#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huj n TYR 2 N 0.00 -0.23 -4.18 -1.42 4.01 -0.44 -4.89 117.16 110.01 1huj n TYR 2 Ca 0.00 0.04 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 1huj n TYR 2 Cb 0.00 0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 1huj n TYR 2 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1huj n THR 3 N -2.62 0.00 -4.31 -0.72 -2.24 0.44 -4.96 114.28 99.86 1huj n THR 3 Ca 0.00 -0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 1huj n THR 3 Cb 0.00 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 1huj n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1huj s THR 4 N -1.89 1.66 -0.08 4.28 -4.23 -1.26 -0.13 115.64 113.99 1huj s THR 4 Ca 0.05 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1huj s THR 4 Cb 0.00 -1.85 0.03 0.00 1.34 0.00 0.00 72.50 72.03 1huj s THR 4 CO 0.03 -0.45 0.02 -0.60 -0.54 0.00 0.00 174.62 173.08 1huj s ARG 5 N -3.11 0.46 -0.18 3.99 3.52 0.36 -4.82 118.95 119.16 1huj s ARG 5 Ca 0.17 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.74 1huj s ARG 5 Cb -0.03 -1.06 -0.05 0.00 -1.56 0.00 0.00 34.95 32.25 1huj s ARG 5 CO 0.06 -0.36 0.20 -1.14 -0.81 0.00 0.00 175.30 173.24 1huj s GLN 6 N 2.01 4.18 -0.07 5.12 0.74 -1.26 0.13 119.66 130.51 1huj s GLN 6 Ca 0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 1huj s GLN 6 Cb -0.13 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1huj s GLN 6 CO -0.05 0.30 0.01 0.42 -0.55 0.00 0.00 175.29 175.41 1huj s ILE 7 N 0.33 4.31 0.00 -2.34 -1.09 0.14 0.44 121.20 122.99 1huj s ILE 7 Ca 0.12 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1huj s ILE 7 Cb -0.12 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1huj s ILE 7 CO 0.01 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1huj n GLY 8 N 1.97 -1.63 3.86 6.18 0.00 -1.26 -0.55 105.19 113.75 1huj n GLY 8 Ca -0.18 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1huj n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huj s ALA 9 N -1.73 3.70 0.48 4.61 0.00 -1.26 -4.65 121.76 122.90 1huj s ALA 9 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.42 1huj s ALA 9 Cb 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 1huj s ALA 9 CO 0.00 0.53 1.33 0.21 0.00 0.00 0.00 175.76 177.83 1huj s LYS 10 N -1.68 3.52 -0.59 0.00 2.20 -1.26 -3.76 119.74 118.17 1huj s LYS 10 Ca 0.31 2.18 -0.02 0.00 -0.36 0.00 0.00 55.97 58.08 1huj s LYS 10 Cb -0.15 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1huj s LYS 10 CO 0.17 -0.87 0.53 0.09 -0.36 0.00 0.00 175.35 174.91 1huj n ASN 11 N -0.54 -5.31 -3.62 1.43 3.02 -1.26 0.37 115.26 109.35 1huj n ASN 11 Ca 0.07 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.24 1huj n ASN 11 Cb 0.45 -3.64 -0.07 0.00 -0.61 0.00 0.00 39.78 35.91 1huj n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1huj s THR 12 N -3.15 0.00 0.62 3.41 2.01 -1.25 -4.61 115.64 112.67 1huj s THR 12 Ca 0.17 0.00 0.33 0.00 0.31 0.00 0.00 61.69 62.50 1huj s THR 12 Cb -0.02 -1.00 0.38 0.00 0.01 0.00 0.00 72.50 71.86 1huj s THR 12 CO 0.48 0.00 2.20 -0.07 -0.69 0.00 0.00 174.62 176.54 1huj h LEU 13 N 3.96 0.00 0.00 4.42 3.38 -1.97 -1.67 115.31 123.43 1huj h LEU 13 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1huj h LEU 13 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1huj h LEU 13 CO 0.14 0.00 -0.17 -0.62 0.09 0.00 0.00 178.44 177.88 1huj n GLU 14 N -3.55 0.25 -1.99 1.13 4.71 -1.26 -4.92 120.64 115.01 1huj n GLU 14 Ca -0.01 0.16 -0.42 0.00 -0.01 0.00 0.00 57.16 56.88 1huj n GLU 14 Cb 0.19 -1.75 -0.03 0.00 -1.01 0.00 0.00 31.44 28.84 1huj n GLU 14 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1huj s TYR 15 N -3.11 2.77 -0.03 -0.32 5.04 -0.63 -4.08 117.35 116.99 1huj s TYR 15 Ca 0.10 0.54 -0.04 0.00 -2.44 0.00 0.00 57.07 55.23 1huj s TYR 15 Cb 0.13 -3.89 0.01 0.00 0.35 0.00 0.00 41.96 38.56 1huj s TYR 15 CO 0.63 -3.40 0.11 0.15 -1.34 0.00 0.00 175.55 171.70 1huj s LYS 16 N 1.96 0.22 -0.05 4.97 1.02 0.29 -4.33 119.74 123.82 1huj s LYS 16 Ca 0.71 -0.01 0.06 0.00 0.02 0.00 0.00 55.97 56.74 1huj s LYS 16 Cb -0.40 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.00 1huj s LYS 16 CO 0.31 -0.04 -0.23 0.08 -0.92 0.00 0.00 175.35 174.55 1huj s VAL 17 N -0.35 1.92 0.02 3.17 1.01 0.38 0.26 120.40 126.81 1huj s VAL 17 Ca -0.04 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1huj s VAL 17 Cb -0.03 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1huj s VAL 17 CO 0.00 0.54 -0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1huj s TYR 18 N -0.14 2.72 -0.07 5.22 1.51 0.12 -1.08 117.35 125.64 1huj s TYR 18 Ca -0.03 -0.15 -0.27 0.00 -1.01 0.00 0.00 57.07 55.62 1huj s TYR 18 Cb -0.13 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1huj s TYR 18 CO 0.03 0.30 0.85 0.42 -1.11 0.00 0.00 175.55 176.04 1huj s ILE 19 N -0.94 4.93 -0.07 2.71 1.01 -1.26 -0.49 121.20 127.08 1huj s ILE 19 Ca 0.16 1.74 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 1huj s ILE 19 Cb -0.11 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1huj s ILE 19 CO 0.06 0.15 0.04 -1.61 0.00 0.00 0.00 174.94 173.58 1huj s GLU 20 N 1.25 3.05 -0.31 2.79 2.02 0.82 -1.59 118.70 126.73 1huj s GLU 20 Ca 0.43 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.98 1huj s GLU 20 Cb -0.19 -2.86 0.03 0.00 0.10 0.00 0.00 34.13 31.22 1huj s GLU 20 CO 0.20 0.70 0.06 0.21 0.02 0.00 0.00 175.26 176.45 1huj s LYS 21 N -1.09 2.75 -1.38 1.61 2.20 0.44 -0.42 119.74 123.84 1huj s LYS 21 Ca 0.16 -1.08 -0.08 0.00 -0.36 0.00 0.00 55.97 54.61 1huj s LYS 21 Cb -0.12 -3.33 0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1huj s LYS 21 CO 0.05 -0.56 1.07 -0.25 -0.36 0.00 0.00 175.35 175.30 1huj n ASP 22 N 4.78 -4.96 0.00 1.43 8.00 -1.26 -1.21 116.55 123.33 1huj n ASP 22 Ca -0.14 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1huj n ASP 22 Cb 0.46 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1huj n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huj n GLY 23 N -1.77 3.21 3.59 0.44 0.00 -1.26 -5.02 105.19 104.37 1huj n GLY 23 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1huj n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huj s LYS 24 N -0.50 3.71 0.23 1.61 1.02 -0.35 -4.95 119.74 120.51 1huj s LYS 24 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.26 1huj s LYS 24 Cb 0.00 -3.03 -0.10 0.00 -0.52 0.00 0.00 37.83 34.18 1huj s LYS 24 CO 0.00 0.33 1.50 -1.25 -0.92 0.00 0.00 175.35 175.01 1huj s PRO 25 N 0.17 4.23 0.38 -1.68 0.04 -1.26 -0.42 135.00 136.46 1huj s PRO 25 Ca 0.01 2.35 0.05 0.00 0.04 0.00 0.00 61.00 63.45 1huj s PRO 25 Cb -0.13 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1huj s PRO 25 CO 0.02 -0.51 0.04 0.14 0.04 0.00 0.00 177.00 176.73 1huj s VAL 26 N 0.38 1.44 -0.02 -0.36 -7.23 -0.62 -4.36 120.40 109.64 1huj s VAL 26 Ca 0.63 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1huj s VAL 26 Cb -0.43 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1huj s VAL 26 CO 0.40 0.00 1.18 -0.55 -0.31 0.00 0.00 175.10 175.82 1huj s SER 27 N -3.62 7.08 0.52 4.85 0.15 -1.26 -4.46 113.70 116.97 1huj s SER 27 Ca 0.32 1.86 0.32 0.00 0.70 0.00 0.00 55.95 59.15 1huj s SER 27 Cb 0.08 -2.56 1.20 0.00 -1.71 0.00 0.00 66.02 63.02 1huj s SER 27 CO 0.15 -0.53 1.92 0.00 1.20 0.00 0.00 173.24 175.98 1huj h ALA 28 N 7.22 1.00 0.20 5.45 0.00 -1.63 -1.20 119.26 130.30 1huj h ALA 28 Ca -0.37 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.20 1huj h ALA 28 Cb 1.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1huj h ALA 28 CO 0.85 0.00 -1.68 0.35 0.00 0.00 0.00 179.25 178.77 1huj h PHE 29 N 0.00 0.77 0.00 0.00 3.04 -1.82 -3.42 116.94 115.51 1huj h PHE 29 Ca 0.00 -0.56 -0.02 0.00 3.98 0.00 0.00 57.97 61.37 1huj h PHE 29 Cb 0.58 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 1huj h PHE 29 CO 0.00 1.64 -1.08 0.72 -2.02 0.00 0.00 178.31 177.56 1huj n HIS 30 N -3.61 0.00 1.00 0.41 -0.00 -1.19 -0.59 115.22 111.24 1huj n HIS 30 Ca -0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.60 1huj n HIS 30 Cb 1.08 -0.06 -0.06 0.00 -0.00 0.00 0.00 29.99 30.95 1huj n HIS 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1huj n ASP 31 N -1.93 1.23 -4.61 0.41 8.00 -0.46 -4.77 116.55 114.42 1huj n ASP 31 Ca -0.02 -1.09 -0.41 0.00 0.71 0.00 0.00 54.79 53.99 1huj n ASP 31 Cb 0.42 0.82 -0.07 0.00 -0.02 0.00 0.00 41.12 42.27 1huj n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1huj s ILE 32 N -2.86 4.97 0.34 0.53 -1.09 -1.23 -4.90 121.20 116.95 1huj s ILE 32 Ca 0.11 0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 59.16 1huj s ILE 32 Cb 0.17 -3.96 -0.11 0.00 -1.58 0.00 0.00 42.46 36.97 1huj s ILE 32 CO 0.78 -0.07 1.52 -2.65 -1.23 0.00 0.00 174.94 173.29 1huj n PRO 33 N 5.79 2.65 -0.19 2.79 -0.02 -1.26 -4.29 135.00 140.46 1huj n PRO 33 Ca -0.01 0.93 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1huj n PRO 33 Cb 0.49 -2.68 0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1huj n PRO 33 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1huj h LEU 34 N 3.68 0.62 -9.36 2.45 5.85 -1.89 -3.37 115.31 113.29 1huj h LEU 34 Ca -0.49 -0.01 -0.61 0.00 0.84 0.00 0.00 57.88 57.61 1huj h LEU 34 Cb 1.24 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1huj h LEU 34 CO 0.70 0.44 -0.46 -0.31 -0.34 0.00 0.00 178.44 178.47 1huj s TYR 35 N -6.15 3.46 -0.19 1.25 2.02 -1.26 -0.50 117.35 115.99 1huj s TYR 35 Ca -0.13 0.42 0.19 0.00 -0.37 0.00 0.00 57.07 57.18 1huj s TYR 35 Cb 0.13 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1huj s TYR 35 CO 0.75 0.39 1.01 0.00 -1.57 0.00 0.00 175.55 176.12 1huj h ALA 36 N 6.27 0.61 -1.17 3.71 0.00 -0.47 -3.44 119.26 124.77 1huj h ALA 36 Ca -0.44 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 1huj h ALA 36 Cb 1.17 0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 1huj h ALA 36 CO 0.72 