#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c44 n SER 2 N 0.00 -0.19 -0.31 6.43 7.64 -1.26 -4.98 113.62 120.96 1c44 n SER 2 Ca 0.00 -1.41 0.08 0.00 1.01 0.00 0.00 58.87 58.56 1c44 n SER 2 Cb 0.00 -0.95 0.17 0.00 -1.01 0.00 0.00 64.21 62.42 1c44 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c44 n ALA 3 N -3.93 2.86 0.14 -0.43 0.00 -1.26 -4.66 120.51 113.22 1c44 n ALA 3 Ca -0.20 -2.90 0.02 0.00 0.00 0.00 0.00 53.44 50.35 1c44 n ALA 3 Cb 0.54 -0.37 0.10 0.00 0.00 0.00 0.00 19.45 19.72 1c44 n ALA 3 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1c44 h GLY 4 N 0.43 0.00 -1.28 0.00 0.00 -2.05 -3.44 103.07 96.73 1c44 h GLY 4 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1c44 h GLY 4 CO 0.00 0.00 0.10 2.09 0.00 0.00 0.00 176.54 178.73 1c44 n ASP 5 N -3.37 1.33 0.00 0.19 5.75 -1.26 -4.90 116.55 114.29 1c44 n ASP 5 Ca 0.01 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1c44 n ASP 5 Cb 0.70 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1c44 n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c44 n GLY 6 N -2.20 -1.42 3.77 6.12 0.00 -1.26 -4.97 105.19 105.23 1c44 n GLY 6 Ca 0.16 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1c44 n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c44 s PHE 7 N -1.19 2.81 0.39 1.61 0.40 -1.26 -4.65 117.98 116.09 1c44 s PHE 7 Ca 0.00 1.47 0.16 0.00 -0.60 0.00 0.00 56.93 57.97 1c44 s PHE 7 Cb 0.00 -3.54 0.93 0.00 0.51 0.00 0.00 43.02 40.92 1c44 s PHE 7 CO 0.00 -1.86 1.91 0.87 0.70 0.00 0.00 175.22 176.84 1c44 h LYS 8 N 2.29 0.00 0.00 0.44 1.57 -1.93 -1.87 116.57 117.07 1c44 h LYS 8 Ca -0.50 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1c44 h LYS 8 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1c44 h LYS 8 CO 0.61 0.27 -0.05 0.00 -0.57 0.00 0.00 179.45 179.71 1c44 h ALA 9 N 1.73 1.24 -0.77 3.86 0.00 -1.91 -2.27 119.26 121.14 1c44 h ALA 9 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1c44 h ALA 9 Cb 0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1c44 h ALA 9 CO 0.04 0.07 0.45 -0.97 0.00 0.00 0.00 179.25 178.83 1c44 h ASN 10 N 0.00 0.68 -0.30 0.00 -1.24 -1.72 0.11 115.58 113.12 1c44 h ASN 10 Ca -0.00 0.03 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 1c44 h ASN 10 Cb 0.20 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1c44 h ASN 10 CO 0.01 0.43 -0.20 0.25 -1.29 0.00 0.00 177.43 176.62 1c44 h LEU 11 N 0.81 0.70 -0.38 0.34 5.85 -1.57 -1.45 115.31 119.61 1c44 h LEU 11 Ca 0.35 -0.44 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1c44 h LEU 11 Cb 0.21 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1c44 h LEU 11 CO -0.19 0.98 -0.12 0.58 -0.34 0.00 0.00 178.44 179.36 1c44 h VAL 12 N 0.41 0.58 0.00 1.05 2.07 -1.32 0.16 116.25 119.20 1c44 h VAL 12 Ca 0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 1c44 h VAL 12 Cb 0.75 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1c44 h VAL 12 CO 0.06 0.00 -0.60 -0.26 0.02 0.00 0.00 177.57 176.79 1c44 h PHE 13 N -0.03 0.00 -0.31 1.57 -1.00 -0.86 -0.34 116.94 115.98 1c44 h PHE 13 Ca 0.18 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.84 1c44 h PHE 13 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1c44 h PHE 13 CO -0.36 0.60 -0.31 0.87 -1.61 0.00 0.00 178.31 177.50 1c44 h LYS 14 N 0.00 0.65 -0.33 1.51 1.57 -0.51 -0.43 116.57 119.03 1c44 h LYS 14 Ca -0.01 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.31 1c44 h LYS 14 Cb 1.22 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1c44 h LYS 14 CO 0.08 0.88 -0.49 0.93 -0.57 0.00 0.00 179.45 180.28 1c44 h GLU 15 N 0.56 0.91 -0.55 3.15 4.39 -0.28 -1.85 114.58 120.91 1c44 h GLU 15 Ca 0.06 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 1c44 h GLU 15 Cb 0.81 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1c44 h GLU 15 CO 0.07 1.18 0.34 0.82 -1.16 0.00 0.00 179.01 180.26 1c44 h ILE 16 N 0.71 1.16 -0.44 3.13 2.04 -0.96 -0.63 117.51 122.53 1c44 h ILE 16 Ca 0.03 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1c44 h ILE 16 Cb 1.09 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1c44 h ILE 16 CO 0.11 0.17 0.16 -0.08 0.00 0.00 0.00 178.15 178.51 1c44 h GLU 17 N 0.74 