#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 0.28 -0.06 -0.78 5.08 -2.05 -2.45 114.58 114.60 2k0f h GLU 2 Ca 0.00 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 2 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2k0f h GLU 2 CO 0.00 0.18 -0.59 0.93 -1.00 0.00 0.00 179.01 178.54 2k0f h GLU 3 N 0.29 0.20 0.06 2.33 3.07 -2.04 -2.13 114.58 116.35 2k0f h GLU 3 Ca 0.49 -0.13 -0.32 0.00 -0.50 0.00 0.00 59.36 58.89 2k0f h GLU 3 Cb 0.90 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 2k0f h GLU 3 CO -0.56 0.73 -1.76 1.96 -1.40 0.00 0.00 179.01 177.98 2k0f h GLN 4 N 0.15 0.13 0.02 2.33 7.50 -1.88 -1.18 115.11 122.19 2k0f h GLN 4 Ca -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 58.92 2k0f h GLN 4 Cb 1.07 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.69 2k0f h GLN 4 CO 0.09 0.85 -0.02 0.82 -1.50 0.00 0.00 178.83 179.07 2k0f h ILE 5 N 0.04 0.96 -0.56 2.54 2.04 -1.51 -2.62 117.51 118.39 2k0f h ILE 5 Ca -0.32 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2k0f h ILE 5 Cb 2.02 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2k0f h ILE 5 CO 0.10 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.41 2k0f h ALA 6 N 0.93 0.74 -0.84 1.87 0.00 -1.46 -0.58 119.26 119.92 2k0f h ALA 6 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 6 Cb 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2k0f h ALA 6 CO -0.00 0.41 0.52 1.49 0.00 0.00 0.00 179.25 181.67 2k0f h GLU 7 N 0.79 0.94 0.02 0.00 4.81 -1.07 -0.61 114.58 119.46 2k0f h GLU 7 Ca 0.18 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 7 Cb 0.30 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 7 CO -0.00 0.62 -1.12 0.35 -0.73 0.00 0.00 179.01 178.12 2k0f h PHE 8 N 0.97 0.09 -0.97 0.92 3.57 -1.45 -2.29 116.94 117.77 2k0f h PHE 8 Ca 0.36 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2k0f h PHE 8 Cb 0.14 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 2k0f h PHE 8 CO -0.03 1.05 0.62 -0.22 -2.23 0.00 0.00 178.31 177.51 2k0f h LYS 9 N 0.01 1.13 0.01 1.11 3.64 -0.47 0.45 116.57 122.45 2k0f h LYS 9 Ca -0.06 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.04 2k0f h LYS 9 Cb 1.83 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 2k0f h LYS 9 CO 0.14 0.75 -1.00 1.49 -2.27 0.00 0.00 179.45 178.55 2k0f h GLU 10 N 1.16 0.02 -0.36 1.90 4.81 -1.18 -2.74 114.58 118.19 2k0f h GLU 10 Ca 0.41 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 10 Cb 0.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k0f h GLU 10 CO -0.16 1.00 -0.14 0.00 -0.73 0.00 0.00 179.01 178.99 2k0f h ALA 11 N 0.98 0.50 -0.70 2.92 0.00 -0.86 -3.27 119.26 118.83 2k0f h ALA 11 Ca -0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 11 Cb 1.76 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2k0f h ALA 11 CO 0.13 0.40 0.20 0.35 0.00 0.00 0.00 179.25 180.34 2k0f h PHE 12 N 0.52 1.14 0.00 0.00 3.04 -0.22 -3.00 116.94 118.41 2k0f h PHE 12 Ca 0.08 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2k0f h PHE 12 Cb 0.67 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2k0f h PHE 12 CO 0.06 0.91 0.00 -1.13 -2.02 0.00 0.00 178.31 176.12 2k0f n SER 13 N -4.25 0.00 -0.01 0.41 3.41 -1.03 -2.28 113.62 109.86 2k0f n SER 13 Ca 0.06 0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 2k0f n SER 13 Cb 0.24 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k0f h LEU 14 N 0.00 0.05 0.05 1.04 6.46 -1.58 -3.36 115.31 117.96 2k0f h LEU 14 Ca 0.00 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2k0f h LEU 14 Cb 0.29 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2k0f h LEU 14 CO 0.00 0.48 -0.02 -0.26 -0.62 0.00 0.00 178.44 178.02 2k0f h PHE 15 N -0.39 -0.06 -1.88 1.25 0.04 -1.70 -3.40 116.94 110.80 2k0f h PHE 15 Ca 0.00 -0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 2k0f h PHE 15 Cb 0.46 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 2k0f h PHE 15 CO 0.08 0.54 1.29 0.34 -0.60 0.00 0.00 178.31 179.96 2k0f s ASP 16 N -5.83 5.29 -0.10 2.17 2.15 -0.97 -4.78 116.67 114.60 2k0f s ASP 16 Ca -0.13 0.22 -0.12 0.00 0.43 0.00 0.00 52.55 52.95 2k0f s ASP 16 Cb -0.01 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 39.97 2k0f s ASP 16 CO 0.48 -2.39 0.37 0.50 -0.17 0.00 0.00 175.17 173.96 2k0f h LYS 17 N 14.48 -0.05 0.15 4.34 1.63 -1.80 -3.36 116.57 131.96 2k0f h LYS 17 Ca -0.23 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2k0f h LYS 17 Cb 1.14 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2k0f h LYS 17 CO 1.22 0.32 -0.20 0.38 -3.45 0.00 0.00 179.45 177.72 2k0f h ASP 18 N -0.99 -0.57 0.00 4.20 3.04 -1.94 -3.49 116.42 116.66 2k0f h ASP 18 Ca -0.01 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2k0f h ASP 18 Cb 0.39 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 