#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 -1.02 0.07 3.38 0.00 -1.25 -2.75 105.19 103.63 1p44 n GLY 3 Ca 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 44.03 1p44 n GLY 3 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1p44 n LEU 4 N 0.00 0.62 -0.78 0.99 -0.00 -0.79 -4.52 117.00 112.52 1p44 n LEU 4 Ca 0.00 -0.61 0.05 0.00 -0.00 0.00 0.00 56.01 55.45 1p44 n LEU 4 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 1p44 n LEU 4 CO 0.00 0.14 0.28 0.18 -0.00 0.00 0.00 177.39 177.98 1p44 n LEU 5 N -0.81 1.51 -4.70 -1.96 7.99 -0.16 -4.76 117.00 114.11 1p44 n LEU 5 Ca 0.02 -2.51 -0.42 0.00 -0.01 0.00 0.00 56.01 53.09 1p44 n LEU 5 Cb 0.13 -0.23 -0.03 0.00 -0.11 0.00 0.00 43.42 43.18 1p44 n LEU 5 CO 0.12 0.74 1.32 -0.62 -1.51 0.00 0.00 177.39 177.44 1p44 s ASP 6 N -2.29 6.55 0.00 -1.43 2.15 -0.79 -2.19 116.67 118.67 1p44 s ASP 6 Ca 0.27 2.61 0.00 0.00 0.43 0.00 0.00 52.55 55.87 1p44 s ASP 6 Cb 0.28 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1p44 s ASP 6 CO -0.07 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 1p44 n GLY 7 N 3.95 1.01 3.77 2.66 0.00 -1.09 -4.99 105.19 110.52 1p44 n GLY 7 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.59 4.37 -0.32 1.61 -0.14 -0.93 -4.95 119.74 118.79 1p44 s LYS 8 Ca 0.00 0.88 -0.10 0.00 -1.36 0.00 0.00 55.97 55.39 1p44 s LYS 8 Cb 0.00 -3.30 -0.01 0.00 -1.68 0.00 0.00 37.83 32.84 1p44 s LYS 8 CO 0.00 0.46 0.17 1.03 -0.76 0.00 0.00 175.35 176.25 1p44 s ARG 9 N -0.59 3.32 -0.06 1.68 1.81 -1.26 -0.97 118.95 122.88 1p44 s ARG 9 Ca 0.33 -0.73 0.05 0.00 -1.72 0.00 0.00 55.73 53.65 1p44 s ARG 9 Cb -0.20 -3.61 -0.00 0.00 -0.45 0.00 0.00 34.95 30.69 1p44 s ARG 9 CO 0.21 -0.44 -0.21 0.42 -0.68 0.00 0.00 175.30 174.59 1p44 s ILE 10 N 1.62 1.77 -0.18 1.52 1.01 -0.58 -0.87 121.20 125.49 1p44 s ILE 10 Ca 0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1p44 s ILE 10 Cb -0.17 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1p44 s ILE 10 CO 0.07 0.50 0.34 -0.22 0.00 0.00 0.00 174.94 175.63 1p44 s LEU 11 N 0.03 4.20 -0.10 2.97 0.20 0.60 -1.26 118.68 125.33 1p44 s LEU 11 Ca -0.07 0.52 0.03 0.00 0.69 0.00 0.00 54.13 55.30 1p44 s LEU 11 Cb -0.14 -2.44 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1p44 s LEU 11 CO 0.04 0.02 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.21 1p44 s VAL 12 N 0.85 1.89 0.27 1.68 1.01 -0.65 -0.47 120.40 124.99 1p44 s VAL 12 Ca 0.18 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.36 1p44 s VAL 12 Cb -0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1p44 s VAL 12 CO 0.06 0.52 -0.15 -0.94 0.00 0.00 0.00 175.10 174.59 1p44 s SER 13 N 0.53 3.81 0.00 3.32 1.04 -0.83 -2.54 113.70 119.04 1p44 s SER 13 Ca -0.15 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1p44 s SER 13 Cb -0.17 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1p44 s SER 13 CO 0.05 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1p44 n GLY 14 N -0.67 1.15 3.60 7.32 0.00 -1.26 -3.22 105.19 112.12 1p44 n GLY 14 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 5.20 0.00 -0.61 1.01 -1.26 -4.55 121.20 118.98 1p44 s ILE 15 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1p44 s ILE 15 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1p44 s ILE 15 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.11 1p44 n ILE 16 N 5.09 0.00 -3.71 2.92 0.13 -1.26 -4.74 119.36 117.78 1p44 n ILE 16 Ca -0.09 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.42 1p44 n ILE 16 Cb 0.51 -0.45 -0.08 0.00 -0.84 0.00 0.00 39.64 38.78 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 -1.82 0.05 -1.46 9.51 -4.23 -1.26 -4.89 115.64 111.54 1p44 s THR 17 Ca 0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1p44 s THR 17 Cb 0.00 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1p44 s THR 17 CO 0.00 -0.22 0.27 -0.90 -0.54 0.00 0.00 174.62 173.23 1p44 n ASP 18 N 1.13 0.00 -0.34 3.99 5.68 -1.26 0.54 116.55 126.30 1p44 n ASP 18 Ca -0.21 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.16 1p44 n ASP 18 Cb 0.57 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 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 -0.74 1.56 -4.73 -1.12 2.88 -1.26 -4.90 113.62 105.32 1p44 n SER 19 Ca 0.00 -1.28 -0.42 0.00 -1.33 0.00 0.00 58.87 55.84 1p44 n SER 19 Cb 0.00 0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1p44 n SER 19 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1p44 s SER 20 N -2.00 6.70 0.58 -3.46 0.01 0.19 -4.86 113.70 110.85 1p44 s SER 20 Ca 0.13 2.54 0.29 0.00 1.31 0.00 0.00 55.95 60.22 1p44 s SER 20 Cb 0.13 -2.60 1.47 0.00 0.21 0.00 0.00 66.02 65.23 1p44 s SER 20 CO 0.44 -0.71 1.91 0.40 0.41 0.00 0.00 173.24 175.69 1p44 h ILE 21 N 3.89 0.43 0.00 1.44 2.04 -1.89 0.89 117.51 124.31 1p44 h ILE 21 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1p44 h ILE 21 Cb 1.21 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1p44 h ILE 21 CO 0.84 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1p44 h ALA 22 N 1.51 1.00 0.00 1.87 0.00 -1.87 -2.78 119.26 118.99 1p44 h ALA 22 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 1p44 h ALA 22 Cb 1.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1p44 h ALA 22 CO -0.00 0.00 -1.50 0.35 0.00 0.00 0.00 179.25 178.09 1p44 h PHE 23 N 0.00 0.00 0.00 0.00 3.04 0.50 -2.89 116.94 117.59 1p44 h PHE 23 Ca 0.00 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 1p44 h PHE 23 Cb 0.51 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1p44 h PHE 23 CO 0.00 0.82 -0.67 0.45 -2.02 0.00 0.00 178.31 176.90 1p44 h HIS 24 N 0.00 0.00 -0.03 0.41 3.86 -1.46 -0.80 115.15 117.13 1p44 h HIS 24 Ca -0.21 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.78 1p44 h HIS 24 Cb 1.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.29 1p44 h HIS 24 CO 0.00 0.63 -0.89 0.82 0.86 0.00 0.00 177.93 179.35 1p44 h ILE 25 N 0.00 1.37 -0.15 2.45 2.04 -1.60 -1.88 117.51 119.74 1p44 h ILE 25 Ca -0.01 -2.30 -0.19 0.00 1.00 0.00 0.00 64.86 63.35 1p44 h ILE 25 Cb 1.49 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1p44 h ILE 25 CO 0.08 0.70 -0.68 0.00 0.00 0.00 0.00 178.15 178.25 1p44 h ALA 26 N 0.72 0.52 0.71 1.87 0.00 -1.46 -1.35 119.26 120.26 1p44 h ALA 26 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1p44 h ALA 26 Cb 1.52 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1p44 h ALA 26 CO 0.16 0.71 -0.34 -0.09 0.00 0.00 0.00 179.25 179.69 1p44 h ARG 27 N 0.44 -0.92 -0.85 0.00 1.12 -1.11 -2.57 114.38 110.49 1p44 h ARG 27 Ca -0.02 0.06 0.10 0.00 -1.11 0.00 0.00 59.98 59.01 1p44 h ARG 27 Cb 1.27 0.21 -0.06 0.00 -0.01 0.00 0.00 29.97 31.37 1p44 h ARG 27 CO 0.13 -0.61 0.55 0.28 -3.11 0.00 0.00 179.97 177.21 1p44 h VAL 28 N -1.03 0.94 0.14 0.20 2.07 -1.42 -2.10 116.25 115.06 1p44 h VAL 28 Ca -0.10 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1p44 h VAL 28 Cb 0.73 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1p44 h VAL 28 CO 0.16 0.15 -0.25 0.00 0.02 0.00 0.00 177.57 177.65 1p44 h ALA 29 N 1.58 -0.44 0.00 1.67 0.00 -1.15 0.04 119.26 120.95 1p44 h ALA 29 Ca 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1p44 h ALA 29 Cb 0.46 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1p44 h ALA 29 CO -0.17 -0.79 -0.06 1.96 0.00 0.00 0.00 179.25 180.19 1p44 h GLN 30 N -0.47 0.00 -0.66 0.00 4.20 -1.01 -0.49 115.11 116.68 1p44 h GLN 30 Ca 0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1p44 h GLN 30 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1p44 h GLN 30 CO -0.13 0.06 0.16 0.93 -0.67 0.00 0.00 178.83 179.19 1p44 h GLU 31 N 0.00 1.04 -0.50 1.46 5.08 -0.57 -1.99 114.58 119.10 1p44 h GLU 31 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1p44 h GLU 31 Cb 0.