#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 0.14 -0.97 -0.78 5.08 -2.05 0.02 114.58 116.02 2k0f h GLU 2 Ca 0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 2 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 2 CO 0.00 0.29 0.64 1.49 -1.00 0.00 0.00 179.01 180.43 2k0f h GLU 3 N -0.04 1.24 -0.06 2.33 4.81 -2.05 -0.66 114.58 120.14 2k0f h GLU 3 Ca 0.03 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 3 Cb 0.21 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2k0f h GLU 3 CO -0.00 0.82 -0.06 1.96 -0.73 0.00 0.00 179.01 181.00 2k0f h GLN 4 N 1.28 0.15 -0.04 1.92 4.20 -1.97 -2.71 115.11 117.94 2k0f h GLN 4 Ca 0.37 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2k0f h GLN 4 Cb -0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2k0f h GLN 4 CO -0.10 0.60 -0.03 0.82 -0.67 0.00 0.00 178.83 179.45 2k0f h ILE 5 N -0.30 1.05 -0.58 2.54 1.08 -0.85 -0.43 117.51 120.03 2k0f h ILE 5 Ca 0.01 -0.21 -0.11 0.00 -0.39 0.00 0.00 64.86 64.16 2k0f h ILE 5 Cb 0.57 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 2k0f h ILE 5 CO 0.02 0.06 -0.05 0.00 -0.69 0.00 0.00 178.15 177.49 2k0f h ALA 6 N 1.92 0.80 -0.20 1.87 0.00 -1.11 -1.17 119.26 121.37 2k0f h ALA 6 Ca 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2k0f h ALA 6 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k0f h ALA 6 CO 0.00 0.67 -0.20 1.49 0.00 0.00 0.00 179.25 181.22 2k0f h GLU 7 N 0.95 0.49 -0.71 0.00 4.81 -0.78 -0.24 114.58 119.10 2k0f h GLU 7 Ca 0.16 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2k0f h GLU 7 Cb 0.62 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2k0f h GLU 7 CO 0.04 0.84 0.28 0.74 -0.73 0.00 0.00 179.01 180.18 2k0f h PHE 8 N 0.16 1.08 -0.11 0.92 0.04 -1.29 -1.78 116.94 115.96 2k0f h PHE 8 Ca 0.03 -0.08 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 2k0f h PHE 8 Cb 0.75 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2k0f h PHE 8 CO 0.08 0.83 -0.53 -0.22 -0.60 0.00 0.00 178.31 177.87 2k0f h LYS 9 N 1.01 0.31 -0.44 1.51 1.63 -1.00 -1.31 116.57 118.28 2k0f h LYS 9 Ca 0.24 -0.19 -0.12 0.00 -0.85 0.00 0.00 60.65 59.73 2k0f h LYS 9 Cb 0.21 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2k0f h LYS 9 CO -0.02 0.77 -0.19 1.49 -3.45 0.00 0.00 179.45 178.05 2k0f h GLU 10 N 0.24 0.86 0.00 1.90 4.57 -0.94 0.48 114.58 121.69 2k0f h GLU 10 Ca 0.01 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2k0f h GLU 10 Cb 1.02 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2k0f h GLU 10 CO 0.09 0.98 0.00 0.00 -1.18 0.00 0.00 179.01 178.89 2k0f h ALA 11 N 1.03 1.00 0.11 2.92 0.00 -0.92 -2.60 119.26 120.80 2k0f h ALA 11 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 11 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k0f h ALA 11 CO 0.06 0.00 -1.57 0.35 0.00 0.00 0.00 179.25 178.08 2k0f h PHE 12 N 0.00 0.41 0.00 0.00 3.04 -0.65 -3.24 116.94 116.50 2k0f h PHE 12 Ca 0.00 -0.30 -0.00 0.00 3.98 0.00 0.00 57.97 61.65 2k0f h PHE 12 Cb 0.81 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.30 2k0f h PHE 12 CO 0.00 1.38 -0.01 0.77 -2.02 0.00 0.00 178.31 178.42 2k0f h SER 13 N 0.06 0.00 -0.12 0.41 0.02 -0.57 -1.74 113.55 111.61 2k0f h SER 13 Ca -0.26 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 2k0f h SER 13 Cb 2.01 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.50 2k0f h SER 13 CO 0.15 0.01 -0.22 0.25 -1.14 0.00 0.00 176.83 175.88 2k0f h LEU 14 N 0.00 -0.69 -0.03 5.07 5.85 -1.50 -3.19 115.31 120.82 2k0f h LEU 14 Ca -0.00 0.11 -0.24 0.00 0.84 0.00 0.00 57.88 58.59 2k0f h LEU 14 Cb 0.21 0.31 0.02 0.00 0.37 0.00 0.00 40.66 41.57 2k0f h LEU 14 CO 0.00 -0.28 -0.92 -0.26 -0.34 0.00 0.00 178.44 176.64 2k0f h PHE 15 N -0.29 0.98 -1.80 1.25 0.04 -1.54 -3.45 116.94 112.13 2k0f h PHE 15 Ca 0.10 -0.52 -0.65 0.00 2.80 0.00 0.00 57.97 59.70 2k0f h PHE 15 Cb 0.43 -0.12 -0.14 0.00 2.20 0.00 0.00 35.95 38.32 2k0f h PHE 15 CO -0.32 1.35 1.18 0.34 -0.60 0.00 0.00 178.31 180.25 2k0f s ASP 16 N -7.17 6.60 0.29 2.17 -1.08 -0.73 -4.80 116.67 111.95 2k0f s ASP 16 Ca -0.10 -1.84 0.25 0.00 -0.52 0.00 0.00 52.55 50.34 2k0f s ASP 16 Cb 0.07 -2.48 0.94 0.00 -1.46 0.00 0.00 42.92 39.99 2k0f s ASP 16 CO 0.90 -1.24 1.76 0.11 0.52 0.00 0.00 175.17 177.22 2k0f h LYS 17 N 9.14 0.00 0.05 4.34 1.79 -1.88 -3.06 116.57 126.95 2k0f h LYS 17 Ca 0.19 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.39 2k0f h LYS 17 Cb 1.