#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 0.00 0.09 1.09 4.39 -2.05 -3.09 114.58 115.01 2k0f h GLU 2 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2k0f h GLU 2 Cb 0.00 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2k0f h GLU 2 CO 0.00 0.00 -1.18 0.93 -1.16 0.00 0.00 179.01 177.60 2k0f h GLU 3 N 0.00 0.55 -0.01 2.33 5.08 -2.05 -0.86 114.58 119.62 2k0f h GLU 3 Ca 0.36 -0.72 -0.21 0.00 -1.00 0.00 0.00 59.36 57.79 2k0f h GLU 3 Cb 2.08 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 31.56 2k0f h GLU 3 CO -0.00 1.31 -0.90 0.37 -1.00 0.00 0.00 179.01 178.79 2k0f h GLN 4 N 0.25 0.36 -0.67 2.33 4.15 -1.98 -2.63 115.11 116.92 2k0f h GLN 4 Ca -0.16 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 58.82 2k0f h GLN 4 Cb 1.85 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.62 2k0f h GLN 4 CO 0.22 1.06 0.21 0.82 -1.93 0.00 0.00 178.83 179.21 2k0f h ILE 5 N 0.21 1.25 -0.49 2.39 1.08 -1.54 -2.77 117.51 117.64 2k0f h ILE 5 Ca -0.07 -0.87 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 2k0f h ILE 5 Cb 1.53 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.79 2k0f h ILE 5 CO 0.15 0.34 0.33 0.00 -0.69 0.00 0.00 178.15 178.28 2k0f h ALA 6 N 1.09 1.94 0.00 1.87 0.00 -1.10 0.14 119.26 123.21 2k0f h ALA 6 Ca 0.22 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 6 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k0f h ALA 6 CO -0.01 -0.03 -0.90 1.49 0.00 0.00 0.00 179.25 179.80 2k0f h GLU 7 N 0.40 0.27 -0.25 0.00 4.81 -1.20 0.18 114.58 118.79 2k0f h GLU 7 Ca 0.22 -0.29 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 7 Cb 0.34 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2k0f h GLU 7 CO -0.05 1.00 -0.54 0.74 -0.73 0.00 0.00 179.01 179.43 2k0f h PHE 8 N 0.15 1.04 -0.33 0.92 0.04 -1.18 -2.36 116.94 115.22 2k0f h PHE 8 Ca -0.06 -0.38 -0.13 0.00 2.80 0.00 0.00 57.97 60.21 2k0f h PHE 8 Cb 1.53 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 2k0f h PHE 8 CO 0.04 1.20 -0.31 -0.22 -0.60 0.00 0.00 178.31 178.42 2k0f h LYS 9 N 0.58 0.71 0.17 1.51 1.63 -0.69 -0.46 116.57 120.00 2k0f h LYS 9 Ca 0.00 -0.32 0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2k0f h LYS 9 Cb 1.15 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 9 CO 0.12 0.92 -0.46 1.49 -3.45 0.00 0.00 179.45 178.07 2k0f h GLU 10 N 0.60 -0.70 -0.46 1.90 4.81 -1.00 -2.76 114.58 116.97 2k0f h GLU 10 Ca 0.07 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 10 Cb 0.82 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2k0f h GLU 10 CO 0.07 -0.47 -0.02 0.00 -0.73 0.00 0.00 179.01 177.86 2k0f h ALA 11 N -0.36 1.11 -0.96 2.92 0.00 -1.14 -2.67 119.26 118.15 2k0f h ALA 11 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 11 Cb 0.73 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 11 CO -0.23 0.57 0.62 0.35 0.00 0.00 0.00 179.25 180.55 2k0f h PHE 12 N 0.71 1.16 0.00 0.00 3.57 -1.16 -2.33 116.94 118.89 2k0f h PHE 12 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2k0f h PHE 12 Cb 0.47 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2k0f h PHE 12 CO 0.02 0.63 0.00 0.43 -2.23 0.00 0.00 178.31 177.17 2k0f n SER 13 N -4.50 0.00 -0.11 0.41 7.64 -1.02 -1.60 113.62 114.44 2k0f n SER 13 Ca 0.14 0.11 0.09 0.00 1.01 0.00 0.00 58.87 60.22 2k0f n SER 13 Cb 0.13 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 2k0f n SER 13 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k0f n LEU 14 N -1.35 1.13 -0.09 -3.43 4.77 -0.90 -4.44 117.00 112.70 2k0f n LEU 14 Ca 0.09 -0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 55.28 2k0f n LEU 14 Cb 0.21 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 2k0f n LEU 14 CO 0.19 0.26 -0.76 0.49 -1.33 0.00 0.00 177.39 176.23 2k0f n PHE 15 N -1.11 0.87 -1.56 -1.77 3.01 -0.63 -4.82 117.46 111.45 2k0f n PHE 15 Ca 0.05 0.32 -0.51 0.00 1.01 0.00 0.00 57.45 58.32 2k0f n PHE 15 Cb 0.33 -1.10 -0.06 0.00 -0.01 0.00 0.00 39.48 38.64 2k0f n PHE 15 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k0f n ASP 16 N -4.15 2.61 -0.08 4.37 2.03 -0.86 -4.43 116.55 116.03 2k0f n ASP 16 Ca -0.36 0.65 -0.22 0.00 0.52 0.00 0.00 54.79 55.38 2k0f n ASP 16 Cb 0.81 -1.29 -0.12 0.00 -0.72 0.00 0.00 41.12 39.79 2k0f n ASP 16 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k0f n LYS 17 N 7.37 0.66 0.00 -0.67 4.76 -1.26 -4.63 118.16 124.39 2k0f n LYS 17 Ca 0.33 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 2k0f n LYS 17 Cb 0.25 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k0f n ASP 18 N -3.76 0.00 0.00 4.39 5.68 -1.26 -5.01 116.55 116.59 2k0f n ASP 18 Ca -0.41 0.76 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 2k0f n ASP 18 Cb 0.93 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 