#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kan n GLY 2 N 0.00 0.21 3.54 3.03 0.00 -1.26 -4.99 105.19 105.72 2kan n GLY 2 Ca 0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2kan n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kan s HIS 3 N 0.00 2.48 -1.21 1.61 4.02 -1.26 -4.94 115.29 115.99 2kan s HIS 3 Ca 0.00 0.01 -0.19 0.00 1.02 0.00 0.00 55.06 55.90 2kan s HIS 3 Cb 0.00 -4.49 0.07 0.00 -1.02 0.00 0.00 32.58 27.14 2kan s HIS 3 CO 0.00 -1.80 1.63 -3.38 1.02 0.00 0.00 174.74 172.20 2kan s HIS 4 N 5.09 2.77 -0.26 1.40 0.00 -1.26 -4.76 115.29 118.28 2kan s HIS 4 Ca 0.35 -1.45 0.02 0.00 -3.00 0.00 0.00 55.06 50.98 2kan s HIS 4 Cb -0.10 -4.70 0.36 0.00 -4.00 0.00 0.00 32.58 24.15 2kan s HIS 4 CO 0.18 -1.81 1.48 1.58 -1.00 0.00 0.00 174.74 175.17 2kan n HIS 5 N 8.29 1.63 -2.62 0.38 -0.00 -1.26 -4.87 115.22 116.77 2kan n HIS 5 Ca 0.43 -1.19 -0.41 0.00 -0.00 0.00 0.00 57.72 56.55 2kan n HIS 5 Cb 0.47 -0.61 -0.03 0.00 -0.00 0.00 0.00 29.99 29.82 2kan n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 6 N -1.78 2.38 -0.15 1.57 2.46 -1.26 -4.99 115.29 113.52 2kan s HIS 6 Ca 0.31 -0.20 -0.07 0.00 0.47 0.00 0.00 55.06 55.56 2kan s HIS 6 Cb 0.26 -4.56 -0.04 0.00 -0.13 0.00 0.00 32.58 28.10 2kan s HIS 6 CO 0.06 -1.98 0.11 -1.58 -2.47 0.00 0.00 174.74 168.88 2kan s HIS 7 N 5.33 3.44 -0.53 3.88 5.04 -1.26 -5.05 115.29 126.14 2kan s HIS 7 Ca 0.33 0.36 -0.28 0.00 -1.54 0.00 0.00 55.06 53.92 2kan s HIS 7 Cb -0.09 -2.00 0.02 0.00 0.04 0.00 0.00 32.58 30.54 2kan s HIS 7 CO 0.13 0.49 1.35 -1.58 -2.34 0.00 0.00 174.74 172.79 2kan s HIS 8 N -0.41 2.41 0.69 3.88 2.46 -1.26 -5.00 115.29 118.05 2kan s HIS 8 Ca 0.11 0.52 -0.06 0.00 0.47 0.00 0.00 55.06 56.10 2kan s HIS 8 Cb -0.12 -4.40 0.06 0.00 -0.13 0.00 0.00 32.58 27.99 2kan s HIS 8 CO 0.02 -1.85 0.99 0.45 -2.47 0.00 0.00 174.74 171.88 2kan s SER 9 N 3.92 4.86 0.00 9.88 0.15 -1.26 -4.96 113.70 126.28 2kan s SER 9 Ca 0.52 0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.87 2kan s SER 9 Cb -0.10 -1.09 1.72 0.00 -1.71 0.00 0.00 66.02 64.84 2kan s SER 9 CO 0.27 -1.56 2.10 1.41 1.20 0.00 0.00 173.24 176.67 2kan n HIS 10 N -2.87 0.00 -1.07 3.44 8.25 -1.26 -4.87 115.22 116.84 2kan n HIS 10 Ca 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.52 2kan n HIS 10 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 2kan n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kan n ALA 11 N -0.96 -0.04 -1.52 -1.41 0.00 -1.26 -4.87 120.51 110.46 2kan n ALA 11 Ca 0.22 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 2kan n ALA 11 Cb 0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 2kan n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kan n ALA 12 N 1.04 6.97 -1.77 0.00 0.00 -1.26 -4.96 120.51 120.53 2kan n ALA 12 Ca -0.02 -3.37 -0.41 0.00 0.00 0.00 0.00 53.44 49.63 2kan n ALA 12 Cb 0.32 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2kan n ALA 12 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kan n VAL 13 N 2.38 2.06 -3.57 0.00 0.24 -1.26 -4.99 118.33 113.19 2kan n VAL 13 Ca 0.63 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 62.14 2kan n VAL 13 Cb 0.39 -1.93 -0.14 0.00 -1.47 0.00 0.00 33.84 30.70 2kan n VAL 13 