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 2k0f h LYS 17 CO 1.26 0.00 -1.47 -0.44 -1.08 0.00 0.00 179.45 177.72 2k0f h ASP 18 N 0.00 0.17 0.00 0.86 3.32 -1.94 -3.49 116.42 115.34 2k0f h ASP 18 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.36 2k0f h ASP 18 Cb 0.52 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2k0f h ASP 18 CO 0.00 1.61 0.00 0.61 -1.72 0.00 0.00 179.24 179.74 2k0f n GLY 19 N 1.63 0.46 0.13 2.75 0.00 -1.16 -5.01 105.19 104.00 2k0f n GLY 19 Ca -0.31 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 1.61 2.03 -1.94 -3.47 116.42 114.64 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2k0f h ASP 20 CO 0.00 0.46 0.00 0.61 -1.03 0.00 0.00 179.24 179.28 2k0f n GLY 21 N 1.26 0.84 3.21 7.15 0.00 -1.26 -5.12 105.19 111.27 2k0f n GLY 21 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -1.69 1.04 -0.32 2.61 -4.23 -1.26 -3.07 115.64 108.72 2k0f s THR 22 Ca 0.00 -1.87 -0.13 0.00 -1.18 0.00 0.00 61.69 58.52 2k0f s THR 22 Cb 0.00 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 2k0f s THR 22 CO 0.00 -0.67 0.25 -0.63 -0.54 0.00 0.00 174.62 173.03 2k0f s ILE 23 N -2.95 5.27 0.80 2.99 1.01 -0.69 -4.78 121.20 122.85 2k0f s ILE 23 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 2k0f s ILE 23 Cb 0.00 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.87 2k0f s ILE 23 CO -0.00 0.05 1.16 0.42 0.00 0.00 0.00 174.94 176.57 2k0f s THR 24 N 1.79 2.32 0.23 2.92 -4.23 -1.26 -3.63 115.64 113.78 2k0f s THR 24 Ca 0.08 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 2k0f s THR 24 Cb -0.17 -3.06 0.13 0.00 1.34 0.00 0.00 72.50 70.74 2k0f s THR 24 CO 0.11 -0.14 1.76 0.74 -0.54 0.00 0.00 174.62 176.55 2k0f h THR 25 N -1.04 1.25 -0.16 3.99 2.02 -1.94 -1.09 112.91 115.94 2k0f h THR 25 Ca -0.46 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 65.85 2k0f h THR 25 Cb 1.31 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 2k0f h THR 25 CO 0.65 0.35 -0.26 0.11 0.37 0.00 0.00 175.52 176.74 2k0f h LYS 26 N 0.99 -0.30 -0.59 6.66 1.57 -1.96 0.46 116.57 123.40 2k0f h LYS 26 Ca 0.21 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.11 2k0f h LYS 26 Cb 0.34 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2k0f h LYS 26 CO -0.00 -0.20 0.40 0.93 -0.57 0.00 0.00 179.45 180.01 2k0f h GLU 27 N -0.31 0.38 0.15 3.15 5.08 -1.79 -2.01 114.58 119.24 2k0f h GLU 27 Ca 0.11 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 27 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 27 CO -0.34 0.25 -1.54 1.25 -1.00 0.00 0.00 179.01 177.63 2k0f h LEU 28 N 0.39 0.51 -1.46 1.33 5.85 -0.67 -3.17 115.31 118.09 2k0f h LEU 28 Ca 0.27 -0.67 0.13 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 28 Cb 0.55 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 28 CO -0.07 1.55 0.51 1.23 -0.34 0.00 0.00 178.44 181.32 2k0f h GLY 29 N 1.24 0.89 0.56 3.75 0.00 0.20 -0.96 103.07 108.74 2k0f h GLY 29 Ca -0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 2k0f h GLY 29 CO 0.19 0.10 -0.24 -0.84 0.00 0.00 0.00 176.54 175.74 2k0f h THR 30 N 0.56 1.48 0.14 4.70 2.02 -1.43 -2.47 112.91 117.91 2k0f h THR 30 Ca 0.37 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2k0f h THR 30 Cb 0.67 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2k0f h THR 30 CO -0.14 0.49 -0.07 0.58 0.37 0.00 0.00 175.52 176.75 2k0f h VAL 31 N -0.35 0.95 -0.61 3.16 2.07 -1.44 -2.73 116.25 117.31 2k0f h VAL 31 Ca -0.02 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.19 2k0f h VAL 31 Cb 0.93 1.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.79 2k0f h VAL 31 CO 0.05 0.09 -0.53 0.24 0.02 0.00 0.00 177.57 177.45 2k0f h MET 32 N -0.37 -0.24 -0.16 1.57 2.86 -1.28 -2.22 114.93 115.09 2k0f h MET 32 Ca -0.02 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 32 Cb 0.29 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2k0f h MET 32 CO 0.03 -0.16 -0.13 -0.09 1.06 0.00 0.00 176.91 177.63 2k0f h ARG 33 N -0.25 0.25 -0.30 1.72 2.43 -1.37 -2.01 114.38 114.86 2k0f h ARG 33 Ca 0.13 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 33 Cb 0.55 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2k0f h ARG 33 CO -0.71 0.38 -0.21 0.77 -1.51 0.00 0.00 179.97 178.69 2k0f h SER 34 N 0.24 0.55 0.36 -3.80 0.02 -1.13 -1.06 113.55 108.73 2k0f h SER 34 Ca 0.05 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 34 Cb 0.37 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2k0f h SER 34 CO 0.02 0.77 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.24 2k0f h LEU 35 N 0.49 -0.41 0.00 5.07 3.38 -1.10 -3.48 115.31 119.26 2k0f h LEU 35 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 35 Cb 0.64 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2k0f h LEU 35 CO 0.05 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.97 2k0f n GLY 36 N -1.02 0.89 3.22 0.83 0.00 -0.40 -5.03 105.19 103.68 2k0f n GLY 36 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 2.13 -0.57 1.61 -0.21 -1.12 -5.03 119.66 116.47 2k0f s GLN 37 