#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.03 -0.33 1.09 5.08 -2.05 -0.50 114.58 117.90 2k0f h GLU 2 Ca 0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 2 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2k0f h GLU 2 CO 0.00 0.03 -0.37 0.93 -1.00 0.00 0.00 179.01 178.61 2k0f h GLU 3 N 0.03 0.75 -0.00 2.33 5.08 -2.05 -1.61 114.58 119.11 2k0f h GLU 3 Ca 0.01 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 3 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k0f h GLU 3 CO -0.00 1.00 -0.03 1.96 -1.00 0.00 0.00 179.01 180.93 2k0f h GLN 4 N 0.63 0.03 -0.96 2.33 7.50 -1.57 -3.14 115.11 119.93 2k0f h GLN 4 Ca 0.06 -0.03 0.25 0.00 0.50 0.00 0.00 58.65 59.43 2k0f h GLN 4 Cb 0.91 0.01 -0.18 0.00 0.05 0.00 0.00 27.48 28.27 2k0f h GLN 4 CO 0.08 0.72 -0.04 -0.89 -1.50 0.00 0.00 178.83 177.20 2k0f n ILE 5 N -4.72 -0.40 0.29 2.54 2.08 -0.65 -0.61 119.36 117.89 2k0f n ILE 5 Ca -0.09 2.12 0.15 0.00 0.56 0.00 0.00 62.75 65.50 2k0f n ILE 5 Cb 0.36 -3.06 0.51 0.00 -0.75 0.00 0.00 39.64 36.70 2k0f n ILE 5 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k0f h ALA 6 N 1.91 1.00 -0.19 -1.39 0.00 -1.34 -1.82 119.26 117.43 2k0f h ALA 6 Ca 0.55 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 2k0f h ALA 6 Cb 1.08 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 6 CO -0.92 0.00 -0.58 1.49 0.00 0.00 0.00 179.25 179.24 2k0f h GLU 7 N 0.00 0.72 0.18 0.00 4.81 -0.81 0.48 114.58 119.96 2k0f h GLU 7 Ca 0.00 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2k0f h GLU 7 Cb 0.65 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2k0f h GLU 7 CO 0.00 1.15 -0.08 0.74 -0.73 0.00 0.00 179.01 180.08 2k0f h PHE 8 N 0.43 -0.22 -0.96 0.92 -1.00 -1.13 -3.21 116.94 111.77 2k0f h PHE 8 Ca -0.02 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.81 2k0f h PHE 8 Cb 1.20 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.77 2k0f h PHE 8 CO 0.09 0.20 0.62 -0.22 -1.61 0.00 0.00 178.31 177.39 2k0f h LYS 9 N -0.79 1.12 0.00 1.51 3.64 -1.34 0.48 116.57 121.19 2k0f h LYS 9 Ca -0.02 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2k0f h LYS 9 Cb 0.52 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2k0f h LYS 9 CO 0.04 0.74 -0.42 0.93 -2.27 0.00 0.00 179.45 178.47 2k0f h GLU 10 N 1.15 0.00 0.01 1.90 5.08 -1.04 -0.65 114.58 121.03 2k0f h GLU 10 Ca 0.40 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.56 2k0f h GLU 10 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 10 CO -0.15 0.42 -0.88 0.00 -1.00 0.00 0.00 179.01 177.40 2k0f h ALA 11 N 1.58 0.52 -0.47 3.43 0.00 -1.43 -2.87 119.26 120.03 2k0f h ALA 11 Ca -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 11 Cb 1.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 11 CO 0.05 0.94 0.08 0.35 0.00 0.00 0.00 179.25 180.67 2k0f h PHE 12 N 0.09 0.75 0.00 0.00 3.57 -0.71 -2.54 116.94 118.10 2k0f h PHE 12 Ca -0.04 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 12 Cb 1.52 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2k0f h PHE 12 CO 0.02 0.66 -0.06 0.77 -2.23 0.00 0.00 178.31 177.48 2k0f h SER 13 N 0.70 0.00 -0.49 0.41 0.02 -0.90 0.29 113.55 113.57 2k0f h SER 13 Ca 0.15 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 2k0f h SER 13 Cb 0.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2k0f h SER 13 CO 0.00 0.06 0.01 0.25 -1.14 0.00 0.00 176.83 176.01 2k0f h LEU 14 N 0.00 0.89 0.11 5.07 5.85 -1.34 -3.34 115.31 122.55 2k0f h LEU 14 Ca -0.00 -0.23 -0.37 0.00 0.84 0.00 0.00 57.88 58.12 2k0f h LEU 14 Cb 0.42 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k0f h LEU 14 CO 0.01 0.94 -2.06 0.49 -0.34 0.00 0.00 178.44 177.48 2k0f n PHE 15 N -4.20 1.09 -2.67 1.25 3.72 -0.73 -4.66 117.46 111.25 2k0f n PHE 15 Ca 0.03 0.23 -0.42 0.00 -0.05 0.00 0.00 57.45 57.24 2k0f n PHE 15 Cb 0.32 -1.14 -0.03 0.00 -0.94 0.00 0.00 39.48 37.68 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -6.97 6.18 0.15 4.37 2.15 0.93 -4.54 116.67 118.94 2k0f s ASP 16 Ca -0.24 -0.70 -0.12 0.00 0.43 0.00 0.00 52.55 51.91 2k0f s ASP 16 Cb 0.07 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 2k0f s ASP 16 CO 0.74 -1.67 1.60 0.11 -0.17 0.00 0.00 175.17 175.78 2k0f h LYS 17 N 9.83 0.89 0.02 4.34 1.79 -1.83 -3.30 116.57 128.32 2k0f h LYS 17 Ca -0.27 -0.30 -0.38 0.00 -2.18 0.00 0.00 60.65 57.53 2k0f h LYS 17 Cb 1.06 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.57 2k0f h LYS 17 CO 1.24 0.94 -2.35 -0.40 -1.08 0.00 0.00 179.45 177.80 2k0f n ASP 18 N -4.30 1.73 0.00 0.86 5.75 -1.26 -5.05 116.55 114.27 2k0f n ASP 18 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2k0f n ASP 18 Cb 0.33 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 19 N 2.12 0.87 