0.31 -0.85 0.11 6.12 0.00 -1.26 -5.03 105.19 104.59 2k0f n GLY 19 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 -0.45 1.61 3.04 -1.95 -3.49 116.42 115.19 2k0f h ASP 20 Ca 0.00 -0.09 -0.11 0.00 -3.24 0.00 0.00 57.03 53.58 2k0f h ASP 20 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2k0f h ASP 20 CO 0.00 0.05 -0.12 0.61 -2.04 0.00 0.00 179.24 177.74 2k0f n GLY 21 N 1.27 0.58 2.85 7.15 0.00 -1.26 -5.03 105.19 110.75 2k0f n GLY 21 Ca 0.04 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.23 0.90 -0.15 2.61 -4.23 -1.26 -4.48 115.64 106.79 2k0f s THR 22 Ca 0.00 -0.46 -0.18 0.00 -1.18 0.00 0.00 61.69 59.87 2k0f s THR 22 Cb 0.00 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2k0f s THR 22 CO 0.00 0.13 0.50 -0.63 -0.54 0.00 0.00 174.62 174.07 2k0f s ILE 23 N 1.73 5.15 0.34 2.99 1.01 -1.03 -4.94 121.20 126.46 2k0f s ILE 23 Ca 0.02 0.96 0.07 0.00 0.00 0.00 0.00 60.65 61.70 2k0f s ILE 23 Cb -0.15 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2k0f s ILE 23 CO -0.07 0.26 0.35 0.42 0.00 0.00 0.00 174.94 175.90 2k0f s THR 24 N 1.05 3.63 0.43 2.92 -4.23 -1.26 -2.91 115.64 115.25 2k0f s THR 24 Ca 0.25 -1.26 0.09 0.00 -1.18 0.00 0.00 61.69 59.60 2k0f s THR 24 Cb -0.15 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 70.69 2k0f s THR 24 CO 0.10 -0.16 2.04 0.71 -0.54 0.00 0.00 174.62 176.78 2k0f h THR 25 N 1.12 1.10 0.41 3.99 1.35 -1.92 0.43 112.91 119.38 2k0f h THR 25 Ca -0.45 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 2k0f h THR 25 Cb 1.26 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 2k0f h THR 25 CO 0.56 0.11 -0.52 0.11 -0.25 0.00 0.00 175.52 175.54 2k0f h LYS 26 N 0.37 -0.92 -0.57 4.72 1.57 -1.97 -0.99 116.57 118.78 2k0f h LYS 26 Ca 0.10 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2k0f h LYS 26 Cb 0.05 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 2k0f h LYS 26 CO -0.01 -0.61 0.25 0.93 -0.57 0.00 0.00 179.45 179.44 2k0f h GLU 27 N -0.95 0.46 -0.03 3.15 5.08 -1.70 -1.53 114.58 119.06 2k0f h GLU 27 Ca -0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 27 Cb 0.86 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2k0f h GLU 27 CO -0.12 0.30 0.01 1.25 -1.00 0.00 0.00 179.01 179.45 2k0f h LEU 28 N 0.47 0.04 -0.83 1.33 5.85 -1.04 -3.29 115.31 117.84 2k0f h LEU 28 Ca 0.27 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.89 2k0f h LEU 28 Cb 0.25 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 2k0f h LEU 28 CO -0.23 0.23 0.47 1.23 -0.34 0.00 0.00 178.44 179.80 2k0f h GLY 29 N -0.16 1.31 0.96 3.75 0.00 -0.72 -2.75 103.07 105.46 2k0f h GLY 29 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2k0f h GLY 29 CO -0.00 0.09 0.19 -0.84 0.00 0.00 0.00 176.54 175.98 2k0f h THR 30 N 0.76 1.14 0.17 4.70 2.02 -1.36 -1.34 112.91 119.00 2k0f h THR 30 Ca 0.41 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2k0f h THR 30 Cb 0.43 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2k0f h THR 30 CO -0.27 0.14 -0.09 0.58 0.37 0.00 0.00 175.52 176.25 2k0f h VAL 31 N 0.43 0.81 -0.67 3.16 2.07 -1.60 -2.67 116.25 117.78 2k0f h VAL 31 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 2k0f h VAL 31 Cb 0.06 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2k0f h VAL 31 CO -0.02 0.00 0.44 -0.03 0.02 0.00 0.00 177.57 177.98 2k0f h MET 32 N -0.25 0.58 0.01 1.57 -1.53 -1.27 0.58 114.93 114.61 2k0f h MET 32 Ca -0.02 -0.03 -0.27 0.00 -3.44 0.00 0.00 59.70 55.94 2k0f h MET 32 Cb 0.20 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.08 2k0f h MET 32 CO 0.03 0.38 -1.47 0.00 0.14 0.00 0.00 176.91 176.00 2k0f h ARG 33 N 0.59 0.03 0.00 0.39 3.08 -1.23 0.16 114.38 117.40 2k0f h ARG 33 Ca 0.30 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 2k0f h ARG 33 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2k0f h ARG 33 CO -0.10 0.73 -0.29 0.77 -1.07 0.00 0.00 179.97 180.01 2k0f h SER 34 N 0.01 0.00 0.02 7.04 0.02 -1.19 -3.08 113.55 116.37 2k0f h SER 34 Ca -0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 34 Cb 1.