#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huk n TYR 2 N 0.00 -0.02 -4.29 -1.42 4.01 -0.58 -4.77 117.16 110.09 1huk n TYR 2 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1huk n TYR 2 Cb 0.00 0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 1huk n TYR 2 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1huk n THR 3 N -2.55 0.00 -4.34 -0.72 -2.24 -0.59 -4.94 114.28 98.90 1huk n THR 3 Ca 0.00 -1.34 -0.20 0.00 -2.27 0.00 0.00 64.05 60.25 1huk n THR 3 Cb 0.00 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 1huk n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1huk s THR 4 N -2.37 1.77 -0.10 4.28 -4.23 -1.26 -0.17 115.64 113.56 1huk s THR 4 Ca 0.11 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1huk s THR 4 Cb 0.01 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1huk s THR 4 CO 0.08 -0.49 -0.10 -0.60 -0.54 0.00 0.00 174.62 172.97 1huk s ARG 5 N -3.32 1.65 -0.21 3.99 3.52 0.34 -4.82 118.95 120.09 1huk s ARG 5 Ca 0.20 -0.34 -0.12 0.00 -0.13 0.00 0.00 55.73 55.35 1huk s ARG 5 Cb -0.03 -1.55 -0.05 0.00 -1.56 0.00 0.00 34.95 31.76 1huk s ARG 5 CO 0.07 -0.15 0.21 -1.14 -0.81 0.00 0.00 175.30 173.47 1huk s GLN 6 N 1.28 4.14 -0.22 5.12 0.74 -1.26 -0.55 119.66 128.91 1huk s GLN 6 Ca -0.03 -0.14 -0.09 0.00 0.05 0.00 0.00 55.36 55.15 1huk s GLN 6 Cb -0.14 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 1huk s GLN 6 CO -0.04 0.13 0.13 0.42 -0.55 0.00 0.00 175.29 175.38 1huk s ILE 7 N 0.84 5.14 0.00 -2.34 -1.09 0.21 -0.65 121.20 123.31 1huk s ILE 7 Ca 0.11 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1huk s ILE 7 Cb -0.13 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1huk s ILE 7 CO 0.03 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1huk n GLY 8 N 4.08 -0.56 3.82 6.18 0.00 -1.26 -0.40 105.19 117.05 1huk n GLY 8 Ca -0.16 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1huk n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huk s ALA 9 N -1.13 3.54 0.57 4.61 0.00 -1.26 -4.55 121.76 123.54 1huk s ALA 9 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 1huk s ALA 9 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1huk s ALA 9 CO 0.00 0.39 1.22 0.21 0.00 0.00 0.00 175.76 177.58 1huk s LYS 10 N -1.54 3.11 -0.75 0.00 2.20 -1.26 -3.58 119.74 117.92 1huk s LYS 10 Ca 0.35 1.86 -0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1huk s LYS 10 Cb -0.18 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 1huk s LYS 10 CO 0.20 -1.10 0.63 0.09 -0.36 0.00 0.00 175.35 174.81 1huk n ASN 11 N -1.37 -2.36 -3.63 1.43 3.02 -1.26 0.73 115.26 111.83 1huk n ASN 11 Ca 0.12 -0.40 -0.16 0.00 -0.03 0.00 0.00 54.58 54.12 1huk n ASN 11 Cb 0.49 -3.45 -0.07 0.00 -0.61 0.00 0.00 39.78 36.13 1huk n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1huk s THR 12 N -3.23 0.02 0.01 3.41 2.01 -1.23 -4.66 115.64 111.97 1huk s THR 12 Ca 0.03 -0.15 0.31 0.00 0.31 0.00 0.00 61.69 62.20 1huk s THR 12 Cb -0.00 -0.84 0.33 0.00 0.01 0.00 0.00 72.50 72.00 1huk s THR 12 CO 0.47 -0.08 1.94 -0.07 -0.69 0.00 0.00 174.62 176.18 1huk h LEU 13 N 3.71 0.00 0.00 4.42 3.38 -1.96 -2.01 115.31 122.84 1huk h LEU 13 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1huk h LEU 13 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1huk h LEU 13 CO 0.34 0.00 -0.40 -0.62 0.09 0.00 0.00 178.44 177.85 1huk n GLU 14 N -2.69 0.21 -2.02 1.13 4.71 -1.26 -4.92 120.64 115.80 1huk n GLU 14 Ca -0.00 0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.82 1huk n GLU 14 Cb 0.17 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 28.91 1huk n GLU 14 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1huk s TYR 15 N -3.11 3.06 -0.01 -0.32 5.04 -0.76 -4.24 117.35 117.01 1huk s TYR 15 Ca 0.09 0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 55.37 1huk s TYR 15 Cb 0.14 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.62 1huk s TYR 15 CO 0.67 -3.08 0.12 0.15 -1.34 0.00 0.00 175.55 172.07 1huk s LYS 16 N 1.31 0.37 -0.10 4.97 1.02 0.47 -4.45 119.74 123.33 1huk s LYS 16 Ca 0.68 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.46 1huk s LYS 16 Cb -0.41 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.07 1huk s LYS 16 CO 0.31 -0.08 -0.15 0.08 -0.92 0.00 0.00 175.35 174.59 1huk s VAL 17 N -0.94 1.47 -0.01 3.17 1.01 -0.04 0.64 120.40 125.69 1huk s VAL 17 Ca -0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1huk s VAL 17 Cb -0.06 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1huk s VAL 17 CO 0.01 0.43 0.09 -0.31 0.00 0.00 0.00 175.10 175.32 1huk s TYR 18 N 0.95 3.32 -0.11 5.22 1.51 0.29 -0.96 117.35 127.56 1huk s TYR 18 Ca -0.08 0.23 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1huk s TYR 18 Cb -0.15 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1huk s TYR 18 CO -0.01 0.56 0.74 0.42 -1.11 0.00 0.00 175.55 176.16 1huk s ILE 19 N -1.20 4.99 0.11 2.71 1.01 -1.26 -0.50 121.20 127.05 1huk s ILE 19 Ca 0.23 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.38 1huk s ILE 19 Cb -0.12 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1huk s ILE 19 CO 0.14 0.16 0.23 -1.61 0.00 0.00 0.00 174.94 173.86 1huk s GLU 20 N 1.37 3.38 -0.23 2.79 2.02 0.76 -1.07 118.70 127.71 1huk s GLU 20 Ca 0.37 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.82 1huk s GLU 20 Cb -0.17 -2.97 0.06 0.00 0.10 0.00 0.00 34.13 31.15 1huk s GLU 20 CO 0.16 0.56 -0.06 0.21 0.02 0.00 0.00 175.26 176.15 1huk s LYS 21 N -2.86 1.64 -1.41 1.61 2.20 0.14 -1.52 119.74 119.55 1huk s LYS 21 Ca 0.34 -0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 54.92 1huk s LYS 21 Cb -0.12 -2.57 0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1huk s LYS 21 CO 0.28 -0.59 0.80 -0.25 -0.36 0.00 0.00 175.35 175.24 1huk n ASP 22 N 4.68 -2.63 0.00 1.43 8.00 -1.26 -1.62 116.55 125.15 1huk n ASP 22 Ca -0.12 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1huk n ASP 22 Cb 0.44 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 1huk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huk n GLY 23 N -1.65 3.17 3.71 0.44 0.00 -1.26 -5.00 105.19 104.60 1huk n GLY 23 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1huk n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huk s LYS 24 N -0.45 3.92 0.15 1.61 1.02 -0.64 -4.92 119.74 120.43 1huk s LYS 24 Ca 0.00 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.41 1huk s LYS 24 Cb 0.00 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 33.97 1huk s LYS 24 CO 0.00 0.38 1.40 -1.25 -0.92 0.00 0.00 175.35 174.96 1huk s PRO 25 N 0.09 4.32 0.46 -1.68 0.04 -1.26 0.29 135.00 137.25 1huk s PRO 25 Ca 0.07 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.27 1huk s PRO 25 Cb -0.12 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1huk s PRO 25 CO -0.00 -0.42 0.01 0.14 0.04 0.00 0.00 177.00 176.78 1huk s VAL 26 N 0.84 1.48 -0.10 -0.36 -7.23 -0.24 -4.38 120.40 110.42 1huk s VAL 26 Ca 0.63 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 1huk s VAL 26 Cb -0.38 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1huk s VAL 26 CO 0.33 0.00 1.16 -0.55 -0.31 0.00 0.00 175.10 175.72 1huk s SER 27 N -3.78 7.08 0.47 4.85 0.15 -1.26 -4.41 113.70 116.81 1huk s SER 27 Ca 0.20 1.69 0.22 0.00 0.70 0.00 0.00 55.95 58.77 1huk s SER 27 Cb 0.05 -2.55 1.18 0.00 -1.71 0.00 0.00 66.02 63.00 1huk s SER 27 CO 0.10 -0.60 1.99 0.00 1.20 0.00 0.00 173.24 175.93 1huk h ALA 28 N 7.52 1.33 0.18 5.45 0.00 -1.63 0.12 119.26 132.23 1huk h ALA 28 Ca -0.31 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 1huk h ALA 28 Cb 1.14 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1huk h ALA 28 CO 0.90 0.24 -1.36 0.35 0.00 0.00 0.00 179.25 179.38 1huk h PHE 29 N 0.00 0.70 0.00 0.00 3.04 -1.81 -3.43 116.94 115.44 1huk h PHE 29 Ca -0.00 -0.51 -0.09 0.00 3.98 0.00 0.00 57.97 61.35 1huk h PHE 29 Cb 0.44 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1huk h PHE 29 CO 0.00 1.40 -1.35 0.72 -2.02 0.00 0.00 178.31 177.06 1huk n HIS 30 N -3.60 0.00 0.34 0.41 8.25 -1.00 -1.10 115.22 118.51 1huk n HIS 30 Ca -0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.45 1huk n HIS 30 Cb 1.06 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1huk n HIS 30 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1huk n ASP 31 N -2.62 0.61 -4.62 0.41 8.00 0.40 -4.75 116.55 113.98 1huk n ASP 31 Ca -0.11 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 54.99 1huk n ASP 31 Cb 0.62 0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 42.49 1huk n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1huk s ILE 32 N -3.29 4.57 0.41 0.53 -1.09 -1.22 -4.94 121.20 116.16 1huk s ILE 32 Ca 0.01 1.36 -0.27 0.00 -2.23 0.00 0.00 60.65 59.52 1huk s ILE 32 Cb 0.13 -4.35 -0.10 0.00 -1.58 0.00 0.00 42.46 36.55 1huk s ILE 32 CO 0.81 -0.51 1.46 -2.65 -1.23 0.00 0.00 174.94 172.81 1huk n PRO 33 N 6.79 2.49 -0.30 2.79 -0.02 -1.26 -4.31 135.00 141.18 1huk n PRO 33 Ca 0.08 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.41 1huk n PRO 33 Cb 0.48 -2.64 0.08 0.00 -0.02 0.00 0.00 33.50 31.39 1huk n PRO 33 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1huk h LEU 34 N 2.67 0.94 -9.18 2.45 5.85 -1.90 -3.37 115.31 112.77 1huk h LEU 34 Ca -0.51 -0.02 -0.61 0.00 0.84 0.00 0.00 57.88 57.58 1huk h LEU 34 Cb 1.25 -0.23 -0.14 0.00 0.37 0.00 0.00 40.66 41.91 1huk h LEU 34 CO 0.63 0.68 -0.53 -0.31 -0.34 0.00 0.00 178.44 178.56 1huk s TYR 35 N -6.13 3.32 -0.00 1.25 2.02 -1.26 -0.70 117.35 115.84 1huk s TYR 35 Ca -0.13 0.19 0.11 0.00 -0.37 0.00 0.00 57.07 56.87 1huk s TYR 35 Cb 0.16 -2.11 -0.15 0.00 -0.40 0.00 0.00 41.96 39.46 1huk s TYR 35 CO 0.79 0.22 1.11 0.00 -1.57 0.00 0.00 175.55 176.10 1huk h ALA 36 N 6.64 0.55 -1.33 3.71 0.00 -0.35 -3.44 119.26 125.04 1huk h ALA 36 Ca -0.39 -0.94 -0.13 0.00 0.00 0.00 0.00 54.91 53.45 1huk h ALA 36 Cb 1.16 