#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s ILE 3 N 0.00 4.91 0.19 4.25 -4.36 -1.26 -5.05 121.20 119.88 3knh s ILE 3 Ca 0.00 -0.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.81 3knh s ILE 3 Cb 0.00 -4.26 -0.07 0.00 1.25 0.00 0.00 42.46 39.38 3knh s ILE 3 CO 0.00 -0.75 0.55 0.42 0.24 0.00 0.00 174.94 175.40 3knh s THR 4 N 2.55 4.90 0.32 8.37 -4.23 -1.26 -4.92 115.64 121.37 3knh s THR 4 Ca 0.15 0.63 0.10 0.00 -1.18 0.00 0.00 61.69 61.39 3knh s THR 4 Cb -0.19 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.32 3knh s THR 4 CO 0.12 0.07 1.64 0.07 -0.54 0.00 0.00 174.62 175.98 3knh h LYS 5 N 3.00 0.21 0.30 3.99 2.10 -1.96 0.30 116.57 124.51 3knh h LYS 5 Ca -0.48 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3knh h LYS 5 Cb 1.18 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.43 3knh h LYS 5 CO 0.68 0.14 -0.45 0.93 -2.00 0.00 0.00 179.45 178.74 3knh h GLU 6 N 0.21 -0.78 0.00 0.07 3.07 -1.98 1.17 114.58 116.35 3knh h GLU 6 Ca 0.67 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.58 3knh h GLU 6 Cb 1.50 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 3knh h GLU 6 CO -0.67 -0.52 0.22 0.93 -1.40 0.00 0.00 179.01 177.57 3knh h GLU 7 N -0.81 0.00 0.00 2.33 5.08 -0.89 0.26 114.58 120.55 3knh h GLU 7 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3knh h GLU 7 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3knh h GLU 7 CO -0.15 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.03 3knh n LYS 8 N -2.66 0.00 -0.18 2.33 4.81 0.18 -3.39 118.16 119.24 3knh n LYS 8 Ca -0.02 0.08 0.29 0.00 -0.87 0.00 0.00 58.31 57.80 3knh n LYS 8 Cb 0.27 -0.43 0.72 0.00 0.02 0.00 0.00 35.03 35.61 3knh n LYS 8 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3knh h GLN 9 N 0.00 0.00 0.80 1.64 1.08 0.11 0.18 115.11 118.93 3knh h GLN 9 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3knh h GLN 9 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3knh h GLN 9 CO 0.00 0.00 -0.39 1.57 -0.95 0.00 0.00 178.83 179.06 3knh h LYS 10 N 0.00 -1.04 -0.80 1.46 5.09 -0.59 0.55 116.57 121.23 3knh h LYS 10 Ca 0.43 0.07 0.16 0.00 0.09 0.00 0.00 60.65 61.40 3knh h LYS 10 Cb 1.86 0.24 -0.10 0.00 0.10 0.00 0.00 32.23 34.32 3knh h LYS 10 CO -0.00 -0.68 0.35 0.28 -2.09 0.00 0.00 179.45 177.31 3knh h VAL 11 N -1.20 0.65 0.01 0.07 2.07 -0.73 -0.56 116.25 116.56 3knh h VAL 11 Ca -0.11 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3knh h VAL 11 Cb 0.84 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3knh h VAL 11 CO 0.18 0.09 -0.04 0.40 0.02 0.00 0.00 177.57 178.22 3knh h ILE 12 N 0.49 0.91 0.00 4.57 2.04 -0.83 -2.27 117.51 122.42 3knh h ILE 12 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.31 3knh h ILE 12 Cb 0.70 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3knh h ILE 12 CO -0.41 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.74 3knh n GLN 13 N -5.14 0.54 0.00 2.37 6.02 0.19 -2.29 117.38 119.06 3knh n GLN 13 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3knh n GLN 13 Cb 0.07 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3knh n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3knh n GLU 14 N 0.69 -0.01 0.00 -1.09 4.07 -0.85 -4.88 120.64 118.57 3knh n GLU 14 Ca 0.00 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 3knh n GLU 14 Cb 0.26 -0.51 0.00 0.00 -0.06 0.00 0.00 31.44 31.12 3knh n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3knh