#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 1.29 0.14 1.09 0.00 -1.26 -4.26 105.19 102.19 1p44 n GLY 3 Ca 0.00 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 1p44 n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p44 h LEU 4 N 0.00 0.63 -3.32 0.99 6.46 -1.92 -3.34 115.31 114.81 1p44 h LEU 4 Ca 0.00 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 56.84 1p44 h LEU 4 Cb 0.00 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 1p44 h LEU 4 CO 0.00 1.68 0.00 0.18 -0.62 0.00 0.00 178.44 179.68 1p44 n LEU 5 N -3.77 4.89 -4.63 2.25 4.32 -1.10 -4.81 117.00 114.14 1p44 n LEU 5 Ca -0.21 -2.73 -0.59 0.00 -0.02 0.00 0.00 56.01 52.46 1p44 n LEU 5 Cb 1.02 -0.60 -0.08 0.00 -1.62 0.00 0.00 43.42 42.14 1p44 n LEU 5 CO 0.52 0.71 1.41 -0.67 -1.22 0.00 0.00 177.39 178.14 1p44 n ASP 6 N 0.57 1.99 0.00 -1.43 2.03 -1.09 -0.72 116.55 117.90 1p44 n ASP 6 Ca 0.25 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.52 1p44 n ASP 6 Cb 0.99 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1p44 n ASP 6 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p44 n GLY 7 N 4.86 3.33 3.77 0.27 0.00 -0.93 -4.93 105.19 111.55 1p44 n GLY 7 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.67 4.52 -0.27 1.61 1.02 0.11 -4.84 119.74 121.22 1p44 s LYS 8 Ca 0.00 1.62 -0.08 0.00 0.02 0.00 0.00 55.97 57.52 1p44 s LYS 8 Cb 0.00 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1p44 s LYS 8 CO 0.00 0.15 0.11 1.03 -0.92 0.00 0.00 175.35 175.72 1p44 s ARG 9 N -1.80 3.63 0.01 1.68 0.52 -1.26 -0.85 118.95 120.88 1p44 s ARG 9 Ca 0.49 -0.51 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 1p44 s ARG 9 Cb -0.27 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1p44 s ARG 9 CO 0.34 -0.24 -0.22 0.42 0.02 0.00 0.00 175.30 175.62 1p44 s ILE 10 N 1.64 1.74 -0.26 1.52 1.01 -0.24 -0.49 121.20 126.12 1p44 s ILE 10 Ca 0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 1p44 s ILE 10 Cb -0.16 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1p44 s ILE 10 CO 0.06 0.38 0.16 -0.22 0.00 0.00 0.00 174.94 175.32 1p44 s LEU 11 N -0.80 3.94 0.06 2.97 0.20 0.21 -2.20 118.68 123.07 1p44 s LEU 11 Ca 0.08 -0.01 0.06 0.00 0.69 0.00 0.00 54.13 54.96 1p44 s LEU 11 Cb -0.09 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 1p44 s LEU 11 CO 0.00 -0.01 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.24 1p44 s VAL 12 N 1.51 3.21 0.29 1.68 1.01 -0.48 -0.66 120.40 126.96 1p44 s VAL 12 Ca 0.07 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 1p44 s VAL 12 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1p44 s VAL 12 CO 0.08 0.26 0.42 -0.94 0.00 0.00 0.00 175.10 174.91 1p44 s SER 13 N -1.75 0.47 0.00 3.32 1.04 -1.19 -2.33 113.70 113.25 1p44 s SER 13 Ca 0.18 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1p44 s SER 13 Cb -0.11 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1p44 s SER 13 CO 0.09 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1p44 n GLY 14 N -0.46 2.37 3.68 7.32 0.00 -1.24 -3.89 105.19 112.98 1p44 n GLY 14 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 4.20 0.00 -0.61 5.41 -1.26 -4.83 119.36 120.26 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 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 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 -1.64 0.00 -4.32 1.39 0.13 -1.26 -4.67 119.36 108.99 1p44 n ILE 16 Ca 0.14 0.00 -0.20 0.00 -1.10 0.00 0.00 62.75 61.59 1p44 n ILE 16 Cb 0.47 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 39.18 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 -1.00 0.16 -2.28 9.51 -4.23 -1.26 -4.68 115.64 111.86 1p44 s THR 17 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1p44 s THR 17 Cb 0.00 -2.47 0.61 0.00 1.34 0.00 0.00 72.50 71.98 1p44 s THR 17 CO 0.00 0.00 1.86 -0.90 -0.54 0.00 0.00 174.62 175.04 1p44 n ASP 18 N -1.26 1.05 -0.01 3.99 3.85 -1.26 -3.53 116.55 119.38 1p44 n ASP 18 Ca 0.03 -1.28 0.09 0.00 -0.71 0.00 0.00 54.79 52.92 1p44 n ASP 18 Cb 0.64 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.28 1p44 n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1p44 n SER 19 N -0.23 0.87 -4.77 -1.12 3.41 -1.26 -4.80 113.62 105.72 1p44 n SER 19 Ca 0.19 -0.27 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 1p44 n SER 19 Cb 0.29 1.58 -0.03 0.00 -0.26 0.00 0.00 64.21 65.79 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 -3.65 6.83 0.23 4.04 1.04 -1.23 -4.75 113.70 116.22 1p44 s SER 20 Ca -0.03 2.37 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 1p44 s SER 20 Cb 0.12 -2.62 0.34 0.00 0.10 0.00 0.00 66.02 63.96 1p44 s SER 20 CO 0.74 -0.46 1.63 0.40 0.98 0.00 0.00 173.24 176.52 1p44 h ILE 21 N 2.70 0.33 -0.50 -1.02 2.04 -1.93 -0.51 117.51 118.62 1p44 h ILE 21 Ca -0.48 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.51 1p44 h ILE 21 Cb 1.22 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1p44 h ILE 21 CO 0.64 0.01 0.38 0.00 0.00 0.00 0.00 178.15 179.18 1p44 h ALA 22 N 1.69 2.43 -0.27 1.87 0.00 -1.89 -0.43 119.26 122.66 1p44 h ALA 22 Ca 0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1p44 h ALA 22 Cb 0.60 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1p44 h ALA 22 CO -0.68 -0.64 -0.06 0.35 0.00 0.00 0.00 179.25 178.22 1p44 h PHE 23 N 0.00 0.59 -0.04 0.00 3.04 -1.36 -1.75 116.94 117.42 1p44 h PHE 23 Ca 0.24 -0.13 -0.09 0.00 3.98 0.00 0.00 57.97 61.98 1p44 h PHE 23 Cb 0.99 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1p44 h PHE 23 CO 0.00 0.73 -0.38 0.45 -2.02 0.00 0.00 178.31 177.09 1p44 h HIS 24 N 0.28 0.09 -0.00 0.41 3.86 -1.12 -0.47 115.15 118.21 1p44 h HIS 24 Ca 0.07 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1p44 h HIS 24 Cb 0.53 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 1p44 h HIS 24 CO 0.05 0.45 0.00 0.82 0.86 0.00 0.00 177.93 180.11 1p44 h ILE 25 N 0.07 1.19 -0.75 2.45 2.04 -0.99 -1.00 117.51 120.51 1p44 h ILE 25 Ca 0.01 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1p44 h ILE 25 Cb 0.70 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1p44 h ILE 25 CO 0.05 0.14 0.34 0.00 0.00 0.00 0.00 178.15 178.68 1p44 h ALA 26 N 0.77 1.17 -0.69 1.87 0.00 -1.10 0.28 119.26 121.57 1p44 h ALA 26 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1p44 h ALA 26 Cb 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1p44 h ALA 26 CO 0.00 0.62 0.20 -0.09 0.00 0.00 0.00 179.25 179.98 1p44 h ARG 27 N 1.08 1.07 -0.01 0.00 2.43 -0.88 0.75 114.38 118.82 1p44 h ARG 27 Ca 0.26 -0.23 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 1p44 h ARG 27 Cb 0.15 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1p44 h ARG 27 CO -0.03 0.93 -0.90 0.28 -1.51 0.00 0.00 179.97 178.73 1p44 h VAL 28 N 1.03 1.41 -0.70 0.20 2.07 -0.70 -1.18 116.25 118.37 1p44 h VAL 28 Ca 0.22 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 1p44 h VAL 28 Cb 0.31 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1p44 h VAL 28 CO -0.01 0.72 0.27 0.00 0.02 0.00 0.00 177.57 178.58 1p44 h ALA 29 N 0.80 0.92 -0.22 1.67 0.00 -0.09 -1.53 119.26 120.80 1p44 h ALA 29 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1p44 h ALA 29 Cb 1.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1p44 h ALA 29 CO 0.15 0.55 -0.13 1.96 0.00 0.00 0.00 179.25 181.78 1p44 h GLN 30 N 1.01 0.47 0.00 0.00 4.20 -0.78 -2.27 115.11 117.74 1p44 h GLN 30 Ca 0.23 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1p44 h GLN 30 Cb 0.23 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1p44 h GLN 30 CO -0.02 0.76 0.15 0.93 -0.67 0.00 0.00 178.83 179.99 1p44 h GLU 31 N 0.17 0.00 -0.66 1.46 5.08 -0.94 0.29 114.58 119.97 1p44 h GLU 31 Ca 0.05 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.16 1p44 h GLU 31 Cb 0.64 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.74 1p44 h GLU 31 CO 0.04 0.00 0.25 1.04 -1.00 0.00 0.00 179.01 179.33 1p44 n GLN 32 N -2.86 2.94 -3.55 2.33 1.13 -0.60 -4.96 117.38 111.82 1p44 n GLN 32 Ca -0.02 -3.07 -0.24 0.00 -1.94 0.00 0.00 57.00 51.73 1p44 n GLN 32 Cb 0.21 -2.08 0.05 0.00 0.11 0.00 0.00 30.24 28.52 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 -0.61 -0.91 3.37 1.08 0.00 0.10 -2.67 105.19 105.55 1p44 n GLY 33 Ca 0.41 0.43 -0.26 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.48 2.24 -0.16 4.61 0.00 -0.90 -2.19 121.76 121.87 1p44 s ALA 34 Ca 0.38 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1p44 s ALA 34 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1p44 s ALA 34 CO 0.81 0.40 -0.02 -1.14 0.00 0.00 0.00 175.76 175.81 1p44 s GLN 35 N -2.43 3.71 0.38 0.00 -0.44 -0.03 -4.42 119.66 116.44 1p44 s GLN 35 Ca 0.15 -0.50 0.07 0.00 -2.50 0.00 0.00 55.36 52.59 1p44 s GLN 35 Cb -0.08 -2.97 -0.01 0.00 -1.64 0.00 0.00 33.01 28.31 1p44 s GLN 35 CO 0.07 0.23 0.44 -0.51 0.50 0.00 0.00 175.29 176.02 1p44 s LEU 36 N 0.41 3.67 -0.11 3.68 1.43 -1.26 -1.08 118.68 125.42 1p44 s LEU 36 Ca -0.03 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1p44 s LEU 36 