#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f44 s THR 4 N 0.00 4.11 0.84 3.84 2.01 -1.26 -4.84 115.64 120.34 3f44 s THR 4 Ca 0.00 1.51 -0.11 0.00 0.31 0.00 0.00 61.69 63.40 3f44 s THR 4 Cb 0.00 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.65 3f44 s THR 4 CO 0.00 0.10 1.14 -2.84 -0.69 0.00 0.00 174.62 172.33 3f44 s PRO 5 N 1.25 1.53 -0.17 4.92 0.02 -1.21 -4.25 135.00 137.10 3f44 s PRO 5 Ca 0.58 1.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.02 3f44 s PRO 5 Cb -0.28 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3f44 s PRO 5 CO 0.28 -2.24 0.05 0.42 -0.33 0.00 0.00 177.00 175.18 3f44 s ILE 6 N -2.60 4.71 -0.15 2.83 -1.09 -0.13 -4.57 121.20 120.20 3f44 s ILE 6 Ca 0.67 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.99 3f44 s ILE 6 Cb -0.22 -3.11 0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3f44 s ILE 6 CO 0.55 0.48 0.05 0.12 -1.23 0.00 0.00 174.94 174.90 3f44 s PHE 7 N 0.25 0.64 0.04 3.97 5.36 -1.26 -0.99 117.98 126.00 3f44 s PHE 7 Ca 0.03 -0.48 0.05 0.00 -0.96 0.00 0.00 56.93 55.57 3f44 s PHE 7 Cb -0.12 -0.85 -0.02 0.00 -0.34 0.00 0.00 43.02 41.69 3f44 s PHE 7 CO 0.01 -0.50 -0.14 0.15 -1.46 0.00 0.00 175.22 173.28 3f44 s LYS 8 N 1.99 0.94 -0.10 10.12 1.02 -0.59 -1.11 119.74 132.01 3f44 s LYS 8 Ca 0.01 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.25 3f44 s LYS 8 Cb -0.15 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 3f44 s LYS 8 CO -0.07 0.24 -0.15 0.42 -0.92 0.00 0.00 175.35 174.86 3f44 s ILE 9 N -0.87 1.43 -0.22 2.17 1.01 -0.53 -1.70 121.20 122.49 3f44 s ILE 9 Ca 0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3f44 s ILE 9 Cb -0.08 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3f44 s ILE 9 CO 0.01 0.43 -0.09 -0.54 0.00 0.00 0.00 174.94 174.75 3f44 s LYS 10 N 0.86 3.12 -0.32 2.79 1.02 0.69 -0.42 119.74 127.47 3f44 s LYS 10 Ca -0.10 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 54.92 3f44 s LYS 10 Cb -0.15 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 3f44 s LYS 10 CO 0.01 -0.26 0.59 0.21 -0.92 0.00 0.00 175.35 174.97 3f44 s LYS 11 N 1.39 3.81 -0.23 1.68 2.20 0.13 -0.61 119.74 128.10 3f44 s LYS 11 Ca 0.04 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 3f44 s LYS 11 Cb -0.15 -3.75 0.05 0.00 -1.51 0.00 0.00 37.83 32.47 3f44 s LYS 11 CO -0.06 -0.60 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.72 3f44 s LEU 12 N 2.54 2.90 -0.35 5.43 1.43 0.85 -1.04 118.68 130.44 3f44 s LEU 12 Ca 0.23 -1.17 -0.19 0.00 -1.03 0.00 0.00 54.13 51.97 3f44 s LEU 12 Cb -0.15 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 3f44 s LEU 12 CO 0.12 -0.17 0.55 -0.89 0.23 0.00 0.00 176.35 176.20 3f44 s THR 13 N 1.23 4.97 -0.03 5.49 2.01 -0.01 -0.93 115.64 128.38 3f44 s THR 13 Ca -0.05 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3f44 s THR 13 Cb -0.18 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.34 3f44 s THR 13 CO -0.07 -0.26 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.94 3f44 s ILE 14 N 2.50 0.37 0.30 1.82 1.01 0.32 -0.73 121.20 126.79 3f44 s ILE 14 Ca 0.20 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 3f44 s ILE 14 Cb -0.15 -0.39 -0.13 0.00 0.01 0.00 0.00 42.46 41.79 3f44 s ILE 14 CO 0.14 0.16 1.17 0.00 0.00 0.00 0.00 174.94 176.41 3f44 n ALA 15 N 3.70 0.48 0.07 9.38 0.00 -1.26 -4.35 120.51 128.53 3f44 n ALA 15 Ca -0.22 0.39 0.17 0.00 0.00 0.00 0.00 53.44 53.78 3f44 n ALA 15 Cb 0.53 -2.14 0.68 0.00 0.00 0.00 0.00 19.45 18.52 3f44 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3f44 h GLU 16 N 2.54 0.00 0.00 0.00 5.08 -1.91 0.62 114.58 120.92 3f44 h GLU 16 Ca -0.43 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3f44 h GLU 16 Cb 1.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3f44 h GLU 16 CO 0.64 0.00 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.65 3f44 h ASN 17 N 0.00 0.00 -0.10 1.42 2.35 -1.99 -2.69 115.58 114.57 3f44 h ASN 17 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3f44 h ASN 17 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3f44 h ASN 17 CO -0.00 0.08 0.00 0.47 -1.65 0.00 0.00 177.43 176.33 3f44 n ASP 18 N -4.25 2.67 0.11 5.81 8.00 0.20 -4.56 116.55 124.52 3f44 n ASP 18 Ca -0.03 -1.87 0.03 0.00 0.71 0.00 0.00 54.79 53.62 3f44 n ASP 18 Cb 0.16 -0.05 0.40 0.00 -0.02 0.00 0.00 41.12 41.61 3f44 n ASP 18 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3f44 h ARG 19 N 4.00 0.27 -0.66 -1.24 2.43 -1.33 -2.51 114.38 115.34 3f44 h ARG 19 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3f44 h ARG 19 Cb 0.86 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 3f44 h ARG 19 CO 0.00 0.37 0.36 1.03 -1.51 0.00 0.00 179.97 180.21 3f44 h SER 20 N 0.26 0.82 -0.38 -3.80 0.87 -1.80 0.29 113.55 109.81 3f44 h SER 20 Ca 0.06 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3f44 h SER 20 Cb 0.32 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3f44 h SER 20 CO 0.02 0.69 0.07 -0.08 -0.53 0.00 0.00 176.83 177.00 3f44 h GLU 21 N 0.90 0.62 -0.14 2.24 4.81 -1.84 -1.26 114.58 119.90 3f44 h GLU 21 Ca 0.23 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3f44 h GLU 21 Cb 0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3f44 h GLU 21 CO -0.04 0.67 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.95 3f44 h TYR 22 N 0.47 -0.08 -0.82 0.92 3.20 -1.02 -2.63 116.97 117.01 3f44 h TYR 22 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3f44 h TYR 22 Cb 0.34 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3f44 h TYR 22 CO 0.02 -0.06 0.48 0.82 -1.64 0.00 0.00 178.16 177.78 3f44 h ILE 23 N 0.00 1.23 -0.19 1.81 2.04 -0.30 0.14 117.51 122.24 3f44 h ILE 23 Ca 0.07 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3f44 h ILE 23 Cb 0.10 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 3f44 h ILE 23 CO -0.15 0.25 -0.12 -0.09 0.00 0.00 0.00 178.15 178.03 3f44 h ARG 24 N 1.12 -0.11 -0.02 2.37 2.43 -1.05 0.23 114.38 119.35 3f44 h ARG 24 Ca 0.29 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.32 3f44 h ARG 24 Cb -0.03 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3f44 h ARG 24 CO -0.05 -0.08 -0.66 1.88 -1.51 0.00 0.00 179.97 179.55 3f44 h TYR 25 N -0.12 0.11 -0.50 2.20 0.05 -1.10 -2.01 116.97 115.60 3f44 h TYR 25 Ca 0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3f44 h TYR 25 Cb 0.28 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3f44 h TYR 25 CO -0.27 0.72 0.23 0.00 -1.05 0.00 0.00 178.16 177.78 3f44 h ALA 26 N 1.27 0.65 -0.48 3.88 0.00 -0.32 -1.15 119.26 123.12 3f44 h ALA 26 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3f44 h ALA 26 Cb 1.