#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kan s GLY 2 N 0.00 1.66 0.02 3.03 0.00 -1.26 -5.08 107.32 105.69 2kan s GLY 2 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.76 2kan s GLY 2 CO 0.00 0.24 -0.26 0.30 0.00 0.00 0.00 173.10 173.38 2kan s HIS 3 N -3.14 2.34 -0.56 1.90 0.09 -1.26 -5.04 115.29 109.62 2kan s HIS 3 Ca 0.56 -0.41 0.24 0.00 -0.00 0.00 0.00 55.06 55.45 2kan s HIS 3 Cb -0.12 -1.44 0.25 0.00 -0.00 0.00 0.00 32.58 31.27 2kan s HIS 3 CO 0.54 0.07 1.24 1.25 -0.00 0.00 0.00 174.74 177.84 2kan h HIS 4 N 5.04 0.00 0.00 1.40 6.17 -1.99 -2.97 115.15 122.80 2kan h HIS 4 Ca -0.45 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 60.58 2kan h HIS 4 Cb 1.13 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.06 2kan h HIS 4 CO 0.45 0.00 -0.76 0.72 0.71 0.00 0.00 177.93 179.05 2kan n HIS 5 N -2.22 0.77 0.10 5.26 8.25 -1.26 -4.05 115.22 122.07 2kan n HIS 5 Ca 0.02 0.33 0.03 0.00 -0.26 0.00 0.00 57.72 57.85 2kan n HIS 5 Cb 0.46 -0.78 0.43 0.00 1.12 0.00 0.00 29.99 31.22 2kan n HIS 5 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kan h HIS 6 N -1.00 0.30 -3.51 4.41 -0.00 -2.02 -3.09 115.15 110.24 2kan h HIS 6 Ca -0.07 -0.02 -0.74 0.00 -0.00 0.00 0.00 60.37 59.54 2kan h HIS 6 Cb 0.73 -0.09 -0.32 0.00 -0.00 0.00 0.00 27.41 27.73 2kan h HIS 6 CO -0.21 0.31 0.00 -1.58 -0.00 0.00 0.00 177.93 176.46 2kan s HIS 7 N -5.00 3.85 -0.25 5.26 5.04 -1.12 -5.05 115.29 118.02 2kan s HIS 7 Ca -0.06 -2.71 -0.16 0.00 -1.54 0.00 0.00 55.06 50.58 2kan s HIS 7 Cb 0.16 -3.46 -0.03 0.00 0.04 0.00 0.00 32.58 29.28 2kan s HIS 7 CO 0.73 -0.85 0.43 -1.58 -2.34 0.00 0.00 174.74 171.12 2kan s HIS 8 N -0.81 3.28 0.20 3.88 2.46 -1.17 -4.49 115.29 118.64 2kan s HIS 8 Ca 0.24 0.53 -0.00 0.00 0.47 0.00 0.00 55.06 56.30 2kan s HIS 8 Cb -0.11 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.69 2kan s HIS 8 CO -0.09 -0.20 0.10 -1.12 -2.47 0.00 0.00 174.74 170.96 2kan s SER 9 N 1.48 0.50 -0.15 9.88 0.01 -1.26 -5.11 113.70 119.06 2kan s SER 9 Ca 0.18 -1.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.09 2kan s SER 9 Cb -0.16 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.41 2kan s SER 9 CO 0.09 -0.77 0.01 -2.28 0.41 0.00 0.00 173.24 170.70 2kan s HIS 10 N -4.00 1.01 -0.42 2.43 2.46 -1.26 -4.80 115.29 110.71 2kan s HIS 10 Ca 0.34 -0.65 0.00 0.00 0.47 0.00 0.00 55.06 55.22 2kan s HIS 10 Cb 0.07 -1.00 0.00 0.00 -0.13 0.00 0.00 32.58 31.52 2kan s HIS 10 CO 0.09 -0.51 0.00 0.00 -2.47 0.00 0.00 174.74 171.85 2kan n ALA 11 N 5.06 -0.06 -0.64 1.58 0.00 -1.26 -4.79 120.51 120.40 2kan n ALA 11 Ca -0.09 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2kan n ALA 11 Cb 0.48 -1.45 0.30 0.00 0.00 0.00 0.00 19.45 18.78 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 1.07 2.93 -2.10 0.00 0.00 -1.26 -4.97 120.51 116.17 2kan n ALA 12 Ca -0.04 -1.70 -0.25 0.00 0.00 0.00 0.00 53.44 51.45 2kan n ALA 12 Cb 0.48 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.13 2kan n ALA 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kan s VAL 13 N -1.96 3.48 -0.27 0.00 -7.23 -1.26 -5.06 120.40 108.10 2kan s VAL 13 Ca 0.44 -0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.31 