#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh n LEU 5 N 0.00 0.00 -0.06 -3.43 -0.00 -1.26 -5.06 117.00 107.19 3knh n LEU 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3knh n LEU 5 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3knh n LEU 5 CO 0.00 0.00 0.03 2.29 -0.00 0.00 0.00 177.39 179.71 3knh n LYS 6 N 1.42 0.00 -3.01 1.96 0.00 -1.26 -4.99 118.16 112.29 3knh n LYS 6 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3knh n LYS 6 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 3knh n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3knh n LYS 7 N 0.00 1.00 0.00 -1.58 4.01 -1.26 -5.10 118.16 115.23 3knh n LYS 7 Ca 0.00 -2.87 0.00 0.00 -0.51 0.00 0.00 58.31 54.93 3knh n LYS 7 Cb 0.06 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 3knh n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knh n GLY 8 N 0.27 3.96 0.19 0.72 0.00 -1.26 -4.96 105.19 104.11 3knh n GLY 8 Ca 0.17 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.61 3knh n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knh n VAL 9 N -1.94 0.39 -1.93 1.61 0.31 -1.26 -5.01 118.33 110.49 3knh n VAL 9 Ca 0.00 -0.70 -0.05 0.00 -0.01 0.00 0.00 64.34 63.58 3knh n VAL 9 Cb 0.00 0.86 -0.01 0.00 -0.91 0.00 0.00 33.84 33.78 3knh n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3knh n PHE 10 N 0.09 -0.99 -2.98 3.52 -1.74 -1.26 -4.25 117.46 109.85 3knh n PHE 10 Ca 0.03 0.08 -0.41 0.00 -0.56 0.00 0.00 57.45 56.60 3knh n PHE 10 Cb 0.19 -0.65 -0.04 0.00 1.52 0.00 0.00 39.48 40.49 3knh n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3knh s VAL 11 N -1.34 4.97 0.06 1.97 0.11 -1.26 -4.59 120.40 120.32 3knh s VAL 11 Ca 0.10 1.51 -0.37 0.00 -2.93 0.00 0.00 61.98 60.29 3knh s VAL 11 Cb -0.06 -4.08 -0.19 0.00 -1.53 0.00 0.00 36.38 30.53 3knh s VAL 11 CO 0.12 0.14 0.97 0.47 -3.33 0.00 0.00 175.10 173.47 3knh n ASP 12 N 4.55 -0.09 0.20 3.54 10.43 -1.26 -4.87 116.55 129.05 3knh n ASP 12 Ca 0.01 1.15 0.12 0.00 2.57 0.00 0.00 54.79 58.65 3knh n ASP 12 Cb 0.50 -0.96 0.21 0.00 1.84 0.00 0.00 41.12 42.70 3knh n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3knh h ASP 13 N 2.69 0.00 -0.01 -2.24 5.19 -2.00 -3.18 116.42 116.87 3knh h ASP 13 Ca -0.45 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3knh h ASP 13 Cb 1.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.93 3knh h ASP 13 CO 0.64 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.76 3knh n HIS 14 N -2.94 0.01 0.04 4.55 1.44 -1.26 -2.81 115.22 114.24 3knh n HIS 14 Ca 0.04 -0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.77 3knh n HIS 14 Cb 0.51 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 3knh n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3knh n LEU 15 N -0.83 0.05 0.24 2.39 7.99 -1.21 -4.59 117.00 121.04 3knh n LEU 15 Ca 0.21 -0.12 -0.10 0.00 -0.01 0.00 0.00 56.01 55.98 3knh n LEU 15 Cb 0.12 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.38 3knh n LEU 15 CO 0.16 0.01 0.27 -0.07 -1.51 0.00 0.00 177.39 176.26 3knh h LEU 16 N 0.00 -0.57 -0.72 2.23 