#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktw n LEU 3 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.05 117.00 117.50 3ktw n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ktw n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ktw n LEU 3 CO 0.00 0.00 0.34 -1.14 -1.33 0.00 0.00 177.39 175.26 3ktw n ARG 4 N 12.95 1.03 -0.20 3.23 0.63 -1.26 -4.80 116.66 128.24 3ktw n ARG 4 Ca 0.00 -0.90 -0.05 0.00 -0.92 0.00 0.00 57.85 55.97 3ktw n ARG 4 Cb 0.00 -0.89 -0.05 0.00 0.45 0.00 0.00 32.46 31.98 3ktw n ARG 4 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3ktw n ASP 5 N -0.23 -0.50 -0.00 6.15 5.75 -1.26 -0.32 116.55 126.14 3ktw n ASP 5 Ca 0.00 1.19 0.00 0.00 -0.01 0.00 0.00 54.79 55.97 3ktw n ASP 5 Cb 0.20 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3ktw n ASP 5 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3ktw n LEU 6 N -4.10 0.00 -0.35 -2.12 4.32 -1.26 0.31 117.00 113.80 3ktw n LEU 6 Ca 0.01 0.00 0.16 0.00 -0.02 0.00 0.00 56.01 56.16 3ktw n LEU 6 Cb 0.12 -0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.29 3ktw n LEU 6 CO -0.08 -0.00 1.17 0.50 -1.22 0.00 0.00 177.39 177.77 3ktw h LYS 7 N 0.00 0.62 -0.00 3.23 3.64 -0.88 1.86 116.57 125.03 3ktw h LYS 7 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ktw h LYS 7 Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ktw h LYS 7 CO -0.00 0.41 -0.12 -1.91 -2.27 0.00 0.00 179.45 175.55 3ktw n GLU 8 N -4.84 0.15 -0.56 1.90 4.07 0.92 -3.70 120.64 118.58 3ktw n GLU 8 Ca 0.26 -0.04 0.08 0.00 -0.06 0.00 0.00 57.16 57.40 3ktw n GLU 8 Cb 0.69 -1.50 0.30 0.00 -0.06 0.00 0.00 31.44 30.88 3ktw n GLU 8 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3ktw n GLU 9 N -1.39 3.57 -2.88 5.31 1.02 0.63 -4.93 120.64 121.96 3ktw n GLU 9 Ca 0.09 -2.86 -0.18 0.00 -0.02 0.00 0.00 57.16 54.19 3ktw n GLU 9 Cb 0.32 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 29.82 3ktw n GLU 9 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ktw n ASN 10 N 0.10 -3.98 -4.94 1.62 5.15 -0.86 -4.88 115.26 107.47 3ktw n ASN 10 Ca 0.23 -0.09 -0.24 0.00 -0.60 0.00 0.00 54.58 53.88 3ktw n ASN 10 Cb 0.93 -3.33 -0.03 0.00 -0.53 0.00 0.00 39.78 36.83 3ktw n ASN 10 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ktw s ARG 11 N -5.50 3.39 -0.06 1.20 1.81 -0.84 0.56 118.95 119.50 3ktw s ARG 11 Ca 0.20 -0.69 -0.09 0.00 -1.72 0.00 0.00 55.73 53.42 3ktw s ARG 11 Cb -0.10 -2.90 0.02 0.00 -0.45 0.00 0.00 34.95 31.52 3ktw s ARG 11 CO 0.24 0.48 0.23 0.96 -0.68 0.00 0.00 175.30 176.53 3ktw s ILE 12 N -1.85 0.03 0.10 1.52 -4.36 0.35 -4.43 121.20 112.57 3ktw s ILE 12 Ca 0.34 -0.24 -0.26 0.00 -0.26 0.00 0.00 60.65 60.23 3ktw s ILE 12 Cb -0.10 -0.42 -0.06 0.00 1.25 0.00 0.00 42.46 43.13 3ktw s ILE 12 CO 0.28 -0.13 0.82 0.54 0.24 0.00 0.00 174.94 176.69 3ktw s VAL 13 N -0.47 4.55 -0.23 8.37 0.11 -1.26 -1.48 120.40 129.99 3ktw s VAL 13 Ca -0.06 1.77 -0.00 0.00 -2.93 0.00 0.00 61.98 60.76 3ktw s VAL 13 Cb -0.04 -4.18 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 3ktw s VAL 13 CO 0.01 0.40 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.45 3ktw s ILE 14 N -0.40 2.57 -0.18 7.04 1.01 