#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 0.01 -0.80 -0.78 4.39 -2.04 -0.75 114.58 114.61 2k0f h GLU 2 Ca 0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 2 Cb 0.00 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2k0f h GLU 2 CO 0.00 0.22 0.39 1.49 -1.16 0.00 0.00 179.01 179.95 2k0f h GLU 3 N 0.01 1.14 -0.09 2.33 4.81 -2.06 -2.47 114.58 118.25 2k0f h GLU 3 Ca -0.00 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 3 Cb 0.38 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2k0f h GLU 3 CO 0.03 0.88 -0.16 1.96 -0.73 0.00 0.00 179.01 180.99 2k0f h GLN 4 N 1.13 0.28 -0.33 1.92 7.50 -1.64 -2.66 115.11 121.30 2k0f h GLN 4 Ca 0.27 -0.17 0.06 0.00 0.50 0.00 0.00 58.65 59.32 2k0f h GLN 4 Cb 0.11 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.60 2k0f h GLN 4 CO -0.04 0.75 -0.04 0.82 -1.50 0.00 0.00 178.83 178.82 2k0f h ILE 5 N -0.17 0.71 -0.43 2.54 1.08 -1.32 -1.87 117.51 118.06 2k0f h ILE 5 Ca 0.01 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2k0f h ILE 5 Cb 0.73 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2k0f h ILE 5 CO 0.04 0.01 0.28 0.00 -0.69 0.00 0.00 178.15 177.79 2k0f h ALA 6 N 1.31 1.81 -0.75 1.87 0.00 -1.49 -2.59 119.26 119.43 2k0f h ALA 6 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2k0f h ALA 6 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k0f h ALA 6 CO -0.31 0.14 0.36 1.49 0.00 0.00 0.00 179.25 180.94 2k0f h GLU 7 N 0.47 1.07 -0.67 0.00 4.81 -0.96 -0.20 114.58 119.10 2k0f h GLU 7 Ca 0.17 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 7 Cb 0.10 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 7 CO -0.04 0.83 0.09 0.74 -0.73 0.00 0.00 179.01 179.91 2k0f h PHE 8 N 1.05 1.19 -0.29 0.92 0.04 -1.52 -1.87 116.94 116.46 2k0f h PHE 8 Ca 0.26 -0.17 0.03 0.00 2.80 0.00 0.00 57.97 60.89 2k0f h PHE 8 Cb 0.11 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2k0f h PHE 8 CO 0.01 1.00 0.09 -0.22 -0.60 0.00 0.00 178.31 178.59 2k0f h LYS 9 N 1.04 0.21 -0.40 1.51 3.64 -1.03 -1.99 116.57 119.55 2k0f h LYS 9 Ca 0.20 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2k0f h LYS 9 Cb 0.46 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2k0f h LYS 9 CO 0.02 0.14 0.23 0.93 -2.27 0.00 0.00 179.45 178.50 2k0f h GLU 10 N 0.22 0.55 0.00 1.90 4.39 -1.03 0.45 114.58 121.06 2k0f h GLU 10 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2k0f h GLU 10 Cb 0.10 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 10 CO -0.14 0.40 -0.01 0.00 -1.16 0.00 0.00 179.01 178.10 2k0f h ALA 11 N 1.70 1.06 0.12 3.43 0.00 -0.72 -2.17 119.26 122.68 2k0f h ALA 11 Ca 0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 11 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k0f h ALA 11 CO -0.03 0.01 -1.86 0.35 0.00 0.00 0.00 179.25 177.73 2k0f h PHE 12 N 0.00 0.45 -0.24 0.00 3.57 0.48 -3.02 116.94 118.19 2k0f h PHE 12 Ca -0.00 -0.33 -0.18 0.00 3.53 0.00 0.00 57.97 60.99 2k0f h PHE 12 Cb 0.15 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2k0f h PHE 12 CO 0.00 1.61 -0.57 0.77 -2.23 0.00 0.00 178.31 177.89 2k0f h SER 13 N 0.07 0.84 -0.14 0.41 0.02 -0.82 -0.44 113.55 113.48 2k0f h SER 13 Ca -0.37 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.11 2k0f h SER 13 Cb 2.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 2k0f h SER 13 CO 0.11 1.23 0.06 0.25 -1.14 0.00 0.00 176.83 177.34 2k0f h LEU 14 N 0.57 0.24 0.14 5.07 5.85 -1.51 -3.17 115.31 122.50 2k0f h LEU 14 Ca 0.01 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 2k0f h LEU 14 Cb 1.16 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 42.15 2k0f h LEU 14 CO 0.12 0.24 -0.93 0.15 -0.34 0.00 0.00 178.44 177.68 2k0f h PHE 15 N 0.27 0.55 -3.74 1.25 3.04 -1.27 -3.43 116.94 113.60 2k0f h PHE 15 Ca 0.07 -0.40 -0.53 0.00 3.98 0.00 0.00 57.97 61.08 2k0f h PHE 15 Cb 0.08 -0.02 0.08 0.00 2.56 0.00 0.00 35.95 38.65 2k0f h PHE 15 CO 0.00 1.36 0.73 0.34 -2.02 0.00 0.00 178.31 178.72 2k0f s ASP 16 N -7.01 6.57 0.02 0.41 -1.08 -0.23 -4.95 116.67 110.40 2k0f s ASP 16 Ca -0.14 2.83 0.22 0.00 -0.52 0.00 0.00 52.55 54.93 2k0f s ASP 16 Cb 0.01 -2.65 -0.20 0.00 -1.46 0.00 0.00 42.92 38.63 2k0f s ASP 16 CO 0.83 -0.71 0.74 0.29 0.52 0.00 0.00 175.17 176.83 2k0f n LYS 17 N 1.15 0.46 -0.11 4.34 5.02 -1.26 -4.26 118.16 123.50 2k0f n LYS 17 Ca 0.02 -0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.03 2k0f n LYS 17 Cb 0.40 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 18 N -2.12 1.90 -0.56 4.39 8.00 -1.26 -5.05 116.55 121.85 2k0f n ASP 18 Ca -0.01 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2k0f n ASP 18 Cb 0.50 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.41 0.85 0.00 0.44 0.00 -1.26 -5.14 105.19 101.48 2k0f