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2kan s ARG 14 N -2.11 0.57 0.75 7.34 1.81 -1.26 -5.11 118.95 120.94 2kan s ARG 14 Ca 0.54 -1.13 -0.15 0.00 -1.72 0.00 0.00 55.73 53.27 2kan s ARG 14 Cb -0.48 -1.53 0.05 0.00 -0.45 0.00 0.00 34.95 32.54 2kan s ARG 14 CO 0.63 -1.10 1.22 0.15 -0.68 0.00 0.00 175.30 175.51 2kan s LYS 15 N 1.39 2.00 0.17 3.54 3.01 -1.26 -4.03 119.74 124.55 2kan s LYS 15 Ca 0.14 1.79 0.07 0.00 -1.01 0.00 0.00 55.97 56.96 2kan s LYS 15 Cb -0.20 -1.81 -0.04 0.00 -1.01 0.00 0.00 37.83 34.77 2kan s LYS 15 CO -0.16 -1.95 0.00 0.96 0.51 0.00 0.00 175.35 174.72 2kan s ILE 16 N -1.98 3.77 -1.00 2.17 -4.36 0.20 -4.91 121.20 115.10 2kan s ILE 16 Ca 0.75 -1.38 -0.12 0.00 -0.26 0.00 0.00 60.65 59.64 2kan s ILE 16 Cb -0.30 -2.89 0.23 0.00 1.25 0.00 0.00 42.46 40.76 2kan s ILE 16 CO 0.47 -0.09 1.01 -2.28 0.24 0.00 0.00 174.94 174.29 2kan s HIS 17 N -1.69 3.90 0.15 1.37 2.46 -1.26 -2.41 115.29 117.80 2kan s HIS 17 Ca 0.27 -2.25 -0.26 0.00 0.47 0.00 0.00 55.06 53.29 2kan s HIS 17 Cb -0.09 -3.92 -0.07 0.00 -0.13 0.00 0.00 32.58 28.36 2kan s HIS 17 CO 0.19 -1.06 0.81 0.14 -2.47 0.00 0.00 174.74 172.35 2kan s VAL 18 N -0.07 4.41 -0.43 0.89 -7.23 -0.81 -3.98 120.40 113.18 2kan s VAL 18 Ca 0.27 1.77 -0.19 0.00 -1.81 0.00 0.00 61.98 62.03 2kan s VAL 18 Cb -0.09 -4.18 0.02 0.00 0.56 0.00 0.00 36.38 32.70 2kan s VAL 18 CO -0.08 0.47 0.52 -0.89 -0.31 0.00 0.00 175.10 174.81 2kan s THR 19 N -0.83 4.99 -0.37 5.32 2.01 0.08 -1.28 115.64 125.55 2kan s THR 19 Ca 0.38 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.99 2kan s THR 19 Cb -0.23 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.19 2kan s THR 19 CO 0.27 -0.49 0.78 -0.69 -0.69 0.00 0.00 174.62 173.80 2kan s VAL 20 N 2.40 4.72 -0.54 3.82 1.01 0.60 0.15 120.40 132.57 2kan s VAL 20 Ca 0.16 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 2kan s VAL 20 Cb -0.16 -4.22 0.13 0.00 0.00 0.00 0.00 36.38 32.13 2kan s VAL 20 CO 0.16 -0.46 0.47 -0.54 0.00 0.00 0.00 175.10 174.72 2kan s LYS 21 N 3.12 2.86 0.07 2.72 1.02 0.11 -1.93 119.74 127.71 2kan s LYS 21 Ca 0.31 -1.79 -0.00 0.00 0.02 0.00 0.00 55.97 54.51 2kan s LYS 21 Cb -0.13 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 2kan s LYS 21 CO 0.17 -1.28 0.23 -0.06 -0.92 0.00 0.00 175.35 173.49 2kan s PHE 22 N 1.41 3.52 0.60 3.18 0.08 -0.38 -0.34 117.98 126.04 2kan s PHE 22 Ca 0.05 0.28 0.30 0.00 0.12 0.00 0.00 56.93 57.68 2kan s PHE 22 Cb -0.27 -1.78 1.83 0.00 -0.57 0.00 0.00 43.02 42.22 2kan s PHE 22 CO 0.01 0.58 2.23 -1.35 -0.10 0.00 0.00 175.22 176.58 2kan h PRO 23 N 3.06 0.00 0.00 0.24 0.11 -1.98 -3.19 132.00 130.24 2kan h PRO 23 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kan h PRO 23 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kan h PRO 23 CO 0.76 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 179.20 2kan h SER 24 N 0.00 0.00 -5.13 -2.05 4.64 -1.96 -3.50 113.55 105.55 2kan h SER 24 Ca 0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.92 2kan h SER 24 Cb 0.11 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.06 2kan h SER 24 CO -0.00 0.06 -0.54 -1.59 -0.87 0.00 0.00 176.83 173.89 2kan s LYS 25 N -1.06 1.62 -0.08 4.77 -2.85 -1.21 -5.16 119.74 115.77 