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2k0f h SER 34 CO 0.10 0.29 -0.01 0.25 -1.14 0.00 0.00 176.83 176.32 2k0f h LEU 35 N 0.00 -0.03 0.00 5.07 5.85 -0.85 -3.21 115.31 122.14 2k0f h LEU 35 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 35 Cb 0.68 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2k0f h LEU 35 CO 0.04 -0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 2k0f n GLY 36 N 0.73 -0.40 3.24 3.75 0.00 0.38 -4.91 105.19 107.98 2k0f n GLY 36 Ca -0.00 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.40 -0.36 1.61 2.00 -0.18 -4.98 119.66 118.15 2k0f s GLN 37 Ca 0.00 0.57 -0.03 0.00 -2.00 0.00 0.00 55.36 53.91 2k0f s GLN 37 Cb 0.00 0.13 0.08 0.00 0.80 0.00 0.00 33.01 34.02 2k0f s GLN 37 CO 0.00 -0.09 0.12 1.21 -0.50 0.00 0.00 175.29 176.03 2k0f s ASN 38 N 0.56 5.12 0.70 6.67 2.47 -1.26 -3.31 114.94 125.90 2k0f s ASN 38 Ca -0.03 -1.67 -0.01 0.00 0.42 0.00 0.00 52.86 51.57 2k0f s ASN 38 Cb -0.05 -1.79 0.13 0.00 -1.45 0.00 0.00 41.25 38.10 2k0f s ASN 38 CO -0.03 -0.42 0.88 -0.81 -3.72 0.00 0.00 177.10 173.00 2k0f n PRO 39 N 4.62 -0.06 -2.08 0.43 -0.04 -1.26 -5.12 135.00 131.48 2k0f n PRO 39 Ca -0.07 -2.34 -0.18 0.00 -0.04 0.00 0.00 63.50 60.87 2k0f n PRO 39 Cb 0.42 -0.60 0.09 0.00 -0.04 0.00 0.00 33.50 33.38 2k0f n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k0f n THR 40 N -2.70 0.00 0.06 0.52 -2.24 -1.26 -4.98 114.28 103.68 2k0f n THR 40 Ca 0.14 -1.19 -0.16 0.00 -2.27 0.00 0.00 64.05 60.57 2k0f n THR 40 Cb 0.51 -1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 2k0f n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k0f h GLU 41 N 0.00 0.24 -0.58 -0.78 5.08 -2.00 -2.08 114.58 114.46 2k0f h GLU 41 Ca -0.26 -0.41 0.12 0.00 -1.00 0.00 0.00 59.36 57.81 2k0f h GLU 41 Cb 0.94 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 41 CO 0.27 1.09 -0.05 0.00 -1.00 0.00 0.00 179.01 179.33 2k0f h ALA 42 N 0.51 0.51 -0.17 3.43 0.00 -1.99 -1.47 119.26 120.08 2k0f h ALA 42 Ca -0.24 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 42 Cb 2.01 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 2k0f h ALA 42 CO 0.16 -0.41 0.04 1.49 0.00 0.00 0.00 179.25 180.53 2k0f h GLU 43 N 0.07 0.27 -0.96 0.00 4.81 -1.95 -2.34 114.58 114.47 2k0f h GLU 43 Ca 0.29 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 43 Cb 0.46 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 43 CO -0.53 0.41 0.61 -0.07 -0.73 0.00 0.00 179.01 178.71 2k0f h LEU 44 N 0.08 0.96 0.13 1.64 3.38 -1.13 -1.71 115.31 118.67 2k0f h LEU 44 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k0f h LEU 44 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k0f h LEU 44 CO 0.00 0.60 -0.11 -0.61 0.09 0.00 0.00 178.44 178.41 2k0f h GLN 45 N 1.09 -0.25 -0.58 1.13 4.15 -1.28 -2.61 115.11 116.77 2k0f h GLN 45 Ca 0.42 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.97 2k0f h GLN 45 Cb 0.21 0.06 -0.11 0.00 0.21 0.00 0.00 27.48 27.84 2k0f h GLN 45 CO -0.19 -0.16 -0.27 0.22 -1.93 0.00 0.00 178.83 176.50 2k0f h ASP 46 N -0.25 -0.95 0.06 -0.69 3.58 -1.21 0.26 116.42 117.21 2k0f h ASP 46 Ca -0.00 0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 2k0f h ASP 46 Cb 0.23 0.50 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2k0f h ASP 46 CO -0.01 -0.28 -0.18 0.00 -2.88 0.00 0.00 179.24 175.89 2k0f h MET 47 N -0.12 0.24 0.83 0.28 -0.00 -1.30 -1.99 114.93 112.87 2k0f h MET 47 Ca 0.25 -0.06 -0.04 0.00 -0.00 0.00 0.00 59.70 59.85 2k0f h MET 47 Cb 0.52 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 32.10 2k0f h MET 47 CO -0.65 0.42 -0.40 0.82 -0.00 0.00 0.00 176.91 177.10 2k0f h ILE 48 N 0.23 0.17 -0.36 -0.10 1.08 -0.89 -3.16 117.51 114.47 2k0f h ILE 48 Ca 0.04 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 2k0f h ILE 48 Cb 0.45 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 2k0f h ILE 48 CO 0.03 0.00 0.08 -1.13 -0.69 0.00 0.00 178.15 176.44 2k0f h ASN 49 N -1.13 0.49 -0.50 1.72 -1.24 -0.42 0.15 115.58 114.65 2k0f h ASN 49 Ca -0.11 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 56.87 2k0f h ASN 49 Cb 0.86 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 39.72 2k0f h ASN 49 CO 0.19 0.50 -0.30 1.21 -1.29 0.00 0.00 177.43 177.74 2k0f n GLU 50 N -4.33 -0.22 0.12 6.67 4.07 -0.76 -2.96 120.64 123.23 2k0f n GLU 50 Ca 0.02 1.24 0.12 0.00 -0.06 0.00 0.00 57.16 58.48 2k0f n GLU 50 Cb 0.19 -1.83 0.47 0.00 -0.06 0.00 0.00 31.44 30.21 2k0f n GLU 50 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2k0f n VAL 51 N -4.14 0.75 -2.65 6.31 0.24 -0.67 -4.80 118.33 113.38 2k0f n VAL 51 Ca 0.01 0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 2k0f n VAL 51 Cb 0.13 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 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 -4.35 6.31 -0.01 -1.34 2.15 -0.05 -4.92 116.67 114.47 2k0f s ASP 52 Ca 0.06 -0.26 -0.19 0.00 0.43 0.00 0.00 52.55 52.59 2k0f s ASP 52 Cb 0.10 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 52 CO 0.46 -1.53 0.84 0.00 -0.17 0.00 0.00 175.17 174.77 2k0f h ALA 53 N 9.64 -0.74 -0.72 3.66 0.00 -1.87 -3.40 119.26 125.84 2k0f h ALA 53 Ca -0.26 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 53 Cb 1.06 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 53 CO 1.19 -0.69 0.40 0.38 0.00 0.00 0.00 179.25 180.53 2k0f h ASP 54 N -1.08 0.58 0.00 0.00 3.04 -1.94 -3.47 116.42 113.55 2k0f h ASP 54 Ca -0.07 