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3f44 h ALA 26 CO 0.09 0.23 0.19 0.93 0.00 0.00 0.00 179.25 180.69 3f44 h GLU 27 N 0.67 0.71 -0.66 0.00 5.08 -0.41 -2.94 114.58 117.03 3f44 h GLU 27 Ca 0.17 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3f44 h GLU 27 Cb 0.15 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3f44 h GLU 27 CO -0.02 0.64 0.25 0.87 -1.00 0.00 0.00 179.01 179.76 3f44 h LYS 28 N 0.63 1.00 0.00 2.33 1.57 -1.29 0.77 116.57 121.58 3f44 h LYS 28 Ca 0.16 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3f44 h LYS 28 Cb 0.20 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3f44 h LYS 28 CO -0.01 0.84 0.00 -1.71 -0.57 0.00 0.00 179.45 178.00 3f44 n ASN 29 N -4.39 0.00 0.00 0.86 5.15 -0.44 -0.57 115.26 115.87 3f44 n ASN 29 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 3f44 n ASN 29 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 3f44 n ASN 29 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3f44 n HIS 31 N 0.08 0.00 0.63 1.20 -0.00 0.26 -1.90 115.22 115.50 3f44 n HIS 31 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 3f44 n HIS 31 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 29.99 30.39 3f44 n HIS 31 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3f44 n ASP 32 N 0.00 0.82 -0.01 0.26 9.92 0.27 -3.93 116.55 123.87 3f44 n ASP 32 Ca 0.00 0.57 -0.19 0.00 -0.53 0.00 0.00 54.79 54.64 3f44 n ASP 32 Cb 0.00 -0.79 -0.14 0.00 -0.64 0.00 0.00 41.12 39.56 3f44 n ASP 32 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3f44 n SER 33 N -2.26 1.85 -4.13 -2.24 7.64 -0.80 -4.53 113.62 109.15 3f44 n SER 33 Ca 0.06 0.21 -0.32 0.00 1.01 0.00 0.00 58.87 59.83 3f44 n SER 33 Cb 0.43 -0.64 -0.16 0.00 -1.01 0.00 0.00 64.21 62.82 3f44 n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3f44 s ILE 34 N -2.56 1.93 -2.27 0.44 1.01 -1.25 -0.71 121.20 117.79 3f44 s ILE 34 Ca -0.20 -0.89 0.20 0.00 0.00 0.00 0.00 60.65 59.76 3f44 s ILE 34 Cb 0.07 -1.73 0.45 0.00 0.01 0.00 0.00 42.46 41.26 3f44 s ILE 34 CO 0.77 0.52 1.53 -0.81 0.00 0.00 0.00 174.94 176.95 3f44 n PRO 35 N 4.26 1.74 -0.35 2.79 -0.04 -1.26 -4.68 135.00 137.46 3f44 n PRO 35 Ca -0.20 -1.11 0.08 0.00 -0.04 0.00 0.00 63.50 62.23 3f44 n PRO 35 Cb 0.51 -1.39 0.24 0.00 -0.04 0.00 0.00 33.50 32.82 3f44 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f44 h ALA 36 N 4.04 1.48 -2.20 0.55 0.00 -1.78 -3.36 119.26 117.99 3f44 h ALA 36 Ca 0.00 0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.29 3f44 h ALA 36 Cb 0.49 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 17.96 3f44 h ALA 36 CO 0.00 0.14 0.10 -1.21 0.00 0.00 0.00 179.25 178.28 3f44 s GLU 37 N -5.95 3.26 0.38 0.00 2.02 0.11 -4.95 118.70 113.58 3f44 s GLU 37 Ca -0.12 -0.41 0.11 0.00 0.02 0.00 0.00 54.97 54.57 3f44 s GLU 37 Cb 0.22 -3.95 0.90 0.00 0.10 0.00 0.00 34.13 31.40 3f44 s GLU 37 CO 0.80 -1.00 1.91 1.49 0.02 0.00 0.00 175.26 178.48 3f44 h GLU 38 N 8.87 0.58 -0.01 1.61 4.81 -1.86 -2.28 114.58 126.29 3f44 h GLU 38 Ca -0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3f44 h GLU 38 Cb 1.10 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3f44 h GLU 38 CO 0.88 0.38 -0.06 0.41 -0.73 0.00 0.00 179.01 179.90 3f44 n GLY 39 N -1.47 -0.29 3.53 1.92 0.00 -1.26 -4.82 105.19 102.79 3f44 n GLY 39 Ca 0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3f44 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f44 s THR 40 N -2.14 4.96 -0.13 2.61 2.01 -0.86 -0.54 115.64 121.56 3f44 s THR 40 Ca 0.35 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.54 3f44 s THR 40 Cb 0.21 -4.07 -0.23 0.00 0.01 0.00 0.00 72.50 68.41 3f44 s THR 40 CO 0.39 -0.41 0.32 0.18 -0.69 0.00 0.00 174.62 174.41 3f44 n LEU 41 N 5.91 1.36 -3.66 4.42 4.77 -0.07 -4.51 117.00 125.21 3f44 n LEU 41 Ca -0.04 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3f44 n LEU 41 Cb 0.48 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 3f44 n LEU 41 CO 0.48 0.60 0.29 -0.22 -1.33 0.00 0.00 177.39 177.22 3f44 s LEU 42 N -6.22 -0.48 -0.03 2.23 0.20 -0.99 -1.22 118.68 112.17 3f44 s LEU 42 Ca -0.14 1.28 0.01 0.00 0.69 0.00 0.00 54.13 55.96 3f44 s LEU 42 Cb 0.07 2.11 0.02 0.00 -0.43 0.00 0.00 46.19 47.96 3f44 s LEU 42 CO 0.78 -0.22 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.98 3f44 s ILE 43 N 0.74 0.29 0.16 6.68 -1.09 -0.83 -1.35 121.20 125.80 3f44 s ILE 43 Ca -0.03 -0.00 -0.24 0.00 -2.23 0.00 0.00 60.65 58.14 3f44 s ILE 43 Cb -0.05 -0.35 0.06 0.00 -1.58 0.00 0.00 42.46 40.54 3f44 s ILE 43 CO -0.05 0.16 0.87 -0.83 -1.23 0.00 0.00 174.94 173.86 3f44 s GLY 44 N 0.84 -0.26 -0.22 6.18 0.00 -0.48 -1.20 107.32 112.18 3f44 s GLY 44 Ca -0.09 0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 3f44 s GLY 44 CO -0.01 0.04 0.58 -0.45 0.00 0.00 0.00 173.10 173.25 3f44 s SER 45 N -2.86 -0.60 0.02 1.64 0.15 -0.03 -0.23 113.70 111.79 3f44 s SER 45 Ca 0.10 1.16 -0.06 0.00 0.70 0.00 0.00 55.95 57.85 3f44 s SER 45 Cb -0.02 1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 65.46 3f44 s SER 45 CO 0.01 -0.20 0.11 -0.83 1.20 0.00 0.00 173.24 173.52 3f44 s GLY 46 N 0.34 0.11 0.07 9.45 0.00 -0.72 -0.73 107.32 115.84 3f44 s GLY 46 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.43 3f44 s GLY 46 CO 0.00 -0.46 0.02 -2.38 0.00 0.00 0.00 173.10 170.28 3f44 s HIS 47 N -1.82 3.05 -0.02 1.90 -3.43 -0.55 -0.20 115.29 114.23 3f44 s HIS 47 Ca -0.12 0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 53.86 3f44 s HIS 47 Cb -0.06 -1.58 -0.06 0.00 -1.43 0.00 0.00 32.58 29.45 3f44 s HIS 47 CO -0.01 0.49 1.53 0.34 -2.00 0.00 0.00 174.74 175.09 3f44 s ASP 48 N -2.17 6.74 0.59 7.38 -1.08 -0.07 -0.27 116.67 127.80 3f44 s ASP 48 Ca 0.25 2.19 0.35 0.00 -0.52 0.00 0.00 52.55 54.83 3f44 s ASP 48 Cb -0.12 -2.55 1.86 0.00 -1.46 0.00 0.00 42.92 40.65 3f44 s ASP 48 CO 0.17 -0.83 2.20 -2.24 0.52 0.00 0.00 175.17 174.99 3f44 h ASP 49 N 8.57 0.00 0.50 -0.34 2.03 -1.42 -2.14 116.42 123.62 3f44 h ASP 49 Ca -0.38 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.91 3f44 h ASP 49 Cb 1.18 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.67 3f44 h ASP 49 CO 0.93 0.04 -1.50 0.00 -1.03 0.00 0.00 179.24 177.68 3f44 n ALA 50 N -2.18 2.64 -3.28 4.15 0.00 -1.26 -4.71 120.51 115.87 3f44 n ALA 50 Ca -0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 3f44 n ALA 50 Cb 0.16 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 3f44 n ALA 50 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3f44 s HIS 51 N -3.42 0.56 0.63 0.00 3.76 -0.84 -5.02 115.29 110.94 3f44 s HIS 51 Ca -0.04 -1.97 0.29 0.00 -0.15 0.00 0.00 55.06 53.20 3f44 s HIS 51 Cb 0.12 -0.68 1.57 0.00 1.11 0.00 0.00 32.58 34.70 3f44 s HIS 51 CO 0.85 -0.91 1.93 0.78 -0.85 0.00 0.00 174.74 176.54 3f44 h GLY 52 N 5.58 0.00 2.00 -2.22 0.00 -1.75 0.17 103.07 106.85 3f44 h GLY 52 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 3f44 h GLY 52 CO 0.30 0.00 -0.22 0.83 0.00 0.00 0.00 176.54 177.45 3f44 h GLU 53 N 0.00 0.00 -5.55 4.80 5.08 -1.86 -3.44 114.58 113.62 3f44 h GLU 53 Ca 0.10 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.84 3f44 h GLU 53 Cb 0.86 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.98 3f44 h GLU 53 CO -0.00 0.22 0.19 -0.51 -1.00 0.00 0.00 179.01 177.91 3f44 s ASP 54 N -6.26 6.51 -0.10 1.42 1.01 0.05 -0.52 116.67 118.78 3f44 s ASP 54 Ca -0.01 0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.65 3f44 s ASP 54 Cb 0.12 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 3f44 s ASP 54 CO 0.63 -0.53 -0.05 0.20 0.21 0.00 0.00 175.17 175.63 3f44 s ASN 55 N 1.67 4.80 -0.29 0.27 0.01 -0.11 -0.89 114.94 120.41 3f44 s ASN 55 Ca 0.26 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.39 3f44 s ASN 55 Cb -0.15 -1.42 0.06 0.00 0.41 0.00 0.00 41.25 40.15 3f44 s ASN 55 CO 0.13 