#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 0.00 0.11 -0.78 4.39 -2.04 -2.06 114.58 114.19 2k0f h GLU 2 Ca 0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 2 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k0f h GLU 2 CO 0.00 0.12 -1.27 1.49 -1.16 0.00 0.00 179.01 178.19 2k0f h GLU 3 N 0.00 0.23 0.18 2.33 4.81 -2.05 0.16 114.58 120.23 2k0f h GLU 3 Ca -0.00 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2k0f h GLU 3 Cb 0.39 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 3 CO 0.02 1.16 -0.08 1.96 -0.73 0.00 0.00 179.01 181.33 2k0f h GLN 4 N 0.06 -0.23 -0.40 1.92 4.20 -1.97 -2.92 115.11 115.78 2k0f h GLN 4 Ca -0.14 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.65 2k0f h GLN 4 Cb 1.96 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.73 2k0f h GLN 4 CO 0.19 -0.10 0.04 0.82 -0.67 0.00 0.00 178.83 179.11 2k0f h ILE 5 N -0.30 0.75 -0.98 2.54 1.08 -1.27 -1.81 117.51 117.52 2k0f h ILE 5 Ca -0.02 -0.05 0.19 0.00 -0.39 0.00 0.00 64.86 64.58 2k0f h ILE 5 Cb 0.23 0.57 -0.09 0.00 -3.07 0.00 0.00 36.82 34.46 2k0f h ILE 5 CO 0.04 0.03 0.61 0.00 -0.69 0.00 0.00 178.15 178.14 2k0f h ALA 6 N 1.33 1.82 -0.43 1.87 0.00 -0.67 -0.00 119.26 123.17 2k0f h ALA 6 Ca 0.20 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2k0f h ALA 6 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 6 CO -0.29 -0.16 -0.28 1.49 0.00 0.00 0.00 179.25 180.01 2k0f h GLU 7 N 0.68 0.92 -0.41 0.00 4.81 -1.17 -3.28 114.58 116.14 2k0f h GLU 7 Ca 0.55 -0.42 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 7 Cb 0.96 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 2k0f h GLU 7 CO -0.32 1.08 0.24 0.74 -0.73 0.00 0.00 179.01 180.02 2k0f h PHE 8 N 0.78 0.45 0.27 0.92 0.04 -0.24 -2.07 116.94 117.08 2k0f h PHE 8 Ca 0.09 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2k0f h PHE 8 Cb 0.85 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 2k0f h PHE 8 CO 0.05 0.26 -0.28 0.87 -0.60 0.00 0.00 178.31 178.61 2k0f h LYS 9 N 0.49 -0.56 0.00 1.51 1.57 -1.34 -2.35 116.57 115.88 2k0f h LYS 9 Ca 0.16 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2k0f h LYS 9 Cb 0.01 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k0f h LYS 9 CO -0.08 -0.38 -0.06 -0.85 -0.57 0.00 0.00 179.45 177.51 2k0f n GLU 10 N -5.40 0.19 0.09 3.15 0.28 -1.21 -3.32 120.64 114.43 2k0f n GLU 10 Ca -0.09 0.14 -0.01 0.00 -0.16 0.00 0.00 57.16 57.04 2k0f n GLU 10 Cb 0.31 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 2k0f n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k0f h ALA 11 N 2.66 0.57 -0.99 -1.84 0.00 -1.18 -3.24 119.26 115.24 2k0f h ALA 11 Ca 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 11 Cb 0.67 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2k0f h ALA 11 CO 0.00 0.91 0.63 0.35 0.00 0.00 0.00 179.25 181.14 2k0f h PHE 12 N 0.00 1.13 -1.00 0.00 3.57 -1.42 -3.21 116.94 116.01 2k0f h PHE 12 Ca -0.04 0.03 0.23 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 12 Cb 1.56 -0.36 -0.10 0.00 2.79 0.00 0.00 35.95 39.84 2k0f h PHE 12 CO 0.00 0.51 0.63 0.77 -2.23 0.00 0.00 178.31 177.98 2k0f h SER 13 N 1.03 0.60 -0.92 0.41 0.02 -1.58 0.65 113.55 113.76 2k0f h SER 13 Ca 0.46 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.52 2k0f h SER 13 Cb 0.37 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2k0f h SER 13 CO -0.22 0.17 0.61 -0.07 -1.14 0.00 0.00 176.83 176.18 2k0f h LEU 14 N 0.56 1.04 0.10 5.07 3.38 -1.70 -3.20 115.31 120.56 2k0f h LEU 14 Ca 0.58 -0.02 -0.34 0.00 0.09 0.00 0.00 57.88 58.19 2k0f h LEU 14 Cb 1.