0.46 -0.43 0.34 0.00 0.00 0.00 179.25 180.34 1huj s ASP 37 N -5.69 -1.13 0.09 0.00 -1.08 -0.45 -4.98 116.67 103.44 1huj s ASP 37 Ca -0.01 -0.12 -0.27 0.00 -0.52 0.00 0.00 52.55 51.63 1huj s ASP 37 Cb 0.09 1.79 -0.13 0.00 -1.46 0.00 0.00 42.92 43.21 1huj s ASP 37 CO 0.79 -0.29 1.67 0.50 0.52 0.00 0.00 175.17 178.36 1huj h LYS 38 N 7.86 -0.43 0.00 4.34 1.63 -1.85 0.17 116.57 128.29 1huj h LYS 38 Ca -0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1huj h LYS 38 Cb 1.17 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1huj h LYS 38 CO 0.17 -0.29 0.00 1.49 -3.45 0.00 0.00 179.45 177.37 1huj h GLU 39 N -0.44 0.00 -0.14 1.90 4.57 -1.97 0.16 114.58 118.66 1huj h GLU 39 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1huj h GLU 39 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1huj h GLU 39 CO -0.02 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.90 1huj n ASN 40 N -3.05 2.44 -3.26 1.04 3.02 -1.11 -4.98 115.26 109.35 1huj n ASN 40 Ca -0.01 -1.70 -0.23 0.00 -0.03 0.00 0.00 54.58 52.61 1huj n ASN 40 Cb 0.22 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1huj n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1huj n ASN 41 N 0.77 -6.27 -4.58 6.41 3.02 0.57 -4.96 115.26 110.22 1huj n ASN 41 Ca 0.10 -0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 1huj n ASN 41 Cb 0.38 -5.00 -0.06 0.00 -0.61 0.00 0.00 39.78 34.49 1huj n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1huj s ILE 42 N -3.24 4.83 0.20 2.41 1.01 -0.44 -4.52 121.20 121.45 1huj s ILE 42 Ca 0.43 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1huj s ILE 42 Cb -0.19 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1huj s ILE 42 CO 0.53 -0.33 0.36 -0.36 0.00 0.00 0.00 174.94 175.14 1huj s PHE 43 N 2.85 3.48 -0.19 3.97 0.08 -0.59 0.22 117.98 127.80 1huj s PHE 43 Ca 0.27 0.24 -0.20 0.00 0.12 0.00 0.00 56.93 57.36 1huj s PHE 43 Cb -0.14 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1huj s PHE 43 CO 0.15 0.41 0.60 -0.80 -0.10 0.00 0.00 175.22 175.48 1huj s ASN 44 N -3.30 6.67 -0.18 1.36 0.01 0.35 -1.61 114.94 118.24 1huj s ASN 44 Ca 0.37 0.81 -0.09 0.00 -0.71 0.00 0.00 52.86 53.24 1huj s ASN 44 Cb -0.11 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 1huj s ASN 44 CO 0.29 -0.23 0.12 -0.32 -1.51 0.00 0.00 177.10 175.46 1huj s MET 45 N 1.72 4.00 -0.44 -0.60 -2.45 0.16 -4.29 119.30 117.40 1huj s MET 45 Ca 0.28 -0.22 -0.20 0.00 -1.25 0.00 0.00 55.69 54.29 1huj s MET 45 Cb -0.16 -3.34 0.03 0.00 1.25 0.00 0.00 34.83 32.61 1huj s MET 45 CO 0.11 0.39 0.62 0.08 1.05 0.00 0.00 175.02 177.27 1huj s VAL 46 N 0.08 4.85 -0.02 10.11 1.01 -0.60 -1.55 120.40 134.28 1huj s VAL 46 Ca 0.09 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1huj s VAL 46 Cb -0.11 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1huj s VAL 46 CO -0.01 -0.59 1.14 -0.69 0.00 0.00 0.00 175.10 174.95 1huj s VAL 47 N 2.75 4.37 -0.19 2.92 1.01 -0.34 -1.28 120.40 129.64 1huj s VAL 47 Ca 0.21 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.88 1huj s VAL 47 Cb -0.15 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1huj s VAL 47 CO 0.18 0.05 -0.18 -0.62 0.00 0.00 0.00 175.10 174.53 1huj n GLU 48 N 4.65 0.46 -3.89 2.72 1.02 -0.08 0.43 120.64 125.95 1huj n GLU 48 Ca 0.09 0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 57.08 1huj n GLU 48 Cb 0.47 -1.35 -0.17 0.00 -0.02 0.00 0.00 31.44 30.38 1huj n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1huj s ILE 49 N -2.38 1.04 0.62 -3.67 1.01 -0.54 -4.47 121.20 112.83 1huj s ILE 49 Ca -0.26 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 1huj s ILE 49 Cb 0.07 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1huj s ILE 49 CO 0.42 0.22 1.31 -2.65 0.00 0.00 0.00 174.94 174.25 1huj n PRO 50 N 4.91 1.26 -1.77 2.79 -0.02 -1.26 -1.04 135.00 139.88 1huj n PRO 50 Ca -0.12 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1huj n PRO 50 Cb 0.49 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1huj n PRO 50 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1huj n ARG 51 N -1.69 2.62 -1.42 -0.52 0.63 -1.24 -3.08 116.66 111.97 1huj n ARG 51 Ca 0.15 0.92 -0.10 0.00 -0.92 0.00 0.00 57.85 57.90 1huj n ARG 51 Cb 0.47 -2.65 -0.04 0.00 0.45 0.00 0.00 32.46 30.69 1huj n ARG 51 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1huj n TRP 52 N 0.37 -0.07 -3.44 -0.14 8.01 0.22 -4.96 117.44 117.43 1huj n TRP 52 Ca 0.02 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.99 1huj n TRP 52 Cb 0.39 -1.95 0.01 0.00 -2.01 0.00 0.00 31.31 27.75 1huj n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1huj s THR 53 N -2.38 2.20 -0.03 -0.99 -4.23 -1.18 -4.69 115.64 104.35 1huj s THR 53 Ca 0.00 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1huj s THR 53 Cb 0.00 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1huj s THR 53 CO 0.00 0.00 -0.02 0.59 -0.54 0.00 0.00 174.62 174.65 1huj n ASN 54 N -1.87 3.97 -4.68 3.99 4.13 -1.26 -0.84 115.26 118.69 1huj n ASN 54 Ca 0.06 -0.01 -0.45 0.00 1.68 0.00 0.00 54.58 55.86 1huj n ASN 54 Cb 0.62 0.17 -0.04 0.00 -1.54 0.00 0.00 39.78 38.99 1huj n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1huj n ALA 55 N -2.42 1.71 -2.80 5.41 0.00 -1.26 -0.18 120.51 120.97 1huj n ALA 55 Ca -0.05 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 1huj n ALA 55 Cb 0.57 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 1huj n ALA 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1huj s LYS 56 N 1.86 3.47 0.13 0.00 2.20 -0.43 -4.85 119.74 122.12 1huj s LYS 56 Ca 0.81 -1.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1huj s LYS 56 Cb -0.61 -4.84 -0.04 0.00 -1.51 0.00 0.00 37.83 30.84 1huj s LYS 56 CO 0.39 -1.91 0.24 -0.51 -0.36 0.00 0.00 175.35 173.21 1huj s LEU 57 N 3.70 4.25 -0.27 5.43 1.43 -1.26 0.55 118.68 132.50 1huj s LEU 57 Ca 0.34 0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 53.33 1huj s LEU 57 Cb -0.06 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.42 1huj s LEU 57 CO -0.04 0.08 0.93 -1.83 0.23 0.00 0.00 176.35 175.71 1huj s GLU 58 N -3.07 0.62 0.09 1.70 -1.05 0.14 -4.74 118.70 112.39 1huj s GLU 58 Ca 0.34 0.72 -0.33 0.00 -0.15 0.00 0.00 54.97 55.55 1huj s GLU 58 Cb -0.11 0.30 -0.12 0.00 -0.44 0.00 0.00 34.13 33.76 1huj s GLU 58 CO 0.27 -0.08 1.77 -0.89 0.95 0.00 0.00 175.26 177.29 1huj n ILE 59 N 2.34 0.30 -2.69 1.83 5.41 -1.26 -0.70 119.36 124.59 1huj n ILE 59 Ca -0.13 -0.05 -0.42 0.00 1.00 0.00 0.00 62.75 63.15 1huj n ILE 59 Cb 0.56 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 1huj n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1huj s THR 60 N 2.48 4.81 -1.86 1.39 2.01 -0.12 -4.91 115.64 119.45 1huj s THR 60 Ca 0.83 2.03 0.28 0.00 0.31 0.00 0.00 61.69 65.14 1huj s THR 60 Cb -0.58 -4.30 0.45 0.00 0.01 0.00 0.00 72.50 68.07 1huj s THR 60 CO 0.41 0.13 1.78 -2.11 -0.69 0.00 0.00 174.62 174.13 1huj n ARG 61 N 4.11 0.93 -0.07 4.92 1.85 -1.26 -3.78 116.66 123.36 1huj n ARG 61 Ca 0.07 -0.43 0.05 0.00 -1.00 0.00 0.00 57.85 56.54 1huj n ARG 61 Cb 0.50 -1.49 0.09 0.00 -1.05 0.00 0.00 32.46 30.51 1huj n ARG 61 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1huj n GLU 62 N -0.66 1.43 -4.48 2.89 0.28 -1.24 0.19 120.64 119.06 1huj n GLU 62 Ca 0.15 -1.50 -0.30 0.00 -0.16 0.00 0.00 57.16 55.36 1huj n GLU 62 Cb 0.30 -1.23 -0.12 0.00 1.43 0.00 0.00 31.44 31.82 1huj n GLU 62 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1huj s GLU 63 N -0.95 1.86 0.15 3.44 2.02 -1.25 -4.64 118.70 119.34 1huj s GLU 63 Ca 0.17 -1.11 -0.31 0.00 0.02 0.00 0.00 54.97 53.73 1huj s GLU 63 Cb 0.10 -2.12 -0.08 0.00 0.10 0.00 0.00 34.13 32.13 1huj s GLU 63 CO 0.14 0.50 1.40 0.99 0.02 0.00 0.00 175.26 178.31 1huj s THR 64 N -1.03 3.16 -0.42 3.63 2.01 -1.26 -0.22 115.64 121.50 1huj s THR 64 Ca 0.16 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1huj s THR 64 Cb -0.10 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1huj s THR 64 CO 0.07 0.08 0.00 0.18 -0.69 0.00 0.00 174.62 174.27 1huj n LEU 65 N 3.60 0.23 -3.98 4.42 4.77 -1.26 -4.46 117.00 120.31 1huj n LEU 65 Ca 0.10 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 1huj n LEU 65 Cb 0.42 -1.99 0.02 0.00 -2.33 0.00 0.00 43.42 39.53 1huj n LEU 65 CO 0.59 -0.73 -0.18 0.59 -1.33 0.00 0.00 177.39 176.33 1huj n ASN 66 N -0.63 -4.41 -4.74 -1.43 3.02 0.69 -2.38 115.26 105.38 1huj n ASN 66 Ca -0.04 -1.20 -0.33 0.00 -0.03 0.00 0.00 54.58 52.98 1huj n ASN 66 Cb 0.39 -1.79 0.09 0.00 -0.61 0.00 0.00 39.78 37.86 1huj n ASN 66 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1huj s PRO 67 N -6.75 2.18 -0.25 3.52 0.04 -1.26 -4.17 135.00 128.30 1huj s PRO 67 Ca 0.38 1.49 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1huj s PRO 67 Cb -0.20 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1huj s PRO 67 CO 0.95 -1.75 0.99 0.42 0.04 0.00 0.00 177.00 177.64 1huj s ILE 68 N -2.39 4.69 0.37 0.56 1.01 -0.24 -0.94 121.20 124.25 1huj s ILE 68 Ca 0.68 1.83 0.05 0.00 0.00 0.00 0.00 60.65 63.20 1huj s ILE 68 Cb -0.23 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 1huj s ILE 68 CO 0.48 -0.22 0.05 0.27 0.00 0.00 0.00 174.94 175.52 1huj s ILE 69 N 3.19 1.40 0.08 2.92 -0.00 0.12 -0.47 121.20 128.44 1huj s ILE 69 Ca 0.42 -2.00 -0.26 0.00 -0.00 0.00 0.00 60.65 58.80 1huj s ILE 69 Cb -0.14 -2.80 -0.06 0.00 -0.00 0.00 0.00 42.46 39.45 1huj s ILE 69 CO 0.08 0.00 0.82 -1.58 -0.00 0.00 0.00 174.94 174.26 1huj s GLN 70 N -3.82 4.56 0.51 0.37 0.74 -1.26 -0.69 119.66 120.07 1huj s GLN 70 Ca 0.34 1.18 -0.23 0.00 0.05 0.00 0.00 55.36 56.70 1huj s GLN 70 Cb 0.08 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.78 1huj s GLN 70 CO 0.16 0.30 1.38 0.34 -0.55 0.00 0.00 175.29 176.91 1huj s ASP 71 N -0.18 5.49 0.12 6.67 2.15 0.19 -4.88 116.67 126.22 1huj s ASP 71 Ca 0.40 2.81 0.04 0.00 0.43 0.00 0.00 52.55 56.23 1huj