#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n ALA 4 N 0.00 0.00 -0.18 6.98 0.00 -1.26 -4.63 120.51 121.42 3huz n ALA 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3huz n ALA 4 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 3huz n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3huz n TYR 5 N 0.00 1.09 -0.05 0.00 4.02 -1.26 -3.63 117.16 117.33 3huz n TYR 5 Ca 0.00 -0.48 -0.01 0.00 -0.01 0.00 0.00 57.90 57.41 3huz n TYR 5 Cb 0.00 -0.11 -0.12 0.00 -0.02 0.00 0.00 39.34 39.09 3huz n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3huz n ASP 6 N 1.16 1.31 -0.12 7.72 8.00 -1.26 -4.23 116.55 129.13 3huz n ASP 6 Ca 0.22 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.64 3huz n ASP 6 Cb 0.67 1.24 -0.00 0.00 -0.02 0.00 0.00 41.12 43.01 3huz n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3huz h VAL 7 N 0.00 1.11 -3.51 2.53 2.07 -1.93 -3.41 116.25 113.12 3huz h VAL 7 Ca -0.23 -0.21 -0.61 0.00 0.82 0.00 0.00 66.70 66.47 3huz h VAL 7 Cb 1.42 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 31.63 3huz h VAL 7 CO 0.01 0.10 -0.28 -0.63 0.02 0.00 0.00 177.57 176.80 3huz s ILE 8 N -6.11 5.24 0.00 4.57 1.09 -1.26 -1.85 121.20 122.88 3huz s ILE 8 Ca -0.13 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 3huz s ILE 8 Cb 0.10 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 3huz s ILE 8 CO 0.72 0.27 0.00 0.18 -0.10 0.00 0.00 174.94 176.02 3huz n LEU 9 N 4.44 0.10 0.00 2.97 4.77 -1.03 -4.87 117.00 123.39 3huz n LEU 9 Ca -0.10 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 3huz n LEU 9 Cb 0.51 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3huz n LEU 9 CO 0.39 -0.43 -0.01 0.00 -1.33 0.00 0.00 177.39 176.00 3huz n ALA 10 N -2.22 0.07 -2.33 -1.18 0.00 -1.14 -5.02 120.51 108.68 3huz n ALA 10 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 3huz n ALA 10 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.61 3huz n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3huz s PRO 11 N -2.12 2.23 0.00 0.00 0.04 -1.26 -2.24 135.00 131.65 3huz s PRO 11 Ca 0.04 -2.00 0.00 0.00 0.04 0.00 0.00 61.00 59.08 3huz s PRO 11 Cb 0.00 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3huz s PRO 11 CO 0.03 -0.73 0.28 1.33 0.04 0.00 0.00 177.00 177.94 3huz n VAL 12 N -1.91 0.00 -3.24 -0.36 0.24 -0.59 -4.47 118.33 107.99 3huz n VAL 12 Ca 0.02 0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 62.92 3huz n VAL 12 Cb 0.64 -1.20 0.05 0.00 -1.47 0.00 0.00 33.84 31.87 3huz n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3huz n LEU 13 N -0.59 -5.70 -3.68 1.34 4.77 -1.26 -4.96 117.00 106.92 3huz n LEU 13 Ca 0.00 -0.60 -0.04 0.00 -0.03 0.00 0.00 56.01 55.34 3huz n LEU 13 Cb 0.00 -3.18 -0.01 0.00 -2.33 0.00 0.00 43.42 37.89 3huz n LEU 13 CO 0.00 -0.12 0.77 -0.94 -1.33 0.00 0.00 177.39 175.78 3huz s SER 14 N -3.31 -0.19 0.03 -1.43 1.04 -1.26 -5.04 113.70 103.54 3huz s SER 14 Ca 0.37 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 56.28 3huz s SER 14 Cb -0.05 0.41 -0.13 0.00 0.10 0.00 0.00 66.02 66.34 3huz s SER 14 CO 0.75 -0.74 1.31 -0.08 0.98 0.00 0.00 173.24 175.46 3huz h GLU 15 N 2.00 -0.83 -1.01 4.02 4.57 -2.00 -2.15 114.58 119.18 3huz h GLU 15 Ca -0.24 0.06 0.29 0.00 -1.18 0.00 0.00 59.36 58.29 3huz h GLU 15 Cb 1.23 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.97 3huz h GLU 15 CO 0.27 -0.56 0.97 -0.22 -1.18 0.00 0.00 179.01 178.29 3huz h LYS 16 N -0.90 0.00 0.21 1.92 3.64 -2.00 -0.26 116.57 119.19 3huz h LYS 16 Ca -0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3huz h LYS 16 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3huz h LYS 16 CO 0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 179.45 177.22 3huz h ALA 17 N 1.01 -0.28 -0.82 5.00 0.00 -1.86 -3.30 119.26 119.01 3huz h ALA 17 Ca 0.48 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.42 3huz h ALA 17 Cb 2.41 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 20.21 3huz h ALA 17 CO -0.01 -0.28 0.37 1.88 0.00 0.00 0.00 179.25 181.21 3huz h TYR 18 N -1.03 0.63 -0.12 0.00 0.05 -0.42 0.40 116.97 116.48 3huz h TYR 18 Ca -0.03 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.82 3huz h TYR 18 Cb 0.35 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 3huz h TYR 18 CO 0.03 0.09 0.27 0.00 -1.05 0.00 0.00 178.16 177.50 3huz h ALA 19 N 1.58 1.55 0.00 3.88 0.00 -1.52 0.25 119.26 125.01 3huz h ALA 19 Ca 0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 3huz h ALA 19 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3huz h ALA 19 CO -0.41 -0.33 -0.26 0.78 0.00 0.00 0.00 179.25 179.03 3huz h GLY 20 N 0.00 0.00 1.60 0.00 0.00 -0.27 -3.24 103.07 101.16 3huz h GLY 20 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3huz h GLY 20 CO -0.00 0.00 0.13 0.74 0.00 0.00 0.00 176.54 177.41 3huz h PHE 21 N 0.00 0.52 0.00 5.60 0.05 -0.53 -2.32 116.94 120.26 3huz h PHE 21 Ca -0.00 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.77 3huz h PHE 21 Cb 0.95 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.74 3huz h PHE 21 CO 0.00 0.42 0.00 0.00 -0.18 0.00 0.00 178.31 178.55 3huz n ALA 22 N -2.48 1.39 -3.21 2.45 0.00 -1.23 -4.55 120.51 112.88 3huz n ALA 22 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 3huz n ALA 22 Cb 0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 3huz n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3huz s GLU 23 N -1.89 1.60 0.00 0.00 8.01 -0.88 -5.02 118.70 120.53 3huz s GLU 23 Ca 0.00 -1.28 0.00 0.00 0.01 0.00 0.00 54.97 53.70 3huz s GLU 23 Cb 0.00 0.48 0.00 0.00 -4.31 0.00 0.00 34.13 30.30 3huz s GLU 23 CO 0.00 -0.67 0.08 0.41 0.01 0.00 0.00 175.26 175.08 3huz n GLY 24 N -0.40 0.21 3.00 -1.39 0.00 -1.26 -4.62 105.19 100.72 3huz n GLY 24 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3huz n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 25 N 1.08 1.79 -0.09 1.61 1.02 -1.20 0.22 119.74 124.16 3huz s LYS 25 Ca 0.00 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 54.65 3huz s LYS 25 Cb 0.00 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 3huz s LYS 25 CO 0.00 -0.70 -0.22 0.71 -0.92 0.00 0.00 175.35 174.22 3huz s TYR 26 N 1.15 2.56 -0.22 3.18 1.51 0.19 -3.58 117.35 122.15 3huz s TYR 26 Ca -0.02 -0.85 -0.06 0.00 -1.01 0.00 0.00 57.07 55.13 3huz s TYR 26 Cb -0.19 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3huz