#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 -0.77 -1.72 1.09 5.08 -2.06 -3.46 114.58 112.74 2k0f h GLU 2 Ca 0.00 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 2 Cb 0.00 0.17 -0.23 0.00 0.50 0.00 0.00 28.75 29.19 2k0f h GLU 2 CO 0.00 -0.51 -0.28 -2.00 -1.00 0.00 0.00 179.01 175.22 2k0f s GLU 3 N -4.21 0.49 0.45 2.33 2.56 -1.26 -5.04 118.70 114.03 2k0f s GLU 3 Ca -0.12 1.08 0.15 0.00 0.00 0.00 0.00 54.97 56.08 2k0f s GLU 3 Cb 0.01 0.45 1.01 0.00 2.00 0.00 0.00 34.13 37.61 2k0f s GLU 3 CO 0.35 -0.43 1.99 0.37 -0.56 0.00 0.00 175.26 176.98 2k0f h GLN 4 N 8.06 0.00 -0.01 4.30 5.75 -1.99 -2.02 115.11 129.20 2k0f h GLN 4 Ca -0.20 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 2k0f h GLN 4 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.69 2k0f h GLN 4 CO 0.19 0.18 -0.25 0.82 -2.65 0.00 0.00 178.83 177.12 2k0f h ILE 5 N 0.00 1.53 -0.44 2.39 1.08 -1.99 -2.68 117.51 117.39 2k0f h ILE 5 Ca -0.00 -1.90 0.04 0.00 -0.39 0.00 0.00 64.86 62.62 2k0f h ILE 5 Cb 0.33 2.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.75 2k0f h ILE 5 CO 0.02 0.52 0.30 0.00 -0.69 0.00 0.00 178.15 178.30 2k0f h ALA 6 N 0.29 1.87 0.39 1.87 0.00 -1.94 -0.41 119.26 121.32 2k0f h ALA 6 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 6 Cb 0.99 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k0f h ALA 6 CO 0.05 0.06 -0.19 1.49 0.00 0.00 0.00 179.25 180.67 2k0f h GLU 7 N 0.43 -0.50 -0.76 0.00 4.81 -1.39 0.64 114.58 117.82 2k0f h GLU 7 Ca 0.19 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 2k0f h GLU 7 Cb 0.20 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 2k0f h GLU 7 CO -0.05 -0.23 0.37 0.74 -0.73 0.00 0.00 179.01 179.11 2k0f h PHE 8 N -0.70 0.65 -0.36 0.92 0.04 -1.27 -2.37 116.94 113.85 2k0f h PHE 8 Ca -0.05 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb 0.50 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2k0f h PHE 8 CO -0.01 0.19 0.18 -0.22 -0.60 0.00 0.00 178.31 177.86 2k0f h LYS 9 N 0.58 0.36 -0.64 1.51 3.64 -0.77 -1.45 116.57 119.80 2k0f h LYS 9 Ca 0.39 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 2k0f h LYS 9 Cb 0.48 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2k0f h LYS 9 CO -0.32 0.24 0.39 0.93 -2.27 0.00 0.00 179.45 178.42 2k0f h GLU 10 N 0.38 0.73 -0.09 1.90 4.39 0.57 -2.75 114.58 119.70 2k0f h GLU 10 Ca 0.15 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 10 Cb 0.05 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2k0f h GLU 10 CO -0.10 0.48 -0.60 0.00 -1.16 0.00 0.00 179.01 177.64 2k0f h ALA 11 N 1.29 0.19 -0.15 3.43 0.00 -1.34 -2.98 119.26 119.71 2k0f h ALA 11 Ca 0.27 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 11 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k0f h ALA 11 CO -0.12 0.44 0.15 0.35 0.00 0.00 0.00 179.25 180.07 2k0f h PHE 12 N 0.17 0.00 0.10 0.00 3.57 -1.38 -3.14 116.94 116.26 2k0f h PHE 12 Ca -0.05 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 12 Cb 1.25 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2k0f h PHE 12 CO 0.11 0.00 -1.43 0.77 -2.23 0.00 0.00 178.31 175.53 2k0f h SER 13 N 0.00 0.35 0.39 0.41 0.02 -1.48 -3.23 113.55 110.01 2k0f h SER 13 Ca 0.07 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2k0f h SER 13 Cb 0.37 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2k0f h SER 13 CO -0.00 1.37 0.00 0.00 -1.14 0.00 0.00 176.83 177.06 2k0f n LEU 14 N -3.44 0.00 -0.01 5.07 -0.00 -1.13 -3.17 117.00 114.32 2k0f n LEU 14 Ca -0.13 0.43 -0.04 0.00 -0.00 0.00 0.00 56.01 56.27 2k0f n LEU 14 Cb 1.03 -0.43 -0.12 0.00 -0.00 0.00 0.00 43.42 43.89 2k0f n LEU 14 CO 0.51 -0.24 -0.56 0.49 -0.00 0.00 0.00 177.39 177.59 2k0f n PHE 15 N -1.43 0.76 -2.36 1.47 3.72 -1.22 -4.87 117.46 113.53 2k0f n PHE 15 Ca 0.04 0.26 -0.40 0.00 -0.05 0.00 0.00 57.45 57.31 2k0f n PHE 15 Cb 0.14 -1.08 -0.03 0.00 -0.94 0.00 0.00 39.48 37.57 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -5.77 7.04 0.14 4.37 2.15 -1.19 -4.86 116.67 118.55 2k0f s ASP 16 Ca -0.05 2.38 0.21 0.00 0.43 0.00 0.00 52.55 55.52 2k0f s ASP 16 Cb 0.08 -2.63 -0.06 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 16 CO 0.82 -0.31 0.93 0.29 -0.17 0.00 0.00 175.17 176.73 2k0f n LYS 17 N 0.93 0.61 0.00 4.34 4.76 -1.26 -4.61 118.16 122.93 2k0f n LYS 17 Ca -0.00 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2k0f n LYS 17 Cb 0.44 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -2.73 0.00 0.00 4.39 8.00 -1.26 -5.06 116.55 119.89 2k0f n ASP 18 Ca -0.04 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2k0f n ASP 18 Cb 0.65 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 2.17 0.07 0.00 0.44 0.00 -1.26 -5.16 105.19 101.46 