Cb -0.14 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1p44 s LEU 36 CO 0.03 -0.56 0.22 -0.69 0.23 0.00 0.00 176.35 175.58 1p44 s VAL 37 N -2.32 -0.29 0.07 -1.59 1.01 -0.93 -4.21 120.40 112.13 1p44 s VAL 37 Ca 0.48 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.79 1p44 s VAL 37 Cb -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1p44 s VAL 37 CO 0.30 0.12 -0.06 -0.76 0.00 0.00 0.00 175.10 174.70 1p44 s LEU 38 N 2.15 3.23 0.01 3.92 1.43 -0.73 -1.39 118.68 127.29 1p44 s LEU 38 Ca -0.00 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1p44 s LEU 38 Cb -0.12 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1p44 s LEU 38 CO -0.07 0.20 -0.23 0.42 0.23 0.00 0.00 176.35 176.90 1p44 s THR 39 N -1.19 1.84 0.29 5.49 -4.23 -0.99 -0.42 115.64 116.43 1p44 s THR 39 Ca 0.22 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1p44 s THR 39 Cb -0.11 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1p44 s THR 39 CO 0.14 0.42 0.16 -0.83 -0.54 0.00 0.00 174.62 173.96 1p44 s GLY 40 N -0.81 2.00 0.00 3.99 0.00 -0.33 -3.91 107.32 108.26 1p44 s GLY 40 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1p44 s GLY 40 CO 0.00 -1.56 0.00 0.33 0.00 0.00 0.00 173.10 171.87 1p44 n PHE 41 N -0.55 0.00 0.12 1.90 7.35 -1.26 0.08 117.46 125.10 1p44 n PHE 41 Ca 0.01 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.54 1p44 n PHE 41 Cb 0.65 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.38 1p44 n PHE 41 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1p44 h ASP 42 N 0.00 -1.60 0.00 -2.13 -0.00 -2.00 -3.19 116.42 107.50 1p44 h ASP 42 Ca 0.00 0.17 -0.08 0.00 -0.00 0.00 0.00 57.03 57.12 1p44 h ASP 42 Cb 0.00 0.59 -0.02 0.00 -0.00 0.00 0.00 39.33 39.90 1p44 h ASP 42 CO 0.00 -0.56 0.50 0.54 -0.00 0.00 0.00 179.24 179.72 1p44 n ARG 43 N -5.49 0.66 -0.24 4.15 1.74 -1.26 -4.49 116.66 111.74 1p44 n ARG 43 Ca -0.09 -0.41 0.14 0.00 -0.77 0.00 0.00 57.85 56.73 1p44 n ARG 43 Cb 0.42 -1.74 0.44 0.00 -1.02 0.00 0.00 32.46 30.55 1p44 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1p44 h LEU 44 N 6.27 0.53 -0.98 0.55 3.38 -1.93 0.35 115.31 123.49 1p44 h LEU 44 Ca 0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1p44 h LEU 44 Cb 0.38 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1p44 h LEU 44 CO 0.55 0.26 0.39 0.03 0.09 0.00 0.00 178.44 179.76 1p44 h ARG 45 N 0.56 1.12 0.07 1.13 3.08 -1.92 -1.00 114.38 117.41 1p44 h ARG 45 Ca 0.43 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 1p44 h ARG 45 Cb 0.85 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1p44 h ARG 45 CO -0.18 0.85 -0.04 1.25 -1.07 0.00 0.00 179.97 180.78 1p44 h LEU 46 N 1.11 -0.09 -1.91 3.04 6.46 -0.85 -3.24 115.31 119.83 1p44 h LEU 46 Ca 0.27 -0.49 0.24 0.00 -0.12 0.00 0.00 57.88 57.78 1p44 h LEU 46 Cb 0.09 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1p44 h LEU 46 CO -0.04 0.59 0.61 0.40 -0.62 0.00 0.00 178.44 179.39 1p44 h ILE 47 N -0.91 0.59 -0.10 4.05 2.04 -0.54 0.16 117.51 122.80 1p44 h ILE 47 Ca -0.01 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1p44 h ILE 47 Cb 0.57 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1p44 h ILE 47 CO 0.02 0.01 -0.10 1.56 0.00 0.00 0.00 178.15 179.64 1p44 h GLN 48 N 0.08 -0.12 -0.03 2.37 1.08 -1.21 -1.56 115.11 115.72 1p44 h GLN 48 Ca 0.42 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.66 1p44 h GLN 48 Cb 1.54 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.96 1p44 h GLN 48 CO -0.04 -0.08 -0.23 -0.09 -0.95 0.00 0.00 178.83 177.44 1p44 h ARG 49 N -0.13 -0.34 -0.17 1.46 2.43 -0.74 -1.69 114.38 115.20 1p44 h ARG 49 Ca 0.07 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1p44 h ARG 49 Cb 0.23 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1p44 h ARG 49 CO -0.18 -0.22 -0.26 0.82 -1.51 0.00 0.00 179.97 178.62 1p44 h ILE 50 N -0.35 0.38 -0.00 1.20 5.03 -1.34 0.28 117.51 122.70 1p44 h ILE 50 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.81 1p44 h ILE 50 Cb 0.44 0.38 -0.00 0.00 -3.03 0.00 0.00 36.82 34.61 1p44 h ILE 50 CO -0.23 0.00 0.01 0.71 -0.68 0.00 0.00 178.15 177.96 1p44 h THR 51 N -0.30 0.27 -0.06 -0.27 1.35 -1.06 -1.90 112.91 110.94 1p44 h THR 51 Ca 0.11 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.91 1p44 h THR 51 Cb 0.48 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1p44 h THR 51 CO -0.35 0.00 -0.00 0.47 -0.25 0.00 0.00 175.52 175.39 1p44 n ASP 52 N -3.47 5.45 0.00 5.36 8.00 0.09 -1.69 116.55 130.29 1p44 n ASP 52 Ca -0.03 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1p44 n ASP 52 Cb 0.09 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1p44 n ASP 52 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p44 n ARG 53 N 1.51 4.46 -0.90 -1.24 5.12 -0.71 -5.01 116.66 119.88 1p44 n ARG 53 Ca 0.09 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 1p44 n ARG 53 Cb 0.56 -0.51 0.11 0.00 -1.16 0.00 0.00 32.46 31.46 1p44 n ARG 53 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1p44 n LEU 54 N -0.15 0.52 0.00 0.55 4.77 -0.68 -4.82 117.00 117.18 1p44 n LEU 54 Ca 0.00 0.40 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1p44 n LEU 54 Cb 0.00 -1.25 0.40 0.00 -2.33 0.00 0.00 43.42 40.25 1p44 n LEU 54 CO 0.00 -3.31 0.72 -0.81 -1.33 0.00 0.00 177.39 172.66 1p44 n PRO 55 N -1.78 0.24 -3.45 3.23 -0.04 -1.26 -4.81 135.00 127.12 1p44 n PRO 55 Ca 0.08 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1p44 n PRO 55 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.54 -1.68 0.29 0.55 0.00 -1.26 -5.10 121.76 112.02 1p44 s ALA 56 Ca 0.15 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 1p44 s ALA 56 Cb 0.11 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.75 1p44 s ALA 56 CO 0.24 -0.68 0.96 -1.59 0.00 0.00 0.00 175.76 174.69 1p44 s LYS 57 N -3.16 4.68 -0.11 0.00 -2.85 -1.26 -4.99 119.74 112.05 1p44 s LYS 57 Ca -0.00 1.45 -0.06 0.00 -1.00 0.00 0.00 55.97 56.36 1p44 s LYS 57 Cb -0.01 -3.02 0.05 0.00 -2.06 0.00 0.00 37.83 32.78 1p44 s LYS 57 CO -0.08 0.35 0.26 0.00 0.10 0.00 0.00 175.35 175.98 1p44 s ALA 58 N -1.39 -0.61 0.42 0.59 0.00 -1.26 -4.87 121.76 114.64 1p44 s ALA 58 Ca 0.46 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.22 1p44 s ALA 58 Cb -0.23 -0.66 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 1p44 s ALA 58 CO 0.29 -0.20 1.17 -0.35 0.00 0.00 0.00 175.76 176.67 1p44 n PRO 59 N 4.20 1.70 -3.93 0.00 -0.04 -1.26 -4.72 135.00 130.95 1p44 n PRO 59 Ca -0.25 0.61 -0.34 0.00 -0.04 0.00 0.00 63.50 63.48 1p44 n PRO 59 Cb 0.53 -2.25 -0.14 0.00 -0.04 0.00 0.00 33.50 31.61 1p44 n PRO 59 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1p44 s LEU 60 N -1.24 4.54 0.37 1.53 2.96 -1.26 -1.78 118.68 123.81 1p44 s LEU 60 Ca 0.62 -1.82 -0.01 0.00 -0.22 0.00 0.00 54.13 52.70 1p44 s LEU 60 Cb -0.53 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1p44 s LEU 60 CO 0.57 -0.38 0.59 -0.76 -1.32 0.00 0.00 176.35 175.06 1p44 s LEU 61 N 1.08 3.94 0.09 -0.68 1.43 0.44 -4.93 118.68 120.04 1p44 s LEU 61 Ca 0.04 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.51 1p44 s LEU 61 Cb -0.20 -3.43 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 1p44 s LEU 61 CO -0.05 -0.35 0.54 -0.70 0.23 0.00 0.00 176.35 176.02 1p44 s GLU 62 N -4.39 4.09 -0.30 1.70 2.12 -1.26 -1.18 118.70 119.48 1p44 s GLU 62 Ca 0.41 0.62 0.04 0.00 0.36 0.00 0.00 54.97 56.40 1p44 s GLU 62 Cb -0.10 -3.14 0.18 0.00 0.26 0.00 0.00 34.13 31.33 1p44 s GLU 62 CO 0.38 0.60 0.50 -1.17 -0.54 0.00 0.00 175.26 175.02 1p44 s LEU 63 N -1.37 -1.19 -0.33 2.70 2.96 0.11 -4.78 118.68 116.78 1p44 s LEU 63 Ca 0.31 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 1p44 s LEU 63 Cb -0.18 1.55 -0.02 0.00 0.50 0.00 0.00 46.19 48.05 1p44 s LEU 63 CO 0.18 -0.32 0.34 -0.62 -1.32 0.00 0.00 176.35 174.61 1p44 s ASP 64 N 2.63 6.16 0.21 3.68 3.68 -1.26 -4.41 116.67 127.36 1p44 s ASP 64 Ca 0.10 -0.22 0.19 0.00 2.13 0.00 0.00 52.55 54.75 1p44 s ASP 64 Cb -0.11 -2.18 0.87 0.00 -1.45 0.00 0.00 42.92 40.04 1p44 s ASP 64 CO -0.27 -0.30 1.58 1.33 0.13 0.00 0.00 175.17 177.64 1p44 n VAL 65 N 5.20 1.05 0.48 1.11 0.24 -1.26 -1.53 118.33 123.62 1p44 n VAL 65 Ca -0.10 0.41 0.12 0.00 -2.04 0.00 0.00 64.34 62.73 1p44 n VAL 65 Cb 0.50 -1.34 0.17 0.00 -1.47 0.00 0.00 33.84 31.70 1p44 n VAL 65 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1p44 h GLN 66 N 0.00 0.00 -5.33 7.34 4.20 -1.94 -3.43 115.11 115.94 1p44 h GLN 66 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 1p44 h GLN 66 Cb 0.20 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.83 1p44 h GLN 66 CO 0.00 0.00 0.65 1.21 -0.67 0.00 0.00 178.83 180.02 1p44 s ASN 67 N -4.60 6.31 0.38 1.46 3.04 -0.58 -4.86 114.94 116.09 1p44 s ASN 67 Ca 0.06 -1.32 0.21 0.00 0.04 0.00 0.00 52.86 51.85 1p44 s ASN 67 Cb 0.12 -2.42 1.17 0.00 -1.54 0.00 0.00 41.25 38.58 1p44 s ASN 67 CO 0.71 -1.33 1.62 -0.08 -3.04 0.00 0.00 177.10 174.98 1p44 h GLU 68 N 9.36 0.00 0.20 0.43 4.57 -1.85 0.89 114.58 128.18 1p44 h GLU 68 Ca -0.14 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.71 1p44 h GLU 68 Cb 1.06 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1p44 h GLU 68 CO 1.17 0.00 -1.47 1.49 -1.18 0.00 0.00 179.01 179.01 1p44 h GLU 69 N 0.00 0.43 -0.13 1.92 4.81 -1.94 -2.82 114.58 116.85 1p44 h GLU 69 Ca 0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 1p44 h GLU 69 Cb 0.27 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1p44 h GLU 69 CO 0.00 1.34 0.06 0.45 -0.73 0.00 0.00 179.01 180.13 1p44 h HIS 70 N 0.12 0.19 -0.91 0.92 3.86 -1.15 -2.56 115.15 115.62 1p44 h HIS 70 Ca -0.24 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.11 1p44 h HIS 70 Cb 2.10 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 30.44 1p44 h HIS 70 CO 0.10 0.25 0.59 -0.07 0.86 0.00 0.00 177.93 179.66 1p44 h LEU 71 N 0.08 0.66 0.00 2.43 4.07 -1.53 0.20 115.31 121.22 1p44 h LEU 71 Ca 0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1p44 h LEU 71 Cb 0.13 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1p44 h LEU 71 CO -0.01 0.32 0.00 0.00 -1.08 0.00 0.00 178.44 177.67 1p44 n ALA 72 N -2.43 2.05 0.02 1.53 0.00 -0.97 -3.27 120.51 117.44 1p44 n ALA 72 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1p44 n ALA 72 Cb 0.50 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.29 3.08 -0.12 0.00 3.41 -0.04 -4.84 113.62 113.83 1p44 n SER 73 Ca 0.09 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.41 1p44 n SER 73 Cb 0.16 1.04 -0.08 0.00 -0.26 0.00 0.00 64.21 65.07 1p44 n SER 73 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p44 h LEU 74 N 0.00 -1.46 -0.93 1.04 3.38 -1.28 -0.38 115.31 115.69 1p44 h LEU 74 Ca 0.00 0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.41 1p44 h LEU 74 Cb 0.05 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1p44 h LEU 74 CO 0.00 -0.31 0.44 0.00 0.09 0.00 0.00 178.44 178.66 1p44 h ALA 75 N -0.31 1.56 0.58 1.53 0.00 -1.80 0.47 119.26 121.30 1p44 h ALA 75 Ca 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1p44 h ALA 75 Cb 0.46 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1p44 h ALA 75 CO -0.47 -0.38 -0.28 0.78 0.00 0.00 0.00 179.25 178.90 1p44 h GLY 76 N 0.40 -0.81 -0.21 0.00 0.00 -1.59 -0.76 103.07 100.10 1p44 h GLY 76 Ca 0.60 0.30 0.13 0.00 0.00 0.00 0.00 47.33 48.36 1p44 h GLY 76 CO -0.55 -0.29 -0.12 3.21 0.00 0.00 0.00 176.54 178.79 1p44 h ARG 77 N -0.99 0.02 -0.66 4.80 3.08 -0.33 0.37 114.38 120.67 1p44 h ARG 77 Ca -0.08 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1p44 h ARG 77 Cb 0.59 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 1p44 h ARG 77 CO 0.13 0.01 0.35 0.28 -1.07 0.00 0.00 179.97 179.67 1p44 h VAL 78 N 0.02 0.93 -0.50 2.04 2.07 -0.08 0.31 116.25 121.04 1p44 h VAL 78 Ca 0.30 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.75 1p44 h VAL 78 Cb 0.48 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1p44 h VAL 78 CO -0.62 0.12 0.38 0.74 0.02 0.00 0.00 177.57 178.21 1p44 h THR 79 N 0.63 0.68 0.05 2.57 2.02 0.13 0.67 112.91 119.66 1p44 h THR 79 Ca 0.30 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.33 1p44 h THR 79 Cb 0.23 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1p44 h THR 79 CO -0.20 0.00 -0.62 -0.33 0.37 0.00 0.00 175.52 174.74 1p44 h GLU 80 N 0.00 0.33 -0.16 6.66 5.08 0.83 -1.28 114.58 126.04 1p44 h GLU 80 Ca 0.24 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1p44 h GLU 80 Cb 1.00 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1p44 h GLU 80 CO -0.00 1.13 -0.07 0.00 -1.00 0.00 0.00 179.01 179.06 1p44 h ALA 81 N 0.21 0.07 0.00 3.43 0.00 0.12 -3.10 119.26 119.98 1p44 h ALA 81 Ca -0.09 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1p44 h ALA 81 Cb 1.39 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1p44 h ALA 81 CO 0.12 -0.51 -1.37 0.44 0.00 0.00 0.00 179.25 177.93 1p44 n ILE 82 N -5.22 1.13 0.00 0.00 -5.35 -0.57 -4.98 119.36 104.38 1p44 n ILE 82 Ca -0.03 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1p44 n ILE 82 Cb 0.14 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 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 1.37 2.34 3.61 3.28 0.00 -0.48 -4.85 105.19 110.45 1p44 n GLY 83 Ca -0.09 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 1.63 0.17 -0.96 4.61 0.00 -1.23 -1.86 120.51 122.87 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 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 1.23 0.49 3.16 0.00 0.00 -1.26 -5.03 105.19 103.78 1p44 n GLY 85 Ca 0.11 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.27 1.73 0.21 1.61 0.01 -0.78 -5.15 114.94 110.30 1p44 s ASN 86 Ca 0.00 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1p44 s ASN 86 Cb 0.00 -0.10 -0.05 0.00 0.41 0.00 0.00 41.25 41.51 1p44 s ASN 86 CO 0.00 0.02 -0.04 -0.54 -1.51 0.00 0.00 177.10 175.03 1p44 s LYS 87 N -1.25 1.28 0.28 -0.60 -0.14 -1.26 -4.88 119.74 113.18 1p44 s LYS 87 Ca 0.01 -1.62 -0.19 0.00 -1.36 0.00 0.00 55.97 52.82 1p44 s LYS 87 Cb -0.08 -0.70 -0.09 0.00 -1.68 0.00 0.00 37.83 35.28 1p44 s LYS 87 CO 0.01 -0.02 0.76 -0.51 -0.76 0.00 0.00 175.35 174.84 1p44 s LEU 88 N -3.28 4.22 0.00 3.17 1.43 0.91 -4.73 118.68 120.41 1p44 s LEU 88 Ca 0.25 1.43 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 1p44 s LEU 88 Cb 0.04 -3.85 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 1p44 s LEU 88 CO 0.07 -0.08 0.39 0.47 0.23 0.00 0.00 176.35 177.43 1p44 n ASP 89 N 0.26 0.57 -3.56 2.29 10.43 0.35 -1.79 116.55 125.10 1p44 n ASP 89 Ca 0.01 -0.79 -0.17 0.00 2.57 0.00 0.00 54.79 56.41 1p44 n ASP 89 Cb 0.52 0.84 -0.06 0.00 1.84 0.00 0.00 41.12 44.25 1p44 n ASP 89 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1p44 s GLY 90 N -1.55 -0.51 -0.05 0.44 0.00 -1.13 -2.32 107.32 102.19 1p44 s GLY 90 Ca 0.04 1.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 1p44 s GLY 90 CO 0.28 0.87 0.10 0.14 0.00 0.00 0.00 173.10 174.48 1p44 s VAL 91 N -1.11 -0.12 -0.17 1.40 1.01 -0.82 -0.62 120.40 119.97 1p44 s VAL 91 Ca -0.11 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1p44 s VAL 91 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1p44 s VAL 91 CO 0.09 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.48 1p44 s VAL 92 N 1.73 2.64 -0.44 2.92 1.01 0.17 0.19 120.40 128.62 1p44 s VAL 92 Ca -0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 1p44 s VAL 92 Cb -0.12 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.23 1p44 s VAL 92 CO -0.04 0.51 0.30 -2.28 0.00 0.00 0.00 175.10 173.59 1p44 s HIS 93 N 0.99 3.36 -0.62 5.22 2.46 0.11 -3.19 115.29 123.62 1p44 s HIS 93 Ca -0.02 -1.61 0.06 0.00 0.47 0.00 0.00 55.06 53.96 1p44 s HIS 93 Cb -0.15 -3.17 0.22 0.00 -0.13 0.00 0.00 32.58 29.36 1p44 s HIS 93 CO -0.03 -0.90 0.63 0.45 -2.47 0.00 0.00 174.74 172.42 1p44 n SER 94 N 4.94 2.92 -3.92 9.88 2.88 -1.25 -2.14 113.62 126.93 1p44 n SER 94 Ca -0.10 -3.24 -0.19 0.00 -1.33 0.00 0.00 58.87 54.02 1p44 n SER 94 Cb 0.42 -0.68 -0.16 0.00 -0.75 0.00 0.00 64.21 63.04 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 -1.92 0.54 -0.14 2.46 1.01 -1.26 -3.60 121.20 118.29 1p44 s ILE 95 Ca 0.35 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 1p44 s ILE 95 Cb 0.09 -0.53 0.04 0.00 0.01 0.00 0.00 42.46 42.07 1p44 s ILE 95 CO -0.08 0.20 0.39 -0.83 0.00 0.00 0.00 174.94 174.63 1p44 s GLY 96 N 0.56 -0.29 -0.18 6.18 0.00 -1.26 -4.63 107.32 107.70 1p44 s GLY 96 Ca -0.07 1.09 -0.19 0.00 0.00 0.00 0.00 44.72 45.55 1p44 s GLY 96 CO 0.00 0.94 0.53 -0.12 0.00 0.00 0.00 173.10 174.45 1p44 s PHE 97 N 0.17 -0.57 -0.30 1.90 5.36 -1.26 -4.98 117.98 118.30 1p44 s PHE 97 Ca -0.00 1.34 -0.12 0.00 -0.96 0.00 0.00 56.93 57.19 1p44 s PHE 97 Cb -0.03 0.21 0.14 0.00 -0.34 0.00 0.00 43.02 43.00 1p44 s PHE 97 CO 0.01 -0.31 0.76 1.41 -1.46 0.00 0.00 175.22 175.62 1p44 s MET 98 N 0.07 0.49 0.77 10.12 -2.45 -1.26 -4.19 119.30 122.86 1p44 s MET 98 Ca -0.02 1.22 -0.15 0.00 -1.25 0.00 0.00 55.69 55.49 1p44 s MET 98 Cb -0.04 0.72 0.01 0.00 1.25 0.00 0.00 34.83 36.77 1p44 s MET 98 CO 0.02 -0.17 0.80 -2.30 1.05 0.00 0.00 175.02 174.42 1p44 n PRO 99 N 5.25 0.28 0.00 4.11 -0.02 -1.26 -4.80 135.00 138.56 1p44 n PRO 99 Ca -0.11 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.54 1p44 n PRO 99 Cb 0.50 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1p44 n PRO 99 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1p44 n GLN 100 N -1.75 0.00 0.22 -0.52 6.02 -1.26 -0.96 117.38 119.13 1p44 n GLN 100 Ca 0.11 0.41 0.10 0.00 -0.01 0.00 0.00 57.00 57.61 1p44 n GLN 100 Cb 0.50 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.66 1p44 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p44 h THR 101 N 0.00 0.49 -0.05 5.09 1.03 -1.94 -3.25 112.91 114.27 1p44 h THR 101 Ca 0.00 -1.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.20 1p44 h THR 101 Cb 0.09 1.