#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 1.46 3.55 3.03 0.00 -1.26 -4.89 105.19 107.08 2kan n GLY 2 Ca 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 1.37 -0.68 1.61 2.46 -1.26 -4.08 115.29 114.71 2kan s HIS 3 Ca 0.00 1.18 -0.13 0.00 0.47 0.00 0.00 55.06 56.58 2kan s HIS 3 Cb 0.00 -3.84 0.02 0.00 -0.13 0.00 0.00 32.58 28.63 2kan s HIS 3 CO 0.00 -2.42 0.63 1.58 -2.47 0.00 0.00 174.74 172.07 2kan n HIS 4 N 14.34 -2.47 -3.70 3.88 -0.00 -1.26 -5.01 115.22 121.01 2kan n HIS 4 Ca 0.28 1.01 -0.14 0.00 0.46 0.00 0.00 57.72 59.33 2kan n HIS 4 Cb 0.53 -2.75 -0.08 0.00 -0.12 0.00 0.00 29.99 27.57 2kan n HIS 4 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kan s HIS 5 N -2.52 -0.32 -1.03 1.57 4.02 -1.26 -5.02 115.29 110.74 2kan s HIS 5 Ca 0.13 0.55 -0.17 0.00 1.02 0.00 0.00 55.06 56.59 2kan s HIS 5 Cb -0.02 0.17 0.14 0.00 -1.02 0.00 0.00 32.58 31.86 2kan s HIS 5 CO 0.86 -0.42 1.25 -1.01 1.02 0.00 0.00 174.74 176.44 2kan s HIS 6 N -1.13 3.23 -0.67 1.40 0.09 -1.26 -4.92 115.29 112.03 2kan s HIS 6 Ca -0.12 -1.63 -0.14 0.00 -0.00 0.00 0.00 55.06 53.17 2kan s HIS 6 Cb -0.04 -4.31 0.17 0.00 -0.00 0.00 0.00 32.58 28.40 2kan s HIS 6 CO 0.05 -1.47 0.60 -1.58 -0.00 0.00 0.00 174.74 172.34 2kan s HIS 7 N 2.39 3.50 -0.72 1.40 5.04 -1.26 -5.01 115.29 120.63 2kan s HIS 7 Ca 0.37 -1.74 -0.26 0.00 -1.54 0.00 0.00 55.06 51.89 2kan s HIS 7 Cb -0.04 -3.75 -0.00 0.00 0.04 0.00 0.00 32.58 28.83 2kan s HIS 7 CO -0.06 -0.99 1.64 -1.58 -2.34 0.00 0.00 174.74 171.40 2kan s HIS 8 N 0.85 1.96 -1.31 3.88 5.65 -1.26 -4.90 115.29 120.17 2kan s HIS 8 Ca 0.11 0.35 -0.12 0.00 0.25 0.00 0.00 55.06 55.64 2kan s HIS 8 Cb -0.20 -4.32 0.13 0.00 -1.18 0.00 0.00 32.58 27.00 2kan s HIS 8 CO -0.03 -2.14 1.85 0.43 -0.65 0.00 0.00 174.74 174.20 2kan n SER 9 N 11.41 4.82 -4.30 9.88 7.64 -1.26 -4.85 113.62 136.96 2kan n SER 9 Ca 0.18 -3.00 -0.45 0.00 1.01 0.00 0.00 58.87 56.60 2kan n SER 9 Cb 0.50 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 2kan n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2kan s HIS 10 N 1.73 3.81 0.15 1.43 5.65 -1.26 -5.02 115.29 121.78 2kan s HIS 10 Ca 0.44 -2.22 -0.04 0.00 0.25 0.00 0.00 55.06 53.49 2kan s HIS 10 Cb 0.07 -3.73 -0.03 0.00 -1.18 0.00 0.00 32.58 27.71 2kan s HIS 10 CO -0.01 -0.96 0.15 0.00 -0.65 0.00 0.00 174.74 173.28 2kan s ALA 11 N -0.14 0.59 -0.46 1.58 0.00 -1.26 -5.03 121.76 117.05 2kan s ALA 11 Ca 0.20 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2kan s ALA 11 Cb -0.11 0.94 0.21 0.00 0.00 0.00 0.00 23.12 24.17 2kan s ALA 11 CO -0.08 -0.56 1.06 0.00 0.00 0.00 0.00 175.76 176.17 2kan n ALA 12 N -0.17 3.14 -2.13 0.00 0.00 -1.26 -4.84 120.51 115.26 2kan n ALA 12 Ca -0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 2kan n ALA 12 Cb 0.64 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.23 3.56 -0.09 0.00 1.01 -1.26 -4.95 120.40 117.44 2kan s VAL 13 Ca 0.16 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 2kan s VAL 13 Cb 0.13 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kan s VAL 13 CO 0.04 -0.72 0.02 -0.13 0.00 0.00 0.00 175.10 174.31 2kan s ARG 14 N 5.90 0.50 0.22 2.72 1.81 -1.26 -5.12 118.95 123.71 2kan s ARG 14 Ca 0.69 0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 54.45 2kan s ARG 14 Cb -0.16 -1.14 -0.08 0.00 -0.45 0.00 0.00 34.95 33.11 2kan s ARG 14 CO 0.29 -0.38 1.10 0.15 -0.68 0.00 0.00 175.30 175.78 2kan s LYS 15 N 1.99 4.61 0.21 3.54 3.01 -1.26 -4.20 119.74 127.64 2kan s LYS 15 Ca 0.04 1.76 0.02 0.00 -1.01 0.00 0.00 55.97 56.78 2kan s LYS 15 Cb -0.13 -3.24 -0.04 0.00 -1.01 0.00 0.00 37.83 33.41 2kan s LYS 15 CO -0.06 0.13 0.36 0.96 0.51 0.00 0.00 175.35 177.26 2kan s ILE 16 N -0.60 5.25 -0.71 2.17 -4.36 0.18 -4.81 121.20 118.31 2kan s ILE 16 Ca 0.48 -0.66 -0.21 0.00 -0.26 0.00 0.00 60.65 60.00 2kan s ILE 16 Cb -0.31 -3.79 0.09 0.00 1.25 0.00 0.00 42.46 39.71 2kan s ILE 16 CO 0.37 -0.23 0.96 -1.00 0.24 0.00 0.00 174.94 175.28 2kan s HIS 17 N -1.91 2.83 0.20 1.37 3.76 -1.26 -2.30 115.29 117.99 2kan s HIS 17 Ca 0.36 -0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 54.27 2kan s HIS 17 Cb -0.10 -4.25 -0.08 0.00 1.11 0.00 0.00 32.58 29.26 2kan s HIS 17 CO 0.30 -1.55 0.66 0.14 -0.85 0.00 0.00 174.74 173.43 2kan s VAL 18 N 3.50 4.69 -0.33 -0.90 -7.23 -0.58 -3.09 120.40 116.45 2kan s VAL 18 Ca 0.23 1.08 -0.10 0.00 -1.81 0.00 0.00 61.98 61.38 2kan s VAL 18 Cb -0.15 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.01 2kan s VAL 18 CO 0.05 0.18 0.17 -0.89 -0.31 0.00 0.00 175.10 174.29 2kan s THR 19 N -1.55 4.51 -0.32 5.32 2.01 0.56 -1.01 115.64 125.17 2kan s THR 19 Ca 0.42 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 2kan s THR 19 Cb -0.15 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 2kan s THR 19 CO 0.20 -0.06 0.53 -0.69 -0.69 0.00 0.00 174.62 173.91 2kan s VAL 20 N 1.57 5.02 -0.52 3.82 1.01 0.86 0.53 120.40 132.69 2kan s VAL 20 Ca 0.03 0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 2kan s VAL 20 Cb -0.18 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.35 2kan s VAL 20 CO 0.06 -0.12 0.57 -0.54 0.00 0.00 0.00 175.10 175.08 2kan s LYS 21 N 2.41 3.06 0.25 2.72 -0.14 0.13 -2.24 119.74 125.92 2kan s LYS 21 Ca 0.20 -1.16 0.02 0.00 -1.36 0.00 0.00 55.97 53.67 2kan s LYS 21 Cb -0.15 -4.16 -0.04 0.00 -1.68 0.00 0.00 37.83 31.80 2kan s LYS 21 CO 0.12 -1.25 0.41 -0.06 -0.76 0.00 0.00 175.35 173.81 2kan s PHE 22 N 2.30 3.48 0.00 3.18 0.40 -0.77 -0.39 117.98 126.17 2kan s PHE 22 Ca 0.10 0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.62 2kan s PHE 22 Cb -0.22 -1.75 -0.07 0.00 0.51 0.00 0.00 43.02 41.48 2kan s PHE 22 CO 0.09 0.35 1.64 -2.30 0.70 0.00 0.00 175.22 175.69 2kan n PRO 23 N -1.17 0.81 0.05 0.24 -0.02 -1.26 -3.63 135.00 130.01 2kan n PRO 23 Ca -0.06 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2kan n PRO 23 Cb 0.55 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2kan n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kan n SER 24 N 2.25 -0.81 -4.09 2.55 2.88 -1.26 -5.17 113.62 109.97 2kan n SER 24 Ca 0.12 0.21 -0.22 0.00 -1.33 0.00 0.00 58.87 57.65 2kan n SER 24 Cb 0.38 1.05 -0.09 0.00 -0.75 0.00 0.00 64.21 64.80 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kan s LYS 25 N -1.25 1.73 -0.08 -1.46 -2.85 -1.24 -5.16 119.74 109.43 2kan s LYS 25 Ca 