0.30 -0.03 -0.31 -1.51 0.00 0.00 177.10 175.68 3f44 s TYR 56 N -0.45 3.29 -0.21 2.20 1.51 0.72 -0.10 117.35 124.31 3f44 s TYR 56 Ca 0.07 -2.09 -0.14 0.00 -1.01 0.00 0.00 57.07 53.90 3f44 s TYR 56 Cb -0.12 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 3f44 s TYR 56 CO 0.02 -0.84 0.31 -2.00 -1.11 0.00 0.00 175.55 171.93 3f44 s GLU 57 N 1.18 4.16 -0.11 -0.62 2.56 0.22 -1.75 118.70 124.34 3f44 s GLU 57 Ca -0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.97 54.97 3f44 s GLU 57 Cb -0.20 -3.52 -0.01 0.00 2.00 0.00 0.00 34.13 32.41 3f44 s GLU 57 CO -0.03 0.04 -0.19 0.42 -0.56 0.00 0.00 175.26 174.94 3f44 s ILE 58 N 1.10 2.47 -0.02 -3.70 1.01 0.68 -0.23 121.20 122.52 3f44 s ILE 58 Ca 0.15 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3f44 s ILE 58 Cb -0.14 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3f44 s ILE 58 CO 0.06 0.54 -0.02 -1.61 0.00 0.00 0.00 174.94 173.92 3f44 s GLU 59 N 0.35 0.31 -0.07 2.79 2.02 -0.69 -1.38 118.70 122.03 3f44 s GLU 59 Ca -0.15 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.81 3f44 s GLU 59 Cb -0.17 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.70 3f44 s GLU 59 CO 0.07 -0.02 -0.09 0.08 0.02 0.00 0.00 175.26 175.33 3f44 s VAL 60 N 0.42 0.92 0.15 2.63 1.01 -0.45 -1.54 120.40 123.55 3f44 s VAL 60 Ca -0.04 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3f44 s VAL 60 Cb -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3f44 s VAL 60 CO -0.01 0.32 -0.18 -0.36 0.00 0.00 0.00 175.10 174.87 3f44 s PHE 61 N 0.99 1.77 0.39 5.22 0.08 -0.16 -0.89 117.98 125.37 3f44 s PHE 61 Ca -0.09 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.55 3f44 s PHE 61 Cb -0.15 -0.90 0.78 0.00 -0.57 0.00 0.00 43.02 42.19 3f44 s PHE 61 CO 0.00 0.29 2.02 -0.09 -0.10 0.00 0.00 175.22 177.34 3f44 h ARG 62 N 3.38 0.65 -2.50 0.44 1.12 -1.13 -0.32 114.38 116.03 3f44 h ARG 62 Ca -0.42 -0.04 0.17 0.00 -1.11 0.00 0.00 59.98 58.58 3f44 h ARG 62 Cb 1.20 -0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 30.98 3f44 h ARG 62 CO 0.49 0.43 0.59 0.54 -3.11 0.00 0.00 179.97 178.92 3f44 s ASN 63 N -6.49 -0.01 0.26 -3.80 2.20 -1.26 -3.31 114.94 102.53 3f44 s ASN 63 Ca -0.09 -0.64 -0.03 0.00 -0.94 0.00 0.00 52.86 51.16 3f44 s ASN 63 Cb 0.18 0.49 0.39 0.00 -2.00 0.00 0.00 41.25 40.30 3f44 s ASN 63 CO 0.75 -0.96 1.88 0.50 -2.94 0.00 0.00 177.10 176.32 3f44 h LYS 64 N 2.00 1.10 -0.69 3.55 1.63 -1.90 -1.60 116.57 120.66 3f44 h LYS 64 Ca -0.27 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 3f44 h LYS 64 Cb 1.22 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.57 3f44 h LYS 64 CO 0.35 0.73 0.44 0.78 -3.45 0.00 0.00 179.45 178.30 3f44 h GLY 65 N 1.13 0.98 1.06 5.01 0.00 -1.96 -1.16 103.07 108.14 3f44 h GLY 65 Ca 0.42 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3f44 h GLY 65 CO -0.17 0.37 0.18 0.00 0.00 0.00 0.00 176.54 176.92 3f44 h ALA 66 N 1.24 0.93 -0.53 3.60 0.00 -1.76 -2.13 119.26 120.61 3f44 h ALA 66 Ca 0.25 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3f44 h ALA 66 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3f44 h ALA 66 CO -0.05 0.65 0.33 1.49 0.00 0.00 0.00 179.25 181.66 3f44 h GLU 67 N 1.06 0.63 -0.90 0.00 4.81 -0.82 -1.60 114.58 117.76 3f44 h GLU 67 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3f44 h GLU 67 Cb 0.36 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3f44 h GLU 67 CO 0.00 0.42 0.51 -0.44 -0.73 0.00 0.00 179.01 178.77 3f44 h ASP 68 N 0.65 1.11 -0.70 1.04 3.32 -0.92 -0.63 116.42 120.30 3f44 h ASP 68 Ca 0.21 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3f44 h ASP 68 Cb -0.00 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3f44 h ASP 68 CO -0.08 0.88 0.32 -0.07 -1.72 0.00 0.00 179.24 178.57 3f44 h LEU 69 N 1.25 0.93 -0.05 1.55 3.38 -1.08 -1.94 115.31 119.35 3f44 h LEU 69 Ca 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3f44 h LEU 69 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3f44 h LEU 69 CO -0.05 0.81 0.03 -0.74 0.09 0.00 0.00 178.44 178.58 3f44 h HIS 70 N 0.98 0.06 -0.57 1.13 2.76 -0.83 -3.01 115.15 115.67 3f44 h HIS 70 Ca 0.24 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 3f44 h HIS 70 Cb 0.14 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 3f44 h HIS 70 CO 0.01 0.05 0.38 0.82 -1.30 0.00 0.00 177.93 177.89 3f44 h ILE 71 N 0.06 0.92 0.00 6.26 2.04 -0.82 -0.74 117.51 125.24 3f44 h ILE 71 Ca 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3f44 h ILE 71 Cb -0.00 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3f44 h ILE 71 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3f44 n ALA 72 N -2.51 1.99 -1.77 1.87 0.00 -0.76 -4.35 120.51 114.99 3f44 n ALA 72 Ca 0.09 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 3f44 n ALA 72 Cb 0.33 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 3f44 n ALA 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f44 s GLY 73 N -3.23 2.91 0.25 0.00 0.00 -0.29 -4.93 107.32 102.04 3f44 s GLY 73 Ca 0.09 0.98 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 3f44 s GLY 73 CO 0.44 1.52 1.86 1.76 0.00 0.00 0.00 173.10 178.68 3f44 h SER 74 N 2.91 0.92 -0.43 1.64 0.02 -1.88 -1.09 113.55 115.64 3f44 h SER 74 Ca -0.48 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 3f44 h SER 74 Cb 1.23 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3f44 h SER 74 CO 0.64 0.59 0.18 1.12 -1.14 0.00 0.00 176.83 178.22 3f44 h HIS 75 N 1.05 0.69 -0.21 3.45 -0.00 -1.92 -0.48 115.15 117.73 3f44 h HIS 75 Ca 0.40 -0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.58 3f44 h HIS 75 Cb 0.16 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3f44 h HIS 75 CO -0.02 0.55 -0.48 0.00 -0.00 0.00 0.00 177.93 177.98 3f44 h ALA 76 N 1.52 0.34 -0.21 6.11 0.00 -1.57 -1.76 119.26 123.70 3f44 h ALA 76 Ca 0.17 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3f44 h ALA 76 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3f44 h ALA 76 CO -0.01 0.50 0.03 -0.44 0.00 0.00 0.00 179.25 179.33 3f44 h ASP 77 N 0.40 -0.01 -0.67 0.00 3.32 -0.93 -0.92 116.42 117.61 3f44 h ASP 77 Ca -0.00 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3f44 h ASP 77 Cb 1.09 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 3f44 h ASP 77 CO 0.11 0.02 0.41 0.44 -1.72 0.00 0.00 179.24 178.50 3f44 h ASP 78 N 0.11 0.68 0.04 6.45 3.32 -1.07 -0.02 116.42 125.93 3f44 h ASP 78 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3f44 h ASP 78 Cb 0.10 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3f44 h ASP 78 CO -0.14 0.47 -0.02 0.15 -1.72 0.00 0.00 179.24 177.98 3f44 h PHE 79 N 0.81 -0.05 -0.61 4.55 3.57 -0.98 -1.42 116.94 122.81 3f44 h PHE 79 Ca 0.27 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 3f44 h PHE 79 Cb 0.02 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3f44 h PHE 79 CO -0.05 0.08 0.10 0.28 -2.23 0.00 0.00 178.31 176.49 3f44 h VAL 80 N -0.17 1.26 -0.63 1.41 2.07 -0.97 0.06 116.25 119.27 3f44 h VAL 80 Ca -0.01 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3f44 h VAL 80 Cb 0.15 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3f44 h VAL 80 CO 0.01 0.37 0.37 -0.33 0.02 0.00 0.00 177.57 178.01 3f44 h GLU 81 N 0.91 0.69 0.05 