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1p44 h GLU 31 CO 0.01 0.92 0.00 1.04 -1.00 0.00 0.00 179.01 179.97 1p44 n GLN 32 N -4.24 1.68 -1.91 2.33 1.13 -0.12 -4.68 117.38 111.57 1p44 n GLN 32 Ca 0.05 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 1p44 n GLN 32 Cb 0.25 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 0.52 0.40 3.91 1.08 0.00 -0.75 -0.99 105.19 109.36 1p44 n GLY 33 Ca 0.07 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.71 -0.39 4.61 0.00 -0.69 -2.65 121.76 124.34 1p44 s ALA 34 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1p44 s ALA 34 Cb 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 23.12 21.02 1p44 s ALA 34 CO 0.00 0.39 0.19 -0.65 0.00 0.00 0.00 175.76 175.69 1p44 s GLN 35 N -3.28 2.38 0.65 0.00 -1.52 -0.14 -4.31 119.66 113.44 1p44 s GLN 35 Ca 0.42 -1.53 -0.07 0.00 -1.95 0.00 0.00 55.36 52.23 1p44 s GLN 35 Cb -0.11 -3.59 0.03 0.00 -0.22 0.00 0.00 33.01 29.11 1p44 s GLN 35 CO 0.28 -0.92 0.98 -0.51 -0.25 0.00 0.00 175.29 174.87 1p44 s LEU 36 N 1.30 3.04 -0.16 2.90 1.43 -1.26 -1.53 118.68 124.40 1p44 s LEU 36 Ca 0.03 0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 1p44 s LEU 36 Cb -0.22 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.59 1p44 s LEU 36 CO -0.01 -1.29 0.22 -0.69 0.23 0.00 0.00 176.35 174.82 1p44 s VAL 37 N -3.15 -0.34 0.10 -1.59 1.01 -0.39 -4.42 120.40 111.63 1p44 s VAL 37 Ca 0.57 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1p44 s VAL 37 Cb -0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1p44 s VAL 37 CO 0.46 -0.04 0.16 -0.76 0.00 0.00 0.00 175.10 174.92 1p44 s LEU 38 N 2.34 4.03 0.03 3.92 1.43 0.01 -1.64 118.68 128.81 1p44 s LEU 38 Ca 0.05 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1p44 s LEU 38 Cb -0.14 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 1p44 s LEU 38 CO -0.10 0.13 -0.18 0.42 0.23 0.00 0.00 176.35 176.85 1p44 s THR 39 N -1.55 1.43 0.28 5.49 -4.23 -1.05 0.14 115.64 116.15 1p44 s THR 39 Ca 0.32 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1p44 s THR 39 Cb -0.12 -1.24 -0.06 0.00 1.34 0.00 0.00 72.50 72.42 1p44 s THR 39 CO 0.25 0.21 0.07 -0.83 -0.54 0.00 0.00 174.62 173.78 1p44 s GLY 40 N -0.94 1.86 0.00 3.99 0.00 -0.47 -3.99 107.32 107.78 1p44 s GLY 40 Ca 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1p44 s GLY 40 CO 0.01 -1.70 0.00 0.33 0.00 0.00 0.00 173.10 171.74 1p44 n PHE 41 N -0.55 0.00 1.12 1.90 7.35 -1.26 -1.78 117.46 124.24 1p44 n PHE 41 Ca -0.01 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.80 1p44 n PHE 41 Cb 0.66 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.67 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 1.91 -2.30 -2.13 3.85 -1.26 -4.02 116.55 112.60 1p44 n ASP 42 Ca 0.00 -1.46 -0.33 0.00 -0.71 0.00 0.00 54.79 52.29 1p44 n ASP 42 Cb 0.00 0.24 0.09 0.00 -1.35 0.00 0.00 41.12 40.10 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 0.12 2.60 -0.33 0.11 1.74 -1.26 -4.78 116.66 114.87 1p44 n ARG 43 Ca 0.12 -3.20 0.22 0.00 -0.77 0.00 0.00 57.85 54.22 1p44 n ARG 43 Cb 0.45 -2.26 0.43 0.00 -1.02 0.00 0.00 32.46 30.06 1p44 n ARG 43 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1p44 h LEU 44 N 1.86 -0.05 0.14 0.55 7.12 -1.93 0.29 115.31 123.30 1p44 h LEU 44 Ca 0.61 0.26 -0.29 0.00 0.13 0.00 0.00 57.88 58.59 1p44 h LEU 44 Cb 1.13 0.36 0.01 0.00 -0.53 0.00 0.00 40.66 41.62 1p44 h LEU 44 CO 1.50 -0.36 -1.31 -0.09 -0.13 0.00 0.00 178.44 178.05 1p44 h ARG 45 N 0.04 0.30 0.00 1.25 1.12 -1.95 -2.66 114.38 112.48 1p44 h ARG 45 Ca 0.71 -0.52 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 1p44 h ARG 45 Cb 1.67 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 31.82 1p44 h ARG 45 CO -0.82 1.23 0.00 -0.11 -3.11 0.00 0.00 179.97 177.17 1p44 n LEU 46 N -3.54 0.00 -0.11 3.80 0.00 0.55 -2.91 117.00 114.78 1p44 n LEU 46 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 55.75 1p44 n LEU 46 Cb 1.04 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 44.36 1p44 n LEU 46 CO 0.54 0.00 -1.22 -0.38 0.00 0.00 0.00 177.39 176.34 1p44 n ILE 47 N -0.87 1.25 0.24 1.96 5.41 0.72 -4.42 119.36 123.65 1p44 n ILE 47 Ca 0.16 -0.47 0.18 0.00 1.00 0.00 0.00 62.75 63.62 1p44 n ILE 47 Cb 0.07 -1.30 0.87 0.00 -0.71 0.00 0.00 39.64 38.57 1p44 n ILE 47 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1p44 h GLN 48 N -0.04 0.00 0.09 0.38 4.15 -1.35 -1.34 115.11 117.00 1p44 h GLN 48 Ca -0.49 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 58.65 1p44 h GLN 48 Cb 1.74 0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.45 1p44 h GLN 48 CO -0.09 0.00 -1.17 -0.09 -1.93 0.00 0.00 178.83 175.55 1p44 h ARG 49 N 0.00 0.53 -0.02 1.69 1.12 -1.77 -3.23 114.38 112.70 1p44 h ARG 49 Ca 0.07 -0.68 -0.19 0.00 -1.11 0.00 0.00 59.98 58.06 1p44 h ARG 49 Cb 0.56 0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 1p44 h ARG 49 CO -0.00 1.29 -0.83 0.82 -3.11 0.00 0.00 179.97 178.14 1p44 h ILE 50 N 0.24 1.44 0.00 1.20 2.04 -1.49 -2.69 117.51 118.25 1p44 h ILE 50 Ca -0.15 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1p44 h ILE 50 Cb 1.84 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 1p44 h ILE 50 CO 0.21 0.71 0.00 0.35 0.00 0.00 0.00 178.15 179.43 1p44 n THR 51 N -3.74 0.12 0.07 -0.27 -2.24 -0.78 -0.64 114.28 106.81 1p44 n THR 51 Ca -0.04 0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1p44 n THR 51 Cb 0.77 -0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 1p44 n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1p44 h ASP 52 N 0.00 0.00 0.23 3.42 3.32 -1.49 -3.10 116.42 118.80 1p44 h ASP 52 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1p44 h ASP 52 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1p44 h ASP 52 CO 0.00 0.85 -0.09 0.03 -1.72 0.00 0.00 179.24 178.31 1p44 h ARG 53 N 0.00 0.00 -6.56 3.56 3.08 -1.03 -3.43 114.38 109.99 1p44 h ARG 53 Ca -0.04 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.45 1p44 h ARG 53 Cb 1.68 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.79 1p44 h ARG 53 CO 0.10 0.09 0.89 1.28 -1.07 0.00 0.00 179.97 181.26 1p44 n LEU 54 N -3.81 3.46 -0.41 3.04 4.77 -1.17 -4.83 117.00 118.05 1p44 n LEU 54 Ca -0.02 1.07 0.35 0.00 -0.03 0.00 0.00 56.01 57.38 1p44 n LEU 54 Cb 0.19 -1.49 0.62 0.00 -2.33 0.00 0.00 43.42 40.41 1p44 n LEU 54 CO 0.30 -0.10 1.18 1.55 -1.33 0.00 0.00 177.39 179.00 1p44 h PRO 55 N 6.29 0.09 -5.57 3.23 0.13 -1.89 -3.42 132.00 130.85 1p44 h PRO 55 Ca -0.44 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 1p44 h PRO 55 Cb 1.23 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1p44 h PRO 55 CO 0.92 0.06 -0.53 0.00 -0.23 0.00 0.00 178.00 178.21 1p44 s ALA 56 N -5.39 3.65 -0.16 -0.56 0.00 -1.26 -5.11 121.76 112.93 1p44 s ALA 56 Ca -0.08 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.10 1p44 s ALA 56 Cb 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1p44 s ALA 56 CO 0.81 -0.12 0.68 0.15 0.00 0.00 0.00 175.76 177.28 1p44 s LYS 57 N -3.84 4.28 -0.02 0.00 1.02 -1.26 -4.94 119.74 114.97 1p44 s LYS 57 Ca 0.26 0.74 0.00 0.00 0.02 0.00 0.00 55.97 57.00 1p44 s LYS 57 Cb 0.05 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1p44 s LYS 57 CO 0.14 -0.18 0.00 0.00 -0.92 0.00 0.00 175.35 174.39 1p44 s ALA 58 N 1.70 0.22 0.08 5.17 0.00 -1.26 -4.88 121.76 122.78 1p44 s ALA 58 Ca 0.32 0.12 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 1p44 s ALA 58 Cb -0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.67 1p44 s ALA 58 CO 0.12 -0.04 1.33 -1.25 0.00 0.00 0.00 175.76 175.91 1p44 s PRO 59 N 0.70 4.35 -0.56 0.00 0.04 -1.26 -4.78 135.00 133.49 1p44 s PRO 59 Ca -0.07 1.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 1p44 s PRO 59 Cb -0.10 -3.33 0.14 0.00 0.04 0.00 0.00 34.50 31.25 1p44 s PRO 59 CO -0.01 -0.40 0.49 -1.17 0.04 0.00 0.00 177.00 175.95 1p44 s LEU 60 N 1.29 6.13 0.41 -3.56 2.96 -1.26 -0.81 118.68 123.84 1p44 s LEU 60 Ca 0.62 -1.94 -0.12 0.00 -0.22 0.00 0.00 54.13 52.48 1p44 s LEU 60 Cb -0.33 -2.16 -0.07 0.00 0.50 0.00 0.00 46.19 44.13 1p44 s LEU 60 CO 0.29 -0.78 0.80 -0.76 -1.32 0.00 0.00 176.35 174.58 1p44 s LEU 61 N 1.36 3.83 0.01 -0.68 1.43 0.37 -4.86 118.68 120.14 1p44 s LEU 61 Ca 0.05 1.23 -0.16 0.00 -1.03 0.00 0.00 54.13 54.23 1p44 s LEU 61 Cb -0.27 -4.11 -0.06 0.00 0.03 0.00 0.00 46.19 41.78 1p44 s LEU 61 CO 0.01 -0.40 0.44 -0.70 0.23 0.00 0.00 176.35 175.92 1p44 s GLU 62 N -3.75 3.98 -0.22 1.70 2.12 -1.26 -1.37 118.70 119.89 1p44 s GLU 62 Ca 0.53 0.47 -0.12 0.00 0.36 0.00 0.00 54.97 56.21 1p44 s GLU 62 Cb -0.10 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 31.13 1p44 s GLU 62 CO 0.29 0.66 0.54 -1.17 -0.54 0.00 0.00 175.26 175.04 1p44 s LEU 63 N -1.02 -0.52 -0.29 2.70 2.96 -0.73 -4.86 118.68 116.92 1p44 s LEU 63 Ca 0.25 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.36 1p44 s LEU 63 Cb -0.17 1.82 0.08 0.00 0.50 0.00 0.00 46.19 48.42 1p44 s LEU 63 CO 0.14 -0.22 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.32 1p44 s ASP 64 N 1.61 4.35 0.00 3.68 3.68 -1.26 -4.27 116.67 124.46 1p44 s ASP 64 Ca -0.09 -1.63 0.00 0.00 2.13 0.00 0.00 52.55 52.95 1p44 s ASP 64 Cb -0.07 -1.39 0.00 0.00 -1.45 0.00 0.00 42.92 40.00 1p44 s ASP 64 CO -0.16 -0.30 0.58 1.33 0.13 0.00 0.00 175.17 176.76 1p44 n VAL 65 N 4.48 0.66 -0.01 1.11 0.24 -1.26 0.78 118.33 124.33 1p44 n VAL 65 Ca -0.06 0.34 0.09 0.00 -2.04 0.00 0.00 64.34 62.68 1p44 n VAL 65 Cb 0.43 -1.34 -0.15 0.00 -1.47 0.00 0.00 33.84 31.30 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 -1.08 0.60 -2.73 7.34 6.02 -1.26 -4.82 117.38 121.44 1p44 n GLN 66 Ca 0.00 -0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.40 1p44 n GLN 66 Cb 0.18 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 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 -4.24 6.36 0.48 1.08 3.04 0.23 -4.88 114.94 117.01 1p44 s ASN 67 Ca -0.07 -0.22 0.22 0.00 0.04 0.00 0.00 52.86 52.83 1p44 s ASN 67 Cb 0.12 -2.48 1.25 0.00 -1.54 0.00 0.00 41.25 38.59 1p44 s ASN 67 CO 0.80 -1.36 1.94 -0.08 -3.04 0.00 0.00 177.10 175.36 1p44 h GLU 68 N 9.44 0.19 -0.12 0.43 4.57 -1.88 -1.72 114.58 125.50 1p44 h GLU 68 Ca -0.26 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 57.78 1p44 h GLU 68 Cb 1.07 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1p44 h GLU 68 CO 1.14 0.13 -0.50 0.93 -1.18 0.00 0.00 179.01 179.52 1p44 h GLU 69 N 0.20 0.31 -0.67 1.92 5.08 -1.93 0.02 114.58 119.50 1p44 h GLU 69 Ca 0.34 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1p44 h GLU 69 Cb 1.