.28 1.61 -0.11 -1.26 -4.65 118.94 111.70 1p44 s TRP 230 Ca 0.00 -1.41 -0.11 0.00 1.22 0.00 0.00 56.10 55.80 1p44 s TRP 230 Cb 0.00 -1.41 0.16 0.00 -1.50 0.00 0.00 33.47 30.72 1p44 s TRP 230 CO 0.00 -0.70 1.79 -1.71 -4.62 0.00 0.00 176.95 171.71 1p44 n ASN 231 N 4.80 5.04 -0.05 5.86 2.85 -1.26 -4.73 115.26 127.78 1p44 n ASN 231 Ca -0.11 -3.06 0.00 0.00 -0.11 0.00 0.00 54.58 51.30 1p44 n ASN 231 Cb 0.46 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.96 1p44 n ASN 231 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 1p44 n MET 232 N 4.53 0.07 -0.00 1.20 -0.00 -1.26 -0.80 117.12 120.85 1p44 n MET 232 Ca 0.40 0.00 0.05 0.00 -0.00 0.00 0.00 57.70 58.15 1p44 n MET 232 Cb 0.38 -1.00 -0.07 0.00 -0.00 0.00 0.00 33.22 32.52 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 -0.41 1.82 -3.90 3.17 0.00 -1.26 -2.65 118.16 114.92 1p44 n LYS 233 Ca 0.00 -0.05 -0.35 0.00 -0.00 0.00 0.00 58.31 57.91 1p44 n LYS 233 Cb 0.00 -1.14 -0.14 0.00 -0.00 0.00 0.00 35.03 33.75 1p44 n LYS 233 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1p44 s ASP 234 N -2.68 4.78 0.00 -5.58 3.68 0.02 -4.92 116.67 111.97 1p44 s ASP 234 Ca -0.00 -1.11 0.26 0.00 2.13 0.00 0.00 52.55 53.82 1p44 s ASP 234 Cb 0.08 -1.72 0.65 0.00 -1.45 0.00 0.00 42.92 40.48 1p44 s ASP 234 CO 0.46 -0.22 1.51 0.00 0.13 0.00 0.00 175.17 177.04 1p44 n ALA 235 N 4.67 3.30 -0.07 3.66 0.00 -1.26 -4.15 120.51 126.66 1p44 n ALA 235 Ca -0.14 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.06 1p44 n ALA 235 Cb 0.45 -1.15 0.51 0.00 0.00 0.00 0.00 19.45 19.27 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 0.47 0.89 0.00 0.00 2.02 -1.93 0.53 112.91 114.89 1p44 h THR 236 Ca 0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1p44 h THR 236 Cb 0.50 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1p44 h THR 236 CO 0.00 0.07 -0.13 -0.65 0.37 0.00 0.00 175.52 175.18 1p44 h PRO 237 N 0.38 0.00 0.02 6.66 0.11 -1.97 -0.55 132.00 136.64 1p44 h PRO 237 Ca 0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 1p44 h PRO 237 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1p44 h PRO 237 CO -0.07 0.13 -0.34 0.28 -0.21 0.00 0.00 178.00 177.79 1p44 h VAL 238 N 0.00 1.60 0.17 3.15 2.07 -1.22 -3.12 116.25 118.89 1p44 h VAL 238 Ca -0.00 -2.34 0.01 0.00 0.82 0.00 0.00 66.70 65.19 1p44 h VAL 238 Cb 0.47 3.16 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1p44 h VAL 238 CO 0.02 0.57 -0.31 0.00 0.02 0.00 0.00 177.57 177.87 1p44 h ALA 239 N -0.08 -0.56 -0.99 1.67 0.00 -1.20 -1.53 119.26 116.57 1p44 h ALA 239 Ca -0.08 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.07 1p44 h ALA 239 Cb 1.14 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 19.28 1p44 h ALA 239 CO -0.02 -0.87 0.55 0.87 0.00 0.00 0.00 179.25 179.78 1p44 h LYS 240 N -0.56 0.36 0.00 0.00 1.57 -1.24 0.18 116.57 116.88 1p44 h LYS 240 Ca 0.02 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1p44 h LYS 240 Cb 0.57 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1p44 h LYS 240 CO -0.15 0.24 -0.64 1.15 -0.57 0.00 0.00 179.45 179.47 1p44 h THR 241 N 0.37 1.45 0.00 -0.16 2.02 -1.24 -2.99 112.91 112.36 1p44 h THR 241 Ca 0.70 -2.21 -0.09 0.00 0.77 0.00 0.00 66.41 65.59 1p44 h THR 241 Cb 1.55 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1p44 h THR 241 CO -0.58 0.63 -0.41 0.58 0.37 0.00 0.00 175.52 176.10 1p44 