2k0f h ASP 18 CO 0.01 -0.25 0.00 0.61 -2.04 0.00 0.00 179.24 177.57 2k0f n GLY 19 N -1.21 0.88 0.00 7.15 0.00 -1.26 -5.04 105.19 105.71 2k0f n GLY 19 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 1.61 5.75 -1.26 -4.87 116.55 117.78 2k0f n ASP 20 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2k0f n ASP 20 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 0.20 0.56 3.14 6.12 0.00 -1.26 -5.02 105.19 108.93 2k0f n GLY 21 Ca 0.07 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 1.75 -0.33 2.61 -4.23 -1.26 -2.93 115.64 109.25 2k0f s THR 22 Ca 0.00 -0.83 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 2k0f s THR 22 Cb 0.00 -1.54 -0.00 0.00 1.34 0.00 0.00 72.50 72.29 2k0f s THR 22 CO 0.00 0.49 0.60 -0.63 -0.54 0.00 0.00 174.62 174.54 2k0f s ILE 23 N 0.56 4.94 0.58 2.99 1.01 0.98 -4.79 121.20 127.47 2k0f s ILE 23 Ca -0.15 0.64 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 2k0f s ILE 23 Cb -0.17 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.30 2k0f s ILE 23 CO 0.05 -0.21 0.87 0.42 0.00 0.00 0.00 174.94 176.08 2k0f s THR 24 N 2.58 3.66 0.37 2.92 -4.23 -1.26 -1.92 115.64 117.75 2k0f s THR 24 Ca 0.23 -0.07 0.20 0.00 -1.18 0.00 0.00 61.69 60.87 2k0f s THR 24 Cb -0.15 -3.44 0.20 0.00 1.34 0.00 0.00 72.50 70.45 2k0f s THR 24 CO 0.13 -0.44 1.94 0.74 -0.54 0.00 0.00 174.62 176.45 2k0f h THR 25 N -0.11 0.89 -0.18 3.99 2.02 -1.97 -0.82 112.91 116.74 2k0f h THR 25 Ca -0.45 -0.91 -0.12 0.00 0.77 0.00 0.00 66.41 65.70 2k0f h THR 25 Cb 1.26 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2k0f h THR 25 CO 0.60 0.23 -0.38 0.11 0.37 0.00 0.00 175.52 176.46 2k0f h LYS 26 N 0.00 0.57 -0.75 6.66 1.79 -1.95 -0.18 116.57 122.71 2k0f h LYS 26 Ca -0.00 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2k0f h LYS 26 Cb 0.51 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 2k0f h LYS 26 CO 0.03 0.99 0.45 0.93 -1.08 0.00 0.00 179.45 180.77 2k0f h GLU 27 N 0.22 1.01 0.09 3.15 5.08 -1.78 0.20 114.58 122.55 2k0f h GLU 27 Ca 0.00 -0.09 -0.28 0.00 -1.00 0.00 0.00 59.36 57.99 2k0f h GLU 27 Cb 0.98 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 27 CO 0.08 0.71 -1.41 1.25 -1.00 0.00 0.00 179.01 178.65 2k0f h LEU 28 N 1.02 0.31 -1.86 1.33 5.85 -1.26 -1.32 115.31 119.38 2k0f h LEU 28 Ca 0.27 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2k0f h LEU 28 Cb -0.04 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2k0f h LEU 28 CO -0.05 1.33 -0.13 1.23 -0.34 0.00 0.00 178.44 180.48 2k0f h GLY 29 N 2.01 0.00 0.79 3.75 0.00 -0.82 0.71 103.07 109.51 2k0f h GLY 29 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 2k0f h GLY 29 CO 0.16 0.00 -0.65 -0.84 0.00 0.00 0.00 176.54 175.21 2k0f h THR 30 N 0.00 1.43 0.25 4.70 2.02 -0.25 -0.73 112.91 120.33 2k0f h THR 30 Ca -0.00 -2.14 0.01 0.00 0.77 0.00 0.00 66.41 65.04 2k0f h THR 30 Cb 0.27 2.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 2k0f h THR 30 CO 0.02 0.62 -0.44 0.58 0.37 0.00 0.00 175.52 176.67 2k0f h VAL 31 N -0.12 0.13 -0.08 3.16 2.07 -1.04 -1.37 116.25 119.01 2k0f h VAL 31 Ca -0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2k0f h VAL 31 Cb 1.37 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2k0f h VAL 31 CO 0.13 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 177.78 2k0f h MET 32 N -0.76 -0.24 -0.50 1.57 2.86 -0.96 -1.28 114.93 115.62 2k0f h MET 32 Ca -0.01 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 32 Cb 0.73 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.35 2k0f h MET 32 CO -0.18 -0.16 -0.15 -0.09 1.06 0.00 0.00 176.91 177.40 2k0f h ARG 33 N -0.25 -0.02 -0.04 1.72 9.65 -1.15 -1.92 114.38 122.36 2k0f h ARG 33 Ca 0.08 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.81 2k0f h ARG 33 Cb 0.36 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2k0f h ARG 33 CO -0.22 -0.02 -0.67 0.77 2.80 0.00 0.00 179.97 182.63 2k0f h SER 34 N -0.02 0.23 0.51 -3.80 0.02 -1.07 -3.23 113.55 106.19 2k0f h SER 34 Ca 0.24 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 2k0f h SER 34 Cb 0.39 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2k0f h SER 34 CO -0.53 0.83 -0.76 0.25 -1.14 0.00 0.00 176.83 175.48 2k0f h LEU 35 N 0.14 0.24 0.00 5.07 5.85 -1.09 -3.46 115.31 122.05 2k0f h LEU 35 Ca -0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2k0f h LEU 35 Cb 1.20 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2k0f h LEU 35 CO 0.10 0.91 0.00 0.61 -0.34 0.00 0.00 178.44 179.72 2k0f n GLY 36 N 0.62 -0.17 3.62 3.75 0.00 -0.75 -4.90 105.19 107.36 2k0f n GLY 36 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 0.87 -0.69 1.61 -2.07 -1.04 -4.98 119.66 113.35 2k0f s GLN 37 Ca 0.00 -0.41 -0.02 0.00 -1.82 0.00 0.00 55.36 53.11 