s ASP 71 Cb -0.22 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.72 1huj s ASP 71 CO 0.25 -1.43 -0.09 0.42 -0.17 0.00 0.00 175.17 174.15 1huj s THR 72 N -1.27 0.98 -0.10 1.71 -4.23 -1.26 -0.72 115.64 110.74 1huj s THR 72 Ca 0.68 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1huj s THR 72 Cb -0.41 -1.63 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1huj s THR 72 CO 0.50 -0.71 0.03 -0.75 -0.54 0.00 0.00 174.62 173.15 1huj s LYS 73 N -3.42 0.43 -1.40 3.99 2.20 -0.11 -4.85 119.74 116.59 1huj s LYS 73 Ca 0.12 0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 55.70 1huj s LYS 73 Cb 0.01 -1.19 0.03 0.00 -1.51 0.00 0.00 37.83 35.18 1huj s LYS 73 CO -0.01 -0.41 0.85 1.63 -0.36 0.00 0.00 175.35 177.06 1huj n LYS 74 N 5.17 -5.42 -0.05 4.03 5.02 -1.26 -1.50 118.16 124.14 1huj n LYS 74 Ca -0.07 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1huj n LYS 74 Cb 0.49 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1huj n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1huj n GLY 75 N -1.64 1.90 3.73 0.72 0.00 -1.26 -4.99 105.19 103.66 1huj n GLY 75 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1huj n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huj s LYS 76 N -0.33 4.21 0.57 1.61 -0.14 -0.57 -5.06 119.74 120.04 1huj s LYS 76 Ca 0.00 0.00 -0.20 0.00 -1.36 0.00 0.00 55.97 54.41 1huj s LYS 76 Cb 0.00 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 1huj s LYS 76 CO 0.00 0.27 1.17 1.28 -0.76 0.00 0.00 175.35 177.32 1huj n LEU 77 N 3.50 4.70 -4.29 3.17 4.77 -1.26 -0.93 117.00 126.66 1huj n LEU 77 Ca -0.13 0.90 -0.33 0.00 -0.03 0.00 0.00 56.01 56.41 1huj n LEU 77 Cb 0.52 -1.49 -0.15 0.00 -2.33 0.00 0.00 43.42 39.97 1huj n LEU 77 CO 0.39 -1.19 -0.47 -0.60 -1.33 0.00 0.00 177.39 174.18 1huj s ARG 78 N -2.85 3.26 0.05 3.23 3.52 0.10 -4.84 118.95 121.42 1huj s ARG 78 Ca 0.74 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 55.68 1huj s ARG 78 Cb -0.42 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 1huj s ARG 78 CO 0.47 0.06 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.76 1huj s PHE 79 N 0.71 1.78 -0.02 5.12 0.40 -1.26 -1.31 117.98 123.40 1huj s PHE 79 Ca -0.07 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.65 1huj s PHE 79 Cb -0.16 -1.05 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 1huj s PHE 79 CO 0.02 0.11 0.68 0.08 0.70 0.00 0.00 175.22 176.80 1huj s VAL 80 N -0.86 4.92 0.82 -0.44 1.01 0.75 -4.90 120.40 121.70 1huj s VAL 80 Ca 0.07 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.35 1huj s VAL 80 Cb -0.09 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.36 1huj s VAL 80 CO 0.02 0.34 1.13 -0.13 0.00 0.00 0.00 175.10 176.46 1huj s ARG 81 N 0.24 1.86 -0.32 2.72 1.81 -1.26 -4.69 118.95 119.31 1huj s ARG 81 Ca 0.35 0.40 -0.22 0.00 -1.72 0.00 0.00 55.73 54.53 1huj s ARG 81 Cb -0.19 -1.91 -0.00 0.00 -0.45 0.00 0.00 34.95 32.40 1huj s ARG 81 CO 0.19 -1.72 0.74 -0.80 -0.68 0.00 0.00 175.30 173.03 1huj s ASN 82 N -4.14 6.59 -0.36 0.23 0.01 -1.24 -4.41 114.94 111.62 1huj s ASN 82 Ca 0.62 0.53 -0.05 0.00 -0.71 0.00 0.00 52.86 53.25 1huj s ASN 82 Cb -0.13 -2.38 0.07 0.00 0.41 0.00 0.00 41.25 39.21 1huj s ASN 82 CO 0.53 -0.60 0.13 0.00 -1.51 0.00 0.00 177.10 175.64 1huj n PHE 84 N 4.71 1.78 -0.23 0.00 7.35 -0.50 0.49 117.46 131.06 1huj n PHE 84 Ca -0.09 0.56 -0.08 0.00 -0.76 0.00 0.00 57.45 57.08 1huj n PHE 84 Cb 0.43 -2.37 0.15 0.00 0.35 0.00 0.00 39.48 38.04 1huj n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1huj n PRO 85 N 1.57 2.27 -3.52 -7.13 -0.04 -1.26 -4.98 135.00 121.91 1huj n PRO 85 Ca 0.11 -1.79 -0.32 0.00 -0.04 0.00 0.00 63.50 61.47 1huj n PRO 85 Cb 0.30 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1huj n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1huj s HIS 86 N -1.96 3.46 -0.34 0.54 3.76 0.18 -5.07 115.29 115.87 1huj s HIS 86 Ca 0.33 0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 55.97 1huj s HIS 86 Cb 0.27 -2.17 0.06 0.00 1.11 0.00 0.00 32.58 31.85 1huj s HIS 86 CO 0.07 0.36 0.07 -1.58 -0.85 0.00 0.00 174.74 172.82 1huj s HIS 87 N -1.71 3.33 0.00 1.40 2.46 -1.26 -3.34 115.29 116.17 1huj s HIS 87 Ca 0.43 -1.86 0.00 0.00 0.47 0.00 0.00 55.06 54.11 1huj s HIS 87 Cb -0.12 -2.40 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 1huj s HIS 87 CO 0.22 -0.82 0.00 0.41 -2.47 0.00 0.00 174.74 172.08 1huj n GLY 88 N 4.67 3.25 3.75 1.59 0.00 -1.26 -4.14 105.19 113.05 1huj n GLY 88 Ca -0.11 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1huj n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1huj s TYR 89 N 0.00 3.92 -2.10 1.61 1.51 -0.02 -4.83 117.35 117.43 1huj s TYR 89 Ca 0.00 1.84 0.20 0.00 -1.01 0.00 0.00 57.07 58.10 1huj s TYR 89 Cb 0.00 -2.98 0.34 0.00 -0.11 0.00 0.00 41.96 39.22 1huj s TYR 89 CO 0.00 0.38 1.29 0.44 -1.11 0.00 0.00 175.55 176.55 1huj n ILE 90 N 1.95 0.47 -4.27 2.71 -5.35 -1.26 0.71 119.36 114.32 1huj n ILE 90 Ca -0.01 -0.74 -0.15 0.00 -0.27 0.00 0.00 62.75 61.58 1huj n ILE 90 Cb 0.48 0.98 -0.10 0.00 -1.74 0.00 0.00 39.64 39.26 1huj n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1huj s HIS 91 N -1.35 1.35 -0.29 4.28 3.76 -1.26 -4.92 115.29 116.87 1huj s HIS 91 Ca 0.32 -0.85 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 1huj s HIS 91 Cb 0.19 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 33.13 1huj s HIS 91 CO 0.27 0.01 1.55 -0.80 -0.85 0.00 0.00 174.74 174.92 1huj s ASN 92 N -3.21 6.33 -0.19 1.40 0.01 -1.16 -3.63 114.94 114.48 1huj s ASN 92 Ca 0.21 1.34 -0.08 0.00 -0.71 0.00 0.00 52.86 53.62 1huj s ASN 92 Cb 0.04 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1huj s ASN 92 CO 0.04 -1.34 0.08 -0.47 -1.51 0.00 0.00 177.10 173.90 1huj s TYR 93 N 5.41 3.30 0.00 2.20 6.14 -0.20 -1.15 117.35 133.04 1huj s TYR 93 Ca 0.68 0.15 0.00 0.00 0.64 0.00 0.00 57.07 58.54 1huj s TYR 93 Cb -0.21 -2.11 0.00 0.00 0.42 0.00 0.00 41.96 40.06 1huj s TYR 93 CO 0.30 0.19 0.00 0.41 0.64 0.00 0.00 175.55 177.08 1huj n GLY 94 N 3.57 4.07 3.20 8.97 0.00 0.88 -0.90 105.19 124.98 1huj n GLY 94 Ca -0.16 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1huj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huj s ALA 95 N -1.71 -0.36 -0.17 4.61 0.00 -0.40 -1.01 121.76 122.72 1huj s ALA 95 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 1huj s ALA 95 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1huj s ALA 95 CO 0.00 -0.44 0.50 -0.06 0.00 0.00 0.00 175.76 175.76 1huj s PHE 96 N -3.17 3.42 0.72 0.00 0.08 -0.43 -1.56 117.98 117.04 1huj s PHE 96 Ca -0.00 0.81 -0.13 0.00 0.12 0.00 0.00 56.93 57.73 1huj s PHE 96 Cb 0.02 -2.63 0.03 0.00 -0.57 0.00 0.00 43.02 39.87 1huj s PHE 96 CO -0.07 -0.01 1.10 -1.25 -0.10 0.00 0.00 175.22 174.89 1huj s PRO 97 N 1.30 2.50 -1.60 0.24 0.04 -1.26 -3.63 135.00 132.58 1huj s PRO 97 Ca 0.25 1.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 1huj s PRO 97 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1huj s PRO 97 CO 0.10 -1.47 0.05 1.04 0.04 0.00 0.00 177.00 176.75 1huj n GLN 98 N -3.00 -1.76 -4.35 4.56 6.02 0.24 -4.21 117.38 114.87 1huj n GLN 98 Ca 0.10 0.91 -0.18 0.00 -0.01 0.00 0.00 57.00 57.81 1huj n GLN 98 Cb 0.52 -5.48 -0.10 0.00 1.02 0.00 0.00 30.24 26.21 1huj n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1huj s THR 99 N -2.96 1.57 -0.28 5.09 -4.23 -1.24 -4.23 115.64 109.36 1huj s THR 99 Ca 0.02 -2.15 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 1huj s THR 99 Cb -0.01 -2.15 0.11 0.00 1.34 0.00 0.00 72.50 71.78 1huj s THR 99 CO 0.03 -0.51 0.92 0.86 -0.54 0.00 0.00 174.62 175.38 1huj s TRP 100 N -3.08 -0.60 -0.91 3.99 -0.00 -0.42 -3.97 118.94 113.95 1huj s TRP 100 Ca 0.24 1.43 -0.14 0.00 -0.00 0.00 0.00 56.10 57.63 1huj s TRP 100 Cb 0.01 0.35 0.20 0.00 -0.00 0.00 0.00 33.47 34.04 1huj s TRP 100 CO 0.07 -0.29 0.93 -1.21 -0.00 0.00 0.00 176.95 176.46 1huj s GLU 101 N 0.42 3.71 -0.45 5.86 2.02 0.65 -4.46 118.70 126.44 1huj s GLU 101 Ca 0.01 -2.41 -0.43 0.00 0.02 0.00 0.00 54.97 52.16 1huj s GLU 101 Cb -0.05 -4.59 -0.18 0.00 0.10 0.00 0.00 34.13 29.41 1huj s GLU 101 CO -0.05 -1.42 1.97 -3.47 0.02 0.00 0.00 175.26 172.30 1huj n ASP 102 N 4.49 1.26 0.12 -0.19 -0.08 -1.26 -0.27 116.55 120.62 1huj n ASP 102 Ca 0.19 0.81 0.12 0.00 -1.51 0.00 0.00 54.79 54.40 1huj n ASP 102 Cb 0.46 -0.97 0.48 0.00 2.34 0.00 0.00 41.12 43.42 1huj n ASP 102 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1huj n PRO 103 N 6.48 0.19 -0.75 -0.67 -0.04 -1.26 -1.37 135.00 137.58 1huj n PRO 103 Ca 0.44 0.40 0.06 0.00 -0.04 0.00 0.00 63.50 64.35 1huj n PRO 103 Cb 0.01 -1.85 0.34 0.00 -0.04 0.00 0.00 33.50 31.97 1huj n PRO 103 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1huj n ASN 104 N -2.20 4.99 -3.95 3.54 3.02 -1.26 -4.30 115.26 115.10 1huj n ASN 104 Ca 0.02 -2.76 -0.12 0.00 -0.03 0.00 0.00 54.58 51.69 1huj n ASN 104 Cb 0.24 -0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 38.64 1huj n ASN 104 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1huj s VAL 105 N -2.45 0.20 0.01 2.41 1.01 -1.07 -5.06 120.40 115.44 1huj s VAL 105 Ca 0.46 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1huj s VAL 105 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.46 1huj s VAL 105 CO 0.14 -0.19 -0.13 -0.55 0.00 0.00 0.00 175.10 174.37 1huj s SER 106 N -0.73 1.53 0.28 3.32 0.15 -1.26 -2.64 113.70 114.34 1huj s SER 106 Ca -0.06 -0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 1huj s SER 106 Cb -0.05 -0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 1huj s SER 106 CO -0.00 0.11 0.54 -2.28 1.20 0.00 0.00 173.24 172.81 1huj s HIS 107 N -0.49 3.47 -0.24 3.44 2.46 -0.89 -4.93 115.29 118.12 1huj s HIS 107 Ca 0.04 0.66 0.02 0.00 0.47 0.00 0.00 55.06 56.25 1huj s HIS 107 Cb -0.06 -2.12 -0.16 0.00 -0.13 0.00 0.00 32.58 30.12 1huj s HIS 107 CO 0.00 