#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 0.56 3.03 -5.12 0.00 -1.26 -4.80 105.19 97.60 2kan n GLY 2 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 2kan n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kan s HIS 3 N 0.00 1.55 0.21 1.61 2.46 -1.26 -5.13 115.29 114.74 2kan s HIS 3 Ca 0.00 -0.60 -0.18 0.00 0.47 0.00 0.00 55.06 54.75 2kan s HIS 3 Cb 0.00 -1.13 -0.08 0.00 -0.13 0.00 0.00 32.58 31.24 2kan s HIS 3 CO 0.00 -0.31 0.69 -1.01 -2.47 0.00 0.00 174.74 171.64 2kan s HIS 4 N 0.70 3.62 -0.92 3.88 4.02 -1.26 -5.02 115.29 120.31 2kan s HIS 4 Ca -0.14 1.30 -0.06 0.00 1.02 0.00 0.00 55.06 57.19 2kan s HIS 4 Cb -0.16 -2.56 0.23 0.00 -1.02 0.00 0.00 32.58 29.08 2kan s HIS 4 CO 0.03 0.34 0.84 -1.01 1.02 0.00 0.00 174.74 175.96 2kan s HIS 5 N -1.54 3.94 -0.47 1.40 3.76 -1.26 -4.95 115.29 116.16 2kan s HIS 5 Ca 0.43 -2.77 0.06 0.00 -0.15 0.00 0.00 55.06 52.63 2kan s HIS 5 Cb -0.16 -3.49 0.18 0.00 1.11 0.00 0.00 32.58 30.22 2kan s HIS 5 CO 0.20 -0.84 0.57 -1.58 -0.85 0.00 0.00 174.74 172.23 2kan s HIS 6 N -0.99 -0.58 0.00 1.40 5.04 -1.26 -4.90 115.29 113.99 2kan s HIS 6 Ca 0.26 -1.18 0.00 0.00 -1.54 0.00 0.00 55.06 52.60 2kan s HIS 6 Cb -0.10 -0.16 0.00 0.00 0.04 0.00 0.00 32.58 32.36 2kan s HIS 6 CO -0.10 -1.10 0.00 1.58 -2.34 0.00 0.00 174.74 172.79 2kan n HIS 7 N 3.04 0.00 -1.18 3.88 -0.00 -1.26 -5.02 115.22 114.67 2kan n HIS 7 Ca 0.22 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.21 2kan n HIS 7 Cb 0.52 0.00 0.22 0.00 -0.12 0.00 0.00 29.99 30.61 2kan n HIS 7 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kan n HIS 8 N 0.00 2.88 -3.97 1.57 8.25 -1.26 -4.88 115.22 117.81 2kan n HIS 8 Ca 0.00 -1.67 -0.13 0.00 -0.26 0.00 0.00 57.72 55.66 2kan n HIS 8 Cb 0.00 -0.87 -0.14 0.00 1.12 0.00 0.00 29.99 30.10 2kan n HIS 8 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kan s SER 9 N -1.24 0.23 0.09 0.41 1.04 -1.26 -5.15 113.70 107.81 2kan s SER 9 Ca 0.56 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.79 2kan s SER 9 Cb 0.47 -0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 2kan s SER 9 CO 0.12 -0.01 0.46 -2.28 0.98 0.00 0.00 173.24 172.51 2kan s HIS 10 N -0.18 3.63 -1.36 5.02 2.46 -1.26 -3.93 115.29 119.67 2kan s HIS 10 Ca -0.01 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.46 2kan s HIS 10 Cb -0.02 -2.26 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 2kan s HIS 10 CO -0.00 0.52 0.00 0.00 -2.47 0.00 0.00 174.74 172.79 2kan n ALA 11 N 1.08 -0.32 -1.66 1.58 0.00 -1.26 -5.00 120.51 114.93 2kan n ALA 11 Ca -0.08 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 2kan n ALA 11 Cb 0.52 -1.62 0.13 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.29 -0.94 -1.78 0.00 0.00 -1.25 -5.00 120.51 111.25 2kan n ALA 12 Ca -0.16 -1.15 -0.41 0.00 0.00 0.00 0.00 53.44 51.72 2kan n ALA 12 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.86 2.21 -0.20 0.00 0.11 -1.26 -5.00 120.40 113.40 2kan s VAL 13 Ca 0.49 0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 59.65 2kan s VAL 13 Cb -0.01 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.66 2kan s VAL 13 CO 0.35 0.04 0.12 -0.13 -3.33 0.00 0.00 