#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hnx s ILE 4 N 0.00 4.14 -0.57 -0.18 1.01 -0.21 -4.39 121.20 121.00 1hnx s ILE 4 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 1hnx s ILE 4 Cb 0.00 -3.30 0.06 0.00 0.01 0.00 0.00 42.46 39.23 1hnx s ILE 4 CO 0.00 -0.16 0.82 -0.60 0.00 0.00 0.00 174.94 175.00 1hnx s ARG 5 N 1.48 3.18 0.20 2.79 3.52 -1.22 -2.46 118.95 126.43 1hnx s ARG 5 Ca 0.00 -0.71 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1hnx s ARG 5 Cb -0.19 -4.13 -0.07 0.00 -1.56 0.00 0.00 34.95 29.00 1hnx s ARG 5 CO 0.04 -1.49 0.50 0.42 -0.81 0.00 0.00 175.30 173.97 1hnx s ILE 6 N 3.44 4.99 -0.29 4.11 1.01 -1.25 -1.71 121.20 131.50 1hnx s ILE 6 Ca 0.22 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 1hnx s ILE 6 Cb -0.17 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.81 1hnx s ILE 6 CO 0.13 -0.02 0.28 -0.75 0.00 0.00 0.00 174.94 174.58 1hnx s LYS 7 N -2.71 0.31 0.06 2.79 2.20 0.90 -4.34 119.74 118.96 1hnx s LYS 7 Ca 0.45 -0.20 -0.23 0.00 -0.36 0.00 0.00 55.97 55.63 1hnx s LYS 7 Cb -0.12 -0.72 -0.06 0.00 -1.51 0.00 0.00 37.83 35.43 1hnx s LYS 7 CO 0.22 -1.03 0.68 -0.51 -0.36 0.00 0.00 175.35 174.34 1hnx s LEU 8 N 2.32 4.48 -0.11 5.43 1.43 -0.69 -2.55 118.68 128.99 1hnx s LEU 8 Ca 0.09 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.52 1hnx s LEU 8 Cb -0.14 -3.09 0.05 0.00 0.03 0.00 0.00 46.19 43.04 1hnx s LEU 8 CO -0.33 0.13 0.06 0.00 0.23 0.00 0.00 176.35 176.44 1hnx s ARG 9 N -0.50 0.12 0.35 1.70 1.70 -1.15 -0.37 118.95 120.81 1hnx s ARG 9 Ca 0.34 0.09 0.05 0.00 -0.47 0.00 0.00 55.73 55.74 1hnx s ARG 9 Cb -0.20 -1.26 -0.03 0.00 -0.57 0.00 0.00 34.95 32.89 1hnx s ARG 9 CO 0.21 -0.50 0.20 0.20 -1.08 0.00 0.00 175.30 174.33 1hnx s GLY 10 N 2.11 2.38 -0.22 3.88 0.00 -1.15 -3.46 107.32 110.87 1hnx s GLY 10 Ca 0.03 -1.68 0.12 0.00 0.00 0.00 0.00 44.72 43.19 1hnx s GLY 10 CO -0.06 -1.63 -0.03 0.69 0.00 0.00 0.00 173.10 172.07 1hnx n PHE 11 N -0.72 0.01 -3.13 1.90 0.99 -1.26 -0.74 117.46 114.52 1hnx n PHE 11 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.06 1hnx n PHE 11 Cb 0.64 -1.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.05 1hnx n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1hnx s ASP 12 N -5.87 6.52 0.00 4.37 -1.08 -1.26 -4.79 116.67 114.57 1hnx s ASP 12 Ca -0.19 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1hnx s ASP 12 Cb 0.07 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1hnx s ASP 12 CO 0.75 -0.41 0.13 0.00 0.52 0.00 0.00 175.17 176.16 1hnx n HIS 13 N 5.76 0.00 0.00 -5.34 1.44 -1.26 -1.29 115.22 114.53 1hnx n HIS 13 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1hnx n HIS 13 Cb 0.49 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1hnx n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1hnx n LYS 14 N -0.16 1.77 0.10 -1.40 5.02 -1.26 -4.39 118.16 117.85 1hnx n LYS 14 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1hnx n LYS 14 Cb 0.02 -0.77 0.46 0.00 -0.02 0.00 0.00 35.03 34.71 1hnx n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hnx h THR 15 N 0.00 1.11 0.05 -0.18 1.03 -1.60 0.28 112.91 113.59 1hnx h THR 15 Ca 0.00 -0.36 -0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1hnx h THR 15 Cb 0.55 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 1hnx h THR 15 CO 0.00 0.13 -0.02 -0.07 -0.01 0.00 0.00 175.52 175.54 