0.31 -4.98 121.20 126.57 3ktw s ILE 14 Ca 0.40 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.75 3ktw s ILE 14 Cb -0.22 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3ktw s ILE 14 CO 0.26 0.26 0.67 0.26 0.00 0.00 0.00 174.94 176.38 3ktw s TRP 15 N 1.28 3.40 0.46 3.97 0.52 -1.26 -1.46 118.94 125.85 3ktw s TRP 15 Ca 0.00 1.01 0.26 0.00 0.02 0.00 0.00 56.10 57.39 3ktw s TRP 15 Cb -0.16 -2.83 1.30 0.00 -1.15 0.00 0.00 33.47 30.63 3ktw s TRP 15 CO -0.07 -0.16 1.78 -1.35 0.02 0.00 0.00 176.95 177.17 3ktw h PRO 16 N 7.39 0.21 -0.75 4.98 0.11 -1.98 0.19 132.00 142.15 3ktw h PRO 16 Ca -0.32 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.90 3ktw h PRO 16 Cb 1.15 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 3ktw h PRO 16 CO 0.78 0.14 0.49 0.77 -0.21 0.00 0.00 178.00 179.98 3ktw h SER 17 N 0.22 0.51 -1.25 -2.05 0.02 -1.93 -0.63 113.55 108.44 3ktw h SER 17 Ca 0.60 0.02 0.40 0.00 -0.84 0.00 0.00 61.79 61.97 3ktw h SER 17 Cb 1.87 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 64.23 3ktw h SER 17 CO -0.19 0.29 0.84 -1.22 -1.14 0.00 0.00 176.83 175.41 3ktw n TYR 18 N -4.50 0.39 -0.06 3.45 4.02 0.68 -2.17 117.16 118.96 3ktw n TYR 18 Ca 0.13 0.39 -0.09 0.00 -0.01 0.00 0.00 57.90 58.32 3ktw n TYR 18 Cb 0.41 -0.80 -0.03 0.00 -0.02 0.00 0.00 39.34 38.91 3ktw n TYR 18 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3ktw n PHE 19 N -4.05 0.00 -2.04 -0.72 3.72 -0.29 -0.98 117.46 113.10 3ktw n PHE 19 Ca 0.33 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.34 3ktw n PHE 19 Cb 1.36 -0.43 0.03 0.00 -0.94 0.00 0.00 39.48 39.50 3ktw n PHE 19 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3ktw n PHE 20 N -4.15 2.82 -4.13 1.38 3.72 -0.94 -4.62 117.46 111.55 3ktw n PHE 20 Ca -0.16 -2.35 -0.35 0.00 -0.05 0.00 0.00 57.45 54.54 3ktw n PHE 20 Cb 0.46 -1.22 -0.09 0.00 -0.94 0.00 0.00 39.48 37.69 3ktw n PHE 20 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ktw s SER 21 N -1.00 5.62 0.46 4.37 0.15 -0.92 -4.75 113.70 117.63 3ktw s SER 21 Ca 0.50 0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.47 3ktw s SER 21 Cb 0.38 -1.80 1.04 0.00 -1.71 0.00 0.00 66.02 63.93 3ktw s SER 21 CO -0.34 0.30 2.03 -0.65 1.20 0.00 0.00 173.24 175.79 3ktw h PRO 22 N 5.73 0.08 -5.12 5.44 0.11 -1.92 -3.42 132.00 132.91 3ktw h PRO 22 Ca -0.46 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.19 3ktw h PRO 22 Cb 1.19 -0.01 -0.29 0.00 0.11 0.00 0.00 31.00 32.00 3ktw h PRO 22 CO 0.61 0.17 -0.80 -0.08 -0.21 0.00 0.00 178.00 177.69 3ktw s THR 23 N -4.84 0.99 0.15 -1.15 -1.32 -1.26 -5.04 115.64 103.16 3ktw s THR 23 Ca -0.05 -0.57 -0.17 0.00 -1.21 0.00 0.00 61.69 59.69 3ktw s THR 23 Cb 0.16 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 3ktw s THR 23 CO 0.70 0.25 1.75 0.03 -2.21 0.00 0.00 174.62 175.14 3ktw h ARG 24 N 5.76 0.23 -0.47 7.08 3.08 -1.82 0.33 114.38 128.57 3ktw h ARG 24 Ca -0.33 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.84 3ktw h ARG 24 Cb 1.17 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3ktw h ARG 24 CO 0.49 0.15 0.47 0.66 -1.07 0.00 0.00 179.97 180.67 3ktw h SER 25 N 0.23 0.00 1.00 7.04 4.64 -1.96 0.85 113.55 