0.20 -0.20 -0.35 -2.47 0.00 0.00 174.74 171.92 1huj n PRO 108 N -0.80 0.61 0.24 2.88 -0.04 -1.26 -2.94 135.00 133.69 1huj n PRO 108 Ca -0.01 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1huj n PRO 108 Cb 0.54 -1.47 0.58 0.00 -0.04 0.00 0.00 33.50 33.11 1huj n PRO 108 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1huj h GLU 109 N 0.00 0.00 -2.81 0.54 4.81 -2.00 -3.22 114.58 111.90 1huj h GLU 109 Ca -0.53 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.09 1huj h GLU 109 Cb 1.83 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.81 1huj h GLU 109 CO -0.08 0.20 -0.73 0.99 -0.73 0.00 0.00 179.01 178.66 1huj s THR 110 N -4.02 1.93 -1.00 0.32 2.01 -1.26 -4.86 115.64 108.76 1huj s THR 110 Ca -0.02 -3.67 -0.26 0.00 0.31 0.00 0.00 61.69 58.05 1huj s THR 110 Cb 0.12 -2.28 -0.21 0.00 0.01 0.00 0.00 72.50 70.14 1huj s THR 110 CO 0.62 -1.09 2.18 0.29 -0.69 0.00 0.00 174.62 175.93 1huj n LYS 111 N 2.30 0.20 -3.62 4.92 5.02 -1.17 -3.58 118.16 122.23 1huj n LYS 111 Ca 0.24 -1.47 -0.07 0.00 -2.02 0.00 0.00 58.31 54.99 1huj n LYS 111 Cb 0.40 -3.84 -0.05 0.00 -0.02 0.00 0.00 35.03 31.51 1huj n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1huj s ALA 112 N 16.58 -2.04 0.73 7.82 0.00 -1.15 -4.86 121.76 138.85 1huj s ALA 112 Ca 0.84 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 54.51 1huj s ALA 112 Cb -0.07 -1.23 0.12 0.00 0.00 0.00 0.00 23.12 21.94 1huj s ALA 112 CO 0.16 -0.24 1.02 0.14 0.00 0.00 0.00 175.76 176.83 1huj s VAL 113 N -0.68 2.17 0.79 0.00 -7.23 0.14 -2.10 120.40 113.49 1huj s VAL 113 Ca 0.03 -0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 59.57 1huj s VAL 113 Cb -0.02 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.32 1huj s VAL 113 CO -0.05 0.00 1.17 -0.83 -0.31 0.00 0.00 175.10 175.08 1huj s GLY 114 N -4.71 2.07 -0.06 2.32 0.00 -0.47 0.07 107.32 106.54 1huj s GLY 114 Ca 0.66 0.71 0.20 0.00 0.00 0.00 0.00 44.72 46.29 1huj s GLY 114 CO 0.45 1.11 1.58 2.09 0.00 0.00 0.00 173.10 178.33 1huj n ASP 115 N -3.25 4.29 -0.49 1.64 5.68 -1.22 -4.10 116.55 119.10 1huj n ASP 115 Ca 0.12 -2.22 -0.06 0.00 -0.50 0.00 0.00 54.79 52.13 1huj n ASP 115 Cb 0.51 -0.53 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 1huj n ASP 115 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1huj n ASN 116 N 1.38 -4.33 -4.53 -1.12 4.05 0.63 -4.98 115.26 106.36 1huj n ASN 116 Ca 0.25 0.16 -0.25 0.00 0.45 0.00 0.00 54.58 55.18 1huj n ASN 116 Cb 0.74 -2.39 -0.10 0.00 1.23 0.00 0.00 39.78 39.26 1huj n ASN 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1huj s ASP 117 N -2.55 3.65 0.73 1.20 1.01 -1.26 -4.72 116.67 114.73 1huj s ASP 117 Ca 0.00 -1.18 -0.16 0.00 0.71 0.00 0.00 52.55 51.92 1huj s ASP 117 Cb 0.00 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1huj s ASP 117 CO 0.00 -0.19 0.48 -2.65 0.21 0.00 0.00 175.17 173.03 1huj n PRO 118 N -0.76 0.27 -2.31 8.23 -0.02 -1.25 -0.26 135.00 138.90 1huj n PRO 118 Ca -0.05 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1huj n PRO 118 Cb 0.63 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1huj n PRO 118 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1huj s ILE 119 N -1.93 3.64 0.25 4.25 2.07 -1.26 -4.81 121.20 123.41 1huj s ILE 119 Ca 0.65 1.22 -0.30 0.00 -1.41 0.00 0.00 60.65 60.81 1huj s ILE 119 Cb -0.35 -3.78 -0.09 0.00 0.13 0.00 0.00 42.46 38.37 1huj s ILE 119 CO 0.59 0.12 1.21 -1.81 -1.91 0.00 0.00 174.94 173.14 1huj s ASP 120 N 0.86 7.05 -0.12 4.50 1.01 -1.25 -1.32 116.67 127.39 1huj s ASP 120 Ca 0.60 2.37 0.01 0.00 0.71 0.00 0.00 52.55 56.23 1huj s ASP 120 Cb -0.33 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.00 1huj s ASP 120 CO 0.32 -0.36 -0.14 -0.69 0.21 0.00 0.00 175.17 174.51 1huj s VAL 121 N -0.59 1.45 -0.48 -1.27 1.01 -0.18 -0.84 120.40 119.49 1huj s VAL 121 Ca 0.50 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1huj s VAL 121 Cb -0.35 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.76 1huj s VAL 121 CO 0.42 0.43 0.46 -0.76 0.00 0.00 0.00 175.10 175.65 1huj s LEU 122 N 1.21 5.46 -0.16 3.92 1.43 0.63 -0.08 118.68 131.09 1huj s LEU 122 Ca -0.02 -1.23 -0.22 0.00 -1.03 0.00 0.00 54.13 51.63 1huj s LEU 122 Cb -0.14 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1huj s LEU 122 CO -0.05 -0.72 0.65 -0.70 0.23 0.00 0.00 176.35 175.77 1huj s GLU 123 N 1.91 4.28 0.00 1.70 -6.30 -0.30 -1.03 118.70 118.95 1huj s GLU 123 Ca 0.07 0.70 0.20 0.00 -2.50 0.00 0.00 54.97 53.44 1huj s GLU 123 Cb -0.23 -3.54 0.43 0.00 0.00 0.00 0.00 34.13 30.79 1huj s GLU 123 CO 0.08 -0.16 1.36 0.44 0.02 0.00 0.00 175.26 177.00 1huj n ILE 124 N 4.44 0.66 -1.21 -3.70 -5.35 0.15 -3.00 119.36 111.35 1huj n ILE 124 Ca -0.01 -0.83 -0.30 0.00 -0.27 0.00 0.00 62.75 61.34 1huj n ILE 124 Cb 0.50 0.82 0.21 0.00 -1.74 0.00 0.00 39.64 39.43 1huj n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1huj s GLY 125 N -1.25 1.59 0.10 3.28 0.00 -1.26 -4.99 107.32 104.79 1huj s GLY 125 Ca 0.37 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 44.23 1huj s GLY 125 CO 0.28 -0.00 1.23 1.05 0.00 0.00 0.00 173.10 175.66 1huj h GLU 126 N -2.25 0.48 -6.50 2.90 4.11 -1.99 -3.45 114.58 107.89 1huj h GLU 126 Ca -0.48 -0.57 -0.52 0.00 0.07 0.00 0.00 59.36 57.86 1huj h GLU 126 Cb 1.30 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1huj h GLU 126 CO 0.43 1.20 0.33 0.99 0.07 0.00 0.00 179.01 182.04 1huj s THR 127 N -3.15 4.60 0.03 -1.06 2.01 -1.26 -5.02 115.64 111.79 1huj s THR 127 Ca -0.07 2.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.63 1huj s THR 127 Cb 0.08 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1huj s THR 127 CO 0.89 0.30 1.16 -0.63 -0.69 0.00 0.00 174.62 175.65 1huj s ILE 128 N 0.15 4.23 0.66 1.82 1.01 -1.26 -4.97 121.20 122.84 1huj s ILE 128 Ca 0.46 1.59 -0.04 0.00 0.00 0.00 0.00 60.65 62.67 1huj s ILE 128 Cb -0.22 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.29 1huj s ILE 128 CO 0.28 0.10 0.94 0.00 0.00 0.00 0.00 174.94 176.26 1huj s ALA 129 N 1.27 3.44 0.14 9.38 0.00 -1.26 -4.98 121.76 129.76 1huj s ALA 129 Ca 0.57 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1huj s ALA 129 Cb -0.27 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1huj s ALA 129 CO 0.28 -1.17 -0.09 1.52 0.00 0.00 0.00 175.76 176.29 1huj s TYR 130 N -3.09 2.72 0.05 0.00 1.13 -1.26 -4.25 117.35 112.64 1huj s TYR 130 Ca 0.60 -0.18 -0.30 0.00 -1.41 0.00 0.00 57.07 55.78 1huj s TYR 130 Cb -0.10 -1.38 -0.09 0.00 -1.10 0.00 0.00 41.96 39.29 1huj s TYR 130 CO 0.43 0.46 1.95 2.41 -2.51 0.00 0.00 175.55 178.29 1huj n THR 131 N 0.41 0.70 -0.18 -3.49 -1.04 -1.26 -1.62 114.28 107.80 1huj n THR 131 Ca -0.12 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1huj n THR 131 Cb 0.54 -2.27 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1huj n THR 131 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1huj n GLY 132 N 4.50 0.66 3.77 3.41 0.00 0.17 -5.00 105.19 112.69 1huj n GLY 132 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1huj n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1huj s GLN 133 N -0.75 4.16 -0.32 1.61 0.74 -0.64 -4.79 119.66 119.67 1huj s GLN 133 Ca 0.00 2.15 -0.06 0.00 0.05 0.00 0.00 55.36 57.50 1huj s GLN 133 Cb 0.00 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.24 1huj s GLN 133 CO 0.00 -0.33 0.07 0.08 -0.55 0.00 0.00 175.29 174.56 1huj s VAL 134 N -1.22 3.68 0.23 1.34 1.01 -1.26 -1.20 120.40 122.98 1huj s VAL 134 Ca 0.53 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1huj s VAL 134 Cb -0.38 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1huj s VAL 134 CO 0.50 -0.07 -0.12 -1.59 0.00 0.00 0.00 175.10 173.81 1huj s LYS 135 N 1.41 1.93 -0.27 2.72 -2.85 -0.59 -4.91 119.74 117.18 1huj s LYS 135 Ca -0.01 -1.48 -0.17 0.00 -1.00 0.00 0.00 55.97 53.31 1huj s LYS 135 Cb -0.19 -2.00 -0.03 0.00 -2.06 0.00 0.00 37.83 33.55 1huj s LYS 135 CO 0.02 0.38 0.45 -0.65 0.10 0.00 0.00 175.35 175.65 1huj s GLN 136 N -3.21 4.03 0.19 1.78 1.11 -1.26 0.36 119.66 122.67 1huj s GLN 136 Ca 0.27 0.19 0.07 0.00 0.01 0.00 0.00 55.36 55.91 1huj s GLN 136 Cb -0.07 -3.66 -0.05 0.00 -1.01 0.00 0.00 33.01 28.23 1huj s GLN 136 CO 0.15 -0.33 -0.15 0.14 0.01 0.00 0.00 175.29 175.12 1huj s VAL 137 N 2.21 1.69 -0.01 1.09 -7.23 -0.63 -0.30 120.40 117.21 1huj s VAL 137 Ca 0.18 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 1huj s VAL 137 Cb -0.16 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1huj s VAL 137 CO 0.10 -0.56 -0.12 -1.59 -0.31 0.00 0.00 175.10 172.61 1huj s LYS 138 N -3.50 2.43 0.30 4.82 -2.85 -0.33 -1.54 119.74 119.08 1huj s LYS 138 Ca 0.20 -0.76 -0.28 0.00 -1.00 0.00 0.00 55.97 54.14 1huj s LYS 138 Cb -0.01 -2.39 -0.09 0.00 -2.06 0.00 0.00 37.83 33.28 1huj s LYS 138 CO 0.06 0.60 1.01 0.00 0.10 0.00 0.00 175.35 177.12 1huj s ALA 139 N -0.86 3.28 -0.00 0.59 0.00 -1.26 -1.59 121.76 121.91 1huj s ALA 139 Ca 0.14 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1huj s ALA 139 Cb -0.11 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1huj s ALA 139 CO 0.04 0.01 0.00 1.28 0.00 0.00 0.00 175.76 177.09 1huj n LEU 140 N 0.86 0.00 0.00 0.00 4.77 0.66 -4.83 117.00 118.45 1huj n LEU 140 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1huj n LEU 140 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1huj n LEU 140 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1huj n GLY 141 N 2.73 -1.60 3.59 -0.72 0.00 -1.13 -1.73 105.19 106.34 1huj n GLY 141 Ca -0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1huj n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1huj s ILE 142 N -2.18 -0.00 0.23 -0.61 2.07 0.44 -0.55 121.20 120.60 1huj s ILE 142 Ca 0.00 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.32 1huj s ILE 142 Cb 0.00 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 1huj s ILE 142 CO 0.00 0.00 0.14 -0.04 -1.91 0.00 0.00 174.94 173.13 1huj s MET 143 N 1.50 2.79 -0.28 3.50 -1.94 -0.63 0.06 119.30 124.30 1huj s MET 143 Ca -0.09 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.83 1huj s MET 143 Cb -0.05 -2.51 0.08 0.00 2.01 0.00 0.00 34.83 34.36 1huj s MET 143 CO -0.17 0.42 0.04 0.00 -0.01 0.00 0.00 175.02 175.30 1huj s ALA 144 N -2.04 1.83 0.33 3.03 0.00 -1.26 -1.18 121.76 122.46 1huj s ALA 144 Ca 0.32 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 1huj s ALA 144 Cb -0.08 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1huj s ALA 144 CO 0.23 -1.48 0.77 -1.17 0.00 0.00 0.00 175.76 174.11 1huj s LEU 145 N 1.46 4.06 -0.68 0.00 2.96 -0.20 -0.20 118.68 126.08 1huj s LEU 145 Ca 0.04 1.36 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1huj s LEU 145 Cb -0.18 -4.12 0.29 0.00 0.50 0.00 0.00 46.19 42.68 1huj s LEU 145 CO -0.15 -0.21 0.96 0.18 -1.32 0.00 0.00 176.35 175.81 1huj n LEU 146 N -0.34 4.52 -4.56 -0.68 4.77 0.13 0.06 117.00 120.91 1huj n LEU 146 Ca 0.04 -5.51 -0.39 0.00 -0.03 0.00 0.00 56.01 50.11 1huj n LEU 146 Cb 0.53 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1huj n LEU 146 CO 0.41 2.14 1.58 -0.62 -1.33 0.00 0.00 177.39 179.57 1huj s ASP 147 N -2.71 5.38 -0.13 -1.43 -1.08 -1.03 -4.48 116.67 111.18 1huj s ASP 147 Ca 0.42 0.45 -0.12 0.00 -0.52 0.00 0.00 52.55 52.79 1huj s ASP 147 Cb 0.19 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 39.14 1huj s ASP 147 CO -0.05 -2.27 0.19 -0.62 0.52 0.00 0.00 175.17 172.94 1huj n GLU 148 N 9.07 -0.67 -0.52 4.34 4.71 -1.26 -1.72 120.64 134.59 1huj n GLU 148 Ca 0.20 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 58.10 1huj n GLU 148 Cb 0.51 -1.01 0.00 0.00 -1.01 0.00 0.00 31.44 29.94 1huj n GLU 148 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1huj n GLY 149 N 0.60 0.80 3.02 0.62 0.00 -1.26 -4.96 105.19 104.01 1huj n GLY 149 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1huj n GLY 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1huj s GLU 150 N -0.35 1.44 -0.24 1.61 -1.05 -0.70 -0.68 118.70 118.73 1huj s GLU 150 Ca 0.00 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.14 1huj s GLU 150 Cb 0.00 -1.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.45 1huj s GLU 150 CO 0.00 0.08 1.15 0.99 0.95 0.00 0.00 175.26 178.43 1huj s THR 151 N 0.46 4.45 -0.75 1.83 2.01 0.11 -2.47 115.64 121.27 1huj s THR 151 Ca -0.10 1.72 -0.06 0.00 0.31 0.00 0.00 61.69 63.56 1huj s THR 151 Cb -0.13 -4.22 0.19 0.00 0.01 0.00 0.00 72.50 68.35 1huj s THR 151 CO 0.02 -0.28 0.62 -0.62 -0.69 0.00 0.00 174.62 173.67 1huj s ASP 152 N 1.76 5.87 0.55 3.53 2.15 0.11 -4.44 116.67 126.20 1huj s ASP 152 Ca 0.49 -3.00 -0.19 0.00 0.43 0.00 0.00 52.55 50.28 1huj s ASP 152 Cb -0.17 -1.98 -0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1huj s ASP 152 CO 0.13 -0.39 1.16 0.26 -0.17 0.00 0.00 175.17 176.16 1huj s TRP 153 N -0.28 2.58 -0.22 -5.34 0.52 -1.26 -1.03 118.94 113.90 1huj s TRP 153 Ca 0.20 1.53 -0.03 0.00 0.02 0.00 0.00 56.10 57.82 1huj s TRP 153 Cb -0.15 -3.37 0.07 0.00 -1.15 0.00 0.00 33.47 28.87 1huj s TRP 153 CO -0.07 -1.81 0.06 0.15 0.02 0.00 0.00 176.95 175.31 1huj s LYS 154 N -3.25 0.58 0.20 4.98 -0.14 -0.33 -3.96 119.74 117.82 1huj s LYS 154 Ca 0.74 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 1huj s LYS 154 Cb -0.27 -1.97 -0.09 0.00 -1.68 0.00 0.00 37.83 33.82 1huj s LYS 154 CO 0.30 -0.75 1.35 0.08 -0.76 0.00 0.00 175.35 175.57 1huj s VAL 155 N 1.86 3.09 -0.29 3.17 1.01 -0.02 -1.60 120.40 127.61 1huj s VAL 155 Ca 0.02 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 1huj s VAL 155 Cb -0.17 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1huj s VAL 155 CO -0.14 0.13 0.31 -0.63 0.00 0.00 0.00 175.10 174.77 1huj s ILE 156 N 0.15 5.22 0.21 2.22 1.01 0.29 -0.27 121.20 130.03 1huj s ILE 156 Ca 0.58 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.58 1huj s ILE 156 Cb -0.38 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1huj s ILE 156 CO 0.39 0.13 0.02 0.00 0.00 0.00 0.00 174.94 175.48 1huj s ALA 157 N 1.96 1.61 0.01 9.38 0.00 -0.20 -0.25 121.76 134.27 1huj s ALA 157 Ca 0.12 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1huj s ALA 157 Cb -0.16 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1huj s ALA 157 CO 0.11 -0.33 -0.07 -1.50 0.00 0.00 0.00 175.76 173.97 1huj s ILE 158 N -3.59 0.52 0.28 0.00 2.07 -0.62 -0.67 121.20 119.19 1huj s ILE 158 Ca 0.29 -0.51 -0.30 0.00 -1.41 0.00 0.00 60.65 58.71 1huj s ILE 158 Cb 0.06 -0.49 -0.12 0.00 0.13 0.00 0.00 42.46 42.05 1huj s ILE 158 CO 0.08 -0.01 1.57 -0.67 -1.91 0.00 0.00 174.94 174.00 1huj n ASP 159 N 2.49 3.67 0.29 4.50 -0.08 -1.26 -1.18 116.55 124.97 1huj n ASP 159 Ca -0.16 1.14 0.19 0.00 -1.51 0.00 0.00 54.79 54.45 1huj n ASP 159 Cb 0.57 -1.56 0.83 0.00 2.34 0.00 0.00 41.12 43.29 1huj n ASP 159 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1huj h ILE 160 N 3.31 0.00 -0.02 5.18 5.03 -0.99 -0.28 117.51 129.74 1huj h ILE 160 Ca -0.47 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 63.93 1huj h ILE 160 Cb 1.23 1.33 0.00 0.00 -3.03 0.00 0.00 36.82 36.35 1huj h ILE 160 CO 0.79 0.00 -0.25 0.59 -0.68 0.00 0.00 178.15 178.61 1huj n ASN 161 N -3.03 1.81 -4.76 1.72 3.02 -1.26 -4.84 115.26 107.92 1huj n ASN 161 Ca -0.00 -1.41 -0.41 0.00 -0.03 0.00 0.00 54.58 52.73 1huj n ASN 161 Cb 0.23 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1huj n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huj s ASP 162 N -2.32 6.87 0.50 6.41 -1.08 -0.12 -4.90 116.67 122.04 1huj s ASP 162 Ca 0.25 2.56 0.27 0.00 -0.52 0.00 0.00 52.55 55.12 1huj s ASP 162 Cb 0.19 -2.64 1.37 0.00 -1.46 0.00 0.00 42.92 40.39 1huj s ASP 162 CO 0.47 -0.48 1.88 -0.65 0.52 0.00 0.00 175.17 176.91 1huj h PRO 163 N 3.97 0.11 -0.00 4.34 0.11 -1.91 0.18 132.00 138.79 1huj h PRO 163 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1huj h PRO 163 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1huj h PRO 163 CO 0.69 0.07 -0.56 -0.11 -0.21 0.00 0.00 178.00 177.88 1huj n LEU 164 N -4.35 0.62 -0.36 2.35 7.94 -1.26 -4.58 117.00 117.37 1huj n LEU 164 Ca 0.18 -0.10 0.01 0.00 -1.11 0.00 0.00 56.01 55.00 1huj n LEU 164 Cb 0.88 -0.20 0.16 0.00 0.53 0.00 0.00 43.42 44.79 1huj n LEU 164 CO 0.36 0.15 1.28 0.00 -1.11 0.00 0.00 177.39 178.07 1huj h ALA 165 N 3.05 1.37 -0.65 1.96 0.00 -1.23 -0.48 119.26 123.28 1huj h ALA 165 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1huj h ALA 165 Cb 0.50 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1huj h ALA 165 CO 0.00 0.52 0.44 -1.35 0.00 0.00 0.00 179.25 178.86 1huj h PRO 166 N 1.23 0.31 0.00 0.00 0.11 -1.81 -1.86 132.00 129.98 1huj h PRO 166 Ca 0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1huj h PRO 166 Cb 0.05 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1huj h PRO 166 CO -0.13 0.21 -0.14 0.87 -0.21 0.00 0.00 178.00 178.60 1huj h LYS 167 N 0.32 0.00 -5.66 1.05 1.79 -1.41 -3.45 116.57 109.21 1huj h LYS 167 Ca 0.31 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 58.12 1huj h LYS 167 Cb 0.78 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.20 1huj h LYS 167 CO -0.08 0.00 -0.72 -0.51 -1.08 0.00 0.00 179.45 177.06 1huj s LEU 168 N -5.05 2.96 0.00 2.94 1.43 -0.70 -4.94 118.68 115.32 1huj s LEU 168 Ca 0.08 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1huj s LEU 168 Cb 0.10 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1huj s LEU 168 CO 0.65 0.24 0.00 -3.20 0.23 0.00 0.00 176.35 174.27 1huj n ASN 169 N 3.04 0.00 -4.28 2.29 2.85 -1.26 -4.88 115.26 113.02 1huj n ASN 169 Ca -0.18 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.08 1huj n ASN 169 Cb 0.53 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.45 1huj n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1huj s ASP 170 N -1.50 2.11 0.46 1.20 -1.08 -1.26 -4.58 116.67 112.01 1huj s ASP 170 Ca 0.00 -1.48 0.17 0.00 -0.52 0.00 0.00 52.55 50.72 1huj s ASP 170 Cb 0.00 0.19 1.08 0.00 -1.46 0.00 0.00 42.92 42.73 1huj s ASP 170 CO 0.00 -0.76 2.01 -0.29 0.52 0.00 0.00 175.17 176.65 1huj h ILE 171 N 2.10 1.04 0.00 4.11 6.09 -1.68 -0.66 117.51 128.51 1huj h ILE 171 Ca -0.38 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1huj h ILE 171 Cb 1.25 1.33 0.00 0.00 0.47 0.00 0.00 36.82 39.87 1huj h ILE 171 CO 0.62 0.17 0.00 -0.33 -3.07 0.00 0.00 178.15 175.54 1huj h GLU 172 N 0.00 0.00 0.00 2.19 3.07 -1.97 -1.44 114.58 116.44 1huj h GLU 172 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1huj h GLU 172 Cb 0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1huj h GLU 172 CO 0.02 0.00 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.05 1huj h ASP 173 N 0.00 0.00 -0.20 1.42 3.32 -1.50 -2.59 116.42 116.87 1huj h ASP 173 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1huj h ASP 173 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1huj h ASP 173 CO 0.00 0.14 -0.49 0.58 -1.72 0.00 0.00 179.24 177.76 1huj h VAL 174 N 0.00 1.32 0.00 -1.35 2.07 -1.34 -1.12 116.25 115.83 1huj h VAL 174 Ca -0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1huj h VAL 174 Cb 0.97 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1huj h VAL 174 CO 0.02 0.54 -0.04 -0.33 0.02 0.00 0.00 177.57 177.77 1huj h GLU 175 N 0.38 0.00 0.00 1.57 5.08 -1.52 0.29 114.58 120.39 1huj h GLU 175 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1huj h GLU 175 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1huj h GLU 175 CO 0.11 0.04 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.94 1huj h LYS 176 N 0.00 -0.00 0.00 2.33 3.64 -1.17 -3.30 116.57 118.07 1huj h LYS 176 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1huj h LYS 176 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1huj h LYS 176 CO 0.01 0.97 -1.80 0.66 -2.27 0.00 0.00 179.45 177.02 1huj n TYR 177 N -4.62 0.00 -2.78 