2kan s LYS 25 Ca -0.00 -1.93 0.04 0.00 -1.00 0.00 0.00 55.97 53.08 2kan s LYS 25 Cb 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2kan s LYS 25 CO 0.00 -0.51 -0.21 -1.14 0.10 0.00 0.00 175.35 173.58 2kan s GLN 26 N -3.73 2.61 0.00 1.78 0.74 -1.26 -1.25 119.66 118.55 2kan s GLN 26 Ca 0.37 -0.78 -0.12 0.00 0.05 0.00 0.00 55.36 54.89 2kan s GLN 26 Cb 0.04 -2.05 0.01 0.00 1.10 0.00 0.00 33.01 32.12 2kan s GLN 26 CO 0.20 0.19 0.24 -0.59 -0.55 0.00 0.00 175.29 174.78 2kan s PHE 27 N 0.29 -0.07 -0.14 1.67 -0.71 -0.81 -5.02 117.98 113.19 2kan s PHE 27 Ca -0.14 0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 55.73 2kan s PHE 27 Cb -0.16 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 2kan s PHE 27 CO 0.07 -0.38 0.07 0.99 -1.34 0.00 0.00 175.22 174.63 2kan s THR 28 N -1.63 4.87 0.04 -4.49 2.01 -1.26 -0.29 115.64 114.89 2kan s THR 28 Ca -0.12 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 61.93 2kan s THR 28 Cb -0.05 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2kan s THR 28 CO 0.02 0.55 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.59 2kan s VAL 29 N -0.42 1.73 -0.51 3.82 1.01 -0.41 -4.96 120.40 120.66 2kan s VAL 29 Ca 0.10 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 2kan s VAL 29 Cb -0.12 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.81 2kan s VAL 29 CO 0.02 0.26 0.72 -1.61 0.00 0.00 0.00 175.10 174.49 2kan s GLU 30 N -1.10 3.21 0.10 2.72 2.02 -1.26 -1.92 118.70 122.47 2kan s GLU 30 Ca 0.08 -0.61 0.09 0.00 0.02 0.00 0.00 54.97 54.55 2kan s GLU 30 Cb -0.09 -4.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 2kan s GLU 30 CO 0.01 -1.26 -0.23 0.14 0.02 0.00 0.00 175.26 173.94 2kan s VAL 31 N 3.05 1.91 0.81 2.63 -7.23 -1.01 -4.90 120.40 115.65 2kan s VAL 31 Ca 0.21 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 2kan s VAL 31 Cb -0.16 -1.70 0.07 0.00 0.56 0.00 0.00 36.38 35.15 2kan s VAL 31 CO 0.15 0.05 1.09 -0.62 -0.31 0.00 0.00 175.10 175.46 2kan s ASP 32 N -1.82 4.38 0.39 4.85 2.15 -1.26 0.60 116.67 125.96 2kan s ASP 32 Ca 0.09 1.40 0.21 0.00 0.43 0.00 0.00 52.55 54.68 2kan s ASP 32 Cb -0.10 -2.13 0.61 0.00 -0.30 0.00 0.00 42.92 41.00 2kan s ASP 32 CO 0.04 -2.05 1.69 0.03 -0.17 0.00 0.00 175.17 174.71 2kan h ARG 33 N -1.14 0.00 -0.65 4.34 3.08 -1.91 -2.49 114.38 115.60 2kan h ARG 33 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2kan h ARG 33 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2kan h ARG 33 CO 0.58 0.29 0.00 0.25 -1.07 0.00 0.00 179.97 180.02 2kan n THR 34 N -3.32 1.46 -1.80 2.04 -2.24 -1.26 -0.87 114.28 108.30 2kan n THR 34 Ca 0.01 -1.01 -0.39 0.00 -2.27 0.00 0.00 64.05 60.38 2kan n THR 34 Cb 0.53 0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.95 2kan n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kan s GLU 35 N -1.65 3.53 0.43 -0.78 2.56 -0.94 -4.68 118.70 117.18 2kan s GLU 35 Ca 0.46 2.36 -0.05 0.00 0.00 0.00 0.00 54.97 57.74 2kan s GLU 35 Cb 0.28 -2.54 -0.04 0.00 2.00 0.00 0.00 34.13 33.83 2kan s GLU 35 CO 0.24 -0.93 0.73 0.95 -0.56 0.00 0.00 175.26 175.69 2kan s THR 36 N -1.23 4.94 0.33 -1.70 -4.23 -1.26 -0.65 115.64 111.84 2kan s THR 36 Ca 0.64 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 