0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.78 1huk h ALA 36 CO 0.73 1.16 -0.50 0.34 0.00 0.00 0.00 179.25 180.97 1huk s ASP 37 N -6.40 -0.62 0.13 0.00 2.15 -0.50 -4.99 116.67 106.44 1huk s ASP 37 Ca -0.00 -0.71 -0.18 0.00 0.43 0.00 0.00 52.55 52.09 1huk s ASP 37 Cb 0.09 1.52 -0.03 0.00 -0.30 0.00 0.00 42.92 44.20 1huk s ASP 37 CO 0.81 -0.25 1.78 0.50 -0.17 0.00 0.00 175.17 177.83 1huk h LYS 38 N 7.41 0.30 -0.53 4.34 3.64 -1.85 0.52 116.57 130.40 1huk h LYS 38 Ca 0.01 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1huk h LYS 38 Cb 1.14 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1huk h LYS 38 CO 0.16 0.20 0.37 1.49 -2.27 0.00 0.00 179.45 179.40 1huk h GLU 39 N 0.31 0.18 -0.02 1.90 4.57 -1.97 0.51 114.58 120.06 1huk h GLU 39 Ca 0.10 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1huk h GLU 39 Cb 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1huk h GLU 39 CO -0.05 0.12 -0.16 0.09 -1.18 0.00 0.00 179.01 177.82 1huk n ASN 40 N -4.44 2.13 -3.04 1.04 3.02 -0.98 -4.99 115.26 108.01 1huk n ASN 40 Ca 0.09 -1.57 -0.18 0.00 -0.03 0.00 0.00 54.58 52.90 1huk n ASN 40 Cb 0.47 0.21 0.07 0.00 -0.61 0.00 0.00 39.78 39.93 1huk n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1huk n ASN 41 N 0.50 -4.29 -4.56 6.41 3.02 0.17 -4.99 115.26 111.53 1huk n ASN 41 Ca 0.09 -0.47 -0.41 0.00 -0.03 0.00 0.00 54.58 53.75 1huk n ASN 41 Cb 0.41 -4.27 -0.08 0.00 -0.61 0.00 0.00 39.78 35.23 1huk n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1huk s ILE 42 N -3.28 4.99 0.28 2.41 1.01 -0.51 -4.49 121.20 121.62 1huk s ILE 42 Ca 0.30 0.35 0.05 0.00 0.00 0.00 0.00 60.65 61.35 1huk s ILE 42 Cb -0.13 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1huk s ILE 42 CO 0.60 -0.25 0.42 -0.36 0.00 0.00 0.00 174.94 175.36 1huk s PHE 43 N 2.44 3.38 -0.25 3.97 0.08 -0.55 0.34 117.98 127.39 1huk s PHE 43 Ca 0.19 -0.00 -0.18 0.00 0.12 0.00 0.00 56.93 57.06 1huk s PHE 43 Cb -0.15 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1huk s PHE 43 CO 0.14 0.27 0.51 -0.80 -0.10 0.00 0.00 175.22 175.24 1huk s ASN 44 N -4.04 6.45 -0.19 1.36 0.01 0.12 -2.07 114.94 116.58 1huk s ASN 44 Ca 0.38 0.54 -0.10 0.00 -0.71 0.00 0.00 52.86 52.97 1huk s ASN 44 Cb -0.09 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 1huk s ASN 44 CO 0.31 -0.27 0.14 -0.32 -1.51 0.00 0.00 177.10 175.45 1huk s MET 45 N 2.19 4.16 -0.42 -0.60 -2.45 0.14 -4.14 119.30 118.19 1huk s MET 45 Ca 0.22 -0.20 -0.21 0.00 -1.25 0.00 0.00 55.69 54.24 1huk s MET 45 Cb -0.16 -3.41 0.02 0.00 1.25 0.00 0.00 34.83 32.53 1huk s MET 45 CO 0.09 0.32 0.68 0.08 1.05 0.00 0.00 175.02 177.24 1huk s VAL 46 N 0.31 4.80 0.10 10.11 1.01 -0.52 -1.25 120.40 134.96 1huk s VAL 46 Ca 0.09 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1huk s VAL 46 Cb -0.11 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1huk s VAL 46 CO -0.01 -0.55 1.06 -0.69 0.00 0.00 0.00 175.10 174.91 1huk s VAL 47 N 2.92 4.26 -0.12 2.92 1.01 0.37 -1.31 120.40 130.44 1huk s VAL 47 Ca 0.25 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 1huk s VAL 47 Cb -0.14 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1huk s VAL 47 CO 0.19 0.23 -0.13 -0.62 0.00 0.00 0.00 175.10 174.77 1huk n GLU 48 N 3.09 0.27 -3.96 2.72 1.02 -0.13 -0.18 120.64 123.46 1huk n GLU 48 Ca 0.04 0.09 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 1huk n GLU 48 Cb 0.48 -1.07 -0.16 0.00 -0.02 0.00 0.00 31.44 30.67 1huk n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1huk s ILE 49 N -2.23 1.55 0.50 -3.67 1.01 -0.08 -4.47 121.20 113.81 1huk s ILE 49 Ca -0.16 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 59.19 1huk s ILE 49 Cb 0.05 -1.72 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 1huk s ILE 49 CO 0.24 0.05 1.24 -2.65 0.00 0.00 0.00 174.94 173.82 1huk n PRO 50 N 4.69 1.63 -1.74 2.79 -0.02 -1.26 -0.40 135.00 140.68 1huk n PRO 50 Ca -0.13 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1huk n PRO 50 Cb 0.46 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1huk n PRO 50 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1huk n ARG 51 N -0.55 2.59 -1.12 -0.52 0.63 -1.24 -2.82 116.66 113.65 1huk n ARG 51 Ca 0.09 0.92 -0.04 0.00 -0.92 0.00 0.00 57.85 57.90 1huk n ARG 51 Cb 0.43 -2.66 -0.02 0.00 0.45 0.00 0.00 32.46 30.66 1huk n ARG 51 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1huk n TRP 52 N 1.44 0.00 -3.41 -0.14 8.01 0.16 -4.95 117.44 118.55 1huk n TRP 52 Ca 0.06 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.03 1huk n TRP 52 Cb 0.37 -1.07 0.03 0.00 -2.01 0.00 0.00 31.31 28.63 1huk n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1huk s THR 53 N -2.10 2.03 0.00 -0.99 -4.23 -1.13 -4.62 115.64 104.60 1huk s THR 53 Ca 0.00 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1huk s THR 53 Cb 0.00 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1huk s THR 53 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1huk n ASN 54 N -1.98 3.14 -4.65 3.99 4.13 -1.26 -0.95 115.26 117.68 1huk n ASN 54 Ca 0.08 0.00 -0.48 0.00 1.68 0.00 0.00 54.58 55.85 1huk n ASN 54 Cb 0.63 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.82 1huk n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1huk n ALA 55 N -2.60 0.61 -2.92 5.41 0.00 -1.26 -1.42 120.51 118.33 1huk n ALA 55 Ca 0.00 0.46 -0.44 0.00 0.00 0.00 0.00 53.44 53.46 1huk n ALA 55 Cb 0.50 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1huk n ALA 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1huk s LYS 56 N 1.02 3.65 0.13 0.00 2.20 -0.69 -4.87 119.74 121.17 1huk s LYS 56 Ca 0.82 -1.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.59 1huk s LYS 56 Cb -0.77 -4.95 -0.04 0.00 -1.51 0.00 0.00 37.83 30.56 1huk s LYS 56 CO 0.42 -1.79 0.30 -0.51 -0.36 0.00 0.00 175.35 173.42 1huk s LEU 57 N 2.65 4.30 -0.08 5.43 1.43 -1.26 0.31 118.68 131.45 1huk s LEU 57 Ca 0.34 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1huk s LEU 57 Cb -0.04 -3.08 0.07 0.00 0.03 0.00 0.00 46.19 43.17 1huk s LEU 57 CO -0.08 0.07 0.70 -1.83 0.23 0.00 0.00 176.35 175.44 1huk s GLU 58 N -2.89 1.01 -0.02 1.70 1.03 0.31 -4.70 118.70 115.14 1huk s GLU 58 Ca 0.37 0.35 -0.33 0.00 0.03 0.00 0.00 54.97 55.39 1huk s GLU 58 Cb -0.12 0.48 -0.11 0.00 -0.80 0.00 0.00 34.13 33.57 1huk s GLU 58 CO 0.28 -0.29 1.86 -0.89 -1.33 0.00 0.00 175.26 174.88 1huk n ILE 59 N 1.13 0.52 -2.53 1.83 5.41 -1.26 -0.78 119.36 123.68 1huk n ILE 59 Ca -0.18 -0.09 -0.43 0.00 1.00 0.00 0.00 62.75 63.05 1huk n ILE 59 Cb 0.57 -1.93 -0.02 0.00 -0.71 0.00 0.00 39.64 37.54 1huk n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1huk s THR 60 N 3.61 4.46 0.13 1.39 2.01 -0.07 -4.92 115.64 122.26 1huk s THR 60 Ca 0.89 1.76 0.23 0.00 0.31 0.00 0.00 61.69 64.89 1huk s THR 60 Cb -0.63 -4.14 0.22 0.00 0.01 0.00 0.00 72.50 67.96 1huk s THR 60 CO 0.47 -0.16 1.81 0.11 -0.69 0.00 0.00 174.62 176.16 1huk h LYS 61 N 7.87 0.00 -0.02 4.92 1.57 -1.91 -3.20 116.57 125.80 1huk h LYS 61 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1huk h LYS 61 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1huk h LYS 61 CO 0.97 0.25 -0.16 -0.85 -0.57 0.00 0.00 179.45 179.09 1huk n GLU 62 N -3.41 1.77 -4.47 3.15 0.28 -1.25 -0.37 120.64 116.35 1huk n GLU 62 Ca 0.00 -1.38 -0.32 0.00 -0.16 0.00 0.00 57.16 55.30 1huk n GLU 62 Cb 0.44 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.74 1huk n GLU 62 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1huk s GLU 63 N -2.18 2.50 0.21 3.44 2.02 -1.21 -4.63 118.70 118.85 1huk s GLU 63 Ca 0.27 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 1huk s GLU 63 Cb 0.20 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 1huk s GLU 63 CO 0.40 0.59 1.43 0.99 0.02 0.00 0.00 175.26 178.69 1huk s THR 64 N -1.00 2.85 -0.22 3.63 2.01 -1.26 0.05 115.64 121.71 1huk s THR 64 Ca 0.17 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1huk s THR 64 Cb -0.11 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1huk s THR 64 CO 0.07 0.09 0.00 0.18 -0.69 0.00 0.00 174.62 174.28 1huk n LEU 65 N 2.87 0.51 -3.87 4.42 4.77 -1.26 -4.32 117.00 120.12 1huk n LEU 65 Ca 0.08 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1huk n LEU 65 Cb 0.41 -2.05 0.02 0.00 -2.33 0.00 0.00 43.42 39.47 1huk n LEU 65 CO 0.60 -0.77 -0.14 0.59 -1.33 0.00 0.00 177.39 176.34 1huk n ASN 66 N -0.73 -4.78 -4.74 -1.43 3.02 0.11 -2.44 115.26 104.27 1huk n ASN 66 Ca -0.02 -1.10 -0.32 0.00 -0.03 0.00 0.00 54.58 53.11 1huk n ASN 66 Cb 0.40 -2.25 0.10 0.00 -0.61 0.00 0.00 39.78 37.42 1huk n ASN 66 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1huk s PRO 67 N -6.30 2.05 -0.17 3.52 0.04 -1.26 -4.12 135.00 128.76 1huk s PRO 67 Ca 0.35 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 1huk s PRO 67 Cb -0.17 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1huk s PRO 67 CO 0.92 -1.84 0.75 0.42 0.04 0.00 0.00 177.00 177.29 1huk s ILE 68 N -2.52 4.94 0.34 0.56 1.01 -0.14 -0.89 121.20 124.49 1huk s ILE 68 Ca 0.67 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1huk s ILE 68 Cb -0.22 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1huk s ILE 68 CO 0.51 0.07 0.10 0.27 0.00 0.00 0.00 174.94 175.89 1huk s ILE 69 N 1.99 0.79 -0.14 2.92 -0.00 0.04 -0.86 121.20 125.95 1huk s ILE 69 Ca 0.35 -2.00 -0.22 0.00 -0.00 0.00 0.00 60.65 58.78 1huk s ILE 69 Cb -0.16 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.46 39.67 1huk s ILE 69 CO 0.12 0.00 0.65 -1.58 -0.00 0.00 0.00 174.94 174.13 1huk s GLN 70 N -3.86 4.32 0.11 0.37 0.74 -1.26 -0.53 119.66 119.54 1huk s GLN 70 Ca 0.33 0.72 -0.34 0.00 0.05 0.00 0.00 55.36 56.12 1huk s GLN 70 Cb 0.06 -3.51 -0.18 0.00 1.10 0.00 0.00 33.01 30.48 1huk s GLN 70 CO 0.15 -0.08 0.89 -3.47 -0.55 0.00 0.00 175.29 172.23 1huk n ASP 71 N 4.41 -0.20 -4.22 6.67 -0.08 0.15 -4.85 116.55 118.44 1huk n ASP 71 Ca -0.02 1.15 -0.16 0.00 -1.51 