n PHE 15 N -0.00 0.00 -0.75 4.31 3.01 -0.97 -5.11 117.46 117.95 3knh n PHE 15 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.13 3knh n PHE 15 Cb 0.29 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.90 3knh n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knh n ALA 16 N -0.16 -3.58 -0.01 4.37 0.00 -1.22 -4.24 120.51 115.67 3knh n ALA 16 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 53.44 52.55 3knh n ALA 16 Cb 0.08 -1.60 0.18 0.00 0.00 0.00 0.00 19.45 18.10 3knh n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 17 N -1.57 2.40 0.00 0.00 5.12 -1.26 -4.89 116.66 116.46 3knh n ARG 17 Ca 0.03 -2.07 0.00 0.00 -1.93 0.00 0.00 57.85 53.88 3knh n ARG 17 Cb 0.59 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 3knh n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3knh n PHE 18 N 0.95 0.00 -1.57 -1.55 1.16 -1.26 -5.06 117.46 110.12 3knh n PHE 18 Ca 0.15 0.00 -0.48 0.00 -1.87 0.00 0.00 57.45 55.25 3knh n PHE 18 Cb 0.48 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.31 3knh n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3knh n PRO 19 N 0.00 1.11 0.00 3.97 -0.02 -1.26 -1.31 135.00 137.49 3knh n PRO 19 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3knh n PRO 19 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3knh n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knh n GLY 20 N 1.87 1.11 3.61 -1.23 0.00 -1.26 -5.06 105.19 104.23 3knh n GLY 20 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3knh n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knh s ASP 21 N -2.00 6.72 -0.27 1.61 3.68 -0.43 -4.89 116.67 121.09 3knh s ASP 21 Ca 0.00 0.68 -0.12 0.00 2.13 0.00 0.00 52.55 55.24 3knh s ASP 21 Cb 0.00 -2.47 -0.12 0.00 -1.45 0.00 0.00 42.92 38.88 3knh s ASP 21 CO 0.00 -0.81 -0.34 0.35 0.13 0.00 0.00 175.17 174.49 3knh n THR 22 N 5.87 1.50 0.00 1.71 -2.24 -1.26 -4.71 114.28 115.16 3knh n THR 22 Ca 0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3knh n THR 22 Cb 0.48 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 3knh n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knh n GLY 23 N 1.38 1.85 4.31 3.38 0.00 -1.26 -4.58 105.19 110.27 3knh n GLY 23 Ca -0.53 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.56 3knh n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knh n SER 24 N 0.00 -5.86 -0.02 1.61 3.41 -1.26 -3.56 113.62 107.94 3knh n SER 24 Ca 0.00 0.59 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 3knh n SER 24 Cb 0.00 -1.71 -0.01 0.00 -0.26 0.00 0.00 64.21 62.24 3knh n SER 24 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3knh n THR 25 N -2.52 0.38 -0.12 6.66 -1.04 -1.26 -4.04 114.28 112.34 3knh n THR 25 Ca 0.00 0.42 -0.02 0.00 -2.04 0.00 0.00 64.05 62.41 3knh n THR 25 Cb 0.25 -1.73 -0.01 0.00 -1.82 0.00 0.00 70.33 67.02 3knh n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3knh n GLU 26 N -2.94 -0.10 0.37 -2.82 -0.58 -1.26 0.68 120.64 113.98 3knh n GLU 26 Ca -0.03 0.44 -0.18 0.00 -0.42 0.00 0.00 57.16 56.97 3knh n GLU 26 Cb 0.10 -0.64 -0.09 0.00 -0.57 0.00 0.00 31.44 30.24 3knh n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3knh h VAL 27 N 0.00 0.20 0.08 2.62 2.07 -1.74 -2.88 116.25 116.59 3knh h VAL 27 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3knh h VAL 27 Cb 0.14 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3knh h VAL 27 CO -0.28 0.00 -0.37 1.56 0.02 0.00 