2kan s THR 36 Cb -0.43 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 69.84 2kan s THR 36 CO 0.54 -0.72 1.99 0.58 -0.54 0.00 0.00 174.62 176.46 2kan h VAL 37 N 0.50 1.15 -0.48 2.29 2.07 -0.85 0.13 116.25 121.07 2kan h VAL 37 Ca -0.47 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2kan h VAL 37 Cb 1.20 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2kan h VAL 37 CO 0.62 0.17 0.21 0.28 0.02 0.00 0.00 177.57 178.88 2kan h SER 38 N 0.94 0.64 1.61 0.57 0.02 -1.78 -2.05 113.55 113.50 2kan h SER 38 Ca 0.27 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2kan h SER 38 Cb -0.05 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2kan h SER 38 CO -0.07 0.61 -0.31 0.28 -1.14 0.00 0.00 176.83 176.20 2kan h SER 39 N 0.63 0.00 -0.11 3.07 0.02 -1.73 -0.79 113.55 114.64 2kan h SER 39 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2kan h SER 39 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2kan h SER 39 CO -0.02 0.31 0.03 0.25 -1.14 0.00 0.00 176.83 176.27 2kan h LEU 40 N 0.00 0.17 -1.08 5.07 5.85 -0.57 0.81 115.31 125.56 2kan h LEU 40 Ca -0.00 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 2kan h LEU 40 Cb 1.20 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2kan h LEU 40 CO 0.04 0.34 -0.28 0.11 -0.34 0.00 0.00 178.44 178.31 2kan h LYS 41 N -0.02 0.31 -0.36 1.25 1.57 -1.23 -1.95 116.57 116.14 2kan h LYS 41 Ca 0.04 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2kan h LYS 41 Cb 0.23 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2kan h LYS 41 CO -0.00 0.57 0.13 0.22 -0.57 0.00 0.00 179.45 179.80 2kan h ASP 42 N 0.27 0.51 -0.31 0.86 3.58 -0.93 0.40 116.42 120.79 2kan h ASP 42 Ca 0.04 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.36 2kan h ASP 42 Cb 0.64 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 2kan h ASP 42 CO 0.05 0.55 0.02 0.50 -2.88 0.00 0.00 179.24 177.47 2kan h LYS 43 N 0.44 0.11 -0.69 0.28 1.63 -0.53 -2.09 116.57 115.72 2kan h LYS 43 Ca 0.12 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2kan h LYS 43 Cb 0.21 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 2kan h LYS 43 CO -0.01 0.07 0.35 0.82 -3.45 0.00 0.00 179.45 177.23 2kan h ILE 44 N 0.11 1.22 -0.07 2.00 2.04 -1.11 -2.61 117.51 119.10 2kan h ILE 44 Ca 0.15 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2kan h ILE 44 Cb 0.19 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2kan h ILE 44 CO -0.24 0.26 -0.09 -0.74 0.00 0.00 0.00 178.15 177.34 2kan h HIS 45 N 0.95 0.10 -0.16 1.37 2.76 -0.43 0.32 115.15 120.07 2kan h HIS 45 Ca 0.24 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2kan h HIS 45 Cb 0.10 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 2kan h HIS 45 CO 0.00 0.20 -0.38 0.82 -1.30 0.00 0.00 177.93 177.27 2kan h ILE 46 N 0.10 1.30 0.00 6.26 2.04 -1.00 -3.29 117.51 122.92 2kan h ILE 46 Ca 0.02 -1.47 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 2kan h ILE 46 Cb 0.23 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2kan h ILE 46 CO 0.01 0.45 -0.60 0.58 0.00 0.00 0.00 178.15 178.59 2kan h VAL 47 N 0.29 1.11 -3.43 1.67 2.07 -1.25 -3.48 116.25 113.23 2kan h VAL 47 Ca 0.03 -2.05 -0.23 0.00 0.82 0.00 0.00 66.70 65.27 2kan h VAL 47 Cb 