#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 0.87 1.03 3.17 0.00 -1.26 -1.28 105.19 107.73 2kan n GLY 2 Ca 0.00 0.49 0.10 0.00 0.00 0.00 0.00 46.02 46.61 2kan n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kan n HIS 3 N 0.00 0.53 -2.58 1.61 -0.00 -1.26 -4.77 115.22 108.74 2kan n HIS 3 Ca 0.00 -0.31 -0.42 0.00 -0.00 0.00 0.00 57.72 56.98 2kan n HIS 3 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 2kan n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 4 N -1.26 2.72 0.34 -1.40 2.46 -0.40 -4.83 115.29 112.93 2kan s HIS 4 Ca 0.35 -1.40 0.05 0.00 0.47 0.00 0.00 55.06 54.53 2kan s HIS 4 Cb 0.20 -4.73 -0.03 0.00 -0.13 0.00 0.00 32.58 27.89 2kan s HIS 4 CO 0.27 -1.84 0.20 -1.01 -2.47 0.00 0.00 174.74 169.90 2kan s HIS 5 N 4.39 1.69 -1.50 3.88 3.76 -1.26 -4.54 115.29 121.70 2kan s HIS 5 Ca 0.51 -1.48 0.15 0.00 -0.15 0.00 0.00 55.06 54.09 2kan s HIS 5 Cb 0.03 -0.86 0.54 0.00 1.11 0.00 0.00 32.58 33.40 2kan s HIS 5 CO 0.02 -0.63 1.43 0.72 -0.85 0.00 0.00 174.74 175.44 2kan n HIS 6 N -0.67 1.03 1.02 1.40 -0.00 -1.26 -3.78 115.22 112.96 2kan n HIS 6 Ca 0.02 -0.44 0.11 0.00 -0.00 0.00 0.00 57.72 57.41 2kan n HIS 6 Cb 0.64 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.99 30.49 2kan n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kan n HIS 7 N 0.95 0.00 -3.86 4.41 8.25 -1.26 -4.83 115.22 118.89 2kan n HIS 7 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.37 2kan n HIS 7 Cb 0.64 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 2kan n HIS 7 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kan s HIS 8 N -2.79 1.74 0.40 4.41 5.65 -1.25 -5.12 115.29 118.34 2kan s HIS 8 Ca 0.13 -1.26 -0.24 0.00 0.25 0.00 0.00 55.06 53.94 2kan s HIS 8 Cb 0.17 -1.32 -0.09 0.00 -1.18 0.00 0.00 32.58 30.16 2kan s HIS 8 CO 0.73 -0.67 1.05 -1.12 -0.65 0.00 0.00 174.74 174.08 2kan s SER 9 N 1.62 6.75 0.00 9.88 0.01 -1.26 -4.77 113.70 125.92 2kan s SER 9 Ca -0.02 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.29 2kan s SER 9 Cb -0.17 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2kan s SER 9 CO -0.07 -0.50 0.00 1.41 0.41 0.00 0.00 173.24 174.49 2kan n HIS 10 N -0.06 0.00 -3.89 2.43 -0.00 -1.26 -5.09 115.22 107.34 2kan n HIS 10 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.76 2kan n HIS 10 Cb 0.49 -0.10 0.02 0.00 -0.00 0.00 0.00 29.99 30.40 2kan n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kan n ALA 11 N -0.82 -2.63 0.72 -1.41 0.00 -1.26 -5.00 120.51 110.12 2kan n ALA 11 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 53.44 52.62 2kan n ALA 11 Cb 0.00 0.35 0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.13 2.78 -2.24 0.00 0.00 -1.26 -4.84 120.51 113.81 2kan n ALA 12 Ca -0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 2kan n ALA 12 Cb 0.50 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 2kan n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kan s VAL 13 N -0.96 3.81 0.10 0.00 0.11 -1.26 -4.98 120.40 117.23 2kan s VAL 13 Ca 0.08 0.86 0.04 0.00 -2.93 0.00 0.00 61.98 60.02 2kan s VAL 13 Cb 0.06 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 2kan s VAL 13 CO 0.02 -0.56 -0.11 -0.13 -3.33 0.00 0.00 