#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 2.49 3.26 3.03 0.00 -1.26 -5.14 105.19 107.56 2kan n GLY 2 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 2.47 0.29 1.61 4.02 -1.26 -5.14 115.29 117.29 2kan s HIS 3 Ca 0.00 -0.78 0.06 0.00 1.02 0.00 0.00 55.06 55.35 2kan s HIS 3 Cb 0.00 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.58 29.92 2kan s HIS 3 CO 0.00 -0.25 0.42 -1.01 1.02 0.00 0.00 174.74 174.92 2kan s HIS 4 N -0.06 3.26 0.00 1.40 0.09 -1.26 -5.08 115.29 113.64 2kan s HIS 4 Ca -0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 55.06 54.87 2kan s HIS 4 Cb -0.15 -1.81 0.00 0.00 -0.00 0.00 0.00 32.58 30.62 2kan s HIS 4 CO 0.05 0.18 0.00 0.72 -0.00 0.00 0.00 174.74 175.69 2kan n HIS 5 N -1.54 0.00 -3.17 1.40 -0.00 -1.26 -5.03 115.22 105.62 2kan n HIS 5 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.51 2kan n HIS 5 Cb 0.58 -0.13 0.02 0.00 -0.00 0.00 0.00 29.99 30.45 2kan n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kan n HIS 6 N -1.29 -3.04 -3.76 4.41 8.25 -1.26 -5.05 115.22 113.48 2kan n HIS 6 Ca 0.00 1.23 -0.13 0.00 -0.26 0.00 0.00 57.72 58.56 2kan n HIS 6 Cb 0.00 -3.31 -0.11 0.00 1.12 0.00 0.00 29.99 27.68 2kan n HIS 6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kan s HIS 7 N -2.39 -0.35 -0.64 4.41 4.02 -1.26 -5.02 115.29 114.05 2kan s HIS 7 Ca 0.22 0.85 0.10 0.00 1.02 0.00 0.00 55.06 57.25 2kan s HIS 7 Cb -0.04 0.12 0.54 0.00 -1.02 0.00 0.00 32.58 32.18 2kan s HIS 7 CO 0.81 -0.18 1.35 0.72 1.02 0.00 0.00 174.74 178.46 2kan n HIS 8 N 3.08 1.34 -2.40 1.40 8.25 -1.26 -4.77 115.22 120.86 2kan n HIS 8 Ca -0.14 -0.47 -0.37 0.00 -0.26 0.00 0.00 57.72 56.48 2kan n HIS 8 Cb 0.57 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 2kan n HIS 8 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kan s SER 9 N -0.57 6.09 -0.77 0.41 0.01 -1.26 -4.93 113.70 112.68 2kan s SER 9 Ca 0.36 -1.33 -0.26 0.00 1.31 0.00 0.00 55.95 56.04 2kan s SER 9 Cb 0.27 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.94 2kan s SER 9 CO 0.12 -1.89 1.53 -1.38 0.41 0.00 0.00 173.24 172.03 2kan s HIS 10 N 6.57 2.12 -0.58 2.43 0.00 -1.26 -4.93 115.29 119.63 2kan s HIS 10 Ca 0.54 0.09 -0.12 0.00 -3.00 0.00 0.00 55.06 52.57 2kan s HIS 10 Cb -0.02 -4.44 0.15 0.00 -4.00 0.00 0.00 32.58 24.27 2kan s HIS 10 CO -0.05 -2.08 0.49 0.00 -1.00 0.00 0.00 174.74 172.10 2kan s ALA 11 N 6.90 3.64 -0.66 -1.38 0.00 -1.26 -4.97 121.76 124.02 2kan s ALA 11 Ca 0.49 -2.77 -0.06 0.00 0.00 0.00 0.00 51.96 49.62 2kan s ALA 11 Cb -0.08 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2kan s ALA 11 CO 0.10 -2.04 3.04 0.00 0.00 0.00 0.00 175.76 176.86 2kan n ALA 12 N 4.69 6.70 -2.57 0.00 0.00 -1.26 -4.90 120.51 123.18 2kan n ALA 12 Ca -0.04 -2.90 -0.26 0.00 0.00 0.00 0.00 53.44 50.24 2kan n ALA 12 Cb 0.41 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 2kan n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kan s VAL 13 N -0.14 5.06 -0.74 0.00 1.01 -1.26 -5.02 120.40 119.30 2kan s VAL 13 Ca 0.63 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 2kan s VAL 13 Cb 0.29 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.90 2kan s VAL 13 CO -0.10 -0.53 1.18 -0.13 0.00 0.00 0.00 175.10 175.52 2kan s ARG 14 N -4.14 3.20 0.22 2.72 1.81 -1.26 -4.99 118.95 116.51 2kan s ARG 14 Ca 0.42 -0.56 -0.30 0.00 -1.72 0.00 0.00 55.73 53.57 2kan s ARG 14 Cb -0.10 -4.31 -0.08 0.00 -0.45 0.00 0.00 34.95 30.01 2kan s ARG 14 CO 0.36 -2.02 1.04 0.15 -0.68 0.00 0.00 175.30 174.14 2kan s LYS 15 N 4.99 4.69 0.06 3.54 3.01 -1.26 -4.21 119.74 130.56 2kan s LYS 15 Ca 0.31 1.66 -0.03 0.00 -1.01 0.00 0.00 55.97 56.90 2kan s LYS 15 Cb -0.10 -3.26 -0.05 0.00 -1.01 0.00 0.00 37.83 33.41 2kan s LYS 15 CO 0.11 0.25 0.26 0.96 0.51 0.00 0.00 175.35 177.43 2kan s ILE 16 N -0.75 5.33 -0.44 2.17 -4.36 0.59 -4.85 121.20 118.89 2kan s ILE 16 Ca 0.45 -0.15 -0.21 0.00 -0.26 0.00 0.00 60.65 60.49 2kan s ILE 16 Cb -0.29 -3.60 0.03 0.00 1.25 0.00 0.00 42.46 39.85 2kan s ILE 16 CO 0.35 0.19 0.64 -1.00 0.24 0.00 0.00 174.94 175.36 2kan s HIS 17 N -1.48 3.06 -0.17 1.37 3.76 -1.26 -2.08 115.29 118.50 2kan s HIS 17 Ca 0.34 -0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 55.08 2kan s HIS 17 Cb -0.13 -3.36 -0.05 0.00 1.11 0.00 0.00 32.58 30.16 2kan s HIS 17 CO 0.24 -0.88 0.14 0.14 -0.85 0.00 0.00 174.74 173.52 2kan s VAL 18 N 2.82 5.44 -0.44 -0.90 -7.23 -0.23 -0.64 120.40 119.22 2kan s VAL 18 Ca 0.22 0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 60.40 2kan s VAL 18 Cb -0.14 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.37 2kan s VAL 18 CO 0.19 0.51 0.61 -0.89 -0.31 0.00 0.00 175.10 175.21 2kan s THR 19 N -0.19 4.87 -0.31 5.32 2.01 -0.13 -0.80 115.64 126.41 2kan s THR 19 Ca 0.11 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 2kan s THR 19 Cb -0.11 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2kan s THR 19 CO 0.01 -0.58 0.53 -0.69 -0.69 0.00 0.00 174.62 173.20 2kan s VAL 20 N 2.70 5.02 -0.47 3.82 1.01 0.19 0.23 120.40 132.90 2kan s VAL 20 Ca 0.20 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.66 2kan s VAL 20 Cb -0.15 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.38 2kan s VAL 20 CO 0.18 -0.09 0.40 -0.54 0.00 0.00 0.00 175.10 175.04 2kan s LYS 21 N 2.41 2.99 0.15 2.72 1.02 0.41 -1.47 119.74 127.97 2kan s LYS 21 Ca 0.21 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.91 2kan s LYS 21 Cb -0.15 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 2kan s LYS 21 CO 0.12 -1.01 0.30 -0.06 -0.92 0.00 0.00 175.35 173.77 2kan s PHE 22 N 1.69 3.49 0.40 3.18 0.40 -0.54 -0.95 117.98 125.65 2kan s PHE 22 Ca 0.05 0.19 0.38 0.00 -0.60 0.00 0.00 56.93 56.94 2kan s PHE 22 Cb -0.24 -1.72 2.05 0.00 0.51 0.00 0.00 43.02 43.62 2kan s PHE 22 CO 0.07 0.49 2.16 -1.35 0.70 0.00 0.00 175.22 177.30 2kan h PRO 23 N 2.22 0.00 0.00 0.24 0.11 -1.98 -3.14 132.00 129.45 2kan h PRO 23 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kan h PRO 23 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kan h PRO 23 CO 0.69 0.00 -0.06 0.77 -0.21 0.00 0.00 178.00 179.19 2kan h SER 24 N 0.00 0.00 -5.50 -2.05 0.02 -1.97 -3.50 113.55 100.55 2kan h SER 24 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2kan h SER 24 Cb 0.01 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.45 2kan h SER 24 CO 0.00 0.16 -0.29 -1.59 -1.14 0.00 0.00 