0.00 177.57 178.51 3knh h GLN 28 N -1.00 -0.55 0.00 1.57 4.20 0.19 0.14 115.11 119.67 3knh h GLN 28 Ca -0.08 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3knh h GLN 28 Cb 0.80 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3knh h GLN 28 CO 0.10 -0.37 0.00 0.28 -0.67 0.00 0.00 178.83 178.17 3knh n VAL 29 N -5.44 0.00 -0.35 -0.54 0.31 -0.20 -1.03 118.33 111.09 3knh n VAL 29 Ca -0.06 0.97 0.22 0.00 -0.01 0.00 0.00 64.34 65.46 3knh n VAL 29 Cb 0.35 -1.56 0.47 0.00 -0.91 0.00 0.00 33.84 32.19 3knh n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knh h ALA 30 N -2.05 2.05 -0.52 3.52 0.00 -1.51 0.25 119.26 121.00 3knh h ALA 30 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3knh h ALA 30 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3knh h ALA 30 CO 0.00 -0.55 0.35 1.25 0.00 0.00 0.00 179.25 180.29 3knh h LEU 31 N 0.42 0.48 0.00 0.00 5.85 -0.01 -0.71 115.31 121.33 3knh h LEU 31 Ca 0.67 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 59.20 3knh h LEU 31 Cb 1.54 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 3knh h LEU 31 CO -0.45 0.33 -1.34 -0.07 -0.34 0.00 0.00 178.44 176.57 3knh h LEU 32 N 0.56 0.00 -1.50 2.25 3.38 0.11 -3.36 115.31 116.74 3knh h LEU 32 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3knh h LEU 32 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3knh h LEU 32 CO -0.06 0.64 0.00 0.41 0.09 0.00 0.00 178.44 179.53 3knh n THR 33 N -2.96 0.23 0.00 0.22 -1.04 0.33 -1.82 114.28 109.24 3knh n THR 33 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3knh n THR 33 Cb 0.86 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 3knh n THR 33 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3knh n LEU 34 N 0.53 0.67 0.23 -4.42 7.94 -1.22 -4.64 117.00 116.10 3knh n LEU 34 Ca 0.00 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.07 3knh n LEU 34 Cb 0.17 0.00 0.79 0.00 0.53 0.00 0.00 43.42 44.91 3knh n LEU 34 CO 0.00 -0.01 1.15 0.03 -1.11 0.00 0.00 177.39 177.44 3knh h ARG 35 N 0.00 0.00 -0.01 1.96 3.08 -1.53 0.15 114.38 118.03 3knh h ARG 35 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3knh h ARG 35 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3knh h ARG 35 CO 0.00 0.00 -0.06 0.82 -1.07 0.00 0.00 179.97 179.66 3knh h ILE 36 N 0.00 1.55 0.00 2.04 2.04 -1.79 -1.95 117.51 119.40 3knh h ILE 36 Ca 0.08 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.23 3knh h ILE 36 Cb 0.82 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3knh h ILE 36 CO -0.00 0.45 0.00 0.78 0.00 0.00 0.00 178.15 179.38 3knh h ASN 37 N -0.64 0.00 0.09 1.72 -0.26 -1.18 3.30 115.58 118.61 3knh h ASN 37 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3knh h ASN 37 Cb 0.77 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 3knh h ASN 37 CO 0.01 0.00 -0.04 0.03 -1.06 0.00 0.00 177.43 176.37 3knh h ARG 38 N 0.00 -0.12 0.05 0.81 2.47 -0.71 -3.09 114.38 113.78 3knh h ARG 38 Ca 0.00 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3knh h ARG 38 Cb 0.43 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3knh h ARG 38 CO 0.00 0.39 -0.02 -0.07 0.56 0.00 0.00 179.97 180.83 3knh h LEU 39 N -0.74 -0.05 -0.26 3.04 3.38 -0.51 -1.93 115.31 118.24 3knh h LEU 39 Ca -0.01 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3knh h LEU 39 Cb 0.56 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3knh h LEU 39 CO 0.02 0.51 0.37 -0.24 0.09 0.00 0.00 178.44 