s TYR 26 CO -0.07 -0.30 0.04 0.95 -1.11 0.00 0.00 175.55 175.06 3huz s THR 27 N 0.13 4.22 -0.03 -0.71 -4.23 -1.26 0.31 115.64 114.07 3huz s THR 27 Ca -0.12 -0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 3huz s THR 27 Cb -0.16 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 3huz s THR 27 CO 0.06 0.40 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.98 3huz s PHE 28 N 1.13 2.50 -0.59 3.99 0.40 0.33 -1.55 117.98 124.19 3huz s PHE 28 Ca 0.03 -0.31 -0.26 0.00 -0.60 0.00 0.00 56.93 55.79 3huz s PHE 28 Cb -0.14 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 3huz s PHE 28 CO 0.02 0.06 2.07 -1.58 0.70 0.00 0.00 175.22 176.49 3huz s TRP 29 N -0.66 1.45 0.70 0.36 0.23 -0.95 -2.25 118.94 117.82 3huz s TRP 29 Ca 0.10 1.08 0.03 0.00 -2.03 0.00 0.00 56.10 55.29 3huz s TRP 29 Cb -0.10 -3.89 0.13 0.00 0.03 0.00 0.00 33.47 29.64 3huz s TRP 29 CO -0.00 -2.33 0.96 1.33 0.96 0.00 0.00 176.95 177.87 3huz n VAL 30 N 7.56 0.00 -2.32 4.03 0.24 -1.10 -2.46 118.33 124.28 3huz n VAL 30 Ca 0.28 -1.73 -0.41 0.00 -2.04 0.00 0.00 64.34 60.43 3huz n VAL 30 Cb 0.53 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 3huz n VAL 30 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3huz s HIS 31 N -3.03 3.37 0.54 6.34 2.46 -0.77 -3.84 115.29 120.35 3huz s HIS 31 Ca 0.66 1.36 0.26 0.00 0.47 0.00 0.00 55.06 57.81 3huz s HIS 31 Cb -0.04 -3.49 1.43 0.00 -0.13 0.00 0.00 32.58 30.35 3huz s HIS 31 CO 0.43 -1.43 2.01 -1.00 -2.47 0.00 0.00 174.74 172.28 3huz h PRO 32 N 5.28 0.00 -0.02 2.88 0.13 -1.92 -2.11 132.00 136.25 3huz h PRO 32 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3huz h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3huz h PRO 32 CO 0.75 0.00 -0.15 1.63 -0.23 0.00 0.00 178.00 180.00 3huz n LYS 33 N -4.24 1.49 -1.67 0.86 4.76 -1.26 -4.86 118.16 113.23 3huz n LYS 33 Ca 0.08 -1.03 -0.33 0.00 -2.87 0.00 0.00 58.31 54.16 3huz n LYS 33 Cb 0.55 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 32.32 3huz n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huz s ALA 34 N -2.22 2.46 0.45 7.82 0.00 -0.80 -5.07 121.76 124.40 3huz s ALA 34 Ca 0.29 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3huz s ALA 34 Cb 0.20 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 3huz s ALA 34 CO 0.42 -1.33 0.66 0.99 0.00 0.00 0.00 175.76 176.50 3huz s THR 35 N -2.49 3.88 0.12 0.00 2.01 -1.26 -4.95 115.64 112.96 3huz s THR 35 Ca 0.65 -0.56 0.18 0.00 0.31 0.00 0.00 61.69 62.27 3huz s THR 35 Cb -0.19 -3.43 0.13 0.00 0.01 0.00 0.00 72.50 69.02 3huz s THR 35 CO 0.44 -0.29 1.69 0.11 -0.69 0.00 0.00 174.62 175.89 3huz h LYS 36 N 0.42 0.00 0.04 4.92 1.79 -1.97 0.54 116.57 122.31 3huz h LYS 36 Ca -0.46 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.82 3huz h LYS 36 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 3huz h LYS 36 CO 0.56 0.39 -1.01 1.15 -1.08 0.00 0.00 179.45 179.47 3huz h THR 37 N 0.00 1.17 0.00 -0.16 2.02 -1.96 -2.83 112.91 111.16 3huz h THR 37 Ca -0.00 -2.30 -0.00 0.00 0.77 0.00 0.00 66.41 64.87 3huz h THR 37 Cb 0.98 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 70.08 3huz h THR 37 CO 0.05 0.53 -0.01 -0.08 0.37 0.00 0.00 175.52 176.38 3huz h GLU 38 N -0.74 0.00 0.18 6.66 4.81 -1.92 -1.76 114.58 121.81 3huz h GLU 38 Ca -0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3huz h GLU 38 Cb 1.