n GLY 19 Ca -0.33 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.53 0.00 -1.23 1.61 5.75 -1.26 -5.08 116.55 115.81 2k0f n ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 2k0f n ASP 20 Cb 0.19 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 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 5.00 0.75 3.04 6.12 0.00 -1.26 -5.07 105.19 113.77 2k0f n GLY 21 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.51 -0.17 2.61 -4.23 -1.26 -3.78 115.64 109.33 2k0f s THR 22 Ca 0.17 -0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 59.77 2k0f s THR 22 Cb 0.19 -0.54 -0.03 0.00 1.34 0.00 0.00 72.50 73.45 2k0f s THR 22 CO -0.08 -0.24 0.01 -0.63 -0.54 0.00 0.00 174.62 173.14 2k0f s ILE 23 N -1.04 4.36 0.00 2.99 1.01 -0.75 -4.98 121.20 122.79 2k0f s ILE 23 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2k0f s ILE 23 Cb -0.08 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2k0f s ILE 23 CO 0.00 0.48 0.00 0.35 0.00 0.00 0.00 174.94 175.77 2k0f n THR 24 N 3.49 0.00 -0.13 2.92 -2.24 -1.26 -1.97 114.28 115.10 2k0f n THR 24 Ca -0.17 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 2k0f n THR 24 Cb 0.52 -1.20 0.15 0.00 -2.10 0.00 0.00 70.33 67.71 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -0.13 1.24 0.73 4.28 1.35 -1.96 -3.25 112.91 115.17 2k0f h THR 25 Ca 0.00 -0.97 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 2k0f h THR 25 Cb 0.00 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 2k0f h THR 25 CO 0.00 0.35 -0.50 0.11 -0.25 0.00 0.00 175.52 175.23 2k0f h LYS 26 N 0.79 -1.13 0.00 4.72 1.57 -1.99 -1.13 116.57 119.40 2k0f h LYS 26 Ca 0.16 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2k0f h LYS 26 Cb 0.42 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k0f h LYS 26 CO 0.02 -0.75 0.00 0.39 -0.57 0.00 0.00 179.45 178.53 2k0f n GLU 27 N -5.62 0.16 -0.08 3.15 1.02 -1.23 -0.44 120.64 117.61 2k0f n GLU 27 Ca -0.14 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 2k0f n GLU 27 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 2k0f n GLU 27 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2k0f n LEU 28 N -1.11 1.45 -0.12 -4.62 7.94 -1.16 -4.25 117.00 115.12 2k0f n LEU 28 Ca 0.04 0.15 -0.11 0.00 -1.11 0.00 0.00 56.01 54.98 2k0f n LEU 28 Cb 0.03 -0.49 -0.02 0.00 0.53 0.00 0.00 43.42 43.47 2k0f n LEU 28 CO 0.04 0.41 0.72 1.23 -1.11 0.00 0.00 177.39 178.68 2k0f h GLY 29 N -0.30 0.75 -0.13 -3.96 0.00 -0.97 -0.52 103.07 97.94 2k0f h GLY 29 Ca -0.40 -0.61 0.22 0.00 0.00 0.00 0.00 47.33 46.54 2k0f h GLY 29 CO -0.22 0.56 0.48 -0.91 0.00 0.00 0.00 176.54 176.45 2k0f h THR 30 N 0.49 0.53 -0.05 4.70 1.35 -1.00 -0.98 112.91 117.95 2k0f h THR 30 Ca 0.09 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2k0f h THR 30 Cb 0.59 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2k0f h THR 30 CO 0.03 0.09 -0.00 0.58 -0.25 0.00 0.00 175.52 175.97 2k0f h VAL 31 N 0.50 1.27 -0.73 6.82 2.07 -1.68 -2.47 116.25 122.02 2k0f h VAL 31 Ca 0.58 -0.81 0.13 0.00 0.82 0.00 0.00 66.70 67.42 2k0f h VAL 31 Cb 1.08 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 2k0f h VAL 31 CO -0.49 0.22 0.48 -0.03 0.02 0.00 0.00 177.57 177.78 2k0f h MET 32 N -0.23 0.47 -0.00 1.57 4.05 -0.65 -1.30 114.93 118.84 2k0f h MET 32 Ca 0.01 -0.03 -0.21 0.00 -0.28 0.00 0.00 59.70 59.19 2k0f h MET 32 Cb 0.35 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2k0f h MET 32 CO 0.00 0.31 -0.90 0.00 0.23 0.00 0.00 176.91 176.56 2k0f h ARG 33 N 0.49 0.32 -0.71 0.39 3.08 -0.91 -1.19 114.38 115.85 2k0f h ARG 33 Ca 0.35 -0.34 0.18 0.00 0.07 0.00 0.00 59.98 60.24 2k0f h ARG 33 Cb 0.69 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 2k0f h ARG 33 CO -0.12 1.03 0.49 1.03 -1.07 0.00 0.00 179.97 181.33 2k0f h SER 34 N 0.18 0.17 0.00 7.04 0.87 -0.76 -3.15 113.55 117.91 2k0f h SER 34 Ca -0.06 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2k0f h SER 34 Cb 1.52 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2k0f h SER 34 CO 0.15 0.08 -0.29 -0.07 -0.53 0.00 0.00 176.83 176.17 2k0f h LEU 35 N 0.18 0.00 0.00 2.23 3.38 -1.48 -3.47 115.31 116.15 2k0f h LEU 35 Ca 0.34 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k0f h LEU 35 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2k0f h LEU 35 CO -0.06 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2k0f n GLY 36 N 1.67 0.00 2.97 0.83 0.00 -0.55 -5.11 105.19 105.01 2k0f n GLY 36 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 0.13 -0.60 1.61 -1.52 -0.63 -4.99 119.66 113.66 2k0f s GLN 37 Ca 0.00 0.06 -0.09 0.00 -1.95 0.00 0.00 55.36 53.38 2k0f s GLN 37 Cb 0.00 0.06 0.16 0.00 -0.22 0.00 0.00 33.01 33.00 2k0f s GLN 37 CO 0.00 -0.02 0.49 -0.80 -0.25 0.00 0.00 175.29 174.71 