175.10 170.99 2kan s ARG 14 N 4.93 0.86 0.38 1.54 0.52 -1.26 -5.14 118.95 120.77 2kan s ARG 14 Ca 0.66 -1.13 -0.14 0.00 -0.52 0.00 0.00 55.73 54.60 2kan s ARG 14 Cb -0.18 -0.61 -0.08 0.00 0.52 0.00 0.00 34.95 34.60 2kan s ARG 14 CO 0.31 0.10 0.78 0.15 0.02 0.00 0.00 175.30 176.66 2kan s LYS 15 N -2.61 3.92 -0.07 3.54 -0.14 -1.26 -4.42 119.74 118.71 2kan s LYS 15 Ca 0.04 0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 55.25 2kan s LYS 15 Cb -0.04 -2.38 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2kan s LYS 15 CO 0.01 0.04 0.12 0.96 -0.76 0.00 0.00 175.35 175.72 2kan s ILE 16 N -2.20 5.19 -0.60 2.17 -4.36 0.16 -4.87 121.20 116.69 2kan s ILE 16 Ca 0.54 -0.04 -0.17 0.00 -0.26 0.00 0.00 60.65 60.71 2kan s ILE 16 Cb -0.10 -3.31 0.13 0.00 1.25 0.00 0.00 42.46 40.43 2kan s ILE 16 CO 0.24 0.51 0.63 -1.00 0.24 0.00 0.00 174.94 175.55 2kan s HIS 17 N -1.10 3.19 0.07 1.37 3.76 -1.26 -2.01 115.29 119.30 2kan s HIS 17 Ca 0.19 -1.22 -0.14 0.00 -0.15 0.00 0.00 55.06 53.74 2kan s HIS 17 Cb -0.12 -3.91 -0.06 0.00 1.11 0.00 0.00 32.58 29.60 2kan s HIS 17 CO 0.09 -1.15 0.47 0.14 -0.85 0.00 0.00 174.74 173.44 2kan s VAL 18 N 1.96 4.95 -0.39 -0.90 -7.23 -0.79 -0.19 120.40 117.82 2kan s VAL 18 Ca 0.09 0.79 -0.14 0.00 -1.81 0.00 0.00 61.98 60.91 2kan s VAL 18 Cb -0.25 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 32.97 2kan s VAL 18 CO 0.03 0.40 0.28 -0.89 -0.31 0.00 0.00 175.10 174.61 2kan s THR 19 N -1.28 5.25 -0.34 5.32 2.01 0.66 -1.17 115.64 126.10 2kan s THR 19 Ca 0.31 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.57 2kan s THR 19 Cb -0.16 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2kan s THR 19 CO 0.17 -0.22 0.70 -0.69 -0.69 0.00 0.00 174.62 173.90 2kan s VAL 20 N 1.69 4.83 -0.59 3.82 1.01 0.10 0.11 120.40 131.37 2kan s VAL 20 Ca 0.05 0.81 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 2kan s VAL 20 Cb -0.19 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.15 2kan s VAL 20 CO 0.10 -0.31 0.85 -0.54 0.00 0.00 0.00 175.10 175.19 2kan s LYS 21 N 2.85 3.15 0.07 2.72 -0.14 0.61 -2.55 119.74 126.46 2kan s LYS 21 Ca 0.28 -0.79 0.07 0.00 -1.36 0.00 0.00 55.97 54.17 2kan s LYS 21 Cb -0.14 -4.16 -0.04 0.00 -1.68 0.00 0.00 37.83 31.81 2kan s LYS 21 CO 0.15 -1.57 -0.13 0.12 -0.76 0.00 0.00 175.35 173.15 2kan s PHE 22 N 3.51 2.67 -0.54 3.18 2.19 -0.64 -1.66 117.98 126.70 2kan s PHE 22 Ca 0.21 -0.19 0.21 0.00 0.33 0.00 0.00 56.93 57.50 2kan s PHE 22 Cb -0.17 -1.45 0.92 0.00 -1.31 0.00 0.00 43.02 41.01 2kan s PHE 22 CO 0.12 0.36 1.65 -0.35 1.83 0.00 0.00 175.22 178.83 2kan n PRO 23 N 1.08 0.16 -0.07 10.12 -0.04 -1.26 -2.87 135.00 142.11 2kan n PRO 23 Ca -0.15 0.43 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2kan n PRO 23 Cb 0.52 -1.82 -0.15 0.00 -0.04 0.00 0.00 33.50 32.01 2kan n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kan n SER 24 N -2.12 0.47 -3.57 3.54 3.41 -1.26 -5.06 113.62 109.03 2kan n SER 24 Ca 0.02 0.14 -0.02 0.00 -0.26 0.00 0.00 58.87 58.75 2kan n SER 24 Cb 0.19 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kan s LYS 25 N -2.53 1.00 -0.07 4.33 -2.85 -1.14 -5.16 119.74 113.33 2kan s LYS 25 Ca -0.10 -0.61 0.02 0.00 -1.00 0.00 0.00 55.97 54.28 2kan s LYS 25 Cb 0.07 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.16 2kan s LYS 25 CO 0.81 -0.46 -0.12 -1.14 0.10 0.00 0.00 175.35 174.54 2kan s GLN 26 N -2.51 1.64 0.06 1.78 0.74 -1.26 -1.62 119.66 118.49 2kan s GLN 26 Ca 0.19 -0.39 -0.13 0.00 0.05 0.00 0.00 55.36 55.08 2kan s GLN 26 Cb -0.01 -1.38 0.02 0.00 1.10 0.00 0.00 33.01 32.74 2kan s GLN 26 CO 0.02 0.01 0.28 -0.59 -0.55 0.00 0.00 175.29 174.46 2kan s PHE 27 N 0.72 -0.05 -0.12 1.67 -0.71 -1.06 -5.00 117.98 113.43 2kan s PHE 27 Ca -0.14 -0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 55.54 2kan s PHE 27 Cb -0.16 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2kan s PHE 27 CO 0.03 -0.52 0.05 0.99 -1.34 0.00 0.00 175.22 174.42 2kan s THR 28 N -2.92 4.68 -0.06 -4.49 2.01 -1.26 0.02 115.64 113.62 2kan s THR 28 Ca -0.02 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.94 2kan s THR 28 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2kan s THR 28 CO -0.06 0.57 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 2kan s VAL 29 N -0.54 2.12 -0.47 3.82 1.01 -0.31 -4.94 120.40 121.09 2kan s VAL 29 Ca 0.10 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 2kan s VAL 29 Cb -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.53 2kan s VAL 29 CO 0.02 0.57 0.73 -1.61 0.00 0.00 0.00 175.10 174.81 2kan s GLU 30 N -0.21 3.30 0.15 2.72 2.02 -1.26 -1.89 118.70 123.53 2kan s GLU 30 Ca -0.02 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 54.69 2kan s GLU 30 Cb -0.13 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2kan s GLU 30 CO 0.03 -1.15 -0.16 0.14 0.02 0.00 0.00 175.26 174.14 2kan s VAL 31 N 3.11 1.59 0.50 2.63 -7.23 -0.85 -4.92 120.40 115.23 2kan s VAL 31 Ca 0.25 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 2kan s VAL 31 Cb -0.14 -1.75 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 2kan s VAL 31 CO 0.19 -0.41 1.22 -0.62 -0.31 0.00 0.00 175.10 175.17 2kan s ASP 32 N -2.70 5.79 0.34 4.85 2.15 -1.26 0.37 116.67 126.20 2kan s ASP 32 Ca 0.14 2.43 0.18 0.00 0.43 0.00 0.00 52.55 55.73 2kan s ASP 32 Cb -0.04 -2.61 0.42 0.00 -0.30 0.00 0.00 42.92 40.39 2kan s ASP 32 CO 0.05 -1.19 1.61 0.08 -0.17 0.00 0.00 175.17 175.55 2kan h ARG 33 N 1.70 0.00 -0.60 4.34 0.11 -1.94 -2.49 114.38 115.51 2kan h ARG 33 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2kan h ARG 33 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2kan h ARG 33 CO 0.59 0.41 0.00 0.25 0.10 0.00 0.00 179.97 181.31 2kan n THR 34 N -3.35 1.18 -2.40 0.08 -2.24 -1.26 -1.03 114.28 105.26 2kan n THR 34 Ca 0.01 -0.79 -0.36 0.00 -2.27 0.00 0.00 64.05 60.64 2kan n THR 34 Cb 0.61 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.70 3.88 0.47 -0.78 2.12 -0.94 -4.72 118.70 117.03 2kan s GLU 35 Ca 0.35 1.61 -0.04 0.00 0.36 0.00 0.00 54.97 57.25 2kan s GLU 35 Cb 0.22 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 2kan s GLU 35 CO 0.18 -0.41 0.75 0.95 -0.54 0.00 0.00 175.26 176.19 2kan s THR 36 N -1.67 4.73 0.41 -1.70 -4.23 -1.26 -0.03 115.64 111.89 2kan s THR 36 Ca 0.63 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 2kan s THR 36 Cb -0.24 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.09 