2kan s VAL 13 Cb 0.30 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 2kan s VAL 13 CO 0.19 -0.35 0.22 -0.13 -0.31 0.00 0.00 175.10 174.72 2kan s ARG 14 N -4.91 3.97 -0.02 4.82 0.52 -1.26 -5.06 118.95 117.01 2kan s ARG 14 Ca 0.54 -0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 55.31 2kan s ARG 14 Cb -0.10 -3.65 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 2kan s ARG 14 CO 0.43 -0.18 0.50 0.15 0.02 0.00 0.00 175.30 176.23 2kan s LYS 15 N 1.76 4.18 0.02 3.54 3.01 -1.26 -4.09 119.74 126.90 2kan s LYS 15 Ca 0.08 0.57 -0.08 0.00 -1.01 0.00 0.00 55.97 55.54 2kan s LYS 15 Cb -0.16 -3.31 -0.05 0.00 -1.01 0.00 0.00 37.83 33.30 2kan s LYS 15 CO 0.10 0.47 0.30 0.96 0.51 0.00 0.00 175.35 177.69 2kan s ILE 16 N -0.44 5.24 -0.71 2.17 -4.36 0.64 -4.82 121.20 118.93 2kan s ILE 16 Ca 0.27 0.27 -0.26 0.00 -0.26 0.00 0.00 60.65 60.67 2kan s ILE 16 Cb -0.17 -3.59 0.04 0.00 1.25 0.00 0.00 42.46 39.99 2kan s ILE 16 CO 0.15 0.36 1.18 -1.00 0.24 0.00 0.00 174.94 175.87 2kan s HIS 17 N -1.31 2.41 0.04 1.37 3.76 -1.26 -2.25 115.29 118.04 2kan s HIS 17 Ca 0.28 -0.19 -0.14 0.00 -0.15 0.00 0.00 55.06 54.87 2kan s HIS 17 Cb -0.13 -4.52 -0.06 0.00 1.11 0.00 0.00 32.58 28.98 2kan s HIS 17 CO 0.16 -1.93 0.43 0.14 -0.85 0.00 0.00 174.74 172.68 2kan s VAL 18 N 5.21 5.02 -0.46 -0.90 -7.23 -0.68 -0.15 120.40 121.22 2kan s VAL 18 Ca 0.31 0.76 -0.22 0.00 -1.81 0.00 0.00 61.98 61.02 2kan s VAL 18 Cb -0.11 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.16 2kan s VAL 18 CO 0.14 0.47 0.71 -0.89 -0.31 0.00 0.00 175.10 175.22 2kan s THR 19 N -1.20 4.75 -0.43 5.32 2.01 0.28 -1.42 115.64 124.95 2kan s THR 19 Ca 0.28 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.25 2kan s THR 19 Cb -0.16 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.10 2kan s THR 19 CO 0.15 -0.69 0.50 -0.69 -0.69 0.00 0.00 174.62 173.20 2kan s VAL 20 N 3.03 5.02 -0.56 3.82 1.01 0.48 0.53 120.40 133.73 2kan s VAL 20 Ca 0.25 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 2kan s VAL 20 Cb -0.14 -4.10 0.10 0.00 0.00 0.00 0.00 36.38 32.25 2kan s VAL 20 CO 0.19 -0.50 0.61 -0.54 0.00 0.00 0.00 175.10 174.87 2kan s LYS 21 N 2.32 3.03 0.23 2.72 1.02 0.79 -2.19 119.74 127.66 2kan s LYS 21 Ca 0.14 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.68 2kan s LYS 21 Cb -0.17 -4.25 -0.06 0.00 -0.52 0.00 0.00 37.83 32.84 2kan s LYS 21 CO 0.15 -1.40 0.51 -0.06 -0.92 0.00 0.00 175.35 173.62 2kan s PHE 22 N 2.27 3.46 0.60 3.18 0.40 -0.01 -0.88 117.98 127.00 2kan s PHE 22 Ca 0.09 0.69 0.35 0.00 -0.60 0.00 0.00 56.93 57.46 2kan s PHE 22 Cb -0.25 -2.13 2.03 0.00 0.51 0.00 0.00 43.02 43.18 2kan s PHE 22 CO 0.06 0.27 2.29 -1.00 0.70 0.00 0.00 175.22 177.54 2kan h PRO 23 N 2.23 0.00 0.11 0.24 0.13 -1.97 -2.71 132.00 130.03 2kan h PRO 23 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 2kan h PRO 23 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kan h PRO 23 CO 0.69 0.01 -1.75 0.77 -0.23 0.00 0.00 178.00 177.48 2kan h SER 24 N 0.00 0.36 -5.02 1.44 0.02 -1.96 -3.49 113.55 104.90 2kan h SER 24 Ca -0.00 -0.64 0.06 0.00 -0.84 0.00 0.00 61.79 60.37 2kan h SER 24 Cb 0.02 