176.83 173.97 2kan s LYS 25 N -1.23 1.65 -0.07 3.45 0.00 -1.19 -5.16 119.74 117.20 2kan s LYS 25 Ca -0.02 -1.62 0.01 0.00 0.00 0.00 0.00 55.97 54.34 2kan s LYS 25 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 37.83 38.21 2kan s LYS 25 CO 0.03 -0.66 -0.08 -1.14 0.00 0.00 0.00 175.35 173.51 2kan s GLN 26 N -3.57 2.72 0.18 1.78 0.74 -1.26 -1.47 119.66 118.78 2kan s GLN 26 Ca 0.31 -0.56 -0.16 0.00 0.05 0.00 0.00 55.36 55.00 2kan s GLN 26 Cb 0.01 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.58 2kan s GLN 26 CO 0.16 0.66 0.47 -0.59 -0.55 0.00 0.00 175.29 175.44 2kan s PHE 27 N -0.80 -0.05 -0.06 1.67 -0.71 -0.54 -5.01 117.98 112.48 2kan s PHE 27 Ca 0.12 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 55.73 2kan s PHE 27 Cb -0.11 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 2kan s PHE 27 CO 0.01 -0.86 -0.06 0.99 -1.34 0.00 0.00 175.22 173.96 2kan s THR 28 N -3.88 3.78 0.03 -4.49 2.01 -1.26 0.54 115.64 112.37 2kan s THR 28 Ca 0.10 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.66 2kan s THR 28 Cb 0.00 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 2kan s THR 28 CO -0.03 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 2kan s VAL 29 N -0.86 1.56 -0.31 3.82 1.01 0.02 -4.95 120.40 120.69 2kan s VAL 29 Ca 0.14 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 2kan s VAL 29 Cb -0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2kan s VAL 29 CO 0.03 0.25 0.30 -1.61 0.00 0.00 0.00 175.10 174.07 2kan s GLU 30 N -0.95 3.74 0.17 2.72 2.02 -1.26 -1.06 118.70 124.07 2kan s GLU 30 Ca 0.07 -0.34 0.06 0.00 0.02 0.00 0.00 54.97 54.78 2kan s GLU 30 Cb -0.08 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 2kan s GLU 30 CO 0.01 -0.37 -0.13 0.14 0.02 0.00 0.00 175.26 174.93 2kan s VAL 31 N 1.91 1.49 0.46 2.63 -7.23 -0.88 -4.94 120.40 113.84 2kan s VAL 31 Ca 0.10 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 57.94 2kan s VAL 31 Cb -0.16 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.79 2kan s VAL 31 CO 0.11 -0.63 1.17 -0.62 -0.31 0.00 0.00 175.10 174.83 2kan s ASP 32 N -3.16 6.14 0.24 4.85 -1.08 -1.26 -0.30 116.67 122.10 2kan s ASP 32 Ca 0.19 2.32 0.25 0.00 -0.52 0.00 0.00 52.55 54.79 2kan s ASP 32 Cb -0.00 -2.60 0.90 0.00 -1.46 0.00 0.00 42.92 39.75 2kan s ASP 32 CO 0.04 -0.94 1.75 -2.11 0.52 0.00 0.00 175.17 174.43 2kan n ARG 33 N -0.50 0.23 -0.51 4.34 1.85 -1.26 -2.07 116.66 118.74 2kan n ARG 33 Ca 0.07 0.31 0.09 0.00 -1.00 0.00 0.00 57.85 57.33 2kan n ARG 33 Cb 0.48 -1.84 0.31 0.00 -1.05 0.00 0.00 32.46 30.36 2kan n ARG 33 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2kan n THR 34 N -2.26 1.74 -2.36 8.89 -2.24 -1.26 -3.22 114.28 113.57 2kan n THR 34 Ca 0.04 -1.26 -0.33 0.00 -2.27 0.00 0.00 64.05 60.22 2kan n THR 34 Cb 0.34 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.82 3.64 0.42 -0.78 2.12 -0.88 -4.74 118.70 116.66 2kan s GLU 35 Ca 0.45 1.27 -0.03 0.00 0.36 0.00 0.00 54.97 57.02 2kan s GLU 35 Cb 0.29 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 2kan s GLU 35 CO 0.21 -0.55 0.69 0.95 -0.54 0.00 0.00 175.26 176.02 2kan s THR 36 N -2.20 4.98 0.34 -1.70 -4.23 -1.26 -0.06 115.64 111.51 2kan s THR 36 Ca 0.65 -0.