#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n VAL 3 N 0.00 0.00 0.32 5.15 0.31 -1.26 -4.46 118.33 118.39 3kni n VAL 3 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.53 3kni n VAL 3 Cb 0.00 0.00 1.07 0.00 -0.91 0.00 0.00 33.84 34.00 3kni n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3kni h LYS 4 N 0.17 0.00 0.00 5.55 2.10 -2.05 -3.45 116.57 118.89 3kni h LYS 4 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kni h LYS 4 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kni h LYS 4 CO 0.00 0.00 0.00 -1.33 -2.00 0.00 0.00 179.45 176.12 3kni n MET 5 N -3.22 0.00 0.00 0.07 2.81 -1.26 -4.99 117.12 110.53 3kni n MET 5 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3kni n MET 5 Cb 0.16 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.67 3kni n MET 5 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3kni n HIS 6 N 0.00 0.00 -0.77 2.03 1.44 -1.26 -5.09 115.22 111.57 3kni n HIS 6 Ca 0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.79 3kni n HIS 6 Cb 0.00 0.00 0.37 0.00 0.12 0.00 0.00 29.99 30.48 3kni n HIS 6 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3kni n VAL 7 N 0.00 2.27 -3.99 0.61 0.31 -1.26 -5.03 118.33 111.23 3kni n VAL 7 Ca 0.00 -1.34 -0.09 0.00 -0.01 0.00 0.00 64.34 62.90 3kni n VAL 7 Cb 0.00 -0.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.80 3kni n VAL 7 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kni s LYS 8 N -2.31 1.48 0.00 5.55 3.01 -1.26 -4.73 119.74 121.48 3kni s LYS 8 Ca 0.52 -1.25 0.00 0.00 -1.01 0.00 0.00 55.97 54.23 3kni s LYS 8 Cb 0.37 0.45 0.00 0.00 -1.01 0.00 0.00 37.83 37.64 3kni s LYS 8 CO 0.20 -0.60 0.00 0.36 0.51 0.00 0.00 175.35 175.81 3kni n LYS 9 N -0.36 0.00 -2.99 1.68 2.85 -1.26 -5.05 118.16 113.04 3kni n LYS 9 Ca -0.02 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.80 3kni n LYS 9 Cb 0.62 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.00 3kni n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3kni s GLY 10 N 0.00 2.45 0.00 2.58 0.00 -1.26 -3.94 107.32 107.15 3kni s GLY 10 Ca 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 44.72 41.37 3kni s GLY 10 CO 0.00 1.97 0.00 2.09 0.00 0.00 0.00 173.10 177.16 3kni n ASP 11 N 5.43 0.00 -4.16 1.64 5.68 -1.26 -4.82 116.55 119.05 3kni n ASP 11 Ca 0.34 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.37 3kni n ASP 11 Cb 0.43 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.25 3kni n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kni s THR 12 N 1.25 1.48 0.09 2.12 2.01 -1.26 0.18 115.64 121.51 3kni s THR 12 Ca 0.00 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3kni s THR 12 Cb 0.00 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 3kni s THR 12 CO 0.00 0.42 0.04 1.33 -0.69 0.00 0.00 174.62 175.72 3kni n VAL 13 N 2.93 0.00 -3.96 3.82 0.24 -0.64 -3.93 118.33 116.80 3kni n VAL 13 Ca -0.17 -0.56 -0.09 0.00 -2.04 0.00 0.00 64.34 61.48 3kni n VAL 13 Cb 0.53 0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 33.00 3kni n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kni s LEU 14 N 0.00 2.12 -0.03 1.34 2.96 0.42 -3.43 118.68 122.06 3kni s LEU 14 Ca 0.05 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 3kni s LEU 14 Cb 0.00 0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.86 3kni s LEU 14 CO 0.04 -0.30 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.87 3kni s VAL 15 N -1.38 1.69 -0.07 1.68 1.01 -1.19 0.98 120.40 123.12 3kni s VAL 15 Ca -0.15 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.03 3kni s VAL 15 Cb -0.09 -1.41 0.15 0.00 0.00 0.00 0.00 36.38 35.02 3kni s VAL 15 CO -0.01 0.48 1.05 0.00 0.00 0.00 0.00 175.10 176.62 3kni n ALA 16 N 2.70 2.07 -1.00 5.51 