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 1p44 h THR 101 CO 0.00 0.22 0.00 0.61 -0.01 0.00 0.00 175.52 176.34 1p44 n GLY 102 N 0.38 3.44 0.00 2.99 0.00 -0.13 -4.08 105.19 107.78 1p44 n GLY 102 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.59 0.00 0.00 1.61 2.00 -1.19 -1.32 117.12 117.63 1p44 n MET 103 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.76 1p44 n MET 103 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.60 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 2.20 0.00 0.06 3.03 0.00 -1.22 -4.34 105.19 104.92 1p44 n GLY 104 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p44 n GLY 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p44 n ILE 105 N 0.00 0.30 -1.77 -0.61 -5.35 -1.26 -4.39 119.36 106.28 1p44 n ILE 105 Ca 0.00 -0.52 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 1p44 n ILE 105 Cb 0.00 -0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 1p44 n ILE 105 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1p44 s ASN 106 N -4.91 6.49 0.96 7.28 2.47 -1.26 -4.94 114.94 121.04 1p44 s ASN 106 Ca -0.04 2.62 -0.17 0.00 0.42 0.00 0.00 52.86 55.69 1p44 s ASN 106 Cb 0.12 -2.55 -0.14 0.00 -1.45 0.00 0.00 41.25 37.23 1p44 s ASN 106 CO 0.85 -0.99 -0.72 -2.65 -3.72 0.00 0.00 177.10 169.87 1p44 n PRO 107 N 6.46 -0.01 -0.07 0.43 -0.02 -1.26 -4.68 135.00 135.85 1p44 n PRO 107 Ca 0.18 -0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 1p44 n PRO 107 Cb 0.40 -1.03 -0.06 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.95 0.73 0.00 6.00 3.04 -1.92 -3.15 116.94 120.68 1p44 h PHE 108 Ca -0.44 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.27 1p44 h PHE 108 Cb 1.31 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1p44 h PHE 108 CO 0.22 0.96 0.00 1.19 -2.02 0.00 0.00 178.31 178.66 1p44 n PHE 109 N -4.32 0.00 0.02 0.41 3.72 -1.26 -3.45 117.46 112.58 1p44 n PHE 109 Ca -0.05 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.46 1p44 n PHE 109 Cb 0.47 -0.27 0.25 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.27 3.58 -4.63 4.37 10.43 -1.19 -4.88 116.55 122.95 1p44 n ASP 110 Ca 0.10 -1.98 -0.41 0.00 2.57 0.00 0.00 54.79 55.07 1p44 n ASP 110 Cb 0.16 -0.33 -0.06 0.00 1.84 0.00 0.00 41.12 42.74 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 -1.26 3.63 0.54 2.24 0.00 -1.22 -4.99 121.76 120.70 1p44 s ALA 111 Ca 0.41 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 1p44 s ALA 111 Cb 0.23 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 1p44 s ALA 111 CO 0.31 -0.86 1.05 -1.25 0.00 0.00 0.00 175.76 175.01 1p44 s PRO 112 N 2.64 3.59 0.28 0.00 0.04 -1.26 -4.90 135.00 135.39 1p44 s PRO 112 Ca 0.30 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1p44 s PRO 112 Cb -0.15 -2.07 0.52 0.00 0.04 0.00 0.00 34.50 32.84 1p44 s PRO 112 CO 0.08 -0.60 1.86 -0.92 0.04 0.00 0.00 177.00 177.46 1p44 h TYR 113 N 1.03 1.14 -0.63 0.56 3.20 -1.99 -2.03 116.97 118.25 1p44 h TYR 113 Ca -0.48 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.54 1p44 h TYR 113 Cb 1.22 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 1p44 h TYR 113 CO 0.58 0.51 0.43 0.00 -1.64 0.00 0.00 178.16 178.03 1p44 h ALA 114 N 1.51 2.14 0.18 1.82 0.00 -1.98 0.66 119.26 123.59 1p44 h ALA 114 Ca 0.47 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.11 1p44 h ALA 114 Cb 0.37 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1p44 h ALA 114 CO -0.22 -0.30 -1.10 -0.44 0.00 0.00 0.00 179.25 177.19 1p44 h ASP 115 N 0.33 0.66 0.36 0.00 3.45 -1.76 -2.89 116.42 116.56 1p44 h ASP 115 Ca 0.30 -0.92 -0.02 0.00 0.43 0.00 0.00 57.03 56.82 1p44 h ASP 115 Cb 0.72 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1p44 h ASP 115 CO -0.08 1.53 -0.17 0.58 -1.57 0.00 0.00 179.24 179.53 1p44 h VAL 116 N -0.11 0.66 -0.81 -1.35 2.07 -1.07 -2.01 116.25 113.63 1p44 h VAL 116 Ca -0.19 -0.26 0.21 0.00 0.82 0.00 0.00 66.70 67.29 1p44 h VAL 116 Cb 1.86 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1p44 h VAL 116 CO 0.21 0.05 0.57 -1.28 0.02 0.00 0.00 177.57 177.13 1p44 h SER 117 N -0.62 0.13 -0.13 0.57 0.87 0.19 0.20 113.55 114.76 1p44 h SER 117 Ca -0.05 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1p44 h SER 117 Cb 0.45 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1p44 h SER 117 CO 0.08 0.06 -0.20 0.50 -0.53 0.00 0.00 176.83 176.73 1p44 h LYS 118 N 0.14 0.37 -0.83 2.24 3.64 -1.23 -1.58 116.57 119.32 1p44 h LYS 118 Ca 0.40 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1p44 h LYS 118 Cb 1.36 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 1p44 h LYS 118 CO -0.06 0.81 0.55 0.78 -2.27 0.00 0.00 179.45 179.25 1p44 h GLY 119 N -0.03 1.18 1.43 5.01 0.00 0.03 -1.97 103.07 108.73 1p44 h GLY 119 Ca 0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1p44 h GLY 119 CO 0.05 0.41 -0.43 -2.22 0.00 0.00 0.00 176.54 174.34 1p44 h ILE 120 N 1.10 1.30 0.00 2.60 2.04 -1.12 0.65 117.51 124.08 1p44 h ILE 120 Ca 0.31 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.58 1p44 h ILE 120 Cb -0.09 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1p44 h ILE 120 CO -0.08 0.51 -0.13 -0.74 0.00 0.00 0.00 178.15 177.71 1p44 h HIS 121 N 0.50 -0.33 0.03 1.37 2.76 -0.88 0.64 115.15 119.24 1p44 h HIS 121 Ca 0.04 0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 58.00 1p44 h HIS 121 Cb 0.95 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1p44 h HIS 121 CO 0.04 -0.19 -1.00 0.82 -1.30 0.00 0.00 177.93 176.30 1p44 h ILE 122 N -0.22 1.56 0.08 6.26 2.04 -1.21 0.40 117.51 126.42 1p44 h ILE 122 Ca 0.05 -2.94 -0.34 0.00 1.00 0.00 0.00 64.86 62.63 1p44 h ILE 122 Cb 0.28 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 1p44 h ILE 122 CO -0.13 0.85 -1.91 -1.20 0.00 0.00 0.00 178.15 175.76 1p44 n SER 123 N -3.55 1.64 -0.01 1.72 7.64 0.22 -4.43 113.62 116.85 1p44 n SER 123 Ca -0.04 0.27 -0.01 0.00 1.01 0.00 0.00 58.87 60.11 1p44 n SER 123 Cb 0.89 -0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.84 0.60 -0.20 -0.43 0.00 0.20 -4.72 120.51 113.13 1p44 n ALA 124 Ca -0.27 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 52.91 1p44 n ALA 124 Cb 1.05 0.01 0.11 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.11 0.11 -0.17 0.00 3.20 -0.95 -2.17 116.97 116.87 1p44 h TYR 125 Ca 0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1p44 h TYR 125 Cb 0.11 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1p44 h TYR 125 CO -0.05 -0.09 0.39 0.66 -1.64 0.00 0.00 178.16 177.43 1p44 h SER 126 N 0.20 0.00 -0.48 -2.11 4.64 -1.12 0.23 113.55 114.90 1p44 h SER 126 Ca 0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.57 1p44 h SER 126 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1p44 h SER 126 CO -0.46 0.00 0.02 0.22 -0.87 0.00 0.00 176.83 175.74 1p44 h TYR 127 N 0.00 0.91 -0.23 4.77 3.20 -1.67 -0.92 116.97 123.03 1p44 h TYR 127 Ca 0.08 -0.15 -0.13 0.00 3.14 0.00 0.00 58.73 61.67 1p44 h TYR 127 Cb 0.87 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 1p44 h TYR 127 CO 0.00 0.85 -0.37 0.00 -1.64 0.00 0.00 178.16 177.00 1p44 h ALA 128 N 0.94 0.35 -0.08 1.82 0.00 -0.69 -2.47 119.26 119.12 1p44 h ALA 128 Ca 0.14 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1p44 h ALA 128 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1p44 h ALA 128 CO 0.02 0.43 -0.51 0.66 0.00 0.00 0.00 179.25 179.85 1p44 h SER 129 N 0.35 0.25 -0.10 0.00 4.64 -1.47 0.17 113.55 117.39 1p44 h SER 129 Ca 0.02 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.05 1p44 h SER 129 Cb 0.97 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1p44 h SER 129 CO 0.09 0.72 -0.53 -0.03 -0.87 0.00 0.00 176.83 176.21 1p44 h MET 130 N 0.18 0.68 0.00 4.77 -1.53 -1.22 0.11 114.93 117.93 1p44 h MET 130 Ca 0.01 -0.42 -0.08 0.00 -3.44 0.00 0.00 59.70 55.77 1p44 h MET 130 Cb 0.97 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 32.05 1p44 h MET 130 CO 0.08 1.04 -0.36 0.00 0.14 0.00 0.00 176.91 177.80 1p44 h ALA 131 N 0.88 1.16 -0.06 0.39 0.00 -1.12 -1.59 119.26 118.91 1p44 h ALA 131 Ca 0.02 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1p44 h ALA 131 Cb 1.