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2k0f h ASP 54 Cb 0.52 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 2k0f h ASP 54 CO 0.11 0.36 0.00 0.61 -2.04 0.00 0.00 179.24 178.28 2k0f n GLY 55 N -1.30 1.34 0.95 7.15 0.00 -1.26 -5.00 105.19 107.06 2k0f n GLY 55 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 2.83 -0.05 1.61 0.23 -1.26 -4.92 115.26 113.69 2k0f n ASN 56 Ca 0.00 -1.91 -0.01 0.00 -0.53 0.00 0.00 54.58 52.14 2k0f n ASN 56 Cb 0.00 -0.21 -0.00 0.00 -2.08 0.00 0.00 39.78 37.49 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.37 0.35 3.46 4.83 0.00 -1.26 -5.01 105.19 108.94 2k0f n GLY 57 Ca 0.18 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.65 2.57 -0.31 2.61 -4.23 -1.26 -4.86 115.64 108.51 2k0f s THR 58 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 2k0f s THR 58 Cb 0.00 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 2k0f s THR 58 CO 0.00 -0.16 0.71 -0.51 -0.54 0.00 0.00 174.62 174.12 2k0f s ILE 59 N -1.80 4.86 0.14 2.99 2.07 -1.15 -4.82 121.20 123.49 2k0f s ILE 59 Ca 0.23 1.01 0.02 0.00 -1.41 0.00 0.00 60.65 60.50 2k0f s ILE 59 Cb -0.08 -4.08 0.02 0.00 0.13 0.00 0.00 42.46 38.46 2k0f s ILE 59 CO 0.12 -0.20 0.18 0.47 -1.91 0.00 0.00 174.94 173.60 2k0f n ASP 60 N 6.05 0.58 -0.06 4.50 9.92 -1.26 -2.47 116.55 133.82 2k0f n ASP 60 Ca 0.01 -1.37 -0.15 0.00 -0.53 0.00 0.00 54.79 52.75 2k0f n ASP 60 Cb 0.48 -0.09 -0.04 0.00 -0.64 0.00 0.00 41.12 40.83 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N 0.07 1.06 0.00 1.24 3.57 -1.98 -1.23 116.94 119.67 2k0f h PHE 61 Ca -0.07 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2k0f h PHE 61 Cb 0.30 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2k0f h PHE 61 CO 0.00 1.22 0.00 -1.35 -2.23 0.00 0.00 178.31 175.95 2k0f h PRO 62 N 0.62 0.00 0.06 6.41 0.11 -1.98 0.18 132.00 137.40 2k0f h PRO 62 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k0f h PRO 62 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k0f h PRO 62 CO 0.13 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 178.82 2k0f h GLU 63 N 0.00 -0.08 -0.78 1.05 5.08 -1.90 -2.83 114.58 115.12 2k0f h GLU 63 Ca 0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 63 Cb 0.57 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 63 CO 0.00 0.49 0.46 0.35 -1.00 0.00 0.00 179.01 179.31 2k0f h PHE 64 N -0.75 0.85 -0.51 4.33 3.57 -1.01 -1.34 116.94 122.07 2k0f h PHE 64 Ca -0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 64 Cb 0.61 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2k0f h PHE 64 CO 0.13 0.41 0.19 1.25 -2.23 0.00 0.00 178.31 178.05 2k0f h LEU 65 N 0.83 0.72 -1.37 0.59 5.85 -0.76 -1.54 115.31 119.63 2k0f h LEU 65 Ca 0.35 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2k0f h LEU 65 Cb 0.22 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2k0f h LEU 65 CO -0.19 0.71 -0.31 0.74 -0.34 0.00 0.00 178.44 179.05 2k0f h THR 66 N 0.69 1.10 0.06 1.05 2.02 -1.28 -0.94 112.91 115.62 2k0f h THR 66 Ca 0.17 -1.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.13 2k0f h THR 66 Cb 0.23 1.62 0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2k0f h THR 66 CO -0.01 0.30 -0.46 -0.03 0.37 0.00 0.00 175.52 175.70 2k0f h MET 67 N 0.00 0.20 0.00 6.66 1.85 -0.85 -2.90 114.93 119.89 2k0f h MET 67 Ca -0.00 -0.30 -0.16 0.00 -0.61 0.00 0.00 59.70 58.63 2k0f h MET 67 Cb 0.59 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 2k0f h MET 67 CO 0.04 1.10 -0.78 0.52 -0.40 0.00 0.00 176.91 177.40 2k0f h MET 68 N -0.56 0.00 0.00 0.39 2.86 -1.30 -3.28 114.93 113.04 2k0f h MET 68 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 68 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2k0f h MET 68 CO 0.09 0.78 0.00 0.00 1.06 0.00 0.00 176.91 178.83 2k0f h ALA 69 N 1.22 1.00 -1.81 6.32 0.00 -1.23 -3.44 119.26 121.32 2k0f h ALA 69 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 69 Cb 1.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.27 2k0f h ALA 69 CO 0.10 0.00 1.28 -2.13 0.00 0.00 0.00 179.25 178.50 2k0f n ARG 70 N -2.50 1.90 -3.07 0.00 0.63 -1.10 -4.97 116.66 107.55 2k0f n ARG 70 Ca 0.05 0.63 -0.39 0.00 -0.92 0.00 0.00 57.85 57.21 2k0f n ARG 70 Cb 0.43 -2.76 -0.06 0.00 0.45 0.00 0.00 32.46 30.52 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k0f s LYS 71 N 5.17 4.43 0.63 -0.14 2.47 -1.26 -5.03 119.74 126.01 2k0f s LYS 71 Ca 0.99 0.98 -0.10 0.00 -1.56 0.00 0.00 55.97 56.27 2k0f s LYS 71 Cb -0.63 -3.31 -0.01 0.00 -1.46 0.00 0.00 37.83 32.41 2k0f s LYS 71 CO 0.47 0.44 1.01 -1.64 0.16 0.00 0.00 175.35 175.78 2k0f s MET 72 N -0.55 3.20 1.09 4.03 -1.94 -1.26 -5.10 119.30 118.77 2k0f s MET 72 Ca 0.35 0.45 -0.13 0.00 -1.71 0.00 0.00 55.69 54.65 2k0f s