h VAL 242 N 0.00 0.98 -0.18 3.16 2.07 0.13 -3.07 116.25 119.33 1p44 h VAL 242 Ca -0.01 -1.61 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 1p44 h VAL 242 Cb 1.14 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1p44 h VAL 242 CO 0.08 0.40 -0.62 0.00 0.02 0.00 0.00 177.57 177.46 1p44 h ALA 244 N 0.57 0.14 -0.91 0.00 0.00 -1.46 0.24 119.26 117.85 1p44 h ALA 244 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1p44 h ALA 244 Cb 1.24 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1p44 h ALA 244 CO 0.13 -0.47 0.58 -0.07 0.00 0.00 0.00 179.25 179.43 1p44 h LEU 245 N 0.01 0.96 0.00 0.00 -0.00 -1.54 0.24 115.31 114.98 1p44 h LEU 245 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1p44 h LEU 245 Cb 0.15 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1p44 h LEU 245 CO -0.21 0.65 0.00 0.18 -0.00 0.00 0.00 178.44 179.06 1p44 n LEU 246 N -4.53 0.00 0.00 1.67 4.77 -0.55 -4.78 117.00 113.58 1p44 n LEU 246 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1p44 n LEU 246 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1p44 n LEU 246 CO 0.34 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.86 1p44 n SER 247 N -0.98 0.00 -0.29 -1.43 3.41 0.84 -4.85 113.62 110.32 1p44 n SER 247 Ca 0.20 -0.47 0.11 0.00 -0.26 0.00 0.00 58.87 58.46 1p44 n SER 247 Cb 0.09 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.40 1.46 -0.17 4.04 9.92 -1.26 -4.55 116.55 124.59 1p44 n ASP 248 Ca 0.00 -1.17 0.14 0.00 -0.53 0.00 0.00 54.79 53.24 1p44 n ASP 248 Cb 0.00 0.52 0.61 0.00 -0.64 0.00 0.00 41.12 41.61 1p44 n ASP 248 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1p44 n TRP 249 N -0.62 0.00 -3.02 1.24 7.02 -1.26 -3.89 117.44 116.91 1p44 n TRP 249 Ca 0.08 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.33 1p44 n TRP 249 Cb 0.40 -0.13 -0.04 0.00 -2.42 0.00 0.00 31.31 29.13 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 -0.77 3.19 0.15 -0.99 4.77 -1.26 -4.90 117.00 117.19 1p44 n LEU 250 Ca 0.16 -5.43 0.13 0.00 -0.03 0.00 0.00 56.01 50.84 1p44 n LEU 250 Cb 0.28 -0.10 0.45 0.00 -2.33 0.00 0.00 43.42 41.71 1p44 n LEU 250 CO 0.22 2.33 0.88 1.55 -1.33 0.00 0.00 177.39 181.04 1p44 h PRO 251 N 2.98 0.00 -0.41 3.23 0.13 -1.88 -3.31 132.00 132.75 1p44 h PRO 251 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1p44 h PRO 251 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1p44 h PRO 251 CO 0.71 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.48 1p44 n ALA 252 N -1.85 3.43 -3.66 -0.56 0.00 -1.26 -4.95 120.51 111.66 1p44 n ALA 252 Ca 0.03 -2.17 -0.27 0.00 0.00 0.00 0.00 53.44 51.03 1p44 n ALA 252 Cb 0.35 -0.90 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 1p44 n ALA 252 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p44 s THR 253 N -2.82 1.30 0.09 0.00 -4.23 -1.25 -5.13 115.64 103.60 1p44 s THR 253 Ca 0.48 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 1p44 s THR 253 Cb 0.38 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1p44 s THR 253 CO 0.12 0.40 0.16 -0.89 -0.54 0.00 0.00 174.62 173.87 1p44 s THR 254 N 1.05 0.15 -1.74 3.99 2.01 -1.26 -4.63 115.64 115.20 1p44 s THR 254 Ca -0.06 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1p44 s THR 254 Cb -0.15 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1p44 s THR 254 CO -0.02 -0.66 0.00 0.61 -0.69 0.00 0.00 174.62 173.86 1p44 n GLY 