0.00 -2.01 0.02 0.00 -1.00 0.00 0.00 55.97 52.98 2kan s LYS 25 Cb 0.00 -0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.38 2kan s LYS 25 CO 0.00 -0.43 -0.16 -1.14 0.10 0.00 0.00 175.35 173.73 2kan s GLN 26 N -3.78 2.13 0.05 1.78 0.74 -1.26 -1.85 119.66 117.47 2kan s GLN 26 Ca 0.31 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.17 2kan s GLN 26 Cb 0.05 -1.73 -0.03 0.00 1.10 0.00 0.00 33.01 32.39 2kan s GLN 26 CO 0.16 0.04 -0.04 -0.59 -0.55 0.00 0.00 175.29 174.31 2kan s PHE 27 N 0.68 0.57 -0.08 1.67 -0.71 -0.95 -4.98 117.98 114.18 2kan s PHE 27 Ca -0.13 -0.84 -0.02 0.00 -1.04 0.00 0.00 56.93 54.89 2kan s PHE 27 Cb -0.16 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 2kan s PHE 27 CO 0.04 -0.25 0.04 0.99 -1.34 0.00 0.00 175.22 174.70 2kan s THR 28 N -2.96 4.61 0.09 -4.49 2.01 -1.26 -0.10 115.64 113.54 2kan s THR 28 Ca 0.01 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.88 2kan s THR 28 Cb 0.01 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 2kan s THR 28 CO -0.05 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.56 2kan s VAL 29 N -0.97 1.51 -0.40 3.82 1.01 -0.18 -4.95 120.40 120.24 2kan s VAL 29 Ca 0.15 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 2kan s VAL 29 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2kan s VAL 29 CO 0.05 -0.12 0.60 -1.61 0.00 0.00 0.00 175.10 174.02 2kan s GLU 30 N -1.85 3.42 0.03 2.72 2.02 -1.26 -1.52 118.70 122.25 2kan s GLU 30 Ca 0.04 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2kan s GLU 30 Cb -0.10 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.22 2kan s GLU 30 CO 0.04 -0.86 -0.07 0.14 0.02 0.00 0.00 175.26 174.53 2kan s VAL 31 N 2.65 0.46 0.64 2.63 -7.23 -0.97 -4.92 120.40 113.66 2kan s VAL 31 Ca 0.21 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.42 2kan s VAL 31 Cb -0.15 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 2kan s VAL 31 CO 0.16 -0.28 1.04 -0.62 -0.31 0.00 0.00 175.10 175.09 2kan s ASP 32 N -1.22 5.95 0.48 4.85 -1.08 -1.26 0.51 116.67 124.90 2kan s ASP 32 Ca -0.08 1.28 0.24 0.00 -0.52 0.00 0.00 52.55 53.47 2kan s ASP 32 Cb -0.08 -2.25 1.22 0.00 -1.46 0.00 0.00 42.92 40.35 2kan s ASP 32 CO 0.00 -1.02 1.98 0.03 0.52 0.00 0.00 175.17 176.68 2kan h ARG 33 N -0.40 0.00 -0.56 4.34 3.08 -1.91 -1.93 114.38 116.99 2kan h ARG 33 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2kan h ARG 33 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2kan h ARG 33 CO 0.63 0.18 0.00 0.25 -1.07 0.00 0.00 179.97 179.96 2kan n THR 34 N -3.67 2.07 -2.26 2.04 -2.24 -1.26 -2.16 114.28 106.81 2kan n THR 34 Ca -0.01 -1.33 -0.33 0.00 -2.27 0.00 0.00 64.05 60.10 2kan n THR 34 Cb 0.30 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.15 3.52 0.43 -0.78 2.56 -0.73 -4.82 118.70 116.73 2kan s GLU 35 Ca 0.49 1.28 -0.02 0.00 0.00 0.00 0.00 54.97 56.72 2kan s GLU 35 Cb 0.34 -2.06 -0.03 0.00 2.00 0.00 0.00 34.13 34.38 2kan s GLU 35 CO 0.20 -0.66 0.68 0.95 -0.56 0.00 0.00 175.26 175.88 2kan s THR 36 N -2.24 4.80 0.26 -1.70 -4.23 -1.26 -1.36 115.64 109.91 2kan s THR 36 Ca 0.65 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 2kan s THR 36 