MET 72 Cb -0.21 -2.12 0.24 0.00 2.01 0.00 0.00 34.83 34.75 2k0f s MET 72 CO 0.22 -0.72 1.06 0.15 -0.01 0.00 0.00 175.02 175.71 2k0f s LYS 73 N -5.16 -0.36 0.00 2.03 1.02 -1.26 -4.83 119.74 111.18 2k0f s LYS 73 Ca 0.55 0.71 0.00 0.00 0.02 0.00 0.00 55.97 57.25 2k0f s LYS 73 Cb -0.11 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 2k0f s LYS 73 CO 0.51 -3.31 0.59 -0.40 -0.92 0.00 0.00 175.35 171.82 2k0f n ASP 74 N -4.61 0.00 0.13 2.83 5.68 -1.26 -1.73 116.55 117.60 2k0f n ASP 74 Ca 0.04 0.59 -0.00 0.00 -0.50 0.00 0.00 54.79 54.92 2k0f n ASP 74 Cb 0.55 -0.22 0.13 0.00 -1.14 0.00 0.00 41.12 40.44 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k0f h THR 75 N 0.00 1.30 -0.52 2.12 2.02 -1.99 -1.64 112.91 114.21 2k0f h THR 75 Ca 0.00 -2.29 0.05 0.00 0.77 0.00 0.00 66.41 64.93 2k0f h THR 75 Cb 0.00 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 2k0f h THR 75 CO 0.00 0.62 0.35 0.44 0.37 0.00 0.00 175.52 177.30 2k0f h ASP 76 N 0.00 0.45 1.37 4.18 3.32 -1.90 0.39 116.42 124.22 2k0f h ASP 76 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k0f h ASP 76 Cb 1.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2k0f h ASP 76 CO 0.08 0.30 -0.01 -1.20 -1.72 0.00 0.00 179.24 176.70 2k0f n SER 77 N -4.47 0.64 -0.01 6.45 7.64 -0.63 -1.30 113.62 121.93 2k0f n SER 77 Ca 0.07 0.55 -0.19 0.00 1.01 0.00 0.00 58.87 60.31 2k0f n SER 77 Cb 0.20 -0.72 -0.14 0.00 -1.01 0.00 0.00 64.21 62.54 2k0f n SER 77 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k0f n GLU 78 N -2.09 0.73 0.25 1.43 -0.58 -0.28 -4.11 120.64 116.00 2k0f n GLU 78 Ca 0.06 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 57.18 2k0f n GLU 78 Cb 0.41 -1.70 0.66 0.00 -0.57 0.00 0.00 31.44 30.24 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2k0f h GLU 79 N 0.05 0.00 -0.83 3.49 4.57 -0.13 0.15 114.58 121.89 2k0f h GLU 79 Ca -0.42 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.85 2k0f h GLU 79 Cb 2.02 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.56 2k0f h GLU 79 CO 0.07 0.14 0.54 0.93 -1.18 0.00 0.00 179.01 179.51 2k0f h GLU 80 N 0.00 0.78 0.02 1.92 5.08 -1.35 -2.34 114.58 118.70 2k0f h GLU 80 Ca -0.00 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 80 Cb 0.47 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 80 CO 0.02 0.52 -1.38 0.82 -1.00 0.00 0.00 179.01 177.98 2k0f h ILE 81 N 0.80 1.27 -0.45 3.13 1.08 -0.90 -2.62 117.51 119.81 2k0f h ILE 81 Ca 0.38 -3.02 -0.13 0.00 -0.39 0.00 0.00 64.86 61.71 2k0f h ILE 81 Cb 0.41 2.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 2k0f h ILE 81 CO -0.15 0.76 -0.21 0.03 -0.69 0.00 0.00 178.15 177.88 2k0f h ARG 82 N 0.01 0.95 -0.13 2.37 2.47 -1.32 -1.28 114.38 117.45 2k0f h ARG 82 Ca -0.16 -0.41 -0.18 0.00 -1.26 0.00 0.00 59.98 57.96 2k0f h ARG 82 Cb 1.91 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 30.20 2k0f h ARG 82 CO 0.12 1.08 -0.67 0.93 0.56 0.00 0.00 179.97 181.98 2k0f h GLU 83 N 0.79 0.52 -0.04 0.04 4.39 -1.51 0.68 114.58 119.45 2k0f h GLU 83 Ca 0.10 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 83 Cb 0.79 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 2k0f h GLU 83 CO 0.07 1.01 -0.49 0.00 -1.16 0.00 0.00 179.01 178.44 2k0f h ALA 84 N 0.89 -0.89 -0.88 3.43 0.00 -1.47 -2.44 119.26 117.89 2k0f h ALA 84 Ca -0.02 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 84 Cb 1.24 0.94 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 2k0f h ALA 84 CO 0.12 -1.05 0.43 0.35 0.00 0.00 0.00 179.25 179.10 2k0f h PHE 85 N -0.59 0.73 0.00 0.00 3.04 -1.16 -2.49 116.94 116.47 2k0f h PHE 85 Ca 0.02 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 2k0f h PHE 85 Cb 0.65 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 2k0f h PHE 85 CO -0.53 0.07 -0.13 -0.09 -2.02 0.00 0.00 178.31 175.61 2k0f h ARG 86 N 0.52 0.00 -0.05 1.11 2.43 -0.52 0.37 114.38 118.24 2k0f h ARG 86 Ca 0.52 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 2k0f h ARG 86 Cb 0.88 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2k0f h ARG 86 CO -0.45 0.13 0.00 0.28 -1.51 0.00 0.00 179.97 178.43 2k0f h VAL 87 N 0.00 1.24 -0.01 0.20 2.07 -0.98 -3.37 116.25 115.41 2k0f h VAL 87 Ca -0.00 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 2k0f h VAL 87 Cb 0.58 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2k0f h VAL 87 CO 0.02 0.20 -0.15 -0.26 0.02 0.00 0.00 177.57 177.40 2k0f h PHE 88 N -0.20 0.16 -1.35 1.57 0.04 -1.25 -3.40 116.94 112.51 2k0f h PHE 88 Ca 0.01 -0.08 -0.53 0.00 2.80 0.00 0.00 57.97 60.17 2k0f h PHE 88 Cb 0.32 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.36 2k0f h PHE 88 CO 0.03 0.86 1.28 0.34 -0.60 0.00 0.00 178.31 180.21 2k0f s ASP 89 N -6.17 6.14 0.12 2.17 2.15 0.12 -4.35 116.67 116.86 2k0f s ASP 89 Ca -0.16 -1.02 0.01 0.00 0.43 0.00 0.00 52.55 51.81 2k0f s ASP 89 Cb 0.00 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 89 CO 0.72 -1.83 1.26 0.50 -0.17 0.00 0.00 175.17 175.65 2k0f h LYS 90 N 10.38 0.18 0.08 4.34 1.63 -1.80 -3.34 116.57 128.04 2k0f h LYS 90 Ca 0.06 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2k0f h LYS 90 Cb 1.03 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2k0f h LYS 90 CO 1.35 1.07 -0.04 0.38 -3.45 0.00 0.00 179.45 178.77 2k0f h ASP 91 N 0.07 -0.09 0.00 4.20 3.04 -1.93 -3.49 116.42 118.22 2k0f h ASP 91 Ca -0.07 -0.44 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2k0f h ASP 91 Cb 1.75 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 40.06 2k0f h ASP 91 CO 0.16 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.55 2k0f n GLY 92 N 1.21 0.26 0.22 7.15 0.00 -1.26 -5.02 105.19 107.75 2k0f n GLY 92 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 7.08 -1.94 -3.47 115.58 118.86 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.19 0.00 0.61 -2.08 0.00 0.00 177.43 176.15 2k0f n GLY 94 N 0.45 1.01 3.08 9.14 0.00 -1.26 -5.09 105.19 112.52 2k0f n GLY 94 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 1.83 -0.13 1.61 1.51 -1.26 -4.51 117.35 114.40 2k0f s TYR 95 Ca 0.00 -0.74 -0.19 0.00 -1.01 0.00 0.00 57.07 55.12 2k0f s TYR 95 Cb 0.00 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 2k0f s TYR 95 CO 0.00 -0.36 0.53 0.42 -1.11 0.00 0.00 175.55 175.04 2k0f s ILE 96 N 0.66 5.14 0.30 2.71 1.01 0.35 -4.84 121.20 126.53 2k0f s ILE 96 Ca -0.14 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.63 2k0f s ILE 96 Cb -0.16 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2k0f s ILE 96 CO 0.04 0.27 0.34 -0.94 0.00 0.00 0.00 174.94 174.65 2k0f s SER 97 N 0.79 5.77 0.20 3.58 1.04 -1.26 -1.74 113.70 122.08 2k0f s SER 97 Ca 0.28 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 2k0f s SER 97 Cb -0.16 -1.34 0.18 0.00 0.10 0.00 0.00 66.02 64.80 2k0f s SER 97 CO 0.11 -0.24 1.62 0.00 0.98 0.00 0.00 173.24 175.71 2k0f h ALA 98 N 1.18 0.23 0.01 5.32 0.00 -1.90 -0.86 119.26 123.24 2k0f h ALA 98 Ca -0.47 0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 98 Cb 1.25 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 2k0f h ALA 98 CO 0.58 -0.52 -0.41 0.00 0.00 0.00 0.00 179.25 178.90 2k0f h ALA 99 N 1.37 -0.65 -0.32 0.00 0.00 -1.96 0.71 119.26 118.41 2k0f h ALA 99 Ca 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2k0f h ALA 99 Cb 0.49 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 99 CO -0.63 -0.94 0.01 0.93 0.00 0.00 0.00 179.25 178.62 2k0f h GLU 100 N -0.57 0.55 -0.58 0.00 5.08 -1.84 -0.65 114.58 116.56 2k0f h GLU 100 Ca 0.05 -0.17 0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 100 Cb 0.64 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 100 CO -0.30 0.68 0.01 1.25 -1.00 0.00 0.00 179.01 179.65 2k0f h LEU 101 N 0.36 -0.23 -0.39 1.33 5.85 -1.07 0.22 115.31 121.37 2k0f h LEU 101 Ca 0.09 0.14 -0.18 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 101 Cb 0.42 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 101 CO 0.01 -0.09 -0.57 -0.09 -0.34 0.00 0.00 178.44 177.36 2k0f h ARG 102 N 0.13 0.71 0.49 1.25 2.43 -0.79 -2.75 114.38 115.85 2k0f h ARG 102 Ca 0.30 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 2k0f h ARG 102 Cb 0.48 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2k0f h ARG 102 CO -0.49 1.09 -0.30 1.25 -1.51 0.00 0.00 179.97 180.00 2k0f h HIS 103 N 0.54 -0.80 0.00 2.20 2.76 -0.29 -1.55 115.15 118.01 2k0f h HIS 103 Ca 0.01 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k0f h HIS 103 Cb 1.15 0.29 -0.00 0.00 1.55 0.00 0.00 27.41 30.40 2k0f h HIS 103 CO 0.06 -0.47 -0.01 -0.39 -1.30 0.00 0.00 177.93 175.83 2k0f h VAL 104 N -0.76 0.02 0.00 5.26 -1.51 -0.99 0.39 116.25 118.66 2k0f h VAL 104 Ca -0.06 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2k0f h VAL 104 Cb 0.62 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2k0f h VAL 104 CO 0.06 0.01 -1.39 0.23 -1.23 0.00 0.00 177.57 175.24 2k0f n MET 105 N -3.10 0.60 -0.04 5.19 2.00 -1.04 -2.57 117.12 118.16 2k0f n MET 105 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 2k0f n MET 105 Cb 0.33 -1.69 -0.08 0.00 0.00 0.00 0.00 33.22 31.78 2k0f n MET 105 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2k0f h THR 106 N 0.00 1.33 -0.35 2.03 2.02 -0.94 0.15 112.91 117.16 2k0f h THR 106 Ca 0.00 -1.12 0.07 0.00 0.77 0.00 0.00 66.41 66.13 2k0f h THR 106 Cb 0.98 1.86 -0.09 0.00 -1.74 0.00 0.00 68.15 69.17 2k0f h THR 106 CO 0.00 0.32 -0.38 0.78 0.37 0.00 0.00 175.52 176.61 2k0f h ASN 107 N -0.16 -1.24 -0.71 4.18 2.35 -1.05 -3.17 115.58 115.78 