2k0f n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.38 1.61 5.75 -1.26 -5.09 116.55 116.18 2k0f n ASP 20 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 2k0f n ASP 20 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 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 4.50 0.72 2.78 6.12 0.00 -1.26 -4.98 105.19 113.07 2k0f n GLY 21 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.03 -0.15 -0.25 2.61 -4.23 -1.26 -4.12 115.64 108.26 2k0f s THR 22 Ca 0.02 0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 2k0f s THR 22 Cb 0.11 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.69 2k0f s THR 22 CO -0.03 0.14 0.26 -0.63 -0.54 0.00 0.00 174.62 173.82 2k0f s ILE 23 N 1.95 5.27 0.62 2.99 1.01 -1.06 -4.99 121.20 127.01 2k0f s ILE 23 Ca 0.01 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2k0f s ILE 23 Cb -0.12 -3.59 0.08 0.00 0.01 0.00 0.00 42.46 38.84 2k0f s ILE 23 CO -0.04 0.25 0.86 0.42 0.00 0.00 0.00 174.94 176.43 2k0f s THR 24 N 1.57 2.35 0.15 2.92 -4.23 -1.26 -2.20 115.64 114.94 2k0f s THR 24 Ca 0.11 -0.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.77 2k0f s THR 24 Cb -0.15 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.08 2k0f s THR 24 CO 0.08 0.00 1.58 0.71 -0.54 0.00 0.00 174.62 176.46 2k0f h THR 25 N -0.13 1.27 -0.65 3.99 1.35 -1.99 -0.89 112.91 115.85 2k0f h THR 25 Ca -0.37 -1.17 0.12 0.00 -0.55 0.00 0.00 66.41 64.44 2k0f h THR 25 Cb 1.28 1.03 -0.12 0.00 -1.73 0.00 0.00 68.15 68.61 2k0f h THR 25 CO 0.44 0.41 -0.31 0.11 -0.25 0.00 0.00 175.52 175.92 2k0f h LYS 26 N 0.76 -0.11 -0.19 4.72 1.79 -1.95 -0.58 116.57 121.01 2k0f h LYS 26 Ca 0.13 0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.46 2k0f h LYS 26 Cb 0.60 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2k0f h LYS 26 CO 0.04 -0.07 -0.51 0.93 -1.08 0.00 0.00 179.45 178.75 2k0f h GLU 27 N -0.11 0.54 0.76 3.15 5.08 -1.59 -2.53 114.58 119.88 2k0f h GLU 27 Ca 0.27 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 27 Cb 0.55 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2k0f h GLU 27 CO -0.72 0.92 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.78 2k0f h LEU 28 N 0.42 -0.86 -0.88 1.33 3.38 -1.13 -2.49 115.31 115.08 2k0f h LEU 28 Ca 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 28 Cb 1.04 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2k0f h LEU 28 CO 0.10 -0.50 0.23 1.23 0.09 0.00 0.00 178.44 179.58 2k0f h GLY 29 N -1.25 1.13 0.34 0.83 0.00 -0.97 0.32 103.07 103.46 2k0f h GLY 29 Ca -0.10 -0.64 0.10 0.00 0.00 0.00 0.00 47.33 46.68 2k0f h GLY 29 CO 0.17 0.60 0.18 -0.84 0.00 0.00 0.00 176.54 176.65 2k0f h THR 30 N 1.01 0.73 -0.18 4.70 2.02 -1.56 0.03 112.91 119.67 2k0f h THR 30 Ca 0.23 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 2k0f h THR 30 Cb 0.27 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2k0f h THR 30 CO -0.01 0.06 -0.50 0.58 0.37 0.00 0.00 175.52 176.02 2k0f h VAL 31 N 0.33 1.32 -0.63 3.16 2.07 -0.72 -2.12 116.25 119.67 2k0f h VAL 31 Ca 0.29 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 66.11 2k0f h VAL 31 Cb 0.39 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2k0f h VAL 31 CO -0.33 0.54 0.38 0.24 0.02 0.00 0.00 177.57 178.42 2k0f h MET 32 N 0.39 0.73 0.00 1.57 2.86 -0.68 -2.64 114.93 117.15 2k0f h MET 32 Ca 0.02 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 32 Cb 1.02 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 2k0f h MET 32 CO 0.09 0.48 -0.09 -0.09 1.06 0.00 0.00 176.91 178.37 2k0f h ARG 33 N 0.75 0.00 0.16 1.72 1.12 -0.88 -2.18 114.38 115.07 2k0f h ARG 33 Ca 0.26 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.87 2k0f h ARG 33 Cb 0.05 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 30.04 2k0f h ARG 33 CO -0.12 0.09 -1.11 0.77 -3.11 0.00 0.00 179.97 176.49 2k0f h SER 34 N 0.00 0.70 -0.00 -3.80 0.02 -1.24 -3.36 113.55 105.87 2k0f h SER 34 Ca -0.00 -0.89 -0.04 0.00 -0.84 0.00 0.00 61.79 60.02 2k0f h SER 34 Cb 0.86 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2k0f h SER 34 CO 0.01 1.53 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.99 2k0f h LEU 35 N -0.02 0.15 0.00 5.07 3.38 -1.28 -3.44 115.31 119.17 2k0f h LEU 35 Ca -0.18 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2k0f h LEU 35 Cb 1.84 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2k0f h LEU 35 CO 0.21 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2k0f n GLY 36 N 1.04 -0.38 3.87 0.83 0.00 -0.84 -4.92 105.19 104.79 2k0f n GLY 36 Ca -0.10 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 1.02 3.83 -0.23 1.61 -0.21 -1.24 -4.61 119.66 119.83 2k0f s GLN 37 Ca 0.00 0.60 -0.07 0.00 0.02 0.00 0.00 55.36 