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2k0f h LEU 14 CO -0.34 0.74 -1.86 0.49 0.09 0.00 0.00 178.44 177.56 2k0f n PHE 15 N -4.41 1.22 -2.87 1.13 3.01 -0.07 -4.76 117.46 110.71 2k0f n PHE 15 Ca 0.11 0.30 -0.43 0.00 1.01 0.00 0.00 57.45 58.44 2k0f n PHE 15 Cb 0.05 -1.15 -0.03 0.00 -0.01 0.00 0.00 39.48 38.33 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k0f s ASP 16 N -7.01 6.47 0.33 4.37 2.15 0.02 -4.59 116.67 118.41 2k0f s ASP 16 Ca -0.24 -1.66 0.13 0.00 0.43 0.00 0.00 52.55 51.22 2k0f s ASP 16 Cb 0.06 -2.42 0.56 0.00 -0.30 0.00 0.00 42.92 40.82 2k0f s ASP 16 CO 0.73 -1.23 1.72 0.11 -0.17 0.00 0.00 175.17 176.34 2k0f h LYS 17 N 9.16 0.00 0.00 4.34 1.79 -1.86 -3.29 116.57 126.71 2k0f h LYS 17 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2k0f h LYS 17 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2k0f h LYS 17 CO 1.16 0.48 0.00 -0.40 -1.08 0.00 0.00 179.45 179.62 2k0f n ASP 18 N -3.87 0.00 0.00 0.86 5.68 -1.26 -5.06 116.55 112.90 2k0f n ASP 18 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2k0f n ASP 18 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 2.61 0.00 0.08 6.12 0.00 -1.24 -5.03 105.19 107.73 2k0f n GLY 19 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.11 0.00 1.61 2.03 -1.97 -3.47 116.42 114.72 2k0f h ASP 20 Ca 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 2k0f h ASP 20 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 2k0f h ASP 20 CO 0.00 1.12 0.00 0.61 -1.03 0.00 0.00 179.24 179.94 2k0f n GLY 21 N 1.48 1.30 2.98 7.15 0.00 -1.26 -5.11 105.19 111.74 2k0f n GLY 21 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 0.48 -0.29 2.61 -4.23 -1.26 -2.83 115.64 108.12 2k0f s THR 22 Ca 0.00 -0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.03 2k0f s THR 22 Cb 0.00 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 2k0f s THR 22 CO 0.00 0.08 0.29 -0.63 -0.54 0.00 0.00 174.62 173.81 2k0f s ILE 23 N -0.27 5.24 0.46 2.99 1.01 0.13 -4.80 121.20 125.95 2k0f s ILE 23 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2k0f s ILE 23 Cb -0.03 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 2k0f s ILE 23 CO -0.00 0.14 0.68 0.42 0.00 0.00 0.00 174.94 176.18 2k0f s THR 24 N 1.91 3.91 0.27 2.92 -4.23 -1.26 -2.99 115.64 116.16 2k0f s THR 24 Ca 0.11 -0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 2k0f s THR 24 Cb -0.16 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.50 2k0f s THR 24 CO 0.11 -0.31 1.68 0.71 -0.54 0.00 0.00 174.62 176.26 2k0f h THR 25 N 0.37 0.45 -0.27 3.99 1.35 -1.91 -0.89 112.91 116.00 2k0f h THR 25 Ca -0.46 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 65.21 2k0f h THR 25 Cb 1.26 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2k0f h THR 25 CO 0.57 0.05 -0.25 0.11 -0.25 0.00 0.00 175.52 175.75 2k0f h LYS 26 N 0.28 0.52 0.16 4.72 1.79 -1.98 0.48 116.57 122.54 2k0f h LYS 26 Ca 0.48 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 2k0f h LYS 26 Cb 0.88 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2k0f h LYS 26 CO -0.56 0.73 -0.08 0.93 -1.08 0.00 0.00 179.45 179.40 2k0f h GLU 27 N 0.46 -0.20 -0.17 3.15 5.08 -1.74 -2.57 114.58 118.59 2k0f h GLU 27 Ca 0.07 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 27 Cb 0.68 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2k0f h GLU 27 CO 0.05 0.11 0.00 1.25 -1.00 0.00 0.00 179.01 179.42 2k0f h LEU 28 N -0.53 -0.06 -0.63 1.33 5.85 -1.05 -2.25 115.31 117.96 2k0f h LEU 28 Ca -0.02 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2k0f h LEU 28 Cb 0.41 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 2k0f h LEU 28 CO 0.04 -0.01 0.11 1.23 -0.34 0.00 0.00 178.44 179.47 2k0f h GLY 29 N 0.06 0.80 0.64 3.75 0.00 -0.98 0.28 103.07 107.61 2k0f h GLY 29 Ca 0.08 -0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.55 2k0f h GLY 29 CO -0.13 -0.15 0.52 -0.84 0.00 0.00 0.00 176.54 175.94 2k0f h THR 30 N 0.23 0.80 0.49 4.70 2.02 -0.98 0.42 112.91 120.58 2k0f h THR 30 Ca 0.34 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2k0f h THR 30 Cb 0.53 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2k0f h THR 30 CO -0.46 0.09 -0.24 0.58 0.37 0.00 0.00 175.52 175.87 2k0f h VAL 31 N 0.47 0.11 -0.91 3.16 2.07 -0.89 -3.27 116.25 116.99 2k0f h VAL 31 Ca 0.39 -0.53 0.25 0.00 0.82 0.00 0.00 66.70 67.63 2k0f h VAL 31 Cb 0.83 0.17 -0.16 0.00 -1.52 0.00 0.00 31.29 30.61 2k0f h VAL 31 CO -0.14 0.02 0.10 -0.03 0.02 0.00 0.00 177.57 177.54 2k0f h MET 32 N -1.14 0.08 0.00 1.57 -1.53 -0.31 0.71 114.93 114.32 2k0f h MET 32 Ca -0.07 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 2k0f h MET 32 Cb 0.54 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 2k0f h MET 32 CO 0.11 0.05 0.00 0.07 0.14 0.00 0.00 176.91 177.28 2k0f h ARG 33 N 0.08 0.00 0.05 0.39 0.11 -0.87 -0.40 114.38 113.74 2k0f h ARG 33 Ca 0.56 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.41 2k0f h ARG 33 Cb 1.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 2k0f h ARG 33 CO -0.79 0.00 -1.05 0.77 0.10 0.00 0.00 179.97 179.00 2k0f h SER 34 N 0.00 0.23 -0.12 0.08 0.02 -0.94 -3.17 113.55 109.66 2k0f h SER 34 Ca 0.00 -0.23 -0.17 0.00 -0.84 0.00 0.00 61.79 60.55 2k0f h SER 34 Cb 0.56 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2k0f h SER 34 CO 0.00 1.13 -0.58 -0.07 -1.14 0.00 0.00 176.83 176.17 2k0f h LEU 35 N 0.06 0.72 0.00 5.07 3.38 -1.31 -3.49 115.31 119.75 2k0f h LEU 35 Ca -0.07 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2k0f h LEU 35 Cb 1.77 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2k0f h LEU 35 CO 0.16 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.54 2k0f n GLY 36 N 0.70 0.49 3.11 0.83 0.00 -0.27 -5.00 105.19 105.06 2k0f n GLY 36 Ca -0.08 0.00 -0.11 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 0.67 -0.32 1.61 -1.52 -0.55 -4.96 119.66 114.60 2k0f s GLN 37 Ca 0.00 -1.09 0.00 0.00 -1.95 0.00 0.00 55.36 52.32 2k0f s GLN 37 Cb 0.00 -0.14 0.14 0.00 -0.22 0.00 0.00 33.01 32.79 2k0f s GLN 37 CO 0.00 -0.02 0.28 -0.80 -0.25 0.00 0.00 175.29 174.51 2k0f s ASN 38 N -2.48 1.95 0.83 5.90 0.01 -1.26 -3.19 114.94 116.70 2k0f s ASN 38 Ca 0.03 -1.23 -0.11 0.00 -0.71 0.00 0.00 52.86 50.84 2k0f s ASN 38 Cb 0.00 0.29 0.12 0.00 0.41 0.00 0.00 41.25 42.08 2k0f s ASN 38 CO -0.04 -0.35 1.17 -2.16 -1.51 0.00 0.00 177.10 174.21 2k0f s PRO 39 N 1.92 1.54 0.96 -0.60 0.04 -1.26 -5.09 135.00 132.50 2k0f s PRO 39 Ca 0.12 -0.26 -0.11 0.00 0.04 0.00 0.00 61.00 60.80 2k0f s PRO 39 Cb -0.16 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.55 2k0f s PRO 39 CO -0.22 -1.78 1.11 0.95 0.04 0.00 0.00 177.00 177.11 2k0f s THR 40 N -3.57 2.19 -0.47 1.26 -4.23 -1.26 -4.91 115.64 104.66 2k0f s THR 40 Ca 0.66 0.06 0.23 0.00 -1.18 0.00 0.00 61.69 61.47 2k0f s THR 40 Cb -0.08 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2k0f s THR 40 CO 0.49 -0.08 1.19 -0.33 -0.54 0.00 0.00 174.62 175.34 2k0f h GLU 41 N -1.96 0.00 -0.15 3.99 5.08 -1.98 -2.30 114.58 117.26 2k0f h GLU 41 Ca -0.47 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2k0f h GLU 41 Cb 1.