0.00 0.00 54.79 54.25 1huk n ASP 71 Cb 0.50 -0.99 -0.11 0.00 2.34 0.00 0.00 41.12 42.87 1huk n ASP 71 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1huk s THR 72 N -0.40 1.18 -0.13 5.18 -4.23 -1.26 0.40 115.64 116.38 1huk s THR 72 Ca 0.78 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1huk s THR 72 Cb -1.07 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1huk s THR 72 CO 0.56 -0.51 0.05 -0.75 -0.54 0.00 0.00 174.62 173.42 1huk s LYS 73 N -2.88 0.35 -0.93 3.99 2.20 -0.67 -4.86 119.74 116.94 1huk s LYS 73 Ca 0.09 -0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1huk s LYS 73 Cb -0.03 -1.51 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 1huk s LYS 73 CO 0.02 -0.52 0.80 1.63 -0.36 0.00 0.00 175.35 176.92 1huk n LYS 74 N 5.18 -5.38 -0.08 4.03 5.02 -1.26 -2.43 118.16 123.25 1huk n LYS 74 Ca -0.07 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1huk n LYS 74 Cb 0.49 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1huk n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1huk n GLY 75 N -1.43 1.78 3.74 0.72 0.00 -1.26 -5.02 105.19 103.72 1huk n GLY 75 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1huk n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huk s LYS 76 N -0.36 3.11 0.35 1.61 1.02 -1.02 -5.07 119.74 119.37 1huk s LYS 76 Ca 0.00 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.38 1huk s LYS 76 Cb 0.00 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.31 1huk s LYS 76 CO 0.00 0.73 1.27 -0.51 -0.92 0.00 0.00 175.35 175.92 1huk s LEU 77 N -0.93 4.38 -0.16 3.17 1.43 -1.26 -1.67 118.68 123.64 1huk s LEU 77 Ca 0.14 2.61 -0.06 0.00 -1.03 0.00 0.00 54.13 55.78 1huk s LEU 77 Cb -0.12 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1huk s LEU 77 CO 0.03 -0.57 0.05 -0.13 0.23 0.00 0.00 176.35 175.96 1huk s ARG 78 N -1.89 3.80 0.01 1.70 0.52 0.16 -4.88 118.95 118.38 1huk s ARG 78 Ca 0.51 -0.36 0.05 0.00 -0.52 0.00 0.00 55.73 55.41 1huk s ARG 78 Cb -0.38 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 1huk s ARG 78 CO 0.50 0.35 -0.14 -0.06 0.02 0.00 0.00 175.30 175.97 1huk s PHE 79 N 0.13 1.27 -0.05 -0.53 0.40 -1.26 -1.71 117.98 116.24 1huk s PHE 79 Ca 0.04 -0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 1huk s PHE 79 Cb -0.12 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1huk s PHE 79 CO 0.01 0.01 0.70 0.08 0.70 0.00 0.00 175.22 176.72 1huk s VAL 80 N -0.58 4.99 0.77 -0.44 1.01 -0.51 -4.92 120.40 120.72 1huk s VAL 80 Ca 0.04 1.45 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 1huk s VAL 80 Cb -0.07 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1huk s VAL 80 CO 0.00 0.28 1.13 -0.13 0.00 0.00 0.00 175.10 176.39 1huk s ARG 81 N 0.59 2.34 -0.20 2.72 1.81 -1.26 -4.71 118.95 120.24 1huk s ARG 81 Ca 0.37 0.32 -0.24 0.00 -1.72 0.00 0.00 55.73 54.46 1huk s ARG 81 Cb -0.18 -1.97 -0.01 0.00 -0.45 0.00 0.00 34.95 32.33 1huk s ARG 81 CO 0.19 -1.37 0.78 -0.80 -0.68 0.00 0.00 175.30 173.41 1huk s ASN 82 N -4.40 6.84 -0.45 0.23 0.01 -1.23 -4.53 114.94 111.40 1huk s ASN 82 Ca 0.60 1.03 0.02 0.00 -0.71 0.00 0.00 52.86 53.80 1huk s ASN 82 Cb -0.11 -2.42 0.12 0.00 0.41 0.00 0.00 41.25 39.25 1huk s ASN 82 CO 0.51 -0.41 0.21 0.00 -1.51 0.00 0.00 177.10 175.89 1huk n PHE 84 N 3.83 0.30 -0.23 0.00 7.35 0.54 0.23 117.46 129.47 1huk n PHE 84 Ca 0.04 0.92 -0.08 0.00 -0.76 0.00 0.00 57.45 57.57 1huk n PHE 84 Cb 0.38 -2.08 0.15 0.00 0.35 0.00 0.00 39.48 38.28 1huk n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1huk n PRO 85 N 1.27 2.27 -3.50 -7.13 -0.04 -1.26 -4.94 135.00 121.67 1huk n PRO 85 Ca 0.17 -1.79 -0.35 0.00 -0.04 0.00 0.00 63.50 61.50 1huk n PRO 85 Cb 0.21 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1huk n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1huk s HIS 86 N -1.96 3.59 -0.37 0.54 3.76 0.14 -5.06 115.29 115.93 1huk s HIS 86 Ca 0.33 0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 56.03 1huk s HIS 86 Cb 0.27 -2.24 0.04 0.00 1.11 0.00 0.00 32.58 31.76 1huk s HIS 86 CO 0.07 0.49 0.18 -1.58 -0.85 0.00 0.00 174.74 173.05 1huk s HIS 87 N -1.41 3.26 0.00 1.40 2.46 -1.26 -3.22 115.29 116.51 1huk s HIS 87 Ca 0.34 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1huk s HIS 87 Cb -0.14 -2.44 0.00 0.00 -0.13 0.00 0.00 32.58 29.87 1huk s HIS 87 CO 0.18 -0.70 0.00 0.41 -2.47 0.00 0.00 174.74 172.17 1huk n GLY 88 N 4.93 2.46 3.75 1.59 0.00 -1.26 -4.10 105.19 112.56 1huk n GLY 88 Ca -0.12 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1huk n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1huk s TYR 89 N 0.00 3.76 -1.29 1.61 1.51 -0.12 -4.86 117.35 117.95 1huk s TYR 89 Ca 0.00 1.79 0.14 0.00 -1.01 0.00 0.00 57.07 58.00 1huk s TYR 89 Cb 0.00 -3.15 0.38 0.00 -0.11 0.00 0.00 41.96 39.08 1huk s TYR 89 CO 0.00 -0.12 1.30 0.44 -1.11 0.00 0.00 175.55 176.07 1huk n ILE 90 N 1.32 0.91 -4.25 2.71 -5.35 -1.26 0.36 119.36 113.79 1huk n ILE 90 Ca -0.02 -0.95 -0.14 0.00 -0.27 0.00 0.00 62.75 61.37 1huk n ILE 90 Cb 0.46 0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 38.83 1huk n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1huk s HIS 91 N -1.02 1.27 -0.11 4.28 3.76 -1.26 -4.93 115.29 117.28 1huk s HIS 91 Ca 0.30 -0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 54.05 1huk s HIS 91 Cb 0.16 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 1huk s HIS 91 CO 0.21 -0.02 1.45 -0.80 -0.85 0.00 0.00 174.74 174.72 1huk s ASN 92 N -3.18 6.81 -0.15 1.40 0.01 -1.07 -3.61 114.94 115.15 1huk s ASN 92 Ca 0.20 1.95 -0.04 0.00 -0.71 0.00 0.00 52.86 54.26 1huk s ASN 92 Cb 0.04 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1huk s ASN 92 CO 0.02 -0.84 -0.01 -0.47 -1.51 0.00 0.00 177.10 174.29 1huk s TYR 93 N 3.76 3.10 0.00 2.20 6.14 0.46 -1.10 117.35 131.91 1huk s TYR 93 Ca 0.64 -0.11 0.00 0.00 0.64 0.00 0.00 57.07 58.23 1huk s TYR 93 Cb -0.27 -1.95 0.00 0.00 0.42 0.00 0.00 41.96 40.16 1huk s TYR 93 CO 0.22 0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.93 1huk n GLY 94 N 3.25 3.12 3.23 8.97 0.00 -0.08 -0.90 105.19 122.78 1huk n GLY 94 Ca -0.17 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1huk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huk s ALA 95 N -1.18 -0.66 -0.23 4.61 0.00 -0.43 -0.66 121.76 123.21 1huk s ALA 95 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.80 1huk s ALA 95 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1huk s ALA 95 CO 0.00 -0.35 0.71 -0.06 0.00 0.00 0.00 175.76 176.06 1huk s PHE 96 N -2.13 3.32 0.79 0.00 0.08 -0.28 -1.43 117.98 118.33 1huk s PHE 96 Ca -0.08 0.97 -0.12 0.00 0.12 0.00 0.00 56.93 57.82 1huk s PHE 96 Cb -0.02 -2.91 0.07 0.00 -0.57 0.00 0.00 43.02 39.59 1huk s PHE 96 CO -0.01 -0.31 1.14 -1.25 -0.10 0.00 0.00 175.22 174.68 1huk s PRO 97 N 2.47 1.93 -1.64 0.24 0.04 -1.26 -3.50 135.00 133.28 1huk s PRO 97 Ca 0.30 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1huk s PRO 97 Cb -0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1huk s PRO 97 CO 0.09 -1.93 0.23 1.04 0.04 0.00 0.00 177.00 176.47 1huk n GLN 98 N -3.40 -2.85 -4.27 4.56 6.02 -0.26 -4.19 117.38 112.99 1huk n GLN 98 Ca 0.11 0.94 -0.16 0.00 -0.01 0.00 0.00 57.00 57.88 1huk n GLN 98 Cb 0.52 -5.64 -0.10 0.00 1.02 0.00 0.00 30.24 26.04 1huk n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1huk s THR 99 N -3.07 1.35 -0.28 5.09 -4.23 -1.23 -4.24 115.64 109.04 1huk s THR 99 Ca 0.12 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 58.40 1huk s THR 99 Cb -0.05 -1.85 0.08 0.00 1.34 0.00 0.00 72.50 72.02 1huk s THR 99 CO 0.14 -0.65 0.69 0.86 -0.54 0.00 0.00 174.62 175.12 1huk s TRP 100 N -3.04 -1.01 -0.80 3.99 -0.00 -0.63 -4.02 118.94 113.43 1huk s TRP 100 Ca 0.17 2.08 -0.17 0.00 -0.00 0.00 0.00 56.10 58.18 1huk s TRP 100 Cb 0.00 0.57 0.15 0.00 -0.00 0.00 0.00 33.47 34.19 1huk s TRP 100 CO 0.03 -0.50 0.90 -1.21 -0.00 0.00 0.00 176.95 176.17 1huk s GLU 101 N 1.42 3.43 -0.15 5.86 2.02 0.80 -4.54 118.70 127.55 1huk s GLU 101 Ca -0.08 -1.82 -0.31 0.00 0.02 0.00 0.00 54.97 52.77 1huk s GLU 101 Cb -0.05 -4.57 -0.09 0.00 0.10 0.00 0.00 34.13 29.52 1huk s GLU 101 CO -0.16 -1.57 2.07 -3.47 0.02 0.00 0.00 175.26 172.15 1huk n ASP 102 N 5.76 3.33 0.21 -0.19 -0.08 -1.26 0.03 116.55 124.34 1huk n ASP 102 Ca 0.11 0.61 0.06 0.00 -1.51 0.00 0.00 54.79 54.06 1huk n ASP 102 Cb 0.47 -1.45 0.44 0.00 2.34 0.00 0.00 41.12 42.91 1huk n ASP 102 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1huk h PRO 103 N 12.02 0.00 -0.95 -0.67 0.13 -1.91 -1.81 132.00 138.81 1huk h PRO 103 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1huk h PRO 103 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1huk h PRO 103 CO 0.96 0.31 0.04 0.09 -0.23 0.00 0.00 178.00 179.17 1huk n ASN 104 N -3.73 2.25 -3.73 1.44 3.02 -1.26 -4.22 115.26 109.03 1huk n ASN 104 Ca -0.01 -2.20 -0.13 0.00 -0.03 0.00 0.00 54.58 52.21 1huk n ASN 104 Cb 0.41 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1huk n ASN 104 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1huk s VAL 105 N -1.08 -0.00 0.22 2.41 1.01 -1.08 -5.08 120.40 116.80 1huk s VAL 105 Ca 0.10 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1huk s VAL 105 Cb 0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1huk s VAL 105 CO 0.03 0.00 -0.17 -0.55 0.00 0.00 0.00 175.10 174.41 1huk s SER 106 N 0.30 2.90 -0.06 3.32 0.15 -1.26 -1.97 113.70 117.08 1huk s SER 106 Ca -0.01 -1.00 -0.02 0.00 0.70 0.00 0.00 55.95 55.62 1huk s SER 106 Cb -0.03 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1huk s SER 106 CO -0.00 -0.09 0.06 -2.28 1.20 0.00 0.00 173.24 172.13 1huk s HIS 107 N -2.71 3.30 -0.15 3.44 2.46 -0.28 -4.94 115.29 116.41 1huk s HIS 107 Ca 0.24 0.27 -0.27 0.00 0.47 0.00 0.00 55.06 55.77 1huk s HIS 107 Cb -0.03 -1.80 -0.25 0.00 -0.13 0.00 0.00 32.58 30.37 1huk s HIS 107 CO 0.09 0.56 0.66 -1.00 -2.47 0.00 0.00 174.74 172.58 1huk h PRO 108 N 4.75 0.02 0.00 2.88 0.13 -1.96 -2.47 132.00 135.35 1huk h PRO 108 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1huk h PRO 108 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1huk h PRO 108 CO 0.58 1.01 0.00 1.49 -0.23 0.00 0.00 178.00 180.85 1huk h GLU 109 N -0.96 0.00 -2.24 0.86 4.81 -1.98 -2.46 114.58 112.61 1huk h GLU 109 Ca -0.08 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.56 1huk h GLU 109 Cb 1.10 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.09 1huk h GLU 109 CO -0.04 0.00 -0.90 2.41 -0.73 0.00 0.00 179.01 179.76 1huk n THR 110 N -3.08 0.22 -1.33 0.32 -1.04 -1.26 -4.88 114.28 103.24 1huk n THR 110 Ca -0.02 -4.29 -0.10 0.00 -2.04 0.00 0.00 64.05 57.60 1huk n THR 110 Cb 0.17 -1.96 -0.09 0.00 -1.82 0.00 0.00 70.33 66.63 1huk n THR 110 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1huk n LYS 111 N 1.61 0.10 -3.64 -2.82 5.02 -0.93 -3.74 118.16 113.75 1huk n LYS 111 Ca 0.25 -0.52 -0.04 0.00 -2.02 0.00 0.00 58.31 55.97 1huk n LYS 111 Cb 0.47 -2.07 -0.06 0.00 -0.02 0.00 0.00 35.03 33.35 1huk n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1huk s ALA 112 N 6.20 -2.15 0.68 7.82 0.00 -1.01 -4.87 121.76 128.43 1huk s ALA 112 Ca 0.62 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 54.28 1huk s ALA 112 Cb -0.22 -1.61 0.06 0.00 0.00 0.00 0.00 23.12 21.35 1huk s ALA 112 CO 0.18 -0.16 0.96 0.14 0.00 0.00 0.00 175.76 176.89 1huk s VAL 113 N -0.23 2.35 0.81 0.00 -7.23 0.10 -1.13 120.40 115.08 1huk s VAL 113 Ca 0.06 -0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.72 1huk s VAL 113 Cb -0.04 -2.96 0.09 0.00 0.56 0.00 0.00 36.38 34.03 1huk s VAL 113 CO -0.12 0.00 1.16 -0.83 -0.31 0.00 0.00 175.10 175.00 1huk s GLY 114 N -4.53 1.94 0.00 2.32 0.00 -0.70 -1.32 107.32 105.03 1huk s GLY 114 Ca 0.60 0.64 0.21 0.00 0.00 0.00 0.00 44.72 46.18 1huk s GLY 114 CO 0.43 1.04 1.45 2.09 0.00 0.00 0.00 173.10 178.11 1huk n ASP 115 N -3.50 3.65 -1.39 1.64 5.68 -1.10 -3.67 116.55 117.86 1huk n ASP 115 Ca 0.12 -1.99 -0.13 0.00 -0.50 0.00 0.00 54.79 52.30 1huk n ASP 115 Cb 0.52 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.10 1huk n ASP 115 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1huk n ASN 116 N 1.43 -4.12 -4.33 -1.12 4.05 0.10 -4.96 115.26 106.31 1huk n ASN 116 Ca 0.21 0.04 -0.17 0.00 0.45 0.00 0.00 54.58 55.11 1huk n ASN 116 Cb 0.58 -3.22 -0.10 0.00 1.23 0.00 0.00 39.78 38.27 1huk n ASN 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1huk s ASP 117 N -2.50 1.90 0.74 1.20 1.01 -1.25 -4.82 116.67 112.95 1huk s ASP 117 Ca 0.00 -1.21 -0.16 0.00 0.71 0.00 0.00 52.55 51.90 1huk s ASP 117 Cb 0.00 -0.00 0.01 0.00 1.01 0.00 0.00 42.92 43.94 1huk s ASP 117 CO 0.00 -0.49 0.92 -2.65 0.21 0.00 0.00 175.17 173.16 1huk n PRO 118 N -0.42 0.42 -2.15 8.23 -0.02 -1.26 -0.14 135.00 139.67 1huk n PRO 118 Ca -0.05 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1huk n PRO 118 Cb 0.64 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1huk n PRO 118 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1huk s ILE 119 N -1.88 3.18 0.26 4.25 2.07 -1.26 -4.81 121.20 123.00 1huk s ILE 119 Ca 0.72 0.88 -0.30 0.00 -1.41 0.00 0.00 60.65 60.54 1huk s ILE 119 Cb -0.34 -3.56 -0.09 0.00 0.13 0.00 0.00 42.46 38.60 1huk s ILE 119 CO 0.52 0.09 1.08 -1.81 -1.91 0.00 0.00 174.94 172.91 1huk s ASP 120 N 0.88 7.31 -0.10 4.50 1.01 -1.24 -1.13 116.67 127.90 1huk s ASP 120 Ca 0.63 2.20 0.02 0.00 0.71 0.00 0.00 52.55 56.11 1huk s ASP 120 Cb -0.38 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 40.95 1huk s ASP 120 CO 0.33 -0.13 -0.15 -0.69 0.21 0.00 0.00 175.17 174.75 1huk s VAL 121 N -0.99 1.45 -0.43 -1.27 1.01 0.16 -0.63 120.40 119.70 1huk s VAL 121 Ca 0.45 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1huk s VAL 121 Cb -0.31 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.79 1huk s VAL 121 CO 0.39 0.43 0.32 -0.76 0.00 0.00 0.00 175.10 175.48 1huk s LEU 122 N 0.93 5.23 -0.25 3.92 1.43 0.90 -0.90 118.68 129.95 1huk s LEU 122 Ca -0.08 -1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 51.77 1huk s LEU 122 Cb -0.15 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1huk s LEU 122 CO -0.00 -0.51 0.40 -0.70 0.23 0.00 0.00 176.35 175.76 1huk s GLU 123 N 1.63 4.07 0.00 1.70 -6.30 -0.26 -0.42 118.70 119.13 1huk s GLU 123 Ca 0.04 0.12 0.17 0.00 -2.50 0.00 0.00 54.97 52.80 1huk s GLU 123 Cb -0.21 -3.62 0.34 0.00 0.00 0.00 0.00 34.13 30.64 1huk s GLU 123 CO 0.08 -0.21 1.26 0.44 0.02 0.00 0.00 175.26 176.85 1huk n ILE 124 N 4.86 0.60 -0.58 -3.70 -5.35 0.02 -2.59 119.36 112.61 1huk n ILE 124 Ca -0.08 -0.80 -0.29 0.00 -0.27 0.00 0.00 62.75 61.31 1huk n ILE 124 Cb 0.51 0.85 0.26 0.00 -1.74 0.00 0.00 39.64 39.52 1huk n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1huk n GLY 125 N 1.04 -3.41 0.13 3.28 0.00 -1.26 -4.99 105.19 99.97 1huk n GLY 125 Ca 0.15 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 1huk n GLY 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1huk h GLU 126 N 0.00 0.40 -6.62 1.61 4.11 -1.98 -3.45 114.58 108.64 1huk h GLU 126 Ca -0.38 -0.63 -0.51 0.00 0.07 0.00 0.00 59.36 57.91 1huk h GLU 126 Cb 1.23 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1huk h GLU 126 CO 0.24 1.29 0.38 0.99 0.07 0.00 0.00 179.01 181.97 1huk s THR 127 N -2.74 4.31 -0.05 -1.06 2.01 -1.26 -5.01 115.64 111.84 1huk s THR 127 Ca -0.06 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.65 1huk s THR 127 Cb 0.06 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1huk s THR 127 CO 0.91 0.35 0.95 -0.63 -0.69 0.00 0.00 174.62 175.51 1huk s ILE 128 N -0.30 4.86 0.82 1.82 1.01 -1.26 -4.97 121.20 123.18 1huk s ILE 128 Ca 0.46 1.97 -0.10 0.00 0.00 0.00 0.00 60.65 62.98 1huk s ILE 128 Cb -0.25 -4.28 0.12 0.00 0.01 0.00 0.00 42.46 38.06 1huk s ILE 128 CO 0.31 0.11 1.16 0.00 0.00 0.00 0.00 174.94 176.52 1huk s ALA 129 N 1.36 2.80 0.11 9.38 0.00 -1.26 -4.97 121.76 129.18 1huk s ALA 129 Ca 0.49 -1.07 0.11 0.00 0.00 0.00 0.00 51.96 51.48 1huk s ALA 129 Cb -0.20 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1huk s ALA 129 CO 0.23 -1.80 -0.27 1.52 0.00 0.00 0.00 175.76 175.44 1huk s TYR 130 N -3.53 2.28 0.15 0.00 -0.85 -1.26 -4.38 117.35 109.76 1huk s TYR 130 Ca 0.66 -0.39 -0.31 0.00 -0.52 0.00 0.00 57.07 56.51 1huk s TYR 130 Cb -0.08 -1.26 -0.10 0.00 0.38 0.00 0.00 41.96 40.90 1huk s TYR 130 CO 0.48 0.29 1.72 0.99 -1.52 0.00 0.00 175.55 177.51 1huk s THR 131 N -1.01 2.50 0.00 -3.49 2.01 -1.26 -1.64 115.64 112.74 1huk s THR 131 Ca 0.13 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1huk s THR 131 Cb -0.10 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1huk s THR 131 CO 0.05 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1huk n GLY 132 N 4.02 0.77 3.75 4.40 0.00 0.75 -5.00 105.19 113.89 1huk n GLY 132 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1huk n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1huk s GLN 133 N -0.63 4.45 -0.40 1.61 0.74 -0.65 -4.77 119.66 120.00 1huk s GLN 133 Ca 0.00 2.03 -0.10 0.00 0.05 0.00 0.00 55.36 57.34 1huk s GLN 133 Cb 0.00 -3.15 0.06 0.00 1.10 0.00 0.00 33.01 31.01 1huk s GLN 133 CO 0.00 -0.10 0.24 0.08 -0.55 0.00 0.00 175.29 174.96 1huk s VAL 134 N -0.66 4.40 0.27 1.34 1.01 -1.26 -0.48 120.40 125.03 1huk s VAL 134 Ca 0.51 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1huk s VAL 134 Cb -0.36 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1huk s VAL 134 CO 0.44 -0.39 0.03 -1.59 0.00 0.00 0.00 175.10 173.58 1huk s LYS 135 N 1.49 2.38 -0.23 2.72 -2.85 -0.38 -4.91 119.74 117.95 1huk s LYS 135 Ca 0.02 -1.38 -0.14 0.00 -1.00 0.00 0.00 55.97 53.47 1huk s LYS 135 Cb -0.21 -2.21 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 1huk s LYS 135 CO 0.04 0.36 0.34 -0.65 0.10 0.00 0.00 175.35 175.54 1huk s GLN 136 N -3.70 4.10 0.17 1.78 1.11 -1.26 -0.68 119.66 121.17 1huk s GLN 136 Ca 0.32 0.04 0.04 0.00 0.01 0.00 0.00 55.36 55.78 1huk s GLN 136 Cb -0.06 -3.58 -0.05 0.00 -1.01 0.00 0.00 33.01 28.31 1huk s GLN 136 CO 0.21 -0.10 -0.08 0.14 0.01 0.00 0.00 175.29 175.46 1huk s VAL 137 N 1.52 1.17 -0.02 1.09 -7.23 -0.88 0.27 120.40 116.32 1huk s VAL 137 Ca 0.15 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1huk s VAL 137 Cb -0.15 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1huk s VAL 137 CO 0.08 -0.65 -0.13 -1.59 -0.31 0.00 0.00 175.10 172.50 1huk s LYS 138 N -3.77 2.45 0.13 4.82 -2.85 -0.51 -1.48 119.74 118.53 1huk s LYS 138 Ca 0.19 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 1huk s LYS 138 Cb 0.03 -2.38 -0.06 0.00 -2.06 0.00 0.00 37.83 33.35 1huk s LYS 138 CO 0.03 0.61 1.04 0.00 0.10 0.00 0.00 175.35 177.12 1huk s ALA 139 N -0.84 3.31 -0.09 0.59 0.00 -1.26 -2.00 121.76 121.47 1huk s ALA 139 Ca 0.14 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1huk s ALA 139 Cb -0.11 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1huk s ALA 139 CO 0.03 -0.15 0.01 1.28 0.00 0.00 0.00 175.76 176.94 1huk n LEU 140 N 2.74 0.43 0.00 0.00 4.77 0.43 -4.87 117.00 120.50 1huk n LEU 140 Ca 0.03 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 1huk n LEU 140 Cb 0.48 0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1huk n LEU 140 CO 0.53 0.28 0.69 0.61 -1.33 0.00 0.00 177.39 178.17 1huk n GLY 141 N 2.55 0.38 3.43 -0.72 0.00 -1.10 -2.00 105.19 107.73 1huk n GLY 141 Ca -0.15 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1huk n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1huk s ILE 142 N -2.07 -0.01 0.36 -0.61 2.07 0.08 -0.43 121.20 120.59 1huk s ILE 142 Ca 0.19 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.53 1huk s ILE 142 Cb -0.01 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1huk s ILE 142 CO -0.00 0.01 0.21 -0.04 -1.91 0.00 0.00 174.94 173.20 1huk s MET 143 N 0.76 2.46 -0.25 