1.57 5.08 -1.00 0.11 114.58 121.98 3f44 h GLU 81 Ca 0.18 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3f44 h GLU 81 Cb 0.42 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3f44 h GLU 81 CO 0.01 0.46 -0.02 1.15 -1.00 0.00 0.00 179.01 179.61 3f44 h THR 82 N 0.71 1.11 -0.32 1.13 2.02 -0.91 -1.25 112.91 115.41 3f44 h THR 82 Ca 0.27 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3f44 h THR 82 Cb 0.09 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3f44 h THR 82 CO -0.14 0.12 0.14 0.58 0.37 0.00 0.00 175.52 176.60 3f44 h VAL 83 N -0.28 0.96 -0.35 3.16 2.07 -0.82 -1.73 116.25 119.26 3f44 h VAL 83 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3f44 h VAL 83 Cb 0.25 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3f44 h VAL 83 CO 0.01 0.06 0.19 0.78 0.02 0.00 0.00 177.57 178.62 3f44 h ASN 84 N 0.30 0.43 -0.44 0.57 2.35 -0.73 0.16 115.58 118.22 3f44 h ASN 84 Ca 0.14 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 3f44 h ASN 84 Cb 0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3f44 h ASN 84 CO -0.11 0.35 -0.28 0.50 -1.65 0.00 0.00 177.43 176.24 3f44 h LYS 85 N 0.49 0.98 0.00 0.81 3.64 -0.65 -3.37 116.57 118.46 3f44 h LYS 85 Ca 0.13 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3f44 h LYS 85 Cb 0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3f44 h LYS 85 CO -0.02 1.13 -1.29 0.44 -2.27 0.00 0.00 179.45 177.43 3f44 n ILE 86 N -4.09 0.00 -2.80 2.00 -5.35 -0.70 -4.99 119.36 103.42 3f44 n ILE 86 Ca -0.01 -0.27 -0.41 0.00 -0.27 0.00 0.00 62.75 61.79 3f44 n ILE 86 Cb 0.49 0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 3f44 n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f44 s ALA 87 N -2.73 3.25 -0.13 -1.28 0.00 0.53 -4.51 121.76 116.89 3f44 s ALA 87 Ca -0.02 0.46 0.16 0.00 0.00 0.00 0.00 51.96 52.56 3f44 s ALA 87 Cb 0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3f44 s ALA 87 CO 0.57 -0.09 1.13 1.79 0.00 0.00 0.00 175.76 179.16 3f44 h THR 88 N 4.40 0.70 -3.48 0.00 1.35 -1.26 -3.47 112.91 111.16 3f44 h THR 88 Ca -0.42 -2.13 -0.17 0.00 -0.55 0.00 0.00 66.41 63.14 3f44 h THR 88 Cb 1.21 2.23 -0.24 0.00 -1.73 0.00 0.00 68.15 69.62 3f44 h THR 88 CO 0.73 0.40 -0.54 -0.54 -0.25 0.00 0.00 175.52 175.32 3f44 s LYS 89 N -2.94 0.29 0.00 4.72 1.02 -1.22 -5.01 119.74 116.60 3f44 s LYS 89 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.93 3f44 s LYS 89 Cb 0.08 0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.51 3f44 s LYS 89 CO 0.78 -0.06 -0.02 -0.65 -0.92 0.00 0.00 175.35 174.49 3f44 s GLN 90 N -0.55 0.17 -0.04 1.68 -0.21 -1.26 -0.83 119.66 118.61 3f44 s GLN 90 Ca -0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.19 3f44 s GLN 90 Cb -0.04 -0.13 0.03 0.00 1.00 0.00 0.00 33.01 33.87 3f44 s GLN 90 CO 0.01 0.03 0.08 0.21 -2.12 0.00 0.00 175.29 173.50 3f44 s LYS 91 N -0.16 0.00 -0.20 2.91 2.20 -0.20 -4.99 119.74 119.30 3f44 s LYS 91 Ca -0.01 0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.84 3f44 s LYS 91 Cb -0.01 -0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.03 3f44 s LYS 91 CO -0.00 -0.19 0.01 0.08 -0.36 0.00 0.00 175.35 174.89 3f44 s VAL 92 N 1.25 4.00 -0.30 4.02 1.01 -1.26 -0.70 120.40 128.43 3f44 s VAL 92 Ca -0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3f44 s VAL 92 Cb -0.12 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3f44 s VAL 92 CO -0.04 0.43 0.09 -0.63 0.00 0.00 0.00 175.10 174.94 3f44 s ILE 93 N 0.99 4.03 -0.19 2.22 -1.09 0.44 -5.01 121.20 122.59 3f44 s ILE 93 Ca 0.02 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.61 3f44 s ILE 93 Cb -0.14 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 3f44 s ILE 93 CO 0.02 0.08 0.42 -1.81 -1.23 0.00 0.00 174.94 172.41 3f44 s ASP 94 N 1.51 6.48 -0.04 3.58 1.01 -1.26 -1.45 116.67 126.49 3f44 s ASP 94 Ca 0.03 0.57 0.04 0.00 0.71 0.00 0.00 52.55 53.89 3f44 s ASP 94 Cb -0.17 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3f44 s ASP 94 CO 0.03 -0.07 -0.14 -0.76 0.21 0.00 0.00 175.17 174.44 3f44 s LEU 95 N 1.22 2.74 -0.34 1.23 1.43 -0.27 -1.51 118.68 123.18 3f44 s LEU 95 Ca 0.20 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.83 3f44 s LEU 95 Cb -0.15 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3f44 s LEU 95 CO 0.08 0.34 0.96 -2.28 0.23 0.00 0.00 176.35 175.68 3f44 s HIS 96 N -0.75 3.13 0.31 0.29 5.65 0.72 -4.02 115.29 120.62 3f44 s HIS 96 Ca 0.12 0.95 -0.29 0.00 0.25 0.00 0.00 55.06 56.09 3f44 s HIS 96 Cb -0.11 -3.58 -0.10 0.00 -1.18 0.00 0.00 32.58 27.61 3f44 s HIS 96 CO 0.01 -0.75 1.33 -2.14 -0.65 0.00 0.00 174.74 172.54 3f44 s PRO 97 N 3.45 4.34 -0.02 2.88 0.02 -1.26 -1.35 135.00 143.06 3f44 s PRO 97 Ca 0.40 2.22 -0.03 0.00 0.02 0.00 0.00 61.00 63.61 3f44 s PRO 97 Cb -0.12 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 3f44 s PRO 97 CO 0.16 -0.23 -0.07 0.39 -0.33 0.00 0.00 177.00 176.92 3f44 n GLU 98 N 1.15 0.10 -4.17 5.54 -0.58 -0.29 -4.91 120.64 117.47 3f44 n GLU 98 Ca 0.01 0.04 -0.23 0.00 -0.42 0.00 0.00 57.16 56.57 3f44 n GLU 98 Cb 0.42 -0.53 -0.17 0.00 -0.57 0.00 0.00 31.44 30.59 3f44 n GLU 98 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3f44 s VAL 99 N -1.54 0.74 -0.20 2.62 1.01 -1.18 -4.53 120.40 117.32 3f44 s VAL 99 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3f44 s VAL 99 Cb 0.01 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.68 3f44 s VAL 99 CO 0.08 0.29 -0.08 -0.63 0.00 0.00 0.00 175.10 174.76 3f44 s ILE 100 N 1.13 1.52 -0.02 2.22 1.01 -0.01 -0.42 121.20 126.62 3f44 s ILE 100 Ca -0.07 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.60 3f44 s ILE 100 Cb -0.14 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.66 3f44 s ILE 100 CO -0.01 0.08 -0.09 0.42 0.00 0.00 0.00 174.94 175.34 3f44 s THR 101 N 1.44 0.78 0.05 2.92 -4.23 -1.26 -0.56 115.64 114.78 3f44 s THR 101 Ca -0.02 -0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 3f44 s THR 101 Cb -0.17 -0.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 3f44 s THR 101 CO -0.08 0.24 0.11 0.42 -0.54 0.00 0.00 174.62 174.77 3f44 s THR 102 N 0.12 0.14 0.17 3.99 -4.23 -0.13 -4.52 115.64 111.20 3f44 s THR 102 Ca -0.02 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 3f44 s THR 102 Cb -0.08 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3f44 s THR 102 CO 0.00 -0.66 0.19 -0.54 -0.54 0.00 0.00 174.62 173.07 3f44 s LYS 103 N -3.06 3.05 0.93 3.99 1.02 0.04 -2.62 119.74 123.09 3f44 s LYS 103 Ca -0.01 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 3f44 s LYS 103 Cb 0.01 -2.72 0.15 0.00 -0.52 0.00 0.00 37.83 34.75 3f44 s LYS 103 CO -0.07 0.48 1.11 0.00 -0.92 0.00 0.00 175.35 175.96 3f44 s ALA 104 N -1.81 1.51 0.52 5.17 0.00 -1.26 -4.60 121.76 121.31 3f44 s ALA 104 Ca 0.32 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.95 3f44 s ALA 104 Cb -0.10 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.98 3f44 s ALA 104 CO 0.25 -2.43 0.55 1.14 0.00 0.00 0.00 175.76 175.27 3f44 s GLN 105 N -5.13 2.36 0.00 0.00 0.00 -1.26 -4.97 119.66 110.66 3f44 s GLN 105 Ca 0.64 -1.74 0.00 0.00 -0.00 0.00 0.00 55.36 54.26 3f44 s GLN 105 Cb -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 33.01 30.45 3f44 s GLN 105 CO 0.55 -0.61 