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1p44 h GLU 69 CO -0.06 0.74 0.36 0.45 -1.00 0.00 0.00 179.01 179.50 1p44 h HIS 70 N 0.25 0.90 0.36 4.33 3.86 -1.62 -2.43 115.15 120.80 1p44 h HIS 70 Ca 0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1p44 h HIS 70 Cb 0.97 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1p44 h HIS 70 CO 0.02 0.63 -0.17 -0.07 0.86 0.00 0.00 177.93 179.20 1p44 h LEU 71 N 0.93 -0.41 0.00 2.43 4.07 -1.50 -1.32 115.31 119.52 1p44 h LEU 71 Ca 0.24 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1p44 h LEU 71 Cb 0.03 0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1p44 h LEU 71 CO -0.04 0.04 0.08 0.00 -1.08 0.00 0.00 178.44 177.44 1p44 n ALA 72 N -2.64 0.52 -0.26 1.53 0.00 -0.03 0.12 120.51 119.76 1p44 n ALA 72 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1p44 n ALA 72 Cb 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1p44 n ALA 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p44 n SER 73 N -0.81 0.11 -0.25 0.00 3.41 -0.94 -4.94 113.62 110.20 1p44 n SER 73 Ca 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.07 1p44 n SER 73 Cb 0.08 0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.00 -1.44 0.30 1.04 6.46 0.22 0.90 115.31 122.79 1p44 h LEU 74 Ca 0.00 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1p44 h LEU 74 Cb 0.13 0.63 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 1p44 h LEU 74 CO 0.00 -0.18 -0.18 0.00 -0.62 0.00 0.00 178.44 177.46 1p44 h ALA 75 N -0.08 -0.45 -0.95 1.25 0.00 -1.79 0.27 119.26 117.52 1p44 h ALA 75 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1p44 h ALA 75 Cb 0.31 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1p44 h ALA 75 CO -0.59 -0.76 0.59 0.78 0.00 0.00 0.00 179.25 179.27 1p44 h GLY 76 N -0.46 1.36 1.06 0.00 0.00 -1.92 0.99 103.07 104.11 1p44 h GLY 76 Ca -0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1p44 h GLY 76 CO 0.04 0.53 0.23 -0.09 0.00 0.00 0.00 176.54 177.25 1p44 h ARG 77 N 1.30 1.15 -0.08 4.80 2.43 -0.56 -2.60 114.38 120.82 1p44 h ARG 77 Ca 0.34 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1p44 h ARG 77 Cb -0.09 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1p44 h ARG 77 CO -0.07 0.98 -0.17 0.28 -1.51 0.00 0.00 179.97 179.49 1p44 h VAL 78 N 1.10 1.40 -0.94 0.20 2.07 0.63 -2.82 116.25 117.89 1p44 h VAL 78 Ca 0.24 -1.46 0.24 0.00 0.82 0.00 0.00 66.70 66.54 1p44 h VAL 78 Cb 0.31 2.15 -0.13 0.00 -1.52 0.00 0.00 31.29 32.11 1p44 h VAL 78 CO -0.01 0.41 0.47 0.74 0.02 0.00 0.00 177.57 179.21 1p44 h THR 79 N -0.20 0.48 0.00 2.57 2.02 0.12 0.50 112.91 118.39 1p44 h THR 79 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1p44 h THR 79 Cb 0.75 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1p44 h THR 79 CO 0.04 0.08 -0.16 1.05 0.37 0.00 0.00 175.52 176.90 1p44 h GLU 80 N 0.45 0.00 -0.15 6.66 -0.00 -1.52 0.29 114.58 120.32 1p44 h GLU 80 Ca 0.60 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.80 1p44 h GLU 80 Cb 1.17 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.92 1p44 h GLU 80 CO -0.52 0.00 -0.52 0.00 -0.00 0.00 0.00 179.01 177.97 1p44 h ALA 81 N 2.10 0.27 0.00 1.06 0.00 0.19 -3.37 119.26 119.50 1p44 h ALA 81 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1p44 h ALA 81 Cb 0.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1p44 h ALA 81 CO 0.00 0.46 -0.64 -0.84 0.00 0.00 0.00 179.25 178.23 1p44 h ILE 82 N 0.28 0.29 0.00 0.00 3.07 -1.16 -3.48 117.51 116.50 1p44 h ILE 82 Ca -0.02 -1.34 0.00 0.00 1.55 0.00 0.00 64.86 65.05 1p44 h ILE 82 Cb 1.15 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1p44 h ILE 82 CO 0.11 0.10 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 1p44 n GLY 83 N 1.58 3.56 3.63 0.16 0.00 0.98 -5.03 105.19 110.07 1p44 n GLY 83 Ca -0.13 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1p44 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 s ALA 84 N -0.16 3.21 0.00 4.61 0.00 -0.85 -2.28 121.76 126.28 1p44 s ALA 84 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1p44 s ALA 84 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1p44 s ALA 84 CO 0.00 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.10 1p44 n GLY 85 N 4.89 2.96 3.87 0.00 0.00 -1.26 -5.10 105.19 110.54 1p44 n GLY 85 Ca 0.21 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.16 6.57 0.40 1.61 -0.87 -0.97 -5.09 114.94 116.43 1p44 s ASN 86 Ca 0.00 1.23 0.05 0.00 -1.57 0.00 0.00 52.86 52.57 1p44 s ASN 86 Cb 0.00 -2.36 -0.06 0.00 -0.02 0.00 0.00 41.25 38.81 1p44 s ASN 86 CO 0.00 -0.41 0.03 -0.54 -2.57 0.00 0.00 177.10 173.61 1p44 s LYS 87 N -3.78 1.90 0.15 -0.60 1.02 -1.26 -4.83 119.74 112.34 1p44 s LYS 87 Ca 0.53 -2.10 -0.14 0.00 0.02 0.00 0.00 55.97 54.28 1p44 s LYS 87 Cb -0.10 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.82 1p44 s LYS 87 CO 0.30 -0.17 0.55 -0.51 -0.92 0.00 0.00 175.35 174.60 1p44 s LEU 88 N -3.66 4.33 -0.20 3.17 1.43 0.16 -4.64 118.68 119.28 1p44 s LEU 88 Ca 0.30 1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1p44 s LEU 88 Cb 0.08 -3.30 -0.11 0.00 0.03 0.00 0.00 46.19 42.89 1p44 s LEU 88 CO 0.15 0.09 -0.20 0.47 0.23 0.00 0.00 176.35 177.09 1p44 n ASP 89 N 0.74 2.16 -4.09 2.29 8.00 -0.05 -1.03 116.55 124.57 1p44 n ASP 89 Ca -0.05 0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 1p44 n ASP 89 Cb 0.52 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.09 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 -5.71 0.62 -0.06 0.44 0.00 -1.03 0.57 107.32 102.15 1p44 s GLY 90 Ca -0.27 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1p44 s GLY 90 CO 0.42 -0.78 -0.11 0.14 0.00 0.00 0.00 173.10 172.77 1p44 s VAL 91 N -1.07 1.04 -0.19 1.40 1.01 -0.80 -0.29 120.40 121.50 1p44 s VAL 91 Ca -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1p44 s VAL 91 Cb -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1p44 s VAL 91 CO 0.01 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.57 1p44 s VAL 92 N 0.61 2.01 -0.49 2.92 1.01 0.38 -2.05 120.40 124.79 1p44 s VAL 92 Ca -0.12 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 1p44 s VAL 92 Cb -0.15 -1.86 0.10 0.00 0.00 0.00 0.00 36.38 34.48 1p44 s VAL 92 CO 0.03 0.47 0.42 -2.28 0.00 0.00 0.00 175.10 173.74 1p44 s HIS 93 N 1.29 3.28 -0.59 5.22 2.46 -0.70 -1.96 115.29 124.29 1p44 s HIS 93 Ca 0.03 -1.24 0.04 0.00 0.47 0.00 0.00 55.06 54.37 1p44 s HIS 93 Cb -0.14 -3.45 0.35 0.00 -0.13 0.00 0.00 32.58 29.22 1p44 s HIS 93 CO -0.12 -0.92 1.07 0.45 -2.47 0.00 0.00 174.74 172.75 1p44 n SER 94 N 5.16 4.82 -4.29 9.88 2.88 -1.20 -2.24 113.62 128.64 1p44 n SER 94 Ca -0.12 -3.70 -0.30 0.00 -1.33 0.00 0.00 58.87 53.42 1p44 n SER 94 Cb 0.42 -0.60 -0.16 0.00 -0.75 0.00 0.00 64.21 63.12 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 -4.68 1.95 -0.16 2.46 1.01 -1.26 -4.03 121.20 116.49 1p44 s ILE 95 Ca 0.48 -1.12 -0.28 0.00 0.00 0.00 0.00 60.65 59.73 1p44 s ILE 95 Cb 0.30 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 41.22 1p44 s ILE 95 CO -0.15 0.49 0.75 -0.83 0.00 0.00 0.00 174.94 175.20 1p44 s GLY 96 N -0.73 -0.51 -0.04 6.18 0.00 -1.26 -4.68 107.32 106.28 1p44 s GLY 96 Ca 0.10 1.76 -0.30 0.00 0.00 0.00 0.00 44.72 46.27 1p44 s GLY 96 CO -0.00 1.34 0.67 -0.12 0.00 0.00 0.00 173.10 174.99 1p44 s PHE 97 N -0.46 -0.65 -0.29 1.90 5.36 -1.26 -4.95 117.98 117.63 1p44 s PHE 97 Ca -0.05 1.09 -0.17 0.00 -0.96 0.00 0.00 56.93 56.84 1p44 s PHE 97 Cb -0.02 0.41 0.16 0.00 -0.34 0.00 0.00 43.02 43.23 1p44 s PHE 97 CO 0.05 -0.61 1.06 1.41 -1.46 0.00 0.00 175.22 175.66 1p44 s MET 98 N -1.27 0.30 0.54 10.12 -2.45 -1.26 -4.41 119.30 120.87 1p44 s MET 98 Ca -0.11 0.51 -0.18 0.00 -1.25 0.00 0.00 55.69 54.66 1p44 s MET 98 Cb -0.00 0.07 -0.06 0.00 1.25 0.00 0.00 34.83 36.09 1p44 s MET 98 CO 0.09 -0.06 1.05 -1.25 1.05 0.00 0.00 175.02 175.90 1p44 s PRO 99 N 1.17 3.55 0.42 4.11 0.04 -1.26 -4.90 135.00 138.14 1p44 s PRO 99 Ca -0.08 1.28 0.22 0.00 0.04 0.00 0.00 61.00 62.47 1p44 s PRO 99 Cb -0.03 -2.06 1.20 0.00 0.04 0.00 0.00 34.50 33.65 1p44 s PRO 99 CO -0.13 -0.63 1.64 1.96 0.04 0.00 0.00 177.00 179.87 1p44 h GLN 100 N 0.98 0.00 -0.04 4.56 1.08 -2.00 0.70 115.11 120.39 1p44 h GLN 100 Ca -0.48 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.62 1p44 h GLN 100 Cb 1.