#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 0.38 -0.70 -0.78 3.07 -2.05 -1.63 114.58 112.87 2k0f h GLU 2 Ca 0.00 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 2k0f h GLU 2 Cb 0.00 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 2k0f h GLU 2 CO 0.00 0.25 0.21 1.49 -1.40 0.00 0.00 179.01 179.56 2k0f h GLU 3 N 0.39 1.09 0.09 2.33 4.81 -2.05 -2.00 114.58 119.24 2k0f h GLU 3 Ca 0.40 -0.23 -0.27 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 3 Cb 0.97 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 3 CO -0.13 0.94 -1.15 1.96 -0.73 0.00 0.00 179.01 179.90 2k0f h GLN 4 N 1.05 0.45 -0.25 1.92 4.20 -1.76 -0.76 115.11 119.96 2k0f h GLN 4 Ca 0.23 -0.60 0.03 0.00 0.06 0.00 0.00 58.65 58.37 2k0f h GLN 4 Cb 0.31 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2k0f h GLN 4 CO -0.01 1.24 0.06 0.82 -0.67 0.00 0.00 178.83 180.27 2k0f h ILE 5 N 0.20 0.89 -0.70 2.54 1.08 -1.39 -1.53 117.51 118.61 2k0f h ILE 5 Ca -0.14 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2k0f h ILE 5 Cb 1.82 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.26 2k0f h ILE 5 CO 0.20 0.03 0.46 0.00 -0.69 0.00 0.00 178.15 178.16 2k0f h ALA 6 N 1.18 1.52 0.01 1.87 0.00 -1.19 0.44 119.26 123.08 2k0f h ALA 6 Ca 0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 6 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k0f h ALA 6 CO -0.14 0.44 -0.89 1.49 0.00 0.00 0.00 179.25 180.14 2k0f h GLU 7 N 0.93 0.06 -0.15 0.00 4.81 -0.96 -0.56 114.58 118.70 2k0f h GLU 7 Ca 0.26 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 7 Cb -0.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2k0f h GLU 7 CO -0.06 0.91 -0.44 0.35 -0.73 0.00 0.00 179.01 179.03 2k0f h PHE 8 N 0.03 0.45 -0.32 0.92 3.57 -1.06 -0.60 116.94 119.93 2k0f h PHE 8 Ca -0.02 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 2k0f h PHE 8 Cb 1.55 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 2k0f h PHE 8 CO 0.01 0.76 0.12 -0.22 -2.23 0.00 0.00 178.31 176.75 2k0f h LYS 9 N 0.31 0.48 0.00 1.11 3.64 -0.81 -0.53 116.57 120.77 2k0f h LYS 9 Ca 0.02 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2k0f h LYS 9 Cb 0.91 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2k0f h LYS 9 CO 0.08 0.49 -0.17 1.49 -2.27 0.00 0.00 179.45 179.07 2k0f h GLU 10 N 0.36 0.00 -0.31 1.90 4.81 -1.04 -0.87 114.58 119.43 2k0f h GLU 10 Ca 0.10 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 10 Cb 0.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 10 CO -0.01 0.17 -0.10 0.00 -0.73 0.00 0.00 179.01 178.34 2k0f h ALA 11 N 1.83 0.43 -0.69 2.92 0.00 -0.93 -3.22 119.26 119.60 2k0f h ALA 11 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 11 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 11 CO 0.02 0.27 0.13 0.35 0.00 0.00 0.00 179.25 180.03 2k0f h PHE 12 N 0.37 1.19 -1.48 0.00 3.04 -0.39 -2.32 116.94 117.35 2k0f h PHE 12 Ca 0.07 -0.16 0.44 0.00 3.98 0.00 0.00 57.97 62.31 2k0f h PHE 12 Cb 0.60 -0.33 -0.08 0.00 2.56 0.00 0.00 35.95 38.70 2k0f h PHE 12 CO 0.05 0.98 1.04 0.77 -2.02 0.00 0.00 178.31 179.14 2k0f h SER 13 N 1.06 0.09 0.38 0.41 0.02 -1.19 -0.61 113.55 113.70 2k0f h SER 13 Ca 0.21 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2k0f h SER 13 Cb 0.42 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2k0f h SER 13 CO 0.01 -0.03 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.53 2k0f h LEU 14 N 0.05 0.00 0.00 5.07 3.38 -1.47 -3.27 115.31 119.07 2k0f h LEU 14 Ca 0.75 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.72 2k0f h LEU 14 Cb 2.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.55 2k0f h LEU 14 CO -0.12 0.07 -0.38 0.49 0.09 0.00 0.00 178.44 178.59 2k0f n PHE 15 N -3.46 0.54 -2.26 1.13 3.01 -0.32 -4.86 117.46 111.24 2k0f n PHE 15 Ca -0.02 0.24 -0.40 0.00 1.01 0.00 0.00 57.45 58.28 2k0f n PHE 15 Cb 0.21 -0.56 -0.03 0.00 -0.01 0.00 0.00 39.48 39.09 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k0f s ASP 16 N -5.03 5.76 0.13 4.37 2.15 -0.69 -4.60 116.67 118.77 2k0f s ASP 16 Ca -0.11 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.07 2k0f s ASP 16 Cb 0.02 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 16 CO 0.17 -2.02 1.30 0.11 -0.17 0.00 0.00 175.17 174.56 2k0f h LYS 17 N 12.56 0.22 -0.14 4.34 1.79 -1.89 -3.20 116.57 130.26 2k0f h LYS 17 Ca -0.27 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 57.91 2k0f h LYS 17 Cb 1.12 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 2k0f h LYS 17 CO 1.21 1.04 0.04 -0.44 -1.08 0.00 0.00 179.45 180.22 2k0f h ASP 18 N 0.11 0.20 -3.13 0.86 3.32 -1.93 -3.48 116.42 112.38 2k0f h ASP 18 Ca -0.07 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 2k0f h ASP 18 Cb 1.65 -0.05 0.06 0.00 0.22 0.00 0.00 39.33 41.20 2k0f h ASP 18 