Cb -0.16 -3.79 0.09 0.00 1.34 0.00 0.00 72.50 69.97 2kan s THR 36 CO 0.30 -0.65 1.73 0.58 -0.54 0.00 0.00 174.62 176.03 2kan h VAL 37 N 0.43 1.25 -0.99 2.29 2.07 -1.21 -0.45 116.25 119.64 2kan h VAL 37 Ca -0.48 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 65.95 2kan h VAL 37 Cb 1.22 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 2kan h VAL 37 CO 0.61 0.38 0.65 -1.28 0.02 0.00 0.00 177.57 177.95 2kan h SER 38 N 0.63 1.08 1.27 0.57 0.87 -1.47 -1.16 113.55 115.34 2kan h SER 38 Ca 0.11 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 2kan h SER 38 Cb 0.57 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2kan h SER 38 CO 0.04 0.73 -0.71 0.28 -0.53 0.00 0.00 176.83 176.63 2kan h SER 39 N 1.25 0.00 -0.06 6.23 0.02 -1.72 -2.59 113.55 116.67 2kan h SER 39 Ca 0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2kan h SER 39 Cb 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2kan h SER 39 CO -0.13 0.71 0.03 0.25 -1.14 0.00 0.00 176.83 176.56 2kan h LEU 40 N 0.00 0.08 -1.05 5.07 5.85 -0.32 -1.39 115.31 123.55 2kan h LEU 40 Ca -0.01 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2kan h LEU 40 Cb 1.54 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 2kan h LEU 40 CO 0.09 0.18 0.64 0.11 -0.34 0.00 0.00 178.44 179.12 2kan h LYS 41 N -0.02 1.24 -0.24 1.25 1.57 -1.21 -2.38 116.57 116.79 2kan h LYS 41 Ca 0.02 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kan h LYS 41 Cb 0.12 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2kan h LYS 41 CO -0.00 0.82 0.07 0.22 -0.57 0.00 0.00 179.45 179.98 2kan h ASP 42 N 1.28 0.06 -0.28 0.86 3.58 -1.15 -0.53 116.42 120.25 2kan h ASP 42 Ca 0.37 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.89 2kan h ASP 42 Cb -0.08 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2kan h ASP 42 CO -0.10 0.07 0.02 0.11 -2.88 0.00 0.00 179.24 176.46 2kan h LYS 43 N 0.17 0.11 -0.62 0.28 1.79 -0.78 -2.05 116.57 115.47 2kan h LYS 43 Ca 0.10 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 2kan h LYS 43 Cb 0.08 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2kan h LYS 43 CO -0.12 0.07 0.13 0.82 -1.08 0.00 0.00 179.45 179.27 2kan h ILE 44 N 0.11 1.25 -0.01 1.86 2.04 -1.21 -2.43 117.51 119.12 2kan h ILE 44 Ca 0.13 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 2kan h ILE 44 Cb 0.16 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2kan h ILE 44 CO -0.20 0.35 -0.23 -0.74 0.00 0.00 0.00 178.15 177.33 2kan h HIS 45 N 0.93 0.01 -0.03 1.37 2.76 -0.57 0.32 115.15 119.94 2kan h HIS 45 Ca 0.19 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 2kan h HIS 45 Cb 0.37 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2kan h HIS 45 CO 0.02 0.25 -0.54 0.82 -1.30 0.00 0.00 177.93 177.18 2kan h ILE 46 N 0.01 1.38 0.07 6.26 2.04 -0.89 -3.25 117.51 123.13 2kan h ILE 46 Ca -0.00 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 2kan h ILE 46 Cb 0.42 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2kan h ILE 46 CO 0.03 0.53 -0.03 0.58 0.00 0.00 0.00 178.15 179.26 2kan h VAL 47 N 0.07 0.61 -3.58 1.67 2.07 -1.18 -3.47 116.25 112.45 2kan h VAL 47 Ca -0.00 -1.33 -0.67 0.00 