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1p44 h ALA 131 CO 0.11 0.45 -0.75 -0.22 0.00 0.00 0.00 179.25 178.84 1p44 h LYS 132 N 0.00 0.37 -0.06 0.00 3.64 0.14 -2.46 116.57 118.20 1p44 h LYS 132 Ca -0.00 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1p44 h LYS 132 Cb 0.76 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1p44 h LYS 132 CO 0.05 0.96 -0.25 0.00 -2.27 0.00 0.00 179.45 177.94 1p44 h ALA 133 N 0.94 0.11 0.00 5.00 0.00 -0.11 -3.37 119.26 121.83 1p44 h ALA 133 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p44 h ALA 133 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1p44 h ALA 133 CO 0.13 0.11 -0.97 1.28 0.00 0.00 0.00 179.25 179.80 1p44 n LEU 134 N -4.50 0.63 -0.10 0.00 4.77 -0.67 -4.41 117.00 112.73 1p44 n LEU 134 Ca -0.08 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1p44 n LEU 134 Cb 0.46 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1p44 n LEU 134 CO 0.40 -0.01 0.61 0.25 -1.33 0.00 0.00 177.39 177.31 1p44 h LEU 135 N 0.00 -1.25 -0.74 2.23 5.85 -1.60 -1.46 115.31 118.34 1p44 h LEU 135 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1p44 h LEU 135 Cb 0.78 0.56 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1p44 h LEU 135 CO 0.00 -0.36 0.21 -2.65 -0.34 0.00 0.00 178.44 175.30 1p44 n PRO 136 N -5.42 0.07 -0.25 5.25 -0.02 -1.26 -1.52 135.00 131.85 1p44 n PRO 136 Ca -0.00 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 1p44 n PRO 136 Cb 0.35 -1.95 0.19 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.90 2.00 -3.94 4.25 -5.35 -0.55 -5.01 119.36 108.86 1p44 n ILE 137 Ca -0.01 -1.97 -0.27 0.00 -0.27 0.00 0.00 62.75 60.23 1p44 n ILE 137 Cb 0.23 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 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 -2.68 3.44 0.16 6.28 -1.94 -0.58 -0.06 119.30 123.92 1p44 s MET 138 Ca 0.35 -0.56 -0.16 0.00 -1.71 0.00 0.00 55.69 53.60 1p44 s MET 138 Cb 0.29 -2.98 -0.07 0.00 2.01 0.00 0.00 34.83 34.08 1p44 s MET 138 CO 0.06 0.54 0.60 -0.80 -0.01 0.00 0.00 175.02 175.41 1p44 s ASN 139 N -3.07 6.91 0.51 3.03 0.02 -0.74 -4.87 114.94 116.73 1p44 s ASN 139 Ca 0.35 1.19 -0.23 0.00 -1.02 0.00 0.00 52.86 53.14 1p44 s ASN 139 Cb -0.11 -2.33 -0.06 0.00 0.02 0.00 0.00 41.25 38.76 1p44 s ASN 139 CO 0.28 0.10 1.38 -2.16 0.02 0.00 0.00 177.10 176.73 1p44 s PRO 140 N -1.87 3.37 0.00 -0.60 0.04 -1.24 -2.11 135.00 132.59 1p44 s PRO 140 Ca 0.38 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1p44 s PRO 140 Cb -0.16 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1p44 s PRO 140 CO 0.20 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1p44 n GLY 141 N 0.66 0.55 3.91 0.56 0.00 0.62 -4.98 105.19 106.52 1p44 n GLY 141 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.92 1.63 -0.07 -0.02 0.00 -0.90 -4.89 107.32 102.16 1p44 s GLY 142 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1p44 s GLY 142 CO 0.00 -0.30 -0.09 -0.45 0.00 0.00 0.00 173.10 172.27 1p44 s SER 143 N -4.44 1.62 -0.10 1.64 0.15 -0.98 0.13 113.70 111.71 1p44 s SER 143 Ca 0.59 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 1p44 s SER 143 Cb -0.11 -0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 63.46 1p44 s SER 143 CO 0.47 -0.03 -0.02 -0.63 1.20 0.00 0.00 173.24 174.23 1p44 s ILE 144 N 1.01 4.14 -0.10 6.45 1.01 0.20 -1.94 121.20 131.97 1p44 s ILE 144 Ca -0.09 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1p44 s ILE 144 Cb -0.15 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.61 1p44 s ILE 144 CO -0.00 0.58 0.32 0.54 0.00 0.00 0.00 174.94 176.38 1p44 s VAL 145 N -0.60 0.01 0.18 2.92 0.11 0.13 -1.97 120.40 121.18 1p44 s VAL 145 Ca 0.10 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 1p44 s VAL 145 Cb -0.12 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1p44 s VAL 145 CO 0.02 -0.06 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.83 1p44 s GLY 146 N -0.16 1.25 0.32 6.54 0.00 -0.70 0.06 107.32 114.63 1p44 s GLY 146 Ca -0.03 -1.59 -0.26 0.00 0.00 0.00 0.00 44.72 42.84 1p44 s GLY 146 CO 0.01 -1.62 0.94 1.06 0.00 0.00 0.00 173.10 173.49 1p44 s MET 147 N -3.79 4.58 0.09 2.90 -1.94 -0.91 -0.60 119.30 119.64 1p44 s MET 147 Ca 0.21 1.32 -0.06 0.00 -1.71 0.00 0.00 55.69 55.45 1p44 s MET 147 Cb 0.04 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 1p44 s MET 147 CO 0.04 0.29 0.13 0.34 -0.01 0.00 0.00 175.02 175.80 1p44 s ASP 148 N -1.61 0.23 -0.22 3.03 3.68 0.91 -4.79 116.67 117.91 1p44 s ASP 148 Ca 0.50 -0.82 -0.05 0.00 2.13 0.00 0.00 52.55 54.31 1p44 s ASP 148 Cb -0.19 0.31 0.08 0.00 -1.45 0.00 0.00 42.92 41.67 1p44 s ASP 148 CO 0.24 -0.71 0.11 0.12 0.13 0.00 0.00 175.17 175.05 1p44 s PHE 149 N -3.91 0.25 -0.31 -5.34 2.19 -1.26 -1.48 117.98 108.12 1p44 s PHE 149 Ca 0.09 -0.54 -0.19 0.00 0.33 0.00 0.00 56.93 56.61 1p44 s PHE 149 Cb 0.06 -0.78 -0.09 0.00 -1.31 0.00 0.00 43.02 40.89 1p44 s PHE 149 CO -0.08 -0.64 1.10 -3.47 1.83 0.00 0.00 175.22 173.95 1p44 n ASP 150 N 5.27 0.29 -1.15 6.13 -0.08 -1.26 -4.80 116.55 120.95 1p44 n ASP 150 Ca -0.07 0.25 0.09 0.00 -1.51 0.00 0.00 54.79 53.56 1p44 n ASP 150 Cb 0.46 -0.43 0.27 0.00 2.34 0.00 0.00 41.12 43.76 1p44 n ASP 150 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1p44 n PRO 151 N 3.70 2.54 -0.34 -0.67 -0.04 -1.26 -4.56 135.00 134.37 1p44 n PRO 151 Ca 0.28 -2.17 0.21 0.00 -0.04 0.00 0.00 63.50 61.77 1p44 n PRO 151 Cb -0.01 -1.52 0.45 0.00 -0.04 0.00 0.00 33.50 32.37 1p44 n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1p44 h SER 152 N 3.44 0.56 -4.30 3.54 0.02 -1.95 -3.42 113.55 111.44 1p44 h SER 152 Ca 0.00 0.12 -0.29 0.00 -0.84 0.00 0.00 61.79 60.78 1p44 h SER 152 Cb 0.88 0.03 -0.25 0.00 0.14 0.00 0.00 62.40 63.20 1p44 h SER 152 CO 0.04 0.08 -0.74 0.00 -1.14 0.00 0.00 176.83 175.07 1p44 s ARG 153 N -5.64 0.42 0.59 3.45 1.70 -1.26 -5.13 118.95 113.08 1p44 s ARG 153 Ca -0.10 -0.42 -0.19 0.00 -0.47 0.00 0.00 55.73 54.55 1p44 s ARG 153 Cb 0.27 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1p44 s ARG 153 CO 0.80 0.07 1.17 0.00 -1.08 0.00 0.00 175.30 176.26 1p44 n ALA 154 N 2.29 0.85 -3.20 7.88 0.00 -1.26 -5.04 120.51 122.03 1p44 n ALA 154 Ca -0.17 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1p44 n ALA 154 Cb 0.57 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 1p44 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p44 s MET 155 N -2.95 0.73 0.29 0.00 0.23 -1.26 -5.15 119.30 111.18 1p44 s MET 155 Ca 0.76 -0.25 -0.29 0.00 -1.03 0.00 0.00 55.69 54.88 1p44 s MET 155 Cb -0.41 0.32 -0.10 0.00 -1.53 0.00 0.00 34.83 33.11 1p44 s MET 155 CO 0.46 -0.21 1.35 -1.25 -2.03 0.00 0.00 175.02 173.34 1p44 s PRO 156 N -1.64 4.33 0.00 3.16 0.04 -1.26 -3.74 135.00 135.89 1p44 s PRO 156 Ca -0.11 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1p44 s PRO 156 Cb -0.04 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1p44 s PRO 156 CO 0.03 -0.28 0.00 0.00 0.04 0.00 0.00 177.00 176.79 1p44 n ALA 157 N 1.52 0.00 0.22 8.56 0.00 -1.26 -4.74 120.51 124.80 1p44 n ALA 157 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1p44 n ALA 157 Cb 0.41 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.31 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 5.03 -1.78 -3.23 116.97 116.99 1p44 h TYR 158 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1p44 h TYR 158 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1p44 h TYR 158 CO 0.00 0.23 0.00 0.09 -1.32 0.00 0.00 178.16 177.16 1p44 n ASN 159 N -3.39 0.00 0.24 -2.11 4.13 -1.26 -0.12 115.26 112.75 1p44 n ASN 159 Ca 0.00 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.41 1p44 n ASN 159 Cb 0.44 0.00 0.51 0.00 -1.54 0.00 0.00 39.78 39.19 1p44 n ASN 159 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1p44 h TRP 160 N 0.00 0.00 0.00 3.10 4.06 -1.51 -2.17 115.95 119.43 1p44 h TRP 160 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1p44 h TRP 160 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1p44 h TRP 160 CO 0.00 0.00 -0.23 1.98 -3.56 0.00 0.00 178.44 176.63 1p44 h MET 161 N 0.00 0.00 -0.15 0.49 4.05 -0.60 -1.50 114.93 117.22 1p44 h MET 161 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1p44 h MET 161 Cb 0.65 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1p44 h MET 161 CO 0.00 0.23 -0.30 1.15 0.23 0.00 0.00 176.91 178.23 1p44 h THR 162 N 0.00 1.36 -0.73 -0.77 2.02 -0.98 -1.76 112.91 112.05 1p44 h THR 162 Ca -0.00 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.60 1p44 h THR 162 Cb 0.76 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1p44 h THR 162 CO 0.03 0.46 0.34 0.58 0.37 0.00 0.00 175.52 177.30 1p44 h VAL 163 N 0.08 1.24 -0.86 3.16 2.07 -1.36 -0.70 116.25 119.89 1p44 h VAL 163 Ca 0.01 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1p44 h VAL 163 Cb 0.89 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1p44 h VAL 163 CO 0.07 0.29 0.56 0.00 0.02 0.00 0.00 177.57 178.51 1p44 h ALA 164 N 1.17 1.11 -0.15 1.67 0.00 -1.22 -1.25 119.26 120.57 1p44 h ALA 164 Ca 0.25 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1p44 h ALA 164 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1p44 h ALA 164 CO -0.03 0.46 -0.42 0.87 0.00 0.00 0.00 179.25 180.13 1p44 h LYS 165 N 1.13 0.35 -0.80 0.00 1.79 -0.71 -0.74 116.57 117.59 1p44 h LYS 165 Ca 0.33 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1p44 h LYS 165 Cb -0.08 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 1p44 h LYS 165 CO -0.09 0.71 0.39 0.77 -1.08 0.00 0.00 179.45 180.16 1p44 h SER 166 N 0.29 1.05 1.10 0.86 0.02 -0.46 -1.31 113.55 115.10 1p44 h SER 166 Ca 0.03 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1p44 h SER 166 Cb 0.86 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1p44 h SER 166 CO 0.07 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 1p44 h ALA 167 N 1.21 1.00 0.19 3.77 0.00 -0.76 -3.14 119.26 121.52 1p44 h ALA 167 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.87 1p44 h ALA 167 Cb 0.11 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1p44 h ALA 167 CO -0.04 0.00 -1.35 1.25 0.00 0.00 0.00 179.25 179.11 1p44 h LEU 168 N 0.00 0.86 -0.73 0.00 6.46 0.02 -2.90 115.31 119.02 1p44 h LEU 168 Ca 0.00 -0.87 -0.08 0.00 -0.12 0.00 0.00 57.88 56.81 1p44 h LEU 168 Cb 0.55 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1p44 h LEU 168 CO 0.00 1.66 0.09 -0.33 -0.62 0.00 0.00 178.44 179.24 1p44 h GLU 169 N 0.20 1.06 -0.48 1.25 5.08 -1.44 0.11 114.58 120.36 1p44 h GLU 169 Ca -0.22 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 1p44 h GLU 169 Cb 2.