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.37 2kan h SER 24 CO 0.00 1.56 0.26 -1.59 -1.14 0.00 0.00 176.83 175.92 2kan s LYS 25 N -2.59 1.53 -0.11 3.45 -2.85 -1.02 -5.15 119.74 112.99 2kan s LYS 25 Ca -0.14 -0.77 0.02 0.00 -1.00 0.00 0.00 55.97 54.09 2kan s LYS 25 Cb 0.07 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.42 2kan s LYS 25 CO 0.82 -0.69 -0.19 -1.14 0.10 0.00 0.00 175.35 174.25 2kan s GLN 26 N -3.76 2.60 0.09 1.78 0.74 -1.26 -0.83 119.66 119.01 2kan s GLN 26 Ca 0.08 -0.71 -0.08 0.00 0.05 0.00 0.00 55.36 54.70 2kan s GLN 26 Cb -0.04 -2.11 -0.00 0.00 1.10 0.00 0.00 33.01 31.96 2kan s GLN 26 CO -0.00 0.00 0.18 -0.59 -0.55 0.00 0.00 175.29 174.34 2kan s PHE 27 N 0.79 0.17 -0.11 1.67 -0.71 -0.93 -5.02 117.98 113.84 2kan s PHE 27 Ca -0.10 -0.60 -0.05 0.00 -1.04 0.00 0.00 56.93 55.15 2kan s PHE 27 Cb -0.16 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2kan s PHE 27 CO 0.01 -0.54 0.07 0.99 -1.34 0.00 0.00 175.22 174.40 2kan s THR 28 N -3.86 4.91 -0.02 -4.49 2.01 -1.26 -0.39 115.64 112.53 2kan s THR 28 Ca 0.05 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.10 2kan s THR 28 Cb 0.05 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2kan s THR 28 CO -0.11 0.60 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.50 2kan s VAL 29 N -0.86 1.86 -0.59 3.82 1.01 -0.51 -4.95 120.40 120.19 2kan s VAL 29 Ca 0.13 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2kan s VAL 29 Cb -0.12 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.77 2kan s VAL 29 CO 0.03 0.53 0.86 -1.61 0.00 0.00 0.00 175.10 174.90 2kan s GLU 30 N -0.47 3.16 0.06 2.72 2.02 -1.26 -1.68 118.70 123.25 2kan s GLU 30 Ca 0.07 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.38 2kan s GLU 30 Cb -0.10 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 2kan s GLU 30 CO -0.00 -1.58 -0.23 0.14 0.02 0.00 0.00 175.26 173.61 2kan s VAL 31 N 3.57 1.90 0.30 2.63 -7.23 -0.96 -4.91 120.40 115.71 2kan s VAL 31 Ca 0.21 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 2kan s VAL 31 Cb -0.17 -1.65 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 2kan s VAL 31 CO 0.12 0.22 1.19 -0.62 -0.31 0.00 0.00 175.10 175.71 2kan s ASP 32 N -1.38 7.04 0.11 4.85 -1.08 -1.26 -0.26 116.67 124.70 2kan s ASP 32 Ca 0.10 2.46 0.24 0.00 -0.52 0.00 0.00 52.55 54.82 2kan s ASP 32 Cb -0.09 -2.64 0.94 0.00 -1.46 0.00 0.00 42.92 39.67 2kan s ASP 32 CO 0.03 -0.32 1.74 -2.11 0.52 0.00 0.00 175.17 175.03 2kan n ARG 33 N 1.03 0.11 -0.47 4.34 1.85 -1.26 -1.45 116.66 120.80 2kan n ARG 33 Ca -0.01 0.20 0.10 0.00 -1.00 0.00 0.00 57.85 57.14 2kan n ARG 33 Cb 0.43 -1.66 0.33 0.00 -1.05 0.00 0.00 32.46 30.51 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 -1.86 1.33 -2.35 8.89 -2.24 -1.26 -0.65 114.28 116.14 2kan n THR 34 Ca 0.05 -1.03 -0.30 0.00 -2.27 0.00 0.00 64.05 60.50 2kan n THR 34 Cb 0.31 0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.44 3.64 0.33 -0.78 2.56 -0.53 -4.81 118.70 117.67 2kan s GLU 35 Ca 0.48 0.52 -0.02 0.00 0.00 0.00 0.00 54.97 55.95 2kan s GLU 35 Cb 0.28 -2.24 -0.04 0.00 2.00 0.00 0.00 34.13 34.13 2kan s GLU 35 CO 0.28 -0.33 0.57 0.95 -0.56 0.00 0.00 175.26 176.17 