2kan s THR 36 CO 0.29 -0.72 2.03 0.58 -0.54 0.00 0.00 174.62 176.27 2kan h VAL 37 N 0.29 1.06 -0.43 2.29 2.07 -0.82 -1.60 116.25 119.10 2kan h VAL 37 Ca -0.47 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 66.92 2kan h VAL 37 Cb 1.22 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2kan h VAL 37 CO 0.61 0.10 0.09 0.77 0.02 0.00 0.00 177.57 179.16 2kan h SER 38 N 0.57 0.02 0.87 0.57 4.64 -1.45 -1.60 113.55 117.17 2kan h SER 38 Ca 0.20 0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.44 2kan h SER 38 Cb 0.10 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2kan h SER 38 CO -0.05 0.04 -0.71 0.28 -0.87 0.00 0.00 176.83 175.53 2kan h SER 39 N 0.22 0.00 -0.33 4.97 0.02 -1.64 -2.60 113.55 114.20 2kan h SER 39 Ca 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2kan h SER 39 Cb 0.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2kan h SER 39 CO -0.27 0.71 0.17 0.25 -1.14 0.00 0.00 176.83 176.55 2kan h LEU 40 N 0.00 0.42 -0.84 5.07 5.85 -0.84 0.13 115.31 125.10 2kan h LEU 40 Ca -0.01 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2kan h LEU 40 Cb 1.33 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2kan h LEU 40 CO 0.09 0.41 0.55 0.11 -0.34 0.00 0.00 178.44 179.26 2kan h LYS 41 N 0.40 1.07 -0.43 1.25 1.57 -1.21 -2.19 116.57 117.03 2kan h LYS 41 Ca 0.11 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2kan h LYS 41 Cb 0.09 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2kan h LYS 41 CO -0.02 0.70 0.27 0.22 -0.57 0.00 0.00 179.45 180.06 2kan h ASP 42 N 1.10 0.45 -0.06 0.86 3.58 -1.01 -1.48 116.42 119.87 2kan h ASP 42 Ca 0.32 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.79 2kan h ASP 42 Cb -0.07 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2kan h ASP 42 CO -0.09 0.33 -0.11 0.11 -2.88 0.00 0.00 179.24 176.59 2kan h LYS 43 N 0.55 -0.16 -0.80 0.28 1.79 -0.58 -2.18 116.57 115.46 2kan h LYS 43 Ca 0.17 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2kan h LYS 43 Cb -0.03 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 2kan h LYS 43 CO -0.06 -0.11 0.46 0.82 -1.08 0.00 0.00 179.45 179.49 2kan h ILE 44 N -0.17 1.23 0.00 1.86 2.04 -1.18 -1.96 117.51 119.33 2kan h ILE 44 Ca 0.06 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 2kan h ILE 44 Cb 0.25 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2kan h ILE 44 CO -0.16 0.25 -0.22 -0.74 0.00 0.00 0.00 178.15 177.28 2kan h HIS 45 N 1.10 0.00 -0.08 1.37 2.76 -0.98 0.40 115.15 119.71 2kan h HIS 45 Ca 0.28 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.27 2kan h HIS 45 Cb -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 2kan h HIS 45 CO -0.00 0.22 -0.74 0.82 -1.30 0.00 0.00 177.93 176.92 2kan h ILE 46 N 0.00 1.37 0.00 6.26 2.04 -0.73 -3.35 117.51 123.10 2kan h ILE 46 Ca -0.00 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.71 2kan h ILE 46 Cb 0.40 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2kan h ILE 46 CO 0.03 0.65 -0.04 0.58 0.00 0.00 0.00 178.15 179.37 2kan h VAL 47 N 0.29 1.12 -2.96 1.67 2.07 -0.92 -3.47 116.25 114.05 2kan h VAL 47 Ca -0.03 -1.85 -0.47 0.00 0.82 0.00 0.00 66.70 65.16 2kan h VAL 47 Cb 