179.19 3knh n SER 40 N -4.85 0.10 -0.12 -0.43 2.88 1.09 -0.50 113.62 111.80 3knh n SER 40 Ca -0.09 0.31 -0.20 0.00 -1.33 0.00 0.00 58.87 57.56 3knh n SER 40 Cb 0.28 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 3knh n SER 40 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3knh n GLU 41 N -1.54 0.56 0.06 -1.46 4.71 -1.06 -3.50 120.64 118.42 3knh n GLU 41 Ca -0.00 0.25 0.03 0.00 -0.01 0.00 0.00 57.16 57.43 3knh n GLU 41 Cb 0.38 -1.47 0.18 0.00 -1.01 0.00 0.00 31.44 29.51 3knh n GLU 41 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 3knh n HIS 42 N -4.35 0.22 -0.09 -0.32 -0.00 0.13 -0.33 115.22 110.47 3knh n HIS 42 Ca -0.36 0.12 -0.23 0.00 -0.00 0.00 0.00 57.72 57.25 3knh n HIS 42 Cb 0.71 -0.57 -0.12 0.00 -0.00 0.00 0.00 29.99 30.01 3knh n HIS 42 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3knh n LEU 43 N -1.68 2.10 0.27 0.27 4.77 0.35 -2.09 117.00 120.98 3knh n LEU 43 Ca -0.00 0.33 0.17 0.00 -0.03 0.00 0.00 56.01 56.48 3knh n LEU 43 Cb 0.15 -0.97 0.83 0.00 -2.33 0.00 0.00 43.42 41.10 3knh n LEU 43 CO 0.03 0.49 1.15 0.50 -1.33 0.00 0.00 177.39 178.22 3knh h LYS 44 N -0.73 0.00 0.00 3.23 3.64 -0.72 0.37 116.57 122.36 3knh h LYS 44 Ca -0.45 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.56 3knh h LYS 44 Cb 1.54 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.29 3knh h LYS 44 CO -0.19 0.00 -2.40 0.28 -2.27 0.00 0.00 179.45 174.87 3knh n VAL 45 N -3.18 1.42 -2.49 2.00 0.31 -0.96 -4.48 118.33 110.95 3knh n VAL 45 Ca 0.00 -0.79 -0.33 0.00 -0.01 0.00 0.00 64.34 63.22 3knh n VAL 45 Cb 0.41 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3knh n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3knh n HIS 46 N -2.88 3.33 0.00 3.52 8.25 0.25 -4.81 115.22 122.88 3knh n HIS 46 Ca -0.36 -3.02 0.00 0.00 -0.26 0.00 0.00 57.72 54.08 3knh n HIS 46 Cb 1.12 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.53 3knh n HIS 46 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3knh n LYS 47 N -0.35 0.00 -0.73 -0.41 2.85 0.10 -1.04 118.16 118.59 3knh n LYS 47 Ca 0.42 0.44 0.08 0.00 -1.05 0.00 0.00 58.31 58.20 3knh n LYS 47 Cb 0.40 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.64 3knh n LYS 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3knh n LYS 48 N -1.44 4.20 -3.66 -1.58 4.76 -1.26 -4.81 118.16 114.37 3knh n LYS 48 Ca 0.00 -3.02 -0.39 0.00 -2.87 0.00 0.00 58.31 52.03 3knh n LYS 48 Cb 0.00 -2.08 -0.12 0.00 -1.84 0.00 0.00 35.03 30.99 3knh n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3knh s ASP 49 N -1.08 5.56 -0.15 4.39 -1.08 -0.21 -4.99 116.67 119.11 3knh s ASP 49 Ca 0.50 -1.07 0.01 0.00 -0.52 0.00 0.00 52.55 51.47 3knh s ASP 49 Cb 0.38 -1.96 -0.23 0.00 -1.46 0.00 0.00 42.92 39.65 3knh s ASP 49 CO 0.16 -0.37 0.23 1.41 0.52 0.00 0.00 175.17 177.13 3knh n HIS 50 N 4.92 0.76 0.29 -5.34 8.25 -1.26 -4.13 115.22 118.70 3knh n HIS 50 Ca -0.12 0.19 0.14 0.00 -0.26 0.00 0.00 57.72 57.67 3knh n HIS 50 Cb 0.45 -1.11 0.87 0.00 1.12 0.00 0.00 29.99 31.32 3knh n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3knh h HIS 51 N 0.03 0.00 0.10 4.41 3.86 -2.00 -0.86 115.15 120.68 3knh h HIS 51 Ca -0.45 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.48 3knh h HIS 51 Cb 2.