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1p44 h GLN 100 CO 0.58 0.00 -0.43 0.00 -0.95 0.00 0.00 178.83 178.03 1p44 h THR 101 N 0.00 1.32 -0.23 -0.54 1.03 -1.94 -3.26 112.91 109.29 1p44 h THR 101 Ca 0.00 -1.52 -0.18 0.00 -0.01 0.00 0.00 66.41 64.70 1p44 h THR 101 Cb 0.37 1.76 -0.17 0.00 -1.07 0.00 0.00 68.15 69.05 1p44 h THR 101 CO 0.00 0.44 -0.66 0.61 -0.01 0.00 0.00 175.52 175.90 1p44 n GLY 102 N -0.23 5.04 0.00 2.99 0.00 0.23 -3.97 105.19 109.25 1p44 n GLY 102 Ca -0.02 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.85 0.00 0.00 1.61 0.00 -1.18 -1.95 117.12 114.74 1p44 n MET 103 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.95 1p44 n MET 103 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.03 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 -0.08 0.00 0.02 -5.12 0.00 -1.25 -4.45 105.19 94.30 1p44 n GLY 104 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.25 -1.55 -0.61 3.06 -1.26 -4.60 119.36 114.64 1p44 n ILE 105 Ca 0.00 -0.20 -0.39 0.00 -2.50 0.00 0.00 62.75 59.66 1p44 n ILE 105 Cb 0.00 -0.44 0.03 0.00 0.54 0.00 0.00 39.64 39.77 1p44 n ILE 105 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1p44 n ASN 106 N -2.03 0.21 -4.74 9.51 5.15 -1.25 -4.90 115.26 117.21 1p44 n ASN 106 Ca -0.06 0.86 -0.40 0.00 -0.60 0.00 0.00 54.58 54.38 1p44 n ASN 106 Cb 0.50 -1.29 0.02 0.00 -0.53 0.00 0.00 39.78 38.49 1p44 n ASN 106 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1p44 n PRO 107 N -0.23 2.02 -0.01 1.20 -0.02 -1.26 -4.67 135.00 132.04 1p44 n PRO 107 Ca 0.12 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1p44 n PRO 107 Cb 0.44 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 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 2.02 0.02 0.00 6.00 3.04 -1.90 -2.01 116.94 124.11 1p44 h PHE 108 Ca -0.50 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.46 1p44 h PHE 108 Cb 1.29 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1p44 h PHE 108 CO 0.48 0.00 0.00 1.19 -2.02 0.00 0.00 178.31 177.96 1p44 n PHE 109 N -5.10 0.75 -0.65 0.41 3.72 -1.26 -3.00 117.46 112.33 1p44 n PHE 109 Ca -0.04 0.34 0.09 0.00 -0.05 0.00 0.00 57.45 57.78 1p44 n PHE 109 Cb 0.07 -1.04 0.34 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.22 4.63 -4.55 4.37 10.43 -0.76 -4.89 116.55 123.56 1p44 n ASP 110 Ca 0.01 -2.51 -0.43 0.00 2.57 0.00 0.00 54.79 54.43 1p44 n ASP 110 Cb 0.14 -0.56 -0.05 0.00 1.84 0.00 0.00 41.12 42.49 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 -1.95 3.31 0.49 2.24 0.00 -1.16 -4.92 121.76 119.76 1p44 s ALA 111 Ca 0.49 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 1p44 s ALA 111 Cb 0.32 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1p44 s ALA 111 CO 0.22 -1.87 1.25 -1.25 0.00 0.00 0.00 175.76 174.11 1p44 s PRO 112 N 3.31 3.51 0.30 0.00 0.04 -1.26 -4.83 135.00 136.06 1p44 s PRO 112 Ca 0.31 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1p44 s PRO 112 Cb -0.12 -2.35 0.61 0.00 0.04 0.00 0.00 34.50 32.68 1p44 s PRO 112 CO 0.22 -0.82 1.83 -0.92 0.04 0.00 0.00 177.00 177.36 1p44 h TYR 113 N 1.82 1.09 -1.06 0.56 3.20 -1.99 -2.03 116.97 118.57 1p44 h TYR 113 Ca -0.50 0.03 0.29 0.00 3.14 0.00 0.00 58.73 61.70 1p44 h TYR 113 Cb 1.27 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 1p44 h TYR 113 CO 0.50 0.41 0.74 0.00 -1.64 0.00 0.00 178.16 178.17 1p44 h ALA 114 N 1.56 2.78 0.06 1.82 0.00 -2.00 0.34 119.26 123.83 1p44 h ALA 114 Ca 0.50 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.06 1p44 h ALA 114 Cb 0.57 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1p44 h ALA 114 CO -0.27 -1.11 -1.97 -0.25 0.00 0.00 0.00 179.25 175.65 1p44 n ASP 115 N -4.33 1.52 0.02 0.00 9.92 -0.79 -3.44 116.55 119.45 1p44 n ASP 115 Ca 0.23 0.23 0.04 0.00 -0.53 0.00 0.00 54.79 54.76 1p44 n ASP 115 Cb 1.05 -0.41 0.42 0.00 -0.64 0.00 0.00 41.12 41.54 1p44 n ASP 115 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1p44 h VAL 116 N 0.04 1.11 -0.06 2.53 2.07 -0.91 -2.34 116.25 118.69 1p44 h VAL 116 Ca -0.40 -0.28 -0.19 0.00 0.82 0.00 0.00 66.70 66.65 1p44 h VAL 116 Cb 2.03 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1p44 h VAL 116 CO 0.06 0.12 -0.78 -1.28 0.02 0.00 0.00 177.57 175.72 1p44 h SER 117 N 0.51 0.49 0.31 0.57 0.87 -1.13 -0.89 113.55 114.28 1p44 h SER 117 Ca 0.13 -0.34 -0.12 0.00 -1.23 0.00 0.00 61.79 60.24 1p44 h SER 117 Cb 0.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1p44 h SER 117 CO -0.02 1.10 -0.48 0.50 -0.53 0.00 0.00 176.83 177.39 1p44 h LYS 118 N 0.26 0.20 -0.04 2.24 3.64 -1.51 0.49 116.57 121.85 1p44 h LYS 118 Ca -0.04 -0.11 -0.21 0.00 -1.27 0.00 0.00 60.65 59.02 1p44 h LYS 118 Cb 1.37 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1p44 h LYS 118 CO 0.13 0.64 -0.86 0.78 -2.27 0.00 0.00 179.45 177.88 1p44 h GLY 119 N 1.34 0.52 1.50 5.01 0.00 -1.33 -2.01 103.07 108.09 1p44 h GLY 119 Ca 0.01 -0.83 -0.19 0.00 0.00 0.00 0.00 47.33 46.32 1p44 h GLY 119 CO 0.07 0.73 -0.74 -2.22 0.00 0.00 0.00 176.54 174.38 1p44 h ILE 120 N 0.29 1.36 0.18 2.60 2.04 -0.88 -0.88 117.51 122.22 1p44 h ILE 120 Ca -0.06 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 1p44 h ILE 120 Cb 1.47 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1p44 h ILE 120 CO 0.15 0.64 -0.09 -0.74 0.00 0.00 0.00 178.15 178.11 1p44 h HIS 121 N 0.33 -0.23 0.07 1.37 2.76 0.06 0.11 115.15 119.61 1p44 h HIS 121 Ca -0.04 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.88 1p44 h HIS 121 Cb 1.33 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.35 1p44 h HIS 121 CO 0.05 -0.14 -1.13 0.82 -1.30 0.00 0.00 177.93 176.23 1p44 h ILE 122 N -0.25 1.60 0.05 6.26 2.04 -1.41 -2.50 117.51 123.31 1p44 h ILE 122 Ca -0.02 -3.24 -0.32 0.00 1.00 0.00 0.00 64.86 62.28 1p44 h ILE 122 Cb 0.19 2.90 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 1p44 h ILE 122 CO 0.04 0.93 -1.82 -1.20 0.00 0.00 0.00 178.15 176.11 1p44 n SER 123 N -3.45 1.40 0.00 1.72 7.64 -0.34 -4.49 113.62 116.11 1p44 n SER 123 Ca -0.05 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1p44 n SER 123 Cb 0.99 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.73 0.34 -0.34 -0.43 0.00 0.31 -4.71 120.51 112.94 1p44 n ALA 124 Ca -0.23 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1p44 n ALA 124 Cb 1.05 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.72 1p44 n ALA 124 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1p44 n TYR 125 N -1.68 0.50 0.16 0.00 9.36 -0.81 -0.34 117.16 124.34 1p44 n TYR 125 Ca 0.00 1.18 0.07 0.00 3.32 0.00 0.00 57.90 62.47 1p44 n TYR 125 Cb 0.00 -1.15 0.36 0.00 -0.63 0.00 0.00 39.34 37.92 1p44 n TYR 125 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p44 n SER 126 N -5.51 0.34 0.13 2.98 3.41 -0.94 0.15 113.62 114.17 1p44 n SER 126 Ca 0.20 0.56 -0.01 0.00 -0.26 0.00 0.00 58.87 59.36 1p44 n SER 126 Cb 0.63 -0.52 0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1p44 n SER 126 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1p44 h TYR 127 N 0.00 0.00 0.02 7.33 3.20 -0.97 -2.59 116.97 123.96 1p44 h TYR 127 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1p44 h TYR 127 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1p44 h TYR 127 CO 0.00 0.65 -0.17 0.00 -1.64 0.00 0.00 178.16 177.00 1p44 h ALA 128 N 1.35 -0.00 0.13 1.82 0.00 0.12 -3.19 119.26 119.48 1p44 h ALA 128 Ca -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1p44 h ALA 128 Cb 1.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1p44 h ALA 128 CO 0.08 0.05 -0.13 0.77 0.00 0.00 0.00 179.25 180.02 1p44 h SER 129 N -0.75 -0.36 -0.86 0.00 0.02 -1.54 0.14 113.55 110.19 1p44 h SER 129 Ca -0.03 0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.15 1p44 h SER 129 Cb 1.05 0.12 -0.16 0.00 0.14 0.00 0.00 62.40 63.55 1p44 h SER 129 CO 0.03 -0.17 -0.09 0.24 -1.14 0.00 0.00 176.83 175.70 1p44 h MET 130 N -0.26 0.03 -0.23 3.45 2.07 -1.65 0.81 114.93 119.16 1p44 h MET 130 Ca -0.02 -0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.65 1p44 h MET 130 Cb 0.23 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.91 1p44 h MET 130 CO -0.02 0.02 -0.01 0.00 1.07 0.00 0.00 176.91 177.97 1p44 h ALA 131 N 1.84 0.20 0.09 6.32 0.00 -1.50 0.11 119.26 126.33 1p44 h ALA 131 Ca 0.46 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.45 1p44 h ALA 131 Cb 0.80 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1p44 h ALA 131 CO -0.83 -0.43 -0.20 -0.22 0.00 0.00 0.00 179.25 177.57 1p44 h LYS 132 N 0.06 -0.36 -0.11 0.00 3.64 0.32 -0.87 116.57 119.26 1p44 h LYS 132 Ca 0.11 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1p44 h LYS 132 Cb 0.15 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1p44 h LYS 132 CO -0.20 -0.24 -0.19 0.00 -2.27 0.00 0.00 179.45 176.55 1p44 h ALA 133 N 0.44 -0.15 0.08 5.00 0.00 0.66 -3.32 119.26 121.98 1p44 h ALA 133 Ca 0.03 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.69 1p44 h ALA 133 Cb 0.40 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1p44 h ALA 133 CO -0.12 -0.65 -1.52 -0.07 0.00 0.00 0.00 179.25 176.88 1p44 h LEU 134 N -0.25 0.27 -0.86 0.00 3.38 -0.77 -3.40 115.31 113.69 1p44 h LEU 134 Ca 0.09 -0.40 0.26 0.00 0.09 0.00 0.00 57.88 57.92 1p44 h LEU 134 Cb 0.38 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 40.89 1p44 h LEU 134 CO -0.25 1.33 0.09 -0.11 0.09 0.00 0.00 178.44 179.59 1p44 n LEU 135 N -3.37 -0.03 0.11 1.67 7.94 -0.34 0.85 117.00 123.83 1p44 n LEU 135 Ca -0.15 1.45 0.14 0.00 -1.11 0.00 0.00 56.01 56.34 1p44 n LEU 135 Cb 1.03 -0.56 0.66 0.00 0.53 0.00 0.00 43.42 45.08 1p44 n LEU 135 CO 0.48 -1.50 1.13 -0.65 -1.11 0.00 0.00 177.39 175.75 1p44 h PRO 136 N 0.00 0.02 -0.64 1.96 0.11 -1.76 -2.43 132.00 129.25 1p44 h PRO 136 Ca 0.56 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1p44 h PRO 136 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p44 h PRO 136 CO -0.78 0.01 0.00 0.44 -0.21 0.00 0.00 178.00 177.46 1p44 n ILE 137 N -4.45 1.62 -3.55 4.15 -5.35 0.25 -4.97 119.36 107.05 1p44 n ILE 137 Ca 0.04 -1.17 -0.20 0.00 -0.27 0.00 0.00 62.75 61.15 1p44 n ILE 137 Cb 0.37 0.22 -0.01 0.00 -1.74 0.00 0.00 39.64 38.48 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 -1.64 3.23 0.15 6.28 -1.94 -0.92 -0.66 119.30 123.80 1p44 s MET 138 Ca 0.49 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.67 1p44 s MET 138 Cb 0.30 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 1p44 s MET 138 CO 0.26 0.14 0.24 -0.80 -0.01 0.00 0.00 175.02 174.84 1p44 s ASN 139 N -4.11 6.10 0.28 3.03 0.01 -0.19 -4.80 114.94 115.25 1p44 s ASN 139 Ca 0.42 0.