0.80 2.31 0.08 0.00 -1.52 0.00 0.00 31.29 32.95 2kan h VAL 47 CO 0.06 0.38 0.17 1.21 0.02 0.00 0.00 177.57 179.41 2kan n GLU 48 N -4.55 -0.40 -0.00 1.57 0.00 0.11 -5.03 120.64 112.34 2kan n GLU 48 Ca -0.19 -1.19 0.05 0.00 0.00 0.00 0.00 57.16 55.83 2kan n GLU 48 Cb 0.51 -0.61 -0.08 0.00 0.00 0.00 0.00 31.44 31.27 2kan n GLU 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2kan n ASN 49 N -3.30 2.36 -4.69 4.31 5.15 -1.26 -4.76 115.26 113.07 2kan n ASN 49 Ca 0.09 -0.09 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 2kan n ASN 49 Cb 0.31 1.42 -0.03 0.00 -0.53 0.00 0.00 39.78 40.95 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kan s THR 50 N -2.63 3.30 0.58 -0.44 2.01 -1.26 -4.98 115.64 112.20 2kan s THR 50 Ca -0.03 0.75 -0.20 0.00 0.31 0.00 0.00 61.69 62.52 2kan s THR 50 Cb 0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2kan s THR 50 CO 0.43 0.00 1.23 -2.65 -0.69 0.00 0.00 174.62 172.95 2kan n PRO 51 N 5.33 1.36 -0.23 4.92 -0.02 -1.26 -4.64 135.00 140.45 2kan n PRO 51 Ca 0.14 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.14 2kan n PRO 51 Cb 0.42 -2.44 0.24 0.00 -0.02 0.00 0.00 33.50 31.70 2kan n PRO 51 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2kan h ILE 52 N 1.01 1.18 0.00 4.25 2.04 -1.91 -2.00 117.51 122.08 2kan h ILE 52 Ca -0.50 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2kan h ILE 52 Cb 1.33 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2kan h ILE 52 CO 0.55 0.19 -0.02 0.11 0.00 0.00 0.00 178.15 178.97 2kan h LYS 53 N 1.02 0.00 0.00 2.37 1.57 -1.99 -2.79 116.57 116.75 2kan h LYS 53 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2kan h LYS 53 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2kan h LYS 53 CO -0.07 0.02 -1.36 0.54 -0.57 0.00 0.00 179.45 178.01 2kan n ARG 54 N -3.24 0.38 -4.95 3.15 3.00 -0.76 -4.92 116.66 109.32 2kan n ARG 54 Ca -0.02 -0.06 -0.32 0.00 -0.01 0.00 0.00 57.85 57.43 2kan n ARG 54 Cb 0.17 -1.56 -0.14 0.00 0.00 0.00 0.00 32.46 30.93 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kan s MET 55 N -3.28 2.63 0.07 5.56 0.23 -1.06 -2.30 119.30 121.16 2kan s MET 55 Ca 0.00 -0.74 0.09 0.00 -1.03 0.00 0.00 55.69 54.02 2kan s MET 55 Cb 0.14 -2.37 -0.03 0.00 -1.53 0.00 0.00 34.83 31.04 2kan s MET 55 CO 0.85 0.52 -0.25 -1.14 -2.03 0.00 0.00 175.02 172.98 2kan s GLN 56 N -0.47 1.54 -0.06 3.16 0.74 -0.25 -4.91 119.66 119.41 2kan s GLN 56 Ca 0.06 -1.15 -0.18 0.00 0.05 0.00 0.00 55.36 54.14 2kan s GLN 56 Cb -0.12 -1.80 -0.05 0.00 1.10 0.00 0.00 33.01 32.14 2kan s GLN 56 CO 0.02 0.45 0.49 -0.51 -0.55 0.00 0.00 175.29 175.19 2kan s LEU 57 N -1.53 4.36 -0.09 3.68 1.43 -1.26 -1.53 118.68 123.74 2kan s LEU 57 Ca 0.11 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 2kan s LEU 57 Cb -0.10 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.40 2kan s LEU 57 CO 0.03 0.10 -0.16 -0.31 0.23 0.00 0.00 176.35 176.24 2kan s TYR 58 N 0.03 1.94 -0.17 0.29 1.51 0.38 0.48 117.35 121.80 2kan s TYR 58 Ca 0.27 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2kan s TYR 58 Cb -0.16 -1.38 0.05 0.00 -0.11 0.00 0.00 41.96 40.36 2kan s TYR 58 CO 0.13 -0.41 -0.03 -0.47 -1.11 0.00 0.00 175.55 173.66 2kan s TYR 59 N 0.78 1.51 -1.68 