1.32 2.13 0.03 0.00 -1.52 0.00 0.00 31.29 33.25 2kan h VAL 47 CO 0.13 0.38 -0.07 -0.70 0.02 0.00 0.00 177.57 177.33 2kan s GLU 48 N -1.99 3.24 0.26 1.57 -6.30 0.13 -5.01 118.70 110.61 2kan s GLU 48 Ca -0.13 -0.30 0.19 0.00 -2.50 0.00 0.00 54.97 52.23 2kan s GLU 48 Cb -0.02 -2.54 0.08 0.00 0.00 0.00 0.00 34.13 31.66 2kan s GLU 48 CO 0.44 -0.18 1.27 -0.97 0.02 0.00 0.00 175.26 175.84 2kan h ASN 49 N 0.42 0.00 -2.91 -1.70 -0.73 -1.85 -3.41 115.58 105.40 2kan h ASN 49 Ca -0.47 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.17 2kan h ASN 49 Cb 1.24 0.00 0.06 0.00 0.27 0.00 0.00 38.32 39.89 2kan h ASN 49 CO 0.59 0.28 0.93 -0.89 -0.37 0.00 0.00 177.43 177.97 2kan s THR 50 N -3.10 2.25 0.57 -3.57 2.01 -1.26 -4.98 115.64 107.56 2kan s THR 50 Ca 0.02 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 2kan s THR 50 Cb 0.08 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 2kan s THR 50 CO 0.75 0.02 1.06 -2.16 -0.69 0.00 0.00 174.62 173.60 2kan s PRO 51 N 0.69 3.40 0.51 4.92 0.04 -1.26 -4.61 135.00 138.69 2kan s PRO 51 Ca 0.70 1.29 0.28 0.00 0.04 0.00 0.00 61.00 63.31 2kan s PRO 51 Cb -0.47 -2.04 1.36 0.00 0.04 0.00 0.00 34.50 33.39 2kan s PRO 51 CO 0.36 -0.75 2.02 0.82 0.04 0.00 0.00 177.00 179.49 2kan h ILE 52 N 0.75 0.50 0.00 0.56 2.04 -1.90 -1.96 117.51 117.50 2kan h ILE 52 Ca -0.48 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2kan h ILE 52 Cb 1.23 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2kan h ILE 52 CO 0.58 0.13 0.00 0.11 0.00 0.00 0.00 178.15 178.97 2kan h LYS 53 N 0.00 0.00 0.00 2.37 1.57 -1.99 -3.12 116.57 115.40 2kan h LYS 53 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2kan h LYS 53 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2kan h LYS 53 CO 0.02 0.00 -1.84 0.54 -0.57 0.00 0.00 179.45 177.60 2kan n ARG 54 N -2.94 1.39 -3.64 3.15 3.00 -0.76 -4.75 116.66 112.11 2kan n ARG 54 Ca 0.00 -0.04 -0.37 0.00 -0.01 0.00 0.00 57.85 57.43 2kan n ARG 54 Cb 0.25 -1.34 -0.07 0.00 0.00 0.00 0.00 32.46 31.30 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 -2.53 3.96 -0.01 5.56 0.23 -1.05 -0.12 119.30 125.33 2kan s MET 55 Ca -0.06 0.07 0.06 0.00 -1.03 0.00 0.00 55.69 54.73 2kan s MET 55 Cb 0.06 -3.32 -0.03 0.00 -1.53 0.00 0.00 34.83 30.01 2kan s MET 55 CO 0.57 0.49 -0.17 -0.65 -2.03 0.00 0.00 175.02 173.22 2kan s GLN 56 N -0.28 2.29 -0.21 3.16 1.11 -0.56 -4.86 119.66 120.31 2kan s GLN 56 Ca 0.17 -0.84 -0.11 0.00 0.01 0.00 0.00 55.36 54.60 2kan s GLN 56 Cb -0.13 -2.26 -0.05 0.00 -1.01 0.00 0.00 33.01 29.56 2kan s GLN 56 CO 0.05 0.58 0.16 -0.51 0.01 0.00 0.00 175.29 175.59 2kan s LEU 57 N -0.98 4.18 -0.09 2.90 1.43 -1.26 -1.82 118.68 123.04 2kan s LEU 57 Ca 0.12 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2kan s LEU 57 Cb -0.10 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2kan s LEU 57 CO 0.02 0.13 -0.12 -0.31 0.23 0.00 0.00 176.35 176.30 2kan s TYR 58 N 0.61 1.62 -0.36 0.29 1.51 -0.51 -2.49 117.35 118.02 2kan s TYR 58 Ca 0.09 -0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 2kan s TYR 58 Cb -0.12 -1.21 0.07 0.00 -0.11 0.00 0.00 41.96 40.60 2kan s TYR 58 CO 0.01 -0.38 0.12 -0.47 -1.11 0.00 0.00 175.55 173.72 