2k0f s GLN 37 Cb 0.00 0.34 0.17 0.00 -1.09 0.00 0.00 33.01 32.43 2k0f s GLN 37 CO 0.00 -0.39 0.51 -0.80 -1.32 0.00 0.00 175.29 173.29 2k0f s ASN 38 N -2.69 5.34 0.33 12.60 0.01 -1.26 -3.93 114.94 125.35 2k0f s ASN 38 Ca 0.09 -3.10 -0.26 0.00 -0.71 0.00 0.00 52.86 48.88 2k0f s ASN 38 Cb -0.00 -1.85 -0.10 0.00 0.41 0.00 0.00 41.25 39.71 2k0f s ASN 38 CO -0.04 -0.31 0.97 -2.16 -1.51 0.00 0.00 177.10 174.06 2k0f s PRO 39 N -0.43 4.52 -0.18 -0.60 0.04 -1.26 -5.01 135.00 132.08 2k0f s PRO 39 Ca 0.20 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 2k0f s PRO 39 Cb -0.17 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 2k0f s PRO 39 CO -0.06 0.20 0.68 0.99 0.04 0.00 0.00 177.00 178.85 2k0f s THR 40 N -1.59 5.00 0.15 1.26 2.01 -1.26 -4.99 115.64 116.21 2k0f s THR 40 Ca 0.51 1.30 0.05 0.00 0.31 0.00 0.00 61.69 63.86 2k0f s THR 40 Cb -0.20 -3.99 -0.17 0.00 0.01 0.00 0.00 72.50 68.14 2k0f s THR 40 CO 0.26 0.11 1.34 -0.33 -0.69 0.00 0.00 174.62 175.31 2k0f h GLU 41 N 7.36 0.07 -0.89 4.92 5.08 -1.96 -2.61 114.58 126.56 2k0f h GLU 41 Ca -0.32 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 41 Cb 1.15 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2k0f h GLU 41 CO 0.79 0.95 0.57 0.00 -1.00 0.00 0.00 179.01 180.32 2k0f h ALA 42 N 1.01 1.18 -0.05 3.43 0.00 -1.98 -1.60 119.26 121.25 2k0f h ALA 42 Ca -0.03 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 42 Cb 1.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2k0f h ALA 42 CO 0.13 0.42 -0.66 1.49 0.00 0.00 0.00 179.25 180.63 2k0f h GLU 43 N 1.11 0.23 0.00 0.00 4.81 -1.97 -2.27 114.58 116.48 2k0f h GLU 43 Ca 0.36 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 43 Cb 0.03 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2k0f h GLU 43 CO -0.12 0.81 -0.46 1.25 -0.73 0.00 0.00 179.01 179.76 2k0f h LEU 44 N 0.16 0.00 -0.06 1.64 5.85 -1.37 -2.61 115.31 118.92 2k0f h LEU 44 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2k0f h LEU 44 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k0f h LEU 44 CO 0.10 0.46 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.00 2k0f h GLN 45 N 0.00 0.00 0.01 1.25 5.75 -0.73 -1.94 115.11 119.45 2k0f h GLN 45 Ca -0.00 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 2k0f h GLN 45 Cb 1.05 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 2k0f h GLN 45 CO 0.06 0.05 -0.94 -0.44 -2.65 0.00 0.00 178.83 174.91 2k0f h ASP 46 N 0.00 0.41 -0.57 -0.69 3.32 -1.07 -0.24 116.42 117.58 2k0f h ASP 46 Ca -0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 2k0f h ASP 46 Cb 1.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 2k0f h ASP 46 CO 0.01 1.15 0.04 0.24 -1.72 0.00 0.00 179.24 178.95 2k0f h MET 47 N 0.17 0.99 -0.10 3.56 2.86 -1.43 -2.28 114.93 118.69 2k0f h MET 47 Ca -0.07 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2k0f h MET 47 Cb 1.58 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 2k0f h MET 47 CO 0.15 0.97 -0.07 0.82 1.06 0.00 0.00 176.91 179.84 2k0f h ILE 48 N 0.88 0.78 0.00 -1.22 2.04 -1.33 -2.49 117.51 116.17 2k0f h ILE 48 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2k0f h ILE 48 Cb 0.50 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2k0f h ILE 48 CO 0.02 0.00 0.00 0.78 0.00 0.00 0.00 178.15 178.95 2k0f h ASN 49 N -0.08 0.00 -0.02 1.72 2.35 -0.81 -0.52 115.58 118.22 2k0f h ASN 49 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 2k0f h ASN 49 Cb 0.17 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.55 2k0f h ASN 49 CO -0.15 0.00 -0.49 -0.08 -1.65 0.00 0.00 177.43 175.06 2k0f h GLU 50 N 0.00 0.37 -0.42 0.81 4.81 -0.96 -3.36 114.58 115.83 2k0f h GLU 50 Ca 0.00 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 58.72 2k0f h GLU 50 Cb 0.18 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 50 CO 0.00 1.04 -0.31 0.28 -0.73 0.00 0.00 179.01 179.29 2k0f h VAL 51 N -0.17 1.27 -1.76 0.32 2.07 -1.10 -3.45 116.25 113.44 2k0f h VAL 51 Ca -0.06 -1.48 -0.68 0.00 0.82 0.00 0.00 66.70 65.30 2k0f h VAL 51 Cb 1.20 1.27 0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2k0f h VAL 51 CO 0.10 0.50 0.92 -0.67 0.02 0.00 0.00 177.57 178.44 2k0f n ASP 52 N -4.08 2.72 -0.08 0.57 2.03 -0.30 -4.91 116.55 112.50 2k0f n ASP 52 Ca -0.01 1.04 -0.12 0.00 0.52 0.00 0.00 54.79 56.23 2k0f n ASP 52 Cb 0.50 -1.24 -0.06 0.00 -0.72 0.00 0.00 41.12 39.60 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 7.58 0.11 0.78 -1.67 0.00 -1.90 -3.45 119.26 120.72 2k0f h ALA 53 Ca -0.47 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 53.64 2k0f h ALA 53 Cb 1.30 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2k0f h ALA 53 CO 0.94 0.53 -0.46 0.38 0.00 0.00 0.00 179.25 180.63 2k0f h ASP 54 N -1.00 -1.15 0.00 0.00 3.04 -1.94 -3.48 