2k0f s ASN 38 N -0.08 5.88 0.84 5.90 0.01 -1.26 -2.57 114.94 123.66 2k0f s ASN 38 Ca -0.01 -2.35 -0.11 0.00 -0.71 0.00 0.00 52.86 49.68 2k0f s ASN 38 Cb -0.01 -2.03 0.10 0.00 0.41 0.00 0.00 41.25 39.71 2k0f s ASN 38 CO 0.00 -0.59 1.09 -2.16 -1.51 0.00 0.00 177.10 173.93 2k0f s PRO 39 N 0.70 1.68 0.28 -0.60 0.04 -1.26 -5.10 135.00 130.74 2k0f s PRO 39 Ca 0.12 0.90 0.11 0.00 0.04 0.00 0.00 61.00 62.16 2k0f s PRO 39 Cb -0.21 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0f s PRO 39 CO -0.03 -1.97 -0.09 -0.08 0.04 0.00 0.00 177.00 174.87 2k0f s THR 40 N -2.96 2.90 0.03 1.26 -1.32 -1.26 -5.04 115.64 109.26 2k0f s THR 40 Ca 0.62 -2.14 -0.22 0.00 -1.21 0.00 0.00 61.69 58.74 2k0f s THR 40 Cb -0.17 -2.60 -0.16 0.00 -1.51 0.00 0.00 72.50 68.06 2k0f s THR 40 CO 0.56 -0.36 1.37 -0.08 -2.21 0.00 0.00 174.62 173.91 2k0f h GLU 41 N 2.04 0.21 -0.80 7.08 4.81 -1.97 -0.25 114.58 125.70 2k0f h GLU 41 Ca -0.42 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 41 Cb 1.25 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 2k0f h GLU 41 CO 0.61 0.57 0.48 0.00 -0.73 0.00 0.00 179.01 179.94 2k0f h ALA 42 N 0.63 1.09 -0.41 2.92 0.00 -1.99 0.27 119.26 121.78 2k0f h ALA 42 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 42 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 42 CO 0.01 0.19 -0.17 0.93 0.00 0.00 0.00 179.25 180.22 2k0f h GLU 43 N 0.87 0.77 -0.20 0.00 5.08 -1.80 -2.55 114.58 116.75 2k0f h GLU 43 Ca 0.35 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 43 Cb 0.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 43 CO -0.18 0.89 -0.16 1.25 -1.00 0.00 0.00 179.01 179.81 2k0f h LEU 44 N 0.69 0.49 -1.23 1.33 5.85 -0.69 -2.11 115.31 119.64 2k0f h LEU 44 Ca 0.11 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 2k0f h LEU 44 Cb 0.66 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2k0f h LEU 44 CO 0.05 0.84 -0.34 -0.61 -0.34 0.00 0.00 178.44 178.03 2k0f h GLN 45 N 0.15 0.07 0.00 1.25 4.15 -0.39 -2.70 115.11 117.64 2k0f h GLN 45 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2k0f h GLN 45 Cb 0.68 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2k0f h GLN 45 CO 0.04 0.41 0.00 -0.25 -1.93 0.00 0.00 178.83 177.10 2k0f n ASP 46 N -4.11 0.18 -0.01 -0.69 8.00 -0.97 -1.41 116.55 117.54 2k0f n ASP 46 Ca -0.02 0.53 -0.17 0.00 0.71 0.00 0.00 54.79 55.84 2k0f n ASP 46 Cb 0.40 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 2k0f n ASP 46 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2k0f h MET 47 N 0.00 0.76 -0.17 -1.24 2.86 -1.06 -3.36 114.93 112.72 2k0f h MET 47 Ca 0.00 -0.63 -0.19 0.00 -2.06 0.00 0.00 59.70 56.82 2k0f h MET 47 Cb 0.44 0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 47 CO 0.00 1.24 -0.63 0.82 1.06 0.00 0.00 176.91 179.40 2k0f h ILE 48 N 0.52 1.30 0.00 -1.22 2.04 -1.25 -3.12 117.51 115.78 2k0f h ILE 48 Ca -0.05 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.95 2k0f h ILE 48 Cb 1.41 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2k0f h ILE 48 CO 0.16 0.58 0.00 -3.20 0.00 0.00 0.00 178.15 175.69 2k0f n ASN 49 N -4.06 0.00 0.02 1.72 5.15 -0.50 -0.75 115.26 116.84 2k0f n ASN 49 Ca -0.07 -0.21 -0.10 0.00 -0.60 0.00 0.00 54.58 53.60 2k0f n ASN 49 Cb 0.67 -0.11 -0.13 0.00 -0.53 0.00 0.00 39.78 39.67 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2k0f h GLU 50 N 0.00 0.06 0.03 1.20 5.08 -1.70 -3.35 114.58 115.90 2k0f h GLU 50 Ca 0.00 -0.10 -0.29 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 50 Cb 0.05 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2k0f h GLU 50 CO 0.00 0.79 -1.63 0.28 -1.00 0.00 0.00 179.01 177.45 2k0f h VAL 51 N 0.02 0.97 -2.66 3.13 2.07 -1.22 -3.47 116.25 115.08 2k0f h VAL 51 Ca -0.20 -2.76 -0.53 0.00 0.82 0.00 0.00 66.70 64.03 2k0f h VAL 51 Cb 1.94 2.53 0.03 0.00 -1.52 0.00 0.00 31.29 34.27 2k0f h VAL 51 CO 0.11 0.64 1.01 -0.62 0.02 0.00 0.00 177.57 178.74 2k0f s ASP 52 N -6.40 6.55 -0.12 0.57 -1.08 0.07 -4.86 116.67 111.40 2k0f s ASP 52 Ca -0.07 2.57 -0.08 0.00 -0.52 0.00 0.00 52.55 54.46 2k0f s ASP 52 Cb 0.08 -2.57 -0.26 0.00 -1.46 0.00 0.00 42.92 38.71 2k0f s ASP 52 CO 0.82 -0.91 0.37 0.00 0.52 0.00 0.00 175.17 175.97 2k0f n ALA 53 N 5.41 0.86 -0.00 3.66 0.00 -1.26 -4.30 120.51 124.88 2k0f n ALA 53 Ca 0.16 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 2k0f n ALA 53 Cb 0.40 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k0f h ASP 54 N -0.00 0.01 -0.14 0.00 3.32 -1.92 -3.48 116.42 114.20 2k0f h ASP 54 Ca -0.42 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.25 2k0f h ASP 54 Cb 1.99 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 2k0f h ASP 54 CO 0.07 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 2k0f n GLY 55 