4.07 -1.50 -2.82 115.31 116.00 3knh h LEU 16 Ca 0.00 0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.10 3knh h LEU 16 Cb 0.17 0.15 -0.13 0.00 1.08 0.00 0.00 40.66 41.92 3knh h LEU 16 CO 0.00 -0.15 -0.29 -0.08 -1.08 0.00 0.00 178.44 176.84 3knh h GLU 17 N -1.17 -0.08 -0.65 1.13 4.81 -1.82 0.42 114.58 117.22 3knh h GLU 17 Ca -0.07 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3knh h GLU 17 Cb 0.52 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3knh h GLU 17 CO 0.11 -0.05 0.43 -0.22 -0.73 0.00 0.00 179.01 178.55 3knh h LYS 18 N -0.08 0.50 -0.33 1.92 1.63 -1.81 0.64 116.57 119.04 3knh h LYS 18 Ca 0.30 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.99 3knh h LYS 18 Cb 0.56 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3knh h LYS 18 CO -0.77 0.33 -0.09 0.28 -3.45 0.00 0.00 179.45 175.75 3knh h VAL 19 N 0.51 1.28 -0.42 2.00 2.07 0.01 -0.72 116.25 120.99 3knh h VAL 19 Ca 0.30 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 3knh h VAL 19 Cb 0.48 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3knh h VAL 19 CO -0.09 0.38 -0.25 -0.07 0.02 0.00 0.00 177.57 177.56 3knh h LEU 20 N 0.43 0.94 -0.47 2.57 3.38 0.53 0.92 115.31 123.60 3knh h LEU 20 Ca 0.08 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3knh h LEU 20 Cb 0.60 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3knh h LEU 20 CO 0.04 1.15 0.26 -0.33 0.09 0.00 0.00 178.44 179.64 3knh h GLU 21 N 0.72 0.67 0.00 1.13 5.08 0.28 0.32 114.58 122.78 3knh h GLU 21 Ca 0.09 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3knh h GLU 21 Cb 0.82 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3knh h GLU 21 CO 0.07 0.53 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.32 3knh h LEU 22 N 0.63 0.00 -0.39 1.33 -0.00 -0.91 -0.17 115.31 115.79 3knh h LEU 22 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3knh h LEU 22 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 3knh h LEU 22 CO -0.03 0.22 0.00 -3.20 -0.00 0.00 0.00 178.44 175.43 3knh n ASN 23 N -3.35 0.61 -4.03 -0.43 5.15 0.32 -0.26 115.26 113.26 3knh n ASN 23 Ca 0.00 -1.25 -0.35 0.00 -0.60 0.00 0.00 54.58 52.38 3knh n ASN 23 Cb 0.44 -0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.62 3knh n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3knh n ALA 24 N -0.50 3.87 0.00 5.20 0.00 0.99 -4.20 120.51 125.87 3knh n ALA 24 Ca 0.21 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 49.03 3knh n ALA 24 Cb 0.20 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3knh n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knh n LYS 25 N 2.10 0.00 -3.13 0.00 4.76 -1.26 -4.85 118.16 115.78 3knh n LYS 25 Ca 0.23 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.47 3knh n LYS 25 Cb 0.37 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.58 3knh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knh n GLY 26 N -0.55 -0.89 2.80 0.72 0.00 0.01 -5.03 105.19 102.25 3knh n GLY 26 Ca 0.00 1.06 -0.19 0.00 0.00 0.00 0.00 46.02 46.89 3knh n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knh