175.10 172.15 2kan s ARG 14 N -1.50 4.15 0.32 1.54 0.52 -1.26 -5.02 118.95 117.71 2kan s ARG 14 Ca 0.55 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.23 2kan s ARG 14 Cb -0.45 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 31.52 2kan s ARG 14 CO 0.56 0.29 1.40 0.15 0.02 0.00 0.00 175.30 177.73 2kan s LYS 15 N 0.37 4.26 0.06 3.54 3.01 -1.26 -4.39 119.74 125.32 2kan s LYS 15 Ca 0.07 2.35 -0.11 0.00 -1.01 0.00 0.00 55.97 57.26 2kan s LYS 15 Cb -0.11 -3.05 -0.06 0.00 -1.01 0.00 0.00 37.83 33.60 2kan s LYS 15 CO -0.02 -0.36 0.41 0.96 0.51 0.00 0.00 175.35 176.86 2kan s ILE 16 N -0.78 5.07 -0.54 2.17 -4.36 0.12 -4.84 121.20 118.05 2kan s ILE 16 Ca 0.53 0.57 -0.19 0.00 -0.26 0.00 0.00 60.65 61.31 2kan s ILE 16 Cb -0.42 -3.66 0.08 0.00 1.25 0.00 0.00 42.46 39.70 2kan s ILE 16 CO 0.53 0.36 0.63 -1.00 0.24 0.00 0.00 174.94 175.70 2kan s HIS 17 N -1.32 3.06 0.11 1.37 3.76 -1.26 -1.75 115.29 119.26 2kan s HIS 17 Ca 0.31 -0.76 -0.15 0.00 -0.15 0.00 0.00 55.06 54.31 2kan s HIS 17 Cb -0.15 -3.69 -0.07 0.00 1.11 0.00 0.00 32.58 29.79 2kan s HIS 17 CO 0.17 -1.11 0.52 0.14 -0.85 0.00 0.00 174.74 173.61 2kan s VAL 18 N 2.52 4.88 -0.43 -0.90 -7.23 -0.49 0.20 120.40 118.95 2kan s VAL 18 Ca 0.12 0.85 -0.20 0.00 -1.81 0.00 0.00 61.98 60.95 2kan s VAL 18 Cb -0.22 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 32.99 2kan s VAL 18 CO 0.09 0.34 0.59 -0.89 -0.31 0.00 0.00 175.10 174.92 2kan s THR 19 N -1.35 4.90 -0.37 5.32 2.01 0.20 -1.25 115.64 125.09 2kan s THR 19 Ca 0.34 -0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 2kan s THR 19 Cb -0.16 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2kan s THR 19 CO 0.18 -0.55 0.54 -0.69 -0.69 0.00 0.00 174.62 173.40 2kan s VAL 20 N 2.64 4.98 -0.44 3.82 1.01 0.97 0.22 120.40 133.60 2kan s VAL 20 Ca 0.20 0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 2kan s VAL 20 Cb -0.15 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2kan s VAL 20 CO 0.18 -0.30 0.42 -0.54 0.00 0.00 0.00 175.10 174.86 2kan s LYS 21 N 2.46 3.05 0.12 2.72 1.02 0.55 -1.96 119.74 127.69 2kan s LYS 21 Ca 0.19 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.27 2kan s LYS 21 Cb -0.15 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 2kan s LYS 21 CO 0.14 -0.90 0.19 -0.06 -0.92 0.00 0.00 175.35 173.79 2kan s PHE 22 N 2.01 3.33 0.59 3.18 0.40 -0.22 -0.61 117.98 126.66 2kan s PHE 22 Ca 0.09 0.09 0.30 0.00 -0.60 0.00 0.00 56.93 56.82 2kan s PHE 22 Cb -0.19 -1.63 1.79 0.00 0.51 0.00 0.00 43.02 43.50 2kan s PHE 22 CO 0.11 0.53 2.20 -1.00 0.70 0.00 0.00 175.22 177.77 2kan h PRO 23 N 2.63 0.00 0.00 0.24 0.13 -1.98 -2.94 132.00 130.08 2kan h PRO 23 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2kan h PRO 23 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kan h PRO 23 CO 0.68 0.00 -0.19 0.77 -0.23 0.00 0.00 178.00 179.03 2kan h SER 24 N 0.00 0.00 -5.21 1.44 0.02 -1.97 -3.50 113.55 104.33 2kan h SER 24 Ca 0.03 -0.48 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 2kan h SER 24 Cb 0.18 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 2kan h SER 24 CO -0.00 0.85 -0.02 -1.59 -1.14 0.00 0.00 176.83 