0.13 6.12 0.00 -1.24 -5.04 105.19 108.16 2k0f n GLY 19 Ca -0.41 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 2.07 0.00 1.61 5.75 -1.26 -4.97 116.55 119.75 2k0f n ASP 20 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2k0f n ASP 20 Cb 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.98 0.96 3.22 6.12 0.00 -1.26 -5.07 105.19 111.15 2k0f n GLY 21 Ca -0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -1.77 2.40 -0.49 2.61 -4.23 -1.26 -2.09 115.64 110.81 2k0f s THR 22 Ca 0.00 -0.86 -0.22 0.00 -1.18 0.00 0.00 61.69 59.43 2k0f s THR 22 Cb 0.00 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.88 2k0f s THR 22 CO 0.00 0.53 0.77 -0.63 -0.54 0.00 0.00 174.62 174.75 2k0f s ILE 23 N 0.82 4.65 0.74 2.99 1.01 -0.99 -4.61 121.20 125.82 2k0f s ILE 23 Ca -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 2k0f s ILE 23 Cb -0.15 -4.36 0.14 0.00 0.01 0.00 0.00 42.46 38.09 2k0f s ILE 23 CO -0.01 -0.84 1.02 0.42 0.00 0.00 0.00 174.94 175.53 2k0f s THR 24 N 3.25 2.07 0.12 2.92 -4.23 -1.26 -3.68 115.64 114.84 2k0f s THR 24 Ca 0.25 -0.59 -0.19 0.00 -1.18 0.00 0.00 61.69 59.99 2k0f s THR 24 Cb -0.14 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 2k0f s THR 24 CO 0.18 0.00 1.74 0.71 -0.54 0.00 0.00 174.62 176.71 2k0f h THR 25 N -0.60 1.10 0.00 3.99 1.35 -1.90 -1.44 112.91 115.42 2k0f h THR 25 Ca -0.36 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2k0f h THR 25 Cb 1.26 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2k0f h THR 25 CO 0.38 0.10 -0.04 0.07 -0.25 0.00 0.00 175.52 175.79 2k0f h LYS 26 N 0.32 0.00 0.07 4.72 2.10 -1.97 -0.68 116.57 121.12 2k0f h LYS 26 Ca 0.09 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.59 2k0f h LYS 26 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2k0f h LYS 26 CO -0.02 0.04 -0.75 0.93 -2.00 0.00 0.00 179.45 177.66 2k0f h GLU 27 N 0.00 0.14 -0.55 0.07 5.08 -1.86 -1.20 114.58 116.27 2k0f h GLU 27 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 27 Cb 0.51 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2k0f h GLU 27 CO 0.01 1.12 0.35 1.25 -1.00 0.00 0.00 179.01 180.73 2k0f h LEU 28 N -0.65 0.64 -0.45 1.33 5.85 -1.36 -2.77 115.31 117.91 2k0f h LEU 28 Ca -0.16 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 28 Cb 1.41 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 2k0f h LEU 28 CO 0.03 0.49 -0.22 1.23 -0.34 0.00 0.00 178.44 179.63 2k0f h GLY 29 N 0.74 0.09 2.00 3.75 0.00 -1.14 0.14 103.07 108.65 2k0f h GLY 29 Ca 0.20 0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.72 2k0f h GLY 29 CO -0.04 -0.21 -0.42 0.00 0.00 0.00 0.00 176.54 175.88 2k0f h THR 30 N -0.12 0.99 0.51 4.70 1.03 -1.21 -2.67 112.91 116.13 2k0f h THR 30 Ca 0.21 -1.62 -0.02 0.00 -0.01 0.00 0.00 66.41 64.97 2k0f h THR 30 Cb 0.46 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 2k0f h THR 30 CO -0.53 0.41 -0.24 0.58 -0.01 0.00 0.00 175.52 175.73 2k0f h VAL 31 N 0.00 0.45 -0.09 0.00 2.07 -1.24 -3.35 116.25 114.09 2k0f h VAL 31 Ca -0.00 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2k0f h VAL 31 Cb 0.92 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2k0f h VAL 31 CO 0.05 0.04 -0.23 -0.03 0.02 0.00 0.00 177.57 177.42 2k0f h MET 32 N -0.86 -0.31 -1.00 1.57 -1.53 -0.53 -2.35 114.93 109.92 2k0f h MET 32 Ca -0.07 0.02 0.10 0.00 -3.44 0.00 0.00 59.70 56.31 2k0f h MET 32 Cb 0.59 0.07 -0.08 0.00 -0.55 0.00 0.00 31.60 31.63 2k0f h MET 32 CO 0.11 -0.20 0.64 0.00 0.14 0.00 0.00 176.91 177.60 2k0f h ARG 33 N -0.32 1.02 0.00 0.39 3.08 -1.36 -0.30 114.38 116.90 2k0f h ARG 33 Ca 0.09 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 33 Cb 0.45 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2k0f h ARG 33 CO -0.27 0.68 -0.40 0.77 -1.07 0.00 0.00 179.97 179.67 2k0f h SER 34 N 1.05 0.00 0.00 7.04 0.02 -1.62 -3.19 113.55 116.85 2k0f h SER 34 Ca 0.47 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.36 2k0f h SER 34 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2k0f h SER 34 CO -0.23 0.40 -0.38 0.25 -1.14 0.00 0.00 176.83 175.74 2k0f h LEU 35 N 0.00 0.00 0.00 5.07 5.85 -0.73 -3.44 115.31 122.06 2k0f h LEU 35 Ca -0.00 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.07 2k0f h LEU 35 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2k0f h LEU 35 CO 0.05 1.