116.42 111.89 2k0f h ASP 54 Ca -0.14 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 2k0f h ASP 54 Cb 0.82 0.33 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 2k0f h ASP 54 CO -0.09 -0.72 0.00 0.61 -2.04 0.00 0.00 179.24 177.00 2k0f n GLY 55 N -1.59 -0.97 0.09 7.15 0.00 -1.26 -5.05 105.19 103.56 2k0f n GLY 55 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.28 0.00 1.61 7.08 -1.96 -3.48 115.58 119.11 2k0f h ASN 56 Ca 0.00 -0.33 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 2k0f h ASN 56 Cb 0.00 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.15 2k0f h ASN 56 CO 0.00 1.27 0.00 0.61 -2.08 0.00 0.00 177.43 177.23 2k0f n GLY 57 N 1.53 1.09 3.32 9.14 0.00 -1.26 -5.08 105.19 113.92 2k0f n GLY 57 Ca -0.09 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 1.78 -0.31 2.61 -4.23 -1.26 -4.77 115.64 107.46 2k0f s THR 58 Ca 0.00 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.36 2k0f s THR 58 Cb 0.00 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 72.06 2k0f s THR 58 CO 0.00 -0.29 1.18 -0.63 -0.54 0.00 0.00 174.62 174.34 2k0f s ILE 59 N -1.94 4.33 0.77 2.99 1.01 -0.81 -4.78 121.20 122.77 2k0f s ILE 59 Ca 0.14 1.53 -0.05 0.00 0.00 0.00 0.00 60.65 62.26 2k0f s ILE 59 Cb -0.06 -4.29 0.13 0.00 0.01 0.00 0.00 42.46 38.25 2k0f s ILE 59 CO 0.06 -0.47 1.06 -1.81 0.00 0.00 0.00 174.94 173.78 2k0f s ASP 60 N 2.16 4.18 0.12 3.58 1.11 -1.26 -0.01 116.67 126.55 2k0f s ASP 60 Ca 0.51 -0.06 -0.28 0.00 0.18 0.00 0.00 52.55 52.90 2k0f s ASP 60 Cb -0.14 -0.32 -0.07 0.00 1.07 0.00 0.00 42.92 43.46 2k0f s ASP 60 CO 0.19 -1.99 1.62 0.15 1.18 0.00 0.00 175.17 176.32 2k0f h PHE 61 N -0.77 -0.87 0.00 4.23 3.04 -1.93 -1.88 116.94 118.76 2k0f h PHE 61 Ca -0.40 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.57 2k0f h PHE 61 Cb 1.27 0.37 0.00 0.00 2.56 0.00 0.00 35.95 40.15 2k0f h PHE 61 CO -0.31 -0.42 0.00 -0.35 -2.02 0.00 0.00 178.31 175.22 2k0f n PRO 62 N -5.41 0.23 0.09 6.41 -0.04 -1.26 -2.26 135.00 132.76 2k0f n PRO 62 Ca -0.06 0.23 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 2k0f n PRO 62 Cb 0.33 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.52 -0.13 0.54 5.08 -1.78 -1.73 114.58 117.07 2k0f h GLU 63 Ca 0.00 -0.70 -0.20 0.00 -1.00 0.00 0.00 59.36 57.46 2k0f h GLU 63 Cb 0.65 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2k0f h GLU 63 CO 0.00 1.30 -0.73 0.35 -1.00 0.00 0.00 179.01 178.93 2k0f h PHE 64 N 0.23 0.82 0.49 4.33 3.57 -1.40 -2.43 116.94 122.54 2k0f h PHE 64 Ca -0.16 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 60.97 2k0f h PHE 64 Cb 1.88 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 2k0f h PHE 64 CO 0.10 1.14 -0.41 1.25 -2.23 0.00 0.00 178.31 178.16 2k0f h LEU 65 N 0.42 -1.08 -2.34 0.59 6.46 -1.46 -0.51 115.31 117.39 2k0f h LEU 65 Ca -0.04 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2k0f h LEU 65 Cb 1.33 0.35 -0.00 0.00 -0.73 0.00 0.00 40.66 41.61 2k0f h LEU 65 CO 0.14 -0.58 0.16 0.00 -0.62 0.00 0.00 178.44 177.54 2k0f h THR 66 N -0.89 0.37 0.07 1.05 1.03 -1.40 -0.05 112.91 113.09 2k0f h THR 66 Ca -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.35 2k0f h THR 66 Cb 0.76 0.86 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 2k0f h THR 66 CO -0.02 0.00 -0.04 -0.03 -0.01 0.00 0.00 175.52 175.43 2k0f h MET 67 N 0.00 -0.10 0.40 0.00 1.85 -0.90 -3.25 114.93 112.93 2k0f h MET 67 Ca 0.06 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2k0f h MET 67 Cb 0.38 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.43 2k0f h MET 67 CO -0.00 0.43 -0.19 0.52 -0.40 0.00 0.00 176.91 177.27 2k0f h MET 68 N -0.91 -0.52 -0.28 0.39 2.07 -0.91 -3.38 114.93 111.38 2k0f h MET 68 Ca -0.01 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2k0f h MET 68 Cb 0.57 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 2k0f h MET 68 CO 0.02 -0.25 0.00 0.00 1.07 0.00 0.00 176.91 177.74 2k0f n ALA 69 N -2.43 2.45 -1.93 6.32 0.00 -0.05 -4.88 120.51 119.98 2k0f n ALA 69 Ca -0.11 -0.86 -0.37 0.00 0.00 0.00 0.00 53.44 52.10 2k0f n ALA 69 Cb 0.27 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.64 4.46 -0.19 0.00 3.52 -1.23 -5.01 118.95 118.86 2k0f s ARG 70 Ca 0.36 1.13 -0.28 0.00 -0.13 0.00 0.00 55.73 56.81 2k0f s ARG 70 Cb 0.22 -2.91 -0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2k0f s ARG 70 CO 0.31 0.37 0.95 0.21 -0.81 0.00 0.00 175.30 176.33 2k0f s LYS 71 N -1.87 4.29 0.14 5.12 2.47 -1.26 -5.00 119.74 123.63 2k0f s LYS 71 Ca 0.45 1.22 0.02 0.00 -1.56 0.00 0.00 55.97 56.10 2k0f s LYS 71 Cb -0.19 -3.61 0.02 0.00 -1.46 0.00 0.00 37.83 32.60 2k0f s LYS 71 CO 0.23 -0.48 0.16 -1.33 0.16 0.00 0.00 175.35 174.10 2k0f n MET 72 N 5.76 1.03 -3.06 4.03 2.81 -1.26 -5.11 117.12 121.31 2k0f n MET 72 Ca 0.09 -0.78 -0.25 0.00 -1.81 0.00 0.00 57.70 54.94 2k0f n MET 72 Cb 0.47 -0.01 -0.01 0.00 -0.71 0.00 0.00 33.22 32.97 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 -2.61 3.51 0.29 0.03 -2.85 -1.26 -4.99 119.74 111.87 2k0f s LYS 73 Ca 0.12 -0.11 0.05 0.00 -1.00 0.00 0.00 55.97 55.04 2k0f s LYS 73 Cb -0.01 -2.54 0.46 0.00 -2.06 0.00 0.00 37.83 33.68 2k0f s LYS 73 CO 0.08 -0.00 1.72 -0.44 0.10 0.00 0.00 175.35 176.80 2k0f h ASP 74 N 0.53 0.32 0.75 0.03 3.32 -1.99 -2.00 116.42 117.39 2k0f h ASP 74 Ca -0.49 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 2k0f h ASP 74 Cb 1.