N -0.04 0.95 0.00 2.75 0.00 -1.26 -5.06 105.19 102.53 2k0f n GLY 55 Ca -0.08 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.17 2.70 0.00 1.61 6.94 -1.26 -5.02 115.26 120.41 2k0f n ASN 56 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 2k0f n ASN 56 Cb 0.07 1.12 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 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 1.85 0.55 3.76 4.83 0.00 -1.26 -5.07 105.19 109.85 2k0f n GLY 57 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 3.89 -0.15 2.61 -4.23 -1.26 -4.62 115.64 109.88 2k0f s THR 58 Ca 0.00 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2k0f s THR 58 Cb 0.00 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 2k0f s THR 58 CO 0.00 -0.32 0.14 -0.51 -0.54 0.00 0.00 174.62 173.39 2k0f s ILE 59 N -2.24 5.46 0.36 2.99 2.07 -0.83 -4.80 121.20 124.21 2k0f s ILE 59 Ca 0.34 0.22 0.08 0.00 -1.41 0.00 0.00 60.65 59.87 2k0f s ILE 59 Cb -0.07 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 39.05 2k0f s ILE 59 CO 0.23 0.54 0.22 -1.81 -1.91 0.00 0.00 174.94 172.22 2k0f s ASP 60 N -0.45 4.85 0.08 4.50 1.11 -1.26 -1.81 116.67 123.69 2k0f s ASP 60 Ca 0.12 -0.74 -0.25 0.00 0.18 0.00 0.00 52.55 51.86 2k0f s ASP 60 Cb -0.12 -0.73 -0.16 0.00 1.07 0.00 0.00 42.92 42.99 2k0f s ASP 60 CO 0.02 -0.40 1.71 0.15 1.18 0.00 0.00 175.17 177.82 2k0f h PHE 61 N 1.38 -0.14 0.00 4.23 3.57 -2.00 -1.08 116.94 122.90 2k0f h PHE 61 Ca -0.43 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2k0f h PHE 61 Cb 1.25 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2k0f h PHE 61 CO 0.59 -0.08 0.02 -1.00 -2.23 0.00 0.00 178.31 175.61 2k0f h PRO 62 N -0.16 0.00 0.08 6.41 0.13 -1.97 0.16 132.00 136.65 2k0f h PRO 62 Ca -0.02 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.90 2k0f h PRO 62 Cb 0.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k0f h PRO 62 CO 0.03 0.00 -1.11 0.93 -0.23 0.00 0.00 178.00 177.61 2k0f h GLU 63 N 0.00 0.18 -0.24 0.86 5.08 -1.71 -2.41 114.58 116.33 2k0f h GLU 63 Ca 0.00 -0.30 0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 63 Cb 0.04 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 63 CO 0.00 1.15 -0.14 0.35 -1.00 0.00 0.00 179.01 179.36 2k0f h PHE 64 N -0.52 -0.36 -0.04 4.33 3.57 -0.96 -2.71 116.94 120.26 2k0f h PHE 64 Ca -0.25 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 2k0f h PHE 64 Cb 1.57 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.50 2k0f h PHE 64 CO 0.15 -0.21 0.02 1.25 -2.23 0.00 0.00 178.31 177.29 2k0f h LEU 65 N -0.12 0.05 -1.82 0.59 5.85 -0.81 -1.90 115.31 117.16 2k0f h LEU 65 Ca 0.13 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2k0f h LEU 65 Cb 0.33 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2k0f h LEU 65 CO -0.32 0.14 0.25 0.74 -0.34 0.00 0.00 178.44 178.90 2k0f h THR 66 N -0.05 0.94 0.01 1.05 2.02 -1.43 0.34 112.91 115.78 2k0f h THR 66 Ca 0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2k0f h THR 66 Cb 0.10 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2k0f h THR 66 CO -0.00 0.04 -0.00 -0.03 0.37 0.00 0.00 175.52 175.90 2k0f h MET 67 N 0.23 -0.01 0.00 6.66 1.85 -1.32 -3.30 114.93 119.04 2k0f h MET 67 Ca 0.16 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.13 2k0f h MET 67 Cb 0.35 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.36 2k0f h MET 67 CO -0.03 0.78 -0.57 0.52 -0.40 0.00 0.00 176.91 177.21 2k0f h MET 68 N -0.81 0.00 0.00 0.39 2.07 -1.02 -3.20 114.93 112.35 2k0f h MET 68 Ca -0.00 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.57 2k0f h MET 68 Cb 0.79 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.51 2k0f h MET 68 CO 0.00 0.57 -0.41 0.00 1.07 0.00 0.00 176.91 178.14 2k0f h ALA 69 N 1.43 0.79 -2.73 6.32 0.00 -0.50 -3.44 119.26 121.13 2k0f h ALA 69 Ca -0.01 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 69 Cb 1.29 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 69 CO 0.07 0.33 0.03 0.50 0.00 0.00 0.00 179.25 180.19 2k0f s ARG 70 N -3.10 4.36 -0.05 0.00 3.52 -1.21 -5.07 118.95 117.41 2k0f s ARG 70 Ca 0.04 0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 56.36 2k0f s ARG 70 Cb 0.07 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2k0f s ARG 70 CO 0.72 0.34 0.27 -1.59 -0.81 0.00 0.00 175.30 174.24 2k0f s LYS 71 N -0.14 3.65 0.63 5.12 -2.85 -1.26 -4.91 119.74 119.98 2k0f s LYS 71 Ca 0.33 0.10 -0.11 0.00 -1.00 0.00 0.00 55.97 55.29 2k0f s LYS 71 Cb -0.19 -3.18 0.14 0.00 -2.06 0.00 0.00 37.83 32.55 2k0f s LYS 71 CO 0.19 0.72 0.85 -1.33 0.10 0.00 0.00 175.35 175.88 2k0f n MET 72 N 1.75 -0.82 -2.14 1.78 2.81 -1.26 -5.06 117.12 114.17 2k0f n MET 72 Ca -0.16 -1.32 -0.37 0.00 -1.81 0.00 0.00 57.70 54.04 2k0f n MET 72 Cb 0.54 -0.87 0.01 0.00 -0.71 0.00 0.00 33.22 32.18 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 -4.86 3.54 0.34 0.03 -2.85 -1.26 -4.77 119.74 109.92 2k0f s LYS 73 Ca 0.48 1.86 0.26 0.00 -1.00 0.00 0.00 55.97 57.58 2k0f s LYS 73 Cb -0.01 -2.31 0.92 0.00 -2.06 0.00 0.00 37.83 34.37 2k0f s LYS 73 CO 0.34 -0.76 1.78 -0.44 0.10 0.00 0.00 175.35 176.37 2k0f h ASP 74 N 1.77 0.00 0.32 0.03 3.32 -1.97 -2.02 116.42 117.87 2k0f h ASP 74 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2k0f h ASP 74 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k0f h ASP 74 CO 0.59 0.00 -0.15 0.71 -1.72 0.00 0.00 179.24 178.67 2k0f h THR 75 N 0.00 0.63 -0.24 0.35 1.35 -1.98 -2.08 112.91 110.93 2k0f h THR 75 Ca 0.00 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 2k0f h THR 75 Cb 0.60 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2k0f h THR 75 CO 0.00 0.12 0.03 0.44 -0.25 0.00 0.00 175.52 175.86 2k0f h ASP 76 N -0.84 0.32 1.32 5.36 5.19 -1.80 0.21 116.42 126.17 2k0f h ASP 76 Ca -0.04 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.26 2k0f h ASP 76 Cb 0.52 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2k0f h ASP 76 CO 0.07 0.35 -0.31 0.28 -3.12 0.00 0.00 179.24 176.51 2k0f h SER 77 N 0.35 0.00 0.18 6.45 0.02 -1.47 0.12 113.55 119.20 2k0f h SER 77 Ca 0.08 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.70 2k0f h SER 77 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k0f h SER 77 CO 0.00 0.31 -1.65 -0.08 -1.14 0.00 0.00 176.83 174.28 2k0f h GLU 78 N 0.00 0.39 -0.98 3.45 4.81 -0.54 -3.25 114.58 118.45 2k0f h GLU 78 Ca -0.00 -0.66 0.14 0.00 -0.13 0.00 0.00 59.36 58.70 2k0f h GLU 78 Cb 1.06 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.59 2k0f h GLU 78 CO 0.04 1.32 0.60 1.49 -0.73 0.00 0.00 179.01 181.73 2k0f h GLU 79 N 0.03 0.88 -0.98 1.92 4.81 -0.65 -1.78 114.58 118.82 2k0f h GLU 79 Ca -0.33 -0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 79 Cb 2.04 -0.20 -0.13 0.00 0.63 0.00 0.00 28.75 31.09 2k0f h GLU 79 CO 0.17 0.58 0.54 1.49 -0.73 0.00 0.00 179.01 181.06 2k0f h GLU 80 N 0.91 0.47 -0.11 1.92 4.81 -0.85 0.23 114.58 121.96 2k0f h GLU 80 Ca 0.51 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.57 2k0f h GLU 80 Cb 0.58 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 80 CO -0.30 0.31 -0.47 0.82 -0.73 0.00 0.00 179.01 178.64 2k0f h ILE 81 N 0.48 1.37 -0.81 2.32 2.04 -1.36 -0.75 117.51 120.80 2k0f h ILE 81 Ca 0.65 -1.79 0.07 0.00 1.00 0.00 0.00 64.86 64.79 2k0f h ILE 81 Cb 1.29 2.18 -0.10 0.00 -0.74 0.00 0.00 36.82 39.45 2k0f h ILE 81 CO -0.52 0.54 -0.48 0.54 0.00 0.00 0.00 178.15 178.23 2k0f n ARG 82 N -4.26 -0.36 -0.11 2.37 1.74 -0.94 -0.04 116.66 115.07 2k0f n ARG 82 Ca -0.08 1.36 -0.05 0.00 -0.77 0.00 0.00 57.85 58.31 2k0f n ARG 82 Cb 0.58 -2.00 0.01 0.00 -1.02 0.00 0.00 32.46 30.03 2k0f n ARG 82 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2k0f h GLU 83 N 0.00 -0.02 -0.47 5.56 4.39 -1.03 -2.35 114.58 120.66 2k0f h GLU 83 Ca 0.13 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2k0f h GLU 83 CO -0.76 -0.01 -0.22 0.00 -1.16 0.00 0.00 179.01 176.86 2k0f h ALA 84 N 1.33 0.73 -0.93 3.43 0.00 -0.75 -2.98 119.26 120.09 2k0f h ALA 84 Ca 0.18 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 84 Cb 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 2k0f h ALA 84 CO -0.39 0.67 0.60 0.35 0.00 0.00 0.00 179.25 180.48 2k0f h PHE 85 N 0.82 1.03 0.00 0.00 3.57 -0.36 -2.92 116.94 119.09 2k0f h PHE 85 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2k0f h PHE 85 Cb 0.79 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2k0f h PHE 85 CO 0.05 0.47 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.47 2k0f h ARG 86 N 0.95 0.00 0.13 1.11 2.43 -1.25 0.22 114.38 117.97 2k0f h ARG 86 Ca 0.44 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.32 2k0f h ARG 86 Cb 0.39 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2k0f h ARG 86 CO -0.20 0.04 -1.18 0.28 -1.51 0.00 0.00 179.97 177.41 2k0f h VAL 87 N 0.00 1.32 0.19 0.20 2.07 -1.59 -3.33 116.25 115.11 2k0f h VAL 87 Ca -0.00 -2.46 -0.31 0.00 0.82 0.00 0.00 66.70 64.75 2k0f h VAL 87 Cb 0.16 2.78 0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2k0f h VAL 87 CO 0.01 0.74 -1.42 -0.26 0.02 0.00 0.00 177.57 176.66 2k0f h PHE 88 N 0.17 0.74 -0.94 1.57 0.04 -1.50 -3.37 116.94 113.64 2k0f h PHE 88 Ca -0.18 -0.54 -0.60 0.00 2.80 0.00 0.00 57.97 59.44 2k0f h PHE 88 Cb 1.87 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 39.91 2k0f h PHE 88 CO 0.13 1.45 1.75 0.34 -0.60 0.00 0.00 178.31 181.37 2k0f s ASP 89 N -7.35 6.48 0.08 2.17 2.15 0.75 -4.54 116.67 116.41 2k0f s ASP 89 Ca -0.07 -1.86 -0.35 0.00 0.43 0.00 0.00 52.55 50.69 2k0f s ASP 89 Cb 0.05 