n GLU 27 N -0.04 0.88 0.00 1.61 4.71 0.65 -5.00 120.64 123.44 3knh n GLU 27 Ca 0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 57.16 54.67 3knh n GLU 27 Cb 0.51 0.23 0.00 0.00 -1.01 0.00 0.00 31.44 31.17 3knh n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3knh n LYS 28 N -1.49 1.60 0.00 3.49 4.76 -1.26 -4.92 118.16 120.34 3knh n LYS 28 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3knh n LYS 28 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 3knh n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3knh n ARG 29 N 0.00 0.00 -1.50 1.97 -4.01 -1.26 -4.76 116.66 107.10 3knh n ARG 29 Ca 0.00 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.66 3knh n ARG 29 Cb 0.00 0.00 -0.12 0.00 -3.04 0.00 0.00 32.46 29.30 3knh n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3knh n LEU 30 N 0.00 0.40 -3.51 2.89 0.00 -1.26 -4.36 117.00 111.16 3knh n LEU 30 Ca 0.00 -1.33 -0.28 0.00 0.00 0.00 0.00 56.01 54.40 3knh n LEU 30 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 43.42 42.08 3knh n LEU 30 CO 0.00 -2.33 -0.26 -0.51 0.00 0.00 0.00 177.39 174.29 3knh s ILE 31 N 9.39 0.85 1.13 1.96 2.07 -1.26 -5.02 121.20 130.32 3knh s ILE 31 Ca 0.95 -2.84 -0.13 0.00 -1.41 0.00 0.00 60.65 57.23 3knh s ILE 31 Cb -0.33 -1.59 0.26 0.00 0.13 0.00 0.00 42.46 40.94 3knh s ILE 31 CO 0.24 -1.15 1.04 -0.54 -1.91 0.00 0.00 174.94 172.63 3knh s LYS 32 N -0.09 -0.61 0.00 3.50 1.02 -1.26 -1.54 119.74 120.76 3knh s LYS 32 Ca 0.29 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.98 3knh s LYS 32 Cb -0.02 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 3knh s LYS 32 CO -0.16 -3.48 0.00 -2.37 -0.92 0.00 0.00 175.35 168.42 3knh n THR 33 N -4.73 0.00 -0.60 2.17 5.66 -0.65 -4.76 114.28 111.38 3knh n THR 33 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3knh n THR 33 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 3knh n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3knh n TRP 34 N 0.05 0.00 -0.92 1.09 8.01 -1.26 -2.81 117.44 121.59 3knh n TRP 34 Ca 0.00 -0.12 -0.11 0.00 -1.31 0.00 0.00 57.50 55.96 3knh n TRP 34 Cb 0.00 -0.01 -0.15 0.00 -2.01 0.00 0.00 31.31 29.13 3knh n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3knh n SER 35 N -0.12 4.92 0.21 -0.99 3.41 -1.26 -4.42 113.62 115.37 3knh n SER 35 Ca 0.00 -2.42 0.05 0.00 -0.26 0.00 0.00 58.87 56.24 3knh n SER 35 Cb 0.30 -1.32 0.46 0.00 -0.26 0.00 0.00 64.21 63.39 3knh n SER 35 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3knh h ARG 36 N 3.12 0.00 -2.22 4.33 0.11 -1.91 -3.17 114.38 114.64 3knh h ARG 36 Ca 0.17 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.91 3knh h ARG 36 Cb 1.41 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.43 3knh h ARG 36 CO 0.24 0.24 0.65 2.89 0.10 0.00 0.00 179.97 184.10 3knh n ARG 37 N -4.21 2.49 -3.11 0.08 -4.01 -1.26 -3.13 116.66 103.51 3knh n ARG 37 Ca -0.02 -1.50 -0.11 0.00 -1.04 0.00 0.00 57.85 55.18 3knh n ARG 37 Cb 0.30 -2.20 -0.04 0.00 -3.04 0.00 0.00 32.46 27.48 3knh n ARG 37 