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 2k0f h ASP 74 CO 0.61 0.66 -0.10 0.71 -1.72 0.00 0.00 179.24 179.40 2k0f h THR 75 N 0.27 0.32 0.20 0.35 1.35 -2.00 -1.65 112.91 111.75 2k0f h THR 75 Ca 0.03 -0.68 -0.33 0.00 -0.55 0.00 0.00 66.41 64.88 2k0f h THR 75 Cb 0.75 1.52 0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2k0f h THR 75 CO 0.06 0.10 -1.55 -0.78 -0.25 0.00 0.00 175.52 173.10 2k0f h ASP 76 N 0.00 0.67 1.03 5.36 3.58 -1.77 -3.28 116.42 122.00 2k0f h ASP 76 Ca -0.00 -0.82 -0.01 0.00 0.42 0.00 0.00 57.03 56.62 2k0f h ASP 76 Cb 0.51 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k0f h ASP 76 CO 0.01 1.66 -0.03 0.28 -2.88 0.00 0.00 179.24 178.28 2k0f h SER 77 N 0.12 0.00 0.01 2.28 0.02 -1.15 -2.19 113.55 112.63 2k0f h SER 77 Ca -0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2k0f h SER 77 Cb 2.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.65 2k0f h SER 77 CO 0.22 0.03 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.86 2k0f h GLU 78 N 0.00 -0.01 -0.71 3.45 4.81 -1.39 -3.19 114.58 117.54 2k0f h GLU 78 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 78 Cb 0.56 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 2k0f h GLU 78 CO 0.00 0.78 0.46 0.93 -0.73 0.00 0.00 179.01 180.46 2k0f h GLU 79 N -0.95 0.67 -0.04 1.92 4.39 -1.60 -1.68 114.58 117.29 2k0f h GLU 79 Ca -0.00 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 2k0f h GLU 79 Cb 0.80 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2k0f h GLU 79 CO 0.00 0.45 -0.72 1.49 -1.16 0.00 0.00 179.01 179.07 2k0f h GLU 80 N 0.69 0.21 0.01 2.33 4.81 -1.48 -0.63 114.58 120.53 2k0f h GLU 80 Ca 0.31 -0.18 -0.23 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 80 Cb 0.32 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 80 CO -0.10 0.84 -0.97 0.82 -0.73 0.00 0.00 179.01 178.87 2k0f h ILE 81 N 0.14 1.38 -0.32 2.32 2.04 -1.33 -2.56 117.51 119.19 2k0f h ILE 81 Ca -0.02 -2.44 -0.04 0.00 1.00 0.00 0.00 64.86 63.36 2k0f h ILE 81 Cb 1.28 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 2k0f h ILE 81 CO 0.11 0.73 0.05 -0.09 0.00 0.00 0.00 178.15 178.95 2k0f h ARG 82 N 0.25 0.53 -0.51 2.37 2.43 -1.30 0.49 114.38 118.64 2k0f h ARG 82 Ca -0.09 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 58.96 2k0f h ARG 82 Cb 1.61 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 2k0f h ARG 82 CO 0.17 0.62 0.34 0.93 -1.51 0.00 0.00 179.97 180.52 2k0f h GLU 83 N 0.36 0.60 0.00 0.20 4.39 -1.21 0.35 114.58 119.27 2k0f h GLU 83 Ca 0.10 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 2k0f h GLU 83 Cb 0.35 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k0f h GLU 83 CO 0.01 0.40 -0.41 0.00 -1.16 0.00 0.00 179.01 177.85 2k0f h ALA 84 N 1.70 0.75 -0.23 3.43 0.00 -0.95 0.69 119.26 124.65 2k0f h ALA 84 Ca 0.20 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 84 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k0f h ALA 84 CO -0.05 0.51 -0.63 0.35 0.00 0.00 0.00 179.25 179.43 2k0f h PHE 85 N 0.00 1.04 -0.26 0.00 3.57 -0.63 -2.07 116.94 118.59 2k0f h PHE 85 Ca -0.00 -0.40 -0.18 0.00 3.53 0.00 0.00 57.97 60.91 2k0f h PHE 85 Cb 1.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2k0f h PHE 85 CO 0.00 1.22 -0.57 -0.09 -2.23 0.00 0.00 178.31 176.65 2k0f h ARG 86 N 0.59 0.81 -0.69 1.11 2.43 0.32 -2.48 114.38 116.48 2k0f h ARG 86 Ca -0.01 -0.53 0.05 0.00 -0.81 0.00 0.00 59.98 58.68 2k0f h ARG 86 Cb 1.24 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 2k0f h ARG 86 CO 0.13 1.16 0.46 0.28 -1.51 0.00 0.00 179.97 180.49 2k0f h VAL 87 N 0.62 1.06 0.17 0.20 2.07 -0.87 -3.12 116.25 116.39 2k0f h VAL 87 Ca 0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2k0f h VAL 87 Cb 1.17 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k0f h VAL 87 CO 0.12 0.14 -0.08 0.15 0.02 0.00 0.00 177.57 177.92 2k0f h PHE 88 N 0.78 -0.21 -3.37 1.57 3.04 -1.17 -3.45 116.94 114.12 2k0f h PHE 88 Ca 0.29 -0.01 -0.73 0.00 3.98 0.00 0.00 57.97 61.50 2k0f h PHE 88 Cb 0.15 0.07 -0.23 0.00 2.56 0.00 0.00 35.95 38.50 2k0f h PHE 88 CO -0.00 0.22 -0.38 0.34 -2.02 0.00 0.00 178.31 176.47 2k0f s ASP 89 