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 2k0f h GLU 41 CO 0.45 0.00 -0.32 0.00 -1.00 0.00 0.00 179.01 178.13 2k0f h ALA 42 N 2.29 -0.36 0.47 3.43 0.00 -1.99 -2.05 119.26 121.04 2k0f h ALA 42 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 42 Cb 0.86 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2k0f h ALA 42 CO 0.00 -0.79 -0.29 0.93 0.00 0.00 0.00 179.25 179.10 2k0f h GLU 43 N -0.39 -0.69 -0.97 0.00 5.08 -1.89 -2.98 114.58 112.74 2k0f h GLU 43 Ca 0.10 0.05 0.24 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 43 Cb 0.55 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 43 CO -0.37 -0.46 0.65 1.25 -1.00 0.00 0.00 179.01 179.08 2k0f h LEU 44 N -0.72 0.35 0.00 1.33 5.85 -1.42 -0.28 115.31 120.42 2k0f h LEU 44 Ca -0.05 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 44 Cb 0.59 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2k0f h LEU 44 CO 0.05 0.11 -1.08 -0.61 -0.34 0.00 0.00 178.44 176.57 2k0f h GLN 45 N 0.33 0.00 -0.02 1.25 4.15 -1.39 -3.31 115.11 116.12 2k0f h GLN 45 Ca 0.51 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.87 2k0f h GLN 45 Cb 1.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 2k0f h GLN 45 CO -0.19 0.12 -0.32 0.22 -1.93 0.00 0.00 178.83 176.74 2k0f h ASP 46 N 0.00 0.03 -0.32 -0.69 3.58 -0.91 -1.74 116.42 116.37 2k0f h ASP 46 Ca -0.06 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.45 2k0f h ASP 46 Cb 1.22 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 42.19 2k0f h ASP 46 CO 0.02 0.35 -0.16 0.24 -2.88 0.00 0.00 179.24 176.81 2k0f h MET 47 N 0.03 -0.11 -0.34 0.28 2.86 -1.47 0.12 114.93 116.30 2k0f h MET 47 Ca 0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 47 Cb 0.57 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 47 CO 0.04 -0.07 0.10 0.82 1.06 0.00 0.00 176.91 178.87 2k0f h ILE 48 N -0.11 1.21 -0.15 -1.22 1.08 -1.51 -3.01 117.51 113.80 2k0f h ILE 48 Ca 0.17 -0.68 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 2k0f h ILE 48 Cb 0.36 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2k0f h ILE 48 CO -0.39 0.23 -0.07 0.78 -0.69 0.00 0.00 178.15 178.01 2k0f h ASN 49 N 0.40 0.20 -0.11 1.72 2.35 -1.04 -1.83 115.58 117.28 2k0f h ASN 49 Ca 0.11 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 49 Cb 0.26 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2k0f h ASN 49 CO -0.00 0.31 0.01 -0.08 -1.65 0.00 0.00 177.43 176.02 2k0f h GLU 50 N 0.21 0.19 0.05 0.81 4.57 -0.61 -3.27 114.58 116.53 2k0f h GLU 50 Ca 0.05 -0.06 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 2k0f h GLU 50 Cb 0.28 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k0f h GLU 50 CO 0.01 0.42 -1.04 0.28 -1.18 0.00 0.00 179.01 177.51 2k0f h VAL 51 N -0.06 1.53 -1.38 0.32 2.07 -1.59 -3.45 116.25 113.68 2k0f h VAL 51 Ca 0.03 -2.90 -0.56 0.00 0.82 0.00 0.00 66.70 64.09 2k0f h VAL 51 Cb 0.33 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2k0f h VAL 51 CO 0.00 0.85 1.55 -0.67 0.02 0.00 0.00 177.57 179.32 2k0f n ASP 52 N -3.57 2.29 -0.05 0.57 2.03 -0.70 -4.88 116.55 112.24 2k0f n ASP 52 Ca -0.05 0.02 -0.19 0.00 0.52 0.00 0.00 54.79 55.09 2k0f n ASP 52 Cb 0.91 -1.41 -0.13 0.00 -0.72 0.00 0.00 41.12 39.76 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 12.50 1.17 -0.00 -1.67 0.00 -1.26 -4.60 120.51 126.64 2k0f n ALA 53 Ca 0.40 