CO 0.15 0.36 -0.27 0.61 -1.72 0.00 0.00 179.24 178.37 2k0f n GLY 19 N -0.57 0.24 0.14 2.75 0.00 -1.21 -4.99 105.19 101.54 2k0f n GLY 19 Ca -0.05 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.81 0.42 0.00 1.61 2.03 -1.93 -3.49 116.42 114.26 2k0f h ASP 20 Ca -0.21 -0.89 0.00 0.00 -0.73 0.00 0.00 57.03 55.20 2k0f h ASP 20 Cb 1.13 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 2k0f h ASP 20 CO 0.19 1.79 0.00 0.61 -1.03 0.00 0.00 179.24 180.80 2k0f n GLY 21 N 1.95 0.72 3.12 7.15 0.00 -1.26 -5.15 105.19 111.73 2k0f n GLY 21 Ca -0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 1.54 -0.28 2.61 2.01 -1.26 -3.62 115.64 116.65 2k0f s THR 22 Ca 0.00 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.09 2k0f s THR 22 Cb 0.00 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 2k0f s THR 22 CO 0.00 0.44 0.48 -0.63 -0.69 0.00 0.00 174.62 174.23 2k0f s ILE 23 N 0.39 5.08 0.34 1.82 1.01 0.74 -4.91 121.20 125.68 2k0f s ILE 23 Ca -0.13 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.24 2k0f s ILE 23 Cb -0.16 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2k0f s ILE 23 CO 0.05 0.04 0.53 0.42 0.00 0.00 0.00 174.94 175.98 2k0f s THR 24 N 2.27 4.81 0.44 2.92 -4.23 -1.26 -0.73 115.64 119.87 2k0f s THR 24 Ca 0.19 -0.63 0.12 0.00 -1.18 0.00 0.00 61.69 60.19 2k0f s THR 24 Cb -0.16 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.16 2k0f s THR 24 CO 0.10 -0.43 2.02 0.71 -0.54 0.00 0.00 174.62 176.48 2k0f h THR 25 N 0.78 1.11 -0.65 3.99 1.35 -1.91 -2.92 112.91 114.66 2k0f h THR 25 Ca -0.49 -0.44 -0.08 0.00 -0.55 0.00 0.00 66.41 64.85 2k0f h THR 25 Cb 1.23 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 2k0f h THR 25 CO 0.60 0.14 0.09 0.07 -0.25 0.00 0.00 175.52 176.16 2k0f h LYS 26 N 0.17 1.07 -0.36 4.72 2.10 -1.95 -1.06 116.57 121.26 2k0f h LYS 26 Ca 0.04 -0.29 -0.01 0.00 -2.00 0.00 0.00 60.65 58.39 2k0f h LYS 26 Cb 0.19 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 2k0f h LYS 26 CO 0.01 0.99 0.20 0.93 -2.00 0.00 0.00 179.45 179.58 2k0f h GLU 27 N 1.00 0.50 -0.61 0.07 5.08 -1.83 -1.04 114.58 117.76 2k0f h GLU 27 Ca 0.20 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 27 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 27 CO 0.02 0.42 -0.01 1.25 -1.00 0.00 0.00 179.01 179.68 2k0f h LEU 28 N 0.46 1.06 -0.58 1.33 5.85 -1.42 -1.84 115.31 120.18 2k0f h LEU 28 Ca 0.13 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2k0f h LEU 28 Cb 0.06 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2k0f h LEU 28 CO -0.02 1.11 0.23 1.23 -0.34 0.00 0.00 178.44 180.65 2k0f h GLY 29 N 0.98 0.93 0.87 3.75 0.00 -1.12 -0.76 103.07 107.72 2k0f h GLY 29 Ca 0.17 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 47.03 2k0f h GLY 29 CO 0.03 0.48 0.62 -0.84 0.00 0.00 0.00 176.54 176.84 2k0f h THR 30 N 0.80 1.16 -0.10 4.70 2.02 -0.76 0.97 112.91 121.70 2k0f h THR 30 Ca 0.19 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2k0f h THR 30 Cb 0.21 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2k0f h THR 30 CO -0.02 0.22 -0.04 0.58 0.37 0.00 0.00 175.52 176.63 2k0f h VAL 31 N 1.21 1.32 -0.34 3.16 2.07 -0.87 -2.32 116.25 120.46 2k0f h VAL 31 Ca 0.38 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.92 2k0f h VAL 31 Cb 0.01 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2k0f h VAL 31 CO -0.12 0.30 -0.11 0.24 0.02 0.00 0.00 177.57 177.89 2k0f h MET 32 N -0.16 -0.04 -0.49 1.57 2.86 -0.84 -0.75 114.93 117.08 2k0f h MET 32 Ca 0.02 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 2k0f h MET 32 Cb 0.49 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.08 2k0f h MET 32 CO 0.01 -0.03 0.01 0.00 1.06 0.00 0.00 176.91 177.96 2k0f h ARG 33 N -0.04 0.12 -0.47 1.72 3.08 -0.86 -0.45 114.38 117.47 2k0f h ARG 33 Ca 0.17 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2k0f h ARG 33 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2k0f h ARG 33 CO -0.38 0.08 0.23 0.77 -1.07 0.00 0.00 179.97 179.60 2k0f h SER 34 N 0.12 0.58 1.47 7.04 0.02 -1.08 -2.05 113.55 119.66 2k0f h SER 34 Ca 0.25 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 34 Cb 0.37 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2k0f h SER 34 CO -0.40 0.49 0.00 0.25 -1.14 0.00 0.00 176.83 176.03 2k0f h LEU 35 N 0.65 0.00 0.00 5.07 5.85 -0.73 -3.45 115.31 122.71 2k0f h LEU 35 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2k0f h LEU 35 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2k0f h LEU 35 CO -0.02 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.69 2k0f n GLY 36 N 0.96 2.18 3.71 3.75 0.00 -0.22 -5.07 105.19 110.51 2k0f n GLY 36 Ca 0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 4.54 -0.42 1.61 0.74 -1.13 -4.55 119.66 120.46 2k0f s GLN 37 Ca 0.00 1.41 -0.01 0.00 0.05 0.00 0.00 55.36 56.81 2k0f s GLN 37 Cb 0.00 -3.47 0.11 0.00 1.10 0.00 0.00 33.01 30.75 2k0f s GLN 37 CO 0.00 -0.08 0.20 1.21 -0.55 0.00 0.00 175.29 176.07 2k0f s ASN 38 N 1.02 5.13 1.03 6.67 2.47 -1.26 -3.65 114.94 126.35 2k0f s ASN 38 Ca 0.51 -2.18 -0.16 0.00 0.42 0.00 0.00 52.86 51.46 2k0f s ASN 38 Cb -0.21 -1.79 0.21 0.00 -1.45 0.00 0.00 41.25 38.02 2k0f s ASN 38 CO 0.27 -0.48 1.19 -2.16 -3.72 0.00 0.00 177.10 172.20 2k0f s PRO 39 N 0.92 0.13 0.76 0.43 0.04 -1.26 -5.06 135.00 130.95 2k0f s PRO 39 Ca 0.10 -0.09 -0.11 0.00 0.04 0.00 0.00 61.00 60.94 2k0f s PRO 39 Cb -0.22 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2k0f s PRO 39 CO -0.05 -2.81 1.13 0.95 0.04 0.00 0.00 177.00 176.26 2k0f s THR 40 N -3.40 2.49 -0.01 1.26 -4.23 -1.26 -4.99 115.64 105.50 2k0f s THR 40 Ca 0.70 0.10 0.13 0.00 -1.18 0.00 0.00 61.69 61.44 2k0f s THR 40 Cb -0.09 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 2k0f s THR 40 CO 0.54 -0.19 1.44 -0.33 -0.54 0.00 0.00 174.62 175.55 2k0f h GLU 41 N -0.86 0.00 -0.00 3.99 3.07 -1.98 -2.81 114.58 115.98 2k0f h GLU 41 Ca -0.46 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.18 2k0f h GLU 41 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2k0f h GLU 41 CO 0.65 0.64 -0.93 0.00 -1.40 0.00 0.00 179.01 177.96 2k0f h ALA 42 N 1.36 0.38 -0.74 3.43 0.00 -1.96 -1.14 119.26 120.59 2k0f h ALA 42 Ca -0.01 -0.71 0.09 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 42 Cb 1.42 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2k0f h ALA 42 CO 0.08 0.82 0.39 0.93 0.00 0.00 0.00 179.25 181.48 2k0f h GLU 43 N 0.22 0.65 0.00 0.00 5.08 -1.95 -1.53 114.58 117.05 2k0f h GLU 43 Ca -0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 43 Cb 1.57 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2k0f h GLU 43 CO 0.16 0.43 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.36 2k0f h LEU 44 N 0.67 0.00 -0.56 1.33 3.38 -1.23 -2.69 115.31 116.22 2k0f h LEU 44 Ca 0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 2k0f h LEU 44 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 44 CO -0.24 0.17 -0.56 -0.61 0.09 0.00 0.00 178.44 177.29 2k0f h GLN 45 N 0.00 0.48 -0.35 1.13 4.15 -0.24 -2.47 115.11 117.80 2k0f h GLN 45 Ca -0.00 -0.31 -0.16 0.00 0.77 0.00 0.00 58.65 58.95 2k0f h GLN 45 Cb 0.79 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 2k0f h GLN 45 CO 0.02 0.91 -0.41 0.22 -1.93 0.00 0.00 178.83 177.64 2k0f h ASP 46 N 0.37 0.94 -0.82 -0.69 3.58 -1.21 0.56 116.42 119.15 2k0f h ASP 46 Ca 0.01 -0.44 0.01 0.00 0.42 0.00 0.00 57.03 57.02 2k0f h ASP 46 Cb 1.09 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.83 2k0f h ASP 46 CO 0.10 1.22 0.54 0.24 -2.88 0.00 0.00 179.24 178.46 2k0f h MET 47 N 0.71 1.09 -0.07 0.28 2.86 -1.49 -2.82 114.93 115.48 2k0f h MET 47 Ca 0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 47 Cb 1.00 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2k0f h MET 47 CO 0.10 0.72 -0.23 0.82 1.06 0.00 0.00 176.91 179.37 2k0f h ILE 48 N 1.12 1.42 -0.94 -1.22 2.04 -0.82 -3.40 117.51 115.71 2k0f h ILE 48 Ca 0.30 -1.61 0.22 0.00 1.00 0.00 0.00 64.86 64.77 2k0f h ILE 48 Cb -0.12 2.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 2k0f h ILE 48 CO -0.06 0.46 0.62 -1.13 0.00 0.00 0.00 178.15 178.03 2k0f h ASN 49 N -0.20 0.41 0.42 1.72 -1.24 0.36 -0.56 115.58 116.49 2k0f h ASN 49 Ca -0.01 0.05 -0.19 0.00 0.71 0.00 0.00 56.30 56.86 2k0f h ASN 49 Cb 0.86 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 2k0f h ASN 49 CO 0.05 0.15 -0.81 1.05 -1.29 0.00 0.00 177.43 176.58 2k0f h GLU 50 N 0.40 0.30 -0.03 6.67 4.11 -1.76 -3.27 114.58 121.00 2k0f h GLU 50 Ca 0.50 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2k0f h GLU 50 Cb 1.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2k0f h GLU 50 CO -0.20 0.96 -0.00 1.33 0.07 0.00 0.00 179.01 181.17 2k0f n VAL 51 N -3.75 0.00 -2.80 -1.06 0.24 -0.32 -4.90 118.33 105.74 2k0f n VAL 51 Ca -0.04 -0.43 -0.38 0.00 -2.04 0.00 0.00 64.34 61.44 2k0f n VAL 51 Cb 0.76 1.24 -0.06 0.00 -1.47 0.00 0.00 33.84 34.30 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 -2.00 7.45 -0.03 -1.34 -1.08 -0.58 -4.71 116.67 114.37 2k0f s ASP 52 Ca 0.31 1.85 0.01 0.00 -0.52 0.00 0.00 52.55 54.19 2k0f s ASP 52 Cb 0.20 -2.58 -0.26 0.00 -1.46 0.00 0.00 42.92 38.83 2k0f s ASP 52 CO 0.31 0.04 0.70 0.00 0.52 0.00 0.00 175.17 176.75 2k0f h ALA 53 N 3.64 0.45 0.16 3.66 0.00 -1.90 -3.33 119.26 121.94 2k0f h ALA 53 Ca -0.46 -1.27 -0.33 0.00 0.00 0.00 0.00 54.91 52.85 2k0f h ALA 53 Cb 1.20 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2k0f h ALA 53 CO 0.66 1.31 -1.60 -0.44 0.00 0.00 0.00 179.25 179.18 2k0f h ASP 54 N 0.05 0.54 -2.27 0.00 3.32 -1.94 -3.48 116.42 112.64 2k0f h ASP 54 Ca -0.29 -0.74 -0.07 0.00 0.02 0.00 0.00 57.03 55.95 2k0f h ASP 54 Cb 2.01 -0.18 0.03 0.00 0.22 0.00 0.00 39.33 41.42 2k0f h ASP 54 CO 0.12 1.61 -0.14 0.61 -1.72 0.00 0.00 179.24 179.72 2k0f n GLY 55 N 1.74 0.51 0.12 2.75 0.00 -1.25 -4.97 105.19 104.10 2k0f n GLY 55 Ca -0.19 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N -0.48 0.35 0.00 1.61 -1.07 -1.90 -3.50 115.58 110.59 2k0f h ASN 56 Ca -0.12 -0.70 0.00 0.00 0.07 0.00 0.00 56.30 55.55 2k0f h ASN 56 Cb 1.07 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.21 2k0f h ASN 56 CO 0.11 1.62 0.00 0.61 0.07 0.00 0.00 177.43 179.84 2k0f n GLY 57 N 1.85 1.08 2.96 9.14 0.00 -1.26 -4.97 105.19 113.99 2k0f n GLY 57 Ca -0.26 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 1.42 -0.13 2.61 -4.23 -1.26 -4.73 115.64 107.32 2k0f s THR 58 Ca 0.00 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.49 2k0f s THR 58 Cb 0.00 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 2k0f s THR 58 CO 0.00 0.25 0.94 -0.51 -0.54 0.00 0.00 174.62 174.76 2k0f s ILE 59 N 1.51 4.82 0.49 2.99 2.07 0.09 -4.78 121.20 128.41 2k0f s ILE 59 Ca 0.01 1.89 0.08 0.00 -1.41 0.00 0.00 60.65 61.23 2k0f s ILE 59 Cb -0.15 -4.25 0.04 0.00 0.13 0.00 0.00 42.46 38.23 2k0f s ILE 59 CO -0.09 0.02 0.60 -1.81 -1.91 0.00 0.00 174.94 171.75 2k0f s ASP 60 N 1.10 5.23 0.18 4.50 1.01 -1.26 -0.19 116.67 127.24 2k0f s ASP 60 Ca 0.45 -0.73 -0.09 0.00 0.71 0.00 0.00 52.55 52.88 2k0f s ASP 60 Cb -0.18 -0.17 0.08 0.00 1.01 0.00 0.00 42.92 43.67 2k0f s ASP 60 CO 0.16 -0.99 1.68 0.15 0.21 0.00 0.00 175.17 176.37 2k0f h PHE 61 N 0.55 1.14 0.00 4.23 3.57 -1.97 -1.57 116.94 122.89 2k0f h PHE 61 Ca -0.36 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 61 Cb 1.28 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 61 CO 0.50 0.97 0.00 -1.00 -2.23 0.00 0.00 178.31 176.55 2k0f h PRO 62 N 0.98 0.00 0.21 6.41 0.13 -1.97 -0.67 132.00 137.09 2k0f h PRO 62 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 2k0f h PRO 62 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2k0f h PRO 62 CO 0.01 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 178.61 2k0f h GLU 63 N 0.00 -0.27 -0.60 0.86 5.08 -1.78 -1.95 114.58 115.91 2k0f h GLU 63 Ca 0.00 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 63 Cb 0.65 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 63 CO 0.00 -0.06 0.16 0.35 -1.00 0.00 0.00 179.01 178.45 2k0f h PHE 64 N -1.04 0.26 -0.58 4.33 3.57 -1.32 -2.15 116.94 120.02 2k0f h PHE 64 Ca -0.03 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2k0f h PHE 64 Cb 0.33 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.95 2k0f h PHE 64 CO 0.03 0.01 -0.54 1.25 -2.23 0.00 0.00 178.31 176.82 2k0f h LEU 65 N 0.30 -1.87 -1.34 0.59 5.85 -1.24 -2.84 115.31 114.76 2k0f h LEU 65 Ca 0.31 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 59.29 2k0f h LEU 65 Cb 0.45 0.79 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2k0f h LEU 65 CO -0.37 -0.35 0.29 0.74 -0.34 0.00 0.00 178.44 178.41 2k0f h THR 66 N -0.28 1.17 0.48 1.05 2.02 -0.93 -0.52 112.91 115.91 2k0f h THR 66 Ca 0.11 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 2k0f h THR 66 Cb 0.55 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2k0f h THR 66 CO -0.69 0.19 -0.24 -0.03 0.37 0.00 0.00 175.52 175.11 2k0f h MET 67 N 0.75 -0.64 0.00 6.66 1.85 -1.38 -0.88 114.93 121.29 2k0f h MET 67 Ca 0.19 0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 59.27 2k0f h MET 67 Cb 0.03 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 2k0f h MET 67 CO -0.03 -0.43 -0.29 0.52 -0.40 0.00 0.00 176.91 176.28 2k0f h MET 68 N -0.66 0.00 0.00 0.39 2.07 -1.31 -3.05 114.93 112.37 2k0f h MET 68 Ca -0.06 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 2k0f h MET 68 Cb 0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.25 2k0f h MET 68 CO 0.10 0.29 -0.04 0.00 1.07 0.00 0.00 176.91 178.32 2k0f h ALA 69 N 1.71 0.99 -2.65 6.32 0.00 -0.98 -3.45 119.26 121.20 2k0f h ALA 69 Ca -0.00 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 69 Cb 0.96 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 69 CO 0.04 0.06 0.61 0.50 0.00 0.00 0.00 179.25 180.46 2k0f s ARG 70 N -3.43 4.43 -0.15 0.00 3.52 -0.35 -5.03 118.95 117.93 2k0f s ARG 70 Ca 0.04 1.96 -0.07 0.00 -0.13 0.00 0.00 55.73 57.53 2k0f s ARG 70 Cb 0.07 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2k0f s ARG 70 CO 0.62 -0.20 0.10 0.21 -0.81 0.00 0.00 175.30 175.21 2k0f s LYS 71 N 0.01 3.70 0.00 5.12 2.20 -1.26 -5.01 119.74 124.50 2k0f s LYS 71 Ca 0.56 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2k0f s LYS 71 Cb -0.34 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2k0f s LYS 71 CO 0.36 0.52 0.00 -1.33 -0.36 0.00 0.00 175.35 174.55 2k0f n MET 72 N 2.78 2.27 -2.69 4.03 2.81 -1.26 -5.10 117.12 119.96 2k0f n MET 72 Ca -0.18 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.33 2k0f n MET 72 Cb 0.53 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.99 2k0f n MET 72 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2k0f s LYS 73 N -0.81 4.54 0.01 0.03 2.47 -1.26 -4.87 119.74 119.85 2k0f s LYS 73 Ca 0.00 1.44 -0.02 0.00 -1.56 0.00 0.00 55.97 55.84 2k0f s LYS 73 Cb 0.00 -2.85 -0.00 0.00 -1.46 0.00 0.00 37.83 33.52 2k0f s LYS 73 CO 0.00 0.21 0.18 -0.25 0.16 0.00 0.00 175.35 175.65 2k0f n ASP 74 N 0.61 -0.06 0.06 1.43 9.92 -1.26 -1.82 116.55 125.44 2k0f n ASP 74 Ca 0.02 0.19 -0.13 0.00 -0.53 0.00 0.00 54.79 54.34 2k0f n ASP 74 Cb 0.49 -0.06 -0.09 0.00 -0.64 0.00 0.00 41.12 40.82 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2k0f h THR 75 N 0.00 1.06 -0.38 -3.53 2.02 -2.00 -1.80 112.91 108.27 2k0f h THR 75 Ca 0.01 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.33 2k0f h THR 75 Cb 0.02 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2k0f h THR 75 CO -0.05 0.20 0.25 0.44 0.37 0.00 0.00 175.52 176.73 2k0f h ASP 76 N -0.58 0.42 0.54 4.18 5.19 -1.89 -2.37 116.42 121.91 2k0f h ASP 76 Ca -0.02 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.32 2k0f h ASP 76 Cb 0.46 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2k0f h ASP 76 CO 0.03 0.30 -0.29 0.28 -3.12 0.00 0.00 179.24 176.43 2k0f h SER 77 N 0.49 0.00 0.14 6.45 0.02 -0.54 -1.25 113.55 118.86 2k0f h SER 77 Ca 0.14 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 2k0f h SER 77 Cb -0.02 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.53 2k0f h SER 77 CO -0.03 0.29 -0.86 -0.33 -1.14 0.00 0.00 176.83 174.76 2k0f h GLU 78 N 0.00 0.29 0.00 3.45 4.39 -1.18 -3.30 114.58 118.23 2k0f h GLU 78 Ca -0.00 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2k0f h GLU 78 Cb 0.65 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2k0f h GLU 78 CO 0.04 1.23 0.00 -1.91 -1.16 0.00 0.00 179.01 177.21 2k0f n GLU 79 N -4.11 0.16 -0.16 2.33 4.07 -0.93 -1.46 120.64 120.53 2k0f n GLU 79 Ca -0.15 0.42 -0.11 0.00 -0.06 0.00 0.00 57.16 57.26 2k0f n GLU 79 Cb 0.82 -1.82 -0.00 0.00 -0.06 0.00 0.00 31.44 30.38 2k0f n GLU 79 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2k0f h GLU 80 N 0.00 0.91 0.00 5.31 4.81 -1.31 -0.55 114.58 123.75 2k0f h GLU 80 Ca 0.00 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 80 Cb 0.31 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 80 CO 0.00 0.98 -0.55 0.82 -0.73 0.00 0.00 179.01 179.53 2k0f h ILE 81 N 0.76 1.26 -0.36 2.32 2.04 -1.37 0.01 117.51 122.17 2k0f h ILE 81 Ca 0.13 -1.97 -0.07 0.00 1.00 0.00 0.00 64.86 63.94 2k0f h ILE 81 Cb 0.63 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 2k0f h ILE 81 CO 0.04 0.54 -0.09 0.03 0.00 0.00 0.00 178.15 178.67 2k0f h ARG 82 N 0.00 0.60 -0.17 2.37 3.08 -1.26 -0.82 114.38 118.18 2k0f h ARG 82 Ca -0.01 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.70 2k0f h ARG 82 Cb 1.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2k0f h ARG 82 CO 0.07 0.69 -0.60 0.93 -1.07 0.00 0.00 179.97 179.99 2k0f h GLU 83 N 0.56 0.57 -0.15 0.04 4.39 -0.83 0.37 114.58 119.53 2k0f h GLU 83 Ca 0.10 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2k0f h GLU 83 Cb 0.49 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 83 CO 0.03 1.00 0.07 0.00 -1.16 0.00 0.00 179.01 178.95 2k0f h ALA 84 N 0.91 0.19 -0.47 3.43 0.00 -0.98 -2.81 119.26 119.53 2k0f h ALA 84 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 84 Cb 1.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 84 CO 0.11 -0.25 0.06 0.35 0.00 0.00 0.00 179.25 179.53 2k0f h PHE 85 N 0.12 0.76 -0.16 0.00 3.57 -1.05 -2.25 116.94 117.92 2k0f h PHE 85 Ca 0.05 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2k0f h PHE 85 Cb 0.12 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2k0f h PHE 85 CO -0.03 0.68 0.17 -0.09 -2.23 0.00 0.00 178.31 176.81 2k0f h ARG 86 N 0.70 0.00 0.00 1.11 2.43 0.00 -0.77 114.38 117.86 2k0f h ARG 86 Ca 0.15 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 86 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2k0f h ARG 86 CO 0.01 0.00 -0.83 0.28 -1.51 0.00 0.00 179.97 177.92 2k0f h VAL 87 N 0.00 0.65 0.00 0.20 2.07 -1.24 -3.37 116.25 114.56 2k0f h VAL 87 Ca 0.08 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 2k0f h VAL 87 Cb 0.42 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2k0f h VAL 87 CO -0.00 0.37 -0.11 -0.26 0.02 0.00 0.00 177.57 177.59 2k0f h PHE 88 N 0.00 0.00 -3.23 1.57 -1.00 -1.02 -3.43 116.94 109.83 2k0f h PHE 88 Ca -0.06 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.17 2k0f h PHE 88 Cb 1.41 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.95 2k0f h PHE 88 CO 0.00 0.92 