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.91 -1.52 1.57 0.11 -0.17 0.00 0.00 175.17 176.07 2k0f h LYS 90 N 8.89 -0.98 0.62 4.34 1.79 -1.74 -3.34 116.57 126.15 2k0f h LYS 90 Ca 0.31 0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.82 2k0f h LYS 90 Cb 0.94 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 2k0f h LYS 90 CO 1.42 -0.65 -0.49 0.38 -1.08 0.00 0.00 179.45 179.02 2k0f h ASP 91 N -1.02 -1.31 0.00 0.86 3.04 -1.92 -3.48 116.42 112.60 2k0f h ASP 91 Ca -0.07 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2k0f h ASP 91 Cb 0.87 0.41 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2k0f h ASP 91 CO -0.02 -0.70 0.00 0.61 -2.04 0.00 0.00 179.24 177.09 2k0f n GLY 92 N -1.58 1.77 0.01 7.15 0.00 -1.26 -5.05 105.19 106.23 2k0f n GLY 92 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 0.33 0.00 1.61 6.94 -1.26 -4.99 115.26 117.89 2k0f n ASN 93 Ca 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 2k0f n ASN 93 Cb 0.00 1.61 0.00 0.00 -2.36 0.00 0.00 39.78 39.03 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.33 1.30 2.68 4.83 0.00 -1.26 -5.08 105.19 108.99 2k0f n GLY 94 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 0.23 -0.45 1.61 2.02 -1.26 -4.30 117.35 113.20 2k0f s TYR 95 Ca 0.00 0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.44 2k0f s TYR 95 Cb 0.00 -0.60 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2k0f s TYR 95 CO 0.00 -0.30 1.10 0.42 -1.57 0.00 0.00 175.55 175.21 2k0f s ILE 96 N 2.12 4.28 0.41 2.71 1.01 0.11 -4.76 121.20 127.07 2k0f s ILE 96 Ca 0.04 1.25 0.08 0.00 0.00 0.00 0.00 60.65 62.02 2k0f s ILE 96 Cb -0.13 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.79 2k0f s ILE 96 CO -0.05 -0.91 0.53 -0.55 0.00 0.00 0.00 174.94 173.96 2k0f s SER 97 N 2.31 5.63 0.13 3.58 0.15 -1.26 -2.83 113.70 121.40 2k0f s SER 97 Ca 0.46 -0.43 -0.33 0.00 0.70 0.00 0.00 55.95 56.36 2k0f s SER 97 Cb -0.08 -0.73 -0.10 0.00 -1.71 0.00 0.00 66.02 63.39 2k0f s SER 97 CO 0.29 -0.70 1.55 0.00 1.20 0.00 0.00 173.24 175.58 2k0f h ALA 98 N 0.73 -0.78 -0.09 5.45 0.00 -1.94 0.82 119.26 123.45 2k0f h ALA 98 Ca -0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 98 Cb 1.27 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.15 2k0f h ALA 98 CO 0.48 -1.05 -0.13 0.00 0.00 0.00 0.00 179.25 178.55 2k0f h ALA 99 N -0.05 1.62 -0.10 0.00 0.00 -1.98 -0.66 119.26 118.10 2k0f h ALA 99 Ca 0.07 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 99 Cb 0.61 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k0f h ALA 99 CO -0.57 0.28 -0.55 0.93 0.00 0.00 0.00 179.25 179.33 2k0f h GLU 100 N 0.13 0.55 -0.51 0.00 5.08 -1.85 -1.03 114.58 116.94 2k0f h GLU 100 Ca 0.03 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 2k0f h GLU 100 Cb 0.32 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 100 CO 0.02 1.09 0.06 1.25 -1.00 0.00 0.00 179.01 180.43 2k0f h LEU 101 N 0.16 0.83 -0.97 1.33 6.46 -0.78 -1.09 115.31 121.24 2k0f h LEU 101 Ca -0.04 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.44 2k0f h LEU 101 Cb 1.20 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.86 2k0f h LEU 101 CO 0.11 0.90 0.59 0.03 -0.62 0.00 0.00 178.44 179.45 2k0f h ARG 102 N 0.74 1.29 0.00 1.25 3.08 -1.09 -2.43 114.38 117.23 2k0f h ARG 102 Ca 0.15 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 102 Cb 0.43 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2k0f h ARG 102 CO 0.01 0.89 -0.28 0.45 -1.07 0.00 0.00 179.97 179.98 2k0f h HIS 103 N 1.32 0.00 -0.76 3.04 3.86 -0.90 -1.61 115.15 120.10 2k0f h HIS 103 Ca 0.35 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.52 2k0f h HIS 103 Cb -0.08 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2k0f h HIS 103 CO 0.00 0.28 0.34 0.28 0.86 0.00 0.00 177.93 179.69 2k0f h VAL 104 N 0.00 1.24 -0.45 2.45 2.07 -0.75 -1.65 116.25 119.16 2k0f h VAL 104 Ca -0.00 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 2k0f h VAL 104 Cb 0.75 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2k0f h VAL 104 CO 0.04 0.30 -0.02 0.24 0.02 0.00 0.00 177.57 178.15 2k0f h MET 105 N 1.08 0.81 -0.23 1.57 2.07 -1.02 -2.56 114.93 116.66 2k0f h MET 105 Ca 0.26 -0.27 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 0.