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1p44 h GLU 169 CO 0.26 0.98 -0.14 1.03 -1.00 0.00 0.00 179.01 180.14 1p44 h SER 170 N 0.99 0.95 -0.54 1.42 0.87 -1.63 -2.40 113.55 113.22 1p44 h SER 170 Ca 0.20 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.28 1p44 h SER 170 Cb 0.44 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1p44 h SER 170 CO 0.01 1.10 -0.06 0.58 -0.53 0.00 0.00 176.83 177.93 1p44 h VAL 171 N 0.79 1.26 -0.68 2.23 2.07 -1.28 -2.56 116.25 118.08 1p44 h VAL 171 Ca 0.12 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.48 1p44 h VAL 171 Cb 0.70 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1p44 h VAL 171 CO 0.05 0.43 0.45 -1.13 0.02 0.00 0.00 177.57 177.39 1p44 h ASN 172 N 0.91 0.66 0.21 0.57 -1.24 -0.56 0.12 115.58 116.26 1p44 h ASN 172 Ca 0.15 -0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.05 1p44 h ASN 172 Cb 0.61 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1p44 h ASN 172 CO 0.04 0.45 -0.39 0.03 -1.29 0.00 0.00 177.43 176.26 1p44 h ARG 173 N 0.77 0.25 0.07 6.67 3.08 -1.02 -2.71 114.38 121.48 1p44 h ARG 173 Ca 0.28 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1p44 h ARG 173 Cb 0.15 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1p44 h ARG 173 CO -0.08 0.61 -0.53 0.74 -1.07 0.00 0.00 179.97 179.64 1p44 h PHE 174 N 0.21 0.40 -1.01 3.04 -1.00 -0.98 -3.25 116.94 114.35 1p44 h PHE 174 Ca 0.02 -0.27 0.25 0.00 2.81 0.00 0.00 57.97 60.78 1p44 h PHE 174 Cb 0.79 -0.03 -0.09 0.00 3.61 0.00 0.00 35.95 40.24 1p44 h PHE 174 CO 0.01 1.16 0.65 0.28 -1.61 0.00 0.00 178.31 178.81 1p44 h VAL 175 N -0.47 0.56 -0.33 -0.55 2.07 -0.85 -0.23 116.25 116.46 1p44 h VAL 175 Ca -0.09 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1p44 h VAL 175 Cb 1.36 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1p44 h VAL 175 CO 0.10 0.08 -0.13 0.00 0.02 0.00 0.00 177.57 177.64 1p44 h ALA 176 N 1.62 1.16 0.00 1.67 0.00 -1.51 1.03 119.26 123.22 1p44 h ALA 176 Ca 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1p44 h ALA 176 Cb 1.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1p44 h ALA 176 CO -0.28 0.53 0.00 0.07 0.00 0.00 0.00 179.25 179.58 1p44 h ARG 177 N 0.53 0.00 0.00 0.00 0.11 -1.08 0.96 114.38 114.91 1p44 h ARG 177 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1p44 h ARG 177 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1p44 h ARG 177 CO 0.03 0.00 -0.03 0.93 0.10 0.00 0.00 179.97 181.00 1p44 h GLU 178 N 0.00 0.00 -1.06 0.08 4.39 -1.00 -3.33 114.58 113.66 1p44 h GLU 178 Ca 0.00 0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.98 1p44 h GLU 178 Cb 0.75 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.32 1p44 h GLU 178 CO 0.00 0.00 0.70 0.00 -1.16 0.00 0.00 179.01 178.55 1p44 h ALA 179 N -1.09 2.39 0.00 3.43 0.00 0.11 0.44 119.26 124.53 1p44 h ALA 179 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p44 h ALA 179 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1p44 h ALA 179 CO 0.00 -0.78 0.00 0.78 0.00 0.00 0.00 179.25 179.25 1p44 h GLY 180 N 0.32 0.00 2.00 0.00 0.00 -0.77 -0.74 103.07 103.88 1p44 h GLY 180 Ca 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.80 1p44 h GLY 180 CO -0.25 0.00 -0.57 0.50 0.00 0.00 0.00 176.54 176.22 1p44 h LYS 181 N 0.00 0.00 -0.22 4.80 1.57 -0.24 -2.82 116.57 119.66 1p44 h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p44 h LYS 181 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1p44 h LYS 181 CO 0.00 0.57 0.00 0.66 -0.57 0.00 0.00 179.45 180.11 1p44 n TYR 182 N -3.85 0.27 -0.92 -1.35 4.02 -0.39 -4.93 117.16 110.01 1p44 n TYR 182 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1p44 n TYR 182 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 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 1.40 0.44 3.89 2.72 0.00 -1.01 -3.73 105.19 108.91 1p44 n GLY 183 Ca 0.17 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 5.40 -0.06 1.61 1.01 -0.55 -0.27 120.40 125.54 1p44 s VAL 184 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1p44 s VAL 184 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1p44 s VAL 184 CO 0.00 0.43 0.11 -0.13 0.00 0.00 0.00 175.10 175.51 1p44 s ARG 185 N -1.61 3.26 -0.09 2.72 0.52 0.12 -3.22 118.95 120.65 1p44 s ARG 185 Ca 0.24 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 1p44 s ARG 185 Cb -0.13 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.34 1p44 s ARG 185 CO 0.14 0.71 -0.17 0.45 0.02 0.00 0.00 175.30 176.45 1p44 s SER 186 N -1.40 2.37 0.12 0.23 0.15 -1.26 0.59 113.70 114.50 1p44 s SER 186 Ca 0.20 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 1p44 s SER 186 Cb -0.12 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.12 1p44 s SER 186 CO 0.10 0.07 0.30 0.20 1.20 0.00 0.00 173.24 175.10 1p44 s ASN 187 N 0.66 -0.04 0.25 5.45 0.01 -0.83 0.16 114.94 120.61 1p44 s ASN 187 Ca -0.13 -0.56 0.11 0.00 -0.71 0.00 0.00 52.86 51.56 1p44 s ASN 187 Cb -0.16 0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.87 1p44 s ASN 187 CO 0.04 -0.82 -0.16 -0.76 -1.51 0.00 0.00 177.10 173.88 1p44 s LEU 188 N -2.86 2.70 -0.16 0.60 1.02 -0.81 -1.71 118.68 117.46 1p44 s LEU 188 Ca 0.06 -0.88 0.00 0.00 0.02 0.00 0.00 54.13 53.34 1p44 s LEU 188 Cb 0.03 -1.28 0.03 0.00 0.02 0.00 0.00 46.19 44.99 1p44 s LEU 188 CO -0.09 0.06 -0.09 -0.69 0.02 0.00 0.00 176.35 175.56 1p44 s VAL 189 N -2.20 1.35 -0.34 -1.59 1.01 0.23 -1.66 120.40 117.21 1p44 s VAL 189 Ca 0.28 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1p44 s VAL 189 Cb -0.06 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1p44 s VAL 189 CO 0.15 0.26 0.60 0.00 0.00 0.00 0.00 175.10 176.10 1p44 s ALA 190 N 1.54 3.48 0.21 5.51 0.00 -0.79 -0.06 121.76 131.66 1p44 s ALA 190 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1p44 s ALA 190 Cb -0.14 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1p44 s ALA 190 CO -0.09 -1.22 0.18 0.00 0.00 0.00 0.00 175.76 174.63 1p44 s ALA 191 N 2.59 3.62 1.00 0.00 0.00 -0.55 -0.43 121.76 127.99 1p44 s ALA 191 Ca 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1p44 s ALA 191 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1p44 s ALA 191 CO 0.14 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1p44 n GLY 192 N -0.80 -1.62 3.77 0.00 0.00 -1.21 -4.68 105.19 100.64 1p44 n GLY 192 Ca -0.08 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.37 4.69 -0.17 1.61 0.02 -1.26 -5.03 135.00 132.48 1p44 s PRO 193 Ca 0.00 1.33 -0.00 0.00 0.02 0.00 0.00 61.00 62.35 1p44 s PRO 193 Cb 0.00 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.42 1p44 s PRO 193 CO 0.00 0.47 -0.07 0.42 -0.33 0.00 0.00 177.00 177.50 1p44 s ILE 194 N -1.29 1.25 -0.64 2.83 -1.09 -1.26 -4.40 121.20 116.60 1p44 s ILE 194 Ca 0.42 -0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 57.91 1p44 s ILE 194 Cb -0.23 -1.40 -0.19 0.00 -1.58 0.00 0.00 42.46 39.06 1p44 s ILE 194 CO 0.28 0.14 1.70 -1.14 -1.23 0.00 0.00 174.94 174.69 1p44 n ARG 195 N 4.82 0.05 -2.31 2.79 0.63 0.72 -4.88 116.66 118.49 1p44 n ARG 195 Ca -0.13 -1.12 -0.26 0.00 -0.92 0.00 0.00 57.85 55.42 1p44 n ARG 195 Cb 0.47 -2.92 0.16 0.00 0.45 0.00 0.00 32.46 30.62 1p44 n ARG 195 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1p44 n THR 196 N 7.47 0.00 -0.08 5.15 5.66 -1.26 -4.85 114.28 126.38 1p44 n THR 196 Ca 0.30 -1.34 -0.12 0.00 -3.05 0.00 0.00 64.05 59.84 1p44 n THR 196 Cb 0.46 -1.14 -0.05 0.00 -1.55 0.00 0.00 70.33 68.05 1p44 n THR 196 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1p44 h LEU 197 N 0.00 0.44 -1.94 1.09 7.12 -1.89 0.23 115.31 120.36 1p44 h LEU 197 Ca -0.37 -0.36 0.40 0.00 0.13 0.00 0.00 57.88 57.67 1p44 h LEU 197 Cb 1.22 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 41.17 1p44 h LEU 197 CO 0.34 0.70 0.98 0.00 -0.13 0.00 0.00 178.44 180.32 1p44 h ALA 198 N 0.76 3.24 0.00 1.25 0.00 -1.97 0.88 119.26 123.42 1p44 h ALA 198 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p44 h ALA 198 Cb 0.50 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1p44 h ALA 198 CO 0.02 -1.65 -0.87 0.00 0.00 0.00 0.00 179.25 176.75 1p44 n MET 199 N -4.16 2.01 0.33 0.00 0.00 -1.08 -4.41 117.12 109.80 1p44 n MET 199 Ca 0.30 -0.03 0.17 0.00 0.00 0.00 0.00 57.70 58.15 1p44 n MET 199 Cb 1.42 -1.19 0.93 0.00 0.00 0.00 0.00 33.22 34.37 1p44 n MET 199 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1p44 h SER 200 N 0.00 0.00 0.10 3.17 0.02 0.43 -1.09 113.55 116.18 1p44 