2kan s THR 36 N -2.84 5.05 0.42 -1.70 -4.23 -1.26 -0.64 115.64 110.44 2kan s THR 36 Ca 0.52 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 2kan s THR 36 Cb -0.11 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.20 2kan s THR 36 CO 0.45 -0.47 2.06 0.58 -0.54 0.00 0.00 174.62 176.70 2kan h VAL 37 N 0.99 1.09 -0.63 2.29 2.07 -0.14 -1.81 116.25 120.11 2kan h VAL 37 Ca -0.48 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2kan h VAL 37 Cb 1.20 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2kan h VAL 37 CO 0.64 0.09 0.26 0.77 0.02 0.00 0.00 177.57 179.35 2kan h SER 38 N 0.52 0.83 1.34 0.57 4.64 -1.64 -1.76 113.55 118.04 2kan h SER 38 Ca 0.15 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 2kan h SER 38 Cb -0.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2kan h SER 38 CO -0.03 0.74 -0.59 0.28 -0.87 0.00 0.00 176.83 176.36 2kan h SER 39 N 0.90 0.00 -0.10 4.97 0.02 -1.65 -1.72 113.55 115.97 2kan h SER 39 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2kan h SER 39 Cb 0.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2kan h SER 39 CO -0.02 0.59 0.06 0.25 -1.14 0.00 0.00 176.83 176.57 2kan h LEU 40 N 0.00 0.11 -0.79 5.07 5.85 -0.76 -0.64 115.31 124.16 2kan h LEU 40 Ca -0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2kan h LEU 40 Cb 1.42 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 2kan h LEU 40 CO 0.08 0.10 0.41 0.11 -0.34 0.00 0.00 178.44 178.79 2kan h LYS 41 N 0.12 1.12 -0.30 1.25 1.57 -1.26 -2.52 116.57 116.55 2kan h LYS 41 Ca 0.04 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2kan h LYS 41 Cb -0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 2kan h LYS 41 CO -0.01 0.85 0.10 0.22 -0.57 0.00 0.00 179.45 180.04 2kan h ASP 42 N 1.10 0.10 -0.39 0.86 3.58 -0.86 0.73 116.42 121.55 2kan h ASP 42 Ca 0.27 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 2kan h ASP 42 Cb 0.07 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2kan h ASP 42 CO -0.04 0.09 -0.03 0.11 -2.88 0.00 0.00 179.24 176.50 2kan h LYS 43 N 0.23 0.70 -0.97 0.28 1.57 -1.01 -2.00 116.57 115.37 2kan h LYS 43 Ca 0.13 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2kan h LYS 43 Cb 0.11 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 2kan h LYS 43 CO -0.14 0.81 0.65 0.82 -0.57 0.00 0.00 179.45 181.02 2kan h ILE 44 N 0.52 1.25 -0.03 1.86 2.04 -1.23 -0.58 117.51 121.34 2kan h ILE 44 Ca 0.11 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2kan h ILE 44 Cb 0.51 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2kan h ILE 44 CO 0.03 0.24 -0.12 -0.74 0.00 0.00 0.00 178.15 177.56 2kan h HIS 45 N 1.32 0.04 -0.01 1.37 2.76 -0.49 0.31 115.15 120.45 2kan h HIS 45 Ca 0.36 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.47 2kan h HIS 45 Cb -0.15 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.80 2kan h HIS 45 CO -0.00 0.16 -0.21 0.82 -1.30 0.00 0.00 177.93 177.40 2kan h ILE 46 N 0.04 1.54 0.21 6.26 2.04 -0.50 -3.38 117.51 123.72 2kan h ILE 46 Ca 0.01 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2kan h ILE 46 Cb 0.23 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2kan h ILE 46 CO 0.02 0.51 -0.10 0.58 0.00 0.00 0.00 178.15 179.15 2kan h VAL 47 N -0.50 0.79 -2.75 1.67 2.07 -0.88 -3.45 116.25 113.19 2kan h VAL 47 Ca -0.02 -0.94 -0.58 0.00 0.82 0.00 0.00 66.70 65.98 2kan h VAL 47 Cb 0.94 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2kan h VAL 47 CO 0.04 0.18 -0.50 -1.61 0.02 0.00 0.00 177.57 175.70 2kan s GLU 48 N -3.85 3.34 -1.15 1.57 0.41 0.11 -5.04 118.70 114.09 2kan s GLU 48 Ca -0.13 -0.57 -0.12 0.00 -0.41 0.00 0.00 54.97 53.73 2kan s GLU 48 Cb 0.01 -2.94 0.21 0.00 -1.78 0.00 0.00 34.13 29.62 2kan s GLU 48 CO 0.50 0.55 1.29 -0.80 -0.49 0.00 0.00 175.26 176.31 2kan s ASN 49 N -2.89 7.12 -0.16 -0.19 -0.87 -1.26 -4.30 114.94 112.39 2kan s ASN 49 Ca 0.34 -3.14 -0.07 0.00 -1.57 0.00 0.00 52.86 48.42 2kan s ASN 49 Cb -0.12 -2.33 0.06 0.00 -0.02 0.00 0.00 41.25 38.84 2kan s ASN 49 CO 0.27 -0.61 0.36 -0.89 -2.57 0.00 0.00 177.10 173.67 2kan s THR 50 N 0.65 -0.16 0.35 1.60 2.01 -1.26 -5.15 115.64 113.68 2kan s THR 50 Ca 0.37 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 2kan s THR 50 Cb -0.06 -0.55 -0.12 0.00 0.01 0.00 0.00 72.50 71.79 2kan s THR 50 CO -0.03 0.06 1.38 -2.65 -0.69 0.00 0.00 174.62 172.69 2kan n PRO 51 N 4.54 2.37 0.29 4.92 -0.02 -1.26 -4.60 135.00 141.24 2kan n PRO 51 Ca -0.20 0.83 0.15 0.00 -2.02 0.00 0.00 63.50 62.27 2kan n PRO 51 Cb 0.53 -2.48 0.87 0.00 -0.02 0.00 0.00 33.50 32.40 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 2.75 0.43 0.00 4.25 2.04 -1.91 -0.03 117.51 125.04 2kan h ILE 52 Ca -0.48 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2kan h ILE 52 Cb 1.26 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2kan h ILE 52 CO 0.64 0.05 0.00 0.29 0.00 0.00 0.00 178.15 179.13 2kan n LYS 53 N -3.60 0.02 -0.11 2.37 5.02 -1.26 -3.83 118.16 116.77 2kan n LYS 53 Ca -0.02 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 2kan n LYS 53 Cb 0.16 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.55 0.48 -2.69 1.97 1.74 -0.06 -4.93 116.66 111.62 2kan n ARG 54 Ca 0.06 0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.89 2kan n ARG 54 Cb 0.29 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.40 4.64 -0.18 5.56 0.23 -0.98 -0.28 119.30 125.90 2kan s MET 55 Ca -0.29 1.49 -0.02 0.00 -1.03 0.00 0.00 55.69 55.83 2kan s MET 55 Cb 0.10 -3.39 -0.01 0.00 -1.53 0.00 0.00 34.83 30.00 2kan s MET 55 CO 0.42 0.10 -0.08 -1.14 -2.03 0.00 0.00 175.02 172.29 2kan s GLN 56 N 0.29 3.40 -0.10 3.16 0.74 0.29 -4.88 119.66 122.55 2kan s GLN 56 Ca 0.49 -0.65 -0.22 0.00 0.05 0.00 0.00 55.36 55.03 2kan s GLN 56 Cb -0.24 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 2kan s GLN 56 CO 0.30 0.01 0.66 -0.51 -0.55 0.00 0.00 175.29 175.20 2kan s LEU 57 N 0.90 4.28 -0.15 3.68 1.43 -1.26 -1.61 118.68 125.94 2kan s LEU 57 Ca -0.02 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2kan s LEU 57 Cb -0.15 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.09 2kan s LEU 57 CO 0.00 -0.13 -0.18 -0.31 0.23 0.00 0.00 176.35 175.97 2kan s TYR 58 N 0.97 2.43 -0.30 0.29 1.51 0.12 -0.47 117.35 121.91 2kan s TYR 58 Ca 0.34 -1.34 -0.18 0.00 -1.01 0.00 0.00 57.07 54.89 2kan s TYR 58 Cb -0.17 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2kan