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.20 2kan s THR 36 Cb -0.16 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 70.00 2kan s THR 36 CO 0.27 -0.71 1.89 0.58 -0.54 0.00 0.00 174.62 176.11 2kan h VAL 37 N 0.49 1.19 -0.25 2.29 2.07 -0.58 -0.90 116.25 120.57 2kan h VAL 37 Ca -0.48 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 2kan h VAL 37 Cb 1.21 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2kan h VAL 37 CO 0.62 0.25 -0.17 -1.28 0.02 0.00 0.00 177.57 177.01 2kan h SER 38 N 0.50 0.42 1.53 0.57 0.87 -1.28 -0.90 113.55 115.26 2kan h SER 38 Ca 0.11 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 2kan h SER 38 Cb 0.30 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2kan h SER 38 CO 0.01 0.61 -0.40 -1.28 -0.53 0.00 0.00 176.83 175.24 2kan h SER 39 N 0.39 0.00 0.14 6.23 0.87 -1.62 -1.92 113.55 117.65 2kan h SER 39 Ca 0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2kan h SER 39 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2kan h SER 39 CO 0.03 0.40 -0.07 0.25 -0.53 0.00 0.00 176.83 176.92 2kan h LEU 40 N 0.00 -0.15 -1.77 2.23 5.85 -0.50 -2.29 115.31 118.67 2kan h LEU 40 Ca -0.00 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2kan h LEU 40 Cb 1.27 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2kan h LEU 40 CO 0.05 0.32 -0.09 0.11 -0.34 0.00 0.00 178.44 178.49 2kan h LYS 41 N -0.67 0.03 0.05 1.25 1.57 -1.24 -2.50 116.57 115.07 2kan h LYS 41 Ca -0.02 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kan h LYS 41 Cb 0.50 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2kan h LYS 41 CO 0.03 0.12 -0.02 0.22 -0.57 0.00 0.00 179.45 179.23 2kan h ASP 42 N 0.03 -0.06 -0.61 0.86 3.58 -1.21 -0.59 116.42 118.43 2kan h ASP 42 Ca 0.01 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2kan h ASP 42 Cb 0.18 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2kan h ASP 42 CO 0.01 -0.04 0.14 0.11 -2.88 0.00 0.00 179.24 176.58 2kan h LYS 43 N -0.07 0.99 -0.37 0.28 1.57 -1.05 -1.93 116.57 115.99 2kan h LYS 43 Ca -0.01 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2kan h LYS 43 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2kan h LYS 43 CO 0.01 0.90 0.19 0.82 -0.57 0.00 0.00 179.45 180.80 2kan h ILE 44 N 0.90 1.12 -0.02 1.86 2.04 -1.31 0.21 117.51 122.32 2kan h ILE 44 Ca 0.19 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 2kan h ILE 44 Cb 0.37 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2kan h ILE 44 CO 0.00 0.14 -0.48 -0.74 0.00 0.00 0.00 178.15 177.08 2kan h HIS 45 N 0.51 0.05 0.07 1.37 2.76 -0.43 0.40 115.15 119.87 2kan h HIS 45 Ca 0.13 -0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 58.03 2kan h HIS 45 Cb 0.04 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 29.00 2kan h HIS 45 CO 0.00 0.51 -1.09 0.82 -1.30 0.00 0.00 177.93 176.87 2kan h ILE 46 N 0.03 1.41 0.00 6.26 2.04 -0.47 -3.37 117.51 123.42 2kan h ILE 46 Ca -0.00 -2.66 -0.03 0.00 1.00 0.00 0.00 64.86 63.17 2kan h ILE 46 Cb 0.86 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2kan h ILE 46 CO 0.06 0.79 -0.17 0.58 0.00 0.00 0.00 178.15 179.41 2kan h VAL 47 N 0.18 1.40 -2.93 1.67 