3.50 -1.94 -0.76 0.69 119.30 123.75 1huk s MET 143 Ca -0.04 -1.52 -0.01 0.00 -1.71 0.00 0.00 55.69 52.41 1huk s MET 143 Cb -0.05 -2.25 0.08 0.00 2.01 0.00 0.00 34.83 34.62 1huk s MET 143 CO -0.06 0.05 0.04 0.00 -0.01 0.00 0.00 175.02 175.04 1huk s ALA 144 N -2.42 1.39 0.48 3.03 0.00 -1.26 -2.20 121.76 120.78 1huk s ALA 144 Ca 0.40 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1huk s ALA 144 Cb -0.03 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1huk s ALA 144 CO 0.24 -1.37 0.78 -1.17 0.00 0.00 0.00 175.76 174.25 1huk s LEU 145 N 1.68 3.62 -0.45 0.00 2.96 0.31 0.12 118.68 126.91 1huk s LEU 145 Ca 0.02 0.89 0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1huk s LEU 145 Cb -0.17 -3.83 0.35 0.00 0.50 0.00 0.00 46.19 43.04 1huk s LEU 145 CO -0.14 -0.60 0.84 0.18 -1.32 0.00 0.00 176.35 175.31 1huk n LEU 146 N -2.26 2.42 -4.56 -0.68 4.77 0.04 -0.21 117.00 116.52 1huk n LEU 146 Ca 0.01 -5.21 -0.38 0.00 -0.03 0.00 0.00 56.01 50.40 1huk n LEU 146 Cb 0.55 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1huk n LEU 146 CO 0.53 2.28 1.81 -0.62 -1.33 0.00 0.00 177.39 180.06 1huk s ASP 147 N -2.91 4.93 -0.96 -1.43 -1.08 -0.94 -4.33 116.67 109.94 1huk s ASP 147 Ca 0.43 0.86 -0.12 0.00 -0.52 0.00 0.00 52.55 53.19 1huk s ASP 147 Cb 0.33 -2.51 0.01 0.00 -1.46 0.00 0.00 42.92 39.29 1huk s ASP 147 CO -0.10 -2.55 0.66 -0.62 0.52 0.00 0.00 175.17 173.08 1huk n GLU 148 N 9.02 -1.12 0.00 4.34 1.02 -1.26 -0.69 120.64 131.95 1huk n GLU 148 Ca 0.29 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1huk n GLU 148 Cb 0.53 -2.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1huk n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1huk n GLY 149 N -1.79 2.20 3.22 0.62 0.00 -1.26 -5.01 105.19 103.17 1huk n GLY 149 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1huk n GLY 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1huk s GLU 150 N -0.44 2.61 -0.08 1.61 -1.05 0.13 -0.72 118.70 120.76 1huk s GLU 150 Ca 0.00 -0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 53.68 1huk s GLU 150 Cb 0.00 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 1huk s GLU 150 CO 0.00 0.27 1.19 0.99 0.95 0.00 0.00 175.26 178.66 1huk s THR 151 N 0.09 4.32 -0.65 1.83 2.01 -0.44 -2.21 115.64 120.59 1huk s THR 151 Ca -0.10 1.63 -0.07 0.00 0.31 0.00 0.00 61.69 63.46 1huk s THR 151 Cb -0.15 -4.05 0.17 0.00 0.01 0.00 0.00 72.50 68.48 1huk s THR 151 CO 0.06 -0.03 0.51 -0.62 -0.69 0.00 0.00 174.62 173.84 1huk s ASP 152 N 1.52 5.73 0.37 3.53 2.15 0.71 -4.37 116.67 126.30 1huk s ASP 152 Ca 0.55 -2.63 -0.26 0.00 0.43 0.00 0.00 52.55 50.64 1huk s ASP 152 Cb -0.23 -1.98 -0.09 0.00 -0.30 0.00 0.00 42.92 40.32 1huk s ASP 152 CO 0.20 -0.48 1.10 0.26 -0.17 0.00 0.00 175.17 176.08 1huk s TRP 153 N 0.27 3.28 -0.29 -5.34 0.52 -1.26 -0.53 118.94 115.59 1huk s TRP 153 Ca 0.15 1.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.89 1huk s TRP 153 Cb -0.19 -3.25 0.09 0.00 -1.15 0.00 0.00 33.47 28.97 1huk s TRP 153 CO -0.04 -0.83 0.08 0.15 0.02 0.00 0.00 176.95 176.32 1huk s LYS 154 N -2.17 0.74 0.18 4.98 -0.14 -0.93 -3.62 119.74 118.78 1huk s LYS 154 Ca 0.54 -0.97 -0.31 0.00 -1.36 0.00 0.00 55.97 53.88 1huk s LYS 154 Cb -0.27 -2.02 -0.09 0.00 -1.68 0.00 0.00 37.83 33.77 1huk s LYS 154 CO 0.34 -0.92 1.40 0.08 -0.76 0.00 0.00 175.35 175.50 1huk s VAL 155 N 1.65 3.02 -0.21 3.17 1.01 0.20 -1.84 120.40 127.39 1huk s VAL 155 Ca 0.07 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.68 1huk s VAL 155 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1huk s VAL 155 CO -0.22 0.10 0.44 -0.63 0.00 0.00 0.00 175.10 174.79 1huk s ILE 156 N 0.51 5.16 0.08 2.22 1.01 0.43 -0.07 121.20 130.53 1huk s ILE 156 Ca 0.61 0.78 0.01 0.00 0.00 0.00 0.00 60.65 62.05 1huk s ILE 156 Cb -0.39 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1huk s ILE 156 CO 0.36 0.20 -0.05 0.00 0.00 0.00 0.00 174.94 175.45 1huk s ALA 157 N 1.59 0.78 -0.06 9.38 0.00 0.44 -0.43 121.76 133.46 1huk s ALA 157 Ca 0.20 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1huk s ALA 157 Cb -0.15 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1huk s ALA 157 CO 0.09 -0.27 -0.08 -1.50 0.00 0.00 0.00 175.76 174.00 1huk s ILE 158 N -3.59 0.80 -0.08 0.00 2.07 -0.85 -0.80 121.20 118.75 1huk s ILE 158 Ca 0.09 -0.27 -0.40 0.00 -1.41 0.00 0.00 60.65 58.66 1huk s ILE 158 Cb 0.05 -0.78 -0.18 0.00 0.13 0.00 0.00 42.46 41.68 1huk s ILE 158 CO -0.06 0.29 1.35 -0.67 -1.91 0.00 0.00 174.94 173.94 1huk n ASP 159 N 4.00 1.19 0.32 4.50 -0.08 -1.26 -1.42 116.55 123.80 1huk n ASP 159 Ca -0.23 1.13 0.20 0.00 -1.51 0.00 0.00 54.79 54.38 1huk n ASP 159 Cb 0.51 -1.06 1.11 0.00 2.34 0.00 0.00 41.12 44.02 1huk n ASP 159 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1huk h ILE 160 N 3.75 0.16 -0.10 5.18 5.03 -0.51 -1.13 117.51 129.88 1huk h ILE 160 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1huk h ILE 160 Cb 1.37 0.97 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 1huk h ILE 160 CO 0.79 0.00 0.00 0.59 -0.68 0.00 0.00 178.15 178.85 1huk n ASN 161 N -3.31 2.53 -4.77 1.72 3.02 -1.26 -4.82 115.26 108.38 1huk n ASN 161 Ca -0.03 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 1huk n ASN 161 Cb 0.10 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1huk n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huk s ASP 162 N -1.87 6.80 0.37 6.41 -1.08 -0.43 -4.90 116.67 121.96 1huk s ASP 162 Ca 0.33 2.66 0.14 0.00 -0.52 0.00 0.00 52.55 55.15 1huk s ASP 162 Cb 0.20 -2.65 0.98 0.00 -1.46 0.00 0.00 42.92 40.00 1huk s ASP 162 CO 0.31 -0.52 1.78 -0.65 0.52 0.00 0.00 175.17 176.61 1huk h PRO 163 N 3.56 0.50 0.00 4.34 0.11 -1.91 0.83 132.00 139.43 1huk h PRO 163 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1huk h PRO 163 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1huk h PRO 163 CO 0.66 0.33 -0.26 -0.11 -0.21 0.00 0.00 178.00 178.42 1huk n LEU 164 N -4.67 0.30 -0.22 2.35 7.94 -1.26 -4.48 117.00 116.96 1huk n LEU 164 Ca 0.24 0.27 -0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1huk n LEU 164 Cb 0.75 -0.36 0.06 0.00 0.53 0.00 0.00 43.42 44.40 1huk n LEU 164 CO 0.24 0.04 0.73 0.00 -1.11 0.00 0.00 177.39 177.29 1huk h ALA 165 N 2.95 0.41 -0.04 1.96 0.00 -1.10 0.36 119.26 123.80 1huk h ALA 165 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1huk h ALA 165 Cb 0.53 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1huk h ALA 165 CO 0.00 -0.43 0.05 -1.35 0.00 0.00 0.00 179.25 177.52 1huk h PRO 166 N -0.01 0.00 -0.00 0.00 0.11 -1.79 -1.61 132.00 128.70 1huk h PRO 166 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1huk h PRO 166 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1huk h PRO 166 CO -0.67 0.00 -0.13 1.63 -0.21 0.00 0.00 178.00 178.61 1huk n LYS 167 N -3.82 0.35 -4.59 1.05 4.76 0.13 -4.81 118.16 111.23 1huk n LYS 167 Ca -0.02 -0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.01 1huk n LYS 167 Cb 0.14 -1.50 -0.17 0.00 -1.84 0.00 0.00 35.03 31.66 1huk n LYS 167 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1huk s LEU 168 N -2.72 1.96 0.00 -0.35 1.02 -0.61 -4.95 118.68 113.03 1huk s LEU 168 Ca 0.22 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1huk s LEU 168 Cb 0.19 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 45.10 1huk s LEU 168 CO 0.53 0.05 0.00 -3.20 0.02 0.00 0.00 176.35 173.75 1huk n ASN 169 N 4.12 0.84 -4.15 2.29 2.85 -1.26 -4.92 115.26 115.03 1huk n ASN 169 Ca -0.20 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.08 1huk n ASN 169 Cb 0.51 0.04 -0.09 0.00 1.24 0.00 0.00 39.78 41.48 1huk n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1huk s ASP 170 N -2.42 1.78 0.45 1.20 -1.08 -1.26 -4.69 116.67 110.64 1huk s ASP 170 Ca 0.00 -1.51 0.12 0.00 -0.52 0.00 0.00 52.55 50.64 1huk s ASP 170 Cb 0.00 0.29 1.00 0.00 -1.46 0.00 0.00 42.92 42.75 1huk s ASP 170 CO 0.00 -0.82 2.04 -0.29 0.52 0.00 0.00 175.17 176.62 1huk h ILE 171 N 2.17 1.10 0.00 4.11 6.09 -1.75 -0.66 117.51 128.56 1huk h ILE 171 Ca -0.36 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 1huk h ILE 171 Cb 1.25 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1huk h ILE 171 CO 0.57 0.12 0.00 -0.33 -3.07 0.00 0.00 178.15 175.45 1huk h GLU 172 N 0.17 0.00 0.00 2.19 3.07 -1.97 -1.89 114.58 116.14 1huk h GLU 172 Ca 0.04 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 1huk h GLU 172 Cb 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1huk h GLU 172 CO 0.00 0.00 -0.61 -0.44 -1.40 0.00 0.00 179.01 176.57 1huk h ASP 173 N 0.00 0.00 -0.68 1.42 3.32 -1.48 -2.41 116.42 116.59 1huk h ASP 173 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1huk h ASP 173 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1huk h ASP 173 CO 0.00 0.61 0.25 0.58 -1.72 0.00 0.00 179.24 178.96 1huk h VAL 174 N 0.00 1.25 -0.32 -1.35 2.07 -1.44 -0.61 116.25 115.85 1huk h VAL 174 Ca -0.01 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1huk h VAL 174 Cb 1.20 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1huk h VAL 174 CO 0.08 0.32 -0.06 -0.33 0.02 0.00 0.00 177.57 177.60 1huk h GLU 175 N 1.03 0.52 -0.14 1.57 5.08 -1.51 0.35 114.58 121.47 1huk h GLU 175 Ca 0.23 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1huk h GLU 175 Cb 0.