s TYR 58 CO 0.15 -0.68 0.50 -0.47 -1.11 0.00 0.00 175.55 173.95 2kan s TYR 59 N 1.22 3.23 0.00 2.71 5.04 0.26 0.95 117.35 130.76 2kan s TYR 59 Ca 0.01 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 2kan s TYR 59 Cb -0.14 -2.80 0.00 0.00 0.35 0.00 0.00 41.96 39.38 2kan s TYR 59 CO -0.08 -0.38 0.00 -1.13 -1.34 0.00 0.00 175.55 172.61 2kan n SER 60 N 5.62 0.00 -0.00 4.32 3.41 -1.12 0.39 113.62 126.23 2kan n SER 60 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2kan n SER 60 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kan n GLY 61 N 0.00 1.31 3.59 5.00 0.00 -1.26 -4.90 105.19 108.92 2kan n GLY 61 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.73 4.46 0.17 -0.61 1.01 0.16 -5.09 121.20 120.57 2kan s ILE 62 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 2kan s ILE 62 Cb 0.00 -2.99 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 2kan s ILE 62 CO 0.00 0.48 0.73 -1.83 0.00 0.00 0.00 174.94 174.32 2kan s GLU 63 N 0.32 4.41 -0.97 2.79 1.03 -1.26 0.90 118.70 125.92 2kan s GLU 63 Ca 0.01 1.00 -0.18 0.00 0.03 0.00 0.00 54.97 55.83 2kan s GLU 63 Cb -0.13 -3.13 0.14 0.00 -0.80 0.00 0.00 34.13 30.21 2kan s GLU 63 CO 0.01 0.52 1.17 -0.51 -1.33 0.00 0.00 175.26 175.12 2kan s LEU 64 N -1.41 5.12 -0.05 1.83 1.43 0.38 -4.81 118.68 121.17 2kan s LEU 64 Ca 0.37 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.24 2kan s LEU 64 Cb -0.20 -2.39 -0.26 0.00 0.03 0.00 0.00 46.19 43.37 2kan s LEU 64 CO 0.23 -0.99 0.64 0.00 0.23 0.00 0.00 176.35 176.47 2kan h ALA 65 N 8.51 0.47 -1.91 4.21 0.00 -1.94 -3.44 119.26 125.15 2kan h ALA 65 Ca 0.18 -1.30 -0.64 0.00 0.00 0.00 0.00 54.91 53.15 2kan h ALA 65 Cb 1.00 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.13 2kan h ALA 65 CO 1.12 1.33 0.38 -0.51 0.00 0.00 0.00 179.25 181.56 2kan s ASP 66 N -6.75 6.30 0.19 0.00 1.01 -1.26 -4.91 116.67 111.24 2kan s ASP 66 Ca -0.12 -0.56 -0.10 0.00 0.71 0.00 0.00 52.55 52.47 2kan s ASP 66 Cb 0.07 -2.38 0.11 0.00 1.01 0.00 0.00 42.92 41.72 2kan s ASP 66 CO 0.82 -1.11 1.75 0.44 0.21 0.00 0.00 175.17 177.27 2kan h ASP 67 N 9.20 0.93 0.47 0.27 5.19 -1.92 -2.69 116.42 127.87 2kan h ASP 67 Ca -0.27 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2kan h ASP 67 Cb 1.08 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2kan h ASP 67 CO 1.05 0.85 0.00 0.00 -3.12 0.00 0.00 179.24 178.02 2kan n TYR 68 N -4.39 0.26 -2.67 4.55 0.18 -1.26 -1.86 117.16 111.97 2kan n TYR 68 Ca 0.05 0.11 -0.37 0.00 1.88 0.00 0.00 57.90 59.56 2kan n TYR 68 Cb 0.17 -0.68 -0.05 0.00 -0.38 0.00 0.00 39.34 38.40 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 -3.12 4.49 0.41 -3.48 1.81 -1.01 -4.81 118.95 113.24 2kan s ARG 69 Ca 0.05 1.45 -0.21 0.00 -1.72 0.00 0.00 55.73 55.30 2kan s ARG 69 Cb 0.08 -2.81 -0.11 0.00 -0.45 0.00 0.00 34.95 31.66 2kan s ARG 69 CO 0.26 0.17 0.93 -0.80 -0.68 0.00 0.00 175.30 175.18 2kan s ASN 70 N -1.47 6.96 0.49 0.23 -0.87 -1.26 -0.65 114.94 118.37 2kan s ASN 70 Ca 0.51 1.67 0.15 0.00 -1.57 0.00 0.00 52.86 53.62 2kan s ASN 70 Cb -0.22 -2.53 1.18 0.00 -0.02 0.00 0.00 41.25 39.66 2kan s ASN 70 CO 0.28 -0.33 2.12 -0.07 -2.57 0.00 0.00 