0.00 -0.97 -0.41 120.51 128.41 3kni n ALA 16 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.48 3kni n ALA 16 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3kni n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kni n SER 17 N -0.90 0.00 0.00 0.00 3.41 -1.26 -4.94 113.62 109.93 3kni n SER 17 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3kni n SER 17 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3kni n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kni n GLY 18 N 2.48 0.28 0.20 5.00 0.00 -1.26 -4.35 105.19 107.55 3kni n GLY 18 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3kni n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kni h LYS 19 N 0.00 0.00 -1.32 1.61 3.64 -2.04 0.08 116.57 118.54 3kni h LYS 19 Ca 0.00 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.98 3kni h LYS 19 Cb 0.00 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.46 3kni h LYS 19 CO 0.00 0.00 -1.09 0.66 -2.27 0.00 0.00 179.45 176.75 3kni n TYR 20 N -2.04 0.16 -3.06 1.91 4.02 -1.26 -5.05 117.16 111.84 3kni n TYR 20 Ca -0.00 -3.16 -0.40 0.00 -0.01 0.00 0.00 57.90 54.33 3kni n TYR 20 Cb 0.58 -0.11 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 3kni n TYR 20 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3kni s LYS 21 N -2.33 4.34 0.00 -0.72 2.47 0.01 -3.79 119.74 119.73 3kni s LYS 21 Ca 0.32 0.80 0.00 0.00 -1.56 0.00 0.00 55.97 55.53 3kni s LYS 21 Cb 0.39 -3.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.25 3kni s LYS 21 CO -0.03 -0.09 0.00 0.41 0.16 0.00 0.00 175.35 175.80 3kni n GLY 22 N 3.39 3.11 3.40 5.54 0.00 0.46 -4.98 105.19 116.11 3kni n GLY 22 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3kni n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 23 N -0.55 0.10 -4.25 1.61 1.74 -1.25 -4.64 116.66 109.42 3kni n ARG 23 Ca 0.00 0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 3kni n ARG 23 Cb 0.00 -1.73 -0.11 0.00 -1.02 0.00 0.00 32.46 29.60 3kni n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kni s VAL 24 N -2.06 1.37 0.00 1.55 1.01 -1.26 -3.20 120.40 117.81 3kni s VAL 24 Ca 0.61 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3kni s VAL 24 Cb -0.30 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3kni s VAL 24 CO 0.63 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3kni n GLY 25 N 0.50 0.79 0.00 4.51 0.00 -1.22 -5.01 105.19 104.76 3kni n GLY 25 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3kni n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kni n LYS 26 N -0.24 -0.10 -0.98 1.61 4.81 -1.26 -1.62 118.16 120.38 3kni n LYS 26 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 3kni n LYS 26 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3kni n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3kni n VAL 27 N -1.66 0.88 -0.30 3.15 0.31 0.47 -4.10 118.33 117.09 3kni n VAL 27 Ca 0.00 -0.22 0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3kni n VAL 27 Cb 0.00 0.00 0.32 0.00 -0.91 0.00 0.00 33.84 33.25 3kni n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kni n LYS 28 N 0.80 2.78 -3.95 5.55 0.00 -1.25 -3.50 118.16 118.59 3kni n LYS 28 Ca 0.13 -2.59 -0.34 0.00 -0.00 0.00 0.00 58.31 55.51 3kni n LYS 28 Cb 0.13 -1.60 0.01 0.00 -0.00 0.00 0.00 35.03 33.58 3kni n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3kni n GLU 29 N 1.52 -0.48 -1.54 -1.58 4.71 -1.26 -1.84 120.64 120.16 3kni n GLU 29 Ca 0.24 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.16 56.96 3kni n GLU 29 Cb 0.64 -1.53 0.05 0.00 -1.01 0.00 0.00 31.44 29.59 3kni n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kni n VAL 30 N -3.83 3.19 0.00 2.62 0.31 -1.26 -4.71 118.33 114.65 3kni