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.48 3knh h HIS 51 CO 0.04 0.00 -1.37 0.77 0.86 0.00 0.00 177.93 178.24 3knh h SER 52 N 0.00 0.31 -0.00 2.45 0.02 -1.99 -3.04 113.55 111.30 3knh h SER 52 Ca -0.00 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3knh h SER 52 Cb 0.01 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 3knh h SER 52 CO 0.00 1.32 -0.50 -0.74 -1.14 0.00 0.00 176.83 175.77 3knh h HIS 53 N 0.05 -1.47 -0.59 3.45 6.17 -1.32 0.12 115.15 121.56 3knh h HIS 53 Ca -0.18 0.05 0.07 0.00 0.71 0.00 0.00 60.37 61.02 3knh h HIS 53 Cb 1.96 0.64 -0.10 0.00 2.52 0.00 0.00 27.41 32.44 3knh h HIS 53 CO 0.05 -0.54 -0.52 -0.09 0.71 0.00 0.00 177.93 177.55 3knh h ARG 54 N -0.63 -0.25 -1.17 5.26 2.43 -1.59 0.44 114.38 118.88 3knh h ARG 54 Ca 0.01 0.02 0.44 0.00 -0.81 0.00 0.00 59.98 59.64 3knh h ARG 54 Cb 0.67 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.12 3knh h ARG 54 CO -0.34 -0.17 0.69 0.78 -1.51 0.00 0.00 179.97 179.43 3knh h GLY 55 N -0.26 1.87 0.85 2.80 0.00 -0.75 0.41 103.07 107.98 3knh h GLY 55 Ca 0.13 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3knh h GLY 55 CO -0.70 -0.65 -0.71 -2.00 0.00 0.00 0.00 176.54 172.49 3knh h LEU 56 N 0.02 0.59 -1.66 3.11 5.85 0.21 -3.28 115.31 120.14 3knh h LEU 56 Ca 0.86 -0.78 0.25 0.00 0.84 0.00 0.00 57.88 59.04 3knh h LEU 56 Cb 2.47 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 43.25 3knh h LEU 56 CO -0.63 1.30 0.65 -0.07 -0.34 0.00 0.00 178.44 179.35 3knh h LEU 57 N -0.05 0.26 0.00 2.25 3.38 0.12 -1.13 115.31 120.14 3knh h LEU 57 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3knh h LEU 57 Cb 1.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3knh h LEU 57 CO 0.14 0.08 0.00 0.23 0.09 0.00 0.00 178.44 178.98 3knh n MET 58 N -4.44 0.00 -0.11 1.13 2.81 -1.02 -3.02 117.12 112.47 3knh n MET 58 Ca 0.21 0.46 -0.00 0.00 -1.81 0.00 0.00 57.70 56.56 3knh n MET 58 Cb 0.86 -1.32 0.01 0.00 -0.71 0.00 0.00 33.22 32.07 3knh n MET 58 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3knh n MET 59 N -1.89 -0.07 -0.03 0.03 2.81 -0.52 0.18 117.12 117.63 3knh n MET 59 Ca 0.00 0.45 -0.10 0.00 -1.81 0.00 0.00 57.70 56.24 3knh n MET 59 Cb 0.00 -0.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.82 3knh n MET 59 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3knh h VAL 60 N 0.00 0.31 -0.82 2.03 2.07 -1.33 0.21 116.25 118.72 3knh h VAL 60 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3knh h VAL 60 Cb 0.17 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 3knh h VAL 60 CO -0.29 0.00 0.52 1.23 0.02 0.00 0.00 177.57 179.05 3knh h GLY 61 N -0.34 1.21 0.63 2.17 0.00 0.19 -1.27 103.07 105.68 3knh h GLY 61 Ca 0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3knh h GLY 61 CO -0.38 0.30 -0.44 -1.61 0.00 0.00 0.00 176.54 174.40 3knh h GLN 62 N 0.98 -0.92 -0.59 4.80 5.75 -0.27 0.45 115.11 125.31 3knh h GLN 62 Ca 0.34 0.06 0.11 0.00 -0.15 0.00 0.00 58.65 59.02 3knh h GLN 62 Cb 0.08 0.21 -0.12 0.00 1.07 0.00 0.00 27.48 28.73 3knh h GLN 62 CO -0.14 -0.61 -0.28 -0.09 -2.65 0.00 0.00 178.83 175.06 3knh h ARG 63 N -0.95 -0.12 -0.74 1.69 2.43 -0.31 0.15 114.38 116.54 3knh h ARG 63 Ca -0.06 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3knh h ARG 63 Cb 0.82 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 3knh h ARG 63 CO -0.02 -0.08 0.37 -0.09 -1.51 0.00 0.00 179.97 178.65 3knh h ARG 64 N -0.12 0.61 -0.83 0.20 2.43 -0.75 0.38 114.38 116.30 3knh h ARG 64 Ca 0.26 -0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.63 3knh h ARG 64 Cb 0.53 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3knh