1hnx h LEU 16 N 0.31 -0.06 -0.93 0.00 3.38 -1.79 -2.98 115.31 113.24 1hnx h LEU 16 Ca 0.08 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.32 1hnx h LEU 16 Cb 0.11 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 1hnx h LEU 16 CO -0.00 0.41 0.31 0.44 0.09 0.00 0.00 178.44 179.68 1hnx h ASP 17 N -0.97 0.08 0.18 -0.43 3.32 -1.73 0.22 116.42 117.09 1hnx h ASP 17 Ca -0.01 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1hnx h ASP 17 Cb 0.05 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1hnx h ASP 17 CO 0.01 -0.20 -0.30 0.00 -1.72 0.00 0.00 179.24 177.04 1hnx h ALA 18 N 1.84 -0.90 -0.08 3.45 0.00 -0.55 0.19 119.26 123.21 1hnx h ALA 18 Ca 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.45 1hnx h ALA 18 Cb 1.33 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1hnx h ALA 18 CO -0.68 -0.95 -0.13 1.03 0.00 0.00 0.00 179.25 178.52 1hnx h SER 19 N -0.51 -0.44 -0.50 0.00 0.87 -0.51 -1.69 113.55 110.78 1hnx h SER 19 Ca -0.02 0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1hnx h SER 19 Cb 0.48 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.52 1hnx h SER 19 CO -0.10 -0.10 -0.13 0.00 -0.53 0.00 0.00 176.83 175.97 1hnx h ALA 20 N -1.05 0.33 -0.01 6.23 0.00 -0.96 0.35 119.26 124.15 1hnx h ALA 20 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1hnx h ALA 20 Cb 0.15 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1hnx h ALA 20 CO -0.13 -0.44 0.13 0.37 0.00 0.00 0.00 179.25 179.18 1hnx h GLN 21 N -0.00 0.00 0.00 0.00 4.15 -0.28 0.63 115.11 119.61 1hnx h GLN 21 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1hnx h GLN 21 Cb 0.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 1hnx h GLN 21 CO -0.52 0.00 -0.24 0.87 -1.93 0.00 0.00 178.83 177.01 1hnx h LYS 22 N 0.00 0.00 0.00 1.69 1.57 0.51 -2.84 116.57 117.50 1hnx h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hnx h LYS 22 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1hnx h LYS 22 CO -0.00 0.20 0.32 0.82 -0.57 0.00 0.00 179.45 180.22 1hnx h ILE 23 N -1.00 0.00 0.00 1.86 5.03 0.43 -1.70 117.51 122.13 1hnx h ILE 23 Ca -0.03 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.66 1hnx h ILE 23 Cb 0.37 0.54 -0.01 0.00 -3.03 0.00 0.00 36.82 34.70 1hnx h ILE 23 CO -0.02 0.00 -0.64 0.58 -0.68 0.00 0.00 178.15 177.40 1hnx h VAL 24 N 0.00 0.23 -0.61 1.67 2.07 0.12 -3.31 116.25 116.42 1hnx h VAL 24 Ca 0.00 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.36 1hnx h VAL 24 Cb 0.63 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1hnx h VAL 24 CO 0.00 0.08 0.42 -0.33 0.02 0.00 0.00 177.57 177.75 1hnx h GLU 25 N -1.00 0.29 0.00 1.57 5.08 -1.19 -1.60 114.58 117.72 1hnx h GLU 25 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1hnx h GLU 25 Cb 0.66 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1hnx h GLU 25 CO -0.05 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 1hnx n ALA 26 N -2.55 -0.12 0.24 3.43 0.00 -0.68 -3.25 120.51 117.58 1hnx n ALA 26 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1hnx n ALA 26 Cb 0.47 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.44 1hnx n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hnx h ALA 27 N -2.00 1.83 0.00 0.00 0.00 -1.64 -0.36 119.26 117.09 1hnx h ALA 27 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hnx h ALA 27 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hnx