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.80 2k0f n GLY 36 N 1.59 -1.86 3.81 3.75 0.00 -0.24 -5.00 105.19 107.24 2k0f n GLY 36 Ca -0.14 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N -0.46 3.96 -0.61 1.61 -1.52 -1.18 -4.90 119.66 116.56 2k0f s GLN 37 Ca 0.00 0.27 -0.01 0.00 -1.95 0.00 0.00 55.36 53.66 2k0f s GLN 37 Cb 0.00 -3.28 0.16 0.00 -0.22 0.00 0.00 33.01 29.67 2k0f s GLN 37 CO 0.00 0.55 0.42 1.21 -0.25 0.00 0.00 175.29 177.22 2k0f s ASN 38 N -0.57 5.06 0.99 5.90 3.84 -1.26 -2.93 114.94 125.97 2k0f s ASN 38 Ca 0.21 -2.92 -0.15 0.00 0.21 0.00 0.00 52.86 50.21 2k0f s ASN 38 Cb -0.15 -1.81 0.21 0.00 -0.55 0.00 0.00 41.25 38.94 2k0f s ASN 38 CO 0.10 -0.33 1.24 -0.81 -2.79 0.00 0.00 177.10 174.50 2k0f n PRO 39 N 3.36 -1.18 -2.11 0.43 -0.04 -1.26 -5.08 135.00 129.12 2k0f n PRO 39 Ca 0.08 -1.95 -0.32 0.00 -0.04 0.00 0.00 63.50 61.26 2k0f n PRO 39 Cb 0.37 -1.26 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -3.70 4.16 0.14 0.52 -4.23 -1.26 -4.92 115.64 106.34 2k0f s THR 40 Ca 0.70 0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 62.05 2k0f s THR 40 Cb -0.02 -3.54 -0.00 0.00 1.34 0.00 0.00 72.50 70.28 2k0f s THR 40 CO 0.49 -0.66 1.59 -0.33 -0.54 0.00 0.00 174.62 175.17 2k0f h GLU 41 N 0.43 0.79 -0.59 3.99 4.39 -1.98 -1.71 114.58 119.89 2k0f h GLU 41 Ca -0.46 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.02 2k0f h GLU 41 Cb 1.20 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 2k0f h GLU 41 CO 0.59 0.85 0.35 0.00 -1.16 0.00 0.00 179.01 179.64 2k0f h ALA 42 N 0.91 0.77 0.03 3.43 0.00 -2.00 -2.48 119.26 119.92 2k0f h ALA 42 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 42 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k0f h ALA 42 CO 0.02 0.08 -1.00 1.49 0.00 0.00 0.00 179.25 179.84 2k0f h GLU 43 N 0.69 0.14 0.00 0.00 4.81 -1.90 -2.69 114.58 115.63 2k0f h GLU 43 Ca 0.24 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 43 Cb 0.04 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2k0f h GLU 43 CO -0.11 1.02 -0.01 1.25 -0.73 0.00 0.00 179.01 180.43 2k0f h LEU 44 N 0.06 0.00 0.21 1.64 5.85 -1.17 0.23 115.31 122.13 2k0f h LEU 44 Ca -0.05 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.33 2k0f h LEU 44 Cb 1.69 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.74 2k0f h LEU 44 CO 0.15 0.01 -1.59 -0.61 -0.34 0.00 0.00 178.44 176.06 2k0f h GLN 45 N 0.00 0.44 0.00 1.25 4.15 -1.40 -3.30 115.11 116.25 2k0f h GLN 45 Ca -0.00 -0.75 -0.07 0.00 0.77 0.00 0.00 58.65 58.60 2k0f h GLN 45 Cb 0.03 0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2k0f h GLN 45 CO 0.00 1.36 -0.35 0.22 -1.93 0.00 0.00 178.83 178.13 2k0f h ASP 46 N 0.07 0.00 -0.45 -0.69 3.58 -1.06 0.24 116.42 118.11 2k0f h ASP 46 Ca -0.30 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.17 2k0f h ASP 46 Cb 2.08 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 43.10 2k0f h ASP 46 CO 0.20 0.35 0.27 -0.03 -2.88 0.00 0.00 179.24 177.15 2k0f h MET 47 N 0.00 0.53 0.04 0.28 4.05 -0.71 0.24 114.93 119.36 2k0f h MET 47 Ca -0.00 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2k0f h MET 47 Cb 0.72 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2k0f h MET 47 CO 0.04 0.35 -0.02 0.82 0.23 0.00 0.00 176.91 178.33 2k0f h ILE 48 N 0.54 1.28 -1.01 1.77 2.04 -1.48 -3.33 117.51 117.32 2k0f h ILE 48 Ca 0.18 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 65.04 2k0f h ILE 48 Cb 0.00 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 2k0f h ILE 48 CO -0.08 0.27 0.64 -1.13 0.00 0.00 0.00 178.15 177.86 2k0f h ASN 49 N -0.55 0.97 -1.02 1.72 -1.24 -0.47 -0.61 115.58 114.39 2k0f h ASN 49 Ca -0.01 0.03 0.25 0.00 0.71 0.00 0.00 56.30 57.29 2k0f h ASN 49 Cb 0.49 -0.17 -0.10 0.00 0.73 0.00 0.00 38.32 39.28 2k0f h ASN 49 CO 0.01 0.56 0.65 -0.08 -1.29 0.00 0.00 177.43 177.28 2k0f h GLU 50 N 1.07 0.43 -0.01 6.67 4.81 -1.05 -2.83 114.58 123.67 2k0f h GLU 50 Ca 0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 2k0f h GLU 50 Cb 0.37 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 50 CO -0.23 0.29 -0.09 1.33 -0.73 0.00 0.00 179.01 179.57 2k0f n VAL 51 N -4.66 0.00 -2.41 0.32 0.24 -0.35 -4.97 118.33 106.50 2k0f n VAL 51 Ca 0.25 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 2k0f n VAL 51 Cb 0.83 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 34.26 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -0.88 7.08 -0.13 -1.34 2.15 -0.56 -4.94 116.67 118.05 2k0f s ASP 52 Ca 0.06 2.05 -0.11 0.00 0.43 0.00 0.00 52.55 54.97 2k0f s ASP 52 Cb 0.05 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 52 CO 0.13 -0.45 -0.22 0.00 -0.17 0.00 0.00 175.17 174.46 2k0f n ALA 53 N 3.72 0.55 0.27 3.66 0.00 -1.26 -4.42 120.51 123.03 2k0f n ALA 53 Ca 0.08 -0.56 0.15 0.00 0.00 0.00 0.00 53.44 53.12 2k0f n ALA 53 Cb 0.46 0.02 0.68 0.00 0.00 0.00 0.00 19.45 20.61 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -0.80 0.00 -1.00 0.00 3.04 -1.94 -3.47 116.42 112.25 2k0f h ASP 54 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 54 Cb 0.63 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.92 