h ARG 64 CO -0.67 0.40 0.60 0.00 -1.51 0.00 0.00 179.97 178.79 3knh h ARG 65 N 0.63 0.00 0.00 0.20 -0.00 0.28 -2.18 114.38 113.30 3knh h ARG 65 Ca 0.37 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.66 3knh h ARG 65 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.34 3knh h ARG 65 CO -0.28 0.00 -1.03 -0.07 0.00 0.00 0.00 179.97 178.60 3knh h LEU 66 N 0.00 0.00 0.00 3.04 4.07 0.20 -3.16 115.31 119.46 3knh h LEU 66 Ca 0.39 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.79 3knh h LEU 66 Cb 1.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.33 3knh h LEU 66 CO -0.00 1.38 0.00 0.18 -1.08 0.00 0.00 178.44 178.92 3knh n LEU 67 N -4.47 0.00 -0.07 1.67 4.77 0.10 -0.14 117.00 118.86 3knh n LEU 67 Ca -0.28 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 3knh n LEU 67 Cb 0.63 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3knh n LEU 67 CO 0.21 0.00 -0.96 -1.14 -1.33 0.00 0.00 177.39 174.17 3knh n ARG 68 N -0.91 0.73 -0.02 3.23 0.63 -0.86 -3.27 116.66 116.20 3knh n ARG 68 Ca 0.01 0.07 -0.13 0.00 -0.92 0.00 0.00 57.85 56.88 3knh n ARG 68 Cb 0.00 -1.30 -0.09 0.00 0.45 0.00 0.00 32.46 31.53 3knh n ARG 68 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 3knh h TYR 69 N 0.00 0.08 0.24 -0.14 3.20 -0.88 0.80 116.97 120.27 3knh h TYR 69 Ca -0.33 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.53 3knh h TYR 69 Cb 1.55 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.77 3knh h TYR 69 CO 0.01 0.47 -0.35 1.25 -1.64 0.00 0.00 178.16 177.90 3knh h LEU 70 N -0.34 -1.00 0.11 2.82 5.85 -0.78 -0.42 115.31 121.56 3knh h LEU 70 Ca 0.01 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3knh h LEU 70 Cb 0.45 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3knh h LEU 70 CO 0.00 -0.47 -0.20 -0.61 -0.34 0.00 0.00 178.44 176.83 3knh h GLN 71 N -0.66 -0.37 -0.47 1.25 -0.00 -1.52 0.16 115.11 113.50 3knh h GLN 71 Ca 0.00 0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.76 3knh h GLN 71 Cb 0.64 0.08 -0.10 0.00 0.00 0.00 0.00 27.48 28.10 3knh h GLN 71 CO -0.13 -0.25 -0.36 -0.09 0.00 0.00 0.00 178.83 178.00 3knh h ARG 72 N -0.38 -0.24 0.00 1.69 2.43 0.75 -3.01 114.38 115.62 3knh h ARG 72 Ca 0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3knh h ARG 72 Cb 0.40 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3knh h ARG 72 CO -0.11 -0.16 0.00 0.39 -1.51 0.00 0.00 179.97 178.58 3knh n GLU 73 N -5.42 0.00 -3.50 0.20 -0.58 -0.18 -4.50 120.64 106.67 3knh n GLU 73 Ca 0.02 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.37 3knh n GLU 73 Cb 0.35 -1.02 -0.04 0.00 -0.57 0.00 0.00 31.44 30.16 3knh n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3knh s ASP 74 N -2.02 6.47 0.65 1.62 2.15 0.51 -4.87 116.67 121.18 3knh s ASP 74 Ca 0.00 -3.39 0.13 0.00 0.43 0.00 0.00 52.55 49.72 3knh s ASP 74 Cb 0.00 -2.05 0.62 0.00 -0.30 0.00 0.00 42.92 41.18 3knh s ASP 74 CO 0.00 -0.31 1.33 1.55 -0.17 0.00 0.00 175.17 177.57 3knh h PRO 75 N 6.67 0.00 0.00 4.34 0.13 -1.73 -2.97 132.00 138.44 3knh h PRO 75 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3knh h PRO 75 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3knh h PRO 75 CO 0.87 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.73 3knh n GLU 76 N -2.75 0.00 0.00 0.86 4.07 -1.26 -3.01 120.64 118.55 3knh n GLU 76 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3knh n GLU 76 Cb 0.88 -0.74 