Ca 0.00 -0.78 0.04 0.00 0.02 0.00 0.00 55.36 54.64 2k0f s GLN 37 Cb 0.00 -1.87 0.16 0.00 1.00 0.00 0.00 33.01 32.30 2k0f s GLN 37 CO 0.00 0.36 0.39 -0.80 -2.12 0.00 0.00 175.29 173.12 2k0f s ASN 38 N -0.18 3.73 0.84 5.90 0.01 -1.26 -3.14 114.94 120.84 2k0f s ASN 38 Ca -0.01 -3.37 -0.11 0.00 -0.71 0.00 0.00 52.86 48.66 2k0f s ASN 38 Cb -0.12 -1.23 0.13 0.00 0.41 0.00 0.00 41.25 40.45 2k0f s ASN 38 CO 0.02 -0.15 1.18 -2.16 -1.51 0.00 0.00 177.10 174.49 2k0f s PRO 39 N -0.66 1.40 0.38 -0.60 0.04 -1.26 -5.07 135.00 129.23 2k0f s PRO 39 Ca 0.25 -0.35 -0.09 0.00 0.04 0.00 0.00 61.00 60.86 2k0f s PRO 39 Cb -0.08 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2k0f s PRO 39 CO -0.13 -1.86 0.71 0.95 0.04 0.00 0.00 177.00 176.71 2k0f s THR 40 N -3.59 4.86 0.30 1.26 -4.23 -1.26 -4.97 115.64 108.01 2k0f s THR 40 Ca 0.67 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.62 2k0f s THR 40 Cb -0.07 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.31 2k0f s THR 40 CO 0.49 -0.49 1.89 -0.33 -0.54 0.00 0.00 174.62 175.64 2k0f h GLU 41 N 1.31 0.99 -0.99 3.99 5.08 -1.97 -1.54 114.58 121.45 2k0f h GLU 41 Ca -0.47 -0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.00 2k0f h GLU 41 Cb 1.19 -0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.12 2k0f h GLU 41 CO 0.64 0.65 0.61 0.00 -1.00 0.00 0.00 179.01 179.92 2k0f h ALA 42 N 1.52 1.72 0.19 3.43 0.00 -1.99 -0.19 119.26 123.95 2k0f h ALA 42 Ca 0.43 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 55.07 2k0f h ALA 42 Cb 0.30 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 42 CO -0.18 -0.06 -1.48 1.49 0.00 0.00 0.00 179.25 179.02 2k0f h GLU 43 N 0.76 0.41 0.10 0.00 4.81 -1.76 -3.16 114.58 115.74 2k0f h GLU 43 Ca 0.55 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 43 Cb 0.85 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2k0f h GLU 43 CO -0.32 1.32 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.15 2k0f h LEU 44 N 0.11 -0.12 -1.05 1.64 3.38 -1.14 -3.07 115.31 115.06 2k0f h LEU 44 Ca -0.24 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2k0f h LEU 44 Cb 2.09 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.79 2k0f h LEU 44 CO 0.23 0.01 0.63 -0.61 0.09 0.00 0.00 178.44 178.78 2k0f h GLN 45 N -0.24 0.98 -0.00 1.13 4.15 -1.14 -2.69 115.11 117.31 2k0f h GLN 45 Ca -0.01 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 2k0f h GLN 45 Cb 0.19 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2k0f h GLN 45 CO 0.02 0.65 -0.59 0.22 -1.93 0.00 0.00 178.83 177.20 2k0f h ASP 46 N 1.01 0.01 -0.08 -0.69 3.58 -1.50 0.29 116.42 119.05 2k0f h ASP 46 Ca 0.46 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.81 2k0f h ASP 46 Cb 0.40 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k0f h ASP 46 CO -0.22 0.59 -0.36 -0.03 -2.88 0.00 0.00 179.24 176.34 2k0f h MET 47 N 0.00 0.38 -0.26 0.28 4.05 -1.44 -3.05 114.93 114.89 2k0f h MET 47 Ca -0.01 -0.30 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 2k0f h MET 47 Cb 1.05 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 2k0f h MET 47 CO 0.08 0.94 0.11 0.82 0.23 0.00 0.00 176.91 179.09 2k0f h ILE 48 N -0.09 1.16 -0.09 1.77 2.04 -1.16 -3.05 117.51 118.10 2k0f h ILE 48 Ca -0.02 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2k0f h ILE 48 Cb 1.01 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2k0f h ILE 48 CO 0.07 0.17 0.04 0.78 0.00 0.00 0.00 178.15 179.21 2k0f h ASN 49 N 0.28 0.10 -0.38 1.72 -0.26 -0.47 -1.80 115.58 114.78 2k0f h ASN 49 Ca 0.09 -0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 2k0f h ASN 49 Cb 0.16 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.35 2k0f h ASN 49 CO -0.01 0.09 0.11 -0.08 -1.06 0.00 0.00 177.43 176.48 2k0f h GLU 50 N 0.12 0.24 0.00 0.81 4.81 -1.42 -2.94 114.58 116.20 2k0f h GLU 50 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 50 Cb 0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 50 CO -0.00 0.16 0.00 1.33 -0.73 0.00 0.00 179.01 179.76 2k0f n VAL 51 N -5.05 0.69 -2.32 0.32 0.24 -0.86 -4.82 118.33 106.53 2k0f n VAL 51 Ca 0.02 0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.97 2k0f n VAL 51 Cb 0.15 -0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 31.61 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 -3.85 6.88 -0.17 -1.34 2.15 -0.74 -4.89 116.67 114.72 2k0f s ASP 52 Ca 0.08 1.86 0.08 0.00 0.43 0.00 0.00 52.55 55.00 2k0f s ASP 52 Cb 0.12 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 52 CO 0.43 -0.78 -0.05 0.00 -0.17 0.00 0.00 175.17 174.60 2k0f n ALA 53 N 6.49 1.61 0.06 3.66 0.00 -1.26 -4.71 120.51 126.35 2k0f n ALA 53 Ca 0.14 -0.92 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 2k0f n ALA 53 