1.91 4.01 -0.45 -4.53 117.16 110.70 1huj n TYR 177 Ca -0.10 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.40 1huj n TYR 177 Cb 0.47 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1huj n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1huj n PHE 178 N -2.11 3.12 -1.68 -0.72 3.01 0.10 -5.07 117.46 114.11 1huj n PHE 178 Ca -0.03 -3.56 -0.45 0.00 1.01 0.00 0.00 57.45 54.42 1huj n PHE 178 Cb 0.49 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 1huj n PHE 178 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1huj n PRO 179 N -0.25 2.44 0.00 -1.08 -0.04 -1.24 -1.97 135.00 132.87 1huj n PRO 179 Ca 0.31 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.66 1huj n PRO 179 Cb 0.56 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1huj n PRO 179 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1huj n GLY 180 N 4.02 3.32 0.34 0.55 0.00 -1.26 -4.90 105.19 107.26 1huj n GLY 180 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1huj n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1huj h LEU 181 N 0.00 0.66 -0.42 0.99 5.85 -1.74 -1.39 115.31 119.27 1huj h LEU 181 Ca 0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1huj h LEU 181 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1huj h LEU 181 CO 0.00 0.46 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.45 1huj h LEU 182 N 0.77 0.76 -1.04 2.25 3.38 -1.91 0.22 115.31 119.75 1huj h LEU 182 Ca 0.24 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1huj h LEU 182 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1huj h LEU 182 CO -0.06 0.91 -0.27 -0.09 0.09 0.00 0.00 178.44 179.02 1huj h ARG 183 N 0.60 0.35 0.08 1.13 9.65 -1.88 -0.08 114.38 124.24 1huj h ARG 183 Ca 0.11 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1huj h ARG 183 Cb 0.55 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1huj h ARG 183 CO 0.03 0.60 -0.04 0.00 2.80 0.00 0.00 179.97 183.37 1huj h ALA 184 N 1.40 -0.10 -0.80 2.80 0.00 -0.85 0.28 119.26 122.00 1huj h ALA 184 Ca 0.05 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.96 1huj h ALA 184 Cb 0.65 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1huj h ALA 184 CO 0.05 -0.38 0.23 1.15 0.00 0.00 0.00 179.25 180.30 1huj h THR 185 N -0.47 0.46 -0.37 0.00 2.02 -0.29 0.45 112.91 114.72 1huj h THR 185 Ca -0.01 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1huj h THR 185 Cb 0.40 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1huj h THR 185 CO 0.02 0.05 -0.10 -1.13 0.37 0.00 0.00 175.52 174.73 1huj h ASN 186 N 0.28 0.73 -0.43 4.18 -0.73 -0.61 -1.77 115.58 117.23 1huj h ASN 186 Ca 0.47 -0.37 -0.10 0.00 1.87 0.00 0.00 56.30 58.17 1huj h ASN 186 Cb 0.85 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 1huj h ASN 186 CO -0.55 0.93 -0.14 -0.08 -0.37 0.00 0.00 177.43 177.22 1huj h GLU 187 N 0.52 0.86 -0.30 6.67 4.81 0.85 -2.75 114.58 125.23 1huj h GLU 187 Ca 0.09 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1huj h GLU 187 Cb 0.62 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1huj h GLU 187 CO 0.04 0.98 -0.08 2.35 -0.73 0.00 0.00 179.01 181.57 1huj h TRP 188 N 0.68 0.66 0.00 0.92 7.01 0.36 -1.86 115.95 123.72 1huj h TRP 188 Ca 0.10 -0.14 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 1huj h TRP 188 Cb 0.69 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1huj h TRP 188 CO 0.05 0.78 -0.13 0.74 -2.79 0.00 0.00 178.44 177.09 1huj h PHE 189 N 0.35 0.00 0.07 2.65 0.04 -1.35 -0.48 116.94 118.22 1huj h PHE 189 Ca 0.08 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.58 1huj h PHE 189 Cb 0.57 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.73 1huj h PHE 189 CO 0.05 0.13 -1.11 -0.09 -0.60 0.00 0.00 178.31 176.69 1huj h ARG 190 N 0.00 0.44 0.00 1.51 2.43 -1.16 -3.37 114.38 114.23 1huj h ARG 190 Ca -0.00 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1huj h ARG 190 Cb 0.68 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1huj h ARG 190 CO 0.02 1.22 -1.21 0.44 -1.51 0.00 0.00 179.97 178.93 1huj n ILE 191 N -3.70 0.00 0.25 1.20 -5.35 -0.74 -1.46 119.36 109.57 1huj n ILE 191 Ca -0.09 -0.26 0.02 0.00 -0.27 0.00 0.00 62.75 62.15 1huj n ILE 191 Cb 0.93 0.50 0.13 0.00 -1.74 0.00 0.00 39.64 39.46 1huj n ILE 191 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1huj n TYR 192 N -1.70 0.00 0.19 4.28 4.11 -0.20 0.20 117.16 124.05 1huj n TYR 192 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.97 1huj n TYR 192 Cb 0.28 -0.23 -0.11 0.00 -0.00 0.00 0.00 39.34 39.27 1huj n TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1huj n LYS 193 N -1.23 0.86 -0.35 -3.48 5.02 -1.26 -4.58 118.16 113.12 1huj n LYS 193 Ca 0.03 -0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1huj n LYS 193 Cb 0.04 -1.34 0.19 0.00 -0.02 0.00 0.00 35.03 33.89 1huj n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1huj h ILE 194 N 0.00 1.02 0.00 -0.18 2.04 -0.35 0.34 117.51 120.39 1huj h ILE 194 Ca 0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1huj h ILE 194 Cb 0.63 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1huj h ILE 194 CO 0.00 0.19 -0.05 -0.65 0.00 0.00 0.00 178.15 177.64 1huj h PRO 195 N 1.06 0.00 -0.48 2.37 0.11 -1.81 -1.10 132.00 132.15 1huj h PRO 195 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1huj h PRO 195 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1huj h PRO 195 CO -0.21 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 177.38 1huj n ASP 196 N -3.38 2.34 0.00 -2.05 8.00 0.01 -4.87 116.55 116.59 1huj n ASP 196 Ca -0.02 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.36 1huj n ASP 196 Cb 0.19 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1huj n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huj n GLY 197 N 0.89 0.71 3.94 0.44 0.00 -0.42 -5.03 105.19 105.72 1huj n GLY 197 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1huj n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huj s LYS 198 N -0.23 3.14 1.16 1.61 -0.14 -0.57 -5.00 119.74 119.71 1huj s LYS 198 Ca 0.00 -0.31 -0.18 0.00 -1.36 0.00 0.00 55.97 54.12 1huj s LYS 198 Cb 0.00 -2.50 0.27 0.00 -1.68 0.00 0.00 37.83 33.92 1huj s LYS 198 CO 0.00 -0.29 1.11 -1.25 -0.76 0.00 0.00 175.35 174.16 1huj s PRO 199 N -4.62 -0.88 0.05 -1.68 0.04 -1.26 -3.83 135.00 122.82 1huj s PRO 199 Ca 0.48 0.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.27 1huj s PRO 199 Cb -0.10 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1huj s PRO 199 CO 0.40 -3.51 0.90 -2.00 0.04 0.00 0.00 177.00 172.83 1huj s GLU 200 N -5.33 4.59 1.05 4.56 2.12 -1.26 -4.30 118.70 120.14 1huj s GLU 200 Ca 0.70 1.31 -0.16 0.00 0.36 0.00 0.00 54.97 57.18 1huj s GLU 200 Cb -0.11 -3.40 0.22 0.00 0.26 0.00 0.00 34.13 31.09 1huj s GLU 200 CO 0.56 0.14 1.16 -0.80 -0.54 0.00 0.00 175.26 175.79 1huj s ASN 201 N 0.33 2.25 -0.11 -1.70 0.01 -0.53 -5.03 114.94 110.16 1huj s ASN 201 Ca 0.46 0.71 -0.04 0.00 -0.71 0.00 0.00 52.86 53.27 1huj s ASN 201 Cb -0.22 -1.04 0.06 0.00 0.41 0.00 0.00 41.25 40.46 1huj s ASN 201 CO 0.27 -3.31 0.22 0.00 -1.51 0.00 0.00 177.10 172.76 1huj s GLN 202 N -5.42 0.10 0.09 -0.60 0.00 -1.26 -4.64 119.66 107.92 1huj s GLN 202 Ca 0.69 0.66 -0.08 0.00 -0.00 0.00 0.00 55.36 56.64 1huj s GLN 202 Cb -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 33.01 32.71 1huj s GLN 202 CO 0.55 -0.29 0.37 -0.06 0.00 0.00 0.00 175.29 175.86 1huj s PHE 203 N 2.34 3.55 0.70 9.60 0.08 -1.26 -0.69 117.98 132.29 1huj s PHE 203 Ca 0.02 0.68 -0.08 0.00 0.12 0.00 0.00 56.93 57.67 1huj s PHE 203 Cb -0.12 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.29 1huj s PHE 203 CO -0.07 0.51 1.03 0.00 -0.10 0.00 0.00 175.22 176.59 1huj s ALA 204 N -1.46 3.05 -1.25 5.36 0.00 0.72 -4.14 121.76 124.03 1huj s ALA 204 Ca 0.35 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1huj s ALA 204 Cb -0.13 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1huj s ALA 204 CO 0.20 -1.24 0.15 1.19 0.00 0.00 0.00 175.76 176.06 1huj n PHE 205 N -2.94 -1.48 -4.13 0.00 3.72 -1.26 -0.52 117.46 110.86 1huj n PHE 205 Ca 0.07 0.13 -0.33 0.00 -0.05 0.00 0.00 57.45 57.27 1huj n PHE 205 Cb 0.59 -3.15 -0.02 0.00 -0.94 0.00 0.00 39.48 35.97 1huj n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1huj n SER 206 N -1.99 -2.80 -0.07 4.37 7.64 -1.26 -0.93 113.62 118.57 1huj n SER 206 Ca -0.14 -0.98 -0.01 0.00 1.01 0.00 0.00 58.87 58.75 1huj n SER 206 Cb 0.61 -2.96 -0.00 0.00 -1.01 0.00 0.00 64.21 60.85 1huj n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1huj n GLY 207 N -1.58 0.49 3.68 0.23 0.00 0.32 -5.01 105.19 103.33 1huj n GLY 207 Ca -0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1huj n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1huj s GLU 208 N -1.18 4.38 -0.38 1.61 2.12 -0.11 -5.00 118.70 120.14 1huj s GLU 208 Ca 0.00 1.51 -0.29 0.00 0.36 0.00 0.00 54.97 56.55 1huj s GLU 208 Cb 0.00 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.85 1huj s GLU 208 CO 0.00 -0.40 1.12 0.00 -0.54 0.00 0.00 175.26 175.44 1huj s ALA 209 N 2.22 3.35 0.70 6.30 0.00 -1.26 -4.51 121.76 128.55 1huj s ALA 209 Ca 0.51 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1huj s ALA 209 Cb -0.21 -3.77 0.01 0.00 0.00 0.00 0.00 23.12 19.16 1huj s ALA 209 CO 0.19 -1.81 1.08 0.15 0.00 0.00 0.00 175.76 175.37 1huj s LYS 210 N 4.01 2.89 0.36 0.00 1.02 0.11 -4.78 119.74 123.35 1huj s LYS 210 Ca 0.47 0.44 -0.05 0.00 0.02 0.00 0.00 55.97 56.86 1huj s LYS 210 Cb -0.11 -2.04 0.08 0.00 -0.52 0.00 0.00 37.83 35.24 1huj s LYS 210 CO 0.22 -1.00 0.49 0.27 -0.92 0.00 0.00 175.35 174.41 1huj n ASN 211 N -2.97 0.16 -0.04 2.83 6.94 -1.26 -0.42 115.26 120.49 1huj n ASN 211 Ca 0.07 -1.25 -0.09 0.00 -0.02 0.00 0.00 54.58 53.29 1huj n ASN 211 Cb 0.57 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 1huj n ASN 211 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1huj