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 3knh n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3knh n ARG 77 N -0.42 0.00 -0.06 5.31 1.85 -1.13 -1.47 116.66 120.74 3knh n ARG 77 Ca 0.00 0.06 -0.09 0.00 -1.00 0.00 0.00 57.85 56.83 3knh n ARG 77 Cb 0.00 -1.51 -0.08 0.00 -1.05 0.00 0.00 32.46 29.82 3knh n ARG 77 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 3knh h TYR 78 N 0.00 0.00 -0.10 2.89 3.20 -1.58 -0.55 116.97 120.84 3knh h TYR 78 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3knh h TYR 78 Cb 0.02 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 3knh h TYR 78 CO 0.00 0.60 0.06 0.00 -1.64 0.00 0.00 178.16 177.18 3knh h ARG 79 N -1.00 0.14 0.00 1.82 3.08 -1.16 -2.23 114.38 115.02 3knh h ARG 79 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3knh h ARG 79 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3knh h ARG 79 CO -0.01 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 3knh n ALA 80 N -2.14 -0.03 -0.15 0.04 0.00 -0.80 -1.90 120.51 115.53 3knh n ALA 80 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 3knh n ALA 80 Cb 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 3knh n ALA 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3knh h LEU 81 N 0.00 -0.90 -1.14 0.00 5.85 -1.12 -1.66 115.31 116.35 3knh h LEU 81 Ca 0.00 0.13 0.36 0.00 0.84 0.00 0.00 57.88 59.21 3knh h LEU 81 Cb 0.00 0.39 -0.14 0.00 0.37 0.00 0.00 40.66 41.28 3knh h LEU 81 CO 0.00 -0.12 0.64 -0.29 -0.34 0.00 0.00 178.44 178.34 3knh h ILE 82 N -0.05 0.24 0.00 4.05 -0.00 -1.42 0.97 117.51 121.31 3knh h ILE 82 Ca 0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 3knh h ILE 82 Cb 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 36.82 37.00 3knh h ILE 82 CO -0.36 0.04 0.00 -0.62 -0.00 0.00 0.00 178.15 177.21 3knh n GLU 83 N -4.95 0.12 -0.06 2.19 -0.58 -0.62 0.24 120.64 116.98 3knh n GLU 83 Ca 0.33 0.19 -0.12 0.00 -0.42 0.00 0.00 57.16 57.15 3knh n GLU 83 Cb 1.12 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 30.34 3knh n GLU 83 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3knh n LYS 84 N -1.26 0.67 -0.01 3.49 4.01 0.33 -4.24 118.16 121.16 3knh n LYS 84 Ca 0.04 0.17 0.11 0.00 -0.51 0.00 0.00 58.31 58.11 3knh n LYS 84 Cb 0.06 -1.66 -0.15 0.00 -0.51 0.00 0.00 35.03 32.77 3knh n LYS 84 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3knh n LEU 85 N -3.02 0.41 -2.93 -0.35 4.77 -0.18 -5.06 117.00 110.64 3knh n LEU 85 Ca -0.27 -0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3knh n LEU 85 Cb 1.08 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3knh n LEU 85 CO 0.42 0.10 -0.49 0.61 -1.33 0.00 0.00 177.39 176.70 3knh n GLY 86 N 1.36 -2.39 0.00 -0.72 0.00 0.66 -5.06 105.19 99.04 3knh n GLY 86 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3knh n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3knh n ILE 87 N 1.05 0.00 -2.52 -0.61 5.41 -1.25 -5.00 119.36 116.43 3knh n ILE 87 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.61 3knh n ILE 87 Cb 0.24 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.18 3knh n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3knh n ARG 88 N 0.00 -0.66 0.00 0.38 1.74 -1.26 -5.08 116.66 111.78 3knh n ARG 88 Ca 0.00 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3knh n ARG 88 Cb 0.00 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3knh n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52