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1huk h GLU 175 CO -0.02 0.59 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.07 1huk h LYS 176 N 0.49 0.45 0.00 2.33 3.64 -0.85 -3.28 116.57 119.35 1huk h LYS 176 Ca 0.10 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1huk h LYS 176 Cb 0.41 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1huk h LYS 176 CO 0.02 0.90 -1.64 0.66 -2.27 0.00 0.00 179.45 177.12 1huk n TYR 177 N -4.40 0.00 -3.01 1.91 4.01 -0.31 -4.56 117.16 110.81 1huk n TYR 177 Ca -0.07 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 1huk n TYR 177 Cb 0.47 -0.32 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1huk n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1huk n PHE 178 N -1.99 3.07 -1.79 -0.72 3.01 0.12 -5.07 117.46 114.09 1huk n PHE 178 Ca -0.03 -3.95 -0.42 0.00 1.01 0.00 0.00 57.45 54.06 1huk n PHE 178 Cb 0.37 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 1huk n PHE 178 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1huk s PRO 179 N -3.20 4.16 0.00 -1.08 0.02 -1.24 -1.57 135.00 132.08 1huk s PRO 179 Ca 0.47 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.96 1huk s PRO 179 Cb 0.30 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.78 1huk s PRO 179 CO -0.12 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 1huk n GLY 180 N 4.37 2.04 0.27 0.52 0.00 -1.26 -4.92 105.19 106.21 1huk n GLY 180 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1huk n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1huk h LEU 181 N 0.00 0.54 -0.55 0.99 5.85 -1.63 0.03 115.31 120.54 1huk h LEU 181 Ca 0.00 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 1huk h LEU 181 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1huk h LEU 181 CO 0.00 0.64 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.47 1huk h LEU 182 N 0.54 0.97 -0.50 2.25 3.38 -1.91 0.46 115.31 120.51 1huk h LEU 182 Ca 0.11 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1huk h LEU 182 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1huk h LEU 182 CO 0.02 1.14 0.08 -0.09 0.09 0.00 0.00 178.44 179.67 1huk h ARG 183 N 0.83 0.83 -0.40 1.13 9.65 -1.87 -1.18 114.38 123.37 1huk h ARG 183 Ca 0.11 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1huk h ARG 183 Cb 0.77 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1huk h ARG 183 CO 0.06 0.83 0.26 0.00 2.80 0.00 0.00 179.97 183.92 1huk h ALA 184 N 0.97 0.51 0.05 2.80 0.00 -0.73 0.11 119.26 122.97 1huk h ALA 184 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1huk h ALA 184 Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1huk h ALA 184 CO 0.01 -0.05 -0.22 1.15 0.00 0.00 0.00 179.25 180.14 1huk h THR 185 N 0.53 0.50 -0.26 0.00 2.02 -0.75 0.15 112.91 115.09 1huk h THR 185 Ca 0.15 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.39 1huk h THR 185 Cb -0.04 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 1huk h THR 185 CO -0.04 0.00 -0.21 -1.13 0.37 0.00 0.00 175.52 174.51 1huk h ASN 186 N -0.37 -0.67 -0.43 4.18 -0.73 -0.96 -1.76 115.58 114.84 1huk h ASN 186 Ca 0.05 0.13 0.03 0.00 1.87 0.00 0.00 56.30 58.38 1huk h ASN 186 Cb 0.43 0.33 -0.03 0.00 0.27 0.00 0.00 38.32 39.31 1huk h ASN 186 CO -0.17 -0.24 0.22 -0.08 -0.37 0.00 0.00 177.43 176.79 1huk h GLU 187 N -0.20 0.44 -0.51 6.67 4.81 -0.44 -2.60 114.58 122.75 1huk h GLU 187 Ca 0.14 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1huk h GLU 187 Cb 0.42 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1huk h GLU 187 CO -0.38 0.29 0.14 2.35 -0.73 0.00 0.00 179.01 180.68 1huk h TRP 188 N 0.45 0.84 0.00 0.92 7.01 -0.21 -2.11 115.95 122.85 1huk h TRP 188 Ca 0.18 -0.09 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 1huk h TRP 188 Cb 0.07 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1huk h TRP 188 CO -0.09 0.74 -0.42 0.74 -2.79 0.00 0.00 178.44 176.61 1huk h PHE 189 N 0.70 0.00 -0.28 2.65 0.04 -1.26 -0.01 116.94 118.79 1huk h PHE 189 Ca 0.16 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.75 1huk h PHE 189 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1huk h PHE 189 CO 0.02 0.42 -0.52 0.00 -0.60 0.00 0.00 178.31 177.63 1huk h ARG 190 N 0.00 0.85 0.00 1.51 3.08 -1.12 -3.38 114.38 115.32 1huk h ARG 190 Ca -0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1huk h ARG 190 Cb 1.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1huk h ARG 190 CO 0.05 1.17 -1.16 0.44 -1.07 0.00 0.00 179.97 179.41 1huk n ILE 191 N -4.04 0.00 0.12 2.04 -5.35 -0.82 -0.31 119.36 110.99 1huk n ILE 191 Ca -0.04 -0.25 0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1huk n ILE 191 Cb 0.61 0.58 0.14 0.00 -1.74 0.00 0.00 39.64 39.24 1huk n ILE 191 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1huk n TYR 192 N -1.67 0.11 0.28 4.28 4.11 -0.03 -0.71 117.16 123.54 1huk n TYR 192 Ca -0.00 0.06 0.11 0.00 -0.00 0.00 0.00 57.90 58.07 1huk n TYR 192 Cb 0.30 -0.59 -0.10 0.00 -0.00 0.00 0.00 39.34 38.95 1huk n TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1huk n LYS 193 N -1.61 0.47 -0.30 -3.48 5.02 -1.26 -4.53 118.16 112.47 1huk n LYS 193 Ca 0.01 -0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1huk n LYS 193 Cb 0.04 -1.57 0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1huk n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1huk h ILE 194 N 0.00 1.07 0.00 -0.18 2.04 -1.01 0.13 117.51 119.56 1huk h ILE 194 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1huk h ILE 194 Cb 0.87 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1huk h ILE 194 CO 0.00 0.18 0.00 -0.65 0.00 0.00 0.00 178.15 177.68 1huk h PRO 195 N 0.97 0.00 -0.70 2.37 0.11 -1.80 -0.47 132.00 132.48 1huk h PRO 195 Ca 0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.37 1huk h PRO 195 Cb 0.11 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 1huk h PRO 195 CO -0.15 0.00 0.12 -0.25 -0.21 0.00 0.00 178.00 177.51 1huk n ASP 196 N -2.58 4.92 -0.51 -2.05 8.00 0.42 -4.88 116.55 119.87 1huk n ASP 196 Ca -0.02 -2.95 -0.07 0.00 0.71 0.00 0.00 54.79 52.46 1huk n ASP 196 Cb 0.07 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1huk n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huk n GLY 197 N 0.25 0.80 3.96 0.44 0.00 -0.19 -5.00 105.19 105.46 1huk n GLY 197 Ca 0.31 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1huk n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huk s LYS 198 N -2.18 3.21 0.96 1.61 -0.14 -1.00 -5.02 119.74 117.18 1huk s LYS 198 Ca 0.00 -0.65 -0.15 0.00 -1.36 0.00 0.00 55.97 53.81 1huk s LYS 198 Cb 0.00 -2.70 0.18 0.00 -1.68 0.00 0.00 37.83 33.63 1huk s LYS 198 CO 0.00 -0.01 1.23 -1.25 -0.76 0.00 0.00 175.35 174.57 1huk s PRO 199 N -4.32 0.66 0.25 -1.68 0.04 -1.26 -3.77 135.00 124.92 1huk s PRO 199 Ca 0.44 -0.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.03 1huk s PRO 199 Cb -0.10 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1huk s PRO 199 CO 0.34 -2.44 1.07 -2.00 0.04 0.00 0.00 177.00 174.01 1huk s GLU 200 N -5.66 4.68 0.74 4.56 2.12 -1.26 -4.39 118.70 119.49 1huk s GLU 200 Ca 0.70 1.72 -0.08 0.00 0.36 0.00 0.00 54.97 57.67 1huk s GLU 200 Cb -0.08 -3.22 0.07 0.00 0.26 0.00 0.00 34.13 31.16 1huk s GLU 200 CO 0.53 0.25 1.07 -0.80 -0.54 0.00 0.00 175.26 175.77 1huk s ASN 201 N -0.81 4.65 -0.09 -1.70 0.01 0.57 -5.03 114.94 112.55 1huk s ASN 201 Ca 0.45 0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 53.08 1huk s ASN 201 Cb -0.30 -1.09 0.04 0.00 0.41 0.00 0.00 41.25 40.30 1huk s ASN 201 CO 0.38 -1.73 0.06 0.00 -1.51 0.00 0.00 177.10 174.30 1huk s GLN 202 N -5.36 0.14 0.23 -0.60 0.00 -1.26 -4.63 119.66 108.18 1huk s GLN 202 Ca 0.61 0.14 -0.07 0.00 -0.00 0.00 0.00 55.36 56.04 1huk s GLN 202 Cb -0.10 -1.09 -0.06 0.00 0.00 0.00 0.00 33.01 31.76 1huk s GLN 202 CO 0.46 -0.45 0.52 -0.06 0.00 0.00 0.00 175.29 175.77 1huk s PHE 203 N 2.10 3.45 0.73 9.60 0.08 -1.26 -0.78 117.98 131.90 1huk s PHE 203 Ca 0.04 0.74 -0.04 0.00 0.12 0.00 0.00 56.93 57.78 1huk s PHE 203 Cb -0.14 -2.16 0.11 0.00 -0.57 0.00 0.00 43.02 40.26 1huk s PHE 203 CO -0.05 0.27 1.02 0.00 -0.10 0.00 0.00 175.22 176.35 1huk s ALA 204 N -1.88 3.38 -0.86 5.36 0.00 0.12 -4.36 121.76 123.52 1huk s ALA 204 Ca 0.45 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1huk s ALA 204 Cb -0.11 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1huk s ALA 204 CO 0.25 -1.47 0.00 1.19 0.00 0.00 0.00 175.76 175.73 1huk n PHE 205 N -2.92 -1.19 -4.17 0.00 3.72 -1.26 -0.48 117.46 111.15 1huk n PHE 205 Ca 0.12 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.20 1huk n PHE 205 Cb 0.60 -2.24 -0.04 0.00 -0.94 0.00 0.00 39.48 36.86 1huk n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1huk n SER 206 N -1.12 -1.55 0.00 4.37 7.64 -1.26 -1.62 113.62 120.08 1huk n SER 206 Ca -0.10 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1huk n SER 206 Cb 0.48 -2.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 1huk n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1huk n GLY 207 N -1.75 1.23 3.69 0.23 0.00 0.37 -5.00 105.19 103.95 1huk n GLY 207 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1huk n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1huk s GLU 208 N -0.41 4.23 -0.25 1.61 2.12 -0.64 -4.97 118.70 120.39 1huk s GLU 208 Ca 0.00 2.23 -0.29 0.00 0.36 0.00 0.00 54.97 57.27 1huk s GLU 208 Cb 0.00 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1huk s GLU 208 CO 0.00 -0.67 1.36 0.00 -0.54 0.00 0.00 175.26 175.41 1huk s ALA 209 N 2.34 3.42 0.87 6.30 0.00 -1.26 -4.50 121.76 128.93 1huk s ALA 209 Ca 0.71 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 1huk s ALA 209 Cb -0.38 -3.76 0.11 0.00 0.00 0.00 0.00 23.12 19.10 1huk s ALA 209 CO 0.31 -1.67 1.13 0.15 0.00 0.00 0.00 175.76 175.68 1huk s LYS 210 N 4.12 1.47 0.28 0.00 1.02 0.22 -4.79 119.74 122.05 1huk s LYS 210 Ca 0.59 0.34 -0.03 0.00 0.02 0.00 0.00 55.97 56.89 1huk s LYS 210 Cb -0.20 -1.87 0.06 0.00 -0.52 0.00 0.00 37.83 35.30 1huk s LYS 210 CO 0.23 -1.98 0.38 0.27 -0.92 0.00 0.00 175.35 173.33 1huk n ASN 211 N -3.63 0.22 -0.17 2.83 6.94 -1.26 -0.74 115.26 119.46 1huk n ASN 211 Ca 0.07 -1.26 -0.08 0.00 -0.02 0.00 0.00 54.58 53.29 1huk n ASN 211 Cb 0.59 -0.28 0.01 0.00 -2.36 0.00 0.00 39.78 37.74 1huk n ASN 211 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1huk h LYS 212 N 0.00 0.72 -0.49 -3.83 3.64 -1.85 -0.26 116.57 114.49 1huk h LYS 212 Ca -0.13 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1huk h LYS 212 Cb 0.39 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1huk h LYS 212 CO 0.11 0.63 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.52 1huk h LYS 213 N 0.64 0.97 -0.54 1.90 1.63 -1.93 0.14 116.57 119.36 1huk h LYS 213 Ca 0.16 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1huk h LYS 213 Cb 0.17 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 1huk h LYS 213 CO -0.02 1.05 0.30 -0.92 -3.45 0.00 0.00 179.45 176.42 1huk h TYR 214 N 0.84 0.72 -0.19 1.91 5.03 -1.75 -0.38 116.97 123.15 1huk h TYR 214 Ca 0.12 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.28 1huk h TYR 214 Cb 0.74 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1huk h TYR 214 CO 0.05 0.50 -0.48 0.00 -1.32 0.00 0.00 178.16 176.92 1huk h ALA 215 N 1.58 0.81 -0.41 1.82 0.00 0.24 -3.05 119.26 120.26 1huk h ALA 215 Ca 0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1huk h ALA 215 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1huk h ALA 215 CO -0.03 0.66 -0.27 -0.07 0.00 0.00 0.00 179.25 179.54 1huk h LEU 216 N 0.41 0.90 -0.17 0.00 3.38 0.76 -1.23 115.31 119.35 1huk h LEU 216 Ca 0.02 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1huk h LEU 216 Cb 0.