174.92 2kan s LYS 25 N -1.99 1.71 -0.02 3.45 -2.85 -1.11 -5.17 119.74 113.76 2kan s LYS 25 Ca -0.13 -1.29 0.07 0.00 -1.00 0.00 0.00 55.97 53.63 2kan s LYS 25 Cb -0.00 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 2kan s LYS 25 CO 0.38 -0.74 -0.25 -1.14 0.10 0.00 0.00 175.35 173.70 2kan s GLN 26 N -3.69 2.07 0.16 1.78 0.74 -1.26 -1.06 119.66 118.40 2kan s GLN 26 Ca 0.21 -0.88 -0.15 0.00 0.05 0.00 0.00 55.36 54.58 2kan s GLN 26 Cb -0.02 -1.96 0.02 0.00 1.10 0.00 0.00 33.01 32.15 2kan s GLN 26 CO 0.10 0.51 0.43 -0.59 -0.55 0.00 0.00 175.29 175.20 2kan s PHE 27 N -0.52 -0.06 -0.04 1.67 -0.71 -0.83 -5.01 117.98 112.48 2kan s PHE 27 Ca 0.08 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.68 2kan s PHE 27 Cb -0.10 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2kan s PHE 27 CO -0.00 -0.80 0.02 0.99 -1.34 0.00 0.00 175.22 174.09 2kan s THR 28 N -3.86 4.40 -0.01 -4.49 2.01 -1.26 -0.02 115.64 112.41 2kan s THR 28 Ca 0.08 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.75 2kan s THR 28 Cb 0.01 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2kan s THR 28 CO -0.06 0.47 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.50 2kan s VAL 29 N -1.03 1.24 -0.26 3.82 1.01 -0.38 -4.95 120.40 119.85 2kan s VAL 29 Ca 0.18 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 2kan s VAL 29 Cb -0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2kan s VAL 29 CO 0.08 0.32 0.73 -1.61 0.00 0.00 0.00 175.10 174.62 2kan s GLU 30 N -0.44 4.11 0.04 2.72 2.02 -1.26 -1.39 118.70 124.50 2kan s GLU 30 Ca 0.06 0.71 0.04 0.00 0.02 0.00 0.00 54.97 55.79 2kan s GLU 30 Cb -0.06 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 2kan s GLU 30 CO -0.00 -0.50 -0.11 0.14 0.02 0.00 0.00 175.26 174.81 2kan s VAL 31 N 2.70 0.86 0.67 2.63 -7.23 -0.72 -4.97 120.40 114.34 2kan s VAL 31 Ca 0.30 -0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 59.34 2kan s VAL 31 Cb -0.15 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 35.97 2kan s VAL 31 CO 0.09 -0.14 1.11 -0.62 -0.31 0.00 0.00 175.10 175.22 2kan s ASP 32 N -1.27 5.08 0.45 4.85 -1.08 -1.26 0.16 116.67 123.60 2kan s ASP 32 Ca -0.03 1.97 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 2kan s ASP 32 Cb -0.08 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.58 2kan s ASP 32 CO 0.01 -1.65 1.75 -0.09 0.52 0.00 0.00 175.17 175.71 2kan h ARG 33 N -0.08 0.00 -0.66 4.34 2.43 -1.93 -1.84 114.38 116.64 2kan h ARG 33 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2kan h ARG 33 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2kan h ARG 33 CO 0.54 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 179.25 2kan n THR 34 N -2.98 1.72 -1.75 0.20 -2.24 -1.26 -2.08 114.28 105.89 2kan n THR 34 Ca 0.03 -1.18 -0.42 0.00 -2.27 0.00 0.00 64.05 60.22 2kan n THR 34 Cb 0.43 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.73 4.11 0.58 -0.78 2.56 -0.69 -4.66 118.70 118.10 2kan s GLU 35 Ca 0.51 2.60 -0.17 0.00 0.00 0.00 0.00 54.97 57.91 2kan s GLU 35 Cb 0.32 -3.03 -0.04 0.00 2.00 0.00 0.00 34.13 33.38 2kan s GLU 35 CO 0.26 -0.68 1.08 0.95 -0.56 0.00 0.00 175.26 176.31 2kan s THR 36 N 0.31 3.52 