2k0f h ASP 54 CO 0.00 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 2k0f n GLY 55 N -0.15 0.83 0.08 7.15 0.00 -1.26 -4.96 105.19 106.87 2k0f n GLY 55 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.67 0.12 0.00 1.61 6.94 -1.26 -4.99 115.26 118.36 2k0f n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 56 Cb 0.40 1.23 0.00 0.00 -2.36 0.00 0.00 39.78 39.04 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.66 1.01 3.00 4.83 0.00 -1.26 -5.07 105.19 109.35 2k0f n GLY 57 Ca -0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.17 -0.18 2.61 -4.23 -1.26 -4.65 115.64 107.10 2k0f s THR 58 Ca 0.00 -0.46 -0.29 0.00 -1.18 0.00 0.00 61.69 59.76 2k0f s THR 58 Cb 0.00 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2k0f s THR 58 CO 0.00 0.37 1.74 -0.51 -0.54 0.00 0.00 174.62 175.68 2k0f s ILE 59 N 0.98 3.52 0.54 2.99 2.07 -1.24 -4.86 121.20 125.19 2k0f s ILE 59 Ca -0.08 0.59 0.06 0.00 -1.41 0.00 0.00 60.65 59.81 2k0f s ILE 59 Cb -0.15 -3.53 0.06 0.00 0.13 0.00 0.00 42.46 38.97 2k0f s ILE 59 CO -0.00 -0.22 0.74 -1.81 -1.91 0.00 0.00 174.94 171.74 2k0f s ASP 60 N 4.76 5.22 0.21 4.50 1.01 -1.26 -2.33 116.67 128.77 2k0f s ASP 60 Ca 0.77 -0.47 -0.13 0.00 0.71 0.00 0.00 52.55 53.43 2k0f s ASP 60 Cb -0.28 -0.30 0.25 0.00 1.01 0.00 0.00 42.92 43.59 2k0f s ASP 60 CO 0.31 -1.18 1.64 0.15 0.21 0.00 0.00 175.17 176.30 2k0f h PHE 61 N 0.22 -0.25 0.00 4.23 3.57 -1.81 -0.40 116.94 122.49 2k0f h PHE 61 Ca -0.37 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 61 Cb 1.28 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.23 2k0f h PHE 61 CO 0.32 -0.24 0.00 -1.35 -2.23 0.00 0.00 178.31 174.80 2k0f h PRO 62 N 0.03 0.00 0.00 6.41 0.11 -1.95 -0.05 132.00 136.55 2k0f h PRO 62 Ca 0.30 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.29 2k0f h PRO 62 Cb 0.48 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2k0f h PRO 62 CO -0.61 0.00 -1.00 0.93 -0.21 0.00 0.00 178.00 177.11 2k0f h GLU 63 N 0.00 0.00 0.07 1.05 5.08 -1.72 -2.89 114.58 116.18 2k0f h GLU 63 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 63 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 63 CO 0.00 0.34 -0.04 0.35 -1.00 0.00 0.00 179.01 178.67 2k0f h PHE 64 N 0.00 -0.09 -0.97 4.33 3.57 -0.60 -1.88 116.94 121.31 2k0f h PHE 64 Ca -0.08 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 64 Cb 1.45 0.03 -0.14 0.00 2.79 0.00 0.00 35.95 40.08 2k0f h PHE 64 CO 0.00 0.42 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.95 2k0f h LEU 65 N -0.68 -1.76 -0.07 0.59 3.38 -1.14 -2.55 115.31 113.07 2k0f h LEU 65 Ca -0.01 0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2k0f h LEU 65 Cb 0.56 0.84 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 2k0f h LEU 65 CO 0.02 -0.27 -0.27 0.74 0.09 0.00 0.00 178.44 178.75 2k0f h THR 66 N -0.02 0.39 -0.53 0.22 2.02 -1.45 0.39 112.91 113.93 2k0f h THR 66 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 2k0f h THR 66 Cb 0.51 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2k0f h THR 66 CO -0.95 0.00 0.29 -0.03 0.37 0.00 0.00 175.52 175.20 2k0f h MET 67 N -0.37 0.74 0.00 6.66 1.85 -1.01 -3.04 114.93 119.77 2k0f h MET 67 Ca 0.08 -0.09 -0.28 0.00 -0.61 0.00 0.00 59.70 58.80 2k0f h MET 67 Cb 0.49 -0.14 -0.05 0.00 0.43 0.00 0.00 31.60 32.33 2k0f h MET 67 CO -0.28 0.58 -1.61 0.52 -0.40 0.00 0.00 176.91 175.71 2k0f h MET 68 N 0.71 0.00 0.00 0.39 2.86 -1.43 -3.31 114.93 114.15 2k0f h MET 68 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 68 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2k0f h MET 68 CO -0.03 0.56 0.00 0.00 1.06 0.00 0.00 176.91 178.50 2k0f n ALA 69 N -2.53 2.60 -2.30 6.32 0.00 0.14 -4.84 120.51 119.90 2k0f n ALA 69 Ca -0.15 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2k0f n ALA 69 Cb 1.04 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.00 4.27 -0.04 0.00 3.52 -1.15 -5.02 118.95 118.52 2k0f s ARG 70 Ca 0.41 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 2k0f s ARG 70 Cb 0.19 -3.68 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 2k0f s ARG 70 CO 0.31 -0.62 -0.02 0.15 -0.81 0.00 0.00 175.30 174.31 2k0f s LYS 71 N 2.88 0.59 0.00 5.12 1.02 -1.26 -5.05 119.74 123.04 2k0f s LYS 71 Ca 0.61 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.60 2k0f s LYS 71 Cb -0.27 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 2k0f s LYS 71 CO 0.23 -0.13 0.00 -1.33 -0.92 0.00 0.00 175.35 173.19 2k0f n MET 72 N 4.24 0.00 -3.39 1.68 2.81 -1.26 -5.10 117.12 116.11 2k0f n MET 72 Ca -0.23 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.29 2k0f n MET 72 Cb 0.51 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.96 