2.07 -0.90 -3.45 116.25 114.30 2kan h VAL 47 Ca -0.12 -2.11 -0.54 0.00 0.82 0.00 0.00 66.70 64.75 2kan h VAL 47 Cb 1.77 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 34.23 2kan h VAL 47 CO 0.19 0.47 -0.30 -1.61 0.02 0.00 0.00 177.57 176.35 2kan s GLU 48 N -2.15 3.55 -0.54 1.57 0.41 0.14 -4.99 118.70 116.69 2kan s GLU 48 Ca -0.18 -0.26 -0.05 0.00 -0.41 0.00 0.00 54.97 54.08 2kan s GLU 48 Cb -0.01 -2.80 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 2kan s GLU 48 CO 0.57 0.37 2.93 0.09 -0.49 0.00 0.00 175.26 178.74 2kan n ASN 49 N -0.65 6.55 -3.73 -0.19 3.02 -1.26 -4.46 115.26 114.53 2kan n ASN 49 Ca -0.04 -2.99 -0.21 0.00 -0.03 0.00 0.00 54.58 51.31 2kan n ASN 49 Cb 0.54 -1.32 -0.18 0.00 -0.61 0.00 0.00 39.78 38.21 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kan s THR 50 N -1.06 0.15 0.62 3.41 2.01 -1.26 -5.10 115.64 114.41 2kan s THR 50 Ca 0.61 0.25 -0.19 0.00 0.31 0.00 0.00 61.69 62.67 2kan s THR 50 Cb 0.33 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.46 2kan s THR 50 CO -0.14 0.22 1.27 -2.84 -0.69 0.00 0.00 174.62 172.43 2kan s PRO 51 N 1.98 2.78 0.46 4.92 0.02 -1.26 -4.40 135.00 139.49 2kan s PRO 51 Ca 0.04 1.99 0.16 0.00 0.02 0.00 0.00 61.00 63.21 2kan s PRO 51 Cb -0.12 -1.92 1.06 0.00 0.02 0.00 0.00 34.50 33.53 2kan s PRO 51 CO -0.04 -1.40 2.00 0.82 -0.33 0.00 0.00 177.00 178.05 2kan h ILE 52 N 0.77 1.07 0.00 2.83 2.04 -1.89 -1.28 117.51 121.06 2kan h ILE 52 Ca -0.51 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2kan h ILE 52 Cb 1.32 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2kan h ILE 52 CO 0.54 0.17 0.00 0.29 0.00 0.00 0.00 178.15 179.15 2kan n LYS 53 N -4.26 0.02 -0.02 2.37 5.02 -1.26 -3.08 118.16 116.95 2kan n LYS 53 Ca -0.02 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 2kan n LYS 53 Cb 0.24 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 2kan n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kan n ARG 54 N -1.58 0.71 -4.58 1.97 3.00 -0.50 -4.82 116.66 110.86 2kan n ARG 54 Ca 0.05 -0.13 -0.31 0.00 -0.01 0.00 0.00 57.85 57.45 2kan n ARG 54 Cb 0.24 -1.42 -0.12 0.00 0.00 0.00 0.00 32.46 31.16 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 -3.04 2.13 -0.00 5.56 0.23 -1.13 -0.71 119.30 122.34 2kan s MET 55 Ca -0.07 -0.96 0.07 0.00 -1.03 0.00 0.00 55.69 53.70 2kan s MET 55 Cb 0.10 -2.24 -0.02 0.00 -1.53 0.00 0.00 34.83 31.14 2kan s MET 55 CO 0.72 0.54 -0.22 -1.14 -2.03 0.00 0.00 175.02 172.90 2kan s GLN 56 N -1.52 1.66 -0.15 3.16 2.00 0.60 -4.86 119.66 120.56 2kan s GLN 56 Ca 0.16 -0.82 -0.10 0.00 -2.00 0.00 0.00 55.36 52.59 2kan s GLN 56 Cb -0.11 -1.66 -0.05 0.00 0.80 0.00 0.00 33.01 32.00 2kan s GLN 56 CO 0.06 0.45 0.19 -0.51 -0.50 0.00 0.00 175.29 174.98 2kan s LEU 57 N -0.69 4.30 -0.10 3.68 1.43 -1.26 -1.34 118.68 124.71 2kan s LEU 57 Ca 0.08 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2kan s LEU 57 Cb -0.08 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2kan s LEU 57 CO -0.00 0.25 -0.21 -0.31 0.23 0.00 0.00 176.35 176.31 2kan s TYR 58 N -0.21 2.29 -0.15 0.29 1.51 0.11 -0.51 117.35 120.68 2kan s TYR 58 Ca 0.13 -0.95 -0.01 0.00 -1.01 0.00 0.00 57.07 55.24 2kan s TYR 