0.47 -1.70 -4.23 -1.26 -0.04 115.64 112.71 2kan s THR 36 Ca 0.67 0.80 0.13 0.00 -1.18 0.00 0.00 61.69 62.11 2kan s THR 36 Cb -0.49 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.29 2kan s THR 36 CO 0.44 -0.34 2.08 0.58 -0.54 0.00 0.00 174.62 176.84 2kan h VAL 37 N 0.71 1.06 -0.92 2.29 2.07 -0.56 -0.49 116.25 120.42 2kan h VAL 37 Ca -0.48 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2kan h VAL 37 Cb 1.24 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2kan h VAL 37 CO 0.57 0.08 0.54 -1.28 0.02 0.00 0.00 177.57 177.50 2kan h SER 38 N 0.16 1.12 1.45 0.57 0.87 -1.59 -2.39 113.55 113.75 2kan h SER 38 Ca 0.04 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.41 2kan h SER 38 Cb 0.07 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2kan h SER 38 CO -0.00 0.87 -0.52 0.28 -0.53 0.00 0.00 176.83 176.93 2kan h SER 39 N 1.28 0.00 0.21 6.23 0.02 -1.43 0.21 113.55 120.07 2kan h SER 39 Ca 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2kan h SER 39 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2kan h SER 39 CO -0.06 0.52 -0.10 0.25 -1.14 0.00 0.00 176.83 176.30 2kan h LEU 40 N 0.00 -0.24 -0.78 5.07 5.85 -0.94 -1.27 115.31 123.00 2kan h LEU 40 Ca -0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2kan h LEU 40 Cb 1.39 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 2kan h LEU 40 CO 0.07 -0.15 0.23 0.11 -0.34 0.00 0.00 178.44 178.36 2kan h LYS 41 N -0.31 1.14 -0.12 1.25 1.57 -1.35 -2.69 116.57 116.06 2kan h LYS 41 Ca -0.03 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2kan h LYS 41 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2kan h LYS 41 CO 0.05 0.97 -0.07 0.22 -0.57 0.00 0.00 179.45 180.05 2kan h ASP 42 N 1.10 -0.24 0.33 0.86 3.58 -0.69 0.11 116.42 121.46 2kan h ASP 42 Ca 0.24 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.60 2kan h ASP 42 Cb 0.31 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2kan h ASP 42 CO -0.01 -0.10 -0.58 0.11 -2.88 0.00 0.00 179.24 175.78 2kan h LYS 43 N -0.07 0.26 -0.47 0.28 1.57 -1.22 -1.87 116.57 115.05 2kan h LYS 43 Ca 0.07 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2kan h LYS 43 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2kan h LYS 43 CO -0.17 0.77 0.13 0.82 -0.57 0.00 0.00 179.45 180.44 2kan h ILE 44 N 0.20 1.20 0.00 1.86 2.04 -1.11 -0.72 117.51 120.98 2kan h ILE 44 Ca -0.00 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 2kan h ILE 44 Cb 1.08 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2kan h ILE 44 CO 0.09 0.25 -0.40 -0.74 0.00 0.00 0.00 178.15 177.35 2kan h HIS 45 N 0.68 0.00 -0.03 1.37 2.76 -0.22 0.74 115.15 120.44 2kan h HIS 45 Ca 0.16 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.08 2kan h HIS 45 Cb 0.22 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.20 2kan h HIS 45 CO 0.01 0.40 -0.93 0.82 -1.30 0.00 0.00 177.93 176.94 2kan h ILE 46 N 0.00 1.30 0.02 6.26 2.04 -0.68 -3.36 117.51 123.08 2kan h ILE 46 Ca -0.00 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.70 2kan h ILE 46 Cb 0.76 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2kan h ILE 46 CO 0.05 0.67 -0.01 0.58 0.00 0.00 0.00 178.15 