0.82 0.00 0.00 66.70 65.52 2kan h VAL 47 Cb 0.97 1.12 -0.26 0.00 -1.52 0.00 0.00 31.29 31.60 2kan h VAL 47 CO 0.07 0.19 -0.77 -0.70 0.02 0.00 0.00 177.57 176.39 2kan s GLU 48 N -2.21 3.06 0.00 1.57 2.56 0.10 -4.99 118.70 118.79 2kan s GLU 48 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 54.97 54.21 2kan s GLU 48 Cb -0.01 -2.52 0.12 0.00 2.00 0.00 0.00 34.13 33.71 2kan s GLU 48 CO 0.28 0.35 0.85 0.09 -0.56 0.00 0.00 175.26 176.28 2kan n ASN 49 N 3.11 0.00 -4.68 -1.70 5.03 -1.26 -4.10 115.26 111.66 2kan n ASN 49 Ca -0.18 -1.48 -0.42 0.00 0.87 0.00 0.00 54.58 53.37 2kan n ASN 49 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.26 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2kan s THR 50 N -2.00 3.21 0.26 3.41 2.01 -1.26 -4.95 115.64 116.32 2kan s THR 50 Ca 0.03 0.55 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 2kan s THR 50 Cb 0.01 -3.36 -0.14 0.00 0.01 0.00 0.00 72.50 69.03 2kan s THR 50 CO 0.02 -0.02 1.29 -2.65 -0.69 0.00 0.00 174.62 172.58 2kan n PRO 51 N 6.03 1.83 -0.09 4.92 -0.02 -1.26 -4.74 135.00 141.67 2kan n PRO 51 Ca 0.16 0.65 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 2kan n PRO 51 Cb 0.41 -2.22 0.34 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.73 1.15 0.00 4.25 2.04 -1.92 -0.65 117.51 125.11 2kan h ILE 52 Ca -0.44 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 2kan h ILE 52 Cb 1.30 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2kan h ILE 52 CO 0.70 0.14 -0.38 0.11 0.00 0.00 0.00 178.15 178.72 2kan h LYS 53 N 0.75 0.00 0.24 2.37 1.57 -2.00 -3.18 116.57 116.32 2kan h LYS 53 Ca 0.20 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 2kan h LYS 53 Cb -0.07 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.27 2kan h LYS 53 CO -0.04 0.38 -1.49 0.00 -0.57 0.00 0.00 179.45 177.73 2kan h ARG 54 N 0.00 0.50 -5.46 3.15 3.08 -1.45 -3.44 114.38 110.77 2kan h ARG 54 Ca -0.00 -0.86 -0.62 0.00 0.07 0.00 0.00 59.98 58.56 2kan h ARG 54 Cb 0.69 0.32 -0.13 0.00 0.08 0.00 0.00 29.97 30.93 2kan h ARG 54 CO 0.05 1.41 0.11 0.00 -1.07 0.00 0.00 179.97 180.47 2kan s MET 55 N -2.58 3.89 -0.17 0.04 0.23 -0.54 0.31 119.30 120.48 2kan s MET 55 Ca -0.11 0.25 -0.08 0.00 -1.03 0.00 0.00 55.69 54.73 2kan s MET 55 Cb 0.04 -3.73 -0.04 0.00 -1.53 0.00 0.00 34.83 29.57 2kan s MET 55 CO 0.92 -0.55 0.11 -1.14 -2.03 0.00 0.00 175.02 172.33 2kan s GLN 56 N 2.55 3.88 -0.14 3.16 0.74 0.12 -4.83 119.66 125.15 2kan s GLN 56 Ca 0.24 -0.24 -0.19 0.00 0.05 0.00 0.00 55.36 55.22 2kan s GLN 56 Cb -0.15 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 2kan s GLN 56 CO 0.12 0.43 0.51 -0.51 -0.55 0.00 0.00 175.29 175.28 2kan s LEU 57 N -0.04 4.24 -0.11 3.68 1.43 -1.26 -1.16 118.68 125.46 2kan s LEU 57 Ca 0.09 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 2kan s LEU 57 Cb -0.12 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.38 2kan s LEU 57 CO 0.00 -0.06 -0.22 -0.31 0.23 0.00 0.00 176.35 175.99 2kan s TYR 58 N 0.95 2.49 -0.26 0.29 1.51 0.40 -0.64 117.35 122.09 2kan s TYR 58 Ca 0.26 -1.12 -0.00 0.00 -1.01 0.00 0.00 57.07 55.20 2kan s TYR 58 Cb -0.15 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2kan