0.33 -0.68 2.37 4.81 -0.88 0.17 114.58 121.44 1c44 h GLU 17 Ca 0.20 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1c44 h GLU 17 Cb -0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1c44 h GLU 17 CO -0.04 0.22 0.22 0.87 -0.73 0.00 0.00 179.01 179.55 1c44 h LYS 18 N 0.34 1.06 -0.54 1.92 1.79 -0.94 -1.13 116.57 119.06 1c44 h LYS 18 Ca 0.21 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1c44 h LYS 18 Cb 0.19 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1c44 h LYS 18 CO -0.20 0.91 0.16 -0.22 -1.08 0.00 0.00 179.45 179.02 1c44 h LYS 19 N 0.99 0.81 0.00 3.15 1.63 0.01 -2.06 116.57 121.11 1c44 h LYS 19 Ca 0.22 -0.15 -0.12 0.00 -0.85 0.00 0.00 60.65 59.75 1c44 h LYS 19 Cb 0.29 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1c44 h LYS 19 CO -0.01 0.71 -0.57 -0.07 -3.45 0.00 0.00 179.45 176.06 1c44 h LEU 20 N 0.79 0.00 -0.50 5.20 3.38 -0.80 0.38 115.31 123.76 1c44 h LEU 20 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1c44 h LEU 20 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1c44 h LEU 20 CO -0.01 0.57 0.08 -0.33 0.09 0.00 0.00 178.44 178.84 1c44 h GLU 21 N 0.00 0.83 0.04 1.13 5.08 -0.77 0.25 114.58 121.14 1c44 h GLU 21 Ca -0.01 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1c44 h GLU 21 Cb 1.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1c44 h GLU 21 CO 0.07 0.83 -0.02 0.93 -1.00 0.00 0.00 179.01 179.82 1c44 h GLU 22 N 0.70 -0.05 0.00 2.33 3.07 -0.70 -3.41 114.58 116.52 1c44 h GLU 22 Ca 0.15 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1c44 h GLU 22 Cb 0.40 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 1c44 h GLU 22 CO 0.01 0.51 -0.41 0.39 -1.40 0.00 0.00 179.01 178.11 1c44 n GLU 23 N -4.83 0.92 -0.31 2.33 1.02 0.13 -4.89 120.64 115.01 1c44 n GLU 23 Ca -0.09 -2.40 0.06 0.00 -0.02 0.00 0.00 57.16 54.71 1c44 n GLU 23 Cb 0.29 -1.11 0.21 0.00 -0.02 0.00 0.00 31.44 30.82 1c44 n GLU 23 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1c44 h GLY 24 N 0.45 1.43 0.54 0.62 0.00 -0.62 -1.51 103.07 103.99 1c44 h GLY 24 Ca -0.04 -0.33 0.12 0.00 0.00 0.00 0.00 47.33 47.09 1c44 h GLY 24 CO 0.02 0.08 0.61 -2.09 0.00 0.00 0.00 176.54 175.15 1c44 h GLU 25 N 0.79 0.88 0.12 4.80 4.81 -1.78 0.14 114.58 124.34 1c44 h GLU 25 Ca 0.45 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1c44 h GLU 25 Cb 0.51 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1c44 h GLU 25 CO -0.29 0.58 -0.06 1.96 -0.73 0.00 0.00 179.01 180.47 1c44 h GLN 26 N 0.90 -0.16 -0.89 1.92 4.20 -1.65 -2.49 115.11 116.95 1c44 h GLN 26 Ca 0.47 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.21 1c44 h GLN 26 Cb 0.52 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1c44 h GLN 26 CO -0.23 0.05 0.58 0.74 -0.67 0.00 0.00 178.83 179.30 1c44 h PHE 27 N -0.35 1.09 -0.91 2.96 -1.00 -1.28 -1.75 116.94 115.71 1c44 h PHE 27 Ca -0.02 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.80 1c44 h PHE 27 Cb 0.28 -0.36 -0.05 0.00 3.61 0.00 0.00 35.95 39.43 1c44 h PHE 27 CO -0.01 0.64 0.60 0.28 -1.61 0.00 0.00 178.31 178.22 1c44 h VAL 28 N 1.14 1.23 -0.17 -0.55 2.07 -0.48 0.32 116.25 119.82 1c44 h VAL 28 Ca 0.35 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1c44 h VAL 28 Cb -0.04 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 1c44 h VAL 28 CO -0.10 0.22 -0.36 0.11 0.02 0.00 0.00 177.57 177.46 1c44 h LYS 29 N 1.23 0.53 0.00 1.57 1.57 -1.14 -2.49 116.57 117.84 1c44 h LYS 29 Ca 0.34 -0.35 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1c44 h LYS 29 Cb -0.14 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1c44 h LYS 29 CO -0.08 0.96 -0.91 0.87 -0.57 0.00 0.00 179.45 179.73 1c44 h LYS 30 N 0.17 0.00 0.00 3.15 1.57 -1.25 -3.40 116.57 116.82 1c44 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1c44 h LYS 30 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1c44 h LYS 30 CO 0.08 0.91 0.00 -0.89 -0.57 0.00 0.00 179.45 178.97 1c44 n ILE 31 N -3.40 0.00 -2.17 1.86 2.08 0.11 -4.99 119.36 112.85 1c44 n ILE 31 Ca 0.00 0.48 0.00 0.00 0.56 0.00 0.00 62.75 63.79 1c44 n ILE 31 Cb 0.88 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.29 1c44 n ILE 31 