125.35 3ktw h SER 25 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3ktw h SER 25 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ktw h SER 25 CO -0.15 0.00 -0.58 0.50 -0.87 0.00 0.00 176.83 175.73 3ktw h LYS 26 N 0.00 0.00 0.00 4.77 1.63 -0.81 -3.47 116.57 118.68 3ktw h LYS 26 Ca 0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3ktw h LYS 26 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3ktw h LYS 26 CO -0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 3ktw n GLY 27 N 1.30 0.71 3.75 5.01 0.00 0.29 -4.83 105.19 111.42 3ktw n GLY 27 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3ktw n GLY 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ktw n ARG 28 N 0.00 2.50 0.00 1.61 0.63 -1.19 -4.07 116.66 116.14 3ktw n ARG 28 Ca 0.00 0.88 0.04 0.00 -0.92 0.00 0.00 57.85 57.84 3ktw n ARG 28 Cb 0.00 -2.57 0.01 0.00 0.45 0.00 0.00 32.46 30.35 3ktw n ARG 28 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3ktw n ARG 29 N 0.63 1.55 -4.18 -0.14 1.74 -0.15 -4.46 116.66 111.65 3ktw n ARG 29 Ca 0.03 -0.64 -0.11 0.00 -0.77 0.00 0.00 57.85 56.35 3ktw n ARG 29 Cb 0.38 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 3ktw n ARG 29 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ktw s LEU 30 N -1.16 1.22 0.39 0.55 1.02 -1.26 -5.12 118.68 114.33 3ktw s LEU 30 Ca 0.07 -1.34 -0.18 0.00 0.02 0.00 0.00 54.13 52.70 3ktw s LEU 30 Cb 0.06 0.43 -0.14 0.00 0.02 0.00 0.00 46.19 46.56 3ktw s LEU 30 CO 0.15 -0.83 0.01 0.00 0.02 0.00 0.00 176.35 175.69 3ktw n ALA 31 N -0.24 -2.86 -1.77 4.21 0.00 -1.26 -4.82 120.51 113.77 3ktw n ALA 31 Ca 0.01 0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 3ktw n ALA 31 Cb 0.65 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3ktw n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ktw s ARG 32 N -0.90 3.78 -0.51 0.00 1.81 -1.26 -4.98 118.95 116.89 3ktw s ARG 32 Ca 0.52 2.23 -0.19 0.00 -1.72 0.00 0.00 55.73 56.57 3ktw s ARG 32 Cb -0.53 -2.65 0.06 0.00 -0.45 0.00 0.00 34.95 31.39 3ktw s ARG 32 CO 0.57 -0.67 0.61 0.42 -0.68 0.00 0.00 175.30 175.55 3ktw s ILE 33 N -1.26 4.91 0.00 1.52 1.09 -1.26 -4.99 121.20 121.20 3ktw s ILE 33 Ca 0.60 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 3ktw s ILE 33 Cb -0.40 -4.30 0.00 0.00 -1.06 0.00 0.00 42.46 36.70 3ktw s ILE 33 CO 0.50 -0.82 0.69 -2.65 -0.10 0.00 0.00 174.94 172.56 3ktw n PRO 34 N 6.08 0.00 -0.95 2.79 -0.02 -1.26 -4.56 135.00 137.08 3ktw n PRO 34 Ca -0.07 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.73 3ktw n PRO 34 Cb 0.45 -1.18 0.05 0.00 -0.02 0.00 0.00 33.50 32.81 3ktw n PRO 34 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ktw n TYR 35 N -1.80 -2.76 -4.21 6.00 4.01 -1.26 -4.97 117.16 112.18 3ktw n TYR 35 Ca 0.00 0.33 -0.34 0.00 -0.16 0.00 0.00 57.90 57.73 3ktw n TYR 35 Cb 0.00 -1.45 -0.08 0.00 -0.31 0.00 0.00 39.34 37.50 3ktw n TYR 35 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3ktw s LYS 36 N -2.27 3.01 -0.06 -0.72 2.47 -1.26 -5.11 119.74 115.80 3ktw s LYS 36 Ca 0.41 -0.45 0.04 0.00 -1.56 0.00 0.00 55.97 54.41 3ktw s LYS 36 Cb -0.04 -2.83 -0.00 0.00 -1.46 0.00 0.00 37.83 33.50 3ktw s LYS 36 CO 0.72 