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.36 1p44 s ASN 139 Cb -0.09 -1.78 -0.11 0.00 0.41 0.00 0.00 41.25 39.68 1p44 s ASN 139 CO 0.32 0.07 1.60 -2.16 -1.51 0.00 0.00 177.10 175.41 1p44 s PRO 140 N -3.14 4.13 0.00 -0.60 0.04 -1.26 -0.38 135.00 133.79 1p44 s PRO 140 Ca 0.33 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1p44 s PRO 140 Cb -0.11 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1p44 s PRO 140 CO 0.27 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1p44 n GLY 141 N 2.45 0.58 3.65 0.56 0.00 0.08 -5.01 105.19 107.50 1p44 n GLY 141 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.16 1.58 0.01 -0.02 0.00 0.48 -4.90 107.32 103.32 1p44 s GLY 142 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1p44 s GLY 142 CO 0.00 0.41 -0.04 -0.45 0.00 0.00 0.00 173.10 173.02 1p44 s SER 143 N -3.21 0.47 -0.14 1.64 0.15 0.19 -2.41 113.70 110.40 1p44 s SER 143 Ca 0.65 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 1p44 s SER 143 Cb -0.20 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1p44 s SER 143 CO 0.59 -0.10 -0.05 -0.63 1.20 0.00 0.00 173.24 174.25 1p44 s ILE 144 N -0.71 0.98 -0.05 6.45 1.01 0.22 -1.90 121.20 127.20 1p44 s ILE 144 Ca -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1p44 s ILE 144 Cb -0.05 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1p44 s ILE 144 CO -0.00 0.22 -0.11 0.54 0.00 0.00 0.00 174.94 175.59 1p44 s VAL 145 N 1.71 0.99 0.46 2.92 0.11 -0.87 -0.49 120.40 125.23 1p44 s VAL 145 Ca 0.03 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1p44 s VAL 145 Cb -0.14 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1p44 s VAL 145 CO -0.08 0.32 0.28 -0.83 -3.33 0.00 0.00 175.10 171.46 1p44 s GLY 146 N 0.54 2.36 -0.02 6.54 0.00 -0.70 -1.71 107.32 114.34 1p44 s GLY 146 Ca -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 44.72 42.93 1p44 s GLY 146 CO 0.02 -1.90 0.17 1.06 0.00 0.00 0.00 173.10 172.45 1p44 s MET 147 N -4.07 3.41 0.27 2.90 -1.94 -0.95 -1.10 119.30 117.82 1p44 s MET 147 Ca 0.38 -0.32 -0.06 0.00 -1.71 0.00 0.00 55.69 53.98 1p44 s MET 147 Cb 0.00 -3.09 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 1p44 s MET 147 CO 0.22 0.68 0.39 0.34 -0.01 0.00 0.00 175.02 176.63 1p44 s ASP 148 N -1.87 0.36 -0.26 3.03 3.68 -0.51 -4.83 116.67 116.28 1p44 s ASP 148 Ca 0.26 -1.25 -0.01 0.00 2.13 0.00 0.00 52.55 53.67 1p44 s ASP 148 Cb -0.13 0.56 0.13 0.00 -1.45 0.00 0.00 42.92 42.04 1p44 s ASP 148 CO 0.17 -1.12 0.33 0.12 0.13 0.00 0.00 175.17 174.80 1p44 s PHE 149 N -3.71 -0.64 -0.13 -5.34 2.19 -1.26 -2.13 117.98 106.96 1p44 s PHE 149 Ca 0.30 0.30 -0.10 0.00 0.33 0.00 0.00 56.93 57.75 1p44 s PHE 149 Cb 0.01 -0.24 -0.05 0.00 -1.31 0.00 0.00 43.02 41.44 1p44 s PHE 149 CO 0.14 -0.81 0.51 -3.47 1.83 0.00 0.00 175.22 173.42 1p44 n ASP 150 N 5.34 0.17 -0.86 6.13 4.64 -1.26 -4.81 116.55 125.89 1p44 n ASP 150 Ca -0.03 0.15 0.11 0.00 -1.38 0.00 0.00 54.79 53.65 1p44 n ASP 150 Cb 0.49 -0.21 0.08 0.00 -1.04 0.00 0.00 41.12 40.44 1p44 n ASP 150 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1p44 n PRO 151 N 1.78 2.05 -0.43 -0.67 -0.02 -1.26 -4.62 135.00 131.83 1p44 n PRO 151 Ca 0.13 -1.75 0.36 0.00 -2.02 0.00 0.00 63.50 60.22 1p44 n PRO 151 Cb -0.01 -1.44 0.64 0.00 -0.02 0.00 0.00 33.50 32.67 1p44 n PRO 151 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p44 h SER 152 N 4.20 0.26 -2.48 2.55 4.64 -1.96 -3.40 113.55 117.36 1p44 h SER 152 Ca 0.00 0.13 -0.56 0.00 -0.47 0.00 0.00 61.79 60.89 1p44 h SER 152 Cb 0.92 0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 62.98 1p44 h SER 152 CO 0.00 -0.15 -0.74 -0.13 -0.87 0.00 0.00 176.83 174.94 1p44 s ARG 153 N -5.31 1.60 0.15 4.77 0.52 -1.26 -5.14 118.95 114.28 1p44 s ARG 153 Ca -0.08 -1.74 -0.14 0.00 -0.52 0.00 0.00 55.73 53.24 1p44 s ARG 153 Cb 0.29 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 34.14 1p44 s ARG 153 CO 0.82 0.25 0.55 0.00 0.02 0.00 0.00 175.30 176.95 1p44 s ALA 154 N -2.67 3.57 0.08 2.13 0.00 -1.26 -5.09 121.76 118.52 1p44 s ALA 154 Ca 0.28 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1p44 s ALA 154 Cb -0.02 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.56 1p44 s ALA 154 CO 0.13 0.45 0.18 0.00 0.00 0.00 0.00 175.76 176.52 1p44 s MET 155 N -1.95 0.81 0.80 0.00 0.23 -1.26 -5.16 119.30 112.76 1p44 s MET 155 Ca 0.38 -0.92 -0.11 0.00 -1.03 0.00 0.00 55.69 54.01 1p44 s MET 155 Cb -0.15 0.33 0.07 0.00 -1.53 0.00 0.00 34.83 33.55 1p44 s MET 155 CO 0.19 -0.25 1.10 -1.25 -2.03 0.00 0.00 175.02 172.79 1p44 s PRO 156 N -3.67 2.04 0.00 3.16 0.04 -1.26 -4.23 135.00 131.08 1p44 s PRO 156 Ca 0.04 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1p44 s PRO 156 Cb 0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1p44 s PRO 156 CO -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 177.00 175.12 1p44 n ALA 157 N -3.61 0.00 -0.36 8.56 0.00 -1.26 -4.50 120.51 119.33 1p44 n ALA 157 Ca 0.10 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.87 1p44 n ALA 157 Cb 0.53 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.65 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 0.24 0.00 0.00 -0.00 -1.79 -3.36 116.97 112.06 1p44 h TYR 158 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1p44 h TYR 158 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 1p44 h TYR 158 CO 0.00 -0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.25 1p44 n ASN 159 N -4.35 0.00 0.00 -2.11 4.13 -1.26 -1.07 115.26 110.60 1p44 n ASN 159 Ca 0.28 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.59 1p44 n ASN 159 Cb 1.21 0.00 0.30 0.00 -1.54 0.00 0.00 39.78 39.75 1p44 n ASN 159 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1p44 n TRP 160 N 13.57 0.00 0.06 3.10 7.02 -0.82 -2.33 117.44 138.04 1p44 n TRP 160 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1p44 n TRP 160 Cb 0.00 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 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 0.00 -0.19 -0.99 4.05 -1.23 -3.15 114.93 113.42 1p44 h MET 161 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1p44 h MET 161 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1p44 h MET 161 CO 0.00 0.37 -0.02 1.15 0.23 0.00 0.00 176.91 178.63 1p44 h THR 162 N 0.00 1.27 -0.93 -0.77 2.02 -1.56 -1.90 112.91 111.04 1p44 h THR 162 Ca -0.11 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1p44 h THR 162 Cb 1.53 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 69.41 1p44 h THR 162 CO 0.05 0.28 0.61 0.58 0.37 0.00 0.00 175.52 177.42 1p44 h VAL 163 N 0.09 1.24 -0.20 3.16 2.07 -1.68 0.59 116.25 121.51 1p44 h VAL 163 Ca 0.05 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1p44 h VAL 163 Cb 0.44 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1p44 h VAL 163 CO 0.01 0.23 0.06 0.00 0.02 0.00 0.00 177.57 177.90 1p44 h ALA 164 N 1.41 0.22 -0.55 1.67 0.00 -1.46 0.59 119.26 121.14 1p44 h ALA 164 Ca 0.34 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1p44 h ALA 164 Cb -0.