55.91 2k0f s GLN 37 Cb 0.00 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 2k0f s GLN 37 CO 0.00 -0.09 0.06 1.21 -2.12 0.00 0.00 175.29 174.36 2k0f s ASN 38 N -3.10 5.19 0.47 5.90 3.84 -1.26 -3.78 114.94 122.20 2k0f s ASN 38 Ca 0.53 -0.16 -0.00 0.00 0.21 0.00 0.00 52.86 53.44 2k0f s ASN 38 Cb -0.10 -1.92 -0.00 0.00 -0.55 0.00 0.00 41.25 38.67 2k0f s ASN 38 CO 0.31 0.01 0.70 -2.16 -2.79 0.00 0.00 177.10 173.16 2k0f s PRO 39 N 1.37 3.05 0.69 0.43 0.04 -1.26 -5.03 135.00 134.29 2k0f s PRO 39 Ca 0.05 -0.43 -0.05 0.00 0.04 0.00 0.00 61.00 60.61 2k0f s PRO 39 Cb -0.15 -2.53 0.07 0.00 0.04 0.00 0.00 34.50 31.94 2k0f s PRO 39 CO 0.03 -0.32 0.98 0.95 0.04 0.00 0.00 177.00 178.69 2k0f s THR 40 N -2.60 2.32 -0.04 1.26 -4.23 -1.26 -5.00 115.64 106.08 2k0f s THR 40 Ca 0.49 -0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 2k0f s THR 40 Cb -0.10 -2.95 -0.22 0.00 1.34 0.00 0.00 72.50 70.57 2k0f s THR 40 CO 0.39 0.00 1.11 -0.33 -0.54 0.00 0.00 174.62 175.24 2k0f h GLU 41 N -0.52 0.12 -0.87 3.99 5.08 -1.99 -2.87 114.58 117.51 2k0f h GLU 41 Ca -0.43 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 41 Cb 1.30 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 2k0f h GLU 41 CO 0.55 0.77 0.57 0.00 -1.00 0.00 0.00 179.01 179.90 2k0f h ALA 42 N 0.35 1.60 -0.31 3.43 0.00 -1.98 0.96 119.26 123.31 2k0f h ALA 42 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 42 Cb 0.80 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 42 CO 0.02 0.24 0.13 0.93 0.00 0.00 0.00 179.25 180.57 2k0f h GLU 43 N 0.92 0.27 -0.02 0.00 5.08 -1.97 -3.08 114.58 115.78 2k0f h GLU 43 Ca 0.39 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 43 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 43 CO -0.16 0.18 -0.44 1.25 -1.00 0.00 0.00 179.01 178.84 2k0f h LEU 44 N 0.28 0.04 -1.31 1.33 5.85 -1.04 -2.16 115.31 118.29 2k0f h LEU 44 Ca 0.14 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 44 Cb 0.09 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2k0f h LEU 44 CO -0.12 0.48 -0.28 1.56 -0.34 0.00 0.00 178.44 179.73 2k0f h GLN 45 N 0.04 0.00 0.13 1.25 4.20 -0.84 -1.90 115.11 117.99 2k0f h GLN 45 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2k0f h GLN 45 Cb 0.79 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.59 2k0f h GLN 45 CO 0.06 0.28 -1.25 0.22 -0.67 0.00 0.00 178.83 177.48 2k0f h ASP 46 N 0.00 0.71 0.17 1.46 3.58 -1.31 -1.12 116.42 119.90 2k0f h ASP 46 Ca -0.00 -0.68 -0.01 0.00 0.42 0.00 0.00 57.03 56.76 2k0f h ASP 46 Cb 0.66 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2k0f h ASP 46 CO 0.04 1.51 -0.08 0.24 -2.88 0.00 0.00 179.24 178.06 2k0f h MET 47 N 0.19 -0.22 -1.00 0.28 2.86 -1.36 -2.96 114.93 112.73 2k0f h MET 47 Ca -0.17 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 47 Cb 1.93 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 33.57 2k0f h MET 47 CO 0.23 0.11 0.64 0.82 1.06 0.00 0.00 176.91 179.77 2k0f h ILE 48 N -0.56 1.03 0.00 -1.22 1.08 -1.43 -2.50 117.51 113.91 2k0f h ILE 48 Ca -0.02 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2k0f h ILE 48 Cb 0.43 -0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 33.99 2k0f h ILE 48 CO 0.04 0.20 -0.09 0.78 -0.69 0.00 0.00 178.15 178.40 2k0f h ASN 49 N 1.12 0.00 -0.02 1.72 2.35 -1.03 -0.55 115.58 119.17 2k0f h ASN 49 Ca 0.45 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 56.00 2k0f h ASN 49 Cb 0.27 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.66 2k0f h ASN 49 CO -0.20 0.09 -0.79 -0.33 -1.65 0.00 0.00 177.43 174.54 2k0f h GLU 50 N 0.00 0.57 0.00 0.81 5.08 -1.34 -3.40 114.58 116.30 2k0f h GLU 50 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2k0f h GLU 50 Cb 0.30 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 50 CO 0.01 1.21 -1.05 1.33 -1.00 0.00 0.00 179.01 179.50 2k0f n VAL 51 N -4.05 0.03 -2.72 3.13 0.24 -0.88 -4.87 118.33 109.21 2k0f n VAL 51 Ca -0.10 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 2k0f n VAL 51 Cb 0.76 0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 33.74 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 -3.32 7.55 -0.06 -1.34 2.15 -0.27 -4.74 116.67 116.64 2k0f s ASP 52 Ca 0.06 1.90 -0.12 0.00 0.43 0.00 0.00 52.55 54.82 2k0f s ASP 52 Cb 0.16 -2.60 -0.30 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 52 CO 0.84 0.03 0.64 0.00 -0.17 0.00 0.00 175.17 176.51 2k0f h ALA 53 N 4.82 0.16 0.02 3.66 0.00 -1.89 -3.43 119.26 122.61 2k0f h ALA 53 Ca -0.44 -1.14 -0.00 0.00 0.00 0.00 0.00 54.91 53.33 2k0f h ALA 53 Cb 1.21 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2k0f h ALA 53 CO 0.70 1.00 -0.01 -0.44 0.00 0.00 0.00 179.25 180.50 2k0f h ASP 54 N 