h LYS 212 N 0.00 0.03 -0.84 -3.83 3.64 -1.83 -0.78 116.57 112.96 1huj h LYS 212 Ca -0.16 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1huj h LYS 212 Cb 0.46 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1huj h LYS 212 CO 0.12 0.02 0.46 -0.22 -2.27 0.00 0.00 179.45 177.56 1huj h LYS 213 N 0.03 1.17 -0.55 1.90 1.63 -1.93 0.27 116.57 119.08 1huj h LYS 213 Ca 0.09 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1huj h LYS 213 Cb 0.13 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1huj h LYS 213 CO -0.18 0.86 0.21 -0.92 -3.45 0.00 0.00 179.45 175.97 1huj h TYR 214 N 1.17 0.81 -0.39 1.91 5.03 -1.76 -0.15 116.97 123.57 1huj h TYR 214 Ca 0.29 -0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.44 1huj h TYR 214 Cb 0.03 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 1huj h TYR 214 CO 0.01 0.63 -0.20 0.00 -1.32 0.00 0.00 178.16 177.28 1huj h ALA 215 N 1.44 0.56 -0.54 1.82 0.00 -0.09 -2.78 119.26 119.66 1huj h ALA 215 Ca 0.19 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1huj h ALA 215 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1huj h ALA 215 CO -0.02 0.52 0.10 -0.07 0.00 0.00 0.00 179.25 179.78 1huj h LEU 216 N 0.64 0.80 0.26 0.00 3.38 0.46 -0.15 115.31 120.70 1huj h LEU 216 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1huj h LEU 216 Cb 0.76 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1huj h LEU 216 CO 0.06 0.81 -0.12 0.44 0.09 0.00 0.00 178.44 179.71 1huj h ASP 217 N 0.81 -0.29 -0.06 -0.43 3.32 -1.06 -0.96 116.42 117.75 1huj h ASP 217 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1huj h ASP 217 Cb 0.35 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1huj h ASP 217 CO 0.00 -0.17 0.04 0.40 -1.72 0.00 0.00 179.24 177.79 1huj h ILE 218 N -0.39 1.01 -0.38 0.35 1.08 -1.34 -1.44 117.51 116.41 1huj h ILE 218 Ca -0.04 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1huj h ILE 218 Cb 0.30 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1huj h ILE 218 CO 0.06 0.01 0.14 0.40 -0.69 0.00 0.00 178.15 178.07 1huj h ILE 219 N 0.08 0.90 0.00 -0.67 2.04 -0.92 -0.69 117.51 118.25 1huj h ILE 219 Ca 0.02 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1huj h ILE 219 Cb -0.01 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1huj h ILE 219 CO -0.01 0.05 -0.28 0.11 0.00 0.00 0.00 178.15 178.03 1huj h LYS 220 N 0.29 0.00 -0.14 2.37 1.57 -0.94 -0.58 116.57 119.14 1huj h LYS 220 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1huj h LYS 220 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1huj h LYS 220 CO -0.17 0.28 0.06 0.93 -0.57 0.00 0.00 179.45 179.97 1huj h GLU 221 N 0.00 0.21 0.00 3.15 5.08 -0.07 -2.48 114.58 120.48 1huj h GLU 221 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1huj h GLU 221 Cb 0.52 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1huj h GLU 221 CO 0.04 0.30 -0.12 1.79 -1.00 0.00 0.00 179.01 180.02 1huj h THR 222 N 0.07 0.28 -0.23 1.13 1.35 0.08 -1.89 112.91 113.70 1huj h THR 222 Ca 0.05 -0.93 -0.19 0.00 -0.55 0.00 0.00 66.41 64.79 1huj h THR 222 Cb 0.17 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1huj h THR 222 CO -0.00 0.12 -0.61 -0.74 -0.25 0.00 0.00 175.52 174.04 1huj h HIS 223 N 0.00 0.99 -0.28 4.73 -0.00 -1.20 -0.84 115.15 118.55 1huj h HIS 223 Ca -0.00 -0.37 -0.09 0.00 -0.00 0.00 0.00 60.37 59.91 1huj h HIS 223 Cb 0.73 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1huj h HIS 223 CO 0.00 1.18 -0.20 -0.44 -0.00 0.00 0.00 177.93 178.47 1huj h ASP 224 N 0.57 0.51 -0.23 3.26 3.32 -1.10 -0.48 116.42 122.28 1huj h ASP 224 Ca -0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1huj h ASP 224 Cb 1.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1huj h ASP 224 CO 0.13 0.73 0.06 0.28 -1.72 0.00 0.00 179.24 178.71 1huj h SER 225 N 0.46 0.34 -0.87 6.45 0.02 -1.32 -2.58 113.55 116.06 1huj h SER 225 Ca 0.07 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1huj h SER 225 Cb 0.61 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1huj h SER 225 CO 0.04 0.47 0.56 -0.25 -1.14 0.00 0.00 176.83 176.51 1huj h TRP 226 N 0.19 1.05 -0.26 3.45 7.01 -1.08 -1.67 115.95 124.64 1huj h TRP 226 Ca 0.07 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.15 1huj h TRP 226 Cb 0.26 -0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 26.93 1huj h TRP 226 CO 0.01 0.60 -0.03 0.87 -2.79 0.00 0.00 178.44 177.10 1huj h LYS 227 N 1.08 0.04 0.00 2.65 1.57 -0.83 0.28 116.57 121.36 1huj h LYS 227 Ca 0.35 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1huj h LYS 227 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1huj h LYS 227 CO -0.12 0.03 -0.28 -0.56 -0.57 0.00 0.00 179.45 177.94 1huj h GLN 228 N 0.04 0.00 0.47 3.15 3.07 -1.38 -1.93 115.11 118.53 1huj h GLN 228 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.84 1huj h GLN 228 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1huj h GLN 228 CO -0.24 0.28 -0.23 1.25 0.09 0.00 0.00 178.83 179.99 1huj h LEU 229 N 0.00 -0.54 -1.42 0.06 5.85 -0.05 0.15 115.31 119.35 1huj h LEU 229 Ca -0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1huj h LEU 229 Cb 0.52 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1huj h LEU 229 CO 0.04 -0.20 -0.22 -0.29 -0.34 0.00 0.00 178.44 177.42 1huj h ILE 230 N -0.91 0.68 0.00 4.05 6.09 -0.47 0.03 117.51 126.97 1huj h ILE 230 Ca -0.07 -0.97 0.00 0.00 -1.37 0.00 0.00 64.86 62.46 1huj h ILE 230 Cb 0.59 1.62 0.00 0.00 0.47 0.00 0.00 36.82 39.49 1huj h ILE 230 CO 0.11 0.22 0.00 0.00 -3.07 0.00 0.00 178.15 175.40 1huj n ALA 231 N -2.28 2.34 -0.78 0.18 0.00 -0.73 -4.40 120.51 114.84 1huj n ALA 231 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1huj n ALA 231 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1huj n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1huj n GLY 232 N 0.79 0.75 0.46 0.00 0.00 -0.00 -4.71 105.19 102.48 1huj n GLY 232 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1huj n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1huj n LYS 233 N -2.39 1.50 -2.28 1.61 4.76 0.46 -4.94 118.16 116.89 1huj n LYS 233 Ca 0.00 -0.92 -0.36 0.00 -2.87 0.00 0.00 58.31 54.16 1huj n LYS 233 Cb 0.00 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1huj n LYS 233 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1huj s SER 234 N -2.13 6.00 0.35 4.39 0.15 -0.88 -4.90 113.70 116.68 1huj s SER 234 Ca 0.33 2.23 0.08 0.00 0.70 0.00 0.00 55.95 59.29 1huj s SER 234 Cb 0.20 -2.59 0.67 0.00 -1.71 0.00 0.00 66.02 62.59 1huj s SER 234 CO 0.38 -1.03 1.86 0.77 1.20 0.00 0.00 173.24 176.42 1huj h SER 235 N 1.67 0.30 -0.82 5.45 4.64 -1.92 -3.41 113.55 119.46 1huj h SER 235 Ca -0.50 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1huj h SER 235 Cb 1.25 -0.08 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 1huj h SER 235 CO 0.59 0.48 -0.33 -0.62 -0.87 0.00 0.00 176.83 176.08 1huj s ASP 236 N -6.85 -1.31 -0.76 4.97 2.15 -1.26 -5.01 116.67 108.62 1huj s ASP 236 Ca -0.06 -0.24 -0.01 0.00 0.43 0.00 0.00 52.55 52.67 1huj s ASP 236 Cb 0.15 1.74 0.38 0.00 -0.30 0.00 0.00 42.92 44.88 1huj s ASP 236 CO 0.75 -0.19 1.89 -1.54 -0.17 0.00 0.00 175.17 175.91 1huj n SER 237 N 4.80 7.13 -4.70 -0.34 3.41 -1.26 -4.97 113.62 117.68 1huj n SER 237 Ca 0.08 -3.81 -0.42 0.00 -0.26 0.00 0.00 58.87 54.45 1huj n SER 237 Cb 0.57 -0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1huj n SER 237 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1huj s LYS 238 N -3.96 4.14 0.00 4.33 0.00 -1.26 -2.93 119.74 120.06 1huj s LYS 238 Ca 0.53 2.57 0.00 0.00 0.00 0.00 0.00 55.97 59.08 1huj s LYS 238 Cb 0.44 -3.36 0.00 0.00 0.00 0.00 0.00 37.83 34.91 1huj s LYS 238 CO -0.32 -0.79 0.00 0.41 0.00 0.00 0.00 175.35 174.65 1huj n GLY 239 N 4.09 2.92 3.68 0.59 0.00 -1.26 -4.96 105.19 110.25 1huj n GLY 239 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1huj n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1huj s ILE 240 N -2.77 5.05 -0.35 -0.61 1.01 -1.15 -3.62 121.20 118.77 1huj s ILE 240 Ca 0.00 1.20 -0.21 0.00 0.00 0.00 0.00 60.65 61.64 1huj s ILE 240 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1huj s ILE 240 CO 0.00 0.16 0.69 -0.62 0.00 0.00 0.00 174.94 175.17 1huj s ASP 241 N 1.05 6.49 -0.01 3.58 -1.08 0.13 -4.93 116.67 121.90 1huj s ASP 241 Ca 0.30 0.28 0.21 0.00 -0.52 0.00 0.00 52.55 52.82 1huj s ASP 241 Cb -0.16 -2.35 0.63 0.00 -1.46 0.00 0.00 42.92 39.58 1huj s ASP 241 CO 0.12 -0.62 1.53 0.18 0.52 0.00 0.00 175.17 176.89 1huj n LEU 242 N 6.15 3.88 -4.71 -1.34 4.77 -1.26 -4.85 117.00 119.64 1huj n LEU 242 Ca 0.00 -1.94 -0.43 0.00 -0.03 0.00 0.00 56.01 53.61 1huj n LEU 242 Cb 0.48 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1huj n LEU 242 CO 0.50 0.92 1.07 0.41 -1.33 0.00 0.00 177.39 178.97 1huj n THR 243 N 1.50 1.23 -3.63 -5.08 -1.04 -1.26 -4.74 114.28 101.27 1huj n THR 243 Ca 0.24 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.05 61.83 1huj n THR 243 Cb 0.63 -1.68 -0.05 0.00 -1.82 0.00 0.00 70.33 67.41 1huj n THR 243 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1huj s ASN 244 N 0.22 -0.26 -0.03 8.00 2.20 -1.20 -4.44 114.94 119.44 1huj s ASN 244 Ca 0.64 -0.24 0.04 0.00 -0.94 0.00 0.00 52.86 52.36 1huj s ASN 244 Cb -0.57 0.47 0.07 0.00 -2.00 0.00 0.00 41.25 39.21 1huj s ASN 244 CO 0.52 -0.82 0.91 1.33 -2.94 0.00 0.00 177.10 176.11 1huj n VAL 245 N -0.07 0.80 0.00 3.54 0.24 -1.26 -0.60 118.33 120.98 1huj n VAL 245 Ca -0.17 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 1huj n VAL 245 Cb 0.63 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1huj n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1huj n THR 246 N -0.51 0.00 -3.56 3.34 -2.24 -1.26 -4.79 114.28 105.26 1huj n THR 246 Ca 0.04 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1huj n THR 246 Cb 0.47 