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1c44 n GLY 32 N 1.54 0.93 3.78 7.39 0.00 -0.14 -4.97 105.19 113.72 1c44 n GLY 32 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1c44 n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c44 s GLY 33 N -2.88 0.41 -0.13 -0.02 0.00 -0.84 -4.73 107.32 99.11 1c44 s GLY 33 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1c44 s GLY 33 CO 0.00 -0.35 -0.10 -0.42 0.00 0.00 0.00 173.10 172.23 1c44 s ILE 34 N -2.63 3.33 -0.06 0.90 1.01 -1.26 -0.58 121.20 121.91 1c44 s ILE 34 Ca 0.16 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1c44 s ILE 34 Cb -0.05 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1c44 s ILE 34 CO 0.12 0.52 -0.07 -0.36 0.00 0.00 0.00 174.94 175.14 1c44 s PHE 35 N 0.30 2.91 -0.18 3.97 0.40 0.34 -0.48 117.98 125.25 1c44 s PHE 35 Ca -0.08 0.00 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1c44 s PHE 35 Cb -0.15 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1c44 s PHE 35 CO 0.05 0.33 -0.04 0.00 0.70 0.00 0.00 175.22 176.25 1c44 s ALA 36 N -0.83 2.91 -0.36 5.36 0.00 -0.27 -0.29 121.76 128.29 1c44 s ALA 36 Ca 0.13 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 1c44 s ALA 36 Cb -0.11 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.44 1c44 s ALA 36 CO 0.02 -0.01 0.17 -0.06 0.00 0.00 0.00 175.76 175.88 1c44 s PHE 37 N 0.76 3.24 -0.44 0.00 0.40 0.88 -0.45 117.98 122.37 1c44 s PHE 37 Ca -0.02 -1.03 -0.18 0.00 -0.60 0.00 0.00 56.93 55.10 1c44 s PHE 37 Cb -0.15 -2.39 0.03 0.00 0.51 0.00 0.00 43.02 41.03 1c44 s PHE 37 CO 0.02 -0.65 0.47 0.15 0.70 0.00 0.00 175.22 175.91 1c44 s LYS 38 N 1.52 3.09 -0.34 0.44 1.02 0.48 -1.74 119.74 124.21 1c44 s LYS 38 Ca 0.01 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.05 1c44 s LYS 38 Cb -0.19 -4.01 -0.01 0.00 -0.52 0.00 0.00 37.83 33.10 1c44 s LYS 38 CO 0.06 -0.94 0.23 0.08 -0.92 0.00 0.00 175.35 173.86 1c44 s VAL 39 N 2.19 5.17 0.48 3.17 1.01 0.44 -2.13 120.40 130.73 1c44 s VAL 39 Ca 0.12 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1c44 s VAL 39 Cb -0.18 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1c44 s VAL 39 CO 0.13 -0.02 0.58 -0.54 0.00 0.00 0.00 175.10 175.24 1c44 s LYS 40 N 1.70 2.55 -1.42 2.72 -0.14 0.06 -1.32 119.74 123.89 1c44 s LYS 40 Ca 0.06 -1.50 -0.09 0.00 -1.36 0.00 0.00 55.97 53.07 1c44 s LYS 40 Cb -0.17 -2.58 0.04 0.00 -1.68 0.00 0.00 37.83 33.43 1c44 s LYS 40 CO 0.10 -0.47 1.03 -0.25 -0.76 0.00 0.00 175.35 175.00 1c44 n ASP 41 N -1.90 -4.76 -2.14 2.83 8.00 -1.18 -0.32 116.55 117.08 1c44 n ASP 41 Ca 0.08 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1c44 n ASP 41 Cb 0.61 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1c44 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c44 n GLY 42 N -1.76 -0.26 3.70 0.44 0.00 0.71 -4.32 105.19 103.71 1c44 n GLY 42 Ca -0.03 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1c44 n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1c44 n PRO 43 N -0.50 2.21 -1.14 1.61 -0.02 -1.26 -0.71 135.00 135.19 1c44 n PRO 43 Ca 0.00 0.78 -0.05 0.00 -2.02 0.00 0.00 63.50 62.22 1c44 n PRO 43 Cb 0.00 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.01 1c44 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c44 n GLY 44 N 1.77 0.53 1.67 -1.23 0.00 -1.26 -2.02 105.19 104.64 1c44 n GLY 44 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1c44 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c44 n GLY 45 N 0.00 0.57 3.78 -0.02 0.00 0.12 -5.02 105.19 104.62 1c44 n GLY 45 Ca -0.05 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1c44 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c44 s LYS 46 N -0.31 1.95 0.09 1.61 1.02 -0.86 -4.38 119.74 118.87 1c44 s LYS 46 Ca 0.00 0.75 0.07 0.00 0.02 0.00 0.00 55.97 56.81 1c44 s LYS 46 Cb 0.00 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 1c44 s LYS 46 CO 0.00 -1.74 -0.17 -1.21 -0.92 0.00 0.00 175.35 171.31 1c44 s GLU 47 N -5.07 0.98 0.08 1.68 2.02 -1.26 -0.20 118.70 116.92 1c44 s GLU 47 Ca 0.61 -1.08 -0.18 0.00 0.02 0.00 0.00 54.97 54.34 1c44 s GLU 47 Cb -0.15 -1.10 0.04 0.00 0.10 0.00 0.00 34.13 33.02 1c44 s GLU 47 CO 0.55 0.25 0.43 0.00 0.02 0.00 0.00 