N -5.44 6.06 0.19 0.41 2.15 -0.95 -4.94 116.67 114.15 2k0f s ASP 89 Ca -0.13 -1.25 -0.12 0.00 0.43 0.00 0.00 52.55 51.48 2k0f s ASP 89 Cb 0.01 -2.15 0.19 0.00 -0.30 0.00 0.00 42.92 40.67 2k0f s ASP 89 CO 0.50 -0.58 1.77 0.50 -0.17 0.00 0.00 175.17 177.18 2k0f h LYS 90 N 8.67 0.44 0.01 4.34 1.63 -1.86 -3.24 116.57 126.55 2k0f h LYS 90 Ca -0.27 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2k0f h LYS 90 Cb 1.11 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2k0f h LYS 90 CO 0.82 0.29 -0.00 0.38 -3.45 0.00 0.00 179.45 177.49 2k0f h ASP 91 N 0.45 -0.01 0.00 4.20 2.03 -1.95 -3.49 116.42 117.65 2k0f h ASP 91 Ca 0.26 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 2k0f h ASP 91 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 2k0f h ASP 91 CO -0.22 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.29 2k0f n GLY 92 N 1.67 1.37 0.14 7.15 0.00 -1.23 -5.02 105.19 109.28 2k0f n GLY 92 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 0.38 0.00 1.61 -1.07 -1.95 -3.47 115.58 111.08 2k0f h ASN 93 Ca 0.00 -0.28 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2k0f h ASN 93 Cb 0.01 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.15 2k0f h ASN 93 CO 0.00 0.57 0.00 0.61 0.07 0.00 0.00 177.43 178.68 2k0f n GLY 94 N -0.39 0.79 3.25 9.14 0.00 -1.26 -5.13 105.19 111.58 2k0f n GLY 94 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.74 -0.43 1.61 1.51 -1.26 -4.42 117.35 116.11 2k0f s TYR 95 Ca 0.00 -0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 55.47 2k0f s TYR 95 Cb 0.00 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2k0f s TYR 95 CO 0.00 0.11 0.63 0.42 -1.11 0.00 0.00 175.55 175.60 2k0f s ILE 96 N -0.90 4.85 0.00 2.71 1.01 -0.42 -4.90 121.20 123.55 2k0f s ILE 96 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2k0f s ILE 96 Cb -0.09 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2k0f s ILE 96 CO 0.02 -0.55 0.00 -0.24 0.00 0.00 0.00 174.94 174.18 2k0f n SER 97 N 6.19 0.00 0.00 3.58 2.88 -1.26 -0.21 113.62 124.79 2k0f n SER 97 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2k0f n SER 97 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k0f n ALA 98 N -3.00 -0.19 0.30 -1.46 0.00 -1.26 -2.63 120.51 112.27 2k0f n ALA 98 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2k0f n ALA 98 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 2k0f n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0f h ALA 99 N -2.00 1.00 -0.42 0.00 0.00 -1.96 -2.20 119.26 113.68 2k0f h ALA 99 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 99 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 99 CO 0.00 0.00 -0.23 0.93 0.00 0.00 0.00 179.25 179.95 2k0f h GLU 100 N 0.00 0.85 -0.03 0.00 5.08 -1.94 0.16 114.58 118.70 2k0f h GLU 100 Ca 0.00 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 2k0f h GLU 100 Cb 0.53 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 100 CO 0.00 1.00 -0.31 1.25 -1.00 0.00 0.00 179.01 179.95 2k0f h LEU 101 N 0.74 0.32 -0.19 1.33 5.85 -1.17 -3.24 115.31 118.95 2k0f h LEU 101 Ca 0.10 -0.71 0.05 0.00 0.84 0.00 0.00 57.88 58.16 2k0f h LEU 101 Cb 0.77 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2k0f h LEU 101 CO 0.06 0.98 -0.13 0.03 -0.34 0.00 0.00 178.44 179.05 2k0f h ARG 102 N -0.31 -0.12 -0.57 1.25 3.08 -1.23 -1.76 114.38 114.72 2k0f h ARG 102 Ca -0.03 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.13 2k0f h ARG 102 Cb 1.00 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.97 2k0f h ARG 102 CO 0.06 -0.08 -0.32 1.25 -1.07 0.00 0.00 179.97 179.81 2k0f h HIS 103 N -0.13 -0.88 -0.01 3.04 2.76 -0.83 -1.25 115.15 117.85 2k0f h HIS 103 Ca 0.11 0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 2k0f h HIS 103 Cb 0.30 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 2k0f h HIS 103 CO -0.28 -0.38 -0.41 0.28 -1.30 0.00 0.00 177.93 175.84 2k0f h VAL 104 N -0.16 1.30 -0.27 5.26 2.07 -1.50 -1.69 116.25 121.26 2k0f h VAL 104 Ca 0.23 -1.42 -0.16 0.00 0.82 0.00 0.00 66.70 66.17 2k0f h VAL 104 Cb 0.54 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2k0f h VAL 104 CO -0.66 0.41 -0.48 0.24 0.02 0.00 0.00 177.57 177.10 2k0f h MET 105 N 0.02 0.71 -0.01 1.57 2.07 -0.92 -0.85 114.93 117.53 2k0f h MET 105 Ca -0.00 -0.41 -0.15 0.00 -2.07 0.00 0.00 59.70 57.07 2k0f h MET 105 Cb 0.74 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.48 2k0f h MET 105 CO 0.05 1.03 -0.69 1.15 1.07 0.00 0.00 176.91 179.52 2k0f h THR 106 N 0.56 1.49 0.00 2.22 2.02 -1.14 0.11 112.91 118.17 2k0f h THR 106 Ca 0.03 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.84 2k0f h THR 106 Cb 1.04 2.