n VAL 30 Ca -0.09 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3kni n VAL 30 Cb 0.42 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 3kni n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kni n LEU 31 N -0.47 0.00 -2.10 7.52 7.99 -0.84 -5.02 117.00 124.07 3kni n LEU 31 Ca 0.13 0.00 -0.21 0.00 -0.01 0.00 0.00 56.01 55.92 3kni n LEU 31 Cb 0.48 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.82 3kni n LEU 31 CO 0.49 0.00 0.16 -0.81 -1.51 0.00 0.00 177.39 175.72 3kni n PRO 32 N 0.00 3.36 0.00 3.23 -0.04 -1.26 -4.99 135.00 135.30 3kni n PRO 32 Ca 0.00 -4.08 0.00 0.00 -0.04 0.00 0.00 63.50 59.38 3kni n PRO 32 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 3kni n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kni n LYS 33 N -0.70 0.00 -0.01 0.54 5.02 -1.26 0.23 118.16 121.98 3kni n LYS 33 Ca 0.39 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3kni n LYS 33 Cb 0.95 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 3kni n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kni n LYS 34 N -1.35 2.03 -3.80 1.97 5.02 -1.26 -5.00 118.16 115.77 3kni n LYS 34 Ca 0.00 -1.23 -0.28 0.00 -2.02 0.00 0.00 58.31 54.78 3kni n LYS 34 Cb 0.08 -0.86 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 3kni n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3kni n TYR 35 N -0.37 -1.79 -4.15 2.13 9.36 0.63 -4.94 117.16 118.02 3kni n TYR 35 Ca 0.00 0.59 -0.10 0.00 3.32 0.00 0.00 57.90 61.72 3kni n TYR 35 Cb 0.34 -3.64 -0.10 0.00 -0.63 0.00 0.00 39.34 35.31 3kni n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kni s ALA 36 N -3.68 0.86 0.00 2.98 0.00 -1.26 -2.67 121.76 117.99 3kni s ALA 36 Ca 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3kni s ALA 36 Cb -0.09 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3kni s ALA 36 CO 0.87 -0.34 0.00 1.33 0.00 0.00 0.00 175.76 177.62 3kni n VAL 37 N -0.03 0.00 0.00 0.00 0.24 0.23 -1.99 118.33 116.77 3kni n VAL 37 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3kni n VAL 37 Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3kni n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kni n ILE 38 N 0.00 0.00 0.00 1.34 2.08 -0.77 -4.54 119.36 117.47 3kni n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3kni n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3kni n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3kni n VAL 39 N -1.58 0.00 0.00 1.39 0.31 -1.23 -3.36 118.33 113.87 3kni n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kni n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kni n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.04 120.64 120.30 3kni n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kni n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3kni n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kni n GLY 41 N 0.00 -1.77 3.76 0.62 0.00 -1.21 -4.89 105.19 101.70 3kni n GLY 41 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kni n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kni s VAL 42 N 0.00 2.70 0.00 1.61 1.01 -1.26 -4.87 120.40 119.58 3kni s VAL 42 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3kni s VAL 42 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3kni s VAL 42 CO 0.00 -0.02 0.00 0.59 0.00 0.00 0.00 175.10 175.67 3kni n ASN 43 N -0.86 0.00 0.00 3.32 5.03 -1.26 0.63 115.26 122.12 3kni n ASN 43 Ca 0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.54 3kni n ASN 43 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 3kni n ASN 43 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3kni n ILE 44 N 0.00 -0.59 -1.28 2.41 5.41 -1.26 -4.36 119.36 119.70 3kni n ILE 44 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 