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.39 1huj n THR 246 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1huj s LEU 247 N -1.22 5.84 0.00 3.22 1.43 -1.26 -4.96 118.68 121.73 1huj s LEU 247 Ca 0.00 -2.71 0.24 0.00 -1.03 0.00 0.00 54.13 50.63 1huj s LEU 247 Cb 0.00 -2.00 1.05 0.00 0.03 0.00 0.00 46.19 45.27 1huj s LEU 247 CO 0.00 -0.47 1.79 -2.65 0.23 0.00 0.00 176.35 175.24 1huj n PRO 248 N 3.79 0.01 0.00 1.29 -0.02 -1.26 -2.54 135.00 136.27 1huj n PRO 248 Ca 0.09 0.08 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 1huj n PRO 248 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 1huj n PRO 248 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1huj n ASP 249 N -1.49 1.46 -4.77 2.55 -0.08 -1.26 -4.94 116.55 108.03 1huj n ASP 249 Ca 0.06 -1.23 -0.35 0.00 -1.51 0.00 0.00 54.79 51.76 1huj n ASP 249 Cb 0.28 0.63 0.02 0.00 2.34 0.00 0.00 41.12 44.40 1huj n ASP 249 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1huj s THR 250 N -2.24 3.00 0.45 5.18 -4.23 -1.05 -4.89 115.64 111.86 1huj s THR 250 Ca 0.12 0.60 0.32 0.00 -1.18 0.00 0.00 61.69 61.55 1huj s THR 250 Cb 0.14 -3.22 0.32 0.00 1.34 0.00 0.00 72.50 71.08 1huj s THR 250 CO 0.53 -0.16 1.96 -0.65 -0.54 0.00 0.00 174.62 175.77 1huj h PRO 251 N 0.95 0.00 -0.00 3.99 0.11 -1.84 -2.89 132.00 132.31 1huj h PRO 251 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1huj h PRO 251 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1huj h PRO 251 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1huj n THR 252 N -2.75 0.15 -1.54 -1.15 -2.24 -1.26 -5.02 114.28 100.47 1huj n THR 252 Ca -0.02 -0.58 -0.48 0.00 -2.27 0.00 0.00 64.05 60.70 1huj n THR 252 Cb 0.21 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1huj n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1huj n TYR 253 N -0.05 0.85 -3.02 4.78 9.36 -1.09 -3.24 117.16 124.74 1huj n TYR 253 Ca 0.00 0.78 0.03 0.00 3.32 0.00 0.00 57.90 62.03 1huj n TYR 253 Cb 0.05 -2.19 -0.00 0.00 -0.63 0.00 0.00 39.34 36.57 1huj n TYR 253 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1huj s SER 254 N -0.40 -0.83 0.41 2.98 0.15 0.23 -4.88 113.70 111.37 1huj s SER 254 Ca 0.68 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.19 1huj s SER 254 Cb -0.85 1.22 0.92 0.00 -1.71 0.00 0.00 66.02 65.60 1huj s SER 254 CO 0.56 -0.11 2.00 0.11 1.20 0.00 0.00 173.24 177.00 1huj h LYS 255 N 6.56 0.51 0.00 5.44 1.57 -1.87 -2.13 116.57 126.65 1huj h LYS 255 Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1huj h LYS 255 Cb 1.20 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1huj h LYS 255 CO -0.00 0.33 -0.02 0.00 -0.57 0.00 0.00 179.45 179.19 1huj h ALA 256 N 1.70 1.28 -0.71 3.86 0.00 -1.96 -1.33 119.26 122.10 1huj h ALA 256 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1huj h ALA 256 Cb 0.29 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1huj h ALA 256 CO -0.07 0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.56 1huj h ALA 257 N 1.98 1.29 -0.32 0.00 0.00 -1.77 -0.03 119.26 120.40 1huj h ALA 257 Ca -0.00 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1huj h ALA 257 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1huj h ALA 257 CO 0.00 0.56 0.14 1.03 0.00 0.00 0.00 179.25 180.98 1huj h SER 258 N 1.00 0.19 0.14 0.00 0.87 -1.41 -2.75 113.55 111.59 1huj h SER 258 Ca 0.25 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1huj h SER 258 Cb 0.08 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1huj h SER 258 CO -0.04 0.15 -0.12 0.44 -0.53 0.00 0.00 176.83 176.74 1huj h ASP 259 N 0.30 0.00 0.95 6.23 3.32 -1.06 -2.35 116.42 123.81 1huj h ASP 259 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1huj h ASP 259 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1huj h ASP 259 CO -0.12 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1huj h ALA 260 N 1.88 1.00 -2.39 3.45 0.00 -0.84 -3.45 119.26 118.91 1huj h ALA 260 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1huj h ALA 260 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1huj h ALA 260 CO 0.01 0.00 0.63 0.42 0.00 0.00 0.00 179.25 180.31 1huj s ILE 261 N -3.37 4.17 0.83 0.00 -1.09 -0.88 -4.99 121.20 115.86 1huj s ILE 261 Ca 0.04 1.53 -0.15 0.00 -2.23 0.00 0.00 60.65 59.85 1huj s ILE 261 Cb 0.09 -3.98 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1huj s ILE 261 CO 0.47 0.06 0.35 -2.65 -1.23 0.00 0.00 174.94 171.93 1huj n PRO 262 N 4.58 0.04 -0.95 2.79 -0.02 -1.26 -4.99 135.00 135.20 1huj n PRO 262 Ca 0.10 0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 1huj n PRO 262 Cb 0.46 -1.74 0.14 0.00 -0.02 0.00 0.00 33.50 32.34 1huj n PRO 262 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1huj s PRO 263 N -2.98 1.44 0.23 0.52 0.02 -1.26 -4.97 135.00 128.02 1huj s PRO 263 Ca 0.60 1.57 -0.31 0.00 0.02 0.00 0.00 61.00 62.88 1huj s PRO 263 Cb -0.29 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 1huj s PRO 263 CO 0.64 -2.32 1.60 0.00 -0.33 0.00 0.00 177.00 176.59 1huj s ALA 264 N -2.49 3.79 0.40 -1.55 0.00 -1.26 -4.78 121.76 115.87 1huj s ALA 264 Ca 0.68 1.50 -0.25 0.00 0.00 0.00 0.00 51.96 53.90 1huj s ALA 264 Cb -0.24 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.15 1huj s ALA 264 CO 0.54 -0.89 1.10 -1.12 0.00 0.00 0.00 175.76 175.40 1huj s SER 265 N 0.81 6.64 -0.90 0.00 0.01 0.17 -4.98 113.70 115.46 1huj s SER 265 Ca 0.67 2.18 -0.01 0.00 1.31 0.00 0.00 55.95 60.11 1huj s SER 265 Cb -0.47 -2.60 0.34 0.00 0.21 0.00 0.00 66.02 63.51 1huj s SER 265 CO 0.39 -0.58 1.91 0.18 0.41 0.00 0.00 173.24 175.55 1huj n LEU 266 N 0.01 7.34 -4.29 2.44 4.32 -1.26 -4.89 117.00 120.68 1huj n LEU 266 Ca 0.05 -5.07 -0.32 0.00 -0.02 0.00 0.00 56.01 50.65 1huj n LEU 266 Cb 0.48 -1.08 -0.16 0.00 -1.62 0.00 0.00 43.42 41.04 1huj n LEU 266 CO 0.48 1.89 -0.55 -0.54 -1.22 0.00 0.00 177.39 177.45 1huj s LYS 267 N -4.15 2.61 0.66 3.23 -0.14 -1.26 -5.11 119.74 115.57 1huj s LYS 267 Ca 0.47 -0.87 -0.13 0.00 -1.36 0.00 0.00 55.97 54.08 1huj s LYS 267 Cb 0.35 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 34.27 1huj s LYS 267 CO -0.30 0.39 1.06 0.00 -0.76 0.00 0.00 175.35 175.74 1huj s ALA 268 N -0.17 2.68 0.25 5.17 0.00 -1.26 -4.60 121.76 123.82 1huj s ALA 268 Ca -0.03 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1huj s ALA 268 Cb -0.14 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1huj s ALA 268 CO 0.04 -1.08 1.29 -0.25 0.00 0.00 0.00 175.76 175.75 1huj n ASP 269 N -2.69 2.27 -4.77 0.00 9.92 -1.26 -4.41 116.55 115.61 1huj n ASP 269 Ca 0.08 1.16 -0.38 0.00 -0.53 0.00 0.00 54.79 55.12 1huj n ASP 269 Cb 0.53 -1.37 -0.01 0.00 -0.64 0.00 0.00 41.12 39.63 1huj n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1huj s ALA 270 N -0.36 3.06 0.37 2.24 0.00 0.16 -4.87 121.76 122.36 1huj s ALA 270 Ca 0.66 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 53.39 1huj s ALA 270 Cb -0.69 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 18.90 1huj s ALA 270 CO 0.53 -0.73 1.40 -0.35 0.00 0.00 0.00 175.76 176.60 1huj n PRO 271 N -0.27 2.40 -3.66 0.00 -0.04 -1.26 -4.69 135.00 127.49 1huj n PRO 271 Ca 0.06 0.84 -0.38 0.00 -0.04 0.00 0.00 63.50 63.99 1huj n PRO 271 Cb 0.46 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 1huj n PRO 271 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1huj s ILE 272 N -1.12 5.23 0.43 0.52 1.01 -1.26 -5.04 121.20 120.97 1huj s ILE 272 Ca 0.55 0.57 -0.26 0.00 0.00 0.00 0.00 60.65 61.51 1huj s ILE 272 Cb -0.51 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1huj s ILE 272 CO 0.63 0.59 1.41 -0.62 0.00 0.00 0.00 174.94 176.94 1huj s ASP 273 N -1.00 6.04 0.54 3.58 2.15 -1.26 -4.86 116.67 121.86 1huj s ASP 273 Ca 0.20 2.89 0.35 0.00 0.43 0.00 0.00 52.55 56.42 1huj s ASP 273 Cb -0.15 -2.65 1.67 0.00 -0.30 0.00 0.00 42.92 41.49 1huj s ASP 273 CO 0.09 -1.06 2.06 0.07 -0.17 0.00 0.00 175.17 176.16 1huj h LYS 274 N 2.51 0.00 0.00 4.34 2.10 -2.03 -0.28 116.57 123.22 1huj h LYS 274 Ca -0.51 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1huj h LYS 274 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1huj h LYS 274 CO 0.62 0.00 -0.00 0.66 -2.00 0.00 0.00 179.45 178.73 1huj h SER 275 N 0.00 0.00 1.29 7.07 4.64 -2.01 -0.09 113.55 124.45 1huj h SER 275 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1huj h SER 275 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1huj h SER 275 CO 0.00 0.00 0.00 0.40 -0.87 0.00 0.00 176.83 176.36 1huj h ILE 276 N 0.00 0.00 -0.45 0.95 1.08 -1.40 -2.51 117.51 115.18 1huj h ILE 276 Ca -0.00 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1huj h ILE 276 Cb 0.01 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1huj h ILE 276 CO 0.00 0.00 0.30 0.44 -0.69 0.00 0.00 178.15 178.20 1huj h ASP 277 N 0.00 0.44 -1.95 1.72 3.32 -1.18 -3.42 116.42 115.35 1huj h ASP 277 Ca 0.00 -0.01 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1huj h ASP 277 Cb 0.65 -0.10 0.06 0.00 0.22 0.00 0.00 39.33 40.15 1huj h ASP 277 CO 0.00 0.31 0.61 1.17 -1.72 0.00 0.00 179.24 179.61 1huj n LYS 278 N -4.48 1.60 -3.19 3.56 4.81 -0.95 -4.90 118.16 114.61 1huj n LYS 278 Ca 0.05 0.58 -0.41 0.00 -0.87 0.00 0.00 58.31 57.66 1huj n LYS 278 Cb 0.14 -2.28 -0.07 0.00 0.02 0.00 0.00 35.03 32.84 1huj n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1huj s TRP 279 N 0.72 3.22 -0.04 5.64 -0.11 -1.26 -3.66 118.94 123.45 1huj s TRP 279 Ca 0.82 0.51 -0.15 0.00 1.22 0.00 0.00 56.10 58.50 1huj s TRP 279 Cb -0.83 -2.88 -0.05 0.00 -1.50 0.00 0.00 33.47 28.21 1huj s TRP 279 CO 0.43 -0.42 0.39 -0.06 -4.62 0.00 0.00 176.95 172.67 1huj s PHE 280 N 2.45 3.66 -1.10 5.86 0.40 0.60 -4.95 117.98 124.91 1huj s PHE 280 Ca 0.22 0.91 0.09 0.00 -0.60 0.00 0.00 56.93 57.55 1huj s PHE 280 Cb -0.15 -2.31 0.07 0.00 0.51 0.00 0.00 43.02 41.13 1huj s PHE 280 CO 0.11 0.54 0.78 1.19 0.70 0.00 0.00 175.22 178.54