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3knh n SER 38 N 2.48 0.23 -4.24 2.89 3.41 -1.20 -4.73 113.62 112.46 3knh n SER 38 Ca 0.52 -2.06 -0.29 0.00 -0.26 0.00 0.00 58.87 56.78 3knh n SER 38 Cb 0.71 0.68 -0.16 0.00 -0.26 0.00 0.00 64.21 65.19 3knh n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3knh s THR 39 N -2.51 1.83 -0.17 6.66 2.01 -1.26 -4.10 115.64 118.10 3knh s THR 39 Ca 0.16 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.91 3knh s THR 39 Cb 0.01 -1.54 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 3knh s THR 39 CO 0.11 0.51 2.18 -0.38 -0.69 0.00 0.00 174.62 176.35 3knh n ILE 40 N 2.83 0.43 -3.21 1.82 5.41 -1.21 -4.85 119.36 120.57 3knh n ILE 40 Ca -0.17 -0.40 -0.39 0.00 1.00 0.00 0.00 62.75 62.79 3knh n ILE 40 Cb 0.52 -2.52 -0.06 0.00 -0.71 0.00 0.00 39.64 36.87 3knh n ILE 40 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3knh s VAL 41 N 7.61 4.97 0.40 1.39 1.01 -1.26 -4.61 120.40 129.91 3knh s VAL 41 Ca 0.99 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 63.95 3knh s VAL 41 Cb -0.35 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 3knh s VAL 41 CO 0.37 0.39 0.83 -2.65 0.00 0.00 0.00 175.10 174.03 3knh n PRO 42 N 2.97 1.02 -1.19 2.72 -0.02 -1.26 -1.88 135.00 137.36 3knh n PRO 42 Ca -0.06 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 3knh n PRO 42 Cb 0.51 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3knh n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3knh n GLU 43 N 0.36 -1.42 -0.73 -0.52 0.00 -1.26 -4.75 120.64 112.31 3knh n GLU 43 Ca 0.11 0.67 -0.04 0.00 0.00 0.00 0.00 57.16 57.90 3knh n GLU 43 Cb 0.38 -4.87 0.22 0.00 0.00 0.00 0.00 31.44 27.17 3knh n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3knh n MET 44 N -0.90 2.95 -2.45 5.31 2.81 -0.79 -4.87 117.12 119.19 3knh n MET 44 Ca -0.07 -2.17 -0.32 0.00 -1.81 0.00 0.00 57.70 53.33 3knh n MET 44 Cb 0.46 -1.95 -0.04 0.00 -0.71 0.00 0.00 33.22 30.98 3knh n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3knh s VAL 45 N -2.27 4.48 0.00 2.03 -7.23 -1.26 -2.91 120.40 113.23 3knh s VAL 45 Ca 0.39 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.80 3knh s VAL 45 Cb 0.31 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.56 3knh s VAL 45 CO 0.10 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 3knh n GLY 46 N -1.41 2.68 3.56 2.32 0.00 -1.20 -4.91 105.19 106.23 3knh n GLY 46 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3knh n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3knh s HIS 47 N -0.82 2.26 -0.74 1.61 3.76 -1.15 -4.81 115.29 115.40 3knh s HIS 47 Ca 0.00 -0.27 -0.21 0.00 -0.15 0.00 0.00 55.06 54.43 3knh s HIS 47 Cb 0.00 -4.48 0.09 0.00 1.11 0.00 0.00 32.58 29.30 3knh s HIS 47 CO 0.00 -1.92 1.00 0.95 -0.85 0.00 0.00 174.74 173.92 3knh s THR 48 N 6.68 4.48 0.61 1.30 -4.23 -1.22 -4.54 115.64 118.72 3knh s THR 48 Ca 0.53 -0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 3knh s THR 48 Cb -0.03 -4.