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.80 2k0f h MET 105 CO -0.03 0.88 0.07 1.15 1.07 0.00 0.00 176.91 180.05 2k0f h THR 106 N 0.66 1.11 0.00 2.22 2.02 -0.92 0.14 112.91 118.14 2k0f h THR 106 Ca 0.13 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 2k0f h THR 106 Cb 0.52 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2k0f h THR 106 CO 0.03 0.13 -0.40 0.78 0.37 0.00 0.00 175.52 176.43 2k0f h ASN 107 N 0.33 0.00 0.13 4.18 -0.26 -0.90 -2.81 115.58 116.25 2k0f h ASN 107 Ca 0.08 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.55 2k0f h ASN 107 Cb 0.11 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.40 2k0f h ASN 107 CO -0.01 0.40 -1.16 -0.07 -1.06 0.00 0.00 177.43 175.54 2k0f h LEU 108 N 0.00 0.78 0.00 1.61 3.38 -1.18 -3.46 115.31 116.44 2k0f h LEU 108 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2k0f h LEU 108 Cb 0.87 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k0f h LEU 108 CO 0.05 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.75 2k0f n GLY 109 N 1.45 0.76 3.62 0.83 0.00 0.36 -4.83 105.19 107.39 2k0f n GLY 109 Ca -0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -1.16 1.52 0.47 1.61 -6.30 -0.44 -4.97 118.70 109.43 2k0f s GLU 110 Ca 0.00 -0.97 0.08 0.00 -2.50 0.00 0.00 54.97 51.58 2k0f s GLU 110 Cb 0.00 0.53 0.03 0.00 0.00 0.00 0.00 34.13 34.70 2k0f s GLU 110 CO 0.00 -0.66 0.61 -1.59 0.02 0.00 0.00 175.26 173.64 2k0f s LYS 111 N -3.91 2.62 -0.30 4.30 -2.85 -1.26 -3.48 119.74 114.85 2k0f s LYS 111 Ca 0.12 -1.43 -0.11 0.00 -1.00 0.00 0.00 55.97 53.55 2k0f s LYS 111 Cb -0.02 -2.66 0.18 0.00 -2.06 0.00 0.00 37.83 33.27 2k0f s LYS 111 CO 0.02 -0.46 0.98 -1.17 0.10 0.00 0.00 175.35 174.82 2k0f s LEU 112 N -4.42 -0.60 1.04 2.77 2.96 -1.26 -4.97 118.68 114.19 2k0f s LEU 112 Ca 0.56 0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 54.67 2k0f s LEU 112 Cb -0.08 1.51 0.24 0.00 0.50 0.00 0.00 46.19 48.36 2k0f s LEU 112 CO 0.34 -0.11 1.32 0.42 -1.32 0.00 0.00 176.35 177.00 2k0f s THR 113 N 2.94 1.92 0.13 3.68 -4.23 -1.26 -4.77 115.64 114.05 2k0f s THR 113 Ca 0.02 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 2k0f s THR 113 Cb -0.11 -2.92 -0.20 0.00 1.34 0.00 0.00 72.50 70.60 2k0f s THR 113 CO -0.13 0.00 1.28 0.44 -0.54 0.00 0.00 174.62 175.68 2k0f h ASP 114 N -1.94 0.19 0.22 3.99 5.19 -2.00 0.12 116.42 122.19 2k0f h ASP 114 Ca -0.44 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 2k0f h ASP 114 Cb 1.22 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.64 2k0f h ASP 114 CO 0.31 1.08 -0.42 -0.08 -3.12 0.00 0.00 179.24 177.01 2k0f h GLU 115 N 0.05 -0.67 -0.75 3.56 4.81 -2.00 -1.95 114.58 117.63 2k0f h GLU 115 Ca -0.05 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 115 Cb 1.72 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 31.16 2k0f h GLU 115 CO 0.15 -0.45 0.33 0.93 -0.73 0.00 0.00 179.01 179.25 2k0f h GLU 116 N -0.69 0.50 0.00 1.92 5.08 -1.92 -0.97 114.58 118.49 2k0f h GLU 116 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 116 Cb 0.65 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 116 CO -0.16 0.33 -0.17 -0.24 -1.00 0.00 0.00 179.01 177.77 2k0f h VAL 117 N 0.51 0.86 0.22 3.13 3.04 -0.75 -1.07 116.25 122.19 2k0f h VAL 117 Ca 0.40 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 2k0f h VAL 117 Cb 0.56 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2k0f h VAL 117 CO -0.36 0.16 -0.10 -0.78 -1.01 0.00 0.00 177.57 175.48 2k0f h ASP 118 N 0.00 -0.25 -0.76 3.17 3.58 -0.36 -1.57 116.42 120.23 2k0f h ASP 118 Ca -0.00 -0.28 0.16 0.00 0.42 0.00 0.00 57.03 57.33 2k0f h ASP 118 Cb 0.35 0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.36 2k0f h ASP 118 CO 0.02 0.25 0.26 -0.08 -2.88 0.00 0.00 179.24 176.81 2k0f h GLU 119 N -0.85 0.35 -0.04 0.28 4.81 -1.43 0.22 114.58 117.92 2k0f h GLU 119 Ca -0.03 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 119 Cb 0.51 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 119 CO 0.05 0.23 -0.29 1.98 -0.73 0.00 0.00 179.01 180.26 2k0f h MET 120 N 0.36 -0.39 -0.15 1.92 4.05 -1.26 -2.56 114.93 116.91 2k0f h MET 120 Ca 0.43 0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.75 2k0f h MET 120 Cb 0.71 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2k0f h MET 120 CO -0.46 -0.26 -0.45 0.82 0.23 0.00 0.00 176.91 176.79 2k0f h ILE 121 N -0.41 1.32 -0.60 1.77 2.04 -0.44 -3.01 117.51 118.18 2k0f h ILE 121 Ca 0.07 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2k0f h ILE 121 Cb 0.52 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2k0f h ILE 121 CO -0.27 0.50 0.38 -0.09 0.00 0.00 0.00 178.15 178.66 2k0f h ARG 122 N 0.29 0.80 0.09 2.37 2.43 -0.59 -0.95 114.38 118.82 2k0f h ARG 122 Ca 0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 122 Cb 0.91 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2k0f h ARG 122 CO 0.08 0.55 -0.05 1.49 -1.51 0.00 0.00 179.97 180.53 2k0f h GLU 123 N 0.82 -0.12 -0.05 0.20 4.81 -1.32 -3.33 114.58 115.59 2k0f h GLU 123 Ca 0.22 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 123 Cb -0.07 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 123 CO -0.04 0.03 -0.52 0.00 -0.73 0.00 0.00 179.01 177.74 2k0f h ALA 124 N 0.64 0.13 -2.24 2.92 0.00 -1.46 -3.45 119.26 115.80 2k0f h ALA 124 Ca -0.01 -0.53 -0.56 0.00 0.00 0.00 0.00 54.91 53.81 2k0f h ALA 124 Cb 0.