0.06 -0.02 0.00 0.00 3.32 -1.94 -3.48 116.42 114.35 2k0f h ASP 54 Ca -0.34 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 55.99 2k0f h ASP 54 Cb 2.06 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.61 2k0f h ASP 54 CO 0.16 0.79 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 2k0f n GLY 55 N 1.36 1.07 0.12 2.75 0.00 -1.26 -4.98 105.19 104.25 2k0f n GLY 55 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 1.61 -1.07 -1.96 -3.48 115.58 110.68 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.56 0.00 0.61 0.07 0.00 0.00 177.43 178.67 2k0f n GLY 57 N 1.29 0.63 3.87 9.14 0.00 -1.26 -5.07 105.19 113.78 2k0f n GLY 57 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.25 4.98 -0.59 2.61 -4.23 -1.26 -4.27 115.64 110.64 2k0f s THR 58 Ca 0.00 0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 60.84 2k0f s THR 58 Cb 0.00 -3.66 0.09 0.00 1.34 0.00 0.00 72.50 70.27 2k0f s THR 58 CO 0.00 0.14 0.76 -0.51 -0.54 0.00 0.00 174.62 174.47 2k0f s ILE 59 N -1.57 4.71 1.14 2.99 2.07 -0.94 -4.73 121.20 124.88 2k0f s ILE 59 Ca 0.39 -0.75 -0.18 0.00 -1.41 0.00 0.00 60.65 58.71 2k0f s ILE 59 Cb -0.13 -4.51 0.26 0.00 0.13 0.00 0.00 42.46 38.21 2k0f s ILE 59 CO 0.20 -1.15 1.13 -1.81 -1.91 0.00 0.00 174.94 171.40 2k0f s ASP 60 N 3.48 1.43 0.02 4.50 1.11 -1.26 -2.55 116.67 123.40 2k0f s ASP 60 Ca 0.15 0.67 -0.25 0.00 0.18 0.00 0.00 52.55 53.30 2k0f s ASP 60 Cb -0.22 -0.96 -0.18 0.00 1.07 0.00 0.00 42.92 42.64 2k0f s ASP 60 CO 0.08 -3.81 1.36 0.15 1.18 0.00 0.00 175.17 174.13 2k0f h PHE 61 N -2.37 -0.19 0.00 4.23 3.57 -1.98 -0.67 116.94 119.54 2k0f h PHE 61 Ca -0.46 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.97 2k0f h PHE 61 Cb 1.29 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2k0f h PHE 61 CO -1.64 0.13 -0.28 -1.35 -2.23 0.00 0.00 178.31 172.94 2k0f h PRO 62 N -0.51 0.00 0.36 6.41 0.11 -1.95 -0.19 132.00 136.23 2k0f h PRO 62 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2k0f h PRO 62 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2k0f h PRO 62 CO 0.03 0.28 -0.17 0.93 -0.21 0.00 0.00 178.00 178.86 2k0f h GLU 63 N 0.00 -0.46 -0.98 1.05 5.08 -1.86 -2.25 114.58 115.15 2k0f h GLU 63 Ca -0.00 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 63 Cb 0.49 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 63 CO 0.04 -0.31 -0.43 0.35 -1.00 0.00 0.00 179.01 177.66 2k0f h PHE 64 N -0.50 -1.25 -0.80 4.33 3.04 -1.06 -0.02 116.94 120.69 2k0f h PHE 64 Ca -0.05 0.11 0.16 0.00 3.98 0.00 0.00 57.97 62.17 2k0f h PHE 64 Cb 0.37 0.69 -0.06 0.00 2.56 0.00 0.00 35.95 39.51 2k0f h PHE 64 CO 0.14 -0.40 0.53 1.25 -2.02 0.00 0.00 178.31 177.81 2k0f h LEU 65 N -0.01 0.43 -0.07 0.59 5.85 -1.14 0.15 115.31 121.11 2k0f h LEU 65 Ca 0.31 0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.81 2k0f h LEU 65 Cb 0.56 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.55 2k0f h LEU 65 CO -0.97 0.21 -0.94 0.74 -0.34 0.00 0.00 178.44 177.15 2k0f h THR 66 N 0.45 1.28 -0.30 1.05 2.02 -0.40 0.10 112.91 117.12 2k0f h THR 66 Ca 0.40 -2.14 -0.02 0.00 0.77 0.00 0.00 66.41 65.42 2k0f h THR 66 Cb 0.89 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2k0f h THR 66 CO -0.14 0.67 0.11 -0.03 0.37 0.00 0.00 175.52 176.50 2k0f h MET 67 N 0.45 0.45 0.00 6.66 1.85 -0.80 -2.33 114.93 121.21 2k0f h MET 67 Ca -0.10 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2k0f h MET 67 Cb 1.58 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.54 2k0f h MET 67 CO 0.19 0.48 0.00 -1.33 -0.40 0.00 0.00 176.91 175.84 2k0f n MET 68 N -4.73 0.24 0.07 0.39 2.00 0.47 -2.97 117.12 112.59 2k0f n MET 68 Ca -0.02 0.07 0.12 0.00 0.00 0.00 0.00 57.70 57.86 2k0f n MET 68 Cb 0.14 -1.50 0.13 0.00 0.00 0.00 0.00 33.22 31.99 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N 3.06 0.57 -2.29 3.04 0.00 -0.42 -3.45 119.26 119.75 2k0f h ALA 69 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 69 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 69 CO 0.00 0.00 1.25 1.03 0.00 0.00 0.00 179.25 181.53 2k0f s ARG 70 N -3.21 4.01 0.26 0.00 0.52 -0.91 -4.95 118.95 114.67 2k0f s ARG 70 Ca 0.05 2.48 -0.30 0.00 -0.52 0.00 0.00 55.73 57.44 2k0f s ARG 70 Cb 0.12 -4.17 -0.10 0.00 0.52 0.00 0.00 34.95 31.32 2k0f s ARG 70 CO 0.74 -1.10 1.44 0.21 0.02 0.00 0.00 175.30 176.60 2k0f s LYS 71 N 4.68 4.26 0.06 3.54 2.47 -1.26 -5.04 119.74 128.45 2k0f s LYS 71 Ca 0.88 2.32 0.06 0.00 -1.56 0.00 0.00 55.97 57.67 2k0f s LYS 71 Cb -0.40 -3.10 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 2k0f s LYS 71 CO 0.39 -0.42 -0.15 0.00 0.16 0.00 0.00 175.35 175.33 2k0f s MET 72 N -0.58 0.92 0.63 4.03 0.23 -1.26 -5.15 119.30 118.12 2k0f s MET 72 Ca 