2k0f h ASN 107 Ca 0.02 0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 2k0f h ASN 107 Cb 0.53 0.55 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 2k0f h ASN 107 CO 0.02 -0.36 0.20 0.25 -1.65 0.00 0.00 177.43 175.89 2k0f h LEU 108 N -0.32 1.05 0.00 1.61 5.85 -1.50 -3.44 115.31 118.55 2k0f h LEU 108 Ca 0.14 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2k0f h LEU 108 Cb 0.57 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2k0f h LEU 108 CO -0.52 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.18 2k0f n GLY 109 N -0.75 0.80 3.92 3.75 0.00 -0.31 -4.73 105.19 107.88 2k0f n GLY 109 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 0.40 2.57 -0.71 1.61 0.41 0.38 -5.00 118.70 118.37 2k0f s GLU 110 Ca 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 54.97 54.43 2k0f s GLU 110 Cb 0.00 -2.21 0.18 0.00 -1.78 0.00 0.00 34.13 30.32 2k0f s GLU 110 CO 0.00 -0.98 0.55 0.21 -0.49 0.00 0.00 175.26 174.55 2k0f s LYS 111 N -5.13 2.81 -0.01 1.61 2.20 -1.26 -4.73 119.74 115.22 2k0f s LYS 111 Ca 0.57 -2.77 0.02 0.00 -0.36 0.00 0.00 55.97 53.43 2k0f s LYS 111 Cb -0.11 -3.81 -0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2k0f s LYS 111 CO 0.45 -1.21 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.65 2k0f s LEU 112 N -0.47 1.97 0.79 5.43 1.43 -1.26 -5.15 118.68 121.42 2k0f s LEU 112 Ca 0.20 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2k0f s LEU 112 Cb -0.16 -0.38 0.14 0.00 0.03 0.00 0.00 46.19 45.82 2k0f s LEU 112 CO -0.06 0.08 1.09 0.42 0.23 0.00 0.00 176.35 178.10 2k0f s THR 113 N -0.10 2.11 0.21 5.49 -4.23 -1.26 -4.89 115.64 112.96 2k0f s THR 113 Ca 0.02 -0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 60.02 2k0f s THR 113 Cb -0.04 -2.70 0.15 0.00 1.34 0.00 0.00 72.50 71.25 2k0f s THR 113 CO -0.00 0.00 1.86 0.44 -0.54 0.00 0.00 174.62 176.38 2k0f h ASP 114 N -0.84 0.87 -0.73 3.99 3.32 -2.01 -2.39 116.42 118.63 2k0f h ASP 114 Ca -0.39 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2k0f h ASP 114 Cb 1.26 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 2k0f h ASP 114 CO 0.41 0.65 0.41 -0.33 -1.72 0.00 0.00 179.24 178.66 2k0f h GLU 115 N 1.01 1.03 0.00 3.56 5.08 -1.97 -0.26 114.58 123.02 2k0f h GLU 115 Ca 0.27 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 115 Cb -0.07 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 2k0f h GLU 115 CO -0.05 0.75 -0.85 0.93 -1.00 0.00 0.00 179.01 178.78 2k0f h GLU 116 N 1.03 0.00 -0.39 2.33 5.08 -1.88 -0.31 114.58 120.44 2k0f h GLU 116 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 116 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 116 CO -0.04 0.85 -0.04 0.28 -1.00 0.00 0.00 179.01 179.06 2k0f h VAL 117 N 0.00 1.27 -0.49 3.13 2.07 -1.32 0.17 116.25 121.07 2k0f h VAL 117 Ca -0.01 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2k0f h VAL 117 Cb 1.53 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2k0f h VAL 117 CO 0.11 0.36 0.27 -0.78 0.02 0.00 0.00 177.57 177.55 2k0f h ASP 118 N 0.54 0.61 -0.21 0.57 3.58 -1.02 -2.77 116.42 117.72 2k0f h ASP 118 Ca 0.11 -0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.31 2k0f h ASP 118 Cb 0.53 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k0f h ASP 118 CO 0.03 0.52 -0.51 -0.08 -2.88 0.00 0.00 179.24 176.32 2k0f h GLU 119 N 0.65 0.71 -0.64 0.28 4.81 -0.58 0.67 114.58 120.48 2k0f h GLU 119 Ca 0.17 -0.49 0.12 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 119 Cb 0.05 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.41 2k0f h GLU 119 CO -0.03 1.11 0.17 0.52 -0.73 0.00 0.00 179.01 180.05 2k0f h MET 120 N 0.42 0.30 -0.00 1.92 2.86 -0.72 0.11 114.93 119.81 2k0f h MET 120 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 120 Cb 1.12 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2k0f h MET 120 CO 0.11 0.20 -0.00 0.82 1.06 0.00 0.00 176.91 179.10 2k0f h ILE 121 N 0.31 1.58 -0.20 -1.22 2.04 -1.44 -3.16 117.51 115.41 2k0f h ILE 121 Ca 0.34 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2k0f h ILE 121 Cb 0.50 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 2k0f h ILE 121 CO -0.40 0.44 -0.09 -0.09 0.00 0.00 0.00 178.15 178.01 2k0f h ARG 122 N -0.72 0.31 -0.38 2.37 2.43 -0.55 0.98 114.38 118.81 2k0f h ARG 122 Ca -0.00 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2k0f h ARG 122 Cb 0.72 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2k0f h ARG 122 CO 0.00 0.41 0.07 1.49 -1.51 0.00 0.00 179.97 180.43 2k0f h GLU 123 N 0.30 0.57 0.07 0.20 4.81 -0.94 -3.24 114.58 116.34 2k0f h GLU 123 Ca 0.06 -0.10 -0.25 0.00 -0.13 0.00 0.00 59.36 58.94 2k0f h GLU 123 Cb 0.34 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 123 CO 0.02 0.54 -1.10 