179.44 2kan h VAL 47 N 0.36 1.49 -2.94 1.67 2.07 -1.00 -3.46 116.25 114.44 2kan h VAL 47 Ca -0.11 -1.91 -0.63 0.00 0.82 0.00 0.00 66.70 64.87 2kan h VAL 47 Cb 1.58 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 34.01 2kan h VAL 47 CO 0.18 0.47 -0.52 -1.61 0.02 0.00 0.00 177.57 176.11 2kan s GLU 48 N -2.63 3.32 -0.03 1.57 0.41 0.26 -5.00 118.70 116.61 2kan s GLU 48 Ca -0.16 -0.44 0.07 0.00 -0.41 0.00 0.00 54.97 54.03 2kan s GLU 48 Cb -0.02 -3.00 0.26 0.00 -1.78 0.00 0.00 34.13 29.60 2kan s GLU 48 CO 0.61 0.63 1.12 0.27 -0.49 0.00 0.00 175.26 177.40 2kan n ASN 49 N 0.60 1.89 -4.71 -0.19 6.94 -1.26 -4.14 115.26 114.40 2kan n ASN 49 Ca -0.08 -2.11 -0.42 0.00 -0.02 0.00 0.00 54.58 51.95 2kan n ASN 49 Cb 0.52 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2kan s THR 50 N -1.64 4.87 0.28 5.53 2.01 -1.26 -5.01 115.64 120.42 2kan s THR 50 Ca 0.19 2.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.89 2kan s THR 50 Cb 0.11 -4.30 -0.12 0.00 0.01 0.00 0.00 72.50 68.21 2kan s THR 50 CO 0.10 0.13 1.51 -2.65 -0.69 0.00 0.00 174.62 173.03 2kan n PRO 51 N 4.12 2.44 -0.18 4.92 -0.02 -1.26 -4.61 135.00 140.42 2kan n PRO 51 Ca 0.06 0.87 -0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2kan n PRO 51 Cb 0.51 -2.59 0.24 0.00 -0.02 0.00 0.00 33.50 31.63 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 3.18 1.20 0.00 4.25 2.04 -1.91 -1.70 117.51 124.56 2kan h ILE 52 Ca -0.46 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2kan h ILE 52 Cb 1.25 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2kan h ILE 52 CO 0.76 0.22 0.00 0.29 0.00 0.00 0.00 178.15 179.42 2kan n LYS 53 N -4.38 0.19 -0.06 2.37 5.02 -1.26 -3.29 118.16 116.75 2kan n LYS 53 Ca 0.07 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 56.73 2kan n LYS 53 Cb 0.09 -1.88 -0.10 0.00 -0.02 0.00 0.00 35.03 33.12 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 -2.25 1.84 -2.98 1.97 1.74 -0.71 -4.88 116.66 111.39 2kan n ARG 54 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 2kan n ARG 54 Cb 0.22 -1.32 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kan s MET 55 N -2.31 3.73 -0.15 5.56 0.23 -0.77 -0.38 119.30 125.22 2kan s MET 55 Ca -0.07 0.26 -0.06 0.00 -1.03 0.00 0.00 55.69 54.78 2kan s MET 55 Cb 0.04 -3.81 -0.04 0.00 -1.53 0.00 0.00 34.83 29.48 2kan s MET 55 CO 0.51 -0.84 0.07 -1.14 -2.03 0.00 0.00 175.02 171.59 2kan s GLN 56 N 3.05 3.67 -0.16 3.16 2.00 -0.45 -4.86 119.66 126.07 2kan s GLN 56 Ca 0.30 -0.29 -0.16 0.00 -2.00 0.00 0.00 55.36 53.21 2kan s GLN 56 Cb -0.13 -3.14 -0.04 0.00 0.80 0.00 0.00 33.01 30.49 2kan s GLN 56 CO 0.17 0.49 0.38 -0.51 -0.50 0.00 0.00 175.29 175.32 2kan s LEU 57 N -0.23 4.22 -0.11 3.68 1.43 -1.26 -0.45 118.68 125.96 2kan s LEU 57 Ca 0.08 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2kan s LEU 57 Cb -0.12 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 2kan s LEU 57 CO 0.01 0.01 -0.22 -0.31 0.23 0.00 0.00 176.35 176.07 2kan s TYR 58 N 0.82 2.60 -0.14 0.29 1.51 0.40 -0.29 117.35 122.54 2kan s TYR 58 Ca 0.20 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 2kan s TYR 58 Cb -0.14 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2kan s TYR 58 CO 0.07 -0.41 -0.12 -0.47 -1.11 0.00 0.00 175.55 173.51 2kan s TYR 59 N 0.38 1.96 0.00 2.71 5.04 0.93 -1.20 117.35 127.16 2kan s TYR 59 Ca -0.17 -1.