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1p44 h ALA 164 CO -0.07 -0.37 -0.06 0.87 0.00 0.00 0.00 179.25 179.62 1p44 h LYS 165 N 0.15 1.01 -0.42 0.00 1.79 -0.46 1.62 116.57 120.27 1p44 h LYS 165 Ca 0.09 -0.35 0.02 0.00 -2.18 0.00 0.00 60.65 58.23 1p44 h LYS 165 Cb 0.07 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1p44 h LYS 165 CO -0.10 1.04 0.24 0.77 -1.08 0.00 0.00 179.45 180.31 1p44 h SER 166 N 0.89 0.37 -0.29 0.86 0.02 0.47 0.37 113.55 116.24 1p44 h SER 166 Ca 0.15 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1p44 h SER 166 Cb 0.62 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1p44 h SER 166 CO 0.04 0.27 -0.03 0.00 -1.14 0.00 0.00 176.83 175.97 1p44 h ALA 167 N 1.19 1.20 0.36 3.77 0.00 0.77 -2.94 119.26 123.61 1p44 h ALA 167 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1p44 h ALA 167 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1p44 h ALA 167 CO -0.09 0.52 -0.17 1.25 0.00 0.00 0.00 179.25 180.76 1p44 h LEU 168 N 0.61 -0.41 -0.87 0.00 6.46 0.52 -2.01 115.31 119.62 1p44 h LEU 168 Ca 0.12 -0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.05 1p44 h LEU 168 Cb 0.44 0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 40.36 1p44 h LEU 168 CO 0.02 -0.26 0.41 -0.33 -0.62 0.00 0.00 178.44 177.66 1p44 h GLU 169 N -0.52 0.50 -0.31 1.25 5.08 -0.34 -0.65 114.58 119.58 1p44 h GLU 169 Ca -0.05 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1p44 h GLU 169 Cb 0.40 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1p44 h GLU 169 CO 0.08 0.33 0.10 1.03 -1.00 0.00 0.00 179.01 179.55 1p44 h SER 170 N 0.51 0.10 -0.70 1.42 0.87 -1.27 -1.65 113.55 112.83 1p44 h SER 170 Ca 0.51 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1p44 h SER 170 Cb 0.85 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1p44 h SER 170 CO -0.44 0.09 0.44 0.58 -0.53 0.00 0.00 176.83 176.97 1p44 h VAL 171 N 0.23 1.19 -0.62 2.23 2.07 -0.43 -2.76 116.25 118.16 1p44 h VAL 171 Ca 0.14 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1p44 h VAL 171 Cb 0.12 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1p44 h VAL 171 CO -0.15 0.20 0.32 -1.13 0.02 0.00 0.00 177.57 176.82 1p44 h ASN 172 N 0.97 0.78 -0.67 0.57 -1.24 -0.34 0.21 115.58 115.86 1p44 h ASN 172 Ca 0.26 -0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1p44 h ASN 172 Cb -0.06 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 1p44 h ASN 172 CO -0.05 0.65 0.27 0.03 -1.29 0.00 0.00 177.43 177.03 1p44 h ARG 173 N 0.87 1.00 0.01 6.67 3.08 -1.18 -0.90 114.38 123.92 1p44 h ARG 173 Ca 0.22 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1p44 h ARG 173 Cb 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.96 1p44 h ARG 173 CO -0.03 0.83 -0.31 0.74 -1.07 0.00 0.00 179.97 180.13 1p44 h PHE 174 N 0.95 0.30 -0.47 3.04 -1.00 -1.49 -2.99 116.94 115.28 1p44 h PHE 174 Ca 0.22 -0.17 0.14 0.00 2.81 0.00 0.00 57.97 60.97 1p44 h PHE 174 Cb 0.21 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1p44 h PHE 174 CO 0.01 0.98 0.38 0.28 -1.61 0.00 0.00 178.31 178.36 1p44 h VAL 175 N -0.47 0.62 -0.53 -0.55 2.07 -0.54 0.29 116.25 117.13 1p44 h VAL 175 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1p44 h VAL 175 Cb 1.07 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1p44 h VAL 175 CO 0.06 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.97 1p44 h ALA 176 N 1.68 0.68 0.00 1.67 0.00 -1.01 -1.28 119.26 121.00 1p44 h ALA 176 Ca 0.22 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1p44 h ALA 176 Cb 0.98 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1p44 h ALA 176 CO -0.00 0.17 -0.84 0.07 0.00 0.00 0.00 179.25 178.65 1p44 h ARG 177 N 0.72 0.09 -0.00 0.00 0.11 -0.44 0.21 114.38 115.07 1p44 h ARG 177 Ca 0.19 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1p44 h ARG 177 Cb -0.00 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1p44 h ARG 177 CO -0.04 0.87 -0.02 0.39 0.10 0.00 0.00 179.97 181.28 1p44 n GLU 178 N -3.61 0.74 -0.04 0.08 -0.58 -0.66 -3.41 120.64 113.16 1p44 n GLU 178 Ca -0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 57.16 56.60 1p44 n GLU 178 Cb 0.79 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.10 1p44 n GLU 178 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1p44 n ALA 179 N -1.05 1.85 -0.06 0.62 0.00 -0.50 -4.53 120.51 116.83 1p44 n ALA 179 Ca 0.18 -0.52 0.15 0.00 0.00 0.00 0.00 53.44 53.25 1p44 n ALA 179 Cb 0.21 0.04 0.56 0.00 0.00 0.00 0.00 19.45 20.25 1p44 n ALA 179 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1p44 h GLY 180 N 1.65 0.42 0.96 0.00 0.00 -0.48 -0.47 103.07 105.16 1p44 h GLY 180 Ca -0.21 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1p44 h GLY 180 CO 0.01 0.06 0.30 0.50 0.00 0.00 0.00 176.54 177.41 1p44 h LYS 181 N 0.28 0.59 0.00 4.80 1.57 -1.80 0.13 116.57 122.14 1p44 h LYS 181 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1p44 h LYS 181 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1p44 h LYS 181 CO -0.06 0.39 0.00 0.66 -0.57 0.00 0.00 179.45 179.87 1p44 n TYR 182 N -4.78 0.00 -1.10 -1.35 4.02 -0.31 -4.83 117.16 108.81 1p44 n TYR 182 Ca 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.88 1p44 n TYR 182 Cb 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 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 0.53 0.61 3.80 2.72 0.00 0.44 -4.00 105.19 109.29 1p44 n GLY 183 Ca 0.18 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.11 4.86 0.22 1.61 1.01 -0.44 -0.74 120.40 124.80 1p44 s VAL 184 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1p44 s VAL 184 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1p44 s VAL 184 CO 0.00 0.41 0.40 -0.13 0.00 0.00 0.00 175.10 175.78 1p44 s ARG 185 N -1.56 3.50 -0.04 2.72 0.52 -1.01 -3.01 118.95 120.07 1p44 s ARG 185 Ca 0.21 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.99 1p44 s ARG 185 Cb -0.12 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.55 1p44 s ARG 185 CO 0.12 0.38 0.05 0.45 0.02 0.00 0.00 175.30 176.31 1p44 s SER 186 N -3.40 0.93 0.13 0.23 0.15 -1.25 -0.61 113.70 109.88 1p44 s SER 186 Ca 0.38 0.06 -0.10 0.00 0.70 0.00 0.00 55.95 56.98 1p44 s SER 186 Cb -0.11 -0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1p44 s SER 186 CO 0.30 -0.22 0.27 0.20 1.20 0.00 0.00 173.24 174.99 1p44 s ASN 187 N 1.90 0.03 0.16 5.45 0.01 0.35 0.15 114.94 122.99 1p44 s ASN 187 Ca 0.02 -0.72 0.10 0.00 -0.71 0.00 0.00 52.86 51.55 1p44 s ASN 187 Cb -0.12 0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.90 1p44 s ASN 187 CO -0.03 -0.83 -0.19 -0.76 -1.51 0.00 0.00 177.10 173.78 1p44 s LEU 188 N -2.91 2.64 -0.23 0.60 1.02 -0.70 -1.72 118.68 117.39 1p44 s LEU 188 Ca 0.11 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.58 1p44 s LEU 188 Cb 0.04 -1.41 0.04 0.00 0.02 0.00 0.00 46.19 44.88 1p44 s LEU 188 CO -0.05 0.14 -0.13 -0.69 0.02 0.00 0.00 176.35 175.63 1p44 s VAL 189 N -1.47 2.28 -0.83 -1.59 1.01 -0.26 -0.99 120.40 118.55 1p44 s VAL 189 Ca 0.20 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1p44 s VAL 189 Cb -0.09 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.20 1p44 s VAL 189 CO 0.11 0.23 1.21 0.00 0.00 0.00 0.00 175.10 176.65 1p44 s ALA 190 N 1.22 2.96 0.72 5.51 0.00 0.20 -1.42 121.76 130.94 1p44 s ALA 190 Ca -0.02 -2.00 -0.11 0.00 0.00 0.00 0.00 51.96 49.82 1p44 s ALA 190 Cb -0.17 -4.18 0.02 0.00 0.00 0.00 0.00 23.12 18.80 1p44 s ALA 190 CO -0.08 -3.17 1.10 0.00 0.00 0.00 0.00 175.76 173.61 1p44 s ALA 191 N 4.49 2.85 0.10 0.00 0.00 -0.91 -1.43 121.76 126.86 1p44 s ALA 191 Ca 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1p44 s ALA 191 Cb -0.08 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1p44 s ALA 191 CO 0.02 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1p44 n GLY 192 N -2.99 1.64 3.71 0.00 0.00 -1.22 -4.64 105.19 101.69 1p44 n GLY 192 Ca 0.07 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1p44 n GLY 192 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p44 s PRO 193 N 1.12 4.44 -0.17 1.61 0.02 -1.26 -5.04 135.00 135.72 1p44 s PRO 193 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1p44 s PRO 193 Cb 0.00 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 31.21 1p44 s PRO 193 CO 0.00 -0.24 -0.11 0.42 -0.33 0.00 0.00 177.00 176.73 1p44 s ILE 194 N 1.02 1.52 -0.26 2.83 1.09 -1.26 -4.39 121.20 121.75 1p44 s ILE 194 Ca 0.58 -0.76 -0.33 0.00 -1.10 0.00 0.00 60.65 59.04 1p44 s ILE 194 Cb -0.29 -1.52 -0.10 0.00 -1.06 0.00 0.00 42.46 39.48 1p44 s ILE 194 CO 0.29 0.31 2.11 0.54 -0.10 0.00 0.00 174.94 178.10 1p44 n ARG 195 N 4.76 1.54 0.00 2.79 5.12 -0.76 -4.87 116.66 125.24 1p44 n ARG 195 Ca -0.15 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 1p44 n ARG 195 Cb 0.48 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.10 1p44 n ARG 195 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1p44 n THR 196 N 6.79 0.00 -0.05 0.55 -2.24 -1.26 -4.90 114.28 113.17 1p44 n THR 196 Ca 0.34 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.91 1p44 n THR 196 Cb 0.29 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 1p44 n THR 196 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1p44 n LEU 197 N 0.00 2.66 -0.09 3.22 -0.00 -1.26 -4.01 117.00 117.52 1p44 n LEU 197 Ca 0.00 0.12 0.01 0.00 -0.00 0.00 0.00 56.01 56.15 1p44 n LEU 197 Cb 0.00 -1.03 0.32 0.00 -0.00 0.00 0.00 43.42 42.71 1p44 n LEU 197 CO 0.00 0.83 1.13 0.00 -0.00 0.00 0.00 177.39 179.35 1p44 h ALA 198 N -0.04 1.52 -0.07 1.96 0.00 -1.97 -0.83 119.26 119.82 1p44 h ALA 198 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1p44 h ALA 198 Cb 1.92 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1p44 