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 124 CO 0.02 0.33 0.84 0.34 0.00 0.00 0.00 179.25 180.78 2k0f s ASP 125 N -6.66 6.95 -0.23 0.00 2.15 -0.37 -4.81 116.67 113.69 2k0f s ASP 125 Ca -0.13 1.82 -0.16 0.00 0.43 0.00 0.00 52.55 54.51 2k0f s ASP 125 Cb 0.04 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 125 CO 0.82 -0.71 -0.25 -0.38 -0.17 0.00 0.00 175.17 174.48 2k0f n ILE 126 N 5.03 1.51 0.31 4.11 5.41 -1.26 -4.54 119.36 129.93 2k0f n ILE 126 Ca 0.13 -0.15 0.15 0.00 1.00 0.00 0.00 62.75 63.88 2k0f n ILE 126 Cb 0.45 -2.06 0.50 0.00 -0.71 0.00 0.00 39.64 37.81 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 0.00 0.00 4.38 3.04 -1.94 -3.48 116.42 117.42 2k0f h ASP 127 Ca -0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 2k0f h ASP 127 Cb 1.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 2k0f h ASP 127 CO -0.25 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.56 2k0f n GLY 128 N 0.42 0.91 0.16 7.15 0.00 -1.26 -5.02 105.19 107.55 2k0f n GLY 128 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.93 -3.47 116.42 114.67 2k0f h ASP 129 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 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 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 2k0f n GLY 130 N 1.18 0.77 2.95 7.15 0.00 -1.26 -5.06 105.19 110.92 2k0f n GLY 130 Ca 0.03 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -1.93 1.62 -0.32 1.61 -1.52 -1.26 -4.78 119.66 113.07 2k0f s GLN 131 Ca 0.00 -1.15 -0.29 0.00 -1.95 0.00 0.00 55.36 51.97 2k0f s GLN 131 Cb 0.00 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.13 2k0f s GLN 131 CO 0.00 -0.67 1.30 0.08 -0.25 0.00 0.00 175.29 175.75 2k0f s VAL 132 N 1.31 4.12 0.92 1.09 1.01 -1.13 -4.78 120.40 122.95 2k0f s VAL 132 Ca -0.03 1.25 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 2k0f s VAL 132 Cb -0.19 -4.19 0.20 0.00 0.00 0.00 0.00 36.38 32.20 2k0f s VAL 132 CO -0.08 -0.54 1.25 0.54 0.00 0.00 0.00 175.10 176.28 2k0f s ASN 133 N 2.89 3.23 0.03 3.32 2.20 -1.26 0.04 114.94 125.39 2k0f s ASN 133 Ca 0.56 -0.06 -0.15 0.00 -0.94 0.00 0.00 52.86 52.27 2k0f s ASN 133 Cb -0.16 0.02 -0.35 0.00 -2.00 0.00 0.00 41.25 38.76 2k0f s ASN 133 CO 0.24 -2.63 1.02 0.22 -2.94 0.00 0.00 177.10 173.01 2k0f h TYR 134 N -1.41 0.98 -0.91 1.54 3.20 -1.96 -2.23 116.97 116.17 2k0f h TYR 134 Ca -0.41 -0.70 0.09 0.00 3.14 0.00 0.00 58.73 60.85 2k0f h TYR 134 Cb 1.23 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 2k0f h TYR 134 CO -1.12 1.55 0.59 1.49 -1.64 0.00 0.00 178.16 179.03 2k0f h GLU 135 N 0.16 0.92 -0.30 1.82 4.81 -1.96 0.70 114.58 120.73 2k0f h GLU 135 Ca -0.25 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 135 Cb 2.15 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 2k0f h GLU 135 CO 0.27 0.61 0.01 0.93 -0.73 0.00 0.00 179.01 180.10 2k0f h GLU 136 N 0.95 0.52 -0.58 1.92 5.08 -1.93 -2.49 114.58 118.05 2k0f h GLU 136 Ca 0.42 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 136 Cb 0.35 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 136 CO -0.18 0.66 0.02 0.35 -1.00 0.00 0.00 179.01 178.86 2k0f h PHE 137 N 0.32 1.08 -0.15 4.33 3.57 -0.65 -0.28 116.94 125.15 2k0f h PHE 137 Ca 0.09 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 137 Cb 0.42 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2k0f h PHE 137 CO 0.03 0.95 0.00 0.28 -2.23 0.00 0.00 178.31 177.35 2k0f h VAL 138 N 0.92 1.25 -0.14 1.41 2.07 -0.85 -0.45 116.25 120.46 2k0f h VAL 138 Ca 0.17 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 2k0f h VAL 138 Cb 0.51 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2k0f h VAL 138 CO 0.02 0.24 -0.40 -0.61 0.02 0.00 0.00 177.57 176.84 2k0f h GLN 139 N 0.02 0.32 -0.26 1.57 4.15 -1.31 -2.89 115.11 116.71 2k0f h GLN 139 Ca 0.04 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.34 2k0f h GLN 139 Cb 0.36 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 2k0f h GLN 139 CO 0.01 0.67 0.11 1.98 -1.93 0.00 0.00 178.83 179.66 2k0f h MET 140 N 0.27 0.23 0.00 1.69 4.05 -0.98 -3.36 114.93 116.82 2k0f h MET 140 Ca 0.02 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 2k0f h MET 140 Cb 0.83 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 2k0f h MET 140 CO 0.07 0.15 -0.59 1.98 0.23 0.00 0.00 176.91 178.74 2k0f h MET 141 N 0.23 0.00 0.00 0.39 1.85 -0.86 -3.51 114.93 113.04 2k0f h MET 141 Ca 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 2k0f h MET 141 Cb 0.06 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.09 2k0f h MET 141 CO -0.10 0.59 0.00 0.25 -0.40 0.00 0.00 176.91 177.25