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.40 2kan s TYR 59 Cb -0.18 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.66 2kan s TYR 59 CO 0.08 -0.61 0.00 0.45 -1.34 0.00 0.00 175.55 174.13 2kan n SER 60 N 4.77 0.00 -0.45 4.32 2.88 -1.26 -0.58 113.62 123.31 2kan n SER 60 Ca -0.16 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.39 2kan n SER 60 Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 0.89 3.23 0.46 0.00 -1.26 -5.07 105.19 103.43 2kan n GLY 61 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.29 2.00 0.12 -0.61 1.01 0.26 -5.12 121.20 118.56 2kan s ILE 62 Ca 0.03 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 2kan s ILE 62 Cb 0.03 -1.71 -0.07 0.00 0.01 0.00 0.00 42.46 40.71 2kan s ILE 62 CO 0.00 0.55 0.73 -1.83 0.00 0.00 0.00 174.94 174.39 2kan s GLU 63 N 0.14 4.48 -1.37 2.79 -1.05 -1.26 -0.05 118.70 122.38 2kan s GLU 63 Ca -0.12 1.05 -0.15 0.00 -0.15 0.00 0.00 54.97 55.60 2kan s GLU 63 Cb -0.16 -3.28 0.08 0.00 -0.44 0.00 0.00 34.13 30.33 2kan s GLU 63 CO 0.06 0.52 1.97 1.28 0.95 0.00 0.00 175.26 180.04 2kan n LEU 64 N 1.92 6.14 -0.01 1.83 4.77 0.60 -4.67 117.00 127.58 2kan n LEU 64 Ca -0.06 -4.17 -0.17 0.00 -0.03 0.00 0.00 56.01 51.58 2kan n LEU 64 Cb 0.49 -1.66 -0.10 0.00 -2.33 0.00 0.00 43.42 39.83 2kan n LEU 64 CO 0.45 0.83 0.30 0.00 -1.33 0.00 0.00 177.39 177.65 2kan h ALA 65 N 6.52 0.13 -2.29 -1.18 0.00 -1.93 -3.44 119.26 117.06 2kan h ALA 65 Ca 0.49 -0.54 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 2kan h ALA 65 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kan h ALA 65 CO 1.68 0.37 1.17 -0.51 0.00 0.00 0.00 179.25 181.95 2kan s ASP 66 N -6.72 6.53 -0.09 0.00 1.11 -1.26 -4.86 116.67 111.37 2kan s ASP 66 Ca -0.13 2.41 0.17 0.00 0.18 0.00 0.00 52.55 55.18 2kan s ASP 66 Cb 0.04 -2.53 -0.23 0.00 1.07 0.00 0.00 42.92 41.27 2kan s ASP 66 CO 0.82 -1.02 0.39 -0.67 1.18 0.00 0.00 175.17 175.88 2kan n ASP 67 N 7.49 0.34 -0.20 0.27 2.03 -1.26 -4.24 116.55 120.98 2kan n ASP 67 Ca 0.19 0.16 0.14 0.00 0.52 0.00 0.00 54.79 55.80 2kan n ASP 67 Cb 0.42 0.76 0.56 0.00 -0.72 0.00 0.00 41.12 42.14 2kan n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kan n TYR 68 N -2.77 0.00 -2.60 -0.67 4.11 -1.26 -1.78 117.16 112.19 2kan n TYR 68 Ca -0.21 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.46 2kan n TYR 68 Cb 0.99 -0.13 0.04 0.00 -0.00 0.00 0.00 39.34 40.24 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 -2.38 2.61 0.28 -3.48 0.52 -1.26 -4.87 118.95 110.37 2kan s ARG 69 Ca 0.30 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 2kan s ARG 69 Cb 0.20 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 2kan s ARG 69 CO 0.46 -0.72 0.42 -0.80 0.02 0.00 0.00 175.30 174.67 2kan s ASN 70 N -4.39 6.27 0.41 0.23 -0.87 -1.26 -0.10 114.94 115.22 2kan s ASN 70 Ca 0.56 0.14 0.10 0.00 -1.57 0.00 0.00 52.86 52.09 2kan s ASN 70 Cb -0.10 -1.84 0.85 0.00 -0.02 0.00 0.00 41.25 40.14 2kan s ASN 70 CO 0.40 -0.17 1.96 -0.07 -2.57 0.00 0.00 177.10 176.65 2kan h LEU 71 N 1.03 0.22 -1.96 0.60 3.38 -0.58 -1.74 115.31 116.27 2kan h LEU 71 Ca -0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 2kan h LEU 71 Cb 1.