2.71 5.04 0.11 0.03 117.35 125.85 2kan s TYR 59 Ca -0.11 -1.00 -0.02 0.00 -2.44 0.00 0.00 57.07 53.50 2kan s TYR 59 Cb -0.16 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 40.93 2kan s TYR 59 CO 0.02 -0.60 0.28 0.43 -1.34 0.00 0.00 175.55 174.34 2kan n SER 60 N 4.92 -6.02 0.00 4.32 7.64 -1.26 -0.86 113.62 122.36 2kan n SER 60 Ca -0.11 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2kan n SER 60 Cb 0.48 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kan n GLY 61 N -1.25 0.98 3.47 0.23 0.00 -1.26 -5.03 105.19 102.33 2kan n GLY 61 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2kan n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kan s ILE 62 N -2.93 4.33 0.05 -0.61 1.01 -0.04 -5.08 121.20 117.93 2kan s ILE 62 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.20 2kan s ILE 62 Cb 0.00 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2kan s ILE 62 CO 0.00 0.36 0.90 -1.83 0.00 0.00 0.00 174.94 174.37 2kan s GLU 63 N 1.39 4.59 -1.09 2.79 -1.05 -1.26 0.09 118.70 124.16 2kan s GLU 63 Ca 0.05 1.30 -0.17 0.00 -0.15 0.00 0.00 54.97 56.00 2kan s GLU 63 Cb -0.15 -3.40 0.13 0.00 -0.44 0.00 0.00 34.13 30.27 2kan s GLU 63 CO 0.03 0.15 1.36 -0.51 0.95 0.00 0.00 175.26 177.24 2kan s LEU 64 N 0.33 4.67 -0.04 1.83 1.43 0.18 -4.77 118.68 122.31 2kan s LEU 64 Ca 0.45 -2.36 -0.01 0.00 -1.03 0.00 0.00 54.13 51.19 2kan s LEU 64 Cb -0.22 -2.45 -0.26 0.00 0.03 0.00 0.00 46.19 43.29 2kan s LEU 64 CO 0.27 -1.03 0.67 0.00 0.23 0.00 0.00 176.35 176.49 2kan h ALA 65 N 8.20 0.43 -1.78 4.21 0.00 -1.93 -3.39 119.26 124.98 2kan h ALA 65 Ca 0.26 -1.27 -0.56 0.00 0.00 0.00 0.00 54.91 53.34 2kan h ALA 65 Cb 0.95 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2kan h ALA 65 CO 1.25 1.28 0.94 -0.51 0.00 0.00 0.00 179.25 182.21 2kan s ASP 66 N -6.81 6.64 0.20 0.00 1.01 -1.26 -4.91 116.67 111.54 2kan s ASP 66 Ca -0.12 0.67 -0.08 0.00 0.71 0.00 0.00 52.55 53.72 2kan s ASP 66 Cb 0.07 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.58 2kan s ASP 66 CO 0.82 -1.21 1.75 0.44 0.21 0.00 0.00 175.17 177.17 2kan h ASP 67 N 9.29 1.07 0.37 0.27 5.19 -1.94 -2.87 116.42 127.80 2kan h ASP 67 Ca -0.24 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2kan h ASP 67 Cb 1.07 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.30 2kan h ASP 67 CO 1.10 0.99 0.00 0.00 -3.12 0.00 0.00 179.24 178.21 2kan n TYR 68 N -4.28 0.00 -2.21 4.55 0.18 -1.26 -2.69 117.16 111.46 2kan n TYR 68 Ca 0.06 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.52 2kan n TYR 68 Cb 0.22 -0.35 -0.02 0.00 -0.38 0.00 0.00 39.34 38.81 2kan n TYR 68 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2kan s ARG 69 N -2.69 3.78 0.21 -3.48 1.81 -1.08 -4.86 118.95 112.63 2kan s ARG 69 Ca 0.13 0.93 0.05 0.00 -1.72 0.00 0.00 55.73 55.12 2kan s ARG 69 Cb 0.11 -2.11 -0.03 0.00 -0.45 0.00 0.00 34.95 32.46 2kan s ARG 69 CO 0.26 -0.42 0.24 -0.80 -0.68 0.00 0.00 175.30 173.90 2kan s ASN 70 N -3.34 5.85 0.32 0.23 -0.87 -1.26 -0.91 114.94 114.96 2kan s ASN 70 Ca 0.58 -0.08 0.06 0.00 -1.57 0.00 0.00 52.86 51.86 2kan s ASN 70 Cb -0.11 -1.61 0.55 0.00 -0.02 0.00 0.00 41.25 40.07 2kan s ASN 70 CO 0.38 -0.01 1.78 -0.07 -2.57 0.00 0.00 177.10 176.62 2kan h LEU 71 N 1.71 0.31 -1.51 0.60 3.38 -0.94 -2.02 115.31 116.84 2kan h LEU 71 Ca -0.49 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 2kan h LEU 71 Cb 1.