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 2k0f n ALA 53 Cb 0.37 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 0.04 -0.09 0.00 0.00 3.04 -1.94 -3.49 116.42 113.97 2k0f h ASP 54 Ca -0.48 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2k0f h ASP 54 Cb 2.00 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 40.31 2k0f h ASP 54 CO 0.02 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.23 2k0f n GLY 55 N 1.51 1.15 0.01 7.15 0.00 -1.26 -5.01 105.19 108.74 2k0f n GLY 55 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.37 0.00 1.61 0.23 -1.26 -4.95 115.26 111.26 2k0f n ASN 56 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2k0f n ASN 56 Cb 0.00 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.47 0.51 3.04 4.83 0.00 -1.26 -5.04 105.19 108.73 2k0f n GLY 57 Ca 0.06 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.34 -0.16 2.61 -4.23 -1.26 -4.88 115.64 106.06 2k0f s THR 58 Ca 0.00 -1.11 -0.24 0.00 -1.18 0.00 0.00 61.69 59.16 2k0f s THR 58 Cb 0.00 -0.59 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 2k0f s THR 58 CO 0.00 -0.51 0.74 -0.51 -0.54 0.00 0.00 174.62 173.81 2k0f s ILE 59 N -1.74 4.95 0.49 2.99 2.07 -1.16 -4.74 121.20 124.06 2k0f s ILE 59 Ca -0.10 1.46 0.06 0.00 -1.41 0.00 0.00 60.65 60.65 2k0f s ILE 59 Cb -0.08 -4.06 0.03 0.00 0.13 0.00 0.00 42.46 38.48 2k0f s ILE 59 CO -0.01 0.09 0.68 -1.81 -1.91 0.00 0.00 174.94 171.97 2k0f s ASP 60 N 1.11 5.42 0.15 4.50 1.11 -1.26 0.22 116.67 127.91 2k0f s ASP 60 Ca 0.35 -0.33 -0.27 0.00 0.18 0.00 0.00 52.55 52.48 2k0f s ASP 60 Cb -0.16 -0.60 -0.01 0.00 1.07 0.00 0.00 42.92 43.21 2k0f s ASP 60 CO 0.13 -0.99 1.58 0.15 1.18 0.00 0.00 175.17 177.21 2k0f h PHE 61 N 0.35 -1.19 0.00 4.23 3.57 -1.93 0.13 116.94 122.10 2k0f h PHE 61 Ca -0.39 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2k0f h PHE 61 Cb 1.29 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 40.59 2k0f h PHE 61 CO 0.36 -0.44 -0.06 -1.00 -2.23 0.00 0.00 178.31 174.94 2k0f h PRO 62 N -0.37 0.00 0.00 6.41 0.13 -1.97 0.29 132.00 136.49 2k0f h PRO 62 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2k0f h PRO 62 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2k0f h PRO 62 CO -0.51 0.06 -0.04 0.93 -0.23 0.00 0.00 178.00 178.21 2k0f h GLU 63 N 0.00 0.02 -0.67 0.86 5.08 -1.90 -1.93 114.58 116.04 2k0f h GLU 63 Ca -0.00 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 63 Cb 0.44 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 63 CO 0.01 0.89 -0.29 0.35 -1.00 0.00 0.00 179.01 178.97 2k0f h PHE 64 N -0.84 -0.76 -0.61 4.33 3.57 -0.54 -1.59 116.94 120.50 2k0f h PHE 64 Ca -0.01 0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.69 2k0f h PHE 64 Cb 0.91 0.43 -0.11 0.00 2.79 0.00 0.00 35.95 39.98 2k0f h PHE 64 CO 0.23 -0.36 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.85 2k0f h LEU 65 N -0.10 -0.33 0.10 0.59 3.38 -0.94 -2.77 115.31 115.23 2k0f h LEU 65 Ca 0.28 0.16 -0.28 0.00 0.09 0.00 0.00 57.88 58.13 2k0f h LEU 65 Cb 0.55 0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.61 2k0f h LEU 65 CO -0.73 -0.13 -1.24 0.74 0.09 0.00 0.00 178.44 177.17 2k0f h THR 66 N 0.09 1.42 0.00 0.22 2.02 -1.02 -1.29 112.91 114.34 2k0f h THR 66 Ca 0.31 -2.84 -0.16 0.00 0.77 0.00 0.00 66.41 64.50 2k0f h THR 66 Cb 0.51 2.