0.58 -0.92 -0.08 0.00 -1.03 0.00 0.00 55.69 54.24 2k0f s MET 72 Cb -0.42 -0.98 0.01 0.00 -1.53 0.00 0.00 34.83 31.91 2k0f s MET 72 CO 0.45 0.23 0.97 0.15 -2.03 0.00 0.00 175.02 174.79 2k0f s LYS 73 N -1.54 2.96 0.45 3.16 1.02 -1.26 -4.94 119.74 119.59 2k0f s LYS 73 Ca 0.01 0.20 0.16 0.00 0.02 0.00 0.00 55.97 56.37 2k0f s LYS 73 Cb -0.09 -2.18 1.04 0.00 -0.52 0.00 0.00 37.83 36.07 2k0f s LYS 73 CO 0.02 -0.78 1.98 -0.44 -0.92 0.00 0.00 175.35 175.21 2k0f h ASP 74 N -0.33 0.00 0.58 2.83 3.32 -2.01 -2.61 116.42 118.21 2k0f h ASP 74 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 2k0f h ASP 74 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2k0f h ASP 74 CO 0.62 0.20 -0.56 0.71 -1.72 0.00 0.00 179.24 178.49 2k0f h THR 75 N 0.00 1.39 0.00 0.35 1.35 -2.01 -1.81 112.91 112.18 2k0f h THR 75 Ca -0.00 -1.94 -0.04 0.00 -0.55 0.00 0.00 66.41 63.88 2k0f h THR 75 Cb 0.37 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2k0f h THR 75 CO 0.03 0.55 -0.18 0.44 -0.25 0.00 0.00 175.52 176.11 2k0f h ASP 76 N 0.00 0.00 1.02 5.36 3.32 -1.84 -2.61 116.42 121.67 2k0f h ASP 76 Ca -0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2k0f h ASP 76 Cb 1.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2k0f h ASP 76 CO 0.07 0.18 -0.66 -1.28 -1.72 0.00 0.00 179.24 175.84 2k0f h SER 77 N 0.00 0.00 -0.15 6.45 0.87 -1.08 -1.60 113.55 118.04 2k0f h SER 77 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2k0f h SER 77 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2k0f h SER 77 CO 0.02 0.66 0.00 -0.33 -0.53 0.00 0.00 176.83 176.66 2k0f h GLU 78 N 0.00 0.27 -0.78 2.24 4.39 -1.40 -1.18 114.58 118.12 2k0f h GLU 78 Ca -0.01 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 78 Cb 1.35 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 2k0f h GLU 78 CO 0.09 0.49 0.49 0.93 -1.16 0.00 0.00 179.01 179.84 2k0f h GLU 79 N 0.02 0.93 -0.06 2.33 5.08 -1.47 -3.02 114.58 118.38 2k0f h GLU 79 Ca 0.04 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 79 Cb 0.36 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 79 CO 0.01 0.61 -0.85 1.49 -1.00 0.00 0.00 179.01 179.27 2k0f h GLU 80 N 0.96 0.54 -0.31 2.33 4.81 -1.17 -0.19 114.58 121.53 2k0f h GLU 80 Ca 0.31 -0.50 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 80 Cb 0.02 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2k0f h GLU 80 CO -0.11 1.13 0.04 0.97 -0.73 0.00 0.00 179.01 180.30 2k0f h ILE 81 N 0.34 1.17 0.11 2.32 2.10 -1.29 0.11 117.51 122.36 2k0f h ILE 81 Ca -0.06 -0.62 0.02 0.00 1.08 0.00 0.00 64.86 65.27 2k0f h ILE 81 Cb 1.46 0.89 -0.04 0.00 -1.09 0.00 0.00 36.82 38.04 2k0f h ILE 81 CO 0.16 0.22 -0.34 -0.09 -1.08 0.00 0.00 178.15 177.01 2k0f h ARG 82 N 0.45 -0.54 -0.62 2.19 2.43 -1.38 -2.30 114.38 114.61 2k0f h ARG 82 Ca 0.10 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2k0f h ARG 82 Cb 0.24 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2k0f h ARG 82 CO 0.00 -0.36 0.41 1.49 -1.51 0.00 0.00 179.97 180.00 2k0f h GLU 83 N -0.56 0.82 0.00 0.20 4.57 -0.67 -1.38 114.58 117.56 2k0f h GLU 83 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 83 Cb 0.60 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2k0f h GLU 83 CO -0.21 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.16 2k0f h ALA 84 N 1.61 1.00 0.15 2.92 0.00 -0.75 -2.60 119.26 121.59 2k0f h ALA 84 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 84 Cb -0.09 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.73 2k0f h ALA 84 CO -0.05 0.00 -1.29 0.35 0.00 0.00 0.00 179.25 178.26 2k0f h PHE 85 N 0.00 0.98 0.00 0.00 3.57 -0.67 -3.29 116.94 117.52 2k0f h PHE 85 Ca 0.00 -0.64 0.00 0.00 3.53 0.00 0.00 57.97 60.86 2k0f h PHE 85 Cb 0.81 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2k0f h PHE 85 CO 0.00 1.48 0.03 0.00 -2.23 0.00 0.00 178.31 177.59 2k0f h ARG 86 N 0.24 0.00 0.18 1.11 3.08 -1.01 0.74 114.38 118.72 2k0f h ARG 86 Ca -0.20 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.55 2k0f h ARG 86 Cb 1.96 0.00 0.02 0.00 0.08 0.00 0.00 29.97 32.03 2k0f h ARG 86 CO 0.24 0.00 -1.40 0.28 -1.07 0.00 0.00 179.97 178.03 2k0f h VAL 87 N 0.00 1.35 0.01 2.04 2.07 -1.62 -3.37 116.25 116.72 2k0f h VAL 87 Ca 0.00 -2.87 -0.09 0.00 0.82 0.00 0.00 66.70 64.56 2k0f h VAL 87 Cb 0.07 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2k0f h VAL 87 CO 0.00 0.85 -0.48 -0.26 0.02 0.00 0.00 177.57 177.70 2k0f h PHE 88 N 0.10 0.04 -0.85 1.57 0.04 -1.33 -3.38 116.94 113.14 2k0f h PHE 88 Ca -0.21 -0.03 -0.57 0.00 2.80 0.00 0.00 57.97 59.96 2k0f h PHE 88 Cb 2.06 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 40.14 2k0f h PHE 88 CO 0.09 1.19 1.71 0.34 -0.60 0.00 0.00 178.31 