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2kan h LEU 71 CO 0.63 0.58 -0.25 -0.55 0.09 0.00 0.00 178.44 178.94 2kan h ASN 72 N 0.28 0.00 -0.19 -0.43 -1.07 -1.27 -1.22 115.58 111.68 2kan h ASN 72 Ca 0.04 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.35 2kan h ASN 72 Cb 0.61 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.85 2kan h ASN 72 CO 0.04 0.25 -0.07 -0.33 0.07 0.00 0.00 177.43 177.39 2kan h GLU 73 N 0.00 0.54 0.00 4.14 4.39 -1.65 -2.61 114.58 119.38 2kan h GLU 73 Ca -0.00 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2kan h GLU 73 Cb 0.51 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kan h GLU 73 CO 0.03 0.62 -0.85 1.88 -1.16 0.00 0.00 179.01 179.53 2kan h TYR 74 N 0.50 0.00 -0.46 4.33 0.05 -1.44 -3.48 116.97 116.47 2kan h TYR 74 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2kan h TYR 74 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2kan h TYR 74 CO 0.02 0.23 0.00 0.41 -1.05 0.00 0.00 178.16 177.76 2kan n GLY 75 N 1.23 0.94 3.73 3.88 0.00 -0.56 -5.07 105.19 109.34 2kan n GLY 75 Ca -0.01 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2kan n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kan s ILE 76 N -2.37 5.05 0.15 -0.61 1.01 -0.62 -5.02 121.20 118.79 2kan s ILE 76 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2kan s ILE 76 Cb 0.00 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 2kan s ILE 76 CO 0.00 0.30 0.01 1.07 0.00 0.00 0.00 174.94 176.32 2kan n THR 77 N 3.55 0.00 0.81 2.92 5.66 -1.26 -4.69 114.28 121.26 2kan n THR 77 Ca -0.04 -0.74 -0.02 0.00 -3.05 0.00 0.00 64.05 60.21 2kan n THR 77 Cb 0.51 0.16 0.02 0.00 -1.55 0.00 0.00 70.33 69.47 2kan n THR 77 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2kan n GLU 78 N -0.37 1.16 -1.01 1.09 0.00 -1.26 -2.88 120.64 117.36 2kan n GLU 78 Ca -0.06 -0.27 0.02 0.00 0.00 0.00 0.00 57.16 56.85 2kan n GLU 78 Cb 0.20 -1.20 0.01 0.00 0.00 0.00 0.00 31.44 30.44 2kan n GLU 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2kan n PHE 79 N 0.29 0.00 -3.45 -1.84 3.72 -1.26 -4.20 117.46 110.73 2kan n PHE 79 Ca 0.05 -0.26 -0.38 0.00 -0.05 0.00 0.00 57.45 56.81 2kan n PHE 79 Cb 0.55 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.96 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kan s SER 80 N -1.47 6.85 -0.57 4.37 1.04 -1.14 -4.97 113.70 117.82 2kan s SER 80 Ca 0.17 1.02 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 2kan s SER 80 Cb 0.19 -2.27 0.14 0.00 0.10 0.00 0.00 66.02 64.18 2kan s SER 80 CO -0.08 0.28 0.50 -1.61 0.98 0.00 0.00 173.24 173.31 2kan s GLU 81 N -1.25 2.95 -0.70 4.02 2.02 -1.26 -0.74 118.70 123.74 2kan s GLU 81 Ca 0.27 -1.