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 2k0f h THR 66 CO -0.55 0.84 -0.75 -0.03 0.37 0.00 0.00 175.52 175.40 2k0f h MET 67 N 0.13 0.00 -0.17 6.66 1.85 -1.14 -1.61 114.93 120.65 2k0f h MET 67 Ca -0.15 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.77 2k0f h MET 67 Cb 1.94 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.97 2k0f h MET 67 CO 0.22 0.75 -0.56 0.52 -0.40 0.00 0.00 176.91 177.43 2k0f h MET 68 N 0.00 0.52 0.00 0.39 2.07 -1.57 -3.19 114.93 113.15 2k0f h MET 68 Ca -0.01 -0.33 0.00 0.00 -2.07 0.00 0.00 59.70 57.29 2k0f h MET 68 Cb 1.43 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 31.21 2k0f h MET 68 CO 0.10 0.94 0.00 0.00 1.07 0.00 0.00 176.91 179.02 2k0f n ALA 69 N -2.51 2.07 -2.67 6.32 0.00 -0.49 -4.73 120.51 118.50 2k0f n ALA 69 Ca -0.03 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2k0f n ALA 69 Cb 0.61 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.59 4.28 0.42 0.00 3.52 -1.05 -5.04 118.95 118.50 2k0f s ARG 70 Ca 0.19 0.98 -0.22 0.00 -0.13 0.00 0.00 55.73 56.55 2k0f s ARG 70 Cb 0.14 -3.58 -0.10 0.00 -1.56 0.00 0.00 34.95 29.85 2k0f s ARG 70 CO 0.32 -0.33 0.98 0.21 -0.81 0.00 0.00 175.30 175.67 2k0f s LYS 71 N 2.17 4.18 0.26 5.12 2.20 -1.26 -5.04 119.74 127.36 2k0f s LYS 71 Ca 0.37 1.25 0.10 0.00 -0.36 0.00 0.00 55.97 57.33 2k0f s LYS 71 Cb -0.16 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 2k0f s LYS 71 CO 0.12 -0.09 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.30 2k0f s MET 72 N -2.95 2.07 1.03 4.03 -1.94 -1.26 -5.13 119.30 115.15 2k0f s MET 72 Ca 0.61 -1.50 -0.12 0.00 -1.71 0.00 0.00 55.69 52.97 2k0f s MET 72 Cb -0.13 -2.05 0.21 0.00 2.01 0.00 0.00 34.83 34.87 2k0f s MET 72 CO 0.18 0.37 1.08 0.21 -0.01 0.00 0.00 175.02 176.84 2k0f s LYS 73 N -3.49 0.17 0.12 2.03 2.20 -1.26 -4.71 119.74 114.80 2k0f s LYS 73 Ca 0.30 0.65 -0.25 0.00 -0.36 0.00 0.00 55.97 56.32 2k0f s LYS 73 Cb -0.06 -1.70 -0.07 0.00 -1.51 0.00 0.00 37.83 34.49 2k0f s LYS 73 CO 0.18 -2.94 1.66 0.38 -0.36 0.00 0.00 175.35 174.27 2k0f h ASP 74 N -2.05 -0.51 -0.82 1.43 3.04 -2.00 0.16 116.42 115.66 2k0f h ASP 74 Ca -0.56 0.07 0.07 0.00 -3.24 0.00 0.00 57.03 53.38 2k0f h ASP 74 Cb 1.32 0.21 -0.10 0.00 -1.04 0.00 0.00 39.33 39.73 2k0f h ASP 74 CO 0.55 -0.24 -0.48 0.35 -2.04 0.00 0.00 179.24 177.37 2k0f n THR 75 N -5.31 -0.56 0.25 1.15 -2.24 -1.26 -0.99 114.28 105.33 2k0f n THR 75 Ca -0.05 2.05 0.13 0.00 -2.27 0.00 0.00 64.05 63.91 2k0f n THR 75 Cb 0.22 -2.54 0.61 0.00 -2.10 0.00 0.00 70.33 66.52 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N 0.00 0.00 0.06 3.42 5.19 -1.84 0.14 116.42 123.39 2k0f h ASP 76 Ca 0.13 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2k0f h ASP 76 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2k0f h ASP 76 CO -0.77 0.13 -0.03 0.28 -3.12 0.00 0.00 179.24 175.73 2k0f h SER 77 N 0.00 -0.07 -0.51 6.45 0.02 -0.42 -2.60 113.55 116.41 2k0f h SER 77 Ca -0.00 -0.54 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 2k0f h SER 77 Cb 0.57 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 2k0f h SER 77 CO 0.02 0.64 0.24 -0.08 -1.14 0.00 0.00 176.83 176.50 2k0f h GLU 78 N -0.91 0.45 -0.66 3.45 4.81 -0.98 -2.61 114.58 118.12 2k0f h GLU 78 Ca -0.01 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 78 Cb 0.60 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 2k0f h GLU 78 CO 0.01 0.30 0.22 1.49 -0.73 0.00 0.00 179.01 180.30 2k0f h GLU 79 N 0.46 0.36 -0.21 1.92 4.81 -0.83 -2.81 114.58 118.29 2k0f h GLU 79 Ca 0.23 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2k0f h GLU 79 Cb 0.18 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 79 CO -0.19 0.24 -0.00 1.49 -0.73 0.00 0.00 179.01 179.82 