0.57 0.34 -1.61 0.00 0.00 178.31 178.52 2k0f s ASP 89 N -6.19 7.19 -0.15 2.17 2.15 -0.68 -4.73 116.67 116.44 2k0f s ASP 89 Ca -0.18 1.71 -0.13 0.00 0.43 0.00 0.00 52.55 54.38 2k0f s ASP 89 Cb -0.02 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 89 CO 0.60 -0.45 0.11 0.50 -0.17 0.00 0.00 175.17 175.75 2k0f h LYS 90 N 7.11 0.00 0.00 4.34 1.63 -1.86 -3.45 116.57 124.33 2k0f h LYS 90 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2k0f h LYS 90 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2k0f h LYS 90 CO 0.84 0.40 0.00 -0.40 -3.45 0.00 0.00 179.45 176.84 2k0f n ASP 91 N -4.61 0.00 0.00 4.20 5.68 -1.26 -4.94 116.55 115.62 2k0f n ASP 91 Ca -0.12 0.97 0.00 0.00 -0.50 0.00 0.00 54.79 55.14 2k0f n ASP 91 Cb 0.34 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N -0.97 -0.08 0.10 6.12 0.00 -1.26 -5.02 105.19 104.08 2k0f n GLY 92 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.47 1.61 -1.07 -1.97 -3.48 115.58 110.20 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.76 0.00 0.61 0.07 0.00 0.00 177.43 178.87 2k0f n GLY 94 N 1.08 0.90 2.72 9.14 0.00 -1.26 -5.07 105.19 112.70 2k0f n GLY 94 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.47 0.02 -0.34 1.61 1.51 -1.26 -4.56 117.35 111.87 2k0f s TYR 95 Ca 0.00 0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 56.04 2k0f s TYR 95 Cb 0.00 -0.38 0.02 0.00 -0.11 0.00 0.00 41.96 41.48 2k0f s TYR 95 CO 0.00 -0.17 1.04 0.42 -1.11 0.00 0.00 175.55 175.73 2k0f s ILE 96 N 1.85 4.52 0.68 2.71 1.01 -0.21 -4.88 121.20 126.88 2k0f s ILE 96 Ca 0.01 1.58 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 2k0f s ILE 96 Cb -0.12 -4.40 0.09 0.00 0.01 0.00 0.00 42.46 38.04 2k0f s ILE 96 CO -0.03 -0.51 0.94 -0.55 0.00 0.00 0.00 174.94 174.79 2k0f s SER 97 N 1.75 4.63 0.05 3.58 0.15 -1.26 -2.36 113.70 120.24 2k0f s SER 97 Ca 0.44 -0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.67 2k0f s SER 97 Cb -0.12 -0.40 -0.17 0.00 -1.71 0.00 0.00 66.02 63.62 2k0f s SER 97 CO 0.17 -1.65 1.54 0.00 1.20 0.00 0.00 173.24 174.50 2k0f h ALA 98 N -0.40 -0.34 -0.16 5.45 0.00 -1.96 -1.26 119.26 120.60 2k0f h ALA 98 Ca -0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 98 Cb 1.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2k0f h ALA 98 CO 0.46 -0.62 -0.27 0.00 0.00 0.00 0.00 179.25 178.81 2k0f h ALA 99 N 0.25 1.25 -0.07 0.00 0.00 -1.97 0.21 119.26 118.92 2k0f h ALA 99 Ca -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k0f h ALA 99 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k0f h ALA 99 CO 0.06 0.50 0.05 0.93 0.00 0.00 0.00 179.25 180.78 2k0f h GLU 100 N 0.26 0.10 -0.41 0.00 5.08 -1.90 0.24 114.58 117.96 2k0f h GLU 100 Ca 0.04 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 100 Cb 0.63 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2k0f h GLU 100 CO 0.05 0.11 0.03 1.25 -1.00 0.00 0.00 179.01 179.44 2k0f h LEU 101 N 0.07 0.60 0.85 1.33 5.85 -0.75 0.84 115.31 124.09 2k0f h LEU 101 Ca 0.03 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2k0f h LEU 101 Cb 0.03 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.91 2k0f h LEU 101 CO -0.01 0.65 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.25 2k0f h ARG 102 N 0.61 -1.10 -0.57 1.25 2.43 -0.18 -2.77 114.38 114.05 2k0f h ARG 102 Ca 0.13 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.48 2k0f h ARG 102 Cb 0.34 0.25 -0.11 0.00 -0.42 0.00 0.00 29.97 30.03 2k0f h ARG 102 CO 0.01 -0.73 -0.27 0.45 -1.51 0.00 0.00 179.97 177.92 2k0f h HIS 103 N -1.30 -0.71 -0.18 2.20 3.86 -0.52 -1.99 115.15 116.51 2k0f h HIS 103 Ca -0.12 0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.05 2k0f h HIS 103 Cb 0.87 0.40 -0.00 0.00 1.06 0.00 0.00 27.41 29.74 2k0f h HIS 103 CO 0.00 -0.34 -0.31 -0.24 0.86 0.00 0.00 177.93 177.90 2k0f h VAL 104 N -0.12 1.34 -0.77 2.45 3.04 -0.84 -1.24 116.25 120.11 2k0f h VAL 104 Ca 0.25 -1.54 0.15 0.00 -1.01 0.00 0.00 66.70 64.55 2k0f h VAL 104 Cb 0.52 1.89 -0.10 0.00 -2.01 0.00 0.00 31.29 31.60 2k0f h VAL 104 CO -0.65 0.47 0.30 0.24 -1.01 0.00 0.00 177.57 176.93 2k0f h MET 105 N 0.18 0.42 0.00 4.17 2.86 -1.50 -1.96 114.93 119.10 2k0f h MET 105 Ca 0.01 -0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 57.39 2k0f h MET 105 Cb 0.90 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2k0f h MET 105 CO 0.07 0.28 -1.19 1.15 1.06 0.00 0.00 176.91 178.28 2k0f h THR 106 N 0.43 1.49 0.00 2.22 2.02 -1.19 -0.04 112.91 117.85 2k0f h THR 106 Ca 0.43 -3.23 0.00 0.00 0.77 0.00 0.00 66.41 64.38 2k0f h THR 106 Cb 0.68 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2k0f h THR 106 CO -0.42 0.85 0.00 0.59 0.37 0.00 0.00 175.52 176.91 2k0f n ASN 107 N -3.28 0.00 -0.09 4.18 3.02 -0.48 -3.19 115.26 115.42 2k0f n ASN 107 Ca -0.05 0.38 -0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2k0f n ASN 107 Cb 0.97 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 2k0f n ASN 107 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2k0f n LEU 108 N -1.45 1.83 0.00 3.41 7.94 -0.74 -3.26 117.00 124.73 2k0f n LEU 108 Ca 0.06 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 2k0f n LEU 108 Cb 0.20 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.24 2k0f n LEU 108 CO 0.16 -0.14 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2k0f n GLY 109 N 1.53 0.00 3.82 -3.96 0.00 -0.85 -4.95 105.19 100.78 2k0f n GLY 109 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 4.21 -0.15 1.61 0.41 -0.08 -5.00 118.70 119.71 2k0f s GLU 110 Ca 0.00 0.78 0.02 0.00 -0.41 0.00 0.00 54.97 55.36 2k0f s GLU 110 Cb 0.00 -3.03 0.01 0.00 -1.78 0.00 0.00 34.13 29.33 2k0f s GLU 110 CO 0.00 0.50 -0.21 0.15 -0.49 0.00 0.00 175.26 175.20 2k0f s LYS 111 N -1.66 3.03 0.14 1.61 3.01 -1.26 -3.72 119.74 120.89 2k0f s LYS 111 Ca 0.37 -0.84 -0.17 0.00 -1.01 0.00 0.00 55.97 54.32 2k0f s LYS 111 Cb -0.18 -2.47 0.04 0.00 -1.01 0.00 0.00 37.83 34.21 2k0f s LYS 111 CO 0.21 -0.04 0.45 -0.48 0.51 0.00 0.00 175.35 175.99 2k0f s LEU 112 N 0.88 0.19 0.32 3.17 2.34 -1.26 -5.12 118.68 119.20 2k0f s LEU 112 Ca -0.05 -0.28 0.02 0.00 0.06 0.00 0.00 54.13 53.88 2k0f s LEU 112 Cb -0.15 2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 47.45 2k0f s LEU 112 CO -0.03 -0.89 0.50 0.42 -1.06 0.00 0.00 176.35 175.28 2k0f s THR 113 N -3.80 5.11 0.28 5.48 -4.23 -1.26 -4.98 115.64 112.24 2k0f s THR 113 Ca 0.03 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 2k0f s THR 113 Cb 0.01 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.21 2k0f s THR 113 CO -0.11 -0.49 1.90 0.44 -0.54 0.00 0.00 174.62 175.81 2k0f h ASP 114 N 0.85 0.91 -0.95 3.99 5.19 -2.00 -0.74 116.42 123.67 2k0f h ASP 114 Ca -0.50 -0.08 0.26 0.00 -0.62 0.00 0.00 57.03 56.08 2k0f h ASP 114 Cb 1.22 -0.23 -0.14 0.00 0.18 0.00 0.00 39.33 40.37 2k0f h ASP 114 CO 0.61 0.75 0.47 -0.33 -3.12 0.00 0.00 179.24 177.62 2k0f h GLU 115 N 1.01 0.38 0.09 3.56 4.39 -1.99 -0.74 114.58 121.27 2k0f h GLU 115 Ca 0.25 -0.02 -0.30 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 115 Cb 0.06 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2k0f h GLU 115 CO -0.04 0.25 -1.54 0.93 -1.16 0.00 0.00 179.01 177.45 2k0f h GLU 116 N 0.39 0.18 -0.43 2.33 5.08 -1.77 -3.00 114.58 117.36 2k0f h GLU 116 Ca 0.63 -0.31 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 2k0f h GLU 116 Cb 1.30 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 116 CO -0.56 1.00 0.13 0.28 -1.00 0.00 0.00 179.01 178.86 2k0f h VAL 117 N 0.05 0.83 -0.58 3.13 2.07 -0.65 -1.74 116.25 119.37 2k0f h VAL 117 Ca -0.24 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2k0f h VAL 117 Cb 1.99 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2k0f h VAL 117 CO 0.14 0.05 0.29 -0.78 0.02 0.00 0.00 177.57 177.29 2k0f h ASP 118 N 0.28 0.40 -0.52 0.57 3.58 -1.20 -1.17 116.42 118.35 2k0f h ASP 118 Ca 0.20 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.75 2k0f h ASP 118 Cb 0.21 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 2k0f h ASP 118 CO -0.23 0.26 0.24 -0.08 -2.88 0.00 0.00 179.24 176.55 2k0f h GLU 119 N 0.54 0.45 -0.30 0.28 4.81 -1.26 -0.54 114.58 118.56 2k0f h GLU 119 Ca 0.26 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 119 Cb 0.20 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 119 CO -0.20 0.30 0.08 1.98 -0.73 0.00 0.00 179.01 180.44 2k0f h MET 120 N 0.46 0.19 -0.18 1.92 4.05 -1.19 -3.19 114.93 116.99 2k0f h MET 120 Ca 0.24 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.51 2k0f h MET 120 Cb 0.18 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 2k0f h MET 120 CO -0.19 0.13 -0.46 0.82 0.23 0.00 0.00 176.91 177.44 2k0f h ILE 121 N 0.19 1.32 -0.15 1.77 2.04 -0.60 -2.85 117.51 119.23 2k0f h ILE 121 Ca 0.14 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.37 2k0f h ILE 121 Cb 0.13 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2k0f h ILE 121 CO -0.17 0.51 0.10 -0.09 0.00 0.00 0.00 178.15 178.51 2k0f h ARG 122 N 0.36 0.08 0.07 2.37 2.43 -1.15 0.07 114.38 118.61 2k0f h ARG 122 Ca 0.02 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.94 2k0f h ARG 122 Cb 0.95 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2k0f h ARG 122 CO 0.08 0.05 -1.10 1.49 -1.51 0.00 0.00 179.97 178.98 2k0f h GLU 123 N 0.08 0.22 0.08 0.20 4.81 -1.50 -3.31 114.58 115.16 2k0f h GLU 123 Ca 0.07 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 123 Cb 0.17 0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 123 CO -0.01 1.12 -0.52 0.00 -0.73 0.00 0.00 179.01 178.88 2k0f h ALA 124 N 0.74 -0.05 -2.16 2.92 0.00 -1.31 -3.46 119.26 