s TYR 58 CO 0.11 -0.49 -0.07 -0.47 -1.11 0.00 0.00 175.55 173.51 2kan s TYR 59 N 0.59 3.15 -2.14 2.71 5.04 0.15 -0.07 117.35 126.78 2kan s TYR 59 Ca -0.13 -1.87 0.00 0.00 -2.44 0.00 0.00 57.07 52.63 2kan s TYR 59 Cb -0.17 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.12 2kan s TYR 59 CO 0.04 -0.80 0.00 0.43 -1.34 0.00 0.00 175.55 173.88 2kan n SER 60 N 4.58 -5.59 0.00 4.32 7.64 -1.26 -0.52 113.62 122.79 2kan n SER 60 Ca -0.15 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2kan n SER 60 Cb 0.45 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 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 -0.52 1.14 3.68 0.23 0.00 -1.26 -5.06 105.19 103.40 2kan n GLY 61 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.25 5.12 0.08 -0.61 1.01 0.33 -5.05 121.20 119.83 2kan s ILE 62 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.35 2kan s ILE 62 Cb 0.00 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 2kan s ILE 62 CO 0.00 0.21 0.90 -1.83 0.00 0.00 0.00 174.94 174.22 2kan s GLU 63 N 1.38 4.63 -1.40 2.79 -1.05 -1.26 0.31 118.70 124.09 2kan s GLU 63 Ca 0.25 1.33 -0.13 0.00 -0.15 0.00 0.00 54.97 56.27 2kan s GLU 63 Cb -0.15 -3.38 0.08 0.00 -0.44 0.00 0.00 34.13 30.24 2kan s GLU 63 CO 0.10 0.22 2.11 1.28 0.95 0.00 0.00 175.26 179.92 2kan n LEU 64 N 2.84 6.76 0.03 1.83 4.77 0.18 -4.66 117.00 128.76 2kan n LEU 64 Ca 0.01 -4.29 -0.10 0.00 -0.03 0.00 0.00 56.01 51.60 2kan n LEU 64 Cb 0.50 -1.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.02 2kan n LEU 64 CO 0.50 1.17 0.40 0.00 -1.33 0.00 0.00 177.39 178.14 2kan h ALA 65 N 5.96 0.64 -1.40 -1.18 0.00 -1.92 -3.40 119.26 117.95 2kan h ALA 65 Ca 0.51 -0.57 -0.55 0.00 0.00 0.00 0.00 54.91 54.31 2kan h ALA 65 Cb 0.64 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2kan h ALA 65 CO 1.80 0.73 1.00 -0.51 0.00 0.00 0.00 179.25 182.26 2kan s ASP 66 N -6.96 6.17 0.30 0.00 1.01 -1.26 -4.84 116.67 111.10 2kan s ASP 66 Ca -0.06 -0.49 0.09 0.00 0.71 0.00 0.00 52.55 52.80 2kan s ASP 66 Cb 0.11 -2.54 0.47 0.00 1.01 0.00 0.00 42.92 41.96 2kan s ASP 66 CO 0.84 -1.78 1.69 -0.78 0.21 0.00 0.00 175.17 175.35 2kan h ASP 67 N 9.96 0.10 0.84 0.27 3.58 -1.95 -2.84 116.42 126.38 2kan h ASP 67 Ca -0.28 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kan h ASP 67 Cb 1.05 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2kan h ASP 67 CO 1.27 0.58 -0.08 0.00 -2.88 0.00 0.00 179.24 178.12 2kan n TYR 68 N -3.95 0.00 -1.95 0.28 0.18 -1.26 -1.30 117.16 109.15 2kan n TYR 68 Ca -0.02 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.48 2kan n TYR 68 Cb 0.52 -0.42 0.08 0.00 -0.38 0.00 0.00 39.34 39.14 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 -2.92 2.18 0.32 -3.48 0.52 -1.07 -4.81 118.95 109.69 2kan s ARG 69 Ca 0.16 0.12 -0.01 0.00 -0.52 0.00 0.00 55.73 55.48 2kan s ARG 69 Cb 0.19 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2kan s ARG 69 CO 0.55 -1.42 0.53 1.21 0.02 0.00 0.00 175.30 176.19 2kan s ASN 70 N -4.52 6.33 0.04 0.23 3.84 -1.26 -1.48 114.94 118.12 2kan s ASN 70 Ca 0.61 0.49 -0.19 0.00 0.21 0.00 0.00 52.86 53.98 2kan s ASN 70 Cb -0.11 -2.05 -0.16 0.00 -0.55 0.00 0.00 41.25 38.38 2kan s ASN 70 CO 0.49 -0.25 1.27 -0.07 -2.79 0.00 0.00 177.10 175.75 2kan h LEU 71 N 1.06 0.51 -2.18 3.21 3.38 -1.37 -3.14 115.31 116.78 2kan h LEU 71 Ca -0.49 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 56.89 2kan h LEU 71 Cb 1.