3kni n ILE 44 Cb 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 39.64 39.15 3kni n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3kni s VAL 45 N -1.65 1.72 0.00 1.39 1.01 -1.26 -4.55 120.40 117.06 3kni s VAL 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kni s VAL 45 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3kni s VAL 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.39 3kni n LYS 46 N -4.49 0.00 0.00 2.72 5.02 -1.26 -4.99 118.16 115.16 3kni n LYS 46 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3kni n LYS 46 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 3kni n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3kni n LYS 47 N 0.00 0.00 -0.23 1.97 -0.00 -1.26 -4.99 118.16 113.64 3kni n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kni n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3kni n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kni n ALA 48 N 0.00 0.00 -1.47 0.58 0.00 -1.24 -4.93 120.51 113.45 3kni n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kni n ALA 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kni n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kni n VAL 49 N -2.15 0.00 0.00 0.00 0.31 -1.26 -4.71 118.33 110.53 3kni n VAL 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 49 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kni n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kni n ARG 50 N 0.00 0.00 0.00 5.55 1.74 -1.26 -3.52 116.66 119.17 3kni n ARG 50 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kni n ARG 50 Cb 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 3kni n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kni n VAL 51 N 0.62 0.00 0.00 1.55 0.31 -1.26 -4.29 118.33 115.27 3kni n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kni n VAL 51 Cb 0.00 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3kni n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kni n SER 52 N -0.17 0.00 0.00 4.52 3.41 -1.26 -4.99 113.62 115.13 3kni n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kni n SER 52 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3kni n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kni n PRO 53 N 0.00 0.00 -1.87 4.33 -0.02 -1.26 -4.79 135.00 131.39 3kni n PRO 53 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3kni n PRO 53 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 3kni n PRO 53 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kni s LYS 54 N 0.00 3.31 -0.13 -0.52 2.20 -1.26 -2.41 119.74 120.92 3kni s LYS 54 Ca 0.00 1.66 -0.02 0.00 -0.36 0.00 0.00 55.97 57.25 3kni s LYS 54 Cb 0.00 -4.25 0.01 0.00 -1.51 0.00 0.00 37.83 32.08 3kni s LYS 54 CO 0.00 -1.89 0.04 2.48 -0.36 0.00 0.00 175.35 175.62 3kni n TYR 55 N 10.59 -2.04 0.00 4.03 0.18 -1.26 -4.92 117.16 123.74 3kni n TYR 55 Ca 0.25 1.01 0.00 0.00 1.88 0.00 0.00 57.90 61.04 3kni n TYR 55 Cb 0.46 -2.45 0.00 0.00 -0.38 0.00 0.00 39.34 36.97 3kni n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3kni n PRO 56 N 1.41 0.00 -0.95 -3.48 -0.02 -1.01 -4.82 135.00 126.13 3kni n PRO 56 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.06 3kni n PRO 56 Cb 0.28 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.83 3kni n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kni n GLN 57 N 0.00 -0.09 -1.00 -0.52 6.02 -1.24 -4.44 117.38 116.12 3kni n GLN 57 Ca 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.00 3kni n GLN 57 Cb 0.00 -1.32 0.01 0.00 1.02 0.00 0.00 30.24 29.95 3kni n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kni n GLY 58 N 2.72 0.75 0.00 1.08 0.00 -1.23 -4.79 105.19 103.72 3kni n GLY 58 