Cb 0.44 -0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 -0.15 0.00 0.00 3.04 -1.92 -3.48 116.42 113.92 2k0f h ASP 54 Ca -0.42 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.02 2k0f h ASP 54 Cb 1.81 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 40.14 2k0f h ASP 54 CO -0.02 0.30 0.00 0.61 -2.04 0.00 0.00 179.24 178.09 2k0f n GLY 55 N 0.09 -0.47 0.47 7.15 0.00 -1.26 -5.03 105.19 106.14 2k0f n GLY 55 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 1.45 0.00 1.61 6.94 -1.26 -4.96 115.26 119.04 2k0f n ASN 56 Ca 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 2k0f n ASN 56 Cb 0.00 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.16 0.49 3.10 4.83 0.00 -1.26 -4.99 105.19 108.52 2k0f n GLY 57 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.04 0.26 -0.42 2.61 -4.23 -1.26 -4.59 115.64 105.98 2k0f s THR 58 Ca 0.00 -1.82 -0.22 0.00 -1.18 0.00 0.00 61.69 58.47 2k0f s THR 58 Cb 0.00 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 72.31 2k0f s THR 58 CO 0.00 -0.98 0.72 -0.51 -0.54 0.00 0.00 174.62 173.31 2k0f s ILE 59 N -3.89 4.76 0.94 2.99 2.07 -1.24 -4.74 121.20 122.08 2k0f s ILE 59 Ca 0.08 0.42 -0.15 0.00 -1.41 0.00 0.00 60.65 59.58 2k0f s ILE 59 Cb 0.08 -4.23 0.17 0.00 0.13 0.00 0.00 42.46 38.61 2k0f s ILE 59 CO -0.09 -0.58 1.27 -1.81 -1.91 0.00 0.00 174.94 171.82 2k0f s ASP 60 N 2.00 3.33 0.05 4.50 1.11 -1.26 -1.70 116.67 124.69 2k0f s ASP 60 Ca 0.27 0.43 -0.25 0.00 0.18 0.00 0.00 52.55 53.18 2k0f s ASP 60 Cb -0.13 -0.61 -0.17 0.00 1.07 0.00 0.00 42.92 43.08 2k0f s ASP 60 CO 0.19 -2.61 1.53 0.15 1.18 0.00 0.00 175.17 175.62 2k0f h PHE 61 N -1.56 -0.16 0.00 4.23 3.57 -1.94 -2.79 116.94 118.29 2k0f h PHE 61 Ca -0.45 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 61 Cb 1.26 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2k0f h PHE 61 CO -0.82 0.04 0.00 -1.00 -2.23 0.00 0.00 178.31 174.30 2k0f h PRO 62 N -0.34 0.00 -0.05 6.41 0.13 -1.97 -1.36 132.00 134.82 2k0f h PRO 62 Ca -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 2k0f h PRO 62 Cb 0.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.42 2k0f h PRO 62 CO 0.03 0.00 -0.50 0.93 -0.23 0.00 0.00 178.00 178.23 2k0f h GLU 63 N 0.00 0.44 -0.96 0.86 5.08 -1.96 -0.64 114.58 117.40 2k0f h GLU 63 Ca 0.00 -0.40 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2k0f h GLU 63 Cb 0.34 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 63 CO 0.00 1.04 0.62 0.35 -1.00 0.00 0.00 179.01 180.02 2k0f h PHE 64 N -0.03 1.15 -0.33 4.33 3.04 -1.27 -1.55 116.94 122.27 2k0f h PHE 64 Ca -0.05 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 2k0f h PHE 64 Cb 1.18 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 2k0f h PHE 64 CO 0.13 0.60 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.71 2k0f h LEU 65 N 1.13 0.67 0.09 0.59 3.38 -1.05 -0.78 115.31 119.34 2k0f h LEU 65 Ca 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k0f h LEU 65 Cb 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k0f h LEU 65 CO -0.17 0.89 -0.04 0.74 0.09 0.00 0.00 178.44 179.95 2k0f h THR 66 N 0.57 0.96 -0.32 0.22 2.02 -0.81 -2.71 112.91 112.85 2k0f h THR 66 Ca 0.08 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2k0f h THR 66 Cb 0.72 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2k0f h THR 66 CO 0.06 0.05 0.13 -0.03 0.37 0.00 0.00 175.52 176.09 2k0f h MET 67 N -0.20 0.48 0.06 6.66 1.85 -1.11 -2.72 114.93 119.94 2k0f h MET 67 Ca -0.01 -0.08 -0.24 0.00 -0.61 0.00 0.00 59.70 58.75 2k0f h MET 67 Cb 0.17 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.12 2k0f h MET 67 CO 0.02 0.48 -1.07 0.52 -0.40 0.00 0.00 176.91 176.46 2k0f h MET 68 N 0.37 0.33 0.00 0.39 2.86 -1.21 -2.95 114.93 114.73 2k0f h MET 68 Ca 0.11 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2k0f h MET 68 Cb 0.18 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2k0f h MET 68 CO -0.01 1.14 0.00 0.00 1.06 0.00 0.00 176.91 179.10 2k0f n ALA 69 N -2.53 2.48 -1.77 6.32 0.00 -1.02 -4.93 120.51 119.06 2k0f n ALA 69 Ca -0.07 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 2k0f n ALA 69 Cb 0.91 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.56 4.13 -0.19 0.00 3.52 -1.03 -4.98 118.95 117.83 2k0f s ARG 70 Ca 0.29 2.56 -0.18 0.00 -0.13 0.00 0.00 55.73 58.27 2k0f s ARG 70 Cb 0.20 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2k0f s ARG 70 CO 0.45 -0.60 0.50 0.21 -0.81 0.00 0.00 175.30 175.06 2k0f s LYS 71 N -0.88 4.20 0.56 5.12 2.20 -1.26 -5.05 119.74 124.62 2k0f s LYS 71 Ca 0.60 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 56.67 2k0f s LYS 71 Cb -0.47 -3.55 0.07 0.00 -1.51 0.00 0.00 37.83 32.37 2k0f s LYS 71 CO 0.51 -0.12 0.77 -1.64 -0.36 0.00 0.00 175.35 174.52 2k0f s MET 72 N 1.53 2.35 0.84 4.03 -1.94 -1.26 -5.13 119.30 119.71 2k0f s MET 72 Ca 0.24 -1.34 -0.13 0.00 -1.71 0.00 0.00 55.69 52.75 2k0f s MET 72 Cb -0.15 -2.60 0.10 0.00 2.01 0.00 0.00 34.83 34.19 2k0f s MET 72 CO 0.09 -0.80 1.20 0.15 -0.01 0.00 0.00 175.02 175.65 2k0f s LYS 73 N -4.69 1.70 0.14 2.03 1.02 -1.26 -4.75 119.74 113.93 2k0f s LYS 73 Ca 0.60 -0.02 -0.14 0.00 0.02 0.00 0.00 55.97 56.44 2k0f s LYS 73 Cb -0.07 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 2k0f s LYS 73 CO 0.38 -1.75 1.62 -0.44 -0.92 0.00 0.00 175.35 174.25 2k0f h ASP 74 N -1.15 0.73 -0.89 2.83 3.32 -2.00 0.16 116.42 119.42 2k0f h ASP 74 Ca -0.46 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.33 2k0f h ASP 74 Cb 1.31 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 2k0f h ASP 74 CO 0.60 0.81 0.54 0.74 -1.72 0.00 0.00 179.24 180.21 2k0f h THR 75 N 0.63 1.24 -0.18 0.35 2.02 -1.99 -1.70 112.91 113.28 2k0f h THR 75 Ca 0.14 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2k0f h THR 75 Cb 0.39 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2k0f h THR 75 CO 0.01 0.25 0.07 0.44 0.37 0.00 0.00 175.52 176.66 2k0f h ASP 76 N 1.22 0.26 -0.33 4.18 3.32 -1.89 -2.17 116.42 121.01 2k0f h ASP 76 Ca 0.32 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 76 Cb -0.06 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2k0f h ASP 76 CO -0.06 0.36 -0.17 0.28 -1.72 0.00 0.00 179.24 177.93 2k0f h SER 77 N 0.14 0.79 -0.06 6.45 0.02 -0.50 -1.04 113.55 119.35 2k0f h SER 77 Ca 0.06 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2k0f h SER 77 Cb 0.19 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2k0f h SER 77 CO -0.00 0.95 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.37 2k0f h GLU 78 N 0.70 0.44 -0.06 3.45 4.81 -1.35 -3.19 114.58 119.37 2k0f h GLU 78 Ca 0.11 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 78 Cb 0.66 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 78 CO 0.05 0.61 0.02 1.49 -0.73 0.00 0.00 179.01 180.45 2k0f h GLU 79 N 0.40 0.10 -0.25 1.92 4.81 -0.90 -3.31 114.58 117.35 2k0f h GLU 79 Ca 0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 79 Cb 0.56 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2k0f h GLU 79 CO 0.04 0.26 0.10 1.49 -0.73 0.00 0.00 179.01 180.17 2k0f h GLU 80 N -0.09 0.22 0.16 1.92 4.81 -1.19 -0.23 114.58 120.20 2k0f h GLU 80 Ca 0.02 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 2k0f h GLU 80 Cb 0.20 -0.05 0.03 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 80 CO -0.00 0.15 -1.25 0.82 -0.73 0.00 0.00 179.01 178.00 2k0f h ILE 81 N 0.23 1.31 -0.50 2.32 2.04 -1.75 -2.95 117.51 118.21 2k0f h ILE 81 Ca 0.11 -2.53 -0.07 0.00 1.00 0.00 0.00 64.86 63.37 2k0f h ILE 81 Cb 0.05 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 2k0f h ILE 81 CO -0.09 0.76 0.05 -0.09 0.00 0.00 0.00 178.15 178.78 2k0f h ARG 82 N 0.14 0.84 -0.49 2.37 2.43 -1.51 0.12 114.38 118.28 2k0f h ARG 82 Ca -0.20 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 2k0f h ARG 82 Cb 1.95 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.38 2k0f h ARG 82 CO 0.24 0.86 0.06 0.93 -1.51 0.00 0.00 179.97 180.54 2k0f h GLU 83 N 0.71 0.78 -0.00 0.20 4.39 -1.19 -2.66 114.58 116.81 2k0f h GLU 83 Ca 0.15 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 83 Cb 0.44 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2k0f h GLU 83 CO 0.02 0.75 -0.58 0.00 -1.16 0.00 0.00 179.01 178.03 2k0f h ALA 84 N 1.32 1.03 -0.60 3.43 0.00 -1.10 -2.51 119.26 120.83 2k0f h ALA 84 Ca 0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 84 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2k0f h ALA 84 CO 0.01 0.73 0.21 0.35 0.00 0.00 0.00 179.25 180.55 2k0f h PHE 85 N 0.01 0.91 0.00 0.00 3.57 -0.68 -2.79 116.94 117.96 2k0f h PHE 85 Ca -0.01 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 85 Cb 1.04 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 2k0f h PHE 85 CO 0.00 0.72 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.68 2k0f h ARG 86 N 0.88 0.00 -0.01 1.11 2.43 -1.17 0.17 114.38 117.78 2k0f h ARG 86 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 86 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2k0f h ARG 86 CO -0.01 0.03 -0.03 0.28 -1.51 0.00 0.00 179.97 178.73 2k0f h VAL 87 N 0.00 1.49 0.25 0.20 2.07 -1.43 -3.36 116.25 115.46 2k0f h VAL 87 Ca -0.00 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 2k0f h VAL 87 Cb 0.19 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2k0f h VAL 87 CO 0.00 0.39 -0.12 -0.26 0.02 0.00 0.00 177.57 177.60 2k0f h PHE 88 N -0.56 -0.31 -2.01 1.57 0.04 -1.42 -3.40 116.94 110.84 2k0f h PHE 88 Ca -0.00 -0.01 -0.51 