181.04 2k0f s ASP 89 N -6.48 6.31 0.27 2.17 -1.08 0.13 -4.68 116.67 113.30 2k0f s ASP 89 Ca -0.22 -1.91 0.12 0.00 -0.52 0.00 0.00 52.55 50.02 2k0f s ASP 89 Cb 0.00 -2.58 0.31 0.00 -1.46 0.00 0.00 42.92 39.20 2k0f s ASP 89 CO 0.67 -1.70 1.57 0.50 0.52 0.00 0.00 175.17 176.73 2k0f h LYS 90 N 8.82 0.00 0.07 4.34 3.64 -1.75 -3.14 116.57 128.55 2k0f h LYS 90 Ca 0.32 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 2k0f h LYS 90 Cb 0.93 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2k0f h LYS 90 CO 1.39 0.62 -0.60 0.38 -2.27 0.00 0.00 179.45 178.98 2k0f h ASP 91 N 0.00 0.41 -0.03 4.20 2.03 -1.91 -3.49 116.42 117.63 2k0f h ASP 91 Ca -0.01 -0.88 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 2k0f h ASP 91 Cb 1.18 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2k0f h ASP 91 CO 0.08 1.25 0.00 0.61 -1.03 0.00 0.00 179.24 180.15 2k0f n GLY 92 N 1.40 1.63 0.18 7.15 0.00 -1.19 -5.02 105.19 109.34 2k0f n GLY 92 Ca -0.12 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 7.08 -1.95 -3.48 115.58 118.84 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2k0f h ASN 93 CO 0.00 0.08 0.00 0.61 -2.08 0.00 0.00 177.43 176.04 2k0f n GLY 94 N 1.15 0.99 3.07 9.14 0.00 -1.26 -5.11 105.19 113.17 2k0f n GLY 94 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.99 -0.03 1.61 1.51 -1.26 -3.77 117.35 114.40 2k0f s TYR 95 Ca 0.00 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2k0f s TYR 95 Cb 0.00 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 2k0f s TYR 95 CO 0.00 -0.01 -0.24 0.96 -1.11 0.00 0.00 175.55 175.16 2k0f s ILE 96 N -0.51 1.89 0.00 2.71 -4.36 -0.40 -4.85 121.20 115.68 2k0f s ILE 96 Ca 0.02 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 2k0f s ILE 96 Cb -0.06 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.07 2k0f s ILE 96 CO 0.00 0.53 0.00 -1.54 0.24 0.00 0.00 174.94 174.17 2k0f n SER 97 N 2.64 0.00 -0.19 4.36 3.41 -1.26 0.07 113.62 122.65 2k0f n SER 97 Ca -0.16 -0.26 -0.07 0.00 -0.26 0.00 0.00 58.87 58.12 2k0f n SER 97 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N -0.94 0.69 -0.16 7.33 0.00 -1.94 -2.80 119.26 121.44 2k0f h ALA 98 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 98 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k0f h ALA 98 CO 0.00 0.20 -0.76 0.00 0.00 0.00 0.00 179.25 178.68 2k0f h ALA 99 N 1.14 0.34 -0.76 0.00 0.00 -1.95 0.22 119.26 118.25 2k0f h ALA 99 Ca 0.19 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 99 Cb 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 99 CO -0.03 0.69 0.49 0.93 0.00 0.00 0.00 179.25 181.33 2k0f h GLU 100 N 0.54 0.95 -0.35 0.00 5.08 -1.89 -1.17 114.58 117.73 2k0f h GLU 100 Ca -0.05 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 100 Cb 1.39 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2k0f h GLU 100 CO 0.16 0.63 0.21 1.25 -1.00 0.00 0.00 179.01 180.25 2k0f h LEU 101 N 0.97 0.34 0.51 1.33 5.85 -1.39 -3.23 115.31 119.68 2k0f h LEU 101 Ca 0.30 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2k0f h LEU 101 Cb -0.03 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2k0f h LEU 101 CO -0.09 0.25 -0.24 -0.09 -0.34 0.00 0.00 178.44 177.92 2k0f h ARG 102 N 0.43 -0.66 -0.19 1.25 2.43 -0.65 -2.02 114.38 114.98 2k0f h ARG 102 Ca 0.14 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2k0f h ARG 102 Cb -0.00 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2k0f h ARG 102 CO -0.06 -0.35 -0.11 1.58 -1.51 0.00 0.00 179.97 179.52 2k0f n HIS 103 N -5.29 -0.08 -0.27 2.20 -0.00 -0.47 -0.47 115.22 110.84 2k0f n HIS 103 Ca -0.11 0.23 0.02 0.00 0.46 0.00 0.00 57.72 58.32 2k0f n HIS 103 Cb 0.32 -0.44 0.24 0.00 -0.12 0.00 0.00 29.99 29.98 2k0f n HIS 103 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2k0f h VAL 104 N 0.00 1.13 -0.12 3.57 2.07 -1.66 -2.12 116.25 119.12 2k0f h VAL 104 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2k0f h VAL 104 Cb 0.08 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2k0f h VAL 104 CO -0.17 0.19 0.02 -0.03 0.02 0.00 0.00 177.57 177.60 2k0f h MET 105 N 1.04 0.20 -0.95 1.57 -1.53 -0.86 -2.87 114.93 111.52 2k0f h MET 105 Ca 0.34 -0.05 0.10 0.00 -3.44 0.00 0.00 59.70 56.65 2k0f h MET 105 Cb 0.04 -0.02 -0.07 0.00 -0.55 0.00 0.00 31.60 30.99 2k0f h MET 105 CO -0.10 0.38 0.61 1.15 0.14 0.00 0.00 176.91 179.09 2k0f h THR 106 N -0.02 0.97 -0.12 -0.77 2.02 -0.50 -2.31 112.91 112.18 2k0f h THR 106 Ca 0.04 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 2k0f h THR 106 Cb 0.28 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2k0f h THR 106 CO 0.00 0.18 -0.59 0.78 0.37 0.00 0.00 175.52 176.26 2k0f h ASN 107 N 0.96 0.43 0.08 4.18 2.35 -1.33 -2.84 115.58 119.41 2k0f h ASN 107 Ca 0.45 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2k0f h ASN 107 Cb 0.41 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 2k0f h ASN 107 CO -0.21 0.92 -0.54 0.25 -1.65 0.00 0.00 177.43 176.21 2k0f h LEU 108 N 0.29 -1.63 0.00 1.61 5.85 -1.25 -3.45 115.31 116.73 2k0f h LEU 108 Ca -0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2k0f h LEU 108 Cb 1.11 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.75 2k0f h LEU 108 CO 0.10 -0.55 0.00 0.61 -0.34 0.00 0.00 178.44 178.26 2k0f n GLY 109 N -1.48 -0.56 3.69 3.75 0.00 -0.90 -5.00 105.19 104.69 2k0f n GLY 109 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 4.29 -0.73 1.61 0.41 -0.99 -4.98 118.70 118.32 2k0f s GLU 110 Ca 0.00 0.63 0.02 0.00 -0.41 0.00 0.00 54.97 55.21 2k0f s GLU 110 Cb 0.00 -3.52 0.35 0.00 -1.78 0.00 0.00 34.13 29.18 2k0f s GLU 110 CO 0.00 -0.08 1.36 1.63 -0.49 0.00 0.00 175.26 177.68 2k0f n LYS 111 N 4.45 3.91 -2.54 1.61 5.02 -1.26 -4.03 118.16 125.31 2k0f n LYS 111 Ca -0.03 -4.61 -0.25 0.00 -2.02 0.00 0.00 58.31 51.40 2k0f n LYS 111 Cb 0.51 -2.32 0.03 0.00 -0.02 0.00 0.00 35.03 33.23 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 -3.82 3.31 0.78 -0.35 1.43 -1.26 -5.09 118.68 113.69 2k0f s LEU 112 Ca 0.46 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 54.05 2k0f s LEU 112 Cb 0.29 -3.40 0.12 0.00 0.03 0.00 0.00 46.19 43.22 2k0f s LEU 112 CO -0.17 -1.01 1.10 0.42 0.23 0.00 0.00 176.35 176.92 2k0f s THR 113 N -2.89 2.16 0.26 5.49 -4.23 -1.26 -4.93 115.64 110.23 2k0f s THR 113 Ca 0.53 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 2k0f s THR 113 Cb -0.10 -2.89 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2k0f s THR 113 CO 0.43 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.73 2k0f h ASP 114 N -0.89 0.82 0.16 3.99 5.19 -1.98 -1.12 116.42 122.59 2k0f h ASP 114 Ca -0.42 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 55.81 2k0f h ASP 114 Cb 1.28 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2k0f h ASP 114 CO 0.49 0.83 -0.08 -0.33 -3.12 0.00 0.00 179.24 177.03 2k0f h GLU 115 N 0.82 -0.21 -0.37 3.56 3.07 -1.99 0.28 114.58 119.74 2k0f h GLU 115 Ca 0.17 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.12 2k0f h GLU 115 Cb 0.37 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 2k0f h GLU 115 CO 0.01 0.03 -0.02 0.93 -1.40 0.00 0.00 179.01 178.55 2k0f h GLU 116 N -0.42 0.07 -0.76 2.33 5.08 -1.94 -2.47 114.58 116.48 2k0f h GLU 116 Ca -0.02 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 116 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 116 CO 0.04 0.05 0.34 0.28 -1.00 0.00 0.00 179.01 178.72 2k0f h VAL 117 N 0.07 1.25 -0.60 3.13 2.07 -0.99 -0.48 116.25 120.70 2k0f h VAL 117 Ca 0.18 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 67.05 2k0f h VAL 117 Cb 0.26 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2k0f h VAL 117 CO -0.33 0.30 0.27 -0.78 0.02 0.00 0.00 177.57 177.05 2k0f h ASP 118 N 1.07 0.34 0.26 0.57 3.58 -0.93 -3.03 116.42 118.29 2k0f h ASP 118 Ca 0.26 0.05 -0.21 0.00 0.42 0.00 0.00 57.03 57.55 2k0f h ASP 118 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k0f h ASP 118 CO -0.03 0.22 -0.85 -0.08 -2.88 0.00 0.00 179.24 175.61 2k0f h GLU 119 N 0.50 0.44 -0.76 0.28 4.57 -1.01 -2.21 114.58 116.39 2k0f h GLU 119 Ca 0.28 -0.42 0.15 0.00 -1.18 0.00 0.00 59.36 58.20 2k0f h GLU 119 Cb 0.28 0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 28.83 2k0f h GLU 119 CO -0.24 1.07 -0.17 0.52 -1.18 0.00 0.00 179.01 179.01 2k0f h MET 120 N 0.27 0.01 -0.25 1.92 2.86 -1.16 0.29 114.93 118.87 2k0f h MET 120 Ca -0.06 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 120 Cb 1.47 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 2k0f h MET 120 CO 0.15 0.00 0.13 0.82 1.06 0.00 0.00 176.91 179.07 2k0f h ILE 121 N 0.01 1.13 -0.19 -1.22 1.08 -1.28 -2.62 117.51 114.42 2k0f h ILE 121 Ca 0.37 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 2k0f h ILE 121 Cb 0.57 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 2k0f h ILE 121 CO -0.77 0.13 -0.17 0.03 -0.69 0.00 0.00 178.15 176.68 2k0f h ARG 122 N 0.28 -0.18 -0.83 2.37 3.08 -0.98 -0.95 114.38 117.17 2k0f h ARG 122 Ca 0.09 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.39 2k0f h ARG 122 Cb 0.09 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2k0f h ARG 122 CO -0.01 -0.12 0.60 1.49 -1.07 0.00 0.00 179.97 180.86 2k0f h GLU 123 N -0.19 0.00 0.00 0.04 4.81 -0.09 -2.95 114.58 116.20 2k0f h GLU 123 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 123 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 123 CO -0.30 0.00 -0.50 0.00 -0.73 0.00 