58 Cb -0.12 -1.56 0.04 0.00 -0.11 0.00 0.00 41.96 40.21 2kan s TYR 58 CO 0.02 -0.41 -0.06 -0.47 -1.11 0.00 0.00 175.55 173.53 2kan s TYR 59 N 0.48 1.60 -1.72 2.71 5.04 0.17 -0.73 117.35 124.91 2kan s TYR 59 Ca -0.16 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.52 2kan s TYR 59 Cb -0.17 -1.27 0.00 0.00 0.35 0.00 0.00 41.96 40.86 2kan s TYR 59 CO 0.06 -0.58 0.00 0.45 -1.34 0.00 0.00 175.55 174.15 2kan n SER 60 N 4.91 -5.46 0.00 4.32 2.88 -1.26 -0.37 113.62 118.64 2kan n SER 60 Ca -0.12 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2kan n SER 60 Cb 0.49 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kan n GLY 61 N -0.94 2.42 3.69 0.46 0.00 -1.26 -5.02 105.19 104.54 2kan n GLY 61 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.26 4.82 -0.31 -0.61 1.01 0.50 -5.00 121.20 119.35 2kan s ILE 62 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 2kan s ILE 62 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2kan s ILE 62 CO 0.00 0.05 1.12 -0.70 0.00 0.00 0.00 174.94 175.42 2kan s GLU 63 N 1.73 4.05 -1.35 2.79 2.12 -1.26 -0.66 118.70 126.11 2kan s GLU 63 Ca 0.48 1.13 -0.16 0.00 0.36 0.00 0.00 54.97 56.77 2kan s GLU 63 Cb -0.19 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.48 2kan s GLU 63 CO 0.20 -0.93 1.99 1.28 -0.54 0.00 0.00 175.26 177.26 2kan n LEU 64 N 6.99 5.78 0.06 2.70 4.77 0.33 -4.58 117.00 133.05 2kan n LEU 64 Ca 0.13 -3.96 0.04 0.00 -0.03 0.00 0.00 56.01 52.18 2kan n LEU 64 Cb 0.47 -1.68 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 2kan n LEU 64 CO 0.60 0.53 -0.15 0.00 -1.33 0.00 0.00 177.39 177.04 2kan h ALA 65 N 6.89 0.62 -1.19 -1.18 0.00 -1.92 -3.42 119.26 119.05 2kan h ALA 65 Ca 0.50 -0.57 -0.55 0.00 0.00 0.00 0.00 54.91 54.28 2kan h ALA 65 Cb 0.75 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2kan h ALA 65 CO 1.68 0.63 1.28 -0.51 0.00 0.00 0.00 179.25 182.33 2kan s ASP 66 N -5.70 6.23 0.25 0.00 1.01 -1.26 -4.81 116.67 112.39 2kan s ASP 66 Ca -0.02 -0.95 0.05 0.00 0.71 0.00 0.00 52.55 52.34 2kan s ASP 66 Cb 0.09 -2.56 0.31 0.00 1.01 0.00 0.00 42.92 41.76 2kan s ASP 66 CO 0.80 -1.75 1.60 0.44 0.21 0.00 0.00 175.17 176.47 2kan h ASP 67 N 10.21 0.25 1.17 0.27 3.32 -1.92 -2.84 116.42 126.88 2kan h ASP 67 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2kan h ASP 67 Cb 1.03 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2kan h ASP 67 CO 1.35 0.75 0.00 0.10 -1.72 0.00 0.00 179.24 179.73 2kan h TYR 68 N 0.18 0.00 -4.17 4.55 -0.00 -1.95 -0.12 116.97 115.46 2kan h TYR 68 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 58.73 58.24 2kan h TYR 68 Cb 1.02 0.00 0.07 0.00 -0.00 0.00 0.00 36.73 37.82 2kan h TYR 68 CO 0.02 0.00 0.38 1.03 -0.00 0.00 0.00 178.16 179.59 2kan s ARG 69 N -3.55 3.29 0.34 0.10 0.52 -1.07 -4.79 118.95 113.79 2kan s ARG 69 Ca 0.03 1.31 -0.07 0.00 -0.52 0.00 0.00 55.73 56.47 2kan s ARG 69 Cb 0.08 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.48 2kan s ARG 69 CO 0.55 -0.85 0.65 -0.80 0.02 0.00 0.00 175.30 174.87 2kan s ASN 70 N -2.53 6.48 0.22 0.23 -0.87 -1.26 -0.58 114.94 116.63 2kan s ASN 70 Ca 0.66 0.89 -0.06 0.00 -1.57 0.00 0.00 52.86 52.77 2kan s ASN 70 Cb -0.18 -2.22 0.20 0.00 -0.02 0.00 0.00 41.25 39.03 2kan s ASN 70 CO 0.34 -0.28 1.76 -0.07 -2.57 0.00 0.00 177.10 176.28 2kan h LEU 71 N 1.49 1.02 -2.08 0.60 3.38 -0.70 -2.38 115.31 116.63 2kan h LEU 71 Ca -0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 2kan h LEU 71 Cb 1.