0.67 -0.18 0.42 0.16 0.00 0.00 175.35 177.14 3ktw s ILE 37 N -1.06 1.56 0.45 5.43 1.01 -1.26 -5.14 121.20 122.20 3ktw s ILE 37 Ca 0.18 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 3ktw s ILE 37 Cb -0.12 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 3ktw s ILE 37 CO 0.08 0.45 0.80 -0.75 0.00 0.00 0.00 174.94 175.52 3ktw s LYS 38 N 0.18 3.67 0.00 2.79 2.20 -1.26 -4.98 119.74 122.34 3ktw s LYS 38 Ca -0.08 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 3ktw s LYS 38 Cb -0.14 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 3ktw s LYS 38 CO 0.04 -0.15 0.92 2.41 -0.36 0.00 0.00 175.35 178.21 3ktw n THR 39 N -1.79 0.00 -0.29 3.43 -1.04 -1.26 -2.35 114.28 110.99 3ktw n THR 39 Ca 0.02 1.42 0.10 0.00 -2.04 0.00 0.00 64.05 63.55 3ktw n THR 39 Cb 0.54 -2.24 0.24 0.00 -1.82 0.00 0.00 70.33 67.06 3ktw n THR 39 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3ktw h GLU 40 N 0.00 0.15 -0.69 -2.82 3.07 -2.00 0.79 114.58 113.08 3ktw h GLU 40 Ca 0.00 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 3ktw h GLU 40 Cb 0.00 -0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 27.74 3ktw h GLU 40 CO 0.00 0.10 -0.22 0.93 -1.40 0.00 0.00 179.01 178.42 3ktw h GLU 41 N 0.16 -0.04 0.00 2.33 5.08 -1.93 -1.43 114.58 118.75 3ktw h GLU 41 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 3ktw h GLU 41 Cb 0.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3ktw h GLU 41 CO -0.68 -0.02 0.00 -0.11 -1.00 0.00 0.00 179.01 177.20 3ktw n LEU 42 N -5.47 0.00 -0.00 1.33 7.94 0.27 -2.17 117.00 118.90 3ktw n LEU 42 Ca 0.08 0.51 -0.00 0.00 -1.11 0.00 0.00 56.01 55.49 3ktw n LEU 42 Cb 0.36 -0.01 -0.00 0.00 0.53 0.00 0.00 43.42 44.31 3ktw n LEU 42 CO 0.01 -0.01 0.00 0.52 -1.11 0.00 0.00 177.39 176.80 3ktw n VAL 43 N -0.70 -0.00 -0.31 1.96 0.31 -1.07 0.40 118.33 118.91 3ktw n VAL 43 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3ktw n VAL 43 Cb 0.00 -0.01 0.05 0.00 -0.91 0.00 0.00 33.84 32.97 3ktw n VAL 43 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3ktw n SER 44 N -3.16 -0.48 -0.28 4.52 2.88 -0.55 0.29 113.62 116.83 3ktw n SER 44 Ca 0.00 1.41 -0.05 0.00 -1.33 0.00 0.00 58.87 58.90 3ktw n SER 44 Cb 0.00 -0.34 0.07 0.00 -0.75 0.00 0.00 64.21 63.18 3ktw n SER 44 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3ktw h THR 45 N 0.00 1.22 0.58 2.46 2.02 0.81 -0.26 112.91 119.74 3ktw h THR 45 Ca 0.30 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3ktw h THR 45 Cb 0.51 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3ktw h THR 45 CO -0.81 0.23 -0.49 -0.07 0.37 0.00 0.00 175.52 174.75 3ktw h LEU 46 N 1.07 -1.32 -0.88 2.58 3.38 0.25 -1.23 115.31 119.15 3ktw h LEU 46 Ca 0.28 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.58 3ktw h LEU 46 Cb -0.03 0.42 -0.14 0.00 0.09 0.00 0.00 40.66 41.00 3ktw h LEU 46 CO -0.05 -0.68 0.22 -0.09 0.09 0.00 0.00 178.44 177.93 3ktw h ARG 47 N -1.05 0.19 -0.12 1.13 2.43 -1.07 0.28 114.38 116.17 3ktw h ARG 47 Ca -0.07 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3ktw h ARG 47 Cb 0.89 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3ktw h ARG 47 CO -0.02 0.13 0.13 1.49 -1.51 0.00 