2kan s TYR 59 N 0.93 3.40 -1.77 2.71 5.04 0.11 -1.05 117.35 126.71 2kan s TYR 59 Ca -0.09 -1.98 0.00 0.00 -2.44 0.00 0.00 57.07 52.56 2kan s TYR 59 Cb -0.15 -2.64 0.00 0.00 0.35 0.00 0.00 41.96 39.52 2kan s TYR 59 CO 0.00 -0.86 0.00 0.43 -1.34 0.00 0.00 175.55 173.78 2kan n SER 60 N 4.67 -5.48 0.00 4.32 7.64 -1.26 -0.74 113.62 122.77 2kan n SER 60 Ca -0.08 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2kan n SER 60 Cb 0.43 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 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 -0.90 3.12 3.66 0.23 0.00 -1.26 -5.04 105.19 105.00 2kan n GLY 61 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.91 4.70 0.28 -0.61 1.01 0.08 -5.02 121.20 118.74 2kan s ILE 62 Ca 0.00 1.96 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 2kan s ILE 62 Cb 0.00 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 2kan s ILE 62 CO 0.00 -0.16 1.07 -1.83 0.00 0.00 0.00 174.94 174.02 2kan s GLU 63 N 3.15 4.65 -0.99 2.79 -1.05 -1.26 0.04 118.70 126.02 2kan s GLU 63 Ca 0.43 1.74 -0.18 0.00 -0.15 0.00 0.00 54.97 56.80 2kan s GLU 63 Cb -0.15 -3.17 0.12 0.00 -0.44 0.00 0.00 34.13 30.50 2kan s GLU 63 CO 0.06 0.24 1.23 -0.51 0.95 0.00 0.00 175.26 177.23 2kan s LEU 64 N -1.47 4.82 0.17 1.83 1.43 -1.04 -4.81 118.68 119.61 2kan s LEU 64 Ca 0.45 -2.13 0.10 0.00 -1.03 0.00 0.00 54.13 51.51 2kan s LEU 64 Cb -0.31 -2.43 -0.12 0.00 0.03 0.00 0.00 46.19 43.37 2kan s LEU 64 CO 0.39 -1.07 1.32 0.00 0.23 0.00 0.00 176.35 177.22 2kan h ALA 65 N 8.66 0.46 -2.46 4.21 0.00 -1.93 -3.42 119.26 124.78 2kan h ALA 65 Ca 0.20 -0.77 -0.73 0.00 0.00 0.00 0.00 54.91 53.61 2kan h ALA 65 Cb 0.99 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.44 2kan h ALA 65 CO 1.18 1.05 -0.40 -0.51 0.00 0.00 0.00 179.25 180.57 2kan s ASP 66 N -6.62 6.08 0.37 0.00 1.01 -1.26 -4.92 116.67 111.33 2kan s ASP 66 Ca 0.02 -1.08 0.11 0.00 0.71 0.00 0.00 52.55 52.31 2kan s ASP 66 Cb 0.09 -2.15 0.72 0.00 1.01 0.00 0.00 42.92 42.59 2kan s ASP 66 CO 0.80 -0.52 1.85 -0.78 0.21 0.00 0.00 175.17 176.72 2kan h ASP 67 N 8.65 0.10 0.66 0.27 3.58 -1.96 -2.92 116.42 124.80 2kan h ASP 67 Ca -0.27 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2kan h ASP 67 Cb 1.11 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2kan h ASP 67 CO 0.78 0.40 -0.18 0.00 -2.88 0.00 0.00 179.24 177.36 2kan n TYR 68 N -4.16 0.00 -2.48 0.28 4.11 -1.26 -1.24 117.16 112.41 2kan n TYR 68 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.58 2kan n TYR 68 Cb 0.37 -0.33 -0.02 0.00 -0.00 0.00 0.00 39.34 39.36 2kan n TYR 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2kan s ARG 69 N -2.84 3.77 0.39 -3.48 0.52 -1.10 -4.79 118.95 111.42 2kan s ARG 69 Ca 0.18 0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 2kan s ARG 69 Cb 0.19 -2.24 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 2kan s ARG 69 CO 0.56 -0.24 0.75 -0.80 0.02 0.00 0.00 175.30 175.60 2kan s ASN 70 N -3.45 6.55 0.38 0.23 -0.87 -1.26 -1.03 114.94 115.49 2kan s ASN 70 Ca 0.54 1.12 0.06 0.00 -1.57 0.00 0.00 52.86 53.02 2kan s ASN 70 Cb -0.10 -2.32 0.78 0.00 -0.02 0.00 0.00 41.25 39.59 2kan s ASN 70 CO 0.37 -0.36 2.01 -0.07 -2.57 0.00 0.00 177.10 176.48 2kan h LEU 71 N 1.41 0.58 -1.59 0.60 3.38 -0.56 -0.12 115.31 119.02 2kan h LEU 71 Ca -0.47 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.56 2kan h LEU 71 Cb 1.