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N 0.73 4.02 0.09 0.03 -2.85 -1.26 -4.96 119.74 115.54 2k0f s LYS 73 Ca 0.00 0.52 0.12 0.00 -1.00 0.00 0.00 55.97 55.61 2k0f s LYS 73 Cb 0.00 -3.12 0.54 0.00 -2.06 0.00 0.00 37.83 33.19 2k0f s LYS 73 CO 0.00 0.60 1.37 -0.40 0.10 0.00 0.00 175.35 177.02 2k0f n ASP 74 N 1.41 0.20 -0.27 0.03 5.75 -1.26 -2.72 116.55 119.69 2k0f n ASP 74 Ca -0.10 0.57 0.02 0.00 -0.01 0.00 0.00 54.79 55.28 2k0f n ASP 74 Cb 0.52 -0.60 0.15 0.00 -1.03 0.00 0.00 41.12 40.16 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2k0f h THR 75 N 0.00 0.88 0.00 2.12 2.02 -2.00 -2.01 112.91 113.92 2k0f h THR 75 Ca 0.00 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 2k0f h THR 75 Cb 0.13 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2k0f h THR 75 CO 0.00 0.13 -0.50 0.44 0.37 0.00 0.00 175.52 175.96 2k0f h ASP 76 N 0.71 0.00 1.11 4.18 5.19 -1.94 -1.73 116.42 123.95 2k0f h ASP 76 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2k0f h ASP 76 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2k0f h ASP 76 CO -0.26 0.50 0.00 -1.20 -3.12 0.00 0.00 179.24 175.16 2k0f n SER 77 N -3.39 0.33 -0.06 6.45 7.64 -0.98 -1.45 113.62 122.16 2k0f n SER 77 Ca 0.01 0.54 -0.20 0.00 1.01 0.00 0.00 58.87 60.23 2k0f n SER 77 Cb 0.65 -0.62 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0f n GLU 78 N -1.81 0.70 0.17 1.43 2.13 -0.79 -4.15 120.64 118.31 2k0f n GLU 78 Ca 0.06 0.21 0.02 0.00 0.66 0.00 0.00 57.16 58.11 2k0f n GLU 78 Cb 0.35 -1.61 0.38 0.00 0.27 0.00 0.00 31.44 30.82 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N 0.01 0.08 -0.71 5.31 4.81 -1.18 -2.68 114.58 120.22 2k0f h GLU 79 Ca -0.50 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 79 Cb 1.95 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.28 2k0f h GLU 79 CO -0.01 0.37 0.47 0.93 -0.73 0.00 0.00 179.01 180.03 2k0f h GLU 80 N 0.08 0.68 0.00 1.92 5.08 -1.42 -0.49 114.58 120.42 2k0f h GLU 80 Ca 0.01 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 80 Cb 0.55 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 80 CO 0.04 0.45 -1.46 -0.89 -1.00 0.00 0.00 179.01 176.15 2k0f n ILE 81 N -4.48 1.15 0.06 3.13 2.08 -1.04 -3.55 119.36 116.71 2k0f n ILE 81 Ca 0.11 -0.69 -0.21 0.00 0.56 0.00 0.00 62.75 62.52 2k0f n ILE 81 Cb 0.26 -0.70 -0.11 0.00 -0.75 0.00 0.00 39.64 38.34 2k0f n ILE 81 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2k0f h ARG 82 N 0.00 0.67 0.00 0.38 3.08 -1.23 -3.25 114.38 114.02 2k0f h ARG 82 Ca -0.17 -0.78 -0.02 0.00 0.07 0.00 0.00 59.98 59.08 2k0f h ARG 82 Cb 1.58 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 2k0f h ARG 82 CO 0.04 1.34 -0.12 0.93 -1.07 0.00 0.00 179.97 181.10 2k0f h GLU 83 N 0.35 0.00 -0.19 0.04 4.39 -1.27 -3.16 114.58 114.74 2k0f h GLU 83 Ca -0.15 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 2k0f h GLU 83 Cb 1.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 2k0f h GLU 83 CO 0.22 0.12 -0.31 0.00 -1.16 0.00 0.00 179.01 177.87 2k0f h ALA 84 N 1.88 1.11 -0.91 3.43 0.00 -1.60 -2.87 119.26 120.30 2k0f h ALA 84 Ca -0.00 -0.37 0.24 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 84 Cb 0.64 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 2k0f h ALA 84 CO 0.02 0.56 0.09 0.35 0.00 0.00 0.00 179.25 180.26 2k0f h PHE 85 N 0.33 0.07 0.00 0.00 3.04 -1.59 -2.33 116.94 116.46 2k0f h PHE 85 Ca 0.04 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.05 2k0f h PHE 85 Cb 0.72 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.35 2k0f h PHE 85 CO 0.02 -0.33 0.00 0.00 -2.02 0.00 0.00 178.31 175.98 2k0f h ARG 86 N 0.08 0.00 0.15 1.11 3.08 -1.67 0.45 114.38 117.58 2k0f h ARG 86 Ca 0.55 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.59 2k0f h ARG 86 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2k0f h ARG 86 CO -0.79 0.00 -0.07 0.28 -1.07 0.00 0.00 179.97 178.32 2k0f h VAL 87 N 0.00 0.22 -0.56 2.04 2.07 -1.55 -3.39 116.25 115.09 2k0f h VAL 87 Ca 0.00 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2k0f h VAL 87 Cb 0.23 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2k0f h VAL 87 CO 0.00 0.07 0.31 -0.26 0.02 0.00 0.00 177.57 177.71 2k0f h PHE 88 N -1.03 0.58 -2.75 1.57 0.04 -1.44 -3.39 116.94 110.51 2k0f h PHE 88 Ca -0.02 0.02 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 2k0f h PHE 88 Cb 0.26 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 2k0f h PHE 88 CO 0.03 0.31 1.09 0.34 -0.60 0.00 0.00 178.31 179.48 2k0f s ASP 89 N -5.57 6.14 -0.01 2.17 2.15 0.10 -4.60 116.67 117.04 2k0f s ASP 89 Ca -0.13 0.14 -0.24 0.00 0.43 0.00 0.00 52.55 52.74 2k0f s ASP 89 Cb 0.14 -2.55 -0.19 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 89 CO 0.74 -1.73 