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2k0f h THR 106 CO 0.10 0.67 -0.10 0.78 0.37 0.00 0.00 175.52 177.34 2k0f h ASN 107 N 0.02 0.00 0.34 4.18 2.35 -0.87 -1.87 115.58 119.74 2k0f h ASN 107 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k0f h ASN 107 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2k0f h ASN 107 CO 0.09 0.10 -0.25 -0.11 -1.65 0.00 0.00 177.43 175.62 2k0f n LEU 108 N -3.38 0.75 0.00 1.61 7.94 -0.36 -4.46 117.00 119.10 2k0f n LEU 108 Ca -0.01 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 2k0f n LEU 108 Cb 0.28 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2k0f n LEU 108 CO 0.29 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 2k0f n GLY 109 N 1.36 0.72 3.39 -3.96 0.00 -0.70 -5.02 105.19 100.97 2k0f n GLY 109 Ca 0.11 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.82 3.17 -1.27 1.61 0.41 -0.03 -4.98 118.70 116.79 2k0f s GLU 110 Ca 0.00 -1.39 -0.11 0.00 -0.41 0.00 0.00 54.97 53.06 2k0f s GLU 110 Cb 0.00 -4.36 0.16 0.00 -1.78 0.00 0.00 34.13 28.15 2k0f s GLU 110 CO 0.00 -1.60 1.76 1.63 -0.49 0.00 0.00 175.26 176.56 2k0f n LYS 111 N 6.40 3.51 -2.77 1.61 5.02 -1.26 -3.48 118.16 127.19 2k0f n LYS 111 Ca -0.02 -3.58 -0.42 0.00 -2.02 0.00 0.00 58.31 52.26 2k0f n LYS 111 Cb 0.44 -2.98 -0.03 0.00 -0.02 0.00 0.00 35.03 32.44 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N 0.53 4.28 0.86 -0.35 1.43 -1.26 -5.08 118.68 119.08 2k0f s LEU 112 Ca 0.41 1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 54.88 2k0f s LEU 112 Cb 0.06 -3.46 0.17 0.00 0.03 0.00 0.00 46.19 42.99 2k0f s LEU 112 CO 0.00 -0.35 1.19 0.42 0.23 0.00 0.00 176.35 177.83 2k0f s THR 113 N 1.64 2.06 0.11 5.49 -4.23 -1.26 -4.75 115.64 114.70 2k0f s THR 113 Ca 0.46 -0.23 0.07 0.00 -1.18 0.00 0.00 61.69 60.81 2k0f s THR 113 Cb -0.19 -2.82 -0.21 0.00 1.34 0.00 0.00 72.50 70.62 2k0f s THR 113 CO 0.20 0.00 1.27 0.44 -0.54 0.00 0.00 174.62 175.99 2k0f h ASP 114 N -1.18 0.00 1.25 3.99 5.19 -1.98 0.82 116.42 124.51 2k0f h ASP 114 Ca -0.41 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.88 2k0f h ASP 114 Cb 1.25 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 2k0f h ASP 114 CO 0.40 0.99 -0.56 -0.33 -3.12 0.00 0.00 179.24 176.63 2k0f h GLU 115 N 0.00 0.00 -0.49 3.56 5.08 -1.97 -0.88 114.58 119.88 2k0f h GLU 115 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 115 Cb 1.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2k0f h GLU 115 CO 0.13 0.56 0.02 0.93 -1.00 0.00 0.00 179.01 179.64 2k0f h GLU 116 N 0.00 0.85 -0.31 2.33 5.08 -1.68 0.07 114.58 120.92 2k0f h GLU 116 Ca -0.01 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2k0f h GLU 116 Cb 1.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2k0f h GLU 116 CO 0.07 0.88 0.07 0.28 -1.00 0.00 0.00 179.01 179.32 2k0f h VAL 117 N 0.71 1.22 -0.39 3.13 2.07 -0.92 -2.70 116.25 119.38 2k0f h VAL 117 Ca 0.14 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 67.00 2k0f h VAL 117 Cb 0.49 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 2k0f h VAL 117 CO 0.02 0.25 -0.11 -0.78 0.02 0.00 0.00 177.57 176.97 2k0f h ASP 118 N 0.34 -0.39 -0.50 0.57 3.58 -1.01 -1.19 116.42 117.82 2k0f h ASP 118 Ca 0.10 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.74 2k0f h ASP 118 Cb 0.30 0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 2k0f h ASP 118 CO 0.00 -0.14 0.16 -0.08 -2.88 0.00 0.00 179.24 176.30 2k0f h GLU 119 N -0.01 0.32 0.03 0.28 4.81 -0.95 -0.71 114.58 118.34 2k0f h GLU 119 Ca 0.19 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 119 Cb 0.30 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 119 CO -0.41 0.21 -0.20 0.52 -0.73 0.00 0.00 179.01 178.40 2k0f h MET 120 N 0.33 -0.33 -0.29 1.92 2.86 -1.10 -2.44 114.93 115.87 2k0f h MET 120 Ca 0.25 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 2k0f h MET 120 Cb 0.28 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2k0f h MET 120 CO -0.27 -0.22 0.01 0.82 1.06 0.00 0.00 176.91 178.31 2k0f h ILE 121 N -0.34 1.17 0.94 -1.22 1.08 -0.64 -2.81 117.51 115.69 2k0f h ILE 121 Ca 0.05 -0.66 -0.05 0.00 -0.39 0.00 0.00 64.86 63.82 2k0f h ILE 121 Cb 0.41 0.94 0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2k0f h ILE 121 CO -0.17 0.22 -0.45 -0.09 -0.69 0.00 0.00 178.15 176.97 2k0f h ARG 122 N 0.42 -1.22 0.00 2.37 2.43 -0.68 -1.11 114.38 116.60 2k0f h ARG 122 Ca 0.09 0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2k0f h ARG 122 Cb 0.26 0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2k0f h ARG 122 CO 0.01 -0.81 -0.11 1.05 -1.51 0.00 0.00 179.97 178.60 2k0f h GLU 123 N -1.33 0.00 0.00 0.20 4.11 -1.50 -3.33 114.58 112.72 2k0f h GLU 123 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 2k0f h GLU 123 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k0f h GLU 123 CO 0.21 0.11 -0.08 0.00 0.07 0.00 0.00 179.01 