0.00 179.97 180.19 3ktw h GLU 48 N 0.20 0.00 -0.65 0.20 4.81 0.13 1.25 114.58 120.52 3ktw h GLU 48 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 3ktw h GLU 48 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3ktw h GLU 48 CO -0.66 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 178.90 3ktw n LEU 49 N -3.88 4.89 -3.85 1.64 4.77 0.93 -4.92 117.00 116.58 3ktw n LEU 49 Ca -0.00 -2.47 -0.24 0.00 -0.03 0.00 0.00 56.01 53.27 3ktw n LEU 49 Cb 0.23 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3ktw n LEU 49 CO 0.28 0.76 -0.16 0.61 -1.33 0.00 0.00 177.39 177.56 3ktw n GLY 50 N 1.05 -0.26 0.94 -0.72 0.00 0.43 -4.84 105.19 101.79 3ktw n GLY 50 Ca 0.26 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.54 3ktw n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktw n LEU 51 N -4.35 2.89 -3.97 0.99 4.77 -0.91 -4.95 117.00 111.47 3ktw n LEU 51 Ca -0.29 -1.10 -0.40 0.00 -0.03 0.00 0.00 56.01 54.19 3ktw n LEU 51 Cb 0.68 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3ktw n LEU 51 CO 0.72 0.55 -0.17 -0.67 -1.33 0.00 0.00 177.39 176.49 3ktw n ASP 52 N 1.19 -4.46 -4.73 -1.43 2.03 -1.26 -3.18 116.55 104.71 3ktw n ASP 52 Ca 0.17 -1.19 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 3ktw n ASP 52 Cb 0.55 -1.85 -0.03 0.00 -0.72 0.00 0.00 41.12 39.08 3ktw n ASP 52 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3ktw s PRO 53 N -6.67 4.27 -0.05 -0.67 0.04 -1.26 -4.77 135.00 125.88 3ktw s PRO 53 Ca 0.37 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.72 3ktw s PRO 53 Cb -0.20 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3ktw s PRO 53 CO 0.94 -0.49 -0.22 0.96 0.04 0.00 0.00 177.00 178.23 3ktw s ILE 54 N 0.79 1.78 0.34 0.56 -4.36 -1.00 -4.98 121.20 114.33 3ktw s ILE 54 Ca 0.65 -0.92 -0.02 0.00 -0.26 0.00 0.00 60.65 60.10 3ktw s ILE 54 Cb -0.41 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 3ktw s ILE 54 CO 0.34 0.50 0.58 -0.69 0.24 0.00 0.00 174.94 175.91 3ktw s VAL 55 N -0.12 5.05 -0.30 8.37 1.01 -1.26 -0.69 120.40 132.46 3ktw s VAL 55 Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 3ktw s VAL 55 Cb -0.12 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.54 3ktw s VAL 55 CO 0.03 -0.51 0.08 -0.63 0.00 0.00 0.00 175.10 174.07 3ktw s ILE 56 N -2.28 1.02 1.01 2.22 1.01 0.33 -4.87 121.20 119.63 3ktw s ILE 56 Ca 0.42 -1.42 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 3ktw s ILE 56 Cb -0.10 -1.72 0.19 0.00 0.01 0.00 0.00 42.46 40.84 3ktw s ILE 56 CO 0.35 -0.61 1.11 -1.61 0.00 0.00 0.00 174.94 174.19 3ktw s GLU 57 N 1.56 0.34 -1.09 2.79 0.41 -1.26 -1.43 118.70 120.02 3ktw s GLU 57 Ca 0.08 0.33 -0.06 0.00 -0.41 0.00 0.00 54.97 54.92 3ktw s GLU 57 Cb -0.17 -1.74 0.01 0.00 -1.78 0.00 0.00 34.13 30.44 3ktw s GLU 57 CO -0.21 -2.75 0.94 -1.71 -0.49 0.00 0.00 175.26 171.04 3ktw n ASN 58 N -4.16 -4.73 -3.58 -0.19 4.05 -0.64 -4.90 115.26 101.10 3ktw n ASN 58 Ca 0.07 -0.46 -0.19 0.00 0.45 0.00 0.00 54.58 54.44 3ktw n ASN 58 Cb 0.58 -4.26 -0.15 0.00 1.23 0.00 0.00 39.78 37.19 3ktw n ASN 58 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3ktw s LYS 59 N -5.85 0.10 -0.33 1.20 1.02 1.76 -4.98 119.74 