h ALA 198 CO -0.01 0.40 0.00 -1.33 0.00 0.00 0.00 179.25 178.31 1p44 n MET 199 N -4.40 1.24 0.02 0.00 2.81 -1.26 -0.80 117.12 114.73 1p44 n MET 199 Ca 0.05 -0.37 0.11 0.00 -1.81 0.00 0.00 57.70 55.68 1p44 n MET 199 Cb 0.10 -1.25 0.05 0.00 -0.71 0.00 0.00 33.22 31.41 1p44 n MET 199 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1p44 n SER 200 N -0.35 0.65 -0.00 7.83 7.64 -0.32 -3.45 113.62 125.62 1p44 n SER 200 Ca 0.11 -0.34 -0.00 0.00 1.01 0.00 0.00 58.87 59.66 1p44 n SER 200 Cb 0.13 0.70 -0.00 0.00 -1.01 0.00 0.00 64.21 64.03 1p44 n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p44 n ALA 201 N -1.71 2.00 -0.01 -0.43 0.00 -1.08 -3.27 120.51 116.01 1p44 n ALA 201 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1p44 n ALA 201 Cb 0.40 0.14 0.25 0.00 0.00 0.00 0.00 19.45 20.24 1p44 n ALA 201 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1p44 n ILE 202 N -1.81 1.41 0.00 0.00 5.41 0.02 -1.07 119.36 123.32 1p44 n ILE 202 Ca -0.00 -0.84 0.00 0.00 1.00 0.00 0.00 62.75 62.91 1p44 n ILE 202 Cb 0.31 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 1p44 n ILE 202 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1p44 n VAL 203 N 0.63 0.00 0.50 1.39 0.31 -1.22 -4.65 118.33 115.29 1p44 n VAL 203 Ca 0.18 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.56 1p44 n VAL 203 Cb 0.71 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.91 1p44 n VAL 203 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p44 n GLY 204 N -0.17 -0.71 0.00 2.92 0.00 -1.20 -4.81 105.19 101.21 1p44 n GLY 204 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 0.85 0.20 -0.02 0.00 -1.25 -4.97 105.19 99.67 1p44 n GLY 205 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1p44 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p44 h ALA 206 N 0.00 1.00 -0.50 4.61 0.00 -1.39 0.17 119.26 123.15 1p44 h ALA 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p44 h ALA 206 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p44 h ALA 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1p44 n LEU 207 N -2.53 3.47 0.00 0.00 4.77 -1.11 -4.99 117.00 116.61 1p44 n LEU 207 Ca -0.01 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 1p44 n LEU 207 Cb 0.13 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1p44 n LEU 207 CO 0.17 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1p44 n GLY 208 N 1.30 0.98 1.78 -0.72 0.00 0.59 -4.41 105.19 104.71 1p44 n GLY 208 Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1p44 n GLY 208 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p44 n GLU 209 N 0.00 0.00 -0.20 1.61 1.02 -1.26 -4.65 120.64 117.16 1p44 n GLU 209 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 1p44 n GLU 209 Cb 0.00 -0.01 0.54 0.00 -0.02 0.00 0.00 31.44 31.95 1p44 n GLU 209 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1p44 h GLU 210 N 0.00 0.33 0.06 3.49 -0.00 -2.00 0.17 114.58 116.64 1p44 h GLU 210 Ca 0.00 -0.02 -0.37 0.00 -0.00 0.00 0.00 59.36 58.97 1p44 h GLU 210 Cb 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 28.63 1p44 h GLU 210 CO 0.00 0.22 -2.18 0.00 -0.00 0.00 0.00 179.01 177.05 1p44 n ALA 211 N -2.55 1.18 0.96 1.06 0.00 -1.26 -3.89 120.51 116.01 1p44 n ALA 211 Ca 0.17 -0.84 0.08 0.00 0.00 0.00 0.00 53.44 52.85 1p44 n ALA 211 Cb 0.68 -0.45 0.46 0.00 0.00 0.00 0.00 19.45 20.14 1p44 n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p44 n GLY 212 N 2.05 -0.51 0.10 0.00 0.00 -0.83 -2.05 105.19 103.95 1p44 n GLY 212 Ca -0.36 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.02 1.50 0.01 4.61 0.00 0.54 -3.90 120.51 122.25 1p44 n ALA 213 Ca 0.11 -1.26 -0.18 0.00 0.00 0.00 0.00 53.44 52.11 1p44 n ALA 213 Cb 0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 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 0.53 0.26 0.00 1.08 -1.53 -2.79 115.11 112.66 1p44 h GLN 214 Ca -0.54 -0.55 -0.01 0.00 -1.45 0.00 0.00 58.65 56.10 1p44 h GLN 214 Cb 2.14 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 29.72 1p44 h GLN 214 CO 0.00 1.18 -0.24 0.82 -0.95 0.00 0.00 178.83 179.64 1p44 h ILE 215 N 0.09 0.00 -0.24 2.54 1.08 -1.63 0.35 117.51 119.70 1p44 h ILE 215 Ca -0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1p44 h ILE 215 Cb 1.42 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1p44 h ILE 215 CO 0.15 0.00 0.34 1.56 -0.69 0.00 0.00 178.15 179.51 1p44 h GLN 216 N -0.49 0.00 0.21 2.37 1.08 -1.70 0.32 115.11 116.90 1p44 h GLN 216 Ca -0.03 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.84 1p44 h GLN 216 Cb 0.42 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1p44 h GLN 216 CO -0.01 0.00 -1.41 1.25 -0.95 0.00 0.00 178.83 177.71 1p44 h LEU 217 N 0.00 0.79 0.00 1.46 5.85 -1.06 0.15 115.31 122.50 1p44 h LEU 217 Ca 0.12 -0.83 -0.14 0.00 0.84 0.00 0.00 57.88 57.87 1p44 h LEU 217 Cb 0.80 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1p44 h LEU 217 CO -0.00 1.64 -0.68 0.17 -0.34 0.00 0.00 178.44 179.23 1p44 h LEU 218 N 0.16 0.00 0.24 2.25 -0.00 0.09 -2.91 115.31 115.14 1p44 h LEU 218 Ca -0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 1p44 h LEU 218 Cb 2.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.76 1p44 h LEU 218 CO 0.26 0.65 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.90 1p44 h GLU 219 N 0.00 -0.31 0.00 0.17 5.08 -0.41 -2.60 114.58 116.51 1p44 h GLU 219 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1p44 h GLU 219 Cb 1.51 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1p44 h GLU 219 CO 0.08 -0.21 0.00 0.39 -1.00 0.00 0.00 179.01 178.27 1p44 n GLU 220 N -3.01 0.09 0.00 2.33 1.02 0.51 -0.13 120.64 121.46 1p44 n GLU 220 Ca -0.04 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.18 1p44 n GLU 220 Cb 0.13 -1.29 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1p44 n GLU 220 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p44 n GLY 221 N -0.64 0.17 0.10 0.62 0.00 -0.99 -4.33 105.19 100.11 1p44 n GLY 221 Ca 0.01 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 0.64 0.82 0.04 1.61 -0.00 0.82 -3.52 117.44 117.84 1p44 n TRP 222 Ca 0.09 0.24 -0.10 0.00 -0.00 0.00 0.00 57.50 57.73 1p44 n TRP 222 Cb 0.40 -0.91 -0.13 0.00 -0.00 0.00 0.00 31.31 30.67 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 0.00 0.10 0.62 5.87 -0.00 -1.76 -3.11 116.42 118.14 1p44 h ASP 223 Ca -0.02 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.03 56.85 1p44 h ASP 223 Cb 1.07 -0.03 0.01 0.00 -0.00 0.00 0.00 39.33 40.37 1p44 h ASP 223 CO 0.00 1.11 -0.30 1.56 -0.00 0.00 0.00 179.24 181.62 1p44 h GLN 224 N 0.02 -0.80 0.27 0.28 4.20 -1.76 -3.35 115.11 113.97 1p44 h GLN 224 Ca -0.14 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1p44 h GLN 224 Cb 1.90 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.86 1p44 h GLN 224 CO 0.12 -0.51 -0.13 0.00 -0.67 0.00 0.00 178.83 177.64 1p44 h ARG 225 N -1.18 -0.35 -6.06 1.46 3.08 -1.72 -3.43 114.38 106.16 1p44 h ARG 225 Ca -0.08 0.02 -0.70 0.00 0.07 0.00 0.00 59.98 59.29 1p44 h ARG 225 Cb 0.66 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1p44 h ARG 225 CO 0.14 -0.22 1.21 0.00 -1.07 0.00 0.00 179.97 180.03 1p44 n ALA 226 N -2.26 0.57 0.26 0.04 0.00 -1.17 -4.71 120.51 113.23 1p44 n ALA 226 Ca -0.10 0.14 0.17 0.00 0.00 0.00 0.00 53.44 53.65 1p44 n ALA 226 Cb 0.17 -2.39 0.90 0.00 0.00 0.00 0.00 19.45 18.13 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 10.11 0.00 -0.18 0.00 0.11 -1.80 -1.92 132.00 138.32 1p44 h PRO 227 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1p44 h PRO 227 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1p44 h PRO 227 CO 1.00 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.23 1p44 n ILE 228 N -3.74 0.27 0.00 4.15 -5.35 -1.23 -5.09 119.36 108.37 1p44 n ILE 228 Ca -0.01 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1p44 n ILE 228 Cb 0.20 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 1.11 -1.91 2.72 3.28 0.00 -0.72 -4.98 105.19 104.69 1p44 n GLY 229 Ca 0.13 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.48 1.58 -0.72 1.61 -0.11 -1.26 -4.66 118.94 111.90 1p44 s TRP 230 Ca 0.00 -1.64 -0.27 0.00 1.22 0.00 0.00 56.10 55.41 1p44 s TRP 230 Cb 0.00 -1.63 0.03 0.00 -1.50 0.00 0.00 33.47 30.36 1p44 s TRP 230 CO 0.00 -0.87 1.33 1.21 -4.62 0.00 0.00 176.95 174.00 1p44 s ASN 231 N 1.66 6.09 0.33 5.86 3.04 -1.26 -4.68 114.94 125.98 1p44 s ASN 231 Ca 0.09 -0.36 0.05 0.00 0.04 0.00 0.00 52.86 52.68 1p44 s ASN 231 Cb -0.17 -2.56 0.68 0.00 -1.54 0.00 0.00 41.25 37.66 1p44 s ASN 231 CO -0.26 -1.88 1.91 0.24 -3.04 0.00 0.00 177.10 174.07 1p44 h MET 232 N 10.46 0.82 0.00 0.43 2.86 -1.99 -1.87 114.93 125.64 1p44 h MET 232 Ca -0.28 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1p44 h MET 232 Cb 1.