177.10 176.53 2kan h LEU 71 N 2.04 0.12 -1.31 0.60 3.38 -0.96 -0.74 115.31 118.44 2kan h LEU 71 Ca -0.49 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.52 2kan h LEU 71 Cb 1.18 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2kan h LEU 71 CO 0.62 0.08 0.49 -1.13 0.09 0.00 0.00 178.44 178.59 2kan h ASN 72 N 0.14 0.76 0.22 -0.43 -1.24 -1.13 -2.01 115.58 111.89 2kan h ASN 72 Ca 0.06 -0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 2kan h ASN 72 Cb 0.06 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2kan h ASN 72 CO -0.01 0.51 -0.27 -0.33 -1.29 0.00 0.00 177.43 176.04 2kan h GLU 73 N 0.88 0.09 0.00 6.67 4.39 -1.42 -1.48 114.58 123.71 2kan h GLU 73 Ca 0.31 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2kan h GLU 73 Cb 0.11 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kan h GLU 73 CO -0.09 0.37 -0.23 0.66 -1.16 0.00 0.00 179.01 178.55 2kan n TYR 74 N -4.18 0.53 -2.05 4.33 4.01 -0.97 -4.93 117.16 113.90 2kan n TYR 74 Ca -0.02 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2kan n TYR 74 Cb 0.35 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 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 1.38 0.89 3.64 2.72 0.00 -0.56 -5.03 105.19 108.24 2kan n GLY 75 Ca 0.05 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.68 4.86 0.27 -0.61 1.01 -0.79 -5.03 121.20 118.22 2kan s ILE 76 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.19 2kan s ILE 76 Cb 0.00 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.39 2kan s ILE 76 CO 0.00 -0.05 0.13 1.07 0.00 0.00 0.00 174.94 176.10 2kan n THR 77 N 5.17 0.00 -2.61 2.92 5.66 -1.26 -4.64 114.28 119.52 2kan n THR 77 Ca 0.05 -1.13 -0.36 0.00 -3.05 0.00 0.00 64.05 59.55 2kan n THR 77 Cb 0.48 -0.09 -0.05 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 -3.06 4.26 -1.06 1.09 2.12 -1.26 -3.24 118.70 117.55 2kan s GLU 78 Ca 0.10 1.45 0.00 0.00 0.36 0.00 0.00 54.97 56.88 2kan s GLU 78 Cb -0.01 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.81 2kan s GLU 78 CO 0.06 -0.05 0.00 1.19 -0.54 0.00 0.00 175.26 175.93 2kan n PHE 79 N 0.02 -0.56 -2.37 5.30 3.72 0.79 -4.95 117.46 119.41 2kan n PHE 79 Ca 0.04 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.18 2kan n PHE 79 Cb 0.50 -2.73 0.03 0.00 -0.94 0.00 0.00 39.48 36.33 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 -2.46 5.64 -0.26 4.37 1.04 -1.20 -4.86 113.70 115.97 2kan s SER 80 Ca 0.00 0.77 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 2kan s SER 80 Cb 0.00 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 2kan s SER 80 CO 0.00 -1.04 0.07 -1.61 0.98 0.00 0.00 173.24 171.64 2kan s GLU 81 N -5.00 3.55 -0.38 4.02 8.01 -1.26 -0.56 118.70 127.08 2kan s GLU 81 Ca 0.54 -0.55 -0.07 0.00 0.01 0.00 0.00 54.97 54.90 2kan s GLU 81 Cb -0.11 -3.33 0.07 0.00 -4.31 0.00 0.00 34.13 26.45 2kan s GLU 81 CO 0.46 -0.24 0.18 0.42 0.01 0.00 0.00 175.26 176.09 2kan s ILE 82 N 1.59 3.90 -0.22 -1.63 -1.09 0.19 -2.79 121.20 121.14 2kan s ILE 82 Ca 0.06 -1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 56.91 2kan s ILE 82 Cb -0.15 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2kan s ILE 82 CO 0.03 -0.38 