h ALA 27 CO 0.00 -0.74 0.00 0.54 0.00 0.00 0.00 179.25 179.05 1hnx n ARG 28 N -2.93 0.32 -2.57 0.00 1.74 -0.61 -1.49 116.66 111.12 1hnx n ARG 28 Ca 0.03 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1hnx n ARG 28 Cb 0.73 -1.11 0.08 0.00 -1.02 0.00 0.00 32.46 31.14 1hnx n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hnx n ARG 29 N 0.08 1.36 0.00 5.56 1.74 -0.15 -4.90 116.66 120.35 1hnx n ARG 29 Ca 0.00 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 1hnx n ARG 29 Cb 0.06 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 1hnx n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1hnx n SER 30 N -0.98 0.00 0.00 0.55 3.41 -0.55 -4.88 113.62 111.17 1hnx n SER 30 Ca -0.08 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1hnx n SER 30 Cb 0.85 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1hnx n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hnx n GLY 31 N 0.00 4.14 0.00 5.00 0.00 -1.00 -3.64 105.19 109.68 1hnx n GLY 31 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1hnx n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hnx n ALA 32 N -3.00 0.00 -0.71 4.61 0.00 -0.71 -4.92 120.51 115.77 1hnx n ALA 32 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1hnx n ALA 32 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 1hnx n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1hnx n GLN 33 N -0.07 3.61 -1.30 0.00 7.27 -1.26 -4.62 117.38 121.01 1hnx n GLN 33 Ca 0.00 -2.81 0.00 0.00 0.07 0.00 0.00 57.00 54.26 1hnx n GLN 33 Cb 0.00 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1hnx n GLN 33 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1hnx n VAL 34 N 0.50 -4.53 1.21 1.69 0.31 -1.26 -4.55 118.33 111.70 1hnx n VAL 34 Ca 0.23 1.96 0.00 0.00 -0.01 0.00 0.00 64.34 66.52 1hnx n VAL 34 Cb 0.88 -2.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 1hnx n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1hnx n SER 35 N -0.86 0.64 -1.38 4.52 7.64 0.49 -4.95 113.62 119.73 1hnx n SER 35 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1hnx n SER 35 Cb 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1hnx n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hnx n GLY 36 N 0.16 -4.60 3.63 0.23 0.00 -1.26 -4.72 105.19 98.62 1hnx n GLY 36 Ca 0.00 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 44.97 1hnx n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hnx n PRO 37 N 0.21 1.61 -4.52 1.61 -0.04 -1.26 -4.13 135.00 128.48 1hnx n PRO 37 Ca 0.00 0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 1hnx n PRO 37 Cb 0.00 -2.18 -0.13 0.00 -0.04 0.00 0.00 33.50 31.16 1hnx n PRO 37 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1hnx s ILE 38 N 0.04 3.68 0.00 0.52 -4.36 -1.26 -4.78 121.20 115.04 1hnx s ILE 38 Ca 0.73 -0.44 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 1hnx s ILE 38 Cb -0.76 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.36 1hnx s ILE 38 CO 0.49 0.51 0.87 -0.81 0.24 0.00 0.00 174.94 176.24 1hnx n PRO 39 N 3.38 0.00 -1.24 0.37 -0.04 -1.26 -1.95 135.00 134.26 1hnx n PRO 39 Ca -0.18 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1hnx n PRO 39 Cb 0.53 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1hnx n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hnx n LEU 40 N -2.31 -3.91 -4.51 1.53 4.77 -1.26 -3.68 117.00 