0.00 -0.25 0.00 0.00 0.00 175.29 174.98 3f44 n ASP 113 N -1.91 0.00 -0.21 12.60 8.00 -1.26 -5.12 116.55 128.65 3f44 n ASP 113 Ca 0.06 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.70 3f44 n ASP 113 Cb 0.62 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 42.31 3f44 n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3f44 n ASN 114 N 0.00 0.75 -4.62 -2.24 3.02 -1.26 -4.97 115.26 105.94 3f44 n ASN 114 Ca 0.00 -0.89 -0.48 0.00 -0.03 0.00 0.00 54.58 53.18 3f44 n ASN 114 Cb 0.00 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 3f44 n ASN 114 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3f44 n PHE 115 N -0.65 1.74 -3.33 3.10 3.01 -1.12 -4.00 117.46 116.21 3f44 n PHE 115 Ca 0.16 0.53 -0.20 0.00 1.01 0.00 0.00 57.45 58.95 3f44 n PHE 115 Cb 0.29 -2.38 0.04 0.00 -0.01 0.00 0.00 39.48 37.41 3f44 n PHE 115 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3f44 n VAL 116 N 2.18 0.00 0.00 -4.37 0.31 -0.03 -4.64 118.33 111.78 3f44 n VAL 116 Ca 0.15 -1.87 0.00 0.00 -0.01 0.00 0.00 64.34 62.61 3f44 n VAL 116 Cb 0.26 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3f44 n VAL 116 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3f44 n ARG 118 N -2.00 0.00 -3.99 5.55 1.74 0.14 -0.04 116.66 118.07 3f44 n ARG 118 Ca 0.09 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 3f44 n ARG 118 Cb 0.56 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.86 3f44 n ARG 118 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3f44 s LEU 119 N 0.00 2.65 -0.11 0.55 0.20 -0.17 -1.28 118.68 120.52 3f44 s LEU 119 Ca 0.00 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.33 3f44 s LEU 119 Cb 0.00 -1.64 0.00 0.00 -0.43 0.00 0.00 46.19 44.13 3f44 s LEU 119 CO 0.00 -0.02 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.18 3f44 s ILE 120 N 1.40 1.98 -0.19 6.68 1.09 -0.26 -0.62 121.20 131.28 3f44 s ILE 120 Ca 0.05 -0.96 -0.04 0.00 -1.10 0.00 0.00 60.65 58.59 3f44 s ILE 120 Cb -0.14 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.50 3f44 s ILE 120 CO -0.07 0.54 -0.02 -0.75 -0.10 0.00 0.00 174.94 174.55 3f44 s LYS 121 N 0.53 3.60 -0.08 2.79 2.20 0.03 -0.36 119.74 128.46 3f44 s LYS 121 Ca -0.15 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 3f44 s LYS 121 Cb -0.17 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 3f44 s LYS 121 CO 0.05 0.05 -0.12 0.08 -0.36 0.00 0.00 175.35 175.05 3f44 s VAL 122 N 0.87 1.19 -0.22 4.02 1.01 0.39 -1.02 120.40 126.63 3f44 s VAL 122 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3f44 s VAL 122 Cb -0.14 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3f44 s VAL 122 CO 0.02 0.37 0.32 -0.70 0.00 0.00 0.00 175.10 175.11 3f44 s GLU 123 N 0.89 4.14 0.01 2.72 2.12 -0.66 -0.45 118.70 127.46 3f44 s GLU 123 Ca -0.10 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.30 3f44 s GLU 123 Cb -0.15 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 3f44 s GLU 123 CO 0.01 -0.01 -0.04 0.08 -0.54 0.00 0.00 175.26 174.76 3f44 s VAL 124 N 1.25 3.86 0.26 3.70 1.01 0.26 -0.37 120.40 130.37 3f44 s VAL 124 Ca 0.15 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3f44 s VAL 124 Cb -0.14 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 3f44 s VAL 124 CO 0.07 0.36 1.42 -0.54 0.00 0.00 0.00 175.10 176.41 3f44 s LYS 125 N -1.54 4.28 0.27 2.72 1.02 -1.26 -4.79 119.74 120.43 3f44 s LYS 125 Ca 0.19 2.29 -0.01 0.00 0.02 0.00 0.00 55.97 58.46 3f44 s LYS 125 Cb -0.11 -3.11 0.55 0.00 -0.52 0.00 0.00 37.83 34.64 3f44 s LYS 125 CO 0.09 -0.39 1.75 0.22 -0.92 0.00 0.00 175.35 176.11 3f44 h ASP 126 N 4.83 0.49 0.24 2.83 3.58 -1.99 -1.55 116.42 124.85 3f44 h ASP 126 Ca -0.46 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 3f44 h ASP 126 Cb 1.22 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 3f44 h ASP 126 CO 0.76 0.19 -0.09 0.00 -2.88 0.00 0.00 179.24 177.22 3f44 h ALA 127 N 1.57 1.39 -0.72 -0.78 0.00 -2.03 -3.02 119.26 115.67 3f44 h ALA 127 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3f44 h ALA 127 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3f44 h ALA 127 CO -0.38 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 3f44 n ASP 128 N -3.75 3.95 -0.12 0.00 8.00 -0.59 -4.70 116.55 119.33 3f44 n ASP 128 Ca -0.02 -2.00 -0.06 0.00 0.71 0.00 0.00 54.79 53.41 3f44 n ASP 128 Cb 0.19 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3f44 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f44 h ALA 129 N 4.34 -0.07 -0.24 2.24 0.00 -1.48 0.15 119.26 124.21 3f44 h ALA 129 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3f44 h ALA 129 Cb 1.00 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3f44 h ALA 129 CO 0.00 -0.66 -0.07 0.93 0.00 0.00 0.00 179.25 179.44 3f44 h GLU 130 N -0.21 0.47 -0.58 0.00 3.07 -1.87 -1.63 114.58 113.84 3f44 h GLU 130 Ca 0.19 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3f44 h GLU 130 Cb 0.51 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 3f44 h GLU 130 CO -0.53 0.71 0.30 0.87 -1.40 0.00 0.00 179.01 178.96 3f44 h LYS 131 N 0.20 0.82 -0.29 2.33 1.57 -1.84 -2.24 116.57 117.11 3f44 h LYS 131 Ca 0.06 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3f44 h LYS 131 Cb 0.55 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3f44 h LYS 131 CO 0.03 0.64 0.10 0.35 -0.57 0.00 0.00 179.45 180.00 3f44 h PHE 132 N 0.78 0.45 -0.89 -1.35 3.57 -0.65 -1.70 116.94 117.15 3f44 h PHE 132 Ca 0.20 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3f44 h PHE 132 Cb 0.08 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3f44 h PHE 132 CO -0.01 0.46 0.56 0.66 -2.23 0.00 0.00 178.31 177.76 3f44 h SER 133 N 0.31 0.92 -0.32 0.41 4.64 -1.17 0.53 113.55 118.87 3f44 h SER 133 Ca 0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 3f44 h SER 133 Cb 0.21 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3f44 h SER 133 CO -0.01 0.61 -0.06 -0.74 -0.87 0.00 0.00 176.83 175.76 3f44 h HIS 134 N 1.06 0.67 -0.46 4.77 -0.00 -1.21 -1.59 115.15 118.39 3f44 h HIS 134 Ca 0.37 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3f44 h HIS 134 Cb 0.09 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 3f44 h HIS 134 CO -0.02 0.77 0.28 0.00 -0.00 0.00 0.00 177.93 178.96 3f44 h ALA 135 N 0.81 0.58 -0.11 5.26 0.00 -0.77 -1.05 119.26 123.98 3f44 h ALA 135 Ca 0.08 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3f44 h ALA 135 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3f44 h ALA 135 CO 0.03 0.06 -0.63 -0.24 0.00 0.00 0.00 179.25 178.47 3f44 h VAL 136 N 0.61 1.36 -0.56 0.00 3.04 -0.88 -2.41 116.25 117.42 3f44 h VAL 136 Ca 0.17 -1.97 0.00 0.00 -1.01 0.00 0.00 66.70 63.89 3f44 h VAL 136 Cb -0.02 1.96 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 3f44 h VAL 136 CO -0.03 0.60 0.35 0.50 -1.01 0.00 0.00 177.57 177.98 3f44 h LYS 137 N 0.31 0.74 -0.74 4.17 3.64 -1.02 -2.75 116.57 120.92 3f44 h LYS 137 Ca -0.01 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3f44 h LYS 137 Cb 1.18 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3f44 h LYS 137 CO 0.11 0.51 0.48 0.87 -2.27 0.00 0.00 179.45 179.15 3f44 h LYS 138 N 0.75 0.92 -0.31 1.90 1.57 -0.97 -1.29 116.57 119.14 3f44 h LYS 138 Ca 0.20 