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2kan h LEU 71 CO 0.65 0.96 -0.06 -0.55 0.09 0.00 0.00 178.44 179.53 2kan h ASN 72 N 1.04 0.00 -0.28 -0.43 -1.07 -1.71 -0.61 115.58 112.52 2kan h ASN 72 Ca 0.22 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.52 2kan h ASN 72 Cb 0.32 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.55 2kan h ASN 72 CO -0.00 0.06 -0.07 -0.33 0.07 0.00 0.00 177.43 177.15 2kan h GLU 73 N 0.00 0.66 0.00 4.14 5.08 -1.77 -2.01 114.58 120.68 2kan h GLU 73 Ca -0.00 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 2kan h GLU 73 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2kan h GLU 73 CO 0.01 0.72 -0.70 1.88 -1.00 0.00 0.00 179.01 179.92 2kan h TYR 74 N 0.61 0.00 0.00 4.33 0.05 -1.37 -3.47 116.97 117.12 2kan h TYR 74 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2kan h TYR 74 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2kan h TYR 74 CO 0.02 0.70 0.00 0.41 -1.05 0.00 0.00 178.16 178.24 2kan n GLY 75 N 0.91 1.17 3.69 3.88 0.00 -0.76 -5.07 105.19 109.01 2kan n GLY 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.10 0.00 -0.61 1.01 -0.33 -4.94 121.20 117.44 2kan s ILE 76 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2kan s ILE 76 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2kan s ILE 76 CO 0.00 -0.01 0.00 1.07 0.00 0.00 0.00 174.94 176.00 2kan n THR 77 N 4.83 0.00 -1.67 2.92 5.66 -1.26 -4.18 114.28 120.59 2kan n THR 77 Ca 0.16 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.70 2kan n THR 77 Cb 0.41 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.15 2kan n THR 77 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kan n GLU 78 N 0.00 2.16 -2.34 1.09 2.13 -1.26 -2.13 120.64 120.29 2kan n GLU 78 Ca 0.00 0.78 -0.12 0.00 0.66 0.00 0.00 57.16 58.48 2kan n GLU 78 Cb 0.00 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.15 2kan n GLU 78 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2kan n PHE 79 N 3.92 -0.69 -2.85 4.31 3.01 0.18 -4.92 117.46 120.43 2kan n PHE 79 Ca 0.18 0.07 -0.39 0.00 1.01 0.00 0.00 57.45 58.32 2kan n PHE 79 Cb 0.29 -2.74 -0.06 0.00 -0.01 0.00 0.00 39.48 36.96 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2kan s SER 80 N -2.56 7.47 -0.26 4.37 1.04 -0.91 -4.87 113.70 117.99 2kan s SER 80 Ca 0.04 1.80 -0.17 0.00 0.48 0.00 0.00 55.95 58.11 2kan s SER 80 Cb -0.02 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 2kan s SER 80 CO 0.05 0.12 0.45 -0.70 0.98 0.00 0.00 173.24 174.15 2kan s GLU 81 N -1.39 4.06 -0.29 4.02 2.12 -1.26 -0.96 118.70 125.00 2kan s GLU 81 Ca 0.41 0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.90 2kan s GLU 81 Cb -0.23 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.53 2kan s GLU 81 CO 0.28 -0.30 0.05 0.42 -0.54 0.00 0.00 175.26 175.16 2kan s ILE 82 N 2.15 3.63 -0.20 -3.70 -1.09 0.14 -4.43 121.20 117.69 2kan s ILE 82 Ca 0.19 