1.24 0.50 -0.17 0.00 0.00 175.17 175.75 2k0f h LYS 90 N 10.87 0.11 0.78 4.34 1.63 -1.86 -3.33 116.57 129.11 2k0f h LYS 90 Ca -0.27 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.43 2k0f h LYS 90 Cb 1.08 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 90 CO 1.20 0.63 -0.37 0.38 -3.45 0.00 0.00 179.45 177.83 2k0f h ASP 91 N -0.39 -0.88 0.00 4.20 3.04 -1.94 -3.49 116.42 116.96 2k0f h ASP 91 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2k0f h ASP 91 Cb 0.62 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 2k0f h ASP 91 CO 0.01 -0.60 0.00 0.61 -2.04 0.00 0.00 179.24 177.23 2k0f n GLY 92 N -1.29 1.68 0.03 7.15 0.00 -1.25 -5.01 105.19 106.49 2k0f n GLY 92 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.61 0.00 1.61 6.94 -1.26 -4.94 115.26 118.22 2k0f n ASN 93 Ca 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 2k0f n ASN 93 Cb 0.00 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.40 0.60 2.88 4.83 0.00 -1.26 -5.05 105.19 108.59 2k0f n GLY 94 Ca 0.04 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.72 -0.10 1.61 1.51 -1.26 -4.36 117.35 114.47 2k0f s TYR 95 Ca 0.00 -1.13 -0.30 0.00 -1.01 0.00 0.00 57.07 54.64 2k0f s TYR 95 Cb 0.00 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 2k0f s TYR 95 CO 0.00 -0.63 1.21 0.42 -1.11 0.00 0.00 175.55 175.44 2k0f s ILE 96 N 1.63 4.29 0.58 2.71 1.01 -0.76 -4.84 121.20 125.82 2k0f s ILE 96 Ca 0.00 1.59 0.08 0.00 0.00 0.00 0.00 60.65 62.32 2k0f s ILE 96 Cb -0.16 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.37 2k0f s ILE 96 CO -0.08 -0.05 0.66 -0.94 0.00 0.00 0.00 174.94 174.53 2k0f s SER 97 N 1.64 4.86 0.06 3.58 1.04 -1.26 -1.25 113.70 122.37 2k0f s SER 97 Ca 0.55 -1.07 -0.36 0.00 0.48 0.00 0.00 55.95 55.55 2k0f s SER 97 Cb -0.23 0.48 -0.20 0.00 0.10 0.00 0.00 66.02 66.17 2k0f s SER 97 CO 0.19 -1.32 1.59 0.00 0.98 0.00 0.00 173.24 174.68 2k0f h ALA 98 N 0.35 -1.17 0.00 5.32 0.00 -1.97 -2.42 119.26 119.37 2k0f h ALA 98 Ca -0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 98 Cb 1.30 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2k0f h ALA 98 CO 0.47 -1.16 -0.14 0.00 0.00 0.00 0.00 179.25 178.42 2k0f h ALA 99 N -1.02 1.03 0.70 0.00 0.00 -1.99 -1.27 119.26 116.71 2k0f h ALA 99 Ca -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2k0f h ALA 99 Cb 0.90 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k0f h ALA 99 CO 0.19 0.17 -0.34 0.93 0.00 0.00 0.00 179.25 180.21 2k0f h GLU 100 N 0.00 -0.91 -1.00 0.00 5.08 -1.93 -2.43 114.58 113.39 2k0f h GLU 100 Ca -0.00 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 100 Cb 0.64 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.99 2k0f h GLU 100 CO 0.02 -0.58 0.63 1.25 -1.00 0.00 0.00 179.01 179.33 2k0f h LEU 101 N -1.12 0.58 -0.32 1.33 5.85 -0.81 -1.24 115.31 119.58 2k0f h LEU 101 Ca -0.10 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k0f h LEU 101 Cb 0.75 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2k0f h LEU 101 CO 0.16 0.16 0.13 0.03 -0.34 0.00 0.00 178.44 178.58 2k0f h ARG 102 N 0.54 0.47 -0.55 1.25 3.08 -1.26 -0.32 114.38 117.59 2k0f h ARG 102 Ca 0.58 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.45 2k0f h ARG 102 Cb 1.23 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2k0f h ARG 102 CO -0.33 0.47 -0.03 1.25 -1.07 0.00 0.00 179.97 180.25 2k0f h HIS 103 N 0.37 1.08 -0.35 3.04 2.76 -0.86 -0.38 115.15 120.81 2k0f h HIS 103 Ca 0.11 -0.20 -0.15 0.00 -2.20 0.00 0.00 60.37 57.93 2k0f h HIS 103 Cb 0.17 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2k0f h HIS 103 CO -0.01 0.99 -0.37 -0.39 -1.30 0.00 0.00 177.93 176.85 2k0f h VAL 104 N 0.86 1.28 -0.31 5.26 -1.51 -1.24 -0.17 116.25 120.42 2k0f h VAL 104 Ca 0.15 -1.55 -0.10 0.00 -1.23 0.00 0.00 66.70 63.98 2k0f h VAL 104 Cb 0.58 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 2k0f h VAL 104 CO 0.03 0.51 -0.21 0.24 -1.23 0.00 0.00 177.57 176.92 2k0f h MET 105 N 0.68 0.58 -0.60 5.19 2.07 -1.01 0.22 114.93 122.06 2k0f h MET 105 Ca 0.06 -0.21 0.02 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 105 Cb 0.94 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.60 2k0f h MET 105 CO 0.09 0.75 0.37 1.15 1.07 0.00 0.00 176.91 180.34 2k0f h THR 106 N 0.51 1.09 0.23 2.22 2.02 -0.97 0.28 112.91 118.29 2k0f h THR 106 Ca 0.08 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2k0f h THR 106 Cb 0.65 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2k0f h THR 106 CO 0.05 0.14 -0.11 0.78 0.37 0.00 0.00 175.52 176.74 2k0f h ASN 107 N 0.74 -0.26 0.22 4.18 2.35 -0.81 -3.32 115.58 118.68 2k0f h ASN 107 Ca 0.23 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2k0f h ASN 107 Cb -0.01 