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 3huz h GLU 38 CO -0.06 0.01 -0.09 0.82 -0.73 0.00 0.00 179.01 178.97 3huz h ILE 39 N 0.00 0.55 0.00 2.32 1.08 -0.97 -3.31 117.51 117.18 3huz h ILE 39 Ca -0.00 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 3huz h ILE 39 Cb 0.05 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3huz h ILE 39 CO 0.00 0.15 0.00 1.17 -0.69 0.00 0.00 178.15 178.78 3huz n LYS 40 N -4.93 0.00 0.03 2.37 4.81 -0.71 -0.85 118.16 118.88 3huz n LYS 40 Ca -0.06 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 3huz n LYS 40 Cb 0.22 -0.76 0.00 0.00 0.02 0.00 0.00 35.03 34.51 3huz n LYS 40 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3huz n ASN 41 N -0.48 0.00 -0.03 3.14 5.03 -0.94 -0.55 115.26 121.43 3huz n ASN 41 Ca 0.00 0.04 -0.03 0.00 0.87 0.00 0.00 54.58 55.46 3huz n ASN 41 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 3huz n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3huz n ALA 42 N -0.81 0.58 -0.29 5.41 0.00 -0.59 -3.90 120.51 120.91 3huz n ALA 42 Ca 0.00 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.16 3huz n ALA 42 Cb 0.42 0.02 0.27 0.00 0.00 0.00 0.00 19.45 20.16 3huz n ALA 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3huz h VAL 43 N -0.30 0.32 -0.53 0.00 2.07 0.12 1.26 116.25 119.19 3huz h VAL 43 Ca 0.00 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3huz h VAL 43 Cb 0.30 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 3huz h VAL 43 CO 0.00 0.04 0.14 -0.08 0.02 0.00 0.00 177.57 177.69 3huz h GLU 44 N 0.20 0.29 -0.96 1.57 4.81 -1.08 -0.78 114.58 118.63 3huz h GLU 44 Ca 0.53 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 59.12 3huz h GLU 44 Cb 1.06 -0.06 -0.30 0.00 0.63 0.00 0.00 28.75 30.08 3huz h GLU 44 CO -0.66 0.19 0.65 0.25 -0.73 0.00 0.00 179.01 178.72 3huz n THR 45 N -5.07 3.44 0.00 0.32 -2.24 0.39 -1.37 114.28 109.76 3huz n THR 45 Ca 0.06 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.92 3huz n THR 45 Cb 0.25 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 3huz n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huz n ALA 46 N -0.93 1.94 0.00 6.98 0.00 0.13 -4.77 120.51 123.86 3huz n ALA 46 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3huz n ALA 46 Cb 0.83 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.58 3huz n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3huz n PHE 47 N -2.04 0.00 -2.83 0.00 3.01 -0.78 -5.05 117.46 109.77 3huz n PHE 47 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 3huz n PHE 47 Cb 0.33 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.80 3huz n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3huz n LYS 48 N -1.00 -2.78 -3.64 -1.08 5.02 -0.47 -4.96 118.16 109.25 3huz n LYS 48 Ca 0.00 2.34 -0.06 0.00 -2.02 0.00 0.00 58.31 58.57 3huz n LYS 48 Cb 0.00 -4.38 -0.07 0.00 -0.02 0.00 0.00 35.03 30.56 3huz n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3huz s VAL 49 N -1.49 0.00 0.35 -0.18 -7.23 -1.15 -5.04 120.40 105.66 3huz s VAL 49 Ca -0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.88 3huz s VAL 49 Cb 0.00 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.83 3huz s VAL 49 CO 0.61 0.00 1.36 -0.75 -0.31 0.00 0.00 175.10 176.01 3huz s LYS 50 N 0.91 4.28 -0.05 4.82 2.20 -1.26 -4.47 119.74 126.17 3huz s LYS 50 Ca -0.04 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 3huz s LYS 50 Cb -0.04 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3huz s LYS 50 CO -0.11 -0.30 -0.02 0.08 -0.36 0.00 0.00 175.35 174.64 3huz s VAL 51 N -1.13 4.05 -0.02 4.02 1.01 -1.26 0.28 120.40 127.35 3huz s VAL 51 Ca 0.50 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3huz s VAL 51 Cb -0.42 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 3huz s VAL 51 CO 0.56 0.53 0.10 0.52 0.00 0.00 0.00 175.10 176.81 3huz n VAL 52 N 1.92 0.09 -3.67 2.92 0.31 0.18 -4.75 118.33 115.33 3huz n VAL 52 Ca -0.17 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 63.92 3huz n VAL 52 Cb 0.53 0.07 -0.09 0.00 -0.91 0.00 0.00 33.84 33.44 3huz n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3huz s LYS 53 N -2.34 0.41 -0.14 5.55 2.20 -1.11 -4.97 119.74 119.34 3huz s LYS 53 Ca -0.02 1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 3huz s LYS 53 Cb 0.03 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3huz s LYS 53 CO 0.24 -0.21 -0.11 0.08 -0.36 0.00 0.00 175.35 174.99 3huz s VAL 54 N 2.16 3.18 -0.08 4.02 1.01 -1.26 0.12 120.40 129.55 3huz s VAL 54 Ca -0.05 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3huz s VAL 54 Cb -0.10 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3huz s VAL 54 CO -0.14 0.51 -0.17 0.20 0.00 0.00 0.00 175.10 175.50 3huz s ASN 55 N 0.43 2.29 0.25 3.32 0.02 -0.96 -4.99 114.94 115.31 3huz s ASN 55 Ca -0.09 -0.40 0.02 0.00 -1.02 0.00 0.00 52.86 51.37 3huz s ASN 55 Cb -0.16 -1.06 0.02 0.00 0.02 0.00 0.00 41.25 40.08 3huz s ASN 55 CO 0.05 0.08 0.20 0.35 0.02 0.00 0.00 177.10 177.80 3huz n THR 56 N 3.70 0.00 0.00 1.60 -2.24 -1.26 -2.00 114.28 114.08 3huz n THR 56 Ca -0.21 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 3huz n THR 56 Cb 0.52 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3huz n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huz n LEU 57 N 0.00 0.00 -4.99 3.22 -0.00 -1.11 -4.96 117.00 109.16 3huz n LEU 57 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.79 3huz n LEU 57 Cb 0.28 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.77 3huz n LEU 57 CO 0.17 0.00 0.41 -1.00 -0.00 0.00 0.00 177.39 176.97 3huz s HIS 58 N -0.76 2.16 -0.24 1.47 3.76 -1.26 -2.06 115.29 118.37 3huz s HIS 58 Ca 0.00 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.62 3huz s HIS 58 Cb 0.00 -2.73 0.09 0.00 1.11 0.00 0.00 32.58 31.05 3huz s HIS 58 CO 0.00 -1.19 0.16 0.08 -0.85 0.00 0.00 174.74 172.94 3huz s VAL 59 N -2.85 -0.18 -0.19 -0.90 1.01 0.13 -4.92 120.40 112.49 3huz s VAL 59 Ca 0.61 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 3huz s VAL 59 Cb -0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 3huz s VAL 59 CO 0.40 -0.44 2.17 -1.14 0.00 0.00 0.00 175.10 176.10 3huz n ARG 60 N 5.28 1.99 -1.32 2.72 0.63 -1.26 -1.72 116.66 122.98 3huz n ARG 60 Ca -0.06 0.59 -0.38 0.00 -0.92 0.00 0.00 57.85 57.08 3huz n ARG 60 Cb 0.46 -3.10 0.04 0.00 0.45 0.00 0.00 32.46 30.32 3huz n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huz n GLY 61 N 5.64 -2.23 3.85 5.14 0.00 -1.25 -4.94 105.19 111.40 3huz n GLY 61 Ca 0.30 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3huz n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 62 N -1.93 1.23 -0.26 1.61 1.02 -1.26 -4.71 119.74 115.44 3huz s LYS 62 Ca 0.62 0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 3huz s LYS 62 Cb -0.42 -1.87 0.04 0.00 -0.52 0.00 0.00 37.83 35.06 3huz s LYS 62 CO 0.61 -2.09 -0.07 -1.59 -0.92 0.00 0.00 175.35 171.29 3huz s LYS 63 N -5.53 2.66 0.19 1.68 -2.85 -1.26 -0.12 119.74 114.51 3huz s LYS 63 Ca 0.66 -1.09 0.04 0.00 -1.00 0.00 0.00 55.97 54.57 3huz s LYS 63 Cb -0.11 -2.98 -0.03 0.00 -2.06 0.00 0.00 37.83 32.65 3huz s LYS 63 CO 0.52 -0.46 0.28 0.21 0.10 0.00 0.00 175.35 176.00 3huz s LYS 64 N 1.27 3.32 -0.34 1.78 2.20 -0.81 -4.90 119.74 122.26 3huz s LYS 64 Ca -0.02 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 3huz s LYS 64 Cb -0.18 -2.86 0.12 0.00 -1.51 0.00 0.00 37.83 33.41 3huz s LYS 64 CO -0.04 0.48 0.18 0.50 -0.36 0.00 0.00 175.35 176.10 3huz s ARG 65 N -3.52 0.54 -0.67 4.03 3.52 -1.26 -0.02 118.95 121.56 3huz s ARG 65 Ca 0.34 -1.14 -0.27 0.00 -0.13 0.00 0.00 55.73 54.53 3huz s ARG 65 Cb -0.10 -1.45 0.02 0.00 -1.56 0.00 0.00 34.95 31.86 3huz s ARG 65 CO 0.28 -1.12 1.44 -1.17 -0.81 0.00 0.00 175.30 173.91 3huz s LEU 66 N 1.36 3.24 0.00 -0.88 0.20 -0.65 -4.79 118.68 117.16 3huz s LEU 66 Ca 0.14 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 54.84 3huz s LEU 66 Cb -0.20 -2.66 0.00 0.00 -0.43 0.00 0.00 46.19 42.90 3huz s LEU 66 CO -0.13 -1.93 0.00 0.61 -0.29 0.00 0.00 176.35 174.60 3huz n GLY 67 N 5.42 2.88 0.81 7.98 0.00 -1.26 -2.49 105.19 118.53 3huz n GLY 67 Ca 0.09 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3huz n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3huz n ARG 68 N 12.77 2.11 -3.58 1.61 -4.01 -1.26 -4.90 116.66 119.40 3huz n ARG 68 Ca 0.00 -1.63 -0.37 0.00 -1.04 0.00 0.00 57.85 54.81 3huz n ARG 68 Cb 0.00 -1.47 -0.07 0.00 -3.04 0.00 0.00 32.46 27.89 3huz n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3huz s TYR 69 N -1.93 3.56 -0.08 2.89 1.51 -1.04 -5.09 117.35 117.17 3huz s TYR 69 Ca 0.32 0.70 0.02 0.00 -1.01 0.00 0.00 57.07 57.11 3huz s TYR 69 Cb 0.20 -2.27 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3huz s TYR 69 CO 0.31 0.43 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.86 3huz s LEU 70 N -0.19 2.64 0.00 -1.29 0.20 -1.26 -1.64 118.68 117.14 3huz s LEU 70 Ca 0.19 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.71 3huz s LEU 70 Cb -0.14 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 3huz s LEU 70 CO 0.07 0.26 0.00 0.61 -0.29 0.00 0.00 176.35 176.99 3huz n GLY 71 N 2.90 3.15 3.15 7.98 0.00 0.97 -4.99 105.19 118.35 3huz n GLY 71 Ca -0.18 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 3huz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 72 N -1.50 0.27 1.18 1.61 3.01 -1.26 -1.92 119.74 121.14 3huz s LYS 72 Ca 0.00 0.77 -0.13 0.00 -1.01 0.00 0.00 55.97 55.59 3huz s LYS 72 Cb 0.00 0.03 0.28 0.00 -1.01 0.00 0.00 37.83 37.12 3huz s LYS 72 CO 0.00 -0.21 0.91 0.54 0.51 0.00 0.00 175.35 177.10 3huz n ARG 73 N 4.77 -2.47 -2.44 1.68 1.74 0.83 -4.92 116.66 115.86 3huz n ARG 73 Ca -0.16 -0.69 -0.37 0.00 -0.77 0.00 0.00 57.85 55.86 3huz n ARG 73 Cb 0.52 -2.12 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 3huz n ARG 73 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3huz s PRO 74 N -4.30 4.04 0.75 5.56 0.04 -1.26 -4.41 135.00 135.43 3huz s PRO 74 Ca 0.67 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 3huz s PRO 74 Cb -0.24 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.82 3huz s PRO 74 CO 0.66 -0.28 1.09 -0.51 0.04 0.00 0.00 177.00 178.00 3huz s ASP 75 N -1.46 4.68 0.10 6.66 1.11 -1.26 -3.80 116.67 122.69 3huz s ASP 75 Ca 0.59 1.80 -0.04 0.00 0.18 0.00 0.00 52.55 55.08 3huz s ASP 75 Cb -0.25 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.20 3huz s ASP 75 CO 0.31 -1.91 0.10 -0.13 1.18 0.00 0.00 175.17 174.71 3huz s ARG 76 N -4.87 0.83 0.44 8.23 3.00 -0.70 -4.81 118.95 121.06 3huz s ARG 76 Ca 0.61 -1.19 0.06 0.00 0.00 0.00 0.00 55.73 55.21 3huz s ARG 76 Cb -0.17 0.28 -0.05 0.00 0.00 0.00 0.00 34.95 35.01 3huz s ARG 76 CO 0.55 -0.23 0.12 0.21 0.00 0.00 0.00 175.30 175.94 3huz s LYS 77 N -3.94 2.14 -0.28 3.54 2.20 -1.25 0.23 119.74 122.37 3huz s LYS 77 Ca 0.12 -2.02 -0.24 0.00 -0.36 0.00 0.00 55.97 53.47 3huz s LYS 77 Cb 0.06 -1.82 0.12 0.00 -1.51 0.00 0.00 37.83 34.69 3huz s LYS 77 CO -0.06 -0.17 1.02 -1.59 -0.36 0.00 0.00 175.35 174.19 3huz s LYS 78 N -3.87 0.50 0.07 4.03 -2.85 -0.87 -2.70 119.74 114.05 3huz s LYS 78 Ca 0.34 0.62 0.08 0.00 -1.00 0.00 0.00 55.97 56.00 3huz s LYS 78 Cb 0.05 0.23 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 3huz s LYS 78 CO 0.18 -0.06 -0.20 0.00 0.10 0.00 0.00 175.35 175.36 3huz s ALA 79 N 0.37 1.74 -0.06 0.59 0.00 -0.95 -2.74 121.76 120.69 3huz s ALA 79 Ca 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.87 3huz s ALA 79 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3huz s ALA 79 CO -0.07 0.36 -0.15 0.96 0.00 0.00 0.00 175.76 176.86 3huz s ILE 80 N -1.00 2.97 -0.11 0.00 -0.00 -0.85 0.12 121.20 122.33 3huz s ILE 80 Ca 0.06 -0.74 -0.03 0.00 -0.00 0.00 0.00 60.65 59.94 3huz s ILE 80 Cb -0.09 -2.17 -0.03 0.00 -0.00 0.00 0.00 42.46 40.16 3huz s ILE 80 CO 0.03 0.58 -0.01 0.68 -0.00 0.00 0.00 174.94 176.22 3huz s VAL 81 N -0.49 4.19 -1.07 8.37 -7.23 0.91 -2.27 120.40 122.81 3huz s VAL 81 Ca 0.06 -0.28 -0.10 0.00 -1.81 0.00 0.00 61.98 59.85 3huz s VAL 81 Cb -0.12 -2.79 0.27 0.00 0.56 0.00 0.00 36.38 34.30 3huz s VAL 81 CO 0.02 0.56 1.07 -1.58 -0.31 0.00 0.00 175.10 174.86 3huz s GLN 82 N -0.43 4.11 0.26 4.82 2.00 0.33 -0.64 119.66 130.11 3huz s GLN 82 Ca 0.08 -3.08 -0.31 0.00 -2.00 0.00 0.00 55.36 50.05 3huz s GLN 82 Cb -0.12 -4.56 -0.11 0.00 0.80 0.00 0.00 33.01 29.02 3huz s GLN 82 CO 0.02 -1.27 1.62 0.14 -0.50 0.00 0.00 175.29 175.30 3huz s VAL 83 N -0.95 2.13 0.71 1.34 -7.23 0.59 0.47 120.40 117.47 3huz s VAL 83 Ca 0.29 0.10 -0.14 0.00 -1.81 0.00 0.00 61.98 