2k0f h GLU 80 N 0.37 0.06 0.00 1.92 4.81 -1.06 -1.68 114.58 119.01 2k0f h GLU 80 Ca 0.35 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 80 Cb 0.50 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 80 CO -0.38 0.04 -1.44 0.82 -0.73 0.00 0.00 179.01 177.32 2k0f h ILE 81 N 0.06 0.62 -0.12 2.32 2.04 -1.64 -2.83 117.51 117.97 2k0f h ILE 81 Ca 0.10 -2.21 -0.16 0.00 1.00 0.00 0.00 64.86 63.60 2k0f h ILE 81 Cb 0.13 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2k0f h ILE 81 CO -0.17 0.35 -0.53 -0.09 0.00 0.00 0.00 178.15 177.71 2k0f h ARG 82 N 0.00 0.58 -0.51 2.37 1.12 -1.21 -2.57 114.38 114.16 2k0f h ARG 82 Ca -0.18 -0.46 -0.04 0.00 -1.11 0.00 0.00 59.98 58.19 2k0f h ARG 82 Cb 1.69 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.72 2k0f h ARG 82 CO 0.06 1.08 0.14 0.93 -3.11 0.00 0.00 179.97 179.07 2k0f h GLU 83 N 0.21 0.76 -0.96 0.20 4.39 -1.43 -2.68 114.58 115.07 2k0f h GLU 83 Ca -0.03 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 83 Cb 1.17 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.64 2k0f h GLU 83 CO 0.11 0.68 0.63 0.00 -1.16 0.00 0.00 179.01 179.27 2k0f h ALA 84 N 1.41 1.42 -0.40 3.43 0.00 -1.48 -2.60 119.26 121.04 2k0f h ALA 84 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2k0f h ALA 84 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 84 CO -0.01 0.46 -0.09 0.35 0.00 0.00 0.00 179.25 179.97 2k0f h PHE 85 N 1.16 0.75 0.00 0.00 3.57 -1.11 -3.10 116.94 118.21 2k0f h PHE 85 Ca 0.40 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2k0f h PHE 85 Cb 0.10 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2k0f h PHE 85 CO -0.00 0.76 0.00 0.00 -2.23 0.00 0.00 178.31 176.84 2k0f h ARG 86 N 0.64 0.00 0.73 1.11 3.08 -1.35 -2.98 114.38 115.62 2k0f h ARG 86 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 2k0f h ARG 86 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 2k0f h ARG 86 CO 0.03 0.00 -0.35 0.28 -1.07 0.00 0.00 179.97 178.86 2k0f h VAL 87 N 0.00 0.25 0.06 2.04 2.07 -1.62 -3.39 116.25 115.65 2k0f h VAL 87 Ca 0.00 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 2k0f h VAL 87 Cb 0.36 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2k0f h VAL 87 CO 0.00 0.01 -0.38 -0.26 0.02 0.00 0.00 177.57 176.96 2k0f h PHE 88 N -1.04 0.28 -2.15 1.57 -1.00 -1.69 -3.43 116.94 109.48 2k0f h PHE 88 Ca -0.10 -0.19 -0.54 0.00 2.81 0.00 0.00 57.97 59.94 2k0f h PHE 88 Cb 0.77 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 2k0f h PHE 88 CO -0.01 1.11 1.42 0.34 -1.61 0.00 0.00 178.31 179.57 2k0f s ASP 89 N -6.55 5.36 -0.00 2.17 2.15 -1.13 -4.65 116.67 114.01 2k0f s ASP 89 Ca -0.16 1.27 0.14 0.00 0.43 0.00 0.00 52.55 54.22 2k0f s ASP 89 Cb -0.01 -2.52 -0.20 0.00 -0.30 0.00 0.00 42.92 39.90 2k0f s ASP 89 CO 0.76 -2.13 0.74 0.50 -0.17 0.00 0.00 175.17 174.87 2k0f h LYS 90 N 15.23 0.00 0.10 4.34 1.63 -1.85 -3.36 116.57 132.66 2k0f h LYS 90 Ca -0.32 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.16 2k0f h LYS 90 Cb 1.21 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 2k0f h LYS 90 CO 1.07 0.45 -1.67 0.38 -3.45 0.00 0.00 179.45 176.22 2k0f h ASP 91 N 0.00 0.33 0.00 4.20 3.04 -1.92 -3.49 116.42 118.58 2k0f h ASP 91 Ca -0.24 -0.55 0.00 0.00 -3.24 0.00 0.00 57.03 53.00 2k0f h ASP 91 Cb 1.87 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 40.05 2k0f h ASP 91 CO 0.07 1.47 0.00 0.61 -2.04 0.00 0.00 179.24 179.35 2k0f n GLY 92 N 1.73 0.58 0.17 7.15 0.00 -1.26 -4.99 105.19 108.58 2k0f n GLY 92 Ca -0.20 