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.17 2kan s GLU 81 Cb -0.17 -4.22 0.05 0.00 0.10 0.00 0.00 34.13 29.89 2kan s GLU 81 CO 0.16 -1.29 1.11 0.42 0.02 0.00 0.00 175.26 175.67 2kan s ILE 82 N 1.32 4.06 -0.34 -1.63 -1.09 0.12 -4.44 121.20 119.20 2kan s ILE 82 Ca 0.06 -0.03 -0.24 0.00 -2.23 0.00 0.00 60.65 58.20 2kan s ILE 82 Cb -0.26 -4.79 0.01 0.00 -1.58 0.00 0.00 42.46 35.83 2kan s ILE 82 CO 0.00 -1.64 0.85 -0.69 -1.23 0.00 0.00 174.94 172.23 2kan s VAL 83 N 4.80 4.70 -0.38 2.92 1.01 0.10 0.07 120.40 133.62 2kan s VAL 83 Ca 0.28 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 63.19 2kan s VAL 83 Cb -0.13 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2kan s VAL 83 CO 0.12 -0.40 0.66 -0.69 0.00 0.00 0.00 175.10 174.78 2kan s VAL 84 N 3.20 4.85 -0.19 2.92 1.01 0.53 -0.47 120.40 132.24 2kan s VAL 84 Ca 0.35 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 2kan s VAL 84 Cb -0.13 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2kan s VAL 84 CO 0.16 -0.41 0.08 -0.36 0.00 0.00 0.00 175.10 174.57 2kan s PHE 85 N 2.80 3.28 -0.26 5.22 0.08 -0.58 -4.37 117.98 124.15 2kan s PHE 85 Ca 0.25 0.11 -0.11 0.00 0.12 0.00 0.00 56.93 57.30 2kan s PHE 85 Cb -0.14 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 2kan s PHE 85 CO 0.16 0.15 0.19 -0.51 -0.10 0.00 0.00 175.22 175.11 2kan s LEU 86 N 0.47 4.08 -0.65 -0.37 1.43 -1.26 -1.09 118.68 121.29 2kan s LEU 86 Ca 0.04 0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.96 2kan s LEU 86 Cb -0.12 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2kan s LEU 86 CO 0.00 0.01 1.59 -0.54 0.23 0.00 0.00 176.35 177.64 2kan s LYS 87 N 1.38 2.92 -0.11 1.70 -0.14 -0.97 -4.86 119.74 119.66 2kan s LYS 87 Ca 0.08 0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 54.95 2kan s LYS 87 Cb -0.15 -4.28 -0.01 0.00 -1.68 0.00 0.00 37.83 31.71 2kan s LYS 87 CO 0.07 -2.42 2.43 0.43 -0.76 0.00 0.00 175.35 175.11 2kan n SER 88 N 11.12 5.66 0.25 2.83 7.64 -1.26 -3.97 113.62 135.88 2kan n SER 88 Ca 0.13 -2.63 0.13 0.00 1.01 0.00 0.00 58.87 57.50 2kan n SER 88 Cb 0.51 -1.19 0.58 0.00 -1.01 0.00 0.00 64.21 63.10 2kan n SER 88 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2kan h ILE 89 N 1.31 0.39 -3.28 0.44 3.07 -1.99 -3.22 117.51 114.23 2kan h ILE 89 Ca 0.14 -0.84 -0.66 0.00 1.55 0.00 0.00 64.86 65.05 2kan h ILE 89 Cb 1.07 1.61 -0.39 0.00 -0.27 0.00 0.00 36.82 38.85 2kan h ILE 89 CO 0.29 0.14 -0.40 0.21 -1.05 0.00 0.00 178.15 177.34 2kan s ASN 90 N -6.03 5.18 -0.22 2.16 3.84 -1.26 -5.08 114.94 113.54 2kan s ASN 90 Ca 0.00 -3.52 -0.09 0.00 0.21 0.00 0.00 52.86 49.46 2kan s ASN 90 Cb 0.10 -1.76 -0.04 0.00 -0.55 0.00 0.00 41.25 39.00 2kan s ASN 90 CO 0.60 -0.18 0.11 -0.60 -2.79 0.00 0.00 177.10 174.23 2kan s ARG 91 N -1.01 3.95 -0.36 0.43 3.52 -1.22 -5.03 118.95 119.23 2kan s ARG 91 Ca 0.23 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 2kan s ARG 91 Cb -0.11 -3.39 0.16 0.00 -1.56 0.00 0.00 34.95 30.04 2kan s ARG 91 CO -0.10 0.08 0.40 0.00 -0.81 0.00 0.00 175.30 174.86 2kan s ALA 92 N 0.95 -0.73 -0.46 6.12 0.00 -1.26 -5.11 121.76 121.26 2kan s ALA 92 Ca 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2kan s ALA 92 Cb -0.14 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2kan s ALA 92 CO 0.03 -2.07 1.39 0.21 0.00 0.00 0.00 175.76 175.32 2kan s LYS 93 N 1.69 3.50 0.00 0.00 2.36 -1.26 -5.27 119.74 120.76 2kan s LYS 93 Ca 0.15 0.75 0.19 0.00 -2.55 0.00 0.00 55.97 54.51 2kan s LYS 93 Cb -0.14 -4.04 0.15 0.00 -1.05 0.00 0.00 37.83 32.75 2kan s LYS 93 CO -0.10 -1.67 1.09 -3.47 1.55 0.00 0.00 175.35 172.76