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3f44 h LYS 138 Cb -0.06 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.05 3f44 h LYS 138 CO -0.04 0.61 0.00 -1.91 -0.57 0.00 0.00 179.45 177.54 3f44 n GLU 139 N -4.61 0.42 0.00 3.15 0.00 -0.93 -2.15 120.64 116.52 3f44 n GLU 139 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 3f44 n GLU 139 Cb 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 31.44 30.34 3f44 n GLU 139 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3f44 n THR 141 N 0.09 0.00 -0.12 6.31 -2.24 -0.49 -0.98 114.28 116.86 3f44 n THR 141 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3f44 n THR 141 Cb 0.08 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.34 3f44 n THR 141 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3f44 h THR 142 N 0.00 1.27 0.00 4.28 2.02 -1.67 -1.99 112.91 116.82 3f44 h THR 142 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 3f44 h THR 142 Cb 0.00 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3f44 h THR 142 CO 0.00 0.48 0.00 -1.20 0.37 0.00 0.00 175.52 175.17 3f44 n SER 143 N -4.09 0.00 0.00 4.18 7.64 -0.15 -0.66 113.62 120.54 3f44 n SER 143 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3f44 n SER 143 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3f44 n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f44 n ALA 145 N 0.51 0.00 0.03 -0.43 0.00 -0.75 -0.52 120.51 119.35 3f44 n ALA 145 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3f44 n ALA 145 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3f44 n ALA 145 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f44 n SER 146 N 0.00 3.21 -4.18 0.00 3.41 0.17 -4.94 113.62 111.28 3f44 n SER 146 Ca 0.00 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 58.16 3f44 n SER 146 Cb 0.00 1.26 -0.11 0.00 -0.26 0.00 0.00 64.21 65.10 3f44 n SER 146 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3f44 s GLU 147 N -2.35 2.29 0.60 4.33 2.02 0.33 -4.98 118.70 120.94 3f44 s GLU 147 Ca -0.02 -1.64 0.34 0.00 0.02 0.00 0.00 54.97 53.67 3f44 s GLU 147 Cb 0.04 -3.64 1.90 0.00 0.10 0.00 0.00 34.13 32.54 3f44 s GLU 147 CO 0.26 -1.00 2.24 -1.35 0.02 0.00 0.00 175.26 175.44 3f44 h PRO 148 N 8.20 0.00 -5.03 0.39 0.11 -1.92 -3.45 132.00 130.29 3f44 h PRO 148 Ca -0.18 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.30 3f44 h PRO 148 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3f44 h PRO 148 CO 0.72 0.02 2.32 0.41 -0.21 0.00 0.00 178.00 181.26 3f44 n GLY 149 N -1.08 2.88 1.16 -0.55 0.00 -1.26 -4.94 105.19 101.41 3f44 n GLY 149 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3f44 n GLY 149 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f44 n GLU 151 N 7.48 0.00 -4.23 1.61 -0.58 -0.02 0.21 120.64 125.11 3f44 n GLU 151 Ca 0.49 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 57.07 3f44 n GLU 151 Cb 0.43 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.22 3f44 n GLU 151 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3f44 s ILE 152 N -1.72 0.00 -0.09 -3.67 1.01 -1.07 -0.78 121.20 114.89 3f44 s ILE 152 Ca 0.00 -1.93 -0.30 0.00 0.00 0.00 0.00 60.65 58.42 3f44 s ILE 152 Cb 0.00 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 40.03 3f44 s ILE 152 CO 0.00 0.00 0.70 -0.94 0.00 0.00 0.00 174.94 174.70 3f44 s SER 155 N -3.30 -0.66 0.12 3.58 1.04 0.44 -1.02 113.70 113.91 3f44 s SER 155 Ca 0.39 0.81 -0.24 0.00 0.48 0.00 0.00 55.95 57.38 3f44 s SER 155 Cb 0.03 0.66 0.08 0.00 0.10 0.00 0.00 66.02 66.89 3f44 s SER 155 CO 0.23 -0.55 0.68 -0.83 0.98 0.00 0.00 173.24 173.75 3f44 s GLY 156 N -0.96 -0.56 -0.02 7.32 0.00 -0.55 -1.14 107.32 111.40 3f44 s GLY 156 Ca -0.09 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.25 3f44 s GLY 156 CO 0.08 0.20 -0.05 -0.51 0.00 0.00 0.00 173.10 172.82 3f44 s THR 157 N -3.59 3.78 0.15 0.90 -4.23 -0.46 -0.82 115.64 111.38 3f44 s THR 157 Ca 0.02 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.59 3f44 s THR 157 Cb -0.01 -2.62 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 3f44 s THR 157 CO -0.11 0.46 1.79 0.21 -0.54 0.00 0.00 174.62 176.43 3f44 s ASN 158 N -1.24 6.41 0.52 3.99 3.84 0.18 -0.20 114.94 128.44 3f44 s ASN 158 Ca 0.16 2.79 0.23 0.00 0.21 0.00 0.00 52.86 56.25 3f44 s ASN 158 Cb -0.11 -2.58 1.42 0.00 -0.55 0.00 0.00 41.25 39.43 3f44 s ASN 158 CO 0.06 -0.99 2.12 0.16 -2.79 0.00 0.00 177.10 175.66 3f44 h ILE 159 N 4.40 0.77 0.00 -5.21 3.07 -1.61 -1.12 117.51 117.81 3f44 h ILE 159 Ca -0.45 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.65 3f44 h ILE 159 Cb 1.21 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 3f44 h ILE 159 CO 0.95 0.08 -0.09 0.47 -1.05 0.00 0.00 178.15 178.51 3f44 n ASP 160 N -4.03 0.47 -3.21 2.16 8.00 -1.26 -4.62 116.55 114.06 3f44 n ASP 160 Ca -0.03 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.93 3f44 n ASP 160 Cb 0.17 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 3f44 n ASP 160 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3f44 s ASN 161 N -3.81 -1.35 0.47 -2.24 3.84 -0.45 -5.04 114.94 106.36 3f44 s ASN 161 Ca 0.12 -0.62 0.25 0.00 0.21 0.00 0.00 52.86 52.81 3f44 s ASN 161 Cb 0.15 1.88 1.35 0.00 -0.55 0.00 0.00 41.25 44.08 3f44 s ASN 161 CO 0.59 -0.21 1.73 -0.65 -2.79 0.00 0.00 177.10 175.77 3f44 h PRO 162 N 7.24 0.00 -0.05 0.43 0.11 -1.76 -1.27 132.00 136.70 3f44 h PRO 162 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3f44 h PRO 162 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3f44 h PRO 162 CO 0.12 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.00 3f44 n ASN 163 N -2.50 1.47 -4.36 -2.05 3.02 -1.26 -4.74 115.26 104.84 3f44 n ASN 163 Ca -0.02 -1.53 -0.40 0.00 -0.03 0.00 0.00 54.58 52.61 3f44 n ASN 163 Cb 0.23 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.26 3f44 n ASN 163 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3f44 s GLU 164 N -1.95 2.85 -0.12 3.52 2.12 -0.48 -0.57 118.70 124.07 3f44 s GLU 164 Ca 0.37 -1.05 -0.07 0.00 0.36 0.00 0.00 54.97 54.57 3f44 s GLU 164 Cb 0.20 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 3f44 s GLU 164 CO 0.32 -0.66 0.14 -1.58 -0.54 0.00 0.00 175.26 172.94 3f44 s TRP 165 N 1.53 3.60 -0.06 5.30 0.52 0.40 -0.65 118.94 129.59 3f44 s TRP 165 Ca 0.02 0.53 0.05 0.00 0.02 0.00 0.00 56.10 56.72 3f44 s TRP 165 Cb -0.19 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 3f44 s TRP 165 CO 0.06 0.73 -0.22 0.71 0.02 0.00 0.00 176.95 178.25 3f44 s TYR 166 N -1.01 2.51 -0.04 -1.98 1.51 0.00 -0.47 117.35 117.88 3f44 s TYR 166 Ca 0.15 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 3f44 s TYR 166 Cb -0.12 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 3f44 s TYR 166 CO 0.04 -0.12 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.05 3f44 s PHE 167 N -0.28 2.33 -0.18 2.71 0.40 0.51 -1.48 117.98 121.99 3f44 s PHE 167 Ca 0.00 -0.55 -0.00 0.00 -0.60 0.00 0.00 56.93 55.78 3f44 s PHE 167 Cb -0.13 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.90 3f44 s PHE 167 CO 0.03 -0.11 -0.15 0.42 0.70 0.00 0.00 175.22 176.10 3f44 s ILE 168 N -0.41 2.49 -0.09 0.64 -1.09 -1.26 -1.10 121.20 120.38 3f44 s ILE 168 Ca 0.04 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 