115.94 2k0f h ALA 124 Ca -0.09 -0.61 -0.56 0.00 0.00 0.00 0.00 54.91 53.65 2k0f h ALA 124 Cb 1.81 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2k0f h ALA 124 CO 0.17 0.24 1.24 0.34 0.00 0.00 0.00 179.25 181.25 2k0f s ASP 125 N -6.69 6.23 -0.14 0.00 2.15 -0.03 -4.91 116.67 113.28 2k0f s ASP 125 Ca -0.15 2.12 -0.24 0.00 0.43 0.00 0.00 52.55 54.70 2k0f s ASP 125 Cb -0.00 -2.53 -0.22 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 125 CO 0.78 -1.30 0.60 0.40 -0.17 0.00 0.00 175.17 175.48 2k0f h ILE 126 N 6.12 1.45 0.00 4.11 2.04 -1.90 -3.44 117.51 125.89 2k0f h ILE 126 Ca -0.41 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.30 2k0f h ILE 126 Cb 1.20 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 2k0f h ILE 126 CO 0.97 0.49 0.00 -0.90 0.00 0.00 0.00 178.15 178.71 2k0f n ASP 127 N -4.61 0.00 0.00 1.72 5.68 -1.26 -5.02 116.55 113.06 2k0f n ASP 127 Ca -0.11 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 2k0f n ASP 127 Cb 0.44 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 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 1.49 0.00 0.08 6.12 0.00 -1.26 -5.04 105.19 106.58 2k0f n GLY 128 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.06 0.00 1.61 3.04 -1.96 -3.49 116.42 115.68 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 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 2k0f h ASP 129 CO 0.00 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 178.89 2k0f n GLY 130 N 1.53 0.91 2.90 7.15 0.00 -1.26 -5.07 105.19 111.35 2k0f n GLY 130 Ca -0.13 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.56 1.34 -0.39 1.61 -0.21 -1.26 -4.83 119.66 115.36 2k0f s GLN 131 Ca 0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.89 2k0f s GLN 131 Cb 0.00 -1.41 0.00 0.00 1.00 0.00 0.00 33.01 32.60 2k0f s GLN 131 CO 0.00 -0.22 1.49 0.08 -2.12 0.00 0.00 175.29 174.51 2k0f s VAL 132 N 1.57 3.82 1.04 1.09 1.01 -1.00 -4.84 120.40 123.10 2k0f s VAL 132 Ca 0.02 0.84 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 2k0f s VAL 132 Cb -0.13 -4.09 0.22 0.00 0.00 0.00 0.00 36.38 32.38 2k0f s VAL 132 CO -0.06 -0.69 1.23 0.54 0.00 0.00 0.00 175.10 176.13 2k0f s ASN 133 N 4.33 2.40 0.29 3.32 2.20 -1.26 -1.04 114.94 125.18 2k0f s ASN 133 Ca 0.65 0.45 0.08 0.00 -0.94 0.00 0.00 52.86 53.10 2k0f s ASN 133 Cb -0.15 -0.60 0.44 0.00 -2.00 0.00 0.00 41.25 38.93 2k0f s ASN 133 CO 0.33 -3.19 1.67 0.22 -2.94 0.00 0.00 177.10 173.19 2k0f h TYR 134 N -1.95 0.16 -0.07 1.54 3.20 -1.97 -0.35 116.97 117.53 2k0f h TYR 134 Ca -0.45 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.22 2k0f h TYR 134 Cb 1.26 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2k0f h TYR 134 CO -1.38 0.60 -0.62 0.93 -1.64 0.00 0.00 178.16 176.06 2k0f h GLU 135 N 0.11 0.25 -0.16 1.82 5.08 -1.98 0.19 114.58 119.89 2k0f h GLU 135 Ca 0.00 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2k0f h GLU 135 Cb 0.91 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2k0f h GLU 135 CO 0.07 0.78 -0.47 0.93 -1.00 0.00 0.00 179.01 179.33 2k0f h GLU 136 N 0.18 0.41 0.07 2.33 5.08 -1.84 -3.17 114.58 117.64 2k0f h GLU 136 Ca -0.01 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 136 Cb 1.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2k0f h GLU 136 CO 0.10 0.80 -0.03 0.35 -1.00 0.00 0.00 179.01 179.22 2k0f h PHE 137 N 0.33 -0.09 -0.26 4.33 3.04 -0.93 -3.13 116.94 120.24 2k0f h PHE 137 Ca 0.02 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.99 2k0f h PHE 137 Cb 0.95 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 2k0f h PHE 137 CO 0.03 0.40 0.10 -0.24 -2.02 0.00 0.00 178.31 176.58 2k0f h VAL 138 N -0.62 0.95 -0.41 1.41 3.04 -0.67 -2.28 116.25 117.66 2k0f h VAL 138 Ca -0.01 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.57 2k0f h VAL 138 Cb 0.52 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2k0f h VAL 138 CO 0.02 0.04 0.12 1.56 -1.01 0.00 0.00 177.57 178.30 2k0f h GLN 139 N 0.23 0.60 0.00 4.17 4.20 -1.70 -2.59 115.11 120.02 2k0f h GLN 139 Ca 0.11 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2k0f h GLN 139 Cb 0.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2k0f h GLN 139 CO -0.11 0.54 -0.26 1.98 -0.67 0.00 0.00 178.83 180.31 2k0f h MET 140 N 0.59 0.00 -0.45 1.46 4.05 -1.35 -2.22 114.93 117.01 2k0f h MET 140 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2k0f h MET 140 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2k0f h MET 140 CO -0.01 0.26 0.00 -1.33 0.23 0.00 0.00 176.91 176.07 2k0f n MET 141 N -4.04 2.39 0.00 0.39 2.81 -1.00 -5.10 117.12 112.57 2k0f n MET 141 Ca -0.02 -2.13 0.13 0.00 -1.81 0.00 0.00 57.70 53.87 2k0f n MET 141 Cb 0.33 -1.49 0.35 0.00 -0.71 0.00 0.00 33.22 31.70 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89