107.62 1hnx n LEU 40 Ca 0.00 1.52 -0.43 0.00 -0.03 0.00 0.00 56.01 57.07 1hnx n LEU 40 Cb 0.00 -2.01 -0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1hnx n LEU 40 CO 0.00 -0.84 0.29 -0.81 -1.33 0.00 0.00 177.39 174.70 1hnx n PRO 41 N 0.89 0.85 -3.47 3.23 -0.04 -1.26 -4.23 135.00 130.97 1hnx n PRO 41 Ca 0.00 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 1hnx n PRO 41 Cb 0.00 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 1hnx n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1hnx s THR 42 N -1.24 5.01 -0.27 0.52 2.01 -1.26 -4.59 115.64 115.82 1hnx s THR 42 Ca 0.62 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.90 1hnx s THR 42 Cb -0.67 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.24 1hnx s THR 42 CO 0.58 -0.10 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.22 1hnx s ARG 43 N -2.93 2.42 0.03 4.92 0.52 -0.75 -4.98 118.95 118.18 1hnx s ARG 43 Ca 0.45 -1.25 -0.15 0.00 -0.52 0.00 0.00 55.73 54.27 1hnx s ARG 43 Cb -0.11 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.30 1hnx s ARG 43 CO 0.24 -0.55 0.43 0.08 0.02 0.00 0.00 175.30 175.52 1hnx s VAL 44 N 1.19 4.99 -0.11 3.52 1.01 -1.26 -1.80 120.40 127.94 1hnx s VAL 44 Ca -0.06 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1hnx s VAL 44 Cb -0.19 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1hnx s VAL 44 CO -0.04 0.52 -0.16 -0.13 0.00 0.00 0.00 175.10 175.29 1hnx s ARG 45 N -1.23 3.19 0.13 2.72 1.81 -0.59 -4.95 118.95 120.03 1hnx s ARG 45 Ca 0.26 -0.75 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 1hnx s ARG 45 Cb -0.17 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 1hnx s ARG 45 CO 0.15 0.25 0.02 1.03 -0.68 0.00 0.00 175.30 176.06 1hnx s ARG 46 N 0.24 2.54 -0.39 3.54 1.81 -1.26 -0.91 118.95 124.52 1hnx s ARG 46 Ca -0.11 -0.94 0.08 0.00 -1.72 0.00 0.00 55.73 53.04 1hnx s ARG 46 Cb -0.16 -2.49 0.25 0.00 -0.45 0.00 0.00 34.95 32.10 1hnx s ARG 46 CO 0.06 0.50 0.53 1.19 -0.68 0.00 0.00 175.30 176.91 1hnx n PHE 47 N 0.20 -0.48 -1.94 -0.53 3.01 0.11 -4.96 117.46 112.87 1hnx n PHE 47 Ca -0.10 -3.49 -0.42 0.00 1.01 0.00 0.00 57.45 54.44 1hnx n PHE 47 Cb 0.53 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 1hnx n PHE 47 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1hnx s THR 48 N -1.11 3.38 0.01 4.37 2.01 -1.26 -3.89 115.64 119.14 1hnx s THR 48 Ca 0.35 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.93 1hnx s THR 48 Cb 0.17 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1hnx s THR 48 CO -0.12 -0.04 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.00 1hnx s VAL 49 N 3.78 0.68 0.22 3.82 1.01 -1.12 -5.00 120.40 123.79 1hnx s VAL 49 Ca 0.76 -0.56 -0.32 0.00 0.00 0.00 0.00 61.98 61.86 1hnx s VAL 49 Cb -0.36 -0.61 -0.12 0.00 0.00 0.00 0.00 36.38 35.29 1hnx s VAL 49 CO 0.32 0.06 1.70 -0.38 0.00 0.00 0.00 175.10 176.80 1hnx n ILE 50 N 2.50 0.16 0.00 2.22 5.41 -1.26 -2.78 119.36 125.61 1hnx n ILE 50 Ca -0.15 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1hnx n ILE 50 Cb 0.56 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 1hnx n ILE 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1hnx n ARG 51 N 3.66 0.00 -1.80 0.38 1.74 -1.18 -4.61 116.66 114.85 1hnx n ARG 51 Ca 0.15 0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 57.04 1hnx n ARG 51 Cb 0.35 -1.07 0.21 0.00 -1.02 0.00 