3f44 s ILE 168 Cb -0.11 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3f44 s ILE 168 CO 0.01 0.51 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.44 3f44 s GLU 169 N 1.21 2.39 -0.15 2.79 2.02 -0.40 -4.78 118.70 121.79 3f44 s GLU 169 Ca 0.02 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.39 3f44 s GLU 169 Cb -0.14 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.22 3f44 s GLU 169 CO -0.07 0.08 -0.21 0.08 0.02 0.00 0.00 175.26 175.16 3f44 s VAL 170 N 0.56 2.00 0.03 2.63 1.01 -0.19 -0.68 120.40 125.76 3f44 s VAL 170 Ca -0.16 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 60.93 3f44 s VAL 170 Cb -0.17 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3f44 s VAL 170 CO 0.05 0.54 -0.07 -0.31 0.00 0.00 0.00 175.10 175.31 3f44 s TYR 171 N 0.94 2.87 0.46 5.22 1.51 0.95 -0.84 117.35 128.45 3f44 s TYR 171 Ca -0.04 -0.06 0.12 0.00 -1.01 0.00 0.00 57.07 56.08 3f44 s TYR 171 Cb -0.15 -1.57 1.05 0.00 -0.11 0.00 0.00 41.96 41.18 3f44 s TYR 171 CO -0.04 0.39 2.06 0.00 -1.11 0.00 0.00 175.55 176.85 3f44 h ALA 172 N 4.29 1.92 -2.38 3.71 0.00 -0.53 -0.05 119.26 126.21 3f44 h ALA 172 Ca -0.48 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.62 3f44 h ALA 172 Cb 1.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3f44 h ALA 172 CO 0.54 0.03 0.65 0.27 0.00 0.00 0.00 179.25 180.75 3f44 n ASN 173 N -4.49 -1.49 0.23 0.00 0.23 -1.26 -2.80 115.26 105.68 3f44 n ASN 173 Ca 0.03 -1.67 0.06 0.00 -0.53 0.00 0.00 54.58 52.47 3f44 n ASN 173 Cb 0.18 2.40 0.54 0.00 -2.08 0.00 0.00 39.78 40.82 3f44 n ASN 173 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3f44 h ASP 174 N 1.88 0.00 -0.40 0.53 3.32 -1.91 -2.82 116.42 117.02 3f44 h ASP 174 Ca -0.24 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 3f44 h ASP 174 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3f44 h ASP 174 CO 0.33 0.15 0.05 -0.33 -1.72 0.00 0.00 179.24 177.72 3f44 h GLU 175 N 0.00 0.68 -0.92 3.56 3.07 -1.97 -1.14 114.58 117.86 3f44 h GLU 175 Ca -0.00 -0.19 0.01 0.00 -0.50 0.00 0.00 59.36 58.68 3f44 h GLU 175 Cb 0.27 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 3f44 h GLU 175 CO 0.02 0.74 0.61 0.00 -1.40 0.00 0.00 179.01 178.98 3f44 h ALA 176 N 0.92 1.35 -0.00 3.43 0.00 -1.85 -1.42 119.26 121.68 3f44 h ALA 176 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f44 h ALA 176 Cb 0.40 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3f44 h ALA 176 CO 0.01 0.61 0.00 -0.92 0.00 0.00 0.00 179.25 178.95 3f44 h TYR 177 N 1.25 0.01 -0.75 0.00 3.20 -1.36 -1.85 116.97 117.47 3f44 h TYR 177 Ca 0.34 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.26 3f44 h TYR 177 Cb -0.14 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 3f44 h TYR 177 CO -0.00 0.14 0.46 -0.44 -1.64 0.00 0.00 178.16 176.68 3f44 h ASP 178 N -0.13 0.73 -0.63 -2.11 3.32 -0.82 -2.70 116.42 114.08 3f44 h ASP 178 Ca 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3f44 h ASP 178 Cb 0.14 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3f44 h ASP 178 CO -0.00 0.48 0.14 0.40 -1.72 0.00 0.00 179.24 178.54 3f44 h ILE 179 N 0.86 1.26 -0.85 0.35 2.04 -1.27 -3.30 117.51 116.60 3f44 h ILE 179 Ca 0.32 -0.95 0.12 0.00 1.00 0.00 0.00 64.86 65.35 3f44 h ILE 179 Cb 0.11 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 3f44 h ILE 179 CO -0.15 0.36 0.48 -0.74 0.00 0.00 0.00 178.15 178.10 3f44 h HIS 180 N 0.93 0.85 0.00 1.37 2.76 -0.99 -0.99 115.15 119.08 3f44 h HIS 180 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3f44 h HIS 180 Cb 0.38 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3f44 h HIS 180 CO 0.03 0.29 0.00 1.33 -1.30 0.00 0.00 177.93 178.28 3f44 n VAL 181 N -4.78 0.02 0.14 5.26 0.24 -1.23 -3.64 118.33 114.34 3f44 n VAL 181 Ca 0.16 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.54 3f44 n VAL 181 Cb 0.35 -0.51 0.15 0.00 -1.47 0.00 0.00 33.84 32.37 3f44 n VAL 181 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3f44 n LYS 182 N -1.31 2.12 -2.22 7.34 5.02 -0.38 -4.73 118.16 124.00 3f44 n LYS 182 Ca 0.13 -1.92 -0.31 0.00 -2.02 0.00 0.00 58.31 54.19 3f44 n LYS 182 Cb 0.25 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3f44 n LYS 182 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3f44 s THR 183 N -1.14 4.63 0.29 -0.18 -4.23 -1.19 -4.94 115.64 108.88 3f44 s THR 183 Ca 0.27 1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.77 3f44 s THR 183 Cb 0.15 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.47 3f44 s THR 183 CO 0.21 -0.87 1.95 -0.65 -0.54 0.00 0.00 174.62 174.72 3f44 h PRO 184 N 0.42 1.11 -0.35 3.99 0.11 -1.95 -1.92 132.00 133.41 3f44 h PRO 184 Ca -0.46 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 3f44 h PRO 184 Cb 1.19 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3f44 h PRO 184 CO 0.62 0.74 -0.24 1.12 -0.21 0.00 0.00 178.00 180.03 3f44 h HIS 185 N 1.15 0.79 -0.55 0.65 2.07 -1.96 -2.03 115.15 115.28 3f44 h HIS 185 Ca 0.33 -0.18 -0.09 0.00 -2.85 0.00 0.00 60.37 57.58 3f44 h HIS 185 Cb -0.07 -0.19 -0.02 0.00 2.57 0.00 0.00 27.41 29.70 3f44 h HIS 185 CO -0.00 0.87 -0.00 -0.92 -3.07 0.00 0.00 177.93 174.81 3f44 h TYR 186 N 0.61 1.05 -0.51 6.12 3.20 -1.73 -1.65 116.97 124.07 3f44 h TYR 186 Ca 0.08 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.81 3f44 h TYR 186 Cb 0.73 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3f44 h TYR 186 CO 0.03 0.96 0.26 -0.22 -1.64 0.00 0.00 178.16 177.56 3f44 h LYS 187 N 0.85 0.50 -0.38 1.82 3.11 -1.20 -0.97 116.57 120.30 3f44 h LYS 187 Ca 0.15 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.95 3f44 h LYS 187 Cb 0.54 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 3f44 h LYS 187 CO 0.03 0.33 0.19 1.49 -2.81 0.00 0.00 179.45 178.68 3f44 h GLU 188 N 0.52 0.54 -0.25 1.90 4.81 -1.28 -2.50 114.58 118.31 3f44 h GLU 188 Ca 0.22 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3f44 h GLU 188 Cb 0.11 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3f44 h GLU 188 CO -0.14 0.47 0.00 -0.92 -0.73 0.00 0.00 179.01 177.69 3f44 h TYR 189 N 0.48 -0.00 -0.16 0.92 3.20 -0.72 -0.33 116.97 120.35 3f44 h TYR 189 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3f44 h TYR 189 Cb 0.10 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3f44 h TYR 189 CO -0.02 -0.03 -0.29 -0.84 -1.64 0.00 0.00 178.16 175.34 3f44 h ILE 190 N 0.08 1.26 -0.13 1.81 3.07 -1.13 -1.77 117.51 120.69 3f44 h ILE 190 Ca 0.12 -1.24 -0.05 0.00 1.55 0.00 0.00 64.86 65.23 3f44 h ILE 190 Cb 0.15 1.46 -0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3f44 h ILE 190 CO -0.19 0.38 -0.13 -0.33 -1.05 0.00 0.00 178.15 176.83 3f44 h GLU 191 N 0.27 0.32 -0.75 0.16 5.08 -1.20 -2.92 114.58 115.55 3f44 h GLU 191 Ca 0.04 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3f44 h GLU 191 Cb 0.65 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3f44 h GLU 191 CO 0.05 0.71 0.40 0.93 -1.00 0.00 0.00 179.01 180.10 3f44 h GLU 192 N -0.06 1.05 -0.28 2.33 5.08 -0.94 -2.96 114.58 118.81 3f44 h GLU 192 Ca 0.02 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3f44 h GLU 192 Cb 0.65 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3f44 h GLU 192 CO 0.03 0.78 0.00 0.25 -1.00 