h SER 200 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1p44 h SER 200 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1p44 h SER 200 CO 0.00 0.00 -1.17 0.00 -1.14 0.00 0.00 176.83 174.52 1p44 h ALA 201 N 1.55 0.12 0.00 3.77 0.00 -1.76 -3.33 119.26 119.62 1p44 h ALA 201 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1p44 h ALA 201 Cb 0.44 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p44 h ALA 201 CO 0.00 0.66 0.00 0.82 0.00 0.00 0.00 179.25 180.73 1p44 h ILE 202 N -0.44 0.00 -0.97 0.00 5.03 -1.48 -3.05 117.51 116.59 1p44 h ILE 202 Ca -0.25 -0.16 0.21 0.00 -0.12 0.00 0.00 64.86 64.53 1p44 h ILE 202 Cb 1.63 0.90 -0.09 0.00 -3.03 0.00 0.00 36.82 36.24 1p44 h ILE 202 CO 0.05 0.00 0.62 0.58 -0.68 0.00 0.00 178.15 178.71 1p44 h VAL 203 N 0.00 0.67 0.00 1.67 2.07 -1.54 -1.05 116.25 118.07 1p44 h VAL 203 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1p44 h VAL 203 Cb 0.20 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1p44 h VAL 203 CO 0.00 0.11 -0.61 0.61 0.02 0.00 0.00 177.57 177.70 1p44 n GLY 204 N -1.42 -1.31 0.00 2.17 0.00 -1.15 -4.91 105.19 98.56 1p44 n GLY 204 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1p44 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p44 n GLY 205 N 1.42 1.34 0.29 -0.02 0.00 -0.40 -5.01 105.19 102.82 1p44 n GLY 205 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 2.07 -0.02 4.61 0.00 -1.67 -0.35 119.26 123.91 1p44 h ALA 206 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p44 h ALA 206 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p44 h ALA 206 CO 0.00 -0.10 -0.38 1.28 0.00 0.00 0.00 179.25 180.05 1p44 n LEU 207 N -4.50 1.95 0.00 0.00 4.32 -1.26 -4.99 117.00 112.51 1p44 n LEU 207 Ca 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 1p44 n LEU 207 Cb 0.19 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1p44 n LEU 207 CO 0.35 0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 1p44 n GLY 208 N 1.39 -2.64 0.05 -0.72 0.00 -0.14 -4.47 105.19 98.65 1p44 n GLY 208 Ca 0.11 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1p44 n GLY 208 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p44 h GLU 209 N 0.00 0.00 0.00 1.61 5.08 -1.95 -0.48 114.58 118.84 1p44 h GLU 209 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p44 h GLU 209 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p44 h GLU 209 CO 0.00 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.16 1p44 n GLU 210 N -4.28 0.00 0.00 2.33 -0.00 -1.26 -2.24 120.64 115.19 1p44 n GLU 210 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1p44 n GLU 210 Cb 0.09 -0.91 0.00 0.00 -0.00 0.00 0.00 31.44 30.63 1p44 n GLU 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1p44 n ALA 211 N 0.03 0.64 0.00 -1.84 0.00 -1.26 -4.85 120.51 113.24 1p44 n ALA 211 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p44 n ALA 211 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.82 -0.26 0.11 0.00 0.00 -0.19 0.07 105.19 104.09 1p44 n GLY 212 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 1.41 0.48 4.61 0.00 -0.95 -3.77 120.51 121.04 1p44 n ALA 213 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 53.44 52.18 1p44 n ALA 213 Cb 0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 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 0.01 -1.22 -0.78 0.00 4.20 -0.60 -0.71 115.11 116.01 1p44 h GLN 214 Ca -0.47 0.08 0.14 0.00 0.06 0.00 0.00 58.65 58.46 1p44 h GLN 214 Cb 2.10 0.28 -0.05 0.00 0.30 0.00 0.00 27.48 30.10 1p44 h GLN 214 CO 0.03 -0.82 0.51 0.82 -0.67 0.00 0.00 178.83 178.70 1p44 h ILE 215 N -1.27 0.83 0.88 2.54 1.08 -1.73 -1.54 117.51 118.31 1p44 h ILE 215 Ca -0.12 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 1p44 h ILE 215 Cb 1.00 0.27 0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1p44 h ILE 215 CO 0.16 0.10 -0.42 -0.61 -0.69 0.00 0.00 178.15 176.69 1p44 h GLN 216 N 0.52 -1.14 0.00 2.37 4.15 -1.53 -1.87 115.11 117.61 1p44 h GLN 216 Ca 0.38 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1p44 h GLN 216 Cb 0.73 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1p44 h GLN 216 CO -0.14 -0.76 0.10 1.37 -1.93 0.00 0.00 178.83 177.47 1p44 h LEU 217 N -1.30 0.00 -0.09 -2.39 8.10 -0.63 -0.22 115.31 118.79 1p44 h LEU 217 Ca -0.12 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.81 1p44 h LEU 217 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.13 1p44 h LEU 217 CO 0.20 0.00 -0.17 -0.07 -4.11 0.00 0.00 178.44 174.29 1p44 h LEU 218 N 0.00 0.30 -0.46 0.17 -0.00 -0.67 -2.45 115.31 112.20 1p44 h LEU 218 Ca 0.00 -0.56 -0.09 0.00 -0.00 0.00 0.00 57.88 57.23 1p44 h LEU 218 Cb 0.20 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1p44 h LEU 218 CO 0.00 0.81 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.86 1p44 h GLU 219 N -0.19 0.84 -0.56 1.13 5.08 -0.27 -2.80 114.58 117.81 1p44 h GLU 219 Ca 0.00 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1p44 h GLU 219 Cb 0.76 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1p44 h GLU 219 CO 0.04 0.93 0.23 0.93 -1.00 0.00 0.00 179.01 180.14 1p44 h GLU 220 N 0.69 0.81 -0.72 2.33 5.08 -1.51 -1.29 114.58 119.97 1p44 h GLU 220 Ca 0.12 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1p44 h GLU 220 Cb 0.58 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1p44 h GLU 220 CO 0.03 0.66 0.48 0.78 -1.00 0.00 0.00 179.01 179.96 1p44 h GLY 221 N 0.92 0.91 0.94 -3.84 0.00 -1.17 -1.03 103.07 99.81 1p44 h GLY 221 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1p44 h GLY 221 CO -0.02 0.17 -0.25 -0.25 0.00 0.00 0.00 176.54 176.20 1p44 h TRP 222 N 0.66 -0.64 0.00 5.60 2.91 -1.13 0.67 115.95 124.02 1p44 h TRP 222 Ca 0.33 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.28 1p44 h TRP 222 Cb 0.41 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 1p44 h TRP 222 CO -0.00 -0.39 -0.28 0.22 -1.03 0.00 0.00 178.44 176.96 1p44 h ASP 223 N -0.65 0.00 0.49 2.65 1.82 -1.48 0.33 116.42 119.58 1p44 h ASP 223 Ca -0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1p44 h ASP 223 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1p44 h ASP 223 CO 0.08 0.28 -0.24 -0.61 -1.61 0.00 0.00 179.24 177.14 1p44 h GLN 224 N 0.00 -0.64 -0.30 0.28 5.75 -0.63 -3.23 115.11 116.35 1p44 h GLN 224 Ca -0.00 0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1p44 h GLN 224 Cb 0.51 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1p44 h GLN 224 CO 0.04 -0.37 -0.32 0.00 -2.65 0.00 0.00 178.83 175.53 1p44 h ARG 225 N -0.80 0.64 -6.20 1.69 3.08 0.76 -3.45 114.38 110.11 1p44 h ARG 225 Ca -0.07 -0.29 -0.56 0.00 0.07 0.00 0.00 59.98 59.13 1p44 h ARG 225 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1p44 h ARG 225 CO 0.11 0.88 1.32 0.00 -1.07 0.00 0.00 179.97 181.21 1p44 s ALA 226 N -4.41 3.19 0.44 0.04 0.00 0.11 -4.65 121.76 116.48 1p44 s ALA 226 Ca -0.08 0.97 0.15 0.00 0.00 0.00 0.00 51.96 53.00 1p44 s ALA 226 Cb 0.13 -3.94 1.06 0.00 0.00 0.00 0.00 23.12 20.37 1p44 s ALA 226 CO 0.83 -2.13 1.96 -1.35 0.00 0.00 0.00 175.76 175.06 1p44 h PRO 227 N 12.44 0.38 -0.47 0.00 0.11 -1.78 -0.39 132.00 142.28 1p44 h PRO 227 Ca -0.44 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1p44 h PRO 227 Cb 1.23 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 1p44 h PRO 227 CO 0.96 0.25 0.10 0.44 -0.21 0.00 0.00 178.00 179.53 1p44 n ILE 228 N -4.47 2.62 -0.83 4.15 -5.35 -1.25 -5.08 119.36 109.15 1p44 n ILE 228 Ca 0.12 -2.06 0.11 0.00 -0.27 0.00 0.00 62.75 60.65 1p44 n ILE 228 Cb 0.45 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.61 -1.88 3.15 3.28 0.00 -0.16 -4.97 105.19 104.00 1p44 n GLY 229 Ca 0.33 -1.30 0.05 0.00 0.00 0.00 0.00 46.02 45.09 1p44 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p44 s TRP 230 N -2.06 -1.20 -0.23 1.61 -0.11 -1.26 -4.66 118.94 111.03 1p44 s TRP 230 Ca 0.00 1.25 -0.17 0.00 1.22 0.00 0.00 56.10 58.40 1p44 s TRP 230 Cb 0.00 0.41 -0.03 0.00 -1.50 0.00 0.00 33.47 32.35 1p44 s TRP 230 CO 0.00 -0.66 0.47 1.21 -4.62 0.00 0.00 176.95 173.35 1p44 s ASN 231 N 2.90 6.45 0.02 5.86 3.04 -1.26 -4.54 114.94 127.41 1p44 s ASN 231 Ca 0.13 0.54 0.25 0.00 0.04 0.00 0.00 52.86 53.82 1p44 s ASN 231 Cb -0.13 -2.26 0.57 0.00 -1.54 0.00 0.00 41.25 37.89 1p44 s ASN 231 CO -0.17 -0.19 1.47 1.15 -3.04 0.00 0.00 177.10 176.32 1p44 n MET 232 N 5.00 0.06 -2.91 0.43 0.00 -1.26 -4.17 117.12 114.27 1p44 n MET 232 Ca -0.06 0.02 -0.40 0.00 0.00 0.00 0.00 57.70 57.26 1p44 n MET 232 Cb 0.50 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.19 1p44 n MET 232 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1p44 n LYS 233 N -1.62 4.55 0.00 3.17 2.85 -1.26 -0.20 118.16 125.65 1p44 n LYS 233 Ca 0.05 -4.63 0.00 0.00 -1.05 0.00 0.00 58.31 52.68 1p44 n LYS 233 Cb 0.36 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.28 1p44 n LYS 233 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1p44 n ASP 234 N 0.66 0.00 0.04 -5.58 4.64 -1.26 -5.05 116.55 110.01 1p44 n ASP 234 Ca 0.34 