175.26 176.51 1c44 s ALA 48 N -1.31 -1.05 -0.02 5.21 0.00 -0.43 -4.99 121.76 119.17 1c44 s ALA 48 Ca 0.03 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1c44 s ALA 48 Cb -0.10 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1c44 s ALA 48 CO 0.03 -0.54 -0.23 0.99 0.00 0.00 0.00 175.76 176.01 1c44 s THR 49 N -2.97 1.85 -0.03 0.00 2.01 -1.26 -0.42 115.64 114.82 1c44 s THR 49 Ca -0.02 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.05 1c44 s THR 49 Cb 0.00 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1c44 s THR 49 CO -0.06 0.52 -0.24 0.26 -0.69 0.00 0.00 174.62 174.42 1c44 s TRP 50 N -0.49 2.20 -0.10 4.92 0.51 -0.71 -0.14 118.94 125.13 1c44 s TRP 50 Ca 0.07 -0.51 -0.02 0.00 -2.12 0.00 0.00 56.10 53.53 1c44 s TRP 50 Cb -0.10 -1.43 -0.03 0.00 -0.81 0.00 0.00 33.47 31.10 1c44 s TRP 50 CO -0.00 -0.10 -0.01 0.08 -0.51 0.00 0.00 176.95 176.40 1c44 s VAL 51 N -0.39 4.17 -0.26 4.03 1.01 -0.23 -0.08 120.40 128.64 1c44 s VAL 51 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1c44 s VAL 51 Cb -0.11 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.57 1c44 s VAL 51 CO 0.01 0.58 -0.09 -0.69 0.00 0.00 0.00 175.10 174.90 1c44 s VAL 52 N -0.62 2.33 -0.40 2.92 1.01 0.60 -0.31 120.40 125.93 1c44 s VAL 52 Ca 0.10 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 1c44 s VAL 52 Cb -0.12 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1c44 s VAL 52 CO 0.02 -0.01 0.64 -0.62 0.00 0.00 0.00 175.10 175.13 1c44 s ASP 53 N 1.14 6.37 -0.40 3.32 -1.08 0.34 -0.51 116.67 125.85 1c44 s ASP 53 Ca -0.08 -0.11 0.08 0.00 -0.52 0.00 0.00 52.55 51.92 1c44 s ASP 53 Cb -0.20 -2.32 0.43 0.00 -1.46 0.00 0.00 42.92 39.37 1c44 s ASP 53 CO -0.05 -0.69 1.09 1.33 0.52 0.00 0.00 175.17 177.37 1c44 n VAL 54 N 5.74 2.14 0.00 1.11 0.24 0.25 -1.10 118.33 126.71 1c44 n VAL 54 Ca -0.01 -4.52 0.00 0.00 -2.04 0.00 0.00 64.34 57.76 1c44 n VAL 54 Cb 0.48 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 1c44 n VAL 54 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1c44 n LYS 55 N -0.44 0.00 -4.32 7.34 4.81 -1.15 -0.97 118.16 123.43 1c44 n LYS 55 Ca 0.34 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.43 1c44 n LYS 55 Cb 0.72 -0.87 -0.10 0.00 0.02 0.00 0.00 35.03 34.81 1c44 n LYS 55 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1c44 s ASN 56 N -3.94 5.29 1.54 3.14 0.01 -1.26 -4.86 114.94 114.86 1c44 s ASN 56 Ca 0.00 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1c44 s ASN 56 Cb 0.00 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1c44 s ASN 56 CO 0.00 0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.54 1c44 n GLY 57 N 2.41 2.71 0.52 0.66 0.00 -1.26 -0.70 105.19 109.53 1c44 n GLY 57 Ca -0.18 0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1c44 n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c44 n LYS 58 N 7.27 2.49 0.00 1.61 5.02 -1.26 -4.46 118.16 128.83 1c44 n LYS 58 Ca 0.00 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1c44 n LYS 58 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1c44 n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c44 n GLY 59 N -0.57 -1.53 3.54 0.72 0.00 0.13 -3.97 105.19 103.50 1c44 n GLY 59 Ca 0.16 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1c44 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1c44 s SER 60 N -4.32 -0.38 -0.12 1.61 1.04 -0.26 -4.97 113.70 106.31 1c44 s SER 60 Ca 0.00 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.66 1c44 s SER 60 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1c44 s SER 60 CO 0.00 -0.50 -0.21 -0.69 0.98 0.00 0.00 173.24 172.82 1c44 s VAL 61 N -2.18 1.90 -0.50 5.02 1.01 -1.26 -0.51 120.40 123.89 1c44 s VAL 61 Ca 0.01 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1c44 s VAL 61 Cb -0.01 -1.68 0.13 0.00 0.00 0.00 0.00 36.38 34.82 1c44 s VAL 61 CO -0.03 0.52 0.24 -0.76 0.00 0.00 0.00 175.10 175.06 1c44 s LEU 62 N 0.71 4.24 0.33 3.92 1.02 0.58 -4.99 118.68 124.50 1c44 s LEU 62 Ca -0.11 -2.90 -0.29 0.00 0.02 0.00 0.00 54.13 50.85 1c44 s LEU 62 Cb -0.16 -1.60 -0.11 0.00 0.02 0.00 0.00 46.19 44.34 1c44 s LEU 62 CO 0.01 -0.25 1.56 -2.84 0.02 0.00 0.00 176.35 174.85 1c44 s