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.60 2kan s ILE 82 Cb -0.16 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2kan s ILE 82 CO 0.09 0.06 0.26 -0.69 -1.23 0.00 0.00 174.94 173.43 2kan s VAL 83 N 1.43 5.31 -0.35 2.92 1.01 0.10 -0.45 120.40 130.37 2kan s VAL 83 Ca 0.01 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2kan s VAL 83 Cb -0.18 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2kan s VAL 83 CO 0.01 0.34 0.18 -0.69 0.00 0.00 0.00 175.10 174.94 2kan s VAL 84 N 0.86 4.49 -0.13 2.92 1.01 -0.12 0.07 120.40 129.50 2kan s VAL 84 Ca 0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2kan s VAL 84 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kan s VAL 84 CO 0.04 -0.13 0.10 -0.36 0.00 0.00 0.00 175.10 174.76 2kan s PHE 85 N 1.56 3.45 -0.28 5.22 0.08 -0.45 -4.41 117.98 123.15 2kan s PHE 85 Ca 0.03 0.39 -0.12 0.00 0.12 0.00 0.00 56.93 57.35 2kan s PHE 85 Cb -0.18 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 2kan s PHE 85 CO 0.06 0.57 0.21 -0.51 -0.10 0.00 0.00 175.22 175.45 2kan s LEU 86 N -0.68 4.05 0.04 -0.37 1.43 -1.26 -0.29 118.68 121.60 2kan s LEU 86 Ca 0.12 0.00 0.25 0.00 -1.03 0.00 0.00 54.13 53.47 2kan s LEU 86 Cb -0.12 -2.16 0.42 0.00 0.03 0.00 0.00 46.19 44.37 2kan s LEU 86 CO 0.02 -0.08 1.35 0.29 0.23 0.00 0.00 176.35 178.17 2kan n LYS 87 N 5.10 0.10 -3.48 1.70 4.01 0.12 -4.65 118.16 121.06 2kan n LYS 87 Ca -0.13 0.02 -0.18 0.00 -0.51 0.00 0.00 58.31 57.51 2kan n LYS 87 Cb 0.52 -1.56 -0.12 0.00 -0.51 0.00 0.00 35.03 33.36 2kan n LYS 87 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2kan s SER 88 N -3.40 1.30 0.07 4.39 0.01 -1.12 -5.07 113.70 109.88 2kan s SER 88 Ca 0.09 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 2kan s SER 88 Cb 0.16 0.44 -0.07 0.00 0.21 0.00 0.00 66.02 66.77 2kan s SER 88 CO 0.71 -0.33 0.60 0.27 0.41 0.00 0.00 173.24 174.91 2kan s ILE 89 N 2.34 4.73 0.06 1.44 -5.25 -1.26 -4.83 121.20 118.42 2kan s ILE 89 Ca 0.07 1.28 0.03 0.00 -0.99 0.00 0.00 60.65 61.05 2kan s ILE 89 Cb -0.16 -3.93 -0.04 0.00 2.95 0.00 0.00 42.46 41.28 2kan s ILE 89 CO -0.13 0.53 0.01 0.54 -1.79 0.00 0.00 174.94 174.10 2kan s ASN 90 N -0.96 5.10 0.00 4.36 2.20 -1.26 -5.07 114.94 119.31 2kan s ASN 90 Ca 0.30 -0.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.12 2kan s ASN 90 Cb -0.20 -1.27 0.00 0.00 -2.00 0.00 0.00 41.25 37.78 2kan s ASN 90 CO 0.20 0.21 0.00 0.54 -2.94 0.00 0.00 177.10 175.11 2kan n ARG 91 N 0.87 0.00 0.07 3.55 1.74 -1.26 -4.92 116.66 116.70 2kan n ARG 91 Ca -0.12 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.05 2kan n ARG 91 Cb 0.52 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 2kan n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kan n ALA 92 N -1.93 2.44 -3.48 7.54 0.00 -1.26 -4.91 120.51 118.91 2kan n ALA 92 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 2kan n ALA 92 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.29 0.63 0.00 0.00 2.47 -1.26 -5.36 119.74 112.93 2kan s LYS 93 Ca -0.02 0.79 0.16 0.00 -1.56 0.00 0.00 55.97 55.34 2kan s LYS 93 Cb 0.10 0.28 0.13 0.00 -1.46 0.00 0.00 37.83 36.88 2kan s LYS 93 CO 0.81 -0.09 1.01 -3.47 0.16 0.00 0.00 175.35 173.78