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3kni n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLY 59 N 0.25 3.11 0.00 -0.02 0.00 -1.26 -4.79 105.19 102.47 3kni n GLY 59 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3kni n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kni n PHE 60 N 0.92 0.00 0.31 1.61 3.01 -1.26 -3.71 117.46 118.33 3kni n PHE 60 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.65 3kni n PHE 60 Cb 0.00 0.00 0.94 0.00 -0.01 0.00 0.00 39.48 40.41 3kni n PHE 60 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3kni h ILE 61 N 0.00 0.00 -0.85 4.37 1.08 -1.98 -3.36 117.51 116.77 3kni h ILE 61 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3kni h ILE 61 Cb 0.16 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 3kni h ILE 61 CO 0.00 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.84 3kni n GLU 62 N -2.96 0.00 -3.34 2.37 4.71 -1.26 -4.91 120.64 115.25 3kni n GLU 62 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.93 3kni n GLU 62 Cb 0.16 -0.42 0.02 0.00 -1.01 0.00 0.00 31.44 30.18 3kni n GLU 62 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3kni s LYS 63 N -3.98 2.41 0.53 3.49 1.02 -1.26 -4.99 119.74 116.97 3kni s LYS 63 Ca 0.00 -1.66 -0.13 0.00 0.02 0.00 0.00 55.97 54.20 3kni s LYS 63 Cb 0.00 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 3kni s LYS 63 CO 0.00 -0.60 -0.70 0.39 -0.92 0.00 0.00 175.35 173.52 3kni n GLU 64 N -1.95 0.00 -4.24 1.68 4.71 -1.26 -4.61 120.64 114.97 3kni n GLU 64 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.04 3kni n GLU 64 Cb 0.62 -0.62 -0.15 0.00 -1.01 0.00 0.00 31.44 30.27 3kni n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kni s ALA 65 N -1.24 0.66 0.00 0.62 0.00 0.21 -4.79 121.76 117.21 3kni s ALA 65 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3kni s ALA 65 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3kni s ALA 65 CO 0.30 0.08 0.00 -2.30 0.00 0.00 0.00 175.76 173.83 3kni n PRO 66 N 3.45 0.00 -0.47 0.00 -0.02 -1.26 -4.42 135.00 132.28 3kni n PRO 66 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3kni n PRO 66 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3kni n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kni n LEU 67 N 0.00 -1.27 0.00 2.45 7.94 -1.26 -3.83 117.00 121.03 3kni n LEU 67 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 3kni n LEU 67 Cb 0.00 -0.63 0.02 0.00 0.53 0.00 0.00 43.42 43.34 3kni n LEU 67 CO 0.00 0.00 0.03 1.57 -1.11 0.00 0.00 177.39 177.88 3kni n HIS 68 N 1.10 -1.04 -0.10 1.96 -0.00 -1.26 -0.60 115.22 115.28 3kni n HIS 68 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 3kni n HIS 68 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 3kni n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kni n ALA 69 N -1.73 1.66 0.12 1.57 0.00 -1.09 -3.54 120.51 117.50 3kni n ALA 69 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.30 3kni n ALA 69 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.51 3kni n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kni h SER 70 N 0.00 0.00 -0.26 0.00 0.87 -1.93 -3.30 113.55 108.93 3kni h SER 70 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3kni h SER 70 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3kni h SER 70 CO 0.00 0.44 -0.13 0.11 -0.53 0.00 0.00 176.83 176.71 3kni h LYS 71 N 0.00 0.68 -6.22 2.24 1.57 -1.95 -3.46 116.57 109.44 3kni h LYS 71 Ca -0.04 -0.22 -0.49 0.00 -1.87 0.00 0.00 60.65 58.03 3kni h LYS 71 Cb 1.37 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 3kni h LYS 71 CO 0.05 0.79 -0.42 0.14 -0.57 0.00 0.00 179.45 179.44 3kni s VAL 72 N -4.74 3.45 0.04 0.50 -7.23 -1.25 -2.29 120.40 108.88 3kni s VAL 