PRO 63 N -0.13 4.10 -1.39 1.29 0.02 -1.26 -1.07 135.00 136.56 1c44 s PRO 63 Ca 0.16 2.60 -0.09 0.00 0.02 0.00 0.00 61.00 63.69 1c44 s PRO 63 Cb -0.25 -2.99 0.03 0.00 0.02 0.00 0.00 34.50 31.30 1c44 s PRO 63 CO -0.01 -0.61 1.13 0.09 -0.33 0.00 0.00 177.00 177.27 1c44 n ASN 64 N 1.37 -5.79 -4.87 2.53 5.03 0.80 -4.91 115.26 109.42 1c44 n ASN 64 Ca 0.05 -0.60 -0.37 0.00 0.87 0.00 0.00 54.58 54.53 1c44 n ASN 64 Cb 0.38 -4.78 -0.06 0.00 -1.02 0.00 0.00 39.78 34.30 1c44 n ASN 64 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1c44 s SER 65 N -3.38 6.47 -0.16 6.41 0.15 -1.19 -4.96 113.70 117.03 1c44 s SER 65 Ca 0.57 0.57 0.16 0.00 0.70 0.00 0.00 55.95 57.95 1c44 s SER 65 Cb -0.26 -2.10 0.73 0.00 -1.71 0.00 0.00 66.02 62.68 1c44 s SER 65 CO 0.75 0.39 1.65 -0.90 1.20 0.00 0.00 173.24 176.33 1c44 n ASP 66 N 1.92 5.00 -4.71 5.45 5.68 -1.26 -4.68 116.55 123.95 1c44 n ASP 66 Ca -0.19 -2.66 -0.42 0.00 -0.50 0.00 0.00 54.79 51.03 1c44 n ASP 66 Cb 0.54 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1c44 n ASP 66 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1c44 n LYS 67 N 0.79 2.12 -1.81 0.11 4.81 -1.26 -4.90 118.16 118.02 1c44 n LYS 67 Ca 0.26 0.75 -0.42 0.00 -0.87 0.00 0.00 58.31 58.03 1c44 n LYS 67 Cb 0.99 -2.40 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 1c44 n LYS 67 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1c44 s LYS 68 N -2.05 4.16 0.23 1.64 -2.85 -1.26 -4.94 119.74 114.68 1c44 s LYS 68 Ca 0.57 2.45 0.08 0.00 -1.00 0.00 0.00 55.97 58.08 1c44 s LYS 68 Cb -0.53 -3.88 -0.04 0.00 -2.06 0.00 0.00 37.83 31.32 1c44 s LYS 68 CO 0.61 -0.86 0.03 0.00 0.10 0.00 0.00 175.35 175.23 1c44 s ALA 69 N 3.59 3.25 0.23 0.59 0.00 -1.26 -4.97 121.76 123.18 1c44 s ALA 69 Ca 0.80 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 51.34 1c44 s ALA 69 Cb -0.41 -0.94 0.20 0.00 0.00 0.00 0.00 23.12 21.97 1c44 s ALA 69 CO 0.36 0.34 1.52 -0.44 0.00 0.00 0.00 175.76 177.54 1c44 h ASP 70 N 2.12 0.05 -3.65 0.00 3.32 -1.15 -3.45 116.42 113.66 1c44 h ASP 70 Ca -0.46 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.34 1c44 h ASP 70 Cb 1.23 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 1c44 h ASP 70 CO 0.60 0.75 -0.58 0.00 -1.72 0.00 0.00 179.24 178.28 1c44 s THR 72 N 0.47 1.91 -0.15 0.00 2.01 -0.21 -1.11 115.64 118.56 1c44 s THR 72 Ca -0.03 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1c44 s THR 72 Cb -0.05 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1c44 s THR 72 CO -0.02 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 1c44 s ILE 73 N 0.89 2.98 -0.12 1.82 1.01 0.40 -0.87 121.20 127.32 1c44 s ILE 73 Ca -0.06 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1c44 s ILE 73 Cb -0.15 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1c44 s ILE 73 CO -0.03 0.51 -0.22 -0.89 0.00 0.00 0.00 174.94 174.31 1c44 s THR 74 N 0.64 2.18 0.11 2.92 2.01 0.27 -0.39 115.64 123.39 1c44 s THR 74 Ca -0.07 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 1c44 s THR 74 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1c44 s THR 74 CO 0.03 0.55 0.33 -0.04 -0.69 0.00 0.00 174.62 174.79 1c44 s MET 75 N 0.49 0.99 0.49 4.92 -1.94 -0.91 -1.85 119.30 121.50 1c44 s MET 75 Ca -0.14 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 52.82 1c44 s MET 75 Cb -0.17 0.42 -0.07 0.00 2.01 0.00 0.00 34.83 37.02 1c44 s MET 75 CO 0.05 -0.37 1.12 0.00 -0.01 0.00 0.00 175.02 175.82 1c44 s ALA 76 N -3.83 2.86 0.19 3.03 0.00 -1.26 -0.76 121.76 121.98 1c44 s ALA 76 Ca 0.04 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 1c44 s ALA 76 Cb 0.03 -3.34 0.16 0.00 0.00 0.00 0.00 23.12 19.97 1c44 s ALA 76 CO -0.11 -0.61 1.63 0.22 0.00 0.00 0.00 175.76 176.89 1c44 h ASP 77 N 1.68 -0.62 -0.57 0.00 3.58 -0.86 0.11 116.42 119.74 1c44 h ASP 77 Ca -0.50 0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.08 1c44 h ASP 77 Cb 1.25 0.37 -0.03 0.00 1.72 0.00 0.00 39.33 42.64 1c44 h ASP 77 CO 0.59 -0.21 0.18 0.28 -2.88 0.00 0.00 179.24 177.20 1c44 h SER 78 N -0.05 0.86 -0.51 2.28 0.02 -1.85 -1.74 113.55 112.56 1c44 h SER 78 Ca 0.25 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 1c44 h SER 78 Cb 0.