112.66 3ktw s LYS 59 Ca 0.36 0.28 -0.12 0.00 0.02 0.00 0.00 55.97 56.51 3ktw s LYS 59 Cb -0.16 -0.99 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 3ktw s LYS 59 CO 0.60 -0.53 0.21 0.15 -0.92 0.00 0.00 175.35 174.86 3ktw s LYS 60 N 2.27 3.44 0.32 1.68 1.02 -1.25 -2.07 119.74 125.15 3ktw s LYS 60 Ca 0.04 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 3ktw s LYS 60 Cb -0.14 -3.72 -0.12 0.00 -0.52 0.00 0.00 37.83 33.33 3ktw s LYS 60 CO -0.09 -0.43 1.52 0.98 -0.92 0.00 0.00 175.35 176.41 3ktw n TYR 61 N 5.06 2.79 0.17 3.18 9.36 -1.08 -4.88 117.16 131.76 3ktw n TYR 61 Ca -0.13 0.35 0.04 0.00 3.32 0.00 0.00 57.90 61.48 3ktw n TYR 61 Cb 0.49 -2.55 0.24 0.00 -0.63 0.00 0.00 39.34 36.89 3ktw n TYR 61 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3ktw h PRO 62 N 3.98 0.00 0.00 2.98 0.11 -1.97 -1.72 132.00 135.38 3ktw h PRO 62 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ktw h PRO 62 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ktw h PRO 62 CO 0.73 0.45 -0.04 0.00 -0.21 0.00 0.00 178.00 178.93 3ktw h ARG 63 N 0.00 0.00 -1.44 1.05 3.08 -1.90 -3.38 114.38 111.79 3ktw h ARG 63 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3ktw h ARG 63 Cb 1.06 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.86 3ktw h ARG 63 CO 0.06 0.00 -0.51 0.34 -1.07 0.00 0.00 179.97 178.79 3ktw s ASP 64 N -4.68 -0.33 0.00 7.04 -1.08 -1.17 -4.96 116.67 111.48 3ktw s ASP 64 Ca 0.10 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 3ktw s ASP 64 Cb 0.12 1.40 0.00 0.00 -1.46 0.00 0.00 42.92 42.97 3ktw s ASP 64 CO 0.61 -0.28 0.37 0.54 0.52 0.00 0.00 175.17 176.93 3ktw n ARG 65 N 4.94 0.00 -0.05 4.34 3.00 -0.66 -1.86 116.66 126.36 3ktw n ARG 65 Ca 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.88 3ktw n ARG 65 Cb 0.51 -1.37 0.25 0.00 0.00 0.00 0.00 32.46 31.84 3ktw n ARG 65 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3ktw h LYS 66 N 0.00 0.65 -5.47 5.56 3.64 -1.93 -3.40 116.57 115.61 3ktw h LYS 66 Ca 0.00 -0.14 -0.63 0.00 -1.27 0.00 0.00 60.65 58.61 3ktw h LYS 66 Cb 0.00 -0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 31.59 3ktw h LYS 66 CO 0.00 0.65 0.13 0.42 -2.27 0.00 0.00 179.45 178.38 3ktw s ILE 67 N -5.03 4.90 -1.49 2.00 -1.09 -0.78 -4.92 121.20 114.79 3ktw s ILE 67 Ca -0.08 0.61 0.25 0.00 -2.23 0.00 0.00 60.65 59.20 3ktw s ILE 67 Cb 0.15 -4.06 0.11 0.00 -1.58 0.00 0.00 42.46 37.09 3ktw s ILE 67 CO 0.78 -0.28 1.40 -0.46 -1.23 0.00 0.00 174.94 175.15 3ktw n ASN 68 N 6.00 0.98 -4.77 3.58 6.94 -1.25 -2.63 115.26 124.12 3ktw n ASN 68 Ca -0.01 -0.78 -0.32 0.00 -0.02 0.00 0.00 54.58 53.45 3ktw n ASN 68 Cb 0.49 0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 38.12 3ktw n ASN 68 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3ktw s PHE 69 N -2.70 1.91 -0.28 -2.53 -0.12 -0.88 0.48 117.98 113.86 3ktw s PHE 69 Ca 0.18 -0.91 -0.20 0.00 -0.05 0.00 0.00 56.93 55.95 3ktw s PHE 69 Cb 0.18 -1.67 0.11 0.00 -0.63 0.00 0.00 43.02 41.01 3ktw s PHE 69 CO 0.61 0.16 0.88 -1.17 -0.05 0.00 0.00 175.22 175.65 3ktw s LEU 70 N -3.91 -0.64 -0.16 -1.99 0.20 -0.51 -4.78 118.68 106.88 3ktw s LEU 70 Ca 0.13 1.12 -0.06 0.00 0.69 0.00 