0.00 32.46 30.92 1hnx n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hnx n GLY 52 N -0.60 -1.62 4.01 -0.13 0.00 -1.26 -4.97 105.19 100.62 1hnx n GLY 52 Ca 0.00 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 1hnx n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hnx s PRO 53 N -5.84 2.75 -0.06 1.61 0.04 -1.26 -4.90 135.00 127.34 1hnx s PRO 53 Ca 0.74 -1.20 -0.04 0.00 0.04 0.00 0.00 61.00 60.54 1hnx s PRO 53 Cb -0.02 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.82 1hnx s PRO 53 CO 0.52 -0.37 0.08 0.34 0.04 0.00 0.00 177.00 177.61 1hnx n PHE 54 N -1.95 -2.02 -1.45 0.56 7.35 -1.26 -4.85 117.46 113.84 1hnx n PHE 54 Ca 0.08 1.19 0.19 0.00 -0.76 0.00 0.00 57.45 58.15 1hnx n PHE 54 Cb 0.59 -2.28 -0.06 0.00 0.35 0.00 0.00 39.48 38.09 1hnx n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1hnx n LYS 55 N 2.12 -3.02 -0.55 -4.13 2.85 -1.26 -4.97 118.16 109.20 1hnx n LYS 55 Ca -0.14 2.12 0.00 0.00 -1.05 0.00 0.00 58.31 59.24 1hnx n LYS 55 Cb 0.22 -3.64 0.00 0.00 -0.65 0.00 0.00 35.03 30.96 1hnx n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1hnx n HIS 56 N -4.28 0.00 -0.01 5.58 8.25 -1.26 -4.87 115.22 118.63 1hnx n HIS 56 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 1hnx n HIS 56 Cb 0.67 -0.28 0.05 0.00 1.12 0.00 0.00 29.99 31.55 1hnx n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1hnx n LYS 57 N -1.55 0.00 -0.68 -0.41 2.85 -1.26 0.79 118.16 117.90 1hnx n LYS 57 Ca 0.00 0.14 0.08 0.00 -1.05 0.00 0.00 58.31 57.48 1hnx n LYS 57 Cb 0.10 -0.34 0.35 0.00 -0.65 0.00 0.00 35.03 34.49 1hnx n LYS 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1hnx n ASP 58 N -1.38 4.94 0.00 -5.58 8.00 -1.26 -4.74 116.55 116.54 1hnx n ASP 58 Ca 0.02 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1hnx n ASP 58 Cb 0.19 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1hnx n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hnx n SER 59 N 0.66 0.00 -0.15 -2.24 7.64 0.24 -4.98 113.62 114.77 1hnx n SER 59 Ca 0.25 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1hnx n SER 59 Cb 0.99 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1hnx n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hnx n ARG 60 N -0.41 0.00 0.00 1.43 3.00 -1.12 -4.58 116.66 114.98 1hnx n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1hnx n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1hnx n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1hnx n GLU 61 N -0.31 0.00 -3.45 5.56 2.13 -1.13 -3.13 120.64 120.31 1hnx n GLU 61 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1hnx n GLU 61 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1hnx n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1hnx s HIS 62 N 0.00 3.58 -0.04 4.31 3.76 -1.26 -2.81 115.29 122.82 1hnx s HIS 62 Ca 0.00 0.94 0.01 0.00 -0.15 0.00 0.00 55.06 55.85 1hnx s HIS 62 Cb 0.00 -2.28 0.02 0.00 1.11 0.00 0.00 32.58 31.44 1hnx s HIS 62 CO 0.00 0.44 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.24 1hnx s PHE 63 N -1.48 0.65 -0.05 1.40 2.99 -1.25 -4.98 117.98 115.26 1hnx s PHE 63 Ca 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 56.93 57.14 1hnx s PHE 63 Cb -0.14 -0.63 0.03 0.00 0.00 0.00 0.00 43.02 42.28 1hnx s PHE 63 CO 0.19 -0.19 0.00 -1.83 -0.00 0.00 0.00 175.22 173.39 1hnx s GLU 64 N 1.05 0.45 -0.35 0.44 4.04 -1.23 0.05 118.70 