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.06 3knh s THR 48 CO -0.03 -1.46 1.03 -0.63 -0.54 0.00 0.00 174.62 172.99 3knh s ILE 49 N 3.56 4.56 -0.20 2.99 1.09 -0.94 -4.26 121.20 127.99 3knh s ILE 49 Ca 0.25 0.91 -0.05 0.00 -1.10 0.00 0.00 60.65 60.66 3knh s ILE 49 Cb -0.14 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 3knh s ILE 49 CO 0.04 -1.01 0.01 0.00 -0.10 0.00 0.00 174.94 173.87 3knh s ALA 50 N -3.04 3.07 -0.07 9.38 0.00 -0.59 -1.78 121.76 128.73 3knh s ALA 50 Ca 0.56 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.59 3knh s ALA 50 Cb -0.11 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 3knh s ALA 50 CO 0.50 -0.15 -0.22 0.08 0.00 0.00 0.00 175.76 175.97 3knh s VAL 51 N 0.99 1.83 -0.34 0.00 1.01 0.18 -1.64 120.40 122.43 3knh s VAL 51 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3knh s VAL 51 Cb -0.14 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3knh s VAL 51 CO 0.02 0.51 1.06 -0.47 0.00 0.00 0.00 175.10 176.22 3knh s TYR 52 N 0.15 3.12 -0.36 5.22 5.04 -1.12 0.13 117.35 129.52 3knh s TYR 52 Ca -0.10 1.11 0.04 0.00 -2.44 0.00 0.00 57.07 55.68 3knh s TYR 52 Cb -0.15 -3.74 0.38 0.00 0.35 0.00 0.00 41.96 38.80 3knh s TYR 52 CO 0.05 -0.81 1.37 0.27 -1.34 0.00 0.00 175.55 175.10 3knh n ASN 53 N 6.93 3.44 0.00 4.32 0.23 -0.81 -4.78 115.26 124.59 3knh n ASN 53 Ca 0.11 -2.73 0.00 0.00 -0.53 0.00 0.00 54.58 51.44 3knh n ASN 53 Cb 0.47 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 3knh n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3knh n GLY 54 N -0.12 3.03 0.37 4.83 0.00 -1.26 -4.68 105.19 107.35 3knh n GLY 54 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 3knh n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knh n LYS 55 N -2.00 0.40 -3.71 1.61 4.81 -1.26 -5.10 118.16 112.91 3knh n LYS 55 Ca 0.00 0.16 -0.06 0.00 -0.87 0.00 0.00 58.31 57.54 3knh n LYS 55 Cb 0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 35.03 33.85 3knh n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3knh s GLN 56 N -2.34 1.32 -0.64 1.64 -2.07 -1.26 -5.11 119.66 111.20 3knh s GLN 56 Ca -0.25 -0.68 -0.27 0.00 -1.82 0.00 0.00 55.36 52.34 3knh s GLN 56 Cb 0.09 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 3knh s GLN 56 CO 0.34 -0.60 1.57 -1.01 -1.32 0.00 0.00 175.29 174.27 3knh s HIS 57 N -3.50 2.00 0.19 9.60 3.76 -1.26 -1.92 115.29 124.17 3knh s HIS 57 Ca 0.09 0.43 -0.27 0.00 -0.15 0.00 0.00 55.06 55.16 3knh s HIS 57 Cb -0.03 -4.34 -0.08 0.00 1.11 0.00 0.00 32.58 29.24 3knh s HIS 57 CO 0.00 -2.18 0.85 0.14 -0.85 0.00 0.00 174.74 172.70 3knh s VAL 58 N 7.26 4.27 0.08 -0.90 -7.23 0.36 -4.65 120.40 119.59 3knh s VAL 58 Ca 0.53 1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 62.31 3knh s VAL 58 Cb -0.11 -4.22 -0.06 0.00 0.56 0.00 0.00 36.38 32.55 3knh s VAL 58 CO 0.20 0.50 0.81 -2.16 -0.31 0.00 0.00 175.10 174.14 3knh s PRO 59 N -1.06 4.56 -0.03 4.82 0.04 -1.26 -0.65 135.00 141.42 3knh s PRO 59 Ca 0.38 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 3knh s PRO 59 Cb -0.24 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 30.98 3knh s PRO 59 CO 0.29 0.32 0.05 0.54 0.04 