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2kan h LEU 71 CO 0.63 1.00 -0.01 -0.55 0.09 0.00 0.00 178.44 179.60 2kan h ASN 72 N 0.05 0.00 -0.41 -0.43 7.08 -1.51 -0.87 115.58 119.49 2kan h ASN 72 Ca -0.00 0.00 0.05 0.00 -3.08 0.00 0.00 56.30 53.26 2kan h ASN 72 Cb 0.94 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.16 2kan h ASN 72 CO 0.07 0.01 0.28 -0.33 -2.08 0.00 0.00 177.43 175.38 2kan h GLU 73 N 0.00 0.35 -0.00 4.14 4.39 -1.83 -0.46 114.58 121.17 2kan h GLU 73 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kan h GLU 73 Cb 0.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2kan h GLU 73 CO 0.00 0.23 -0.23 0.66 -1.16 0.00 0.00 179.01 178.51 2kan n TYR 74 N -4.48 0.00 0.00 4.33 4.01 -0.35 -4.89 117.16 115.78 2kan n TYR 74 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2kan n TYR 74 Cb 0.21 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 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 1.47 0.74 3.72 2.72 0.00 -0.18 -5.07 105.19 108.58 2kan n GLY 75 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 3.04 0.00 -0.61 1.01 -1.08 -4.82 121.20 116.75 2kan s ILE 76 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.42 2kan s ILE 76 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2kan s ILE 76 CO 0.00 0.07 0.00 1.07 0.00 0.00 0.00 174.94 176.08 2kan n THR 77 N 3.71 0.00 -3.65 2.92 5.66 -1.26 -3.67 114.28 117.98 2kan n THR 77 Ca 0.11 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.10 2kan n THR 77 Cb 0.41 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.00 0.07 -2.05 1.09 2.12 -1.26 -4.91 118.70 112.77 2kan s GLU 78 Ca 0.00 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2kan s GLU 78 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2kan s GLU 78 CO 0.00 -0.01 0.00 1.19 -0.54 0.00 0.00 175.26 175.90 2kan n PHE 79 N 2.23 -0.10 -1.98 5.30 3.72 -1.18 -4.90 117.46 120.55 2kan n PHE 79 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2kan n PHE 79 Cb 0.57 -3.31 -0.03 0.00 -0.94 0.00 0.00 39.48 35.76 2kan n PHE 79 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2kan s SER 80 N -2.63 6.63 -0.21 4.37 0.01 -1.26 -4.65 113.70 115.96 2kan s SER 80 Ca 0.00 2.59 -0.15 0.00 1.31 0.00 0.00 55.95 59.70 2kan s SER 80 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2kan s SER 80 CO 0.00 -0.78 0.36 -1.61 0.41 0.00 0.00 173.24 171.62 2kan s GLU 81 N 0.81 4.16 -0.31 12.44 2.02 -1.26 -0.32 118.70 136.24 2kan s GLU 81 Ca 0.67 0.13 -0.08 0.00 0.02 0.00 0.00 54.97 55.71 2kan s GLU 81 Cb -0.42 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.28 2kan s GLU 81 CO 0.34 -0.02 0.11 0.42 0.02 0.00 0.00 175.26 176.13 2kan s ILE 82 N 1.25 4.17 -0.31 -1.63 -1.09 0.19 -4.34 121.20 119.44 2kan s ILE 82 Ca 0.17 -0.65 -0.21 0.00 -2.23 0.00 0.00 60.65 57.73 2kan s ILE 82 Cb -0.14 -3.16 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2kan