0.00 0.00 179.01 179.08 3f44 n THR 193 N -4.35 0.36 -2.05 1.13 -2.24 -0.68 -4.93 114.28 101.52 3f44 n THR 193 Ca 0.08 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 3f44 n THR 193 Cb 0.11 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3f44 n THR 193 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f44 s ASP 194 N -1.52 6.70 0.00 3.42 -1.08 -1.10 -3.66 116.67 119.44 3f44 s ASP 194 Ca 0.35 2.48 0.00 0.00 -0.52 0.00 0.00 52.55 54.85 3f44 s ASP 194 Cb 0.20 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 3f44 s ASP 194 CO 0.29 -0.74 0.00 0.61 0.52 0.00 0.00 175.17 175.85 3f44 n GLY 195 N 3.60 0.88 0.00 2.66 0.00 -1.26 -5.07 105.19 106.00 3f44 n GLY 195 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3f44 n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f44 n VAL 197 N -1.14 0.00 -0.03 1.61 0.31 -1.24 -4.90 118.33 112.94 3f44 n VAL 197 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3f44 n VAL 197 Cb 0.26 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.05 3f44 n VAL 197 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3f44 n LYS 198 N 0.08 0.68 -3.53 5.55 5.02 0.50 -4.97 118.16 121.49 3f44 n LYS 198 Ca 0.00 0.25 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 3f44 n LYS 198 Cb 0.00 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.24 3f44 n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3f44 s SER 199 N -6.36 -0.53 0.04 4.39 1.04 -1.21 -4.98 113.70 106.09 3f44 s SER 199 Ca -0.13 0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.69 3f44 s SER 199 Cb 0.07 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 3f44 s SER 199 CO 0.79 -0.71 -0.15 -0.13 0.98 0.00 0.00 173.24 174.02 3f44 s ARG 200 N -2.17 0.98 -0.03 4.02 0.52 -1.26 -1.65 118.95 119.36 3f44 s ARG 200 Ca -0.07 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3f44 s ARG 200 Cb -0.01 -1.01 0.03 0.00 0.52 0.00 0.00 34.95 34.48 3f44 s ARG 200 CO 0.01 0.25 0.03 0.34 0.02 0.00 0.00 175.30 175.95 3f44 s ASP 201 N -1.22 0.56 -0.08 0.23 -1.08 -0.19 -4.98 116.67 109.91 3f44 s ASP 201 Ca 0.02 0.03 0.03 0.00 -0.52 0.00 0.00 52.55 52.11 3f44 s ASP 201 Cb -0.08 -0.15 -0.02 0.00 -1.46 0.00 0.00 42.92 41.21 3f44 s ASP 201 CO 0.01 -0.16 -0.18 -0.69 0.52 0.00 0.00 175.17 174.67 3f44 s VAL 202 N 1.44 2.67 -0.15 1.11 1.01 -1.26 -0.79 120.40 124.43 3f44 s VAL 202 Ca -0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3f44 s VAL 202 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3f44 s VAL 202 CO -0.03 0.56 -0.21 -0.54 0.00 0.00 0.00 175.10 174.88 3f44 s LYS 203 N -0.11 3.02 -0.26 2.72 1.02 0.21 -5.00 119.74 121.33 3f44 s LYS 203 Ca -0.03 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 54.95 3f44 s LYS 203 Cb -0.14 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 3f44 s LYS 203 CO 0.04 -0.06 0.46 0.99 -0.92 0.00 0.00 175.35 175.86 3f44 s THR 204 N 0.92 5.11 0.01 2.17 2.01 -1.26 -1.00 115.64 123.61 3f44 s THR 204 Ca -0.04 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.73 3f44 s THR 204 Cb -0.15 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3f44 s THR 204 CO -0.04 0.12 0.01 -0.76 -0.69 0.00 0.00 174.62 173.25 3f44 s LEU 205 N 2.20 3.55 -0.33 4.42 1.43 -1.26 -1.01 118.68 127.67 3f44 s LEU 205 Ca 0.19 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 3f44 s LEU 205 Cb -0.16 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3f44 s LEU 205 CO 0.09 0.27 0.51 -0.69 0.23 0.00 0.00 176.35 176.76 3f44 s VAL 206 N -1.13 5.03 0.08 -1.59 1.01 0.63 -4.75 120.40 119.69 3f44 s VAL 206 Ca 0.21 0.48 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 3f44 s VAL 206 Cb -0.12 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 3f44 s VAL 206 CO 0.12 -0.13 1.65 -0.60 0.00 0.00 0.00 175.10 176.13 3f44 s ARG 207 N 2.37 4.20 -0.19 2.72 3.52 -1.26 -1.48 118.95 128.81 3f44 s ARG 207 Ca 0.19 2.34 -0.04 0.00 -0.13 0.00 0.00 55.73 58.10 3f44 s ARG 207 Cb -0.15 -3.54 -0.11 0.00 -1.56 0.00 0.00 34.95 29.59 3f44 s ARG 207 CO 0.12 -0.72 -0.21 -0.25 -0.81 0.00 0.00 175.30 173.43 3f44 n ASP 208 N 5.39 2.04 -3.93 -2.12 8.00 0.09 -4.97 116.55 121.06 3f44 n ASP 208 Ca 0.16 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.61 3f44 n ASP 208 Cb 0.40 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 3f44 n ASP 208 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3f44 s THR 209 N -2.37 0.06 -0.29 -3.53 -4.23 -0.69 -4.96 115.64 99.63 3f44 s THR 209 Ca -0.26 -0.54 -0.14 0.00 -1.18 0.00 0.00 61.69 59.57 3f44 s THR 209 Cb 0.08 -0.17 0.13 0.00 1.34 0.00 0.00 72.50 73.89 3f44 s THR 209 CO 0.40 -0.29 0.83 -0.22 -0.54 0.00 0.00 174.62 174.80 3f44 s LEU 210 N -0.87 -0.79 0.00 4.79 2.96 -1.26 -0.85 118.68 122.67 3f44 s LEU 210 Ca -0.10 1.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.92 3f44 s LEU 210 Cb -0.06 2.00 -0.00 0.00 0.50 0.00 0.00 46.19 48.63 3f44 s LEU 210 CO -0.01 -0.17 0.09 0.00 -1.32 0.00 0.00 176.35 174.94 3f44 s ALA 211 N 2.16 -0.20 0.09 5.97 0.00 -0.34 -5.00 121.76 124.43 3f44 s ALA 211 Ca -0.06 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.72 3f44 s ALA 211 Cb -0.07 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3f44 s ALA 211 CO -0.18 -0.18 -0.09 0.95 0.00 0.00 0.00 175.76 176.27 3f44 s THR 212 N -1.24 0.78 -1.29 0.00 -4.23 -1.26 -1.97 115.64 106.43 3f44 s THR 212 Ca -0.13 -1.61 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 3f44 s THR 212 Cb -0.07 -1.29 0.14 0.00 1.34 0.00 0.00 72.50 72.61 3f44 s THR 212 CO 0.01 -0.61 1.78 1.67 -0.54 0.00 0.00 174.62 176.93 3f44 n GLN 213 N 0.58 3.37 0.00 3.99 7.27 -0.36 -4.82 117.38 127.41 3f44 n GLN 213 Ca -0.16 -3.45 0.00 0.00 0.07 0.00 0.00 57.00 53.46 3f44 n GLN 213 Cb 0.58 -3.09 0.00 0.00 2.41 0.00 0.00 30.24 30.14 3f44 n GLN 213 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3f44 n GLY 214 N 3.72 0.50 3.65 1.69 0.00 -1.26 -4.63 105.19 108.87 3f44 n GLY 214 Ca 0.42 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3f44 n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f44 s ALA 215 N -1.81 3.61 -0.02 4.61 0.00 -1.26 -4.05 121.76 122.84 3f44 s ALA 215 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.16 3f44 s ALA 215 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3f44 s ALA 215 CO 0.00 -1.24 -0.20 0.42 0.00 0.00 0.00 175.76 174.74 3f44 s ILE 216 N 3.44 2.57 -0.39 0.00 1.01 -1.08 -4.96 121.20 121.80 3f44 s ILE 216 Ca 0.46 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3f44 s ILE 216 Cb -0.15 -1.97 0.16 0.00 0.01 0.00 0.00 42.46 40.51 3f44 s ILE 216 CO 0.11 0.55 0.38 0.68 0.00 0.00 0.00 174.94 176.66 3f44 s VAL 217 N -0.71 -0.21 -0.40 2.92 -7.23 -1.25 -0.95 120.40 112.57 3f44 s VAL 217 Ca 0.11 -1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 58.87 3f44 s VAL 217 Cb -0.10 -0.76 0.10 0.00 0.56 0.00 0.00 36.38 36.17 3f44 s VAL 217 CO 0.00 -0.70 0.19 -0.76 -0.31 0.00 0.00 175.10 173.52 3f44 s LEU 218 N 1.09 5.04 0.00 1.32 1.43 0.28 -5.01 118.68 122.83 3f44 s LEU 218 Ca 0.21 -1.82 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 3f44 s LEU 218 Cb -0.12 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3f44 s LEU 218 CO -0.05 -0.50 0.25 -0.90 0.23 0.00 0.00 176.35 175.37