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1huk h LEU 216 CO 0.09 1.12 0.11 0.44 0.09 0.00 0.00 178.44 180.28 1huk h ASP 217 N 0.74 0.19 -0.50 -0.43 3.32 -1.13 -0.90 116.42 117.72 1huk h ASP 217 Ca 0.09 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1huk h ASP 217 Cb 0.83 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1huk h ASP 217 CO 0.07 0.14 0.02 0.40 -1.72 0.00 0.00 179.24 178.15 1huk h ILE 218 N 0.23 1.26 -0.14 0.35 1.08 -1.44 -1.86 117.51 117.00 1huk h ILE 218 Ca 0.06 -1.05 -0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1huk h ILE 218 Cb -0.02 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1huk h ILE 218 CO -0.02 0.37 0.07 0.40 -0.69 0.00 0.00 178.15 178.28 1huk h ILE 219 N 0.73 1.12 -0.02 -0.67 2.04 -0.87 -0.89 117.51 118.95 1huk h ILE 219 Ca 0.14 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1huk h ILE 219 Cb 0.49 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1huk h ILE 219 CO 0.02 0.11 -0.12 0.11 0.00 0.00 0.00 178.15 178.27 1huk h LYS 220 N 0.10 0.02 0.75 2.37 6.56 -1.16 -0.53 116.57 124.69 1huk h LYS 220 Ca 0.05 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 1huk h LYS 220 Cb 0.11 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1huk h LYS 220 CO -0.01 0.15 -0.36 0.93 -2.06 0.00 0.00 179.45 178.10 1huk h GLU 221 N 0.02 -0.98 0.00 3.15 5.08 -0.47 -1.96 114.58 119.44 1huk h GLU 221 Ca 0.00 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1huk h GLU 221 Cb 0.23 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1huk h GLU 221 CO 0.02 -0.65 -0.12 1.79 -1.00 0.00 0.00 179.01 179.04 1huk h THR 222 N -1.01 0.48 -0.25 1.13 1.35 -0.42 -0.90 112.91 113.29 1huk h THR 222 Ca -0.10 -0.62 -0.07 0.00 -0.55 0.00 0.00 66.41 65.06 1huk h THR 222 Cb 0.78 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1huk h THR 222 CO 0.17 0.12 -0.12 -0.74 -0.25 0.00 0.00 175.52 174.70 1huk h HIS 223 N 0.00 0.61 -0.25 4.73 -0.00 -0.97 -1.56 115.15 117.71 1huk h HIS 223 Ca -0.00 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 60.16 1huk h HIS 223 Cb 0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1huk h HIS 223 CO 0.00 0.79 -0.08 -0.44 -0.00 0.00 0.00 177.93 178.20 1huk h ASP 224 N 0.26 0.38 -0.62 3.26 3.32 -0.39 -0.67 116.42 121.95 1huk h ASP 224 Ca 0.06 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1huk h ASP 224 Cb 0.63 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1huk h ASP 224 CO 0.04 0.50 0.32 0.28 -1.72 0.00 0.00 179.24 178.66 1huk h SER 225 N 0.38 0.80 0.21 6.45 0.02 -1.34 -2.74 113.55 117.34 1huk h SER 225 Ca 0.08 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1huk h SER 225 Cb 0.38 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1huk h SER 225 CO 0.02 0.69 -0.50 -0.25 -1.14 0.00 0.00 176.83 175.65 1huk h TRP 226 N 0.85 0.40 -0.68 3.45 7.01 -0.84 -0.86 115.95 125.27 1huk h TRP 226 Ca 0.22 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 61.14 1huk h TRP 226 Cb 0.09 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 1huk h TRP 226 CO -0.00 0.76 0.40 0.87 -2.79 0.00 0.00 178.44 177.68 1huk h LYS 227 N 0.26 0.73 -0.01 2.65 1.57 -0.96 0.24 116.57 121.05 1huk h LYS 227 Ca 0.01 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1huk h LYS 227 Cb 0.97 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1huk h LYS 227 CO 0.08 0.48 -0.77 -0.56 -0.57 0.00 0.00 179.45 178.11 1huk h GLN 228 N 0.75 0.10 0.26 3.15 3.07 -1.19 -1.94 115.11 119.32 1huk h GLN 228 Ca 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 1huk h GLN 228 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1huk h GLN 228 CO -0.15 0.83 -0.12 1.25 0.09 0.00 0.00 178.83 180.72 1huk h LEU 229 N 0.06 -0.29 -1.45 0.06 5.85 -0.62 0.26 115.31 119.18 1huk h LEU 229 Ca -0.02 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1huk h LEU 229 Cb 1.36 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1huk h LEU 229 CO 0.11 -0.12 -0.15 -0.29 -0.34 0.00 0.00 178.44 177.66 1huk h ILE 230 N -0.46 0.42 -0.00 4.05 6.09 -0.52 -2.38 117.51 124.71 1huk h ILE 230 Ca -0.04 -0.82 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 1huk h ILE 230 Cb 0.34 1.58 0.00 0.00 0.47 0.00 0.00 36.82 39.22 1huk h ILE 230 CO 0.06 0.14 -0.11 0.00 -3.07 0.00 0.00 178.15 175.17 1huk n ALA 231 N -2.20 2.62 -0.43 0.18 0.00 -0.73 -4.24 120.51 115.70 1huk n ALA 231 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1huk n ALA 231 Cb 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1huk n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1huk n GLY 232 N 1.46 0.74 0.77 0.00 0.00 -0.90 -4.61 105.19 102.66 1huk n GLY 232 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1huk n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1huk n LYS 233 N -2.18 2.06 -2.14 1.61 4.76 0.87 -4.93 118.16 118.21 1huk n LYS 233 Ca 0.00 -1.54 -0.37 0.00 -2.87 0.00 0.00 58.31 53.53 1huk n LYS 233 Cb 0.00 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 1huk n LYS 233 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1huk s SER 234 N -1.95 5.80 0.41 4.39 0.15 -1.04 -4.87 113.70 116.59 1huk s SER 234 Ca 0.33 2.38 0.17 0.00 0.70 0.00 0.00 55.95 59.53 1huk s SER 234 Cb 0.20 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.80 1huk s SER 234 CO 0.31 -1.18 1.87 0.77 1.20 0.00 0.00 173.24 176.22 1huk h SER 235 N 1.65 0.00 -0.64 5.45 4.64 -1.94 -3.43 113.55 119.28 1huk h SER 235 Ca -0.50 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 60.96 1huk h SER 235 Cb 1.27 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.15 1huk h SER 235 CO 0.58 0.31 -0.14 -0.62 -0.87 0.00 0.00 176.83 176.09 1huk s ASP 236 N -6.65 -0.98 -0.48 4.97 2.15 -1.26 -5.02 116.67 109.40 1huk s ASP 236 Ca -0.02 0.31 0.04 0.00 0.43 0.00 0.00 52.55 53.31 1huk s ASP 236 Cb 0.13 1.70 0.42 0.00 -0.30 0.00 0.00 42.92 44.87 1huk s ASP 236 CO 0.68 -0.18 1.30 -1.54 -0.17 0.00 0.00 175.17 175.27 1huk n SER 237 N 5.35 5.30 -4.69 -0.34 3.41 -1.26 -4.99 113.62 116.40 1huk n SER 237 Ca 0.02 -3.75 -0.51 0.00 -0.26 0.00 0.00 58.87 54.38 1huk n SER 237 Cb 0.54 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1huk n SER 237 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1huk n LYS 238 N -0.55 1.87 0.00 4.33 -0.00 -1.26 -2.55 118.16 120.00 1huk n LYS 238 Ca 0.43 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 59.43 1huk n LYS 238 Cb 0.66 -2.48 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 1huk n LYS 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1huk n GLY 239 N 4.24 3.21 3.66 2.58 0.00 -1.26 -4.98 105.19 112.64 1huk n GLY 239 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1huk n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1huk s ILE 240 N -1.86 4.82 -0.29 -0.61 1.01 -1.06 -3.88 121.20 119.34 1huk s ILE 240 Ca 0.00 1.72 -0.27 0.00 0.00 0.00 0.00 60.65 62.10 1huk s ILE 240 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1huk s ILE 240 CO 0.00 -0.04 0.95 -0.62 0.00 0.00 0.00 174.94 175.23 1huk s ASP 241 N 1.21 6.86 -0.08 3.58 -1.08 0.51 -4.92 116.67 122.75 1huk s ASP 241 Ca 0.39 0.99 0.19 0.00 -0.52 0.00 0.00 52.55 53.60 1huk s ASP 241 Cb -0.16 -2.49 0.68 0.00 -1.46 0.00 0.00 42.92 39.49 1huk s ASP 241 CO 0.10 -0.71 1.58 0.18 0.52 0.00 0.00 175.17 176.84 1huk n LEU 242 N 6.45 4.38 -4.74 -1.34 4.77 -1.26 -4.83 117.00 120.42 1huk n LEU 242 Ca 0.09 -2.20 -0.42 0.00 -0.03 0.00 0.00 56.01 53.44 1huk n LEU 242 Cb 0.47 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1huk n LEU 242 CO 0.53 0.83 1.27 -0.89 -1.33 0.00 0.00 177.39 177.80 1huk s THR 243 N -1.61 2.19 0.19 -5.08 2.01 -1.26 -4.69 115.64 107.39 1huk s THR 243 Ca 0.49 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.55 1huk s THR 243 Cb 0.30 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1huk s THR 243 CO 0.26 0.02 0.33 0.54 -0.69 0.00 0.00 174.62 175.08 1huk s ASN 244 N 0.77 0.00 -0.00 3.53 2.20 -1.16 -4.43 114.94 115.85 1huk s ASN 244 Ca 0.67 -0.92 0.00 0.00 -0.94 0.00 0.00 52.86 51.67 1huk s ASN 244 Cb -0.47 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.25 1huk s ASN 244 CO 0.40 -0.96 0.63 1.33 -2.94 0.00 0.00 177.10 175.57 1huk n VAL 245 N -0.27 0.26 0.00 3.54 0.24 -1.26 -0.98 118.33 119.86 1huk n VAL 245 Ca -0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1huk n VAL 245 Cb 0.63 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1huk n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1huk n THR 246 N -0.13 0.00 -3.62 3.34 -2.24 -1.26 -4.77 114.28 105.60 1huk n THR 246 Ca 0.00 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 1huk n THR 246 Cb 0.44 