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kan h LEU 71 CO 0.60 0.33 -0.09 -0.55 0.09 0.00 0.00 178.44 178.82 2kan h ASN 72 N 0.23 0.00 -0.40 -0.43 -1.07 -1.69 -2.01 115.58 110.21 2kan h ASN 72 Ca 0.05 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.45 2kan h ASN 72 Cb 0.28 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.51 2kan h ASN 72 CO 0.01 0.09 0.27 -0.33 0.07 0.00 0.00 177.43 177.55 2kan h GLU 73 N 0.00 0.41 -0.01 4.14 4.39 -1.63 -0.52 114.58 121.37 2kan h GLU 73 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kan h GLU 73 Cb 0.19 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2kan h GLU 73 CO 0.01 0.27 -0.14 0.66 -1.16 0.00 0.00 179.01 178.66 2kan n TYR 74 N -4.48 0.00 -2.22 4.33 4.01 -0.77 -4.92 117.16 113.11 2kan n TYR 74 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 2kan n TYR 74 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2kan n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kan n GLY 75 N 1.26 0.18 3.71 2.72 0.00 -0.20 -4.98 105.19 107.87 2kan n GLY 75 Ca 0.15 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.42 3.65 0.32 -0.61 1.01 -1.12 -5.03 121.20 117.00 2kan s ILE 76 Ca 0.03 1.14 0.04 0.00 0.00 0.00 0.00 60.65 61.86 2kan s ILE 76 Cb -0.01 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2kan s ILE 76 CO 0.03 0.06 0.37 1.07 0.00 0.00 0.00 174.94 176.47 2kan n THR 77 N 4.17 0.00 -3.11 2.92 5.66 -1.26 -4.78 114.28 117.88 2kan n THR 77 Ca 0.11 -1.15 -0.35 0.00 -3.05 0.00 0.00 64.05 59.62 2kan n THR 77 Cb 0.44 -0.53 -0.06 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 -3.40 4.15 -1.42 1.09 2.12 -1.26 -3.55 118.70 116.43 2kan s GLU 78 Ca 0.28 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.40 2kan s GLU 78 Cb -0.02 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.68 2kan s GLU 78 CO 0.18 0.29 0.00 0.34 -0.54 0.00 0.00 175.26 175.53 2kan n PHE 79 N 0.25 -0.42 -2.26 5.30 7.35 0.13 -4.95 117.46 122.85 2kan n PHE 79 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 2kan n PHE 79 Cb 0.52 -2.94 -0.03 0.00 0.35 0.00 0.00 39.48 37.37 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2kan s SER 80 N -2.53 6.95 -0.69 -2.13 1.04 -1.23 -4.66 113.70 110.45 2kan s SER 80 Ca 0.00 2.35 -0.24 0.00 0.48 0.00 0.00 55.95 58.54 2kan s SER 80 Cb 0.00 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.57 2kan s SER 80 CO 0.00 -0.48 1.07 -0.70 0.98 0.00 0.00 173.24 174.11 2kan s GLU 81 N -0.18 3.14 -0.48 4.02 2.12 -1.26 -0.62 118.70 125.44 2kan s GLU 81 Ca 0.55 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 55.01 2kan s GLU 81 Cb -0.35 -4.23 0.04 0.00 0.26 0.00 0.00 34.13 29.85 2kan s GLU 81 CO 0.38 -1.92 0.73 0.42 -0.54 0.00 0.00 175.26 174.33 2kan s ILE 82 N 4.58 4.70 -0.35 -3.70 -1.09 0.13 -4.58 121.20 120.91 2kan s ILE 82 Ca 0.26 0.08 -0.20 0.00 -2.23 0.00 0.00 60.65 58.56 2kan s ILE 82 Cb -0.14 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 2kan s ILE 82 CO 