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1c44 h SER 78 CO -0.56 0.82 -0.12 0.44 -1.14 0.00 0.00 176.83 176.27 1c44 h ASP 79 N 0.89 0.99 -0.67 3.07 3.32 -1.59 -1.15 116.42 121.28 1c44 h ASP 79 Ca 0.20 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1c44 h ASP 79 Cb 0.28 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1c44 h ASP 79 CO -0.01 1.12 0.44 0.25 -1.72 0.00 0.00 179.24 179.32 1c44 h LEU 80 N 0.85 0.77 -0.62 1.55 5.85 -0.46 -0.02 115.31 123.23 1c44 h LEU 80 Ca 0.13 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1c44 h LEU 80 Cb 0.68 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1c44 h LEU 80 CO 0.05 0.57 0.39 0.25 -0.34 0.00 0.00 178.44 179.35 1c44 h LEU 81 N 0.91 0.74 -0.71 2.25 5.85 -1.14 -0.19 115.31 123.01 1c44 h LEU 81 Ca 0.24 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1c44 h LEU 81 Cb -0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1c44 h LEU 81 CO -0.05 0.57 0.31 0.00 -0.34 0.00 0.00 178.44 178.92 1c44 h ALA 82 N 1.20 0.93 -0.28 1.25 0.00 -0.85 -1.27 119.26 120.24 1c44 h ALA 82 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1c44 h ALA 82 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1c44 h ALA 82 CO -0.04 0.53 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 1c44 h LEU 83 N 1.01 0.49 -1.73 0.00 6.46 -0.72 0.16 115.31 120.99 1c44 h LEU 83 Ca 0.24 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1c44 h LEU 83 Cb 0.18 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1c44 h LEU 83 CO -0.02 0.69 -0.04 0.24 -0.62 0.00 0.00 178.44 178.68 1c44 h MET 84 N 0.29 0.00 -0.34 1.25 2.86 -0.73 -2.64 114.93 115.62 1c44 h MET 84 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1c44 h MET 84 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1c44 h MET 84 CO 0.02 0.04 0.00 0.25 1.06 0.00 0.00 176.91 178.27 1c44 n THR 85 N -3.18 2.03 -1.01 2.22 -2.24 -0.50 -4.42 114.28 107.18 1c44 n THR 85 Ca -0.00 -1.60 -0.00 0.00 -2.27 0.00 0.00 64.05 60.17 1c44 n THR 85 Cb 0.27 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1c44 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c44 n GLY 86 N -0.07 0.44 0.16 3.38 0.00 -1.00 -4.85 105.19 103.25 1c44 n GLY 86 Ca 0.20 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1c44 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c44 h LYS 87 N 0.75 0.00 -4.04 1.61 1.79 -1.20 -3.44 116.57 112.03 1c44 h LYS 87 Ca -0.01 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 1c44 h LYS 87 Cb 0.18 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.49 1c44 h LYS 87 CO 0.01 0.00 -0.78 1.41 -1.08 0.00 0.00 179.45 179.01 1c44 s MET 88 N -3.26 0.91 0.18 3.15 1.75 -1.05 -4.94 119.30 116.04 1c44 s MET 88 Ca 0.04 -0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 54.07 1c44 s MET 88 Cb 0.08 -0.94 -0.08 0.00 2.84 0.00 0.00 34.83 36.72 1c44 s MET 88 CO 0.72 -0.11 1.24 1.21 -0.65 0.00 0.00 175.02 177.42 1c44 s ASN 89 N 1.07 7.02 0.29 1.11 3.84 -1.26 -4.41 114.94 122.60 1c44 s ASN 89 Ca -0.09 2.27 -0.01 0.00 0.21 0.00 0.00 52.86 55.25 1c44 s ASN 89 Cb -0.14 -2.61 0.45 0.00 -0.55 0.00 0.00 41.25 38.40 1c44 s ASN 89 CO -0.01 -0.43 1.88 1.55 -2.79 0.00 0.00 177.10 177.30 1c44 h PRO 90 N 5.42 0.87 -0.25 0.43 0.13 -1.88 0.14 132.00 136.85 1c44 h PRO 90 Ca -0.44 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.50 1c44 h PRO 90 Cb 1.21 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1c44 h PRO 90 CO 0.76 0.71 -0.05 1.96 -0.23 0.00 0.00 178.00 181.15 1c44 h GLN 91 N 0.85 0.48 -0.79 0.86 4.20 -1.98 -2.39 115.11 116.35 1c44 h GLN 91 Ca 0.20 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.81 1c44 h GLN 91 Cb 0.17 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 1c44 h GLN 91 CO -0.02 0.69 0.45 0.77 -0.67 0.00 0.00 178.83 180.06 1c44 h SER 92 N 0.23 0.67 -0.56 1.46 0.02 -1.85 -0.16 113.55 113.36 1c44 h SER 92 Ca 0.06 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1c44 h SER 92 Cb 0.51 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 1c44 h SER 92 CO 0.02 0.41 0.21 0.00 -1.14 0.00 0.00 176.83 176.33 1c44 h ALA 93 N 1.41 0.70 0.23 3.77 0.00 -0.57 0.27 119.26 125.07 1c44 h ALA 93 Ca 0.36 