123.13 1hnx s GLU 64 Ca -0.09 0.09 -0.13 0.00 0.04 0.00 0.00 54.97 54.88 1hnx s GLU 64 Cb -0.14 -0.71 -0.01 0.00 0.02 0.00 0.00 34.13 33.30 1hnx s GLU 64 CO -0.01 -0.20 0.24 -1.17 -1.84 0.00 0.00 175.26 172.28 1hnx s LEU 65 N 1.46 4.62 -0.41 1.83 0.20 -0.09 -4.86 118.68 121.42 1hnx s LEU 65 Ca -0.03 -0.54 -0.12 0.00 0.69 0.00 0.00 54.13 54.12 1hnx s LEU 65 Cb -0.13 -2.13 0.05 0.00 -0.43 0.00 0.00 46.19 43.55 1hnx s LEU 65 CO -0.03 -0.28 0.27 0.00 -0.29 0.00 0.00 176.35 176.03 1hnx s ARG 66 N 1.70 2.81 -0.25 1.98 1.70 -1.26 -1.54 118.95 124.09 1hnx s ARG 66 Ca 0.06 -1.24 -0.29 0.00 -0.47 0.00 0.00 55.73 53.78 1hnx s ARG 66 Cb -0.18 -3.86 0.00 0.00 -0.57 0.00 0.00 34.95 30.34 1hnx s ARG 66 CO 0.10 -0.85 1.22 0.99 -1.08 0.00 0.00 175.30 175.68 1hnx s THR 67 N 1.55 4.32 0.38 4.99 2.01 -0.75 -4.66 115.64 123.48 1hnx s THR 67 Ca 0.03 1.55 -0.01 0.00 0.31 0.00 0.00 61.69 63.57 1hnx s THR 67 Cb -0.21 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 1hnx s THR 67 CO 0.06 -0.32 0.60 -1.00 -0.69 0.00 0.00 174.62 173.26 1hnx s HIS 68 N 3.81 3.51 0.09 4.92 3.76 0.08 -1.81 115.29 129.65 1hnx s HIS 68 Ca 0.52 0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.92 1hnx s HIS 68 Cb -0.17 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 1hnx s HIS 68 CO 0.17 0.03 -0.09 -0.80 -0.85 0.00 0.00 174.74 173.20 1hnx s ASN 69 N -4.03 1.26 0.01 1.40 0.01 -1.26 -2.92 114.94 109.41 1hnx s ASN 69 Ca 0.42 -0.81 -0.16 0.00 -0.71 0.00 0.00 52.86 51.59 1hnx s ASN 69 Cb -0.10 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.63 1hnx s ASN 69 CO 0.38 -0.30 0.36 -0.13 -1.51 0.00 0.00 177.10 175.89 1hnx s ARG 70 N -2.84 0.79 0.07 -0.60 1.81 0.50 -4.40 118.95 114.28 1hnx s ARG 70 Ca 0.04 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 1hnx s ARG 70 Cb -0.02 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 1hnx s ARG 70 CO -0.01 -0.24 0.00 -0.11 -0.68 0.00 0.00 175.30 174.26 1hnx n LEU 71 N 0.90 0.33 0.00 2.53 -0.00 -0.82 -1.70 117.00 118.24 1hnx n LEU 71 Ca -0.20 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1hnx n LEU 71 Cb 0.58 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1hnx n LEU 71 CO 0.22 -0.62 0.00 0.52 -0.00 0.00 0.00 177.39 177.50 1hnx n VAL 72 N -2.95 0.00 -0.69 1.96 0.31 -1.26 -3.80 118.33 111.91 1hnx n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hnx n VAL 72 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1hnx n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hnx n ASP 73 N 6.90 -1.61 -4.15 4.52 9.92 -1.26 -3.58 116.55 127.28 1hnx n ASP 73 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1hnx n ASP 73 Cb 0.00 -0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 39.54 1hnx n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1hnx s ILE 74 N 0.00 3.11 0.73 0.53 1.01 -1.03 -0.38 121.20 125.17 1hnx s ILE 74 Ca 0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 1hnx s ILE 74 Cb 0.00 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1hnx s ILE 74 CO 0.00 -0.37 1.09 -0.63 0.00 0.00 0.00 174.94 175.03 1hnx s ILE 75 N 1.20 3.52 -0.59 2.92 1.01 -1.26 -1.04 121.20 126.97 1hnx s ILE 75 Ca 0.01 0.49 -0.09 0.00 0.00 0.00 0.00 60.65 61.07 1hnx s ILE 75 Cb -0.21 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1hnx s ILE 75 CO -0.02 -0.65 0.65 0.59 0.00 0.00 0.00 174.94 175.51 1hnx n ASN 76 