72 Ca -0.09 -1.31 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 3kni s VAL 72 Cb 0.14 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 3kni s VAL 72 CO 0.81 -0.14 0.10 -0.13 -0.31 0.00 0.00 175.10 175.43 3kni s ARG 73 N -4.05 0.60 0.40 4.82 0.52 0.28 -4.91 118.95 116.61 3kni s ARG 73 Ca 0.43 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.80 3kni s ARG 73 Cb -0.06 0.24 0.10 0.00 0.52 0.00 0.00 34.95 35.74 3kni s ARG 73 CO 0.27 -0.15 0.38 -0.35 0.02 0.00 0.00 175.30 175.47 3kni n PRO 74 N 0.71 -1.49 0.00 3.54 -0.04 -1.26 0.16 135.00 136.62 3kni n PRO 74 Ca -0.19 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 3kni n PRO 74 Cb 0.59 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 3kni n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3kni n ILE 75 N -3.17 0.00 -4.05 0.52 3.06 -1.25 -3.69 119.36 110.78 3kni n ILE 75 Ca 0.05 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.20 3kni n ILE 75 Cb 0.20 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.27 3kni n ILE 75 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kni n PRO 77 N 1.18 -0.96 -3.39 0.00 -0.02 -1.26 -4.51 135.00 126.03 3kni n PRO 77 Ca -0.21 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 3kni n PRO 77 Cb 0.56 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3kni n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kni n ALA 78 N -1.57 0.00 -2.41 3.55 0.00 -1.26 -4.88 120.51 113.95 3kni n ALA 78 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 3kni n ALA 78 Cb 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.40 3kni n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n GLY 80 N 2.14 2.03 0.00 0.00 0.00 -1.24 -4.93 105.19 103.19 3kni n GLY 80 Ca -0.16 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kni n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kni n LYS 81 N 11.85 0.00 -0.19 1.61 5.02 -1.26 -3.93 118.16 131.26 3kni n LYS 81 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3kni n LYS 81 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 3kni n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kni n PRO 82 N -0.61 -1.30 -3.56 1.97 -0.02 -1.26 -4.42 135.00 125.80 3kni n PRO 82 Ca 0.00 -0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 60.84 3kni n PRO 82 Cb 0.00 -0.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3kni n PRO 82 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kni n THR 83 N -3.58 0.00 -3.62 3.45 -2.24 -1.26 -4.51 114.28 102.52 3kni n THR 83 Ca 0.04 -1.90 -0.03 0.00 -2.27 0.00 0.00 64.05 59.89 3kni n THR 83 Cb 0.17 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 3kni n THR 83 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kni s ARG 84 N -3.93 0.43 -0.55 -0.78 0.52 -0.21 -4.85 118.95 109.58 3kni s ARG 84 Ca 0.25 0.78 -0.17 0.00 -0.52 0.00 0.00 55.73 56.07 3kni s ARG 84 Cb -0.02 0.15 0.11 0.00 0.52 0.00 0.00 34.95 35.71 3kni s ARG 84 CO 0.16 -0.10 0.58 0.08 0.02 0.00 0.00 175.30 176.04 3kni s VAL 85 N 1.56 5.03 0.38 3.52 1.01 -1.26 0.42 120.40 131.06 3kni s VAL 85 Ca -0.08 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.75 3kni s VAL 85 Cb -0.04 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3kni s VAL 85 CO -0.16 -0.92 0.59 -0.60 0.00 0.00 0.00 175.10 174.00 3kni s ARG 86 N 2.12 3.33 0.00 2.72 3.52 -0.93 -4.93 118.95 124.79 3kni s ARG 86 Ca 0.08 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3kni s ARG 86 Cb -0.26 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3kni s ARG 86 CO 0.06 0.00 0.00 0.36 -0.81 0.00 0.00 175.30 174.91 3kni n LYS 87 N -1.88 0.00 0.00 5.12 2.85 -1.26 -2.29 118.16 120.69 3kni n LYS 87 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 