0.61 -0.69 -1.23 0.00 0.00 174.94 173.28 2kan s VAL 83 N 1.38 5.02 -0.47 2.92 1.01 0.27 -0.15 120.40 130.38 2kan s VAL 83 Ca 0.01 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 2kan s VAL 83 Cb -0.21 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.36 2kan s VAL 83 CO 0.02 0.09 0.34 -0.69 0.00 0.00 0.00 175.10 174.86 2kan s VAL 84 N 2.11 4.33 -0.28 2.92 1.01 -0.06 0.12 120.40 130.55 2kan s VAL 84 Ca 0.27 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 2kan s VAL 84 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2kan s VAL 84 CO 0.09 -0.73 0.39 -0.36 0.00 0.00 0.00 175.10 174.50 2kan s PHE 85 N 1.40 3.24 -0.33 5.22 0.08 -0.63 -4.29 117.98 122.67 2kan s PHE 85 Ca 0.05 0.37 -0.24 0.00 0.12 0.00 0.00 56.93 57.22 2kan s PHE 85 Cb -0.26 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 2kan s PHE 85 CO 0.00 -0.27 0.85 -0.51 -0.10 0.00 0.00 175.22 175.19 2kan s LEU 86 N 2.10 4.06 -0.35 -0.37 1.43 -1.26 -0.55 118.68 123.75 2kan s LEU 86 Ca 0.15 0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 53.64 2kan s LEU 86 Cb -0.16 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.92 2kan s LEU 86 CO 0.10 -0.71 0.84 -0.54 0.23 0.00 0.00 176.35 176.27 2kan s LYS 87 N 3.16 3.84 -1.36 1.70 -0.14 0.62 -4.94 119.74 122.62 2kan s LYS 87 Ca 0.35 0.49 -0.09 0.00 -1.36 0.00 0.00 55.97 55.36 2kan s LYS 87 Cb -0.13 -3.79 -0.07 0.00 -1.68 0.00 0.00 37.83 32.16 2kan s LYS 87 CO 0.15 -0.84 2.64 0.43 -0.76 0.00 0.00 175.35 176.96 2kan n SER 88 N 6.50 7.26 -4.40 2.83 7.64 -1.26 -4.68 113.62 127.51 2kan n SER 88 Ca 0.05 -2.49 -0.33 0.00 1.01 0.00 0.00 58.87 57.11 2kan n SER 88 Cb 0.48 -1.39 -0.14 0.00 -1.01 0.00 0.00 64.21 62.15 2kan n SER 88 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2kan s ILE 89 N 2.66 2.99 -0.77 0.44 -4.36 -1.26 -5.07 121.20 115.84 2kan s ILE 89 Ca 0.59 -0.71 -0.20 0.00 -0.26 0.00 0.00 60.65 60.07 2kan s ILE 89 Cb 0.15 -2.22 0.11 0.00 1.25 0.00 0.00 42.46 41.75 2kan s ILE 89 CO -0.05 0.55 0.98 0.21 0.24 0.00 0.00 174.94 176.87 2kan s ASN 90 N -0.05 6.39 -0.52 4.36 3.84 -1.26 -4.86 114.94 122.84 2kan s ASN 90 Ca -0.03 -1.58 -0.23 0.00 0.21 0.00 0.00 52.86 51.23 2kan s ASN 90 Cb -0.14 -2.38 0.04 0.00 -0.55 0.00 0.00 41.25 38.22 2kan s ASN 90 CO 0.04 -1.19 0.83 -0.13 -2.79 0.00 0.00 177.10 173.86 2kan s ARG 91 N 3.10 3.30 0.01 0.43 0.52 -1.26 -5.02 118.95 120.02 2kan s ARG 91 Ca 0.25 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 2kan s ARG 91 Cb -0.13 -4.04 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 2kan s ARG 91 CO 0.00 -1.34 -0.24 0.00 0.02 0.00 0.00 175.30 173.74 2kan s ALA 92 N 3.50 1.98 0.01 2.13 0.00 -1.26 -5.01 121.76 123.11 2kan s ALA 92 Ca 0.27 -1.07 0.28 0.00 0.00 0.00 0.00 51.96 51.44 2kan s ALA 92 Cb -0.14 -0.46 1.02 0.00 0.00 0.00 0.00 23.12 23.54 2kan s ALA 92 CO 0.18 0.47 1.86 1.57 0.00 0.00 0.00 175.76 179.85 2kan h LYS 93 N 5.26 0.00 0.00 0.00 2.10 -2.07 -3.57 116.57 118.29 2kan h LYS 93 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2kan h LYS 93 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2kan h LYS 93 CO 0.46 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 177.74