0.00 179.01 177.47 2k0f n ALA 124 N -2.69 0.44 -1.76 2.92 0.00 -1.04 -4.92 120.51 113.45 2k0f n ALA 124 Ca 0.17 -0.44 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 2k0f n ALA 124 Cb 0.90 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.38 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -5.41 6.00 0.00 0.00 2.15 -0.39 -4.74 116.67 114.29 2k0f s ASP 125 Ca -0.15 2.73 -0.05 0.00 0.43 0.00 0.00 52.55 55.51 2k0f s ASP 125 Cb 0.02 -2.64 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 125 CO 0.22 -1.07 -0.10 -0.38 -0.17 0.00 0.00 175.17 173.66 2k0f n ILE 126 N -0.20 1.16 0.12 4.11 2.08 -1.26 -4.86 119.36 120.51 2k0f n ILE 126 Ca 0.05 0.25 -0.13 0.00 0.56 0.00 0.00 62.75 63.48 2k0f n ILE 126 Cb 0.44 -1.77 -0.08 0.00 -0.75 0.00 0.00 39.64 37.47 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -0.29 -0.26 0.00 4.38 3.04 -1.95 -3.47 116.42 117.87 2k0f h ASP 127 Ca -0.04 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 2k0f h ASP 127 Cb 0.45 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2k0f h ASP 127 CO -0.02 0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 2k0f n GLY 128 N -0.40 -0.74 0.08 7.15 0.00 -1.26 -5.04 105.19 104.98 2k0f n GLY 128 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 -3.48 116.42 114.58 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 0.87 0.00 0.61 -1.03 0.00 0.00 179.24 179.69 2k0f n GLY 130 N 1.18 1.02 3.64 7.15 0.00 -1.26 -5.03 105.19 111.90 2k0f n GLY 130 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.96 4.16 -0.35 1.61 -0.21 -1.26 -4.20 119.66 118.45 2k0f s GLN 131 Ca 0.00 0.55 -0.24 0.00 0.02 0.00 0.00 55.36 55.70 2k0f s GLN 131 Cb 0.00 -3.61 0.01 0.00 1.00 0.00 0.00 33.01 30.41 2k0f s GLN 131 CO 0.00 -0.31 0.80 0.08 -2.12 0.00 0.00 175.29 173.74 2k0f s VAL 132 N 2.16 4.73 0.87 1.09 1.01 0.11 -4.87 120.40 125.50 2k0f s VAL 132 Ca 0.27 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 63.17 2k0f s VAL 132 Cb -0.16 -4.21 0.18 0.00 0.00 0.00 0.00 36.38 32.20 2k0f s VAL 132 CO 0.09 -0.39 1.20 0.54 0.00 0.00 0.00 175.10 176.54 2k0f s ASN 133 N 1.78 3.53 0.15 3.32 2.20 -1.26 -1.27 114.94 123.38 2k0f s ASN 133 Ca 0.33 -0.04 -0.03 0.00 -0.94 0.00 0.00 52.86 52.18 2k0f s ASN 133 Cb -0.13 -0.10 -0.02 0.00 -2.00 0.00 0.00 41.25 38.99 2k0f s ASN 133 CO 0.16 -2.44 1.36 0.22 -2.94 0.00 0.00 177.10 173.47 2k0f h TYR 134 N -1.22 0.56 -0.79 1.54 3.20 -1.97 0.51 116.97 118.78 2k0f h TYR 134 Ca -0.41 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.17 2k0f h TYR 134 Cb 1.24 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 2k0f h TYR 134 CO -0.84 1.07 0.45 1.49 -1.64 0.00 0.00 178.16 178.69 2k0f h GLU 135 N 0.24 1.09 -0.35 1.82 4.81 -1.95 -1.80 114.58 118.45 2k0f h GLU 135 Ca -0.06 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 135 Cb 1.46 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2k0f h GLU 135 CO 0.14 0.79 -0.24 0.93 -0.73 0.00 0.00 179.01 179.90 2k0f h GLU 136 N 1.09 0.69 -0.14 1.92 5.08 -1.77 0.38 114.58 121.84 2k0f h GLU 136 Ca 0.28 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 136 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 136 CO -0.05 0.87 -0.09 0.35 -1.00 0.00 0.00 179.01 179.09 2k0f h PHE 137 N 0.60 -0.21 0.05 4.33 3.57 -0.95 -2.58 116.94 121.75 2k0f h PHE 137 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 137 Cb 0.73 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2k0f h PHE 137 CO 0.03 -0.14 -0.02 0.28 -2.23 0.00 0.00 178.31 176.23 2k0f h VAL 138 N -0.09 1.18 -0.34 1.41 2.07 -1.06 -3.25 116.25 116.17 2k0f h VAL 138 Ca 0.08 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2k0f h VAL 138 Cb 0.21 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2k0f h VAL 138 CO -0.20 0.19 -0.04 -0.61 0.02 0.00 0.00 177.57 176.94 2k0f h GLN 139 N -0.41 0.55 0.00 1.57 4.15 -0.97 -0.77 115.11 119.23 2k0f h GLN 139 Ca -0.01 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 2k0f h GLN 139 Cb 0.37 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 2k0f h GLN 139 CO 0.01 0.61 -0.08 1.98 -1.93 0.00 0.00 178.83 179.42 2k0f h MET 140 N 0.52 0.00 0.02 1.69 4.05 -1.53 -3.00 114.93 116.68 2k0f h MET 140 Ca 0.11 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.30 2k0f h MET 140 Cb 0.40 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 2k0f h MET 140 CO 0.02 0.08 -1.14 0.52 0.23 0.00 0.00 176.91 176.62 2k0f h MET 141 N 0.00 0.03 0.00 0.39 2.86 -1.19 -3.51 114.93 113.52 2k0f h MET 141 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2k0f h MET 141 Cb 0.14 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2k0f h MET 141 CO 0.01 0.95 0.00 0.25 1.06 0.00 0.00 176.91 179.18