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.64 1p44 n ASP 234 Cb 0.32 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.26 1p44 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p44 h ALA 235 N 0.00 0.43 -0.24 -1.67 0.00 -1.89 -3.41 119.26 112.48 1p44 h ALA 235 Ca 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 54.91 53.83 1p44 h ALA 235 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1p44 h ALA 235 CO 0.00 1.29 -0.07 2.41 0.00 0.00 0.00 179.25 182.88 1p44 n THR 236 N -3.31 -0.11 -0.19 0.00 -1.04 -1.26 0.12 114.28 108.49 1p44 n THR 236 Ca -0.10 0.56 0.09 0.00 -2.04 0.00 0.00 64.05 62.55 1p44 n THR 236 Cb 1.01 -0.76 0.39 0.00 -1.82 0.00 0.00 70.33 69.15 1p44 n THR 236 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1p44 h PRO 237 N 0.00 0.65 -0.29 -2.82 0.11 -1.98 0.50 132.00 128.16 1p44 h PRO 237 Ca 0.10 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 1p44 h PRO 237 Cb 0.16 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1p44 h PRO 237 CO -0.24 0.43 -0.39 0.28 -0.21 0.00 0.00 178.00 177.87 1p44 h VAL 238 N 0.67 1.29 -0.37 3.15 2.07 0.61 -2.96 116.25 120.71 1p44 h VAL 238 Ca 0.35 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1p44 h VAL 238 Cb 0.46 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1p44 h VAL 238 CO -0.13 0.51 -0.06 0.00 0.02 0.00 0.00 177.57 177.91 1p44 h ALA 239 N 0.69 1.20 -0.38 1.67 0.00 -1.03 -1.37 119.26 120.04 1p44 h ALA 239 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1p44 h ALA 239 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1p44 h ALA 239 CO 0.09 0.52 -0.32 0.87 0.00 0.00 0.00 179.25 180.41 1p44 h LYS 240 N 0.58 0.86 -0.67 0.00 1.57 -0.97 -1.14 116.57 116.80 1p44 h LYS 240 Ca 0.11 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1p44 h LYS 240 Cb 0.46 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1p44 h LYS 240 CO 0.02 1.05 0.31 1.15 -0.57 0.00 0.00 179.45 181.41 1p44 h THR 241 N 0.72 1.23 0.29 -0.16 2.02 -1.30 -0.11 112.91 115.59 1p44 h THR 241 Ca 0.08 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1p44 h THR 241 Cb 0.88 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1p44 h THR 241 CO 0.08 0.27 -0.14 0.58 0.37 0.00 0.00 175.52 176.68 1p44 h VAL 242 N 0.93 0.73 -0.94 3.16 2.07 -1.01 -2.44 116.25 118.74 1p44 h VAL 242 Ca 0.23 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.86 1p44 h VAL 242 Cb 0.14 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 1p44 h VAL 242 CO -0.03 0.01 0.60 0.00 0.02 0.00 0.00 177.57 178.18 1p44 h ALA 244 N 1.61 1.43 0.00 0.00 0.00 -0.58 -1.64 119.26 120.08 1p44 h ALA 244 Ca 0.50 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1p44 h ALA 244 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1p44 h ALA 244 CO -0.26 0.46 -0.47 1.25 0.00 0.00 0.00 179.25 180.23 1p44 h LEU 245 N 0.79 0.00 0.00 0.00 5.85 -0.24 -3.10 115.31 118.62 1p44 h LEU 245 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1p44 h LEU 245 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1p44 h LEU 245 CO -0.03 0.47 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.15 1p44 h LEU 246 N 0.00 0.00 0.00 2.25 3.38 -0.62 -3.44 115.31 116.88 1p44 h LEU 246 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1p44 h LEU 246 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1p44 h LEU 246 CO 0.06 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.09 1p44 n SER 247 N -2.31 0.00 -0.46 -0.43 3.41 -0.68 -4.67 113.62 108.47 1p44 n SER 247 Ca 0.04 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 1p44 n SER 247 Cb 0.45 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.00 2.96 -1.70 4.04 8.00 -1.26 -4.67 116.55 123.92 1p44 n ASP 248 Ca 0.00 -2.69 0.06 0.00 0.71 0.00 0.00 54.79 52.87 1p44 n ASP 248 Cb 0.00 -0.37 0.37 0.00 -0.02 0.00 0.00 41.12 41.10 1p44 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1p44 n TRP 249 N -0.59 1.89 -2.81 1.24 7.02 -1.26 -4.36 117.44 118.57 1p44 n TRP 249 Ca 0.15 -0.82 -0.10 0.00 -1.02 0.00 0.00 57.50 55.70 1p44 n TRP 249 Cb 0.63 -0.49 0.07 0.00 -2.42 0.00 0.00 31.31 29.09 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 0.29 -1.39 -1.06 -0.99 4.77 -1.26 -4.99 117.00 112.37 1p44 n LEU 250 Ca 0.28 -3.92 0.06 0.00 -0.03 0.00 0.00 56.01 52.40 1p44 n LEU 250 Cb 1.16 0.69 0.22 0.00 -2.33 0.00 0.00 43.42 43.16 1p44 n LEU 250 CO 0.30 2.05 0.65 -0.81 -1.33 0.00 0.00 177.39 178.26 1p44 n PRO 251 N 0.14 2.63 0.00 3.23 -0.04 -1.26 -3.82 135.00 135.88 1p44 n PRO 251 Ca 0.08 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1p44 n PRO 251 Cb 0.73 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1p44 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p44 n ALA 252 N 0.64 1.72 -2.89 0.55 0.00 -1.26 -5.00 120.51 114.27 1p44 n ALA 252 Ca 0.16 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 1p44 n ALA 252 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1p44 n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1p44 s THR 253 N -0.26 4.28 0.10 0.00 -1.32 -1.25 -5.09 115.64 112.11 1p44 s THR 253 Ca 0.00 -0.22 -0.24 0.00 -1.21 0.00 0.00 61.69 60.02 1p44 s THR 253 Cb 0.00 -2.90 0.07 0.00 -1.51 0.00 0.00 72.50 68.16 1p44 s THR 253 CO 0.00 0.48 0.60 -0.89 -2.21 0.00 0.00 174.62 172.61 1p44 s THR 254 N 0.31 0.01 -1.80 5.08 2.01 -1.26 -4.80 115.64 115.18 1p44 s THR 254 Ca -0.01 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1p44 s THR 254 Cb -0.13 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1p44 s THR 254 CO 0.02 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1p44 n GLY 255 N 0.01 1.66 2.26 4.40 0.00 0.43 -4.94 105.19 109.01 1p44 n GLY 255 Ca -0.18 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1p44 n GLY 255 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p44 n ASP 256 N -1.00 1.60 -3.77 1.61 8.00 -1.25 -4.59 116.55 117.15 1p44 n ASP 256 Ca -0.17 -2.00 -0.24 0.00 0.71 0.00 0.00 54.79 53.09 1p44 n ASP 256 Cb 0.60 -0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 41.38 1p44 n ASP 256 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1p44 s ILE 257 N -1.33 0.42 -0.31 0.53 1.01 -1.26 -1.92 121.20 118.34 1p44 s ILE 257 Ca 0.28 -0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1p44 s ILE 257 Cb -0.02 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1p44 s ILE 257 CO 0.18 0.18 0.16 -0.63 0.00 0.00 0.00 174.94 174.83 1p44 s ILE 258 N 1.95 4.73 -0.27 2.92 -1.09 -0.66 -4.96 121.20 123.82 1p44 s ILE 258 Ca 0.04 -0.34 -0.26 0.00 -2.23 0.00 0.00 60.65 57.86 1p44 s ILE 258 Cb -0.13 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1p44 s ILE 258 CO -0.06 0.09 0.91 -0.31 -1.23 0.00 0.00 174.94 174.34 1p44 s TYR 259 N 1.64 3.27 -0.78 3.97 1.51 -1.26 -1.88 117.35 123.81 1p44 s TYR 259 Ca 0.05 1.16 0.03 0.00 -1.01 0.00 0.00 57.07 57.30 1p44 s TYR 259 Cb -0.17 -3.24 0.28 0.00 -0.11 0.00 0.00 41.96 38.71 1p44 s TYR 259 CO 0.07 -0.51 1.02 0.00 -1.11 0.00 0.00 175.55 175.02 1p44 n ALA 260 N 6.27 4.52 -0.54 3.71 0.00 0.43 -4.72 120.51 130.18 1p44 n ALA 260 Ca 0.08 -4.78 0.01 0.00 0.00 0.00 0.00 53.44 48.75 1p44 n ALA 260 Cb 0.47 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 0.89 1.22 -0.88 0.00 3.85 -1.26 -3.31 116.55 117.05 1p44 n ASP 261 Ca 0.29 -1.73 -0.08 0.00 -0.71 0.00 0.00 54.79 52.56 1p44 n ASP 261 Cb 0.38 -0.04 -0.00 0.00 -1.35 0.00 0.00 41.12 40.10 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 -0.37 0.08 2.43 6.12 0.00 -1.26 -3.35 105.19 108.84 1p44 n GLY 262 Ca 0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.05 0.51 0.36 -0.02 0.00 -1.26 -2.74 105.19 100.99 1p44 n GLY 263 Ca -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 1.25 0.00 4.61 0.00 -1.82 -2.30 119.26 121.00 1p44 h ALA 264 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p44 h ALA 264 Cb 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1p44 h ALA 264 CO 0.09 0.63 0.00 -2.39 0.00 0.00 0.00 179.25 177.58 1p44 n HIS 265 N -4.35 0.00 -0.09 0.00 1.44 -1.26 -2.28 115.22 108.68 1p44 n HIS 265 Ca 0.10 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.92 1p44 n HIS 265 Cb 0.07 -0.45 0.26 0.00 0.12 0.00 0.00 29.99 29.99 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 -1.45 0.79 -4.42 0.61 -2.24 -0.87 -4.90 114.28 101.80 1p44 n THR 266 Ca 0.04 -0.90 -0.23 0.00 -2.27 0.00 0.00 64.05 60.70 1p44 n THR 266 Cb 0.13 0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.18 1.33 -0.06 -0.78 -1.52 -0.97 -5.06 119.66 111.42 1p44 s GLN 267 Ca 0.42 -0.29 -0.05 0.00 -1.95 0.00 0.00 55.36 53.49 1p44 s GLN 267 Cb 0.23 -1.16 -0.03 0.00 -0.22 0.00 0.00 33.01 31.83 1p44 s GLN 267 CO 0.31 -0.00 0.25 1.25 -0.25 0.00 0.00 175.29 176.84 1p44 h LEU 268 N 6.99 -0.16 -1.13 2.90 5.85 -1.91 -3.48 115.31 124.38 1p44 h LEU 268 Ca -0.34 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1p44 h LEU 268 Cb 1.17 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1p44 h LEU 268 CO 0.48 0.22 0.00 0.18 -0.34 0.00 0.00 178.44 178.98