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 1huk n THR 246 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1huk s LEU 247 N -1.75 5.59 0.04 3.22 1.43 -1.26 -4.97 118.68 120.98 1huk s LEU 247 Ca 0.00 -3.14 0.21 0.00 -1.03 0.00 0.00 54.13 50.17 1huk s LEU 247 Cb 0.00 -1.93 0.86 0.00 0.03 0.00 0.00 46.19 45.14 1huk s LEU 247 CO 0.00 -0.33 1.65 -2.65 0.23 0.00 0.00 176.35 175.25 1huk n PRO 248 N 3.15 0.03 0.00 1.29 -0.02 -1.26 -1.66 135.00 136.53 1huk n PRO 248 Ca 0.14 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1huk n PRO 248 Cb 0.39 -1.55 0.02 0.00 -0.02 0.00 0.00 33.50 32.34 1huk n PRO 248 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1huk n ASP 249 N -1.61 1.85 -4.76 2.55 -0.08 -1.26 -4.92 116.55 108.31 1huk n ASP 249 Ca 0.05 -1.42 -0.35 0.00 -1.51 0.00 0.00 54.79 51.55 1huk n ASP 249 Cb 0.24 0.33 0.03 0.00 2.34 0.00 0.00 41.12 44.07 1huk n ASP 249 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1huk s THR 250 N -1.75 2.85 0.58 5.18 -4.23 -0.67 -4.90 115.64 112.71 1huk s THR 250 Ca 0.15 0.50 0.29 0.00 -1.18 0.00 0.00 61.69 61.44 1huk s THR 250 Cb 0.13 -3.15 0.38 0.00 1.34 0.00 0.00 72.50 71.21 1huk s THR 250 CO 0.35 -0.14 1.94 -0.65 -0.54 0.00 0.00 174.62 175.58 1huk h PRO 251 N 0.74 0.00 -0.05 3.99 0.11 -1.82 -3.06 132.00 131.91 1huk h PRO 251 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1huk h PRO 251 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1huk h PRO 251 CO 0.55 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 1huk n THR 252 N -3.80 1.01 -1.55 -1.15 -2.24 -1.26 -5.00 114.28 100.29 1huk n THR 252 Ca 0.07 -1.01 -0.44 0.00 -2.27 0.00 0.00 64.05 60.40 1huk n THR 252 Cb 0.61 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 1huk n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1huk n TYR 253 N -0.35 0.88 -2.79 4.78 9.36 -1.16 -2.99 117.16 124.89 1huk n TYR 253 Ca 0.02 0.72 0.01 0.00 3.32 0.00 0.00 57.90 61.97 1huk n TYR 253 Cb 0.28 -2.19 0.01 0.00 -0.63 0.00 0.00 39.34 36.81 1huk n TYR 253 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1huk s SER 254 N -0.66 -0.43 0.43 2.98 0.15 -0.15 -4.88 113.70 111.13 1huk s SER 254 Ca 0.60 -0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.16 1huk s SER 254 Cb -0.71 0.56 1.09 0.00 -1.71 0.00 0.00 66.02 65.24 1huk s SER 254 CO 0.59 -0.04 1.91 0.11 1.20 0.00 0.00 173.24 177.01 1huk h LYS 255 N 5.41 0.37 0.00 5.44 1.57 -1.86 -1.00 116.57 126.50 1huk h LYS 255 Ca -0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1huk h LYS 255 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1huk h LYS 255 CO -0.06 0.24 -0.18 0.00 -0.57 0.00 0.00 179.45 178.88 1huk h ALA 256 N 1.64 1.19 -0.73 3.86 0.00 -1.96 -1.66 119.26 121.61 1huk h ALA 256 Ca 0.38 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.28 1huk h ALA 256 Cb 0.93 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1huk h ALA 256 CO -0.12 0.23 0.17 0.00 0.00 0.00 0.00 179.25 179.53 1huk h ALA 257 N 1.82 0.93 -0.44 0.00 0.00 -1.56 0.17 119.26 120.18 1huk h ALA 257 Ca -0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1huk h ALA 257 Cb 0.51 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1huk h ALA 257 CO 0.02 -0.34 -0.08 1.03 0.00 0.00 0.00 179.25 179.88 1huk h SER 258 N 0.26 -0.36 1.00 0.00 0.87 -1.46 -2.12 113.55 111.75 1huk h SER 258 Ca 0.41 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1huk h SER 258 Cb 0.70 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1huk h SER 258 CO -0.51 -0.13 0.00 0.44 -0.53 0.00 0.00 176.83 176.10 1huk h ASP 259 N 0.02 0.00 0.76 6.23 5.19 -0.77 -2.42 116.42 125.43 1huk h ASP 259 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1huk h ASP 259 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1huk h ASP 259 CO -0.44 0.00 -0.08 0.00 -3.12 0.00 0.00 179.24 175.60 1huk n ALA 260 N -1.92 2.58 -2.54 3.45 0.00 -0.51 -4.82 120.51 116.75 1huk n ALA 260 Ca 0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1huk n ALA 260 Cb 0.30 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1huk n ALA 260 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1huk s ILE 261 N -2.83 4.44 0.94 0.00 -1.09 -0.91 -5.01 121.20 116.73 1huk s ILE 261 Ca 0.19 1.74 -0.12 0.00 -2.23 0.00 0.00 60.65 60.23 1huk s ILE 261 Cb 0.19 -4.12 0.06 0.00 -1.58 0.00 0.00 42.46 37.01 1huk s ILE 261 CO 0.53 0.04 0.59 -2.65 -1.23 0.00 0.00 174.94 172.21 1huk n PRO 262 N 4.81 -0.32 -1.32 2.79 -0.02 -1.26 -4.98 135.00 134.70 1huk n PRO 262 Ca 0.09 -0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 1huk n PRO 262 Cb 0.47 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 32.06 1huk n PRO 262 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1huk s PRO 263 N -3.86 2.18 -0.07 0.52 0.02 -1.26 -4.94 135.00 127.59 1huk s PRO 263 Ca 0.59 1.37 -0.36 0.00 0.02 0.00 0.00 61.00 62.62 1huk s PRO 263 Cb -0.22 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 1huk s PRO 263 CO 0.65 -1.73 1.68 0.00 -0.33 0.00 0.00 177.00 177.27 1huk n ALA 264 N -3.25 0.30 -1.77 -1.55 0.00 -1.26 -4.80 120.51 108.19 1huk n ALA 264 Ca 0.10 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.59 1huk n ALA 264 Cb 0.52 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 1huk n ALA 264 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1huk s SER 265 N 2.66 6.18 -0.72 0.00 0.01 0.17 -4.98 113.70 117.02 1huk s SER 265 Ca 0.90 1.91 -0.01 0.00 1.31 0.00 0.00 55.95 60.07 1huk s SER 265 Cb -0.85 -2.55 0.40 0.00 0.21 0.00 0.00 66.02 63.22 1huk s SER 265 CO 0.52 -0.90 1.91 0.18 0.41 0.00 0.00 173.24 175.37 1huk n LEU 266 N -1.24 7.23 -4.35 2.44 4.77 -1.26 -4.83 117.00 119.75 1huk n LEU 266 Ca 0.09 -4.67 -0.32 0.00 -0.03 0.00 0.00 56.01 51.08 1huk n LEU 266 Cb 0.52 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.52 1huk n LEU 266 CO 0.42 1.72 -0.49 -0.54 -1.33 0.00 0.00 177.39 177.16 1huk s LYS 267 N -3.92 2.87 0.72 3.23 -0.14 -1.26 -5.10 119.74 116.13 1huk s LYS 267 Ca 0.56 -0.77 -0.12 0.00 -1.36 0.00 0.00 55.97 54.27 1huk s LYS 267 Cb 0.46 -2.39 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1huk s LYS 267 CO -0.23 0.37 1.10 0.00 -0.76 0.00 0.00 175.35 175.83 1huk s ALA 268 N -0.10 2.38 0.25 5.17 0.00 -1.26 -4.59 121.76 123.60 1huk s ALA 268 Ca -0.03 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 1huk s ALA 268 Cb -0.14 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 1huk s ALA 268 CO 0.04 -1.51 1.57 -0.25 0.00 0.00 0.00 175.76 175.60 1huk n ASP 269 N -3.01 3.50 -4.75 0.00 9.92 -1.26 -4.24 116.55 116.71 1huk n ASP 269 Ca 0.10 1.12 -0.38 0.00 -0.53 0.00 0.00 54.79 55.10 1huk n ASP 269 Cb 0.53 -1.53 0.03 0.00 -0.64 0.00 0.00 41.12 39.51 1huk n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1huk s ALA 270 N 0.30 2.79 0.67 2.24 0.00 0.22 -4.86 121.76 123.13 1huk s ALA 270 Ca 0.69 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.68 1huk s ALA 270 Cb -0.56 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.06 1huk s ALA 270 CO 0.45 -1.19 1.16 -1.25 0.00 0.00 0.00 175.76 174.92 1huk s PRO 271 N -2.95 2.57 -0.09 0.00 0.04 -1.26 -4.70 135.00 128.60 1huk s PRO 271 Ca 0.71 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 1huk s PRO 271 Cb -0.36 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1huk s PRO 271 CO 0.42 -1.47 -0.03 0.42 0.04 0.00 0.00 177.00 176.38 1huk s ILE 272 N -2.07 3.99 0.42 0.56 1.01 -1.26 -5.00 121.20 118.85 1huk s ILE 272 Ca 0.72 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 60.74 1huk s ILE 272 Cb -0.25 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 1huk s ILE 272 CO 0.41 0.58 1.46 -0.67 0.00 0.00 0.00 174.94 176.72 1huk n ASP 273 N 2.49 3.54 0.13 3.58 2.03 -1.26 -4.84 116.55 122.22 1huk n ASP 273 Ca -0.18 1.17 0.10 0.00 0.52 0.00 0.00 54.79 56.40 1huk n ASP 273 Cb 0.53 -1.61 0.49 0.00 -0.72 0.00 0.00 41.12 39.81 1huk n ASP 273 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1huk n LYS 274 N 0.07 0.15 0.21 -0.67 2.85 -1.26 -1.44 118.16 118.06 1huk n LYS 274 Ca 0.03 0.51 0.07 0.00 -1.05 0.00 0.00 58.31 57.88 1huk n LYS 274 Cb 0.40 -1.86 0.60 0.00 -0.65 0.00 0.00 35.03 33.52 1huk n LYS 274 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1huk h SER 275 N 0.00 0.09 0.76 -5.58 4.64 -2.01 -0.91 113.55 110.54 1huk h SER 275 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1huk h SER 275 Cb 0.17 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1huk h SER 275 CO 0.00 0.06 0.00 -0.38 -0.87 0.00 0.00 176.83 175.64 1huk n ILE 276 N -4.53 0.79 -0.25 0.95 2.08 -0.52 -1.61 119.36 116.28 1huk n ILE 276 Ca -0.02 0.16 -0.02 0.00 0.56 0.00 0.00 62.75 63.43 1huk n ILE 276 Cb 0.09 -0.99 0.16 0.00 -0.75 0.00 0.00 39.64 38.16 1huk n ILE 276 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1huk h ASP 277 N 0.00 0.96 -1.97 4.38 3.32 -1.34 -3.42 116.42 118.35 1huk h ASP 277 Ca 0.00 -0.09 -0.65 0.00 0.02 0.00 0.00 57.03 56.32 1huk h ASP 277 Cb 0.38 -0.24 0.07 0.00 0.22 0.00 0.00 39.33 39.76 1huk h ASP 277 CO 0.00 0.78 0.40 1.17 -1.72 0.00 0.00 179.24 179.88 1huk n LYS 278 N -4.34 1.33 -3.40 3.56 4.81 -0.63 -4.90 118.16 114.58 1huk n LYS 278 Ca 0.08 0.48 -0.38 0.00 -0.87 0.00 0.00 58.31 57.61 1huk n LYS 278 Cb 0.11 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.03 1huk n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1huk s TRP 279 N 0.11 3.41 -0.18 5.64 -0.11 -1.26 -3.56 118.94 122.99 1huk s TRP 279 Ca 0.77 0.66 -0.07 0.00 1.22 0.00 0.00 56.10 58.67 1huk s TRP 279 Cb -0.85 -2.50 -0.04 0.00 -1.50 0.00 0.00 33.47 28.59 1huk s TRP 279 CO 0.49 0.07 0.05 -0.06 -4.62 0.00 0.00 176.95 172.88 1huk s PHE 280 N 1.04 3.21 -2.30 5.86 0.40 0.11 -4.93 117.98 121.39 1huk s PHE 280 Ca 0.20 0.00 0.18 0.00 -0.60 0.00 0.00 56.93 56.71 1huk s PHE 280 Cb -0.14 -2.08 0.15 0.00 0.51 0.00 0.00 43.02 41.45 1huk s PHE 280 CO 0.07 0.10 1.08 1.19 0.70 0.00 0.00 175.22 178.37