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1p44 h MET 232 CO 1.27 0.54 0.00 0.36 1.06 0.00 0.00 176.91 180.14 1p44 n LYS 233 N -4.52 0.19 -3.66 1.72 0.00 -1.26 -1.83 118.16 108.80 1p44 n LYS 233 Ca 0.14 0.31 -0.39 0.00 -0.00 0.00 0.00 58.31 58.37 1p44 n LYS 233 Cb 0.30 -1.80 -0.11 0.00 -0.00 0.00 0.00 35.03 33.43 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 -4.16 5.53 0.00 -5.58 3.68 -0.70 -4.89 116.67 110.56 1p44 s ASP 234 Ca 0.07 -1.29 0.28 0.00 2.13 0.00 0.00 52.55 53.74 1p44 s ASP 234 Cb 0.11 -1.95 1.02 0.00 -1.45 0.00 0.00 42.92 40.65 1p44 s ASP 234 CO 0.46 -0.43 1.73 0.00 0.13 0.00 0.00 175.17 177.06 1p44 n ALA 235 N 4.89 2.89 -0.16 3.66 0.00 -1.26 -4.27 120.51 126.24 1p44 n ALA 235 Ca -0.11 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.07 1p44 n ALA 235 Cb 0.44 -1.24 0.37 0.00 0.00 0.00 0.00 19.45 19.02 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 0.92 1.01 -0.60 0.00 2.02 -1.95 -1.90 112.91 112.41 1p44 h THR 236 Ca 0.00 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1p44 h THR 236 Cb 0.43 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1p44 h THR 236 CO 0.00 0.13 0.03 -0.65 0.37 0.00 0.00 175.52 175.40 1p44 h PRO 237 N 0.71 1.03 0.05 6.66 0.11 -1.98 0.17 132.00 138.76 1p44 h PRO 237 Ca 0.30 -0.30 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1p44 h PRO 237 Cb 0.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1p44 h PRO 237 CO -0.10 0.99 -0.02 0.28 -0.21 0.00 0.00 178.00 178.94 1p44 h VAL 238 N 0.95 1.12 -0.87 3.15 2.07 -1.76 -0.50 116.25 120.43 1p44 h VAL 238 Ca 0.18 -0.59 0.17 0.00 0.82 0.00 0.00 66.70 67.28 1p44 h VAL 238 Cb 0.51 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 1p44 h VAL 238 CO 0.02 0.15 0.43 0.00 0.02 0.00 0.00 177.57 178.19 1p44 h ALA 239 N 0.60 1.33 -0.23 1.67 0.00 -1.12 0.45 119.26 121.96 1p44 h ALA 239 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1p44 h ALA 239 Cb 0.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1p44 h ALA 239 CO 0.01 -0.16 -0.31 0.87 0.00 0.00 0.00 179.25 179.66 1p44 h LYS 240 N 0.57 0.48 -0.39 0.00 1.57 -0.45 -2.49 116.57 115.86 1p44 h LYS 240 Ca 0.49 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1p44 h LYS 240 Cb 0.77 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1p44 h LYS 240 CO -0.41 0.74 0.06 1.15 -0.57 0.00 0.00 179.45 180.42 1p44 h THR 241 N 0.41 1.24 -0.50 -0.16 2.02 0.14 -2.40 112.91 113.67 1p44 h THR 241 Ca 0.05 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1p44 h THR 241 Cb 0.75 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1p44 h THR 241 CO 0.06 0.30 0.13 0.58 0.37 0.00 0.00 175.52 176.96 1p44 h VAL 242 N 0.50 1.24 -0.82 3.16 2.07 -0.51 -2.39 116.25 119.49 1p44 h VAL 242 Ca 0.12 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1p44 h VAL 242 Cb 0.38 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1p44 h VAL 242 CO 0.01 0.30 0.45 0.00 0.02 0.00 0.00 177.57 178.35 1p44 h ALA 244 N 1.36 0.29 -0.04 0.00 0.00 -1.20 -0.08 119.26 119.59 1p44 h ALA 244 Ca 0.29 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1p44 h ALA 244 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p44 h ALA 244 CO -0.05 -0.28 0.05 -0.07 0.00 0.00 0.00 179.25 178.91 1p44 h LEU 245 N 0.26 0.00 -0.73 0.00 -0.00 -0.83 0.10 115.31 114.12 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1p44 h LEU 245 CO -0.06 0.00 -0.01 0.18 -0.00 0.00 0.00 178.44 178.54 1p44 n LEU 246 N -3.72 1.14 0.00 1.67 4.77 -0.10 -4.88 117.00 115.89 1p44 n LEU 246 Ca -0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1p44 n LEU 246 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1p44 n LEU 246 CO 0.26 0.19 0.00 -1.54 -1.33 0.00 0.00 177.39 174.97 1p44 n SER 247 N -0.13 0.00 -0.83 -1.43 3.41 0.36 -4.87 113.62 110.14 1p44 n SER 247 Ca 0.20 -0.95 0.10 0.00 -0.26 0.00 0.00 58.87 57.96 1p44 n SER 247 Cb 0.30 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.84 2.44 -0.61 4.04 8.00 -1.26 -4.34 116.55 121.98 1p44 n ASP 248 Ca 0.00 -1.90 0.10 0.00 0.71 0.00 0.00 54.79 53.70 1p44 n ASP 248 Cb 0.00 -0.23 0.32 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.82 0.29 -2.86 1.24 7.02 -1.26 -4.06 117.44 118.63 1p44 n TRP 249 Ca 0.17 -0.14 -0.12 0.00 -1.02 0.00 0.00 57.50 56.38 1p44 n TRP 249 Cb 0.42 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.34 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 0.44 0.28 0.31 -0.99 4.77 -1.26 -4.96 117.00 115.58 1p44 n LEU 250 Ca 0.15 -4.12 0.18 0.00 -0.03 0.00 0.00 56.01 52.19 1p44 n LEU 250 Cb 0.34 0.54 0.99 0.00 -2.33 0.00 0.00 43.42 42.96 1p44 n LEU 250 CO 0.12 1.93 1.12 -0.65 -1.33 0.00 0.00 177.39 178.58 1p44 h PRO 251 N 2.86 0.00 -0.23 3.23 0.11 -1.86 -3.11 132.00 132.99 1p44 h PRO 251 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1p44 h PRO 251 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1p44 h PRO 251 CO 0.37 0.02 -0.02 0.00 -0.21 0.00 0.00 178.00 178.16 1p44 n ALA 252 N -2.22 3.15 -3.68 -0.75 0.00 -1.26 -4.94 120.51 110.81 1p44 n ALA 252 Ca -0.03 -2.56 -0.35 0.00 0.00 0.00 0.00 53.44 50.51 1p44 n ALA 252 Cb 0.11 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.94 2.92 -0.02 0.00 -1.32 -1.18 -5.10 115.64 108.02 1p44 s THR 253 Ca 0.41 -1.31 -0.07 0.00 -1.21 0.00 0.00 61.69 59.51 1p44 s THR 253 Cb 0.35 -2.64 0.01 0.00 -1.51 0.00 0.00 72.50 68.71 1p44 s THR 253 CO 0.06 -0.03 0.16 -0.89 -2.21 0.00 0.00 174.62 171.71 1p44 s THR 254 N 1.26 0.06 -0.76 5.08 2.01 -1.26 -4.67 115.64 117.36 1p44 s THR 254 Ca -0.04 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1p44 s THR 254 Cb -0.19 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1p44 s THR 254 CO -0.02 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 1p44 n GLY 255 N 1.90 0.92 3.99 4.40 0.00 0.39 -4.95 105.19 111.83 1p44 n GLY 255 Ca -0.20 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1p44 n GLY 255 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p44 s ASP 256 N -2.77 4.94 -0.20 1.61 1.01 -1.25 -4.51 116.67 115.50 1p44 s ASP 256 Ca 0.00 -0.99 -0.02 0.00 0.71 0.00 0.00 52.55 52.26 1p44 s ASP 256 Cb 0.00 0.35 0.06 0.00 1.01 0.00 0.00 42.92 44.33 1p44 s ASP 256 CO 0.00 -1.27 0.01 -0.63 0.21 0.00 0.00 175.17 173.49 1p44 s ILE 257 N -2.70 0.81 -0.25 0.77 1.01 -1.26 -1.72 121.20 117.86 1p44 s ILE 257 Ca 0.52 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 1p44 s ILE 257 Cb -0.05 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1p44 s ILE 257 CO 0.33 -0.14 0.54 -0.63 0.00 0.00 0.00 174.94 175.04 1p44 s ILE 258 N 1.73 5.06 -0.45 2.92 -1.09 -0.16 -4.91 121.20 124.31 1p44 s ILE 258 Ca -0.02 0.95 -0.24 0.00 -2.23 0.00 0.00 60.65 59.11 1p44 s ILE 258 Cb -0.17 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1p44 s ILE 258 CO -0.07 0.09 0.81 -0.31 -1.23 0.00 0.00 174.94 174.23 1p44 s TYR 259 N 2.23 2.99 -0.88 3.97 1.51 -1.26 -0.63 117.35 125.28 1p44 s TYR 259 Ca 0.23 0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.53 1p44 s TYR 259 Cb -0.16 -3.71 0.29 0.00 -0.11 0.00 0.00 41.96 38.28 1p44 s TYR 259 CO 0.09 -0.99 1.19 0.00 -1.11 0.00 0.00 175.55 174.73 1p44 n ALA 260 N 6.79 4.79 -2.36 3.71 0.00 -0.52 -4.75 120.51 128.18 1p44 n ALA 260 Ca 0.03 -4.78 0.02 0.00 0.00 0.00 0.00 53.44 48.72 1p44 n ALA 260 Cb 0.48 -1.68 0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 0.94 1.40 0.00 0.00 3.85 -1.26 -3.41 116.55 118.07 1p44 n ASP 261 Ca 0.29 -2.44 0.00 0.00 -0.71 0.00 0.00 54.79 51.93 1p44 n ASP 261 Cb 0.36 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 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 -0.03 0.34 1.21 6.12 0.00 -1.26 -2.35 105.19 109.23 1p44 n GLY 262 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.46 0.74 0.37 -0.02 0.00 -1.26 -2.93 105.19 100.62 1p44 n GLY 263 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 1.69 0.00 4.61 0.00 -1.75 -2.00 119.26 121.82 1p44 h ALA 264 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p44 h ALA 264 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1p44 h ALA 264 CO 0.00 0.01 0.00 -2.39 0.00 0.00 0.00 179.25 176.87 1p44 n HIS 265 N -4.65 0.00 -0.26 0.00 1.44 -1.26 -2.42 115.22 108.07 1p44 n HIS 265 Ca 0.20 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.01 1p44 n HIS 265 Cb 0.48 -0.18 0.27 0.00 0.12 0.00 0.00 29.99 30.68 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 -1.18 0.95 -4.37 0.61 -2.24 -0.75 -4.93 114.28 102.37 1p44 n THR 266 Ca 0.10 -0.97 -0.19 0.00 -2.27 0.00 0.00 64.05 60.71 1p44 n THR 266 Cb 0.11 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.03 0.79 0.13 -0.78 -1.52 -1.02 -5.03 119.66 111.20 1p44 s GLN 267 Ca 0.41 -0.45 0.24 0.00 -1.95 0.00 0.00 55.36 53.61 1p44 s GLN 267 Cb 0.21 -0.76 0.30 0.00 -0.22 0.00 0.00 33.01 32.55 1p44 s GLN 267 CO 0.28 0.20 1.29 1.25 -0.25 0.00 0.00 175.29 178.06 1p44 h LEU 268 N 5.64 0.00 0.00 2.90 5.85 -1.91 -3.49 115.31 124.29 1p44 h LEU 268 Ca -0.33 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1p44 h LEU 268 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1p44 h LEU 268 CO 0.48 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.68