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2kan h LEU 71 CO 0.64 0.40 0.39 -1.13 0.09 0.00 0.00 178.44 178.83 2kan h ASN 72 N 0.68 0.44 -0.18 -0.43 -1.24 -1.31 0.35 115.58 113.89 2kan h ASN 72 Ca 0.23 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 2kan h ASN 72 Cb 0.06 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2kan h ASN 72 CO -0.06 0.28 0.03 -0.33 -1.29 0.00 0.00 177.43 176.06 2kan h GLU 73 N 0.50 0.29 0.00 6.67 4.39 -1.32 -2.71 114.58 122.41 2kan h GLU 73 Ca 0.26 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 2kan h GLU 73 Cb 0.37 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2kan h GLU 73 CO -0.07 0.46 -0.18 1.88 -1.16 0.00 0.00 179.01 179.94 2kan h TYR 74 N 0.08 0.00 -0.11 4.33 0.05 -1.34 -3.47 116.97 116.52 2kan h TYR 74 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2kan h TYR 74 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2kan h TYR 74 CO 0.02 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 177.72 2kan n GLY 75 N 0.20 1.31 3.66 3.88 0.00 -0.11 -5.04 105.19 109.08 2kan n GLY 75 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.11 4.49 0.26 -0.61 1.01 -0.08 -5.00 121.20 119.17 2kan s ILE 76 Ca 0.00 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.48 2kan s ILE 76 Cb 0.00 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.32 2kan s ILE 76 CO 0.00 -0.19 0.28 1.07 0.00 0.00 0.00 174.94 176.11 2kan n THR 77 N 5.40 0.00 -2.64 2.92 5.66 -1.26 -4.65 114.28 119.71 2kan n THR 77 Ca 0.13 -0.92 -0.34 0.00 -3.05 0.00 0.00 64.05 59.86 2kan n THR 77 Cb 0.46 -0.56 -0.05 0.00 -1.55 0.00 0.00 70.33 68.62 2kan n THR 77 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2kan s GLU 78 N -3.11 4.05 -1.14 1.09 2.12 -1.26 -3.41 118.70 117.04 2kan s GLU 78 Ca 0.22 1.32 0.00 0.00 0.36 0.00 0.00 54.97 56.86 2kan s GLU 78 Cb -0.02 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 32.12 2kan s GLU 78 CO 0.14 -0.21 0.00 1.19 -0.54 0.00 0.00 175.26 175.84 2kan n PHE 79 N -0.59 -0.03 -2.44 5.30 3.72 0.74 -4.95 117.46 119.21 2kan n PHE 79 Ca 0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 2kan n PHE 79 Cb 0.52 -2.09 -0.03 0.00 -0.94 0.00 0.00 39.48 36.94 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 -2.86 7.13 -0.50 4.37 1.04 -1.22 -4.75 113.70 116.90 2kan s SER 80 Ca 0.00 2.09 -0.20 0.00 0.48 0.00 0.00 55.95 58.32 2kan s SER 80 Cb 0.00 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.58 2kan s SER 80 CO 0.00 -0.37 0.69 -0.70 0.98 0.00 0.00 173.24 173.83 2kan s GLU 81 N 0.32 3.18 -0.33 4.02 2.12 -1.26 -0.24 118.70 126.51 2kan s GLU 81 Ca 0.54 -0.69 -0.21 0.00 0.36 0.00 0.00 54.97 54.97 2kan s GLU 81 Cb -0.30 -4.07 -0.00 0.00 0.26 0.00 0.00 34.13 30.02 2kan s GLU 81 CO 0.33 -1.24 0.66 0.42 -0.54 0.00 0.00 175.26 174.89 2kan s ILE 82 N 2.91 4.89 -0.31 -3.70 -1.09 0.12 -4.27 121.20 119.74 2kan s ILE 82 Ca 0.19 0.77 -0.18 0.00 -2.23 0.00 0.00 60.65 59.20 2kan s ILE 82 Cb -0.17 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 