0.00 2.80 0.00 0.00 57.97 60.25 2k0f h PHE 88 Cb 0.65 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2k0f h PHE 88 CO 0.14 0.05 1.42 0.34 -0.60 0.00 0.00 178.31 179.66 2k0f s ASP 89 N -5.22 5.17 0.24 2.17 2.15 0.54 -4.80 116.67 116.93 2k0f s ASP 89 Ca -0.14 0.77 0.18 0.00 0.43 0.00 0.00 52.55 53.79 2k0f s ASP 89 Cb 0.02 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2k0f s ASP 89 CO 0.53 -2.37 1.25 0.50 -0.17 0.00 0.00 175.17 174.91 2k0f h LYS 90 N 15.80 0.00 0.00 4.34 1.63 -1.80 -3.41 116.57 133.12 2k0f h LYS 90 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2k0f h LYS 90 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2k0f h LYS 90 CO 1.16 0.27 -0.07 -0.40 -3.45 0.00 0.00 179.45 176.97 2k0f n ASP 91 N -3.03 0.20 0.00 4.20 5.68 -1.26 -5.03 116.55 117.31 2k0f n ASP 91 Ca -0.01 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 2k0f n ASP 91 Cb 0.69 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.69 -0.12 0.09 6.12 0.00 -1.26 -5.06 105.19 106.65 2k0f n GLY 92 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.72 0.00 1.61 0.23 -1.26 -4.95 115.26 111.60 2k0f n ASN 93 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 2k0f n ASN 93 Cb 0.00 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.53 1.00 3.09 4.83 0.00 -1.26 -5.08 105.19 109.30 2k0f n GLY 94 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 1.92 -0.41 1.61 2.02 -1.26 -4.12 117.35 115.12 2k0f s TYR 95 Ca 0.00 -0.80 -0.25 0.00 -0.37 0.00 0.00 57.07 55.65 2k0f s TYR 95 Cb 0.00 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 2k0f s TYR 95 CO 0.00 -0.38 0.90 0.42 -1.57 0.00 0.00 175.55 174.92 2k0f s ILE 96 N 0.67 4.56 0.61 2.71 1.01 -0.35 -4.79 121.20 125.62 2k0f s ILE 96 Ca -0.13 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.48 2k0f s ILE 96 Cb -0.16 -4.36 0.07 0.00 0.01 0.00 0.00 42.46 38.03 2k0f s ILE 96 CO 0.04 -0.65 0.85 -0.94 0.00 0.00 0.00 174.94 174.24 2k0f s SER 97 N 2.04 4.93 0.33 3.58 1.04 -1.26 -1.38 113.70 122.97 2k0f s SER 97 Ca 0.36 -0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.65 2k0f s SER 97 Cb -0.11 -0.42 0.88 0.00 0.10 0.00 0.00 66.02 66.47 2k0f s SER 97 CO 0.22 -1.42 1.76 0.00 0.98 0.00 0.00 173.24 174.78 2k0f h ALA 98 N -0.12 1.84 0.56 5.32 0.00 -1.91 -2.45 119.26 122.51 2k0f h ALA 98 Ca -0.39 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 98 Cb 1.28 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 98 CO 0.46 -0.27 -0.27 0.00 0.00 0.00 0.00 179.25 179.18 2k0f h ALA 99 N 1.68 -0.75 0.07 0.00 0.00 -1.97 0.25 119.26 118.54 2k0f h ALA 99 Ca 0.61 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2k0f h ALA 99 Cb 1.16 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2k0f h ALA 99 CO -0.40 -0.82 -0.37 0.93 0.00 0.00 0.00 179.25 178.60 2k0f h GLU 100 N -0.96 -0.55 0.06 0.00 5.08 -1.92 -3.00 114.58 113.29 2k0f h GLU 100 Ca -0.08 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 100 Cb 0.64 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2k0f h GLU 100 CO 0.13 -0.36 -0.16 1.25 -1.00 0.00 0.00 179.01 178.86 2k0f h LEU 101 N -0.57 -0.44 -0.81 1.33 5.85 -1.25 -1.91 115.31 117.51 2k0f h LEU 101 Ca 0.04 0.06 0.20 0.00 0.84 0.00 0.00 57.88 59.01 2k0f h LEU 101 Cb 0.62 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 101 CO -0.25 -0.22 0.17 0.03 -0.34 0.00 0.00 178.44 177.83 2k0f h ARG 102 N -0.29 0.21 0.00 1.25 3.08 -1.01 -2.02 114.38 115.59 2k0f h ARG 102 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2k0f h ARG 102 Cb 0.33 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2k0f h ARG 102 CO -0.11 0.14 0.00 0.72 -1.07 0.00 0.00 179.97 179.65 2k0f n HIS 103 N -5.22 0.88 0.00 3.04 8.25 -1.07 -2.05 115.22 119.04 2k0f n HIS 103 Ca 0.17 0.28 -0.18 0.00 -0.26 0.00 0.00 57.72 57.73 2k0f n HIS 103 Cb 0.57 -0.95 -0.10 0.00 1.12 0.00 0.00 29.99 30.62 2k0f n HIS 103 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k0f h VAL 104 N 0.00 1.39 -1.00 1.59 2.07 -0.86 -1.49 116.25 117.95 2k0f h VAL 104 Ca 0.00 -2.05 0.15 0.00 0.82 0.00 0.00 66.70 65.62 2k0f h VAL 104 Cb 0.64 2.46 -0.09 0.00 -1.52 0.00 0.00 31.29 32.78 2k0f h VAL 104 CO 0.00 0.61 0.62 0.24 0.02 0.00 0.00 177.57 179.06 2k0f h MET 105 N 0.04 0.85 0.33 1.57 2.07 -0.79 0.21 114.93 119.21 2k0f h MET 105 Ca -0.08 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 105 Cb 1.35 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.87 2k0f h MET 105 CO 0.13 0.57 -0.23 1.15 1.07 0.00 0.00 176.91 179.60 2k0f h THR 106 N 0.88 0.53 0.01 2.22 2.02 -1.47 -0.38 112.91 116.72 2k0f h THR 106 Ca 0.53 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.74 2k0f h THR 106 Cb 0.69 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2k0f