60.42 3huz s VAL 83 Cb -0.10 -3.07 -0.12 0.00 0.56 0.00 0.00 36.38 33.65 3huz s VAL 83 CO -0.08 0.01 -0.52 0.00 -0.31 0.00 0.00 175.10 174.20 3huz n ALA 84 N 2.77 -4.42 -1.74 1.32 0.00 0.14 -4.49 120.51 114.09 3huz n ALA 84 Ca 0.10 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3huz n ALA 84 Cb 0.37 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 3huz n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3huz s PRO 85 N -1.43 4.14 0.00 0.00 0.04 -1.26 -2.42 135.00 134.08 3huz s PRO 85 Ca 0.36 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.96 3huz s PRO 85 Cb -0.21 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.74 3huz s PRO 85 CO 0.64 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 177.26 3huz n GLY 86 N 4.21 0.55 2.60 0.56 0.00 -1.26 -5.07 105.19 106.78 3huz n GLY 86 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3huz n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3huz n GLN 87 N -2.00 0.78 -3.56 1.61 6.02 -1.01 -5.14 117.38 114.07 3huz n GLN 87 Ca 0.00 -2.14 -0.07 0.00 -0.01 0.00 0.00 57.00 54.78 3huz n GLN 87 Cb 0.00 -0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.15 3huz n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3huz s LYS 88 N -3.71 0.53 -0.08 -1.09 -2.85 -1.26 -4.82 119.74 106.47 3huz s LYS 88 Ca 0.37 -0.09 -0.07 0.00 -1.00 0.00 0.00 55.97 55.18 3huz s LYS 88 Cb -0.03 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 3huz s LYS 88 CO 0.23 -0.21 0.19 0.42 0.10 0.00 0.00 175.35 176.08 3huz s ILE 89 N -2.15 5.43 -0.21 3.79 1.01 -1.26 -4.99 121.20 122.81 3huz s ILE 89 Ca 0.05 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.72 3huz s ILE 89 Cb -0.01 -3.47 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 3huz s ILE 89 CO -0.05 0.54 0.06 -0.62 0.00 0.00 0.00 174.94 174.87 3huz n GLU 90 N 1.71 0.56 -0.33 2.79 -0.58 -1.26 -3.06 120.64 120.47 3huz n GLU 90 Ca -0.17 0.51 0.35 0.00 -0.42 0.00 0.00 57.16 57.43 3huz n GLU 90 Cb 0.54 -1.69 0.63 0.00 -0.57 0.00 0.00 31.44 30.35 3huz n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huz h ALA 91 N -0.65 3.15 0.00 0.62 0.00 -1.98 0.55 119.26 120.96 3huz h ALA 91 Ca -0.37 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 3huz h ALA 91 Cb 1.28 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 3huz h ALA 91 CO -0.23 -1.79 -2.25 1.28 0.00 0.00 0.00 179.25 176.26 3huz n LEU 92 N -3.62 0.07 -0.94 0.00 4.77 -1.26 -4.45 117.00 111.58 3huz n LEU 92 Ca 0.28 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3huz n LEU 92 Cb 1.53 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 43.00 3huz n LEU 92 CO 0.32 0.39 0.10 -0.62 -1.33 0.00 0.00 177.39 176.26 3huz n GLU 93 N -2.68 0.22 -0.08 3.23 -0.58 0.19 -3.22 120.64 117.72 3huz n GLU 93 Ca -0.26 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.39 3huz n GLU 93 Cb 1.04 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 30.52 3huz n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huz n GLY 94 N 0.83 -0.81 0.00 0.62 0.00 -1.25 -5.05 105.19 99.52 3huz n GLY 94 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3huz n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22