255 N -0.05 1.48 3.89 4.40 0.00 0.34 -4.92 105.19 110.33 1p44 n GLY 255 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.38 4.59 -0.10 1.61 -1.08 -1.24 -4.62 116.67 113.45 1p44 s ASP 256 Ca 0.00 -1.27 -0.00 0.00 -0.52 0.00 0.00 52.55 50.75 1p44 s ASP 256 Cb 0.00 0.39 0.02 0.00 -1.46 0.00 0.00 42.92 41.88 1p44 s ASP 256 CO 0.00 -1.06 -0.06 -0.63 0.52 0.00 0.00 175.17 173.94 1p44 s ILE 257 N -2.77 0.87 0.05 4.11 1.01 -1.26 -2.34 121.20 120.86 1p44 s ILE 257 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1p44 s ILE 257 Cb -0.02 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1p44 s ILE 257 CO 0.20 0.34 0.16 -0.63 0.00 0.00 0.00 174.94 175.00 1p44 s ILE 258 N 1.69 5.10 -0.14 2.92 1.01 -0.36 -4.98 121.20 126.44 1p44 s ILE 258 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1p44 s ILE 258 Cb -0.13 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1p44 s ILE 258 CO -0.07 0.18 -0.08 -0.31 0.00 0.00 0.00 174.94 174.67 1p44 s TYR 259 N -1.42 2.93 -0.57 3.97 1.51 -1.26 -0.77 117.35 121.74 1p44 s TYR 259 Ca 0.31 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.04 1p44 s TYR 259 Cb -0.13 -1.89 0.25 0.00 -0.11 0.00 0.00 41.96 40.09 1p44 s TYR 259 CO 0.24 -0.06 0.69 0.00 -1.11 0.00 0.00 175.55 175.30 1p44 n ALA 260 N 3.39 3.62 -1.71 3.71 0.00 0.27 -4.80 120.51 124.98 1p44 n ALA 260 Ca -0.18 -4.39 0.01 0.00 0.00 0.00 0.00 53.44 48.88 1p44 n ALA 260 Cb 0.53 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 0.98 0.25 -2.49 0.00 3.85 -1.26 -1.55 116.55 116.33 1p44 n ASP 261 Ca 0.28 -1.92 -0.14 0.00 -0.71 0.00 0.00 54.79 52.29 1p44 n ASP 261 Cb 0.44 -0.18 0.05 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.14 -0.01 4.16 6.12 0.00 -1.26 -3.28 105.19 110.78 1p44 n GLY 262 Ca 0.01 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.38 -0.46 0.12 -0.02 0.00 -1.26 -3.08 105.19 99.11 1p44 n GLY 263 Ca -0.04 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1p44 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 h ALA 264 N 0.93 0.00 0.00 4.61 0.00 -1.83 -3.25 119.26 119.73 1p44 h ALA 264 Ca -0.59 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.44 1p44 h ALA 264 Cb 1.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1p44 h ALA 264 CO 0.76 0.87 0.00 -2.39 0.00 0.00 0.00 179.25 178.50 1p44 n HIS 265 N -3.60 0.00 0.91 0.00 1.44 -1.26 -2.17 115.22 110.54 1p44 n HIS 265 Ca -0.12 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.69 1p44 n HIS 265 Cb 1.06 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 31.12 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 -1.05 0.00 -5.10 0.61 -2.24 -1.23 -4.92 114.28 100.36 1p44 n THR 266 Ca 0.10 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1p44 n THR 266 Cb 0.06 1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.27 2.62 -0.12 -0.78 -1.52 -0.92 -5.04 119.66 111.63 1p44 s GLN 267 Ca 0.18 -0.82 -0.05 0.00 -1.95 0.00 0.00 55.36 52.71 1p44 s GLN 267 Cb 0.17 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.66 1p44 s GLN 267 CO 0.50 0.44 -0.09 1.25 -0.25 0.00 0.00 175.29 177.14 1p44 h LEU 268 N 5.90 0.00 -1.11 2.90 6.46 -1.91 -3.49 115.31 124.06 1p44 h LEU 268 Ca -0.36 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1p44 h LEU 268 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1p44 h LEU 268 CO 0.49 0.65 0.00 0.18 -0.62 0.00 0.00 178.44 179.14