N -3.13 -7.71 -4.69 3.58 3.02 -1.26 -1.75 115.26 103.33 1hnx n ASN 76 Ca 0.07 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1hnx n ASN 76 Cb 0.56 -5.11 -0.03 0.00 -0.61 0.00 0.00 39.78 34.59 1hnx n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1hnx s PRO 77 N -2.86 4.41 -0.35 3.52 0.04 -1.26 -2.99 135.00 135.51 1hnx s PRO 77 Ca 0.13 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1hnx s PRO 77 Cb -0.03 -3.51 0.12 0.00 0.04 0.00 0.00 34.50 31.12 1hnx s PRO 77 CO 0.77 -0.34 0.16 -0.80 0.04 0.00 0.00 177.00 176.84 1hnx s ASN 78 N 1.26 3.59 0.00 6.66 0.01 -1.24 -4.96 114.94 120.27 1hnx s ASN 78 Ca 0.54 -1.93 0.00 0.00 -0.71 0.00 0.00 52.86 50.76 1hnx s ASN 78 Cb -0.23 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.73 1hnx s ASN 78 CO 0.23 -0.36 0.00 0.54 -1.51 0.00 0.00 177.10 176.00 1hnx n ARG 79 N 4.44 0.00 0.16 -0.60 5.12 -1.26 0.72 116.66 125.23 1hnx n ARG 79 Ca 0.03 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.13 1hnx n ARG 79 Cb 0.39 0.00 0.69 0.00 -1.16 0.00 0.00 32.46 32.38 1hnx n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1hnx h LYS 80 N 0.00 0.00 0.51 5.56 1.63 -1.97 0.48 116.57 122.78 1hnx h LYS 80 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1hnx h LYS 80 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1hnx h LYS 80 CO 0.00 0.00 -0.24 1.15 -3.45 0.00 0.00 179.45 176.91 1hnx h THR 81 N 0.00 0.34 0.00 1.00 2.02 0.22 -0.65 112.91 115.84 1hnx h THR 81 Ca 0.15 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1hnx h THR 81 Cb 1.20 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1hnx h THR 81 CO -0.00 0.05 0.00 -0.38 0.37 0.00 0.00 175.52 175.56 1hnx n ILE 82 N -5.27 0.00 -0.11 3.11 5.41 0.16 -1.25 119.36 121.41 1hnx n ILE 82 Ca -0.11 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.47 1hnx n ILE 82 Cb 0.32 -0.63 -0.06 0.00 -0.71 0.00 0.00 39.64 38.56 1hnx n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1hnx n GLU 83 N -0.74 0.55 0.12 0.38 4.07 -0.52 -3.76 120.64 120.74 1hnx n GLU 83 Ca 0.02 0.25 0.02 0.00 -0.06 0.00 0.00 57.16 57.39 1hnx n GLU 83 Cb 0.01 -1.47 0.37 0.00 -0.06 0.00 0.00 31.44 30.29 1hnx n GLU 83 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1hnx h GLN 84 N -1.00 0.21 0.00 5.31 4.20 -0.49 -3.40 115.11 119.94 1hnx h GLN 84 Ca -0.28 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1hnx h GLN 84 Cb 1.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1hnx h GLN 84 CO -0.17 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.67 1hnx n LEU 85 N -4.23 0.00 0.00 1.46 4.77 -0.38 -4.55 117.00 114.07 1hnx n LEU 85 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1hnx n LEU 85 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1hnx n LEU 85 CO 0.38 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 177.24 1hnx n MET 86 N 0.00 0.00 -3.75 3.23 1.56 -1.25 -2.29 117.12 114.62 1hnx n MET 86 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 1hnx n MET 86 Cb 0.00 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.25 1hnx n MET 86 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1hnx s THR 87 N 0.00 1.87 0.00 1.12 2.01 -1.26 -4.75 115.64 114.62 1hnx s THR 87 Ca 0.00 -3.21 0.00 0.00 0.31 0.00 0.00 61.69 58.79 1hnx s THR 87 Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1hnx s THR 87 CO 0.00 -0.97 0.13 0.18 -0.69 0.00 0.00 