s ILE 82 CO 0.07 0.05 0.69 -0.69 -1.23 0.00 0.00 174.94 173.83 2kan s VAL 83 N 1.53 4.87 -0.49 2.92 1.01 0.90 0.17 120.40 131.32 2kan s VAL 83 Ca 0.03 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 62.77 2kan s VAL 83 Cb -0.17 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.20 2kan s VAL 83 CO 0.04 -0.21 0.54 -0.69 0.00 0.00 0.00 175.10 174.77 2kan s VAL 84 N 2.76 5.01 -0.25 2.92 1.01 0.47 -0.45 120.40 131.87 2kan s VAL 84 Ca 0.28 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2kan s VAL 84 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2kan s VAL 84 CO 0.13 -0.70 0.40 -0.36 0.00 0.00 0.00 175.10 174.57 2kan s PHE 85 N 2.28 3.29 -0.26 5.22 0.08 -0.30 -4.33 117.98 123.95 2kan s PHE 85 Ca 0.11 0.51 -0.26 0.00 0.12 0.00 0.00 56.93 57.42 2kan s PHE 85 Cb -0.21 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 2kan s PHE 85 CO 0.10 -0.17 0.89 -0.51 -0.10 0.00 0.00 175.22 175.44 2kan s LEU 86 N 1.87 4.07 -0.31 -0.37 1.43 -1.26 -0.70 118.68 123.40 2kan s LEU 86 Ca 0.17 1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 2kan s LEU 86 Cb -0.15 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2kan s LEU 86 CO 0.09 -0.61 0.31 -0.54 0.23 0.00 0.00 176.35 175.83 2kan s LYS 87 N 3.03 3.72 -1.49 1.70 -0.14 0.15 -4.97 119.74 121.73 2kan s LYS 87 Ca 0.38 -0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 54.54 2kan s LYS 87 Cb -0.15 -3.75 -0.07 0.00 -1.68 0.00 0.00 37.83 32.19 2kan s LYS 87 CO 0.09 -0.39 2.75 0.43 -0.76 0.00 0.00 175.35 177.47 2kan n SER 88 N 5.26 7.61 -0.07 2.83 7.64 -1.26 -4.51 113.62 131.12 2kan n SER 88 Ca -0.11 -2.56 -0.04 0.00 1.01 0.00 0.00 58.87 57.17 2kan n SER 88 Cb 0.50 -1.50 0.17 0.00 -1.01 0.00 0.00 64.21 62.38 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 3.19 1.25 -2.39 0.44 3.07 -1.93 -3.39 117.51 117.75 2kan h ILE 89 Ca 0.78 -1.08 -0.35 0.00 1.55 0.00 0.00 64.86 65.77 2kan h ILE 89 Cb 0.31 1.03 -0.35 0.00 -0.27 0.00 0.00 36.82 37.53 2kan h ILE 89 CO 1.75 0.37 -0.65 0.20 -1.05 0.00 0.00 178.15 178.77 2kan s ASN 90 N -6.70 1.80 0.46 2.16 0.01 -1.26 -4.99 114.94 106.41 2kan s ASN 90 Ca -0.09 -0.60 0.16 0.00 -0.71 0.00 0.00 52.86 51.62 2kan s ASN 90 Cb 0.14 0.34 1.06 0.00 0.41 0.00 0.00 41.25 43.21 2kan s ASN 90 CO 0.81 -0.37 2.00 -0.09 -1.51 0.00 0.00 177.10 177.94 2kan h ARG 91 N 8.30 0.00 -7.23 -0.60 1.12 -1.94 -3.42 114.38 110.61 2kan h ARG 91 Ca -0.16 0.00 -0.45 0.00 -1.11 0.00 0.00 59.98 58.26 2kan h ARG 91 Cb 1.10 0.00 0.19 0.00 -0.01 0.00 0.00 29.97 31.25 2kan h ARG 91 CO 0.33 0.18 0.09 0.00 -3.11 0.00 0.00 179.97 177.46 2kan s ALA 92 N -4.57 0.15 0.00 2.80 0.00 -1.26 -5.03 121.76 113.85 2kan s ALA 92 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2kan s ALA 92 Cb 0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2kan s ALA 92 CO 0.68 -3.42 0.00 1.17 0.00 0.00 0.00 175.76 174.19 2kan n LYS 93 N -4.61 0.00 0.00 0.00 4.81 -1.26 -5.11 118.16 111.99 2kan n LYS 93 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2kan n LYS 93 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2kan n LYS 93 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17