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2k0f h ASN 107 CO -0.09 -0.11 -0.42 0.25 -1.65 0.00 0.00 177.43 175.41 2k0f h LEU 108 N -0.39 -1.22 0.00 1.61 5.85 -0.55 -3.39 115.31 117.22 2k0f h LEU 108 Ca -0.03 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2k0f h LEU 108 Cb 0.30 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2k0f h LEU 108 CO 0.05 -0.48 0.00 0.61 -0.34 0.00 0.00 178.44 178.28 2k0f n GLY 109 N -1.41 0.00 3.38 3.75 0.00 -0.56 -4.94 105.19 105.41 2k0f n GLY 109 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 1.43 -0.27 1.61 0.41 -0.02 -5.02 118.70 116.84 2k0f s GLU 110 Ca 0.00 -1.59 -0.08 0.00 -0.41 0.00 0.00 54.97 52.89 2k0f s GLU 110 Cb 0.00 -1.41 -0.02 0.00 -1.78 0.00 0.00 34.13 30.92 2k0f s GLU 110 CO 0.00 0.26 0.10 -1.59 -0.49 0.00 0.00 175.26 173.54 2k0f s LYS 111 N -3.31 3.53 -0.14 1.61 -2.85 -1.26 -4.23 119.74 113.08 2k0f s LYS 111 Ca 0.23 -0.57 -0.02 0.00 -1.00 0.00 0.00 55.97 54.61 2k0f s LYS 111 Cb -0.04 -3.41 0.04 0.00 -2.06 0.00 0.00 37.83 32.37 2k0f s LYS 111 CO 0.09 -0.27 0.01 -0.51 0.10 0.00 0.00 175.35 174.77 2k0f s LEU 112 N 1.61 0.99 0.93 2.77 1.43 -1.26 -5.12 118.68 120.03 2k0f s LEU 112 Ca 0.06 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 2k0f s LEU 112 Cb -0.16 -0.58 0.15 0.00 0.03 0.00 0.00 46.19 45.63 2k0f s LEU 112 CO 0.05 -0.24 1.10 0.42 0.23 0.00 0.00 176.35 177.90 2k0f s THR 113 N 1.87 2.45 0.29 5.49 -4.23 -1.26 -4.76 115.64 115.50 2k0f s THR 113 Ca 0.02 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 2k0f s THR 113 Cb -0.15 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.12 2k0f s THR 113 CO -0.07 -0.19 1.76 0.44 -0.54 0.00 0.00 174.62 176.02 2k0f h ASP 114 N -1.63 0.50 -0.33 3.99 3.32 -2.01 0.12 116.42 120.38 2k0f h ASP 114 Ca -0.51 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 56.46 2k0f h ASP 114 Cb 1.30 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.64 2k0f h ASP 114 CO 0.56 0.70 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.48 2k0f h GLU 115 N 0.47 -0.18 -0.62 3.56 4.81 -1.99 -1.10 114.58 119.53 2k0f h GLU 115 Ca 0.08 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 115 Cb 0.57 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2k0f h GLU 115 CO 0.04 -0.12 0.36 0.93 -0.73 0.00 0.00 179.01 179.49 2k0f h GLU 116 N -0.18 0.67 -0.16 1.92 5.08 -1.22 -1.73 114.58 118.96 2k0f h GLU 116 Ca 0.17 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 116 Cb 0.44 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 116 CO -0.44 0.44 -0.47 0.28 -1.00 0.00 0.00 179.01 177.83 2k0f h VAL 117 N 0.69 0.09 -0.64 3.13 2.07 -0.80 -0.73 116.25 120.04 2k0f h VAL 117 Ca 0.26 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.87 2k0f h VAL 117 Cb 0.10 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 29.85 2k0f h VAL 117 CO -0.14 0.00 -0.47 -0.78 0.02 0.00 0.00 177.57 176.20 2k0f h ASP 118 N -0.51 -1.64 0.04 0.57 3.58 -1.01 -2.34 116.42 115.12 2k0f h ASP 118 Ca 0.07 0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.68 2k0f h ASP 118 Cb 0.65 0.74 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2k0f h ASP 118 CO -0.43 -0.33 -0.32 -0.08 -2.88 0.00 0.00 179.24 175.21 2k0f h GLU 119 N -0.20 0.40 -0.14 0.28 4.81 -1.16 -2.16 114.58 116.40 2k0f h GLU 119 Ca 0.17 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 119 Cb 0.55 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2k0f h GLU 119 CO -0.73 0.67 -0.11 1.98 -0.73 0.00 0.00 179.01 180.10 2k0f h MET 120 N 0.35 0.33 -0.03 1.92 4.05 -0.94 0.62 114.93 121.22 2k0f h MET 120 Ca 0.04 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2k0f h MET 120 Cb 0.73 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2k0f h MET 120 CO 0.06 0.69 0.01 0.82 0.23 0.00 0.00 176.91 178.72 2k0f h ILE 121 N -0.03 1.07 -0.94 1.77 2.04 -1.38 -2.51 117.51 117.53 2k0f h ILE 121 Ca 0.03 -0.19 0.16 0.00 1.00 0.00 0.00 64.86 65.85 2k0f h ILE 121 Cb 0.61 1.15 -0.10 0.00 -0.74 0.00 0.00 36.82 37.74 2k0f h ILE 121 CO 0.03 0.05 0.55 -0.09 0.00 0.00 0.00 178.15 178.69 2k0f h ARG 122 N -0.04 0.74 -0.69 2.37 2.43 -1.43 -0.28 114.38 117.49 2k0f h ARG 122 Ca 0.01 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 122 Cb 0.07 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 2k0f h ARG 122 CO -0.00 0.49 0.41 1.49 -1.51 0.00 0.00 179.97 180.85 2k0f h GLU 123 N 0.76 0.75 -0.02 0.20 4.81 -0.71 -3.27 114.58 117.11 2k0f h GLU 123 Ca 0.51 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 2k0f h GLU 123 Cb 0.71 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 123 CO -0.35 0.50 -0.02 0.00 -0.73 0.00 0.00 179.01 178.41 2k0f h ALA 124 N 1.33 0.03 -2.73 2.92 0.00 -0.95 -3.47 119.26 