0.11 -0.78 0.64 -0.69 -1.23 0.00 0.00 174.94 172.99 2kan s VAL 83 N 3.12 4.90 -0.54 2.92 1.01 -0.34 -0.33 120.40 131.13 2kan s VAL 83 Ca 0.24 0.65 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 2kan s VAL 83 Cb -0.14 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.24 2kan s VAL 83 CO 0.18 -0.28 0.68 -0.69 0.00 0.00 0.00 175.10 175.00 2kan s VAL 84 N 2.69 4.80 -0.36 2.92 1.01 0.22 -0.45 120.40 131.23 2kan s VAL 84 Ca 0.25 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 2kan s VAL 84 Cb -0.15 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2kan s VAL 84 CO 0.14 -0.95 0.62 -0.36 0.00 0.00 0.00 175.10 174.55 2kan s PHE 85 N 2.80 3.15 -0.12 5.22 0.08 0.40 -4.49 117.98 125.03 2kan s PHE 85 Ca 0.15 0.31 -0.29 0.00 0.12 0.00 0.00 56.93 57.22 2kan s PHE 85 Cb -0.20 -3.11 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 2kan s PHE 85 CO 0.11 -0.62 0.98 -0.51 -0.10 0.00 0.00 175.22 175.08 2kan s LEU 86 N 2.66 4.23 0.00 -0.37 1.43 -1.26 -1.34 118.68 124.03 2kan s LEU 86 Ca 0.23 1.47 0.18 0.00 -1.03 0.00 0.00 54.13 54.99 2kan s LEU 86 Cb -0.15 -3.51 0.98 0.00 0.03 0.00 0.00 46.19 43.54 2kan s LEU 86 CO 0.15 -0.46 1.64 0.29 0.23 0.00 0.00 176.35 178.21 2kan n LYS 87 N 5.13 1.19 -3.63 1.70 4.76 0.49 -4.62 118.16 123.17 2kan n LYS 87 Ca 0.08 -0.28 -0.14 0.00 -2.87 0.00 0.00 58.31 55.10 2kan n LYS 87 Cb 0.49 -1.31 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 2kan n LYS 87 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2kan s SER 88 N -1.55 0.53 0.00 4.39 0.15 -1.26 -4.99 113.70 110.96 2kan s SER 88 Ca 0.28 0.45 0.15 0.00 0.70 0.00 0.00 55.95 57.52 2kan s SER 88 Cb 0.13 0.63 0.15 0.00 -1.71 0.00 0.00 66.02 65.23 2kan s SER 88 CO 0.22 -0.25 1.01 2.30 1.20 0.00 0.00 173.24 177.72 2kan n ILE 89 N 5.34 0.13 -2.04 6.45 -0.00 -1.26 -4.96 119.36 123.02 2kan n ILE 89 Ca -0.06 -0.57 -0.42 0.00 -0.00 0.00 0.00 62.75 61.71 2kan n ILE 89 Cb 0.50 1.20 -0.03 0.00 -0.00 0.00 0.00 39.64 41.31 2kan n ILE 89 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2kan s ASN 90 N -1.19 6.69 -0.15 7.28 3.84 -1.26 -2.71 114.94 127.44 2kan s ASN 90 Ca 0.19 2.60 0.00 0.00 0.21 0.00 0.00 52.86 55.86 2kan s ASN 90 Cb 0.13 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2kan s ASN 90 CO 0.19 -0.69 0.00 0.54 -2.79 0.00 0.00 177.10 174.34 2kan n ARG 91 N 2.75 -0.62 -2.55 0.43 1.74 -1.26 -4.96 116.66 112.19 2kan n ARG 91 Ca 0.08 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 57.03 2kan n ARG 91 Cb 0.40 -3.84 -0.03 0.00 -1.02 0.00 0.00 32.46 27.98 2kan n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kan s ALA 92 N -1.79 2.74 -0.19 7.54 0.00 -1.10 -4.96 121.76 124.00 2kan s ALA 92 Ca 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.52 2kan s ALA 92 Cb 0.00 -4.28 0.05 0.00 0.00 0.00 0.00 23.12 18.88 2kan s ALA 92 CO 0.00 -3.32 -0.06 0.21 0.00 0.00 0.00 175.76 172.59 2kan s LYS 93 N 5.69 1.56 0.00 0.00 2.47 -1.26 -5.14 119.74 123.06 2kan s LYS 93 Ca 0.36 -0.68 0.05 0.00 -1.56 0.00 0.00 55.97 54.13 2kan s LYS 93 Cb -0.07 -2.23 0.04 0.00 -1.46 0.00 0.00 37.83 34.10 2kan s LYS 93 CO 0.13 -0.48 0.65 -0.25 0.16 0.00 0.00 175.35 175.56