0.00 54.13 56.00 3ktw s LEU 70 Cb 0.02 2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 47.81 3ktw s LEU 70 CO 0.07 -0.18 0.05 -0.63 -0.29 0.00 0.00 176.35 175.36 3ktw s ILE 71 N 0.93 4.66 -0.18 6.68 1.01 -0.53 0.12 121.20 133.89 3ktw s ILE 71 Ca -0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 3ktw s ILE 71 Cb -0.05 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3ktw s ILE 71 CO -0.11 0.50 0.34 0.00 0.00 0.00 0.00 174.94 175.68 3ktw s ALA 72 N 0.05 3.57 0.11 9.38 0.00 0.13 -0.53 121.76 134.47 3ktw s ALA 72 Ca 0.05 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3ktw s ALA 72 Cb -0.12 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3ktw s ALA 72 CO 0.01 -0.10 -0.09 0.08 0.00 0.00 0.00 175.76 175.65 3ktw s VAL 73 N 0.88 0.95 0.08 0.00 1.01 -0.55 -2.36 120.40 120.42 3ktw s VAL 73 Ca 0.18 -1.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.06 3ktw s VAL 73 Cb -0.14 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 3ktw s VAL 73 CO 0.06 -0.69 0.80 -0.54 0.00 0.00 0.00 175.10 174.73 3ktw s LYS 74 N -3.33 4.54 0.27 2.72 1.02 -1.19 0.13 119.74 123.90 3ktw s LYS 74 Ca 0.10 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 3ktw s LYS 74 Cb 0.01 -3.34 -0.11 0.00 -0.52 0.00 0.00 37.83 33.86 3ktw s LYS 74 CO -0.01 0.34 1.58 0.15 -0.92 0.00 0.00 175.35 176.50 3ktw s LYS 75 N -0.31 4.15 -0.06 1.68 1.02 0.19 -4.85 119.74 121.56 3ktw s LYS 75 Ca 0.39 2.53 -0.01 0.00 0.02 0.00 0.00 55.97 58.89 3ktw s LYS 75 Cb -0.22 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 3ktw s LYS 75 CO 0.25 -0.61 0.08 0.28 -0.92 0.00 0.00 175.35 174.42 3ktw h VAL 76 N 3.50 0.00 0.00 3.17 2.07 -1.94 -3.47 116.25 119.58 3ktw h VAL 76 Ca -0.46 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3ktw h VAL 76 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3ktw h VAL 76 CO 0.82 0.00 -0.74 1.17 0.02 0.00 0.00 177.57 178.84 3ktw n LYS 77 N -3.94 0.00 -3.78 1.57 4.81 -1.26 -5.05 118.16 110.52 3ktw n LYS 77 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3ktw n LYS 77 Cb 0.02 -0.40 -0.10 0.00 0.02 0.00 0.00 35.03 34.57 3ktw n LYS 77 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3ktw s SER 78 N -4.91 -0.21 0.28 3.14 1.04 -1.26 -4.99 113.70 106.79 3ktw s SER 78 Ca 0.00 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3ktw s SER 78 Cb 0.00 0.41 0.68 0.00 0.10 0.00 0.00 66.02 67.21 3ktw s SER 78 CO 0.00 -0.32 1.45 1.17 0.98 0.00 0.00 173.24 176.52 3ktw n LYS 79 N 1.88 -0.07 0.00 4.02 4.81 -1.26 -0.59 118.16 126.94 3ktw n LYS 79 Ca -0.19 1.39 0.00 0.00 -0.87 0.00 0.00 58.31 58.64 3ktw n LYS 79 Cb 0.57 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3ktw n LYS 79 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3ktw n ASN 80 N -5.37 0.00 -0.35 3.14 5.15 -1.26 -0.84 115.26 115.72 3ktw n ASN 80 Ca 0.21 0.93 0.14 0.00 -0.60 0.00 0.00 54.58 55.27 3ktw n ASN 80 Cb 0.69 -0.43 0.29 0.00 -0.53 0.00 0.00 39.78 39.79 3ktw n ASN 80 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3ktw h TYR 81 N 0.00 -0.09 -0.06 1.20 5.03 -1.49 0.20 116.97 121.76 3ktw h TYR 81 Ca 0.00 0.07 0.04 0.00 2.58 0.00 0.00 58.73 61.42 3ktw h TYR 81 Cb 