116.39 2k0f h ALA 124 Ca 0.29 -0.25 -0.51 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 124 Cb 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 124 CO -0.15 -0.21 0.53 0.34 0.00 0.00 0.00 179.25 179.75 2k0f s ASP 125 N -5.74 7.15 0.00 0.00 2.15 -0.17 -4.64 116.67 115.41 2k0f s ASP 125 Ca -0.16 2.27 0.00 0.00 0.43 0.00 0.00 52.55 55.09 2k0f s ASP 125 Cb 0.02 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.68 -0.29 0.00 0.00 -0.17 0.00 0.00 175.17 175.40 2k0f n ILE 126 N 1.90 0.00 0.07 4.11 0.13 -1.26 -4.78 119.36 119.53 2k0f n ILE 126 Ca 0.02 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.44 2k0f n ILE 126 Cb 0.45 -0.33 -0.15 0.00 -0.84 0.00 0.00 39.64 38.77 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N 0.00 0.62 0.00 9.51 3.04 -1.93 -3.48 116.42 124.17 2k0f h ASP 127 Ca 0.00 -0.93 0.00 0.00 -3.24 0.00 0.00 57.03 52.86 2k0f h ASP 127 Cb 0.63 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 2k0f h ASP 127 CO 0.00 1.77 0.00 0.61 -2.04 0.00 0.00 179.24 179.58 2k0f n GLY 128 N 1.84 -0.99 0.11 7.15 0.00 -1.26 -5.05 105.19 106.99 2k0f n GLY 128 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 1.39 -0.04 1.61 5.75 -1.26 -4.97 116.55 119.04 2k0f n ASP 129 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 2k0f n ASP 129 Cb 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.74 1.42 3.04 6.12 0.00 -1.26 -5.10 105.19 111.15 2k0f n GLY 130 Ca -0.23 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -1.58 0.48 -0.36 1.61 -0.21 -1.26 -4.73 119.66 113.61 2k0f s GLN 131 Ca 0.00 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 2k0f s GLN 131 Cb 0.00 -0.10 0.04 0.00 1.00 0.00 0.00 33.01 33.95 2k0f s GLN 131 CO 0.00 -0.00 0.17 0.08 -2.12 0.00 0.00 175.29 173.42 2k0f s VAL 132 N -1.78 4.23 0.75 1.09 1.01 -0.38 -4.77 120.40 120.55 2k0f s VAL 132 Ca -0.09 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 2k0f s VAL 132 Cb -0.07 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 33.00 2k0f s VAL 132 CO -0.01 -0.24 1.07 0.54 0.00 0.00 0.00 175.10 176.46 2k0f s ASN 133 N 1.54 4.48 0.32 3.32 2.20 -1.26 -1.82 114.94 123.71 2k0f s ASN 133 Ca 0.01 0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.28 2k0f s ASN 133 Cb -0.20 -0.87 0.53 0.00 -2.00 0.00 0.00 41.25 38.72 2k0f s ASN 133 CO 0.05 -1.82 1.97 1.88 -2.94 0.00 0.00 177.10 176.23 2k0f h TYR 134 N -0.78 0.89 0.15 1.54 0.05 -1.99 -2.06 116.97 114.78 2k0f h TYR 134 Ca -0.44 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 2k0f h TYR 134 Cb 1.30 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.74 2k0f h TYR 134 CO 0.04 0.59 -0.07 0.93 -1.05 0.00 0.00 178.16 178.60 2k0f h GLU 135 N 0.95 -0.19 -0.90 4.88 5.08 -1.97 -3.27 114.58 119.15 2k0f h GLU 135 Ca 0.25 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.80 2k0f h GLU 135 Cb -0.05 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2k0f h GLU 135 CO -0.05 0.10 0.58 0.93 -1.00 0.00 0.00 179.01 179.58 2k0f h GLU 136 N -0.48 0.53 0.11 2.33 5.08 -1.73 -2.58 114.58 117.82 2k0f h GLU 136 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 136 Cb 0.38 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 136 CO 0.03 0.35 -0.05 0.35 -1.00 0.00 0.00 179.01 178.69 2k0f h PHE 137 N 0.54 -0.13 0.20 4.33 3.57 -1.46 -2.88 116.94 121.11 2k0f h PHE 137 Ca 0.47 -0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.65 2k0f h PHE 137 Cb 0.97 0.04 0.03 0.00 2.79 0.00 0.00 35.95 39.78 2k0f h PHE 137 CO -0.00 0.00 -1.34 0.28 -2.23 0.00 0.00 178.31 175.02 2k0f h VAL 138 N -0.24 1.30 -0.30 1.41 2.07 -1.57 -3.15 116.25 115.77 2k0f h VAL 138 Ca -0.01 -2.59 -0.07 0.00 0.82 0.00 0.00 66.70 64.85 2k0f h VAL 138 Cb 0.19 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2k0f h VAL 138 CO 0.02 0.78 -0.13 1.56 0.02 0.00 0.00 177.57 179.82 2k0f h GLN 139 N 0.16 0.51 -0.32 1.57 4.20 -1.57 -1.80 115.11 117.87 2k0f h GLN 139 Ca -0.22 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.38 2k0f h GLN 139 Cb 2.03 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.72 2k0f h GLN 139 CO 0.25 0.63 0.09 1.98 -0.67 0.00 0.00 178.83 181.11 2k0f h MET 140 N 0.47 0.20 0.00 1.46 4.05 -1.57 -3.24 114.93 116.30 2k0f h MET 140 Ca 0.09 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 140 Cb 0.50 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2k0f h MET 140 CO 0.03 0.13 -0.11 1.98 0.23 0.00 0.00 176.91 179.18 2k0f h MET 141 N 0.21 0.00 -0.01 0.39 -1.53 -1.43 -3.51 114.93 109.05 2k0f h MET 141 Ca 0.14 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 2k0f h MET 141 Cb 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 2k0f h MET 141 CO -0.17 0.00 0.00 0.25 0.14 0.00 0.00 176.91 177.13