h THR 106 CO -0.31 0.00 -0.25 0.78 0.37 0.00 0.00 175.52 176.10 2k0f h ASN 107 N -0.54 -0.75 0.92 4.18 -0.26 0.03 -3.15 115.58 116.01 2k0f h ASN 107 Ca -0.03 0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 2k0f h ASN 107 Cb 0.46 0.30 -0.00 0.00 -1.06 0.00 0.00 38.32 38.02 2k0f h ASN 107 CO 0.02 -0.32 -0.16 -0.07 -1.06 0.00 0.00 177.43 175.83 2k0f h LEU 108 N -0.40 0.00 -1.13 1.61 3.38 -0.68 -3.41 115.31 114.68 2k0f h LEU 108 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k0f h LEU 108 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 108 CO -0.22 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2k0f n GLY 109 N 0.08 0.56 3.88 0.83 0.00 -0.22 -5.07 105.19 105.25 2k0f n GLY 109 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.30 3.67 -0.40 1.61 0.41 -0.79 -5.02 118.70 115.88 2k0f s GLU 110 Ca 0.00 0.47 0.05 0.00 -0.41 0.00 0.00 54.97 55.08 2k0f s GLU 110 Cb 0.00 -2.30 0.52 0.00 -1.78 0.00 0.00 34.13 30.57 2k0f s GLU 110 CO 0.00 -0.22 1.64 1.63 -0.49 0.00 0.00 175.26 177.82 2k0f n LYS 111 N -1.96 2.37 -3.06 1.61 5.02 -1.26 -4.89 118.16 115.99 2k0f n LYS 111 Ca 0.03 -3.32 -0.24 0.00 -2.02 0.00 0.00 58.31 52.75 2k0f n LYS 111 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -3.44 3.77 0.42 -0.35 1.43 -1.26 -5.08 118.68 114.18 2k0f s LEU 112 Ca 0.53 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 2k0f s LEU 112 Cb 0.45 -3.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 2k0f s LEU 112 CO 0.03 -0.54 0.81 0.42 0.23 0.00 0.00 176.35 177.30 2k0f s THR 113 N -2.51 4.73 0.20 5.49 -4.23 -1.26 -5.00 115.64 113.06 2k0f s THR 113 Ca 0.45 0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 61.61 2k0f s THR 113 Cb -0.10 -3.72 0.15 0.00 1.34 0.00 0.00 72.50 70.16 2k0f s THR 113 CO 0.39 -0.54 1.71 -0.78 -0.54 0.00 0.00 174.62 174.86 2k0f h ASP 114 N 1.23 0.02 -0.94 3.99 3.58 -2.02 -2.51 116.42 119.77 2k0f h ASP 114 Ca -0.47 0.10 0.23 0.00 0.42 0.00 0.00 57.03 57.31 2k0f h ASP 114 Cb 1.19 0.14 -0.12 0.00 1.72 0.00 0.00 39.33 42.25 2k0f h ASP 114 CO 0.63 0.02 0.48 -0.33 -2.88 0.00 0.00 179.24 177.17 2k0f h GLU 115 N 0.26 0.47 0.00 0.28 3.07 -2.02 -1.01 114.58 115.64 2k0f h GLU 115 Ca 0.30 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 2k0f h GLU 115 Cb 0.42 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2k0f h GLU 115 CO -0.38 0.31 -0.06 0.93 -1.40 0.00 0.00 179.01 178.42 2k0f h GLU 116 N 0.49 0.00 0.00 2.33 5.08 -1.85 -2.84 114.58 117.79 2k0f h GLU 116 Ca 0.59 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.80 2k0f h GLU 116 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2k0f h GLU 116 CO -0.50 0.06 -0.73 0.28 -1.00 0.00 0.00 179.01 177.12 2k0f h VAL 117 N 0.00 1.39 -0.43 3.13 2.07 -1.23 0.28 116.25 121.46 2k0f h VAL 117 Ca -0.00 -2.63 -0.14 0.00 0.82 0.00 0.00 66.70 64.75 2k0f h VAL 117 Cb 0.67 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2k0f h VAL 117 CO 0.01 0.72 -0.28 0.44 0.02 0.00 0.00 177.57 178.48 2k0f h ASP 118 N 0.00 0.98 -0.56 0.57 3.32 -1.60 -3.16 116.42 115.97 2k0f h ASP 118 Ca -0.01 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 2k0f h ASP 118 Cb 1.41 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 2k0f h ASP 118 CO 0.10 1.20 0.03 -0.08 -1.72 0.00 0.00 179.24 178.76 2k0f h GLU 119 N 0.77 1.00 -0.56 3.56 4.81 -1.15 -0.32 114.58 122.70 2k0f h GLU 119 Ca 0.09 -0.29 0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 119 Cb 0.86 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 2k0f h GLU 119 CO 0.08 0.97 0.10 0.52 -0.73 0.00 0.00 179.01 179.95 2k0f h MET 120 N 0.93 0.23 0.27 1.92 2.86 -1.05 0.38 114.93 120.47 2k0f h MET 120 Ca 0.17 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2k0f h MET 120 Cb 0.50 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 120 CO 0.02 0.15 -0.13 0.82 1.06 0.00 0.00 176.91 178.83 2k0f h ILE 121 N 0.24 0.78 -0.76 -1.22 1.08 -1.47 -2.56 117.51 113.59 2k0f h ILE 121 Ca 0.29 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2k0f h ILE 121 Cb 0.41 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 2k0f h ILE 121 CO -0.38 0.08 0.42 0.03 -0.69 0.00 0.00 178.15 177.60 2k0f h ARG 122 N -0.55 1.05 -0.47 2.37 3.08 -0.65 0.99 114.38 120.20 2k0f h ARG 122 Ca -0.04 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 122 Cb 0.40 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 2k0f h ARG 122 CO 0.06 0.78 -0.07 1.49 -1.07 0.00 0.00 179.97 181.16 2k0f h GLU 123 N 1.05 0.04 0.01 0.04 4.81 -0.31 -3.31 114.58 116.91 2k0f h GLU 123 Ca 0.27 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 123 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 123 CO -0.04 0.03 -0.89 0.00 -0.73 