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1c44 h ALA 93 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c44 h ALA 93 CO -0.21 -0.19 -0.11 0.35 0.00 0.00 0.00 179.25 179.09 1c44 h PHE 94 N 0.39 -0.29 0.00 0.00 3.57 -0.84 0.17 116.94 119.95 1c44 h PHE 94 Ca 0.27 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1c44 h PHE 94 Cb 0.31 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1c44 h PHE 94 CO -0.16 -0.11 -0.28 0.74 -2.23 0.00 0.00 178.31 176.26 1c44 h PHE 95 N -0.39 0.00 0.00 0.41 -1.00 -0.63 -1.78 116.94 113.55 1c44 h PHE 95 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1c44 h PHE 95 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1c44 h PHE 95 CO -0.04 0.28 0.00 1.04 -1.61 0.00 0.00 178.31 177.98 1c44 n GLN 96 N -3.74 0.73 -1.05 1.51 6.02 0.91 -4.90 117.38 116.85 1c44 n GLN 96 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1c44 n GLN 96 Cb 0.38 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1c44 n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1c44 n GLY 97 N 0.93 0.66 0.68 1.08 0.00 -0.67 -4.95 105.19 102.92 1c44 n GLY 97 Ca 0.19 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.53 1c44 n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c44 n LYS 98 N -1.99 2.06 -3.62 1.61 5.02 0.57 -4.94 118.16 116.87 1c44 n LYS 98 Ca 0.00 -1.83 -0.16 0.00 -2.02 0.00 0.00 58.31 54.31 1c44 n LYS 98 Cb 0.16 -1.30 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 1c44 n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1c44 s LEU 99 N -1.05 -0.18 -0.08 -0.35 2.96 -1.22 -4.41 118.68 114.35 1c44 s LEU 99 Ca 0.23 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 1c44 s LEU 99 Cb 0.13 0.48 -0.03 0.00 0.50 0.00 0.00 46.19 47.28 1c44 s LEU 99 CO 0.18 -0.26 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.13 1c44 s LYS 100 N 2.36 2.84 -0.02 1.98 2.20 -0.77 -4.77 119.74 123.55 1c44 s LYS 100 Ca 0.03 -0.55 -0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1c44 s LYS 100 Cb -0.13 -2.61 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1c44 s LYS 100 CO -0.08 0.62 0.03 0.42 -0.36 0.00 0.00 175.35 175.97 1c44 s ILE 101 N -0.68 -0.05 0.28 5.43 1.01 -1.26 -0.56 121.20 125.37 1c44 s ILE 101 Ca 0.10 0.22 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1c44 s ILE 101 Cb -0.11 -0.09 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 1c44 s ILE 101 CO 0.02 0.09 -0.05 0.42 0.00 0.00 0.00 174.94 175.42 1c44 s THR 102 N 1.09 1.59 0.00 2.92 -4.23 -0.05 -4.97 115.64 111.99 1c44 s THR 102 Ca -0.09 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 1c44 s THR 102 Cb -0.13 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1c44 s THR 102 CO -0.03 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1c44 n GLY 103 N -0.59 0.86 3.53 3.99 0.00 -1.26 -1.04 105.19 110.67 1c44 n GLY 103 Ca -0.05 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1c44 n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c44 s ASN 104 N -4.00 6.29 0.29 1.61 3.84 0.06 -4.90 114.94 118.12 1c44 s ASN 104 Ca 0.00 -0.41 0.06 0.00 0.21 0.00 0.00 52.86 52.72 1c44 s ASN 104 Cb 0.00 -2.49 0.44 0.00 -0.55 0.00 0.00 41.25 38.65 1c44 s ASN 104 CO 0.00 -1.48 1.69 0.24 -2.79 0.00 0.00 177.10 174.76 1c44 h MET 105 N 9.59 0.25 -0.56 0.43 2.86 -1.89 -2.83 114.93 122.79 1c44 h MET 105 Ca -0.27 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1c44 h MET 105 Cb 1.06 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 1c44 h MET 105 CO 1.18 0.63 0.28 0.78 1.06 0.00 0.00 176.91 180.83 1c44 h GLY 106 N 1.22 0.79 0.91 8.32 0.00 -2.00 -1.51 103.07 110.80 1c44 h GLY 106 Ca 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1c44 h GLY 106 CO 0.07 0.10 0.46 1.41 0.00 0.00 0.00 176.54 178.57 1c44 h LEU 107 N 0.53 0.76 -0.49 3.11 3.38 -1.88 0.37 115.31 121.09 1c44 h LEU 107 Ca 0.25 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1c44 h LEU 107 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1c44 h LEU 107 CO -0.18 0.53 0.26 0.00 0.09 0.00 0.00 178.44 179.14 1c44 h ALA 108 N 1.29 0.62 -0.63 1.53 0.00 -1.30 0.26 119.26 121.04 1c44 h ALA 108 Ca 0.28 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1c44 