0.00 0.00 177.00 178.24 3knh s VAL 60 N -0.24 -0.04 0.00 -0.36 0.11 -0.73 -4.98 120.40 114.15 3knh s VAL 60 Ca 0.40 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 3knh s VAL 60 Cb -0.22 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 3knh s VAL 60 CO 0.25 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 3knh n TYR 61 N 3.93 0.00 0.00 1.54 9.36 -1.26 -2.22 117.16 128.51 3knh n TYR 61 Ca -0.24 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.98 3knh n TYR 61 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 3knh n TYR 61 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 3knh n ILE 62 N 0.00 0.00 -4.37 2.97 0.13 -1.26 -3.38 119.36 113.44 3knh n ILE 62 Ca 0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.46 3knh n ILE 62 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.74 3knh n ILE 62 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 3knh n THR 63 N 0.00 0.00 -0.12 9.51 5.66 -1.26 -3.27 114.28 124.81 3knh n THR 63 Ca 0.00 -1.83 -0.10 0.00 -3.05 0.00 0.00 64.05 59.07 3knh n THR 63 Cb 0.00 0.67 -0.02 0.00 -1.55 0.00 0.00 70.33 69.43 3knh n THR 63 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 3knh h GLU 64 N 0.00 0.58 -0.99 1.09 4.11 -2.02 -3.02 114.58 114.32 3knh h GLU 64 Ca -0.24 -0.17 0.37 0.00 0.07 0.00 0.00 59.36 59.40 3knh h GLU 64 Cb 0.93 -0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.94 3knh h GLU 64 CO 0.38 0.67 0.44 -0.91 0.07 0.00 0.00 179.01 179.67 3knh h ASN 65 N 0.40 0.20 -3.53 3.06 4.21 -2.07 -3.26 115.58 114.59 3knh h ASN 65 Ca 0.10 0.25 -0.68 0.00 1.21 0.00 0.00 56.30 57.19 3knh h ASN 65 Cb 0.39 0.29 -0.17 0.00 -1.12 0.00 0.00 38.32 37.71 3knh h ASN 65 CO 0.01 -0.38 -0.05 0.00 -1.29 0.00 0.00 177.43 175.72 3knh s MET 66 N -5.64 3.17 0.17 0.81 0.23 -1.14 -4.89 119.30 112.01 3knh s MET 66 Ca -0.10 -0.63 0.00 0.00 -1.03 0.00 0.00 55.69 53.93 3knh s MET 66 Cb 0.32 -3.98 0.00 0.00 -1.53 0.00 0.00 34.83 29.65 3knh s MET 66 CO 0.78 -0.95 0.00 0.28 -2.03 0.00 0.00 175.02 173.10 3knh n VAL 67 N 5.62 0.59 0.05 5.16 0.31 -1.23 -4.63 118.33 124.19 3knh n VAL 67 Ca -0.05 0.19 -0.20 0.00 -0.01 0.00 0.00 64.34 64.27 3knh n VAL 67 Cb 0.47 -1.02 -0.12 0.00 -0.91 0.00 0.00 33.84 32.27 3knh n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3knh h GLY 68 N 0.00 0.67 -3.37 2.92 0.00 -1.90 -3.30 103.07 98.08 3knh h GLY 68 Ca 0.00 -1.27 -0.58 0.00 0.00 0.00 0.00 47.33 45.48 3knh h GLY 68 CO 0.00 1.12 -0.82 1.42 0.00 0.00 0.00 176.54 178.26 3knh n HIS 69 N -3.93 -1.97 -2.93 5.60 -0.00 -1.26 -4.32 115.22 106.41 3knh n HIS 69 Ca -0.12 0.39 -0.27 0.00 -0.00 0.00 0.00 57.72 57.72 3knh n HIS 69 Cb 0.87 -1.80 -0.01 0.00 -0.00 0.00 0.00 29.99 29.05 3knh n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3knh s LYS 70 N -1.77 3.57 0.27 -0.41 -0.14 -1.26 -3.35 119.74 116.65 3knh s LYS 70 Ca 0.61 0.08 0.00 0.00 -1.36 0.00 0.00 55.97 55.30 3knh s LYS 70 Cb -0.43 -2.48 0.55 0.00 -1.68 0.00 0.00 37.83 33.80 3knh s LYS 70 CO 0.62 -0.05 1.78 -0.07 -0.76 0.00 0.00 175.35 176.87 3knh h LEU 71 N 0.66 