0.00 0.00 179.01 177.38 2k0f h ALA 124 N 1.45 0.54 -0.96 2.92 0.00 -0.74 -3.39 119.26 119.07 2k0f h ALA 124 Ca 0.23 -0.79 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 2k0f h ALA 124 Cb 0.35 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2k0f h ALA 124 CO -0.45 1.06 1.75 0.34 0.00 0.00 0.00 179.25 181.95 2k0f s ASP 125 N -6.79 6.53 0.19 0.00 2.15 0.33 -4.84 116.67 114.24 2k0f s ASP 125 Ca -0.00 -1.84 -0.11 0.00 0.43 0.00 0.00 52.55 51.02 2k0f s ASP 125 Cb 0.11 -2.57 0.21 0.00 -0.30 0.00 0.00 42.92 40.36 2k0f s ASP 125 CO 0.81 -1.48 1.75 -0.29 -0.17 0.00 0.00 175.17 175.79 2k0f h ILE 126 N 6.28 0.83 0.00 4.11 2.10 -1.79 -3.36 117.51 125.68 2k0f h ILE 126 Ca 0.30 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 66.10 2k0f h ILE 126 Cb 0.95 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 2k0f h ILE 126 CO 1.43 0.07 -0.04 -2.24 -1.08 0.00 0.00 178.15 176.29 2k0f h ASP 127 N 0.41 0.00 0.00 2.19 3.04 -1.93 -3.50 116.42 116.63 2k0f h ASP 127 Ca 0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.06 2k0f h ASP 127 Cb 0.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 2k0f h ASP 127 CO -0.25 0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.70 2k0f n GLY 128 N 1.87 0.07 0.19 7.15 0.00 -1.26 -5.04 105.19 108.18 2k0f n GLY 128 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 1.61 2.03 -1.96 -3.48 116.42 114.63 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 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 179.00 2k0f n GLY 130 N 1.11 0.93 3.16 7.15 0.00 -1.26 -5.10 105.19 111.17 2k0f n GLY 130 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.24 0.80 -0.30 1.61 -0.21 -1.26 -4.53 119.66 115.53 2k0f s GLN 131 Ca 0.00 -1.15 -0.06 0.00 0.02 0.00 0.00 55.36 54.17 2k0f s GLN 131 Cb 0.00 -0.42 0.02 0.00 1.00 0.00 0.00 33.01 33.61 2k0f s GLN 131 CO 0.00 0.05 0.08 0.08 -2.12 0.00 0.00 175.29 173.38 2k0f s VAL 132 N -2.60 3.88 0.00 1.09 1.01 -0.48 -4.71 120.40 118.59 2k0f s VAL 132 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2k0f s VAL 132 Cb -0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2k0f s VAL 132 CO -0.01 0.03 0.00 -0.46 0.00 0.00 0.00 175.10 174.66 2k0f n ASN 133 N 4.85 0.00 -0.02 3.32 0.23 -1.26 -1.22 115.26 121.16 2k0f n ASN 133 Ca -0.14 -0.43 -0.16 0.00 -0.53 0.00 0.00 54.58 53.32 2k0f n ASN 133 Cb 0.47 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.05 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 -0.14 0.28 -0.85 -2.53 3.20 -2.00 -2.80 116.97 112.11 2k0f h TYR 134 Ca 0.00 -0.16 0.08 0.00 3.14 0.00 0.00 58.73 61.79 2k0f h TYR 134 Cb 0.00 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 2k0f h TYR 134 CO 0.00 0.98 0.51 1.49 -1.64 0.00 0.00 178.16 179.51 2k0f h GLU 135 N -0.51 0.87 -0.70 1.82 4.81 -1.95 -2.02 114.58 116.90 2k0f h GLU 135 Ca -0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 135 Cb 1.07 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 135 CO 0.06 0.58 0.34 0.93 -0.73 0.00 0.00 179.01 180.18 2k0f h GLU 136 N 0.90 1.01 -0.11 1.92 5.08 -1.93 0.89 114.58 122.34 2k0f h GLU 136 Ca 0.39 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 136 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 136 CO -0.21 0.79 0.06 0.35 -1.00 0.00 0.00 179.01 179.01 2k0f h PHE 137 N 0.97 0.14 -0.08 4.33 3.57 -1.36 -2.72 116.94 121.80 2k0f h PHE 137 Ca 0.24 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 137 Cb 0.12 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2k0f h PHE 137 CO 0.01 0.13 -0.04 0.28 -2.23 0.00 0.00 178.31 176.45 2k0f h VAL 138 N 0.11 1.33 0.00 1.41 2.07 -1.06 -2.71 116.25 117.40 2k0f h VAL 138 Ca 0.04 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2k0f h VAL 138 Cb 0.03 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2k0f h VAL 138 CO -0.01 0.30 -0.13 1.56 0.02 0.00 0.00 177.57 179.31 2k0f h GLN 139 N -0.22 0.00 -0.02 1.57 4.20 -0.91 0.11 115.11 119.83 2k0f h GLN 139 Ca 0.02 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 2k0f h GLN 139 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2k0f h GLN 139 CO 0.01 0.13 -0.57 1.98 -0.67 0.00 0.00 178.83 179.71 2k0f h MET 140 N 0.00 0.07 0.00 1.46 4.05 -1.38 -3.27 114.93 115.87 2k0f h MET 140 Ca -0.00 -0.05 -0.26 0.00 -0.28 0.00 0.00 59.70 59.11 2k0f h MET 140 Cb 0.25 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 2k0f h MET 140 CO 0.02 0.62 -1.58 0.52 0.23 0.00 0.00 176.91 176.72 2k0f h MET 141 N 0.05 0.00 -0.01 0.39 2.86 -0.87 -3.51 114.93 113.84 2k0f h MET 141 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 141 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2k0f h MET 141 CO 0.08 0.48 0.00 0.25 1.06 0.00 0.00 176.91 178.78