h ALA 108 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1c44 h ALA 108 CO -0.09 -0.07 0.14 0.52 0.00 0.00 0.00 179.25 179.75 1c44 h MET 109 N 0.52 0.99 -0.37 0.00 2.86 -0.60 0.37 114.93 118.70 1c44 h MET 109 Ca 0.21 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1c44 h MET 109 Cb 0.08 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1c44 h MET 109 CO -0.13 0.89 0.03 0.87 1.06 0.00 0.00 176.91 179.63 1c44 h LYS 110 N 0.95 0.57 0.14 1.72 1.57 -0.50 -2.40 116.57 118.62 1c44 h LYS 110 Ca 0.20 -0.12 -0.28 0.00 -1.87 0.00 0.00 60.65 58.58 1c44 h LYS 110 Cb 0.35 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.60 1c44 h LYS 110 CO 0.00 0.58 -1.20 1.25 -0.57 0.00 0.00 179.45 179.51 1c44 h LEU 111 N 0.55 0.80 -2.58 2.94 5.85 -0.45 -3.32 115.31 119.10 1c44 h LEU 111 Ca 0.12 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 57.98 1c44 h LEU 111 Cb 0.31 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1c44 h LEU 111 CO 0.01 1.58 -0.01 1.56 -0.34 0.00 0.00 178.44 181.24 1c44 h GLN 112 N 0.14 0.00 0.00 1.25 4.20 0.02 0.31 115.11 121.04 1c44 h GLN 112 Ca -0.19 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1c44 h GLN 112 Cb 1.89 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.67 1c44 h GLN 112 CO 0.23 0.01 -0.10 -0.91 -0.67 0.00 0.00 178.83 177.39 1c44 h ASN 113 N 0.00 0.00 0.00 1.46 2.35 -1.53 -2.35 115.58 115.51 1c44 h ASN 113 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1c44 h ASN 113 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1c44 h ASN 113 CO 0.00 0.10 0.01 0.18 -1.65 0.00 0.00 177.43 176.07 1c44 n LEU 114 N -3.66 0.00 0.00 1.61 4.77 0.11 -4.77 117.00 115.07 1c44 n LEU 114 Ca -0.02 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1c44 n LEU 114 Cb 0.22 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1c44 n LEU 114 CO 0.30 -0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.26 1c44 n GLN 115 N -1.07 0.00 0.05 3.23 6.02 -0.88 -3.11 117.38 121.61 1c44 n GLN 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1c44 n GLN 115 Cb 0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.27 1c44 n GLN 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1c44 n LEU 116 N 0.00 0.00 0.00 1.08 4.77 -1.26 -4.15 117.00 117.44 1c44 n LEU 116 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1c44 n LEU 116 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1c44 n LEU 116 CO 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 177.39 175.99 1c44 n GLN 117 N -0.72 0.00 -3.63 3.23 1.13 -1.23 -3.57 117.38 112.59 1c44 n GLN 117 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 1c44 n GLN 117 Cb 0.26 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.55 1c44 n GLN 117 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1c44 s PRO 118 N -0.52 3.96 0.00 -1.09 0.04 -1.18 -4.45 135.00 131.76 1c44 s PRO 118 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1c44 s PRO 118 Cb 0.00 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1c44 s PRO 118 CO 0.00 0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.94 1c44 n GLY 119 N 2.66 2.75 4.09 0.56 0.00 -1.26 -4.64 105.19 109.35 1c44 n GLY 119 Ca -0.15 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1c44 n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1c44 n LYS 120 N 0.00 -0.74 -0.01 1.61 4.81 -1.25 -4.79 118.16 117.79 1c44 n LYS 120 Ca 0.00 0.05 0.05 0.00 -0.87 0.00 0.00 58.31 57.54 1c44 n LYS 120 Cb 0.00 -2.79 -0.10 0.00 0.02 0.00 0.00 35.03 32.16 1c44 n LYS 120 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1c44 n ALA 121 N -4.30 2.38 -0.86 3.14 0.00 -1.26 -4.99 120.51 114.62 1c44 n ALA 121 Ca -0.23 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.65 1c44 n ALA 121 Cb 0.58 -0.40 -0.11 0.00 0.00 0.00 0.00 19.45 19.51 1c44 n ALA 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c44 n LYS 122 N -2.04 0.00 0.00 0.00 4.81 -1.26 -5.03 118.16 114.64 1c44 n LYS 122 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1c44 n LYS 122 Cb 0.43 -0.68 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1c44 n LYS 122 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46