0.00 0.20 -0.05 0.00 1.55 0.00 0.00 36.73 38.43 3ktw h TYR 81 CO -0.20 -0.45 -0.26 1.15 -1.32 0.00 0.00 178.16 177.08 3ktw h THR 82 N 0.00 0.40 0.84 1.81 2.02 -0.05 -0.71 112.91 117.22 3ktw h THR 82 Ca 0.60 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.74 3ktw h THR 82 Cb 1.22 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3ktw h THR 82 CO -0.95 0.00 -0.50 -0.07 0.37 0.00 0.00 175.52 174.38 3ktw h LEU 83 N -0.37 -1.25 -0.85 2.58 3.38 0.14 0.10 115.31 119.04 3ktw h LEU 83 Ca 0.08 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3ktw h LEU 83 Cb 0.48 0.36 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 3ktw h LEU 83 CO -0.27 -0.78 -0.50 0.29 0.09 0.00 0.00 178.44 177.27 3ktw n LYS 84 N -5.64 -0.37 -0.22 1.13 5.02 -0.67 0.30 118.16 117.70 3ktw n LYS 84 Ca -0.15 1.34 0.03 0.00 -2.02 0.00 0.00 58.31 57.50 3ktw n LYS 84 Cb 0.51 -1.97 0.13 0.00 -0.02 0.00 0.00 35.03 33.68 3ktw n LYS 84 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3ktw h ILE 85 N 0.00 0.48 0.64 -0.18 1.08 -0.56 0.66 117.51 119.64 3ktw h ILE 85 Ca 0.14 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 3ktw h ILE 85 Cb 0.35 0.31 0.01 0.00 -3.07 0.00 0.00 36.82 34.42 3ktw h ILE 85 CO -0.80 0.03 -0.31 0.40 -0.69 0.00 0.00 178.15 176.78 3ktw h ILE 86 N 0.16 0.23 -0.06 -0.67 2.04 0.19 -1.31 117.51 118.08 3ktw h ILE 86 Ca 0.36 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3ktw h ILE 86 Cb 0.59 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3ktw h ILE 86 CO -0.54 0.03 -0.15 -0.74 0.00 0.00 0.00 178.15 176.75 3ktw h HIS 87 N -1.08 -0.46 -0.97 1.37 2.76 0.95 0.39 115.15 118.11 3ktw h HIS 87 Ca -0.09 0.02 0.41 0.00 -2.20 0.00 0.00 60.37 58.51 3ktw h HIS 87 Cb 0.70 0.21 -0.18 0.00 1.55 0.00 0.00 27.41 29.69 3ktw h HIS 87 CO -0.00 -0.15 0.53 -1.71 -1.30 0.00 0.00 177.93 175.30 3ktw n ASN 88 N -3.39 0.34 -0.09 3.26 4.05 0.22 0.15 115.26 119.80 3ktw n ASN 88 Ca -0.01 1.62 -0.14 0.00 0.45 0.00 0.00 54.58 56.49 3ktw n ASN 88 Cb 0.10 -0.79 -0.04 0.00 1.23 0.00 0.00 39.78 40.28 3ktw n ASN 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3ktw h ALA 89 N 1.95 0.43 -0.46 5.20 0.00 0.49 -3.16 119.26 123.71 3ktw h ALA 89 Ca 0.83 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 55.36 3ktw h ALA 89 Cb 2.19 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.84 3ktw h ALA 89 CO -0.75 0.52 0.13 -0.07 0.00 0.00 0.00 179.25 179.08 3ktw h LEU 90 N 0.52 0.09 -6.20 0.00 3.38 0.53 -2.33 115.31 111.29 3ktw h LEU 90 Ca 0.03 0.07 -0.48 0.00 0.09 0.00 0.00 57.88 57.59 3ktw h LEU 90 Cb 0.96 0.07 0.05 0.00 0.09 0.00 0.00 40.66 41.84 3ktw h LEU 90 CO 0.09 0.08 2.08 0.23 0.09 0.00 0.00 178.44 181.01 3ktw n MET 91 N -5.06 1.25 -2.24 1.13 2.81 -0.60 -4.62 117.12 109.79 3ktw n MET 91 Ca 0.04 -1.43 -0.39 0.00 -1.81 0.00 0.00 57.70 54.10 3ktw n MET 91 Cb 0.20 -2.60 0.01 0.00 -0.71 0.00 0.00 33.22 30.11 3ktw n MET 91 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ktw n GLY 92 N 4.32 5.60 2.73 3.03 0.00 -0.88 -4.97 105.19 115.02 3ktw n GLY 92 Ca 0.42 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3ktw n GLY 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73