0.00 -0.73 0.00 0.00 179.01 177.75 2k0f h ALA 124 N 1.52 0.24 -0.27 2.92 0.00 -1.07 -3.45 119.26 119.16 2k0f h ALA 124 Ca 0.13 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 124 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k0f h ALA 124 CO 0.00 0.94 0.40 -3.47 0.00 0.00 0.00 179.25 177.12 2k0f n ASP 125 N -3.59 1.16 0.11 0.00 2.03 0.18 -4.86 116.55 111.58 2k0f n ASP 125 Ca -0.07 -1.33 -0.03 0.00 0.52 0.00 0.00 54.79 53.88 2k0f n ASP 125 Cb 0.94 -1.45 0.15 0.00 -0.72 0.00 0.00 41.12 40.05 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2k0f h ILE 126 N 7.55 1.41 0.00 5.18 6.09 -1.88 -3.39 117.51 132.47 2k0f h ILE 126 Ca 0.01 -2.01 0.00 0.00 -1.37 0.00 0.00 64.86 61.49 2k0f h ILE 126 Cb 1.03 2.05 0.00 0.00 0.47 0.00 0.00 36.82 40.36 2k0f h ILE 126 CO 1.12 0.58 0.00 -0.90 -3.07 0.00 0.00 178.15 175.89 2k0f n ASP 127 N -3.85 0.00 0.00 2.19 5.68 -1.26 -5.07 116.55 114.24 2k0f n ASP 127 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 2k0f n ASP 127 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.74 -0.37 0.21 6.12 0.00 -1.26 -5.03 105.19 107.59 2k0f n GLY 128 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.25 0.00 1.61 3.04 -1.97 -3.46 116.42 115.89 2k0f h ASP 129 Ca 0.00 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 2k0f h ASP 129 Cb 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 2k0f h ASP 129 CO 0.00 0.60 0.00 0.61 -2.04 0.00 0.00 179.24 178.41 2k0f n GLY 130 N -0.31 0.96 3.60 7.15 0.00 -1.26 -5.09 105.19 110.24 2k0f n GLY 130 Ca -0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.89 2.02 -0.24 1.61 -0.21 -1.26 -4.63 119.66 116.05 2k0f s GLN 131 Ca 0.00 -1.74 -0.07 0.00 0.02 0.00 0.00 55.36 53.58 2k0f s GLN 131 Cb 0.00 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.08 2k0f s GLN 131 CO 0.00 0.19 0.05 0.08 -2.12 0.00 0.00 175.29 173.48 2k0f s VAL 132 N -2.51 4.13 0.45 1.09 1.01 -0.71 -4.84 120.40 119.03 2k0f s VAL 132 Ca 0.33 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2k0f s VAL 132 Cb -0.01 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.53 2k0f s VAL 132 CO 0.18 0.36 0.63 -0.46 0.00 0.00 0.00 175.10 175.82 2k0f n ASN 133 N 4.83 1.64 -0.31 3.32 0.23 -1.26 -0.49 115.26 123.22 2k0f n ASN 133 Ca -0.17 -2.20 0.02 0.00 -0.53 0.00 0.00 54.58 51.71 2k0f n ASN 133 Cb 0.51 -0.33 0.16 0.00 -2.08 0.00 0.00 39.78 38.04 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N 0.07 0.94 -0.22 -2.53 3.20 -1.99 -1.54 116.97 114.90 2k0f h TYR 134 Ca -0.21 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 2k0f h TYR 134 Cb 0.97 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2k0f h TYR 134 CO 0.00 0.43 0.07 0.93 -1.64 0.00 0.00 178.16 177.95 2k0f h GLU 135 N 0.89 0.34 -0.83 1.82 5.08 -1.98 -0.95 114.58 118.94 2k0f h GLU 135 Ca 0.39 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 135 Cb 0.27 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 135 CO -0.21 0.43 0.37 0.93 -1.00 0.00 0.00 179.01 179.53 2k0f h GLU 136 N 0.18 1.22 0.00 2.33 5.08 -1.86 -0.40 114.58 121.13 2k0f h GLU 136 Ca 0.07 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 136 Cb 0.23 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 136 CO -0.00 0.96 -0.87 0.35 -1.00 0.00 0.00 179.01 178.44 2k0f h PHE 137 N 1.20 0.00 -0.05 4.33 3.04 -1.11 -1.89 116.94 122.46 2k0f h PHE 137 Ca 0.28 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.12 2k0f h PHE 137 Cb 0.16 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.68 2k0f h PHE 137 CO 0.02 0.86 -0.43 0.28 -2.02 0.00 0.00 178.31 177.03 2k0f h VAL 138 N 0.00 1.43 -0.63 1.41 2.07 -1.08 -3.15 116.25 116.29 2k0f h VAL 138 Ca -0.01 -1.87 0.12 0.00 0.82 0.00 0.00 66.70 65.76 2k0f h VAL 138 Cb 1.67 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 33.78 2k0f h VAL 138 CO 0.11 0.54 0.14 -0.61 0.02 0.00 0.00 177.57 177.77 2k0f h GLN 139 N -0.13 0.25 -0.36 1.57 4.15 -0.97 -0.35 115.11 119.28 2k0f h GLN 139 Ca -0.04 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 139 Cb 1.11 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 2k0f h GLN 139 CO 0.09 0.17 0.05 1.98 -1.93 0.00 0.00 178.83 179.18 2k0f h MET 140 N 0.26 0.16 0.00 1.69 4.05 -1.45 -3.29 114.93 116.34 2k0f h MET 140 Ca 0.34 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 2k0f h MET 140 Cb 0.51 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2k0f h MET 140 CO -0.43 0.10 -1.03 -1.33 0.23 0.00 0.00 176.91 174.46 2k0f n MET 141 N -5.13 0.16 0.00 0.39 2.81 -0.87 -5.11 117.12 109.38 2k0f n MET 141 Ca 0.02 -0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 2k0f n MET 141 Cb 0.17 -1.53 0.69 0.00 -0.71 0.00 0.00 33.22 31.84 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73