0.65 -0.85 3.17 3.38 -1.71 -1.70 115.31 118.91 3knh h LEU 71 Ca -0.48 0.08 0.19 0.00 0.09 0.00 0.00 57.88 57.76 3knh h LEU 71 Cb 1.20 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 3knh h LEU 71 CO 0.62 0.29 -0.11 1.23 0.09 0.00 0.00 178.44 180.56 3knh h GLY 72 N 0.73 0.78 0.90 0.83 0.00 -1.87 0.64 103.07 105.08 3knh h GLY 72 Ca 0.48 0.21 0.00 0.00 0.00 0.00 0.00 47.33 48.02 3knh h GLY 72 CO -0.34 -0.34 0.50 0.83 0.00 0.00 0.00 176.54 177.19 3knh h GLU 73 N 0.03 0.00 -1.65 4.80 5.08 -1.64 0.16 114.58 121.35 3knh h GLU 73 Ca 0.44 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 58.17 3knh h GLU 73 Cb 0.75 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.61 3knh h GLU 73 CO -0.82 0.00 -0.30 1.19 -1.00 0.00 0.00 179.01 178.08 3knh n PHE 74 N -2.45 3.33 0.00 4.33 3.72 0.22 -4.67 117.46 121.94 3knh n PHE 74 Ca -0.01 -2.95 0.00 0.00 -0.05 0.00 0.00 57.45 54.44 3knh n PHE 74 Cb 0.52 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3knh n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3knh n ALA 75 N -0.49 0.00 -1.72 4.37 0.00 0.54 -4.89 120.51 118.33 3knh n ALA 75 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 3knh n ALA 75 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 3knh n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3knh n PRO 76 N 0.00 2.29 -0.06 0.00 -0.04 -1.26 -4.81 135.00 131.12 3knh n PRO 76 Ca 0.00 0.80 -0.11 0.00 -0.04 0.00 0.00 63.50 64.16 3knh n PRO 76 Cb 0.00 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 30.91 3knh n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3knh h THR 77 N 2.78 1.36 -4.00 0.52 1.35 -1.91 -3.47 112.91 109.55 3knh h THR 77 Ca -0.47 -2.02 -0.47 0.00 -0.55 0.00 0.00 66.41 62.90 3knh h THR 77 Cb 1.27 2.57 0.02 0.00 -1.73 0.00 0.00 68.15 70.28 3knh h THR 77 CO 0.66 0.46 0.40 -0.13 -0.25 0.00 0.00 175.52 176.66 3knh s ARG 78 N -2.07 4.09 -0.20 4.72 0.52 -1.26 -5.00 118.95 119.75 3knh s ARG 78 Ca -0.14 1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 56.40 3knh s ARG 78 Cb -0.02 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 3knh s ARG 78 CO 0.52 -0.19 0.13 0.99 0.02 0.00 0.00 175.30 176.77 3knh s THR 79 N -1.78 5.35 0.00 0.02 2.01 -1.26 -4.58 115.64 115.40 3knh s THR 79 Ca 0.60 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.77 3knh s THR 79 Cb -0.19 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3knh s THR 79 CO 0.24 0.43 0.00 0.00 -0.69 0.00 0.00 174.62 174.60 3knh n TYR 80 N 3.59 0.00 -1.84 4.92 9.36 -1.26 -5.08 117.16 126.85 3knh n TYR 80 Ca -0.16 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.68 3knh n TYR 80 Cb 0.52 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.20 3knh n TYR 80 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3knh s ARG 81 N 0.62 2.44 0.00 2.98 1.81 -1.26 -5.28 118.95 120.26 3knh s ARG 81 Ca 0.00 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 54.98 3knh s ARG 81 Cb 0.00 -4.46 0.00 0.00 -0.45 0.00 0.00 34.95 30.04 3knh s ARG 81 CO 0.00 -2.92 0.00 0.41 -0.68 0.00 0.00 175.30 172.11