3kni n LYS 87 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 3kni n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kni n LYS 88 N 0.00 0.00 -1.65 -1.58 4.01 -1.26 -3.55 118.16 114.13 3kni n LYS 88 Ca 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.64 3kni n LYS 88 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 3kni n LYS 88 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3kni n PHE 89 N 0.00 -0.45 0.16 2.13 3.01 -1.26 -4.43 117.46 116.62 3kni n PHE 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kni n PHE 89 Cb 0.00 -2.94 0.00 0.00 -0.01 0.00 0.00 39.48 36.53 3kni n PHE 89 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3kni n LEU 90 N -2.21 -2.85 0.00 4.37 -0.00 -1.26 -5.16 117.00 109.89 3kni n LEU 90 Ca -0.16 0.64 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 3kni n LEU 90 Cb 0.54 2.80 0.00 0.00 -0.00 0.00 0.00 43.42 46.76 3kni n LEU 90 CO 0.23 0.08 0.00 -0.62 -0.00 0.00 0.00 177.39 177.08 3kni n GLU 91 N -3.14 3.39 -4.10 1.47 1.02 -1.26 -5.15 120.64 112.87 3kni n GLU 91 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3kni n GLU 91 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 3kni n GLU 91 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3kni s ASN 92 N 1.00 1.02 -0.04 1.62 2.47 -1.26 -4.33 114.94 115.43 3kni s ASN 92 Ca 0.00 -0.12 -0.01 0.00 0.42 0.00 0.00 52.86 53.15 3kni s ASN 92 Cb 0.00 -0.44 0.03 0.00 -1.45 0.00 0.00 41.25 39.38 3kni s ASN 92 CO 0.00 -0.07 0.03 -0.83 -3.72 0.00 0.00 177.10 172.51 3kni s GLY 93 N 1.05 0.24 0.30 1.21 0.00 -0.97 -4.99 107.32 104.16 3kni s GLY 93 Ca -0.09 0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 3kni s GLY 93 CO -0.01 1.01 1.36 0.58 0.00 0.00 0.00 173.10 176.05 3kni n LYS 94 N 4.76 2.14 -4.24 2.90 2.85 -1.25 -2.18 118.16 123.14 3kni n LYS 94 Ca -0.15 0.76 -0.19 0.00 -1.05 0.00 0.00 58.31 57.68 3kni n LYS 94 Cb 0.50 -2.39 -0.12 0.00 -0.65 0.00 0.00 35.03 32.38 3kni n LYS 94 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kni s LYS 95 N -1.17 1.00 0.84 -1.58 2.20 1.40 -1.63 119.74 120.81 3kni s LYS 95 Ca 0.61 -1.17 -0.09 0.00 -0.36 0.00 0.00 55.97 54.96 3kni s LYS 95 Cb -0.59 -0.98 0.16 0.00 -1.51 0.00 0.00 37.83 34.90 3kni s LYS 95 CO 0.56 0.20 1.17 0.42 -0.36 0.00 0.00 175.35 177.34 3kni s ILE 96 N -1.78 2.07 -1.14 5.43 1.01 -0.83 -1.04 121.20 124.92 3kni s ILE 96 Ca 0.06 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 3kni s ILE 96 Cb -0.07 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.67 3kni s ILE 96 CO 0.03 0.00 1.53 -0.60 0.00 0.00 0.00 174.94 175.91 3kni s ARG 97 N -5.54 3.79 0.00 2.79 6.06 -1.26 -3.23 118.95 121.57 3kni s ARG 97 Ca 0.70 -1.66 0.00 0.00 -2.50 0.00 0.00 55.73 52.27 3kni s ARG 97 Cb -0.05 -5.36 0.00 0.00 0.06 0.00 0.00 34.95 29.60 3kni s ARG 97 CO 0.49 -2.15 0.00 0.28 -2.50 0.00 0.00 175.30 171.42 3kni n VAL 98 N 6.37 0.00 -2.91 7.11 0.31 -1.26 -5.07 118.33 122.88 3kni n VAL 98 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 3kni n VAL 98 Cb 0.48 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3kni n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kni s ALA 100 N -1.44 -1.21 0.38 0.00 0.00 -1.26 -1.96 121.76 116.27 3kni s ALA 100 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3kni s ALA 100 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 3kni s ALA 100 CO 0.00 -0.98 0.00 1.17 0.00 0.00 0.00 175.76 175.95 3kni n LYS 101 N -0.44 -2.33 0.00 0.00 4.81 -0.65 -4.67 118.16 114.88 3kni n LYS 101 Ca -0.06 1.77 0.00 0.00 -0.87 0.00 0.00 58.31 59.15 3kni n LYS 101 Cb 0.60 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.88 3kni n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57