179.32 2k0f h ALA 124 N 1.89 0.00 -1.54 1.06 0.00 -1.39 -3.46 119.26 115.83 2k0f h ALA 124 Ca -0.00 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 124 Cb 0.31 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2k0f h ALA 124 CO 0.01 0.07 1.14 0.34 0.00 0.00 0.00 179.25 180.82 2k0f s ASP 125 N -5.62 5.98 0.03 0.00 -1.08 -0.43 -4.89 116.67 110.66 2k0f s ASP 125 Ca -0.03 0.19 -0.19 0.00 -0.52 0.00 0.00 52.55 51.99 2k0f s ASP 125 Cb 0.00 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.73 2k0f s ASP 125 CO 0.07 -1.85 1.21 0.40 0.52 0.00 0.00 175.17 175.53 2k0f h ILE 126 N 6.41 1.39 -0.60 4.11 1.08 -1.89 -3.35 117.51 124.67 2k0f h ILE 126 Ca -0.27 -1.77 -0.08 0.00 -0.39 0.00 0.00 64.86 62.35 2k0f h ILE 126 Cb 1.10 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 37.07 2k0f h ILE 126 CO 1.20 0.52 0.07 -2.24 -0.69 0.00 0.00 178.15 177.01 2k0f h ASP 127 N -0.00 0.97 0.00 1.72 3.04 -1.98 -3.47 116.42 116.69 2k0f h ASP 127 Ca -0.03 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2k0f h ASP 127 Cb 1.06 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 2k0f h ASP 127 CO 0.09 1.01 0.00 0.61 -2.04 0.00 0.00 179.24 178.90 2k0f n GLY 128 N -0.50 1.79 0.16 7.15 0.00 -1.26 -5.00 105.19 107.53 2k0f n GLY 128 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.02 0.00 0.00 1.61 2.03 -1.92 -3.47 116.42 114.69 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.49 0.00 0.61 -1.03 0.00 0.00 179.24 179.31 2k0f n GLY 130 N -0.01 0.60 3.95 7.15 0.00 -1.26 -5.07 105.19 110.55 2k0f n GLY 130 Ca -0.01 0.00 -0.24 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 -0.80 3.47 -0.21 1.61 -0.21 -1.26 -4.46 119.66 117.80 2k0f s GLN 131 Ca 0.00 -0.54 -0.14 0.00 0.02 0.00 0.00 55.36 54.70 2k0f s GLN 131 Cb 0.00 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2k0f s GLN 131 CO 0.00 0.40 0.32 0.08 -2.12 0.00 0.00 175.29 173.97 2k0f s VAL 132 N -1.95 5.25 0.58 1.09 1.01 0.70 -4.97 120.40 122.12 2k0f s VAL 132 Ca 0.36 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.94 2k0f s VAL 132 Cb -0.10 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.70 2k0f s VAL 132 CO 0.30 0.29 0.81 0.54 0.00 0.00 0.00 175.10 177.04 2k0f s ASN 133 N 0.97 5.01 0.11 3.32 2.20 -1.26 -1.30 114.94 123.99 2k0f s ASN 133 Ca 0.16 -0.46 -0.24 0.00 -0.94 0.00 0.00 52.86 51.38 2k0f s ASN 133 Cb -0.14 -0.20 -0.09 0.00 -2.00 0.00 0.00 41.25 38.81 2k0f s ASN 133 CO 0.06 -1.35 1.69 0.22 -2.94 0.00 0.00 177.10 174.79 2k0f h TYR 134 N 0.03 -0.26 -0.94 1.54 3.20 -1.99 -1.96 116.97 116.59 2k0f h TYR 134 Ca -0.36 0.01 0.14 0.00 3.14 0.00 0.00 58.73 61.66 2k0f h TYR 134 Cb 1.28 0.12 -0.09 0.00 1.54 0.00 0.00 36.73 39.58 2k0f h TYR 134 CO 0.23 -0.16 0.55 0.93 -1.64 0.00 0.00 178.16 178.07 2k0f h GLU 135 N -0.18 0.78 -0.40 1.82 5.08 -1.98 0.22 114.58 119.92 2k0f h GLU 135 Ca 0.04 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 135 Cb 0.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 135 CO -0.10 0.52 0.27 0.93 -1.00 0.00 0.00 179.01 179.63 2k0f h GLU 136 N 0.80 0.45 0.06 2.33 5.08 -1.91 -1.86 114.58 119.53 2k0f h GLU 136 Ca 0.50 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 136 Cb 0.63 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 136 CO -0.32 0.30 -1.46 0.35 -1.00 0.00 0.00 179.01 176.88 2k0f h PHE 137 N 0.47 0.22 0.20 4.33 3.57 -0.29 -2.58 116.94 122.86 2k0f h PHE 137 Ca 0.16 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 137 Cb 0.06 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2k0f h PHE 137 CO -0.00 1.20 -0.34 0.28 -2.23 0.00 0.00 178.31 177.22 2k0f h VAL 138 N 0.03 0.30 0.00 1.41 2.07 -0.60 -2.73 116.25 116.73 2k0f h VAL 138 Ca -0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2k0f h VAL 138 Cb 1.95 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2k0f h VAL 138 CO 0.13 0.00 -0.04 0.06 0.02 0.00 0.00 177.57 177.74 2k0f h GLN 139 N -0.61 0.00 -0.27 1.57 3.07 -1.41 0.32 115.11 117.77 2k0f h GLN 139 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.64 2k0f h GLN 139 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2k0f h GLN 139 CO -0.15 0.04 -0.31 1.98 0.09 0.00 0.00 178.83 180.48 2k0f h MET 140 N 0.00 0.57 0.00 0.06 4.05 -1.31 -3.29 114.93 115.01 2k0f h MET 140 Ca -0.00 -0.25 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 2k0f h MET 140 Cb 0.62 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2k0f h MET 140 CO 0.01 0.82 -0.31 0.52 0.23 0.00 0.00 176.91 178.17 2k0f h MET 141 N 0.49 0.00 -0.01 0.39 2.86 -0.96 -3.51 114.93 114.19 2k0f h MET 141 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k0f h MET 141 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2k0f h MET 141 CO 0.06 0.48 0.00 0.25 1.06 0.00 0.00 176.91 178.77