174.62 173.27 1hnx n LEU 88 N 2.89 0.00 0.00 4.42 4.77 -0.97 -5.05 117.00 123.07 1hnx n LEU 88 Ca 0.15 -0.57 -0.27 0.00 -0.03 0.00 0.00 56.01 55.29 1hnx n LEU 88 Cb 0.36 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.66 1hnx n LEU 88 CO 0.24 0.61 0.68 -0.90 -1.33 0.00 0.00 177.39 176.69 1hnx n ASP 89 N 0.00 -0.99 0.05 -1.43 5.75 -1.26 -5.05 116.55 113.61 1hnx n ASP 89 Ca 0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1hnx n ASP 89 Cb 0.44 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1hnx n ASP 89 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1hnx n LEU 90 N 0.00 -0.46 -4.46 -2.12 4.77 -1.26 -5.14 117.00 108.33 1hnx n LEU 90 Ca 0.15 0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 1hnx n LEU 90 Cb 0.54 0.60 0.02 0.00 -2.33 0.00 0.00 43.42 42.25 1hnx n LEU 90 CO 0.38 -0.47 0.07 -0.81 -1.33 0.00 0.00 177.39 175.23 1hnx n PRO 91 N -2.75 0.58 -0.13 3.23 -0.04 -1.26 -4.98 135.00 129.64 1hnx n PRO 91 Ca 0.00 0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 1hnx n PRO 91 Cb 0.00 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 1hnx n PRO 91 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1hnx n THR 92 N -1.14 1.49 0.89 0.52 -1.04 -1.26 -4.47 114.28 109.27 1hnx n THR 92 Ca 0.11 -0.46 0.08 0.00 -2.04 0.00 0.00 64.05 61.74 1hnx n THR 92 Cb 0.42 -1.66 0.44 0.00 -1.82 0.00 0.00 70.33 67.71 1hnx n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hnx n GLY 93 N 1.73 -0.66 3.99 3.41 0.00 -1.26 -4.75 105.19 107.65 1hnx n GLY 93 Ca -0.50 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1hnx n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hnx s VAL 94 N -2.29 2.35 -0.30 1.61 1.01 -1.26 -4.18 120.40 117.34 1hnx s VAL 94 Ca 0.20 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 1hnx s VAL 94 Cb 0.11 -2.65 0.17 0.00 0.00 0.00 0.00 36.38 34.01 1hnx s VAL 94 CO 0.22 0.00 1.03 -0.70 0.00 0.00 0.00 175.10 175.64 1hnx s GLU 95 N -4.91 0.25 0.34 2.72 -6.30 -1.22 -5.02 118.70 104.56 1hnx s GLU 95 Ca 0.62 0.59 0.07 0.00 -2.50 0.00 0.00 54.97 53.75 1hnx s GLU 95 Cb -0.07 0.35 -0.02 0.00 0.00 0.00 0.00 34.13 34.39 1hnx s GLU 95 CO 0.41 -0.13 0.35 0.42 0.02 0.00 0.00 175.26 176.34 1hnx s ILE 96 N 2.51 3.64 -0.11 -3.70 1.01 -1.26 -2.92 121.20 120.37 1hnx s ILE 96 Ca -0.01 -1.26 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 1hnx s ILE 96 Cb -0.06 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1hnx s ILE 96 CO -0.16 -0.16 0.29 -1.61 0.00 0.00 0.00 174.94 173.30 1hnx s GLU 97 N -4.06 0.33 0.07 2.79 0.41 -1.06 -5.02 118.70 112.17 1hnx s GLU 97 Ca 0.43 0.42 -0.09 0.00 -0.41 0.00 0.00 54.97 55.32 1hnx s GLU 97 Cb -0.07 0.14 -0.00 0.00 -1.78 0.00 0.00 34.13 32.42 1hnx s GLU 97 CO 0.28 -0.05 0.19 0.42 -0.49 0.00 0.00 175.26 175.61 1hnx s ILE 98 N 0.26 0.13 -0.29 -1.63 1.01 -1.26 -0.07 121.20 119.35 1hnx s ILE 98 Ca -0.01 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1hnx s ILE 98 Cb -0.03 -1.18 0.19 0.00 0.01 0.00 0.00 42.46 41.45 1hnx s ILE 98 CO -0.01 -0.60 0.55 -0.54 0.00 0.00 0.00 174.94 174.35 1hnx s LYS 99 N -3.38 0.52 0.00 2.79 1.02 -0.69 -5.01 119.74 115.00 1hnx s LYS 99 Ca 0.01 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.51 1hnx s LYS 99 Cb 0.03 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1hnx s LYS 99 CO -0.08 -0.99 0.46 2.41 -0.92 0.00 0.00 175.35 176.23