2kan s ILE 82 CO 0.14 -0.25 0.53 -0.69 -1.23 0.00 0.00 174.94 173.44 2kan s VAL 83 N 2.73 5.03 -0.40 2.92 1.01 -0.22 -0.29 120.40 131.18 2kan s VAL 83 Ca 0.26 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 62.72 2kan s VAL 83 Cb -0.14 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2kan s VAL 83 CO 0.14 -0.08 0.27 -0.69 0.00 0.00 0.00 175.10 174.74 2kan s VAL 84 N 2.39 5.06 -0.25 2.92 1.01 -0.67 -1.42 120.40 129.44 2kan s VAL 84 Ca 0.20 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 2kan s VAL 84 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2kan s VAL 84 CO 0.12 -0.29 0.40 -0.36 0.00 0.00 0.00 175.10 174.96 2kan s PHE 85 N 1.64 3.28 -0.35 5.22 0.08 -0.76 -4.61 117.98 122.48 2kan s PHE 85 Ca 0.04 0.49 -0.25 0.00 0.12 0.00 0.00 56.93 57.33 2kan s PHE 85 Cb -0.19 -2.58 0.01 0.00 -0.57 0.00 0.00 43.02 39.69 2kan s PHE 85 CO 0.09 -0.19 0.90 -0.51 -0.10 0.00 0.00 175.22 175.41 2kan s LEU 86 N 1.94 4.03 -0.57 -0.37 1.43 -1.26 -1.49 118.68 122.38 2kan s LEU 86 Ca 0.17 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2kan s LEU 86 Cb -0.15 -3.22 0.15 0.00 0.03 0.00 0.00 46.19 42.99 2kan s LEU 86 CO 0.09 -0.80 0.37 -0.54 0.23 0.00 0.00 176.35 175.70 2kan s LYS 87 N 3.35 2.38 -0.71 1.70 -0.14 0.83 -5.00 119.74 122.15 2kan s LYS 87 Ca 0.37 -2.42 -0.26 0.00 -1.36 0.00 0.00 55.97 52.30 2kan s LYS 87 Cb -0.12 -3.64 -0.01 0.00 -1.68 0.00 0.00 37.83 32.37 2kan s LYS 87 CO 0.17 -1.14 1.77 -1.12 -0.76 0.00 0.00 175.35 174.26 2kan s SER 88 N 0.73 5.45 -0.27 2.83 0.01 -1.26 -4.65 113.70 116.55 2kan s SER 88 Ca 0.15 -0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.24 2kan s SER 88 Cb -0.21 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 2kan s SER 88 CO -0.03 -2.32 0.10 0.27 0.41 0.00 0.00 173.24 171.66 2kan s ILE 89 N 8.55 4.43 -0.30 1.44 -4.36 -1.26 -5.07 121.20 124.63 2kan s ILE 89 Ca 0.62 -0.22 -0.24 0.00 -0.26 0.00 0.00 60.65 60.54 2kan s ILE 89 Cb -0.10 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.48 2kan s ILE 89 CO 0.14 0.26 0.82 0.54 0.24 0.00 0.00 174.94 176.94 2kan s ASN 90 N 1.62 6.72 -0.39 4.36 2.20 -1.26 -4.98 114.94 123.21 2kan s ASN 90 Ca 0.06 0.76 0.01 0.00 -0.94 0.00 0.00 52.86 52.75 2kan s ASN 90 Cb -0.16 -2.43 0.15 0.00 -2.00 0.00 0.00 41.25 36.81 2kan s ASN 90 CO 0.05 -0.63 0.25 -0.60 -2.94 0.00 0.00 177.10 173.22 2kan s ARG 91 N 3.01 0.79 -0.23 3.55 6.06 -1.26 -5.00 118.95 125.87 2kan s ARG 91 Ca 0.34 -1.64 -0.04 0.00 -2.50 0.00 0.00 55.73 51.89 2kan s ARG 91 Cb -0.14 -1.56 0.02 0.00 0.06 0.00 0.00 34.95 33.33 2kan s ARG 91 CO 0.12 -1.23 0.09 0.00 -2.50 0.00 0.00 175.30 171.77 2kan n ALA 92 N 3.69 -3.53 -2.70 6.12 0.00 -1.26 -5.03 120.51 117.80 2kan n ALA 92 Ca 0.15 1.13 -0.31 0.00 0.00 0.00 0.00 53.44 54.41 2kan n ALA 92 Cb 0.38 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 2kan n ALA 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kan s LYS 93 N -1.16 2.69 0.00 0.00 2.20 -1.26 -5.29 119.74 116.92 2kan s LYS 93 Ca -0.10 -0.73 0.26 0.00 -0.36 0.00 0.00 55.97 55.03 2kan s LYS 93 Cb 0.01 -2.62 0.52 0.00 -1.51 0.00 0.00 37.83 34.23 2kan s LYS 93 CO 0.71 0.57 1.45 -3.47 -0.36 0.00 0.00 175.35 174.25