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.03 1.61 -1.07 -1.94 -3.47 115.58 110.68 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.81 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.06 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.57 1.25 3.56 9.14 0.00 -1.26 -5.11 105.19 113.33 2k0f n GLY 94 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.03 -0.83 -0.28 1.61 1.51 -1.26 -4.21 117.35 111.87 2k0f s TYR 95 Ca 0.00 1.84 -0.18 0.00 -1.01 0.00 0.00 57.07 57.72 2k0f s TYR 95 Cb 0.00 0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 42.21 2k0f s TYR 95 CO 0.00 -0.41 0.50 0.42 -1.11 0.00 0.00 175.55 174.95 2k0f s ILE 96 N 0.89 5.07 0.42 2.71 1.01 0.14 -4.58 121.20 126.86 2k0f s ILE 96 Ca -0.04 0.76 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 2k0f s ILE 96 Cb -0.05 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2k0f s ILE 96 CO -0.08 0.04 0.67 -0.44 0.00 0.00 0.00 174.94 175.13 2k0f s SER 97 N 1.60 6.19 0.26 3.58 0.01 -1.26 -1.52 113.70 122.56 2k0f s SER 97 Ca 0.20 0.61 -0.01 0.00 1.31 0.00 0.00 55.95 58.06 2k0f s SER 97 Cb -0.16 -2.03 0.52 0.00 0.21 0.00 0.00 66.02 64.56 2k0f s SER 97 CO 0.10 -0.48 1.77 0.00 0.41 0.00 0.00 173.24 175.03 2k0f h ALA 98 N 0.47 1.28 -0.33 1.44 0.00 -1.95 0.14 119.26 120.32 2k0f h ALA 98 Ca -0.48 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 98 Cb 1.22 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2k0f h ALA 98 CO 0.61 -0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 2k0f h ALA 99 N 1.55 0.15 -0.66 0.00 0.00 -1.98 -1.25 119.26 117.07 2k0f h ALA 99 Ca 0.46 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.50 2k0f h ALA 99 Cb 0.63 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k0f h ALA 99 CO -0.35 -0.50 0.43 0.93 0.00 0.00 0.00 179.25 179.76 2k0f h GLU 100 N -0.06 0.86 -0.24 0.00 5.08 -1.53 -0.49 114.58 118.20 2k0f h GLU 100 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 100 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 100 CO -0.37 0.57 0.08 1.25 -1.00 0.00 0.00 179.01 179.54 2k0f h LEU 101 N 0.88 0.34 -0.48 1.33 5.85 -0.73 -3.08 115.31 119.42 2k0f h LEU 101 Ca 0.24 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 101 Cb -0.09 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2k0f h LEU 101 CO -0.06 0.45 0.11 -0.09 -0.34 0.00 0.00 178.44 178.50 2k0f h ARG 102 N 0.22 0.78 -0.56 1.25 2.43 -1.13 -2.54 114.38 114.83 2k0f h ARG 102 Ca 0.08 -0.19 0.11 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 102 Cb 0.22 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 2k0f h ARG 102 CO -0.00 0.77 0.04 1.25 -1.51 0.00 0.00 179.97 180.51 2k0f h HIS 103 N 0.66 0.03 -0.58 2.20 2.76 -1.15 -1.51 115.15 117.57 2k0f h HIS 103 Ca 0.15 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 2k0f h HIS 103 Cb 0.34 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2k0f h HIS 103 CO 0.02 -0.10 0.03 0.28 -1.30 0.00 0.00 177.93 176.86 2k0f h VAL 104 N 0.16 1.26 -0.24 5.26 2.07 -1.41 -1.57 116.25 121.76 2k0f h VAL 104 Ca 0.29 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2k0f h VAL 104 Cb 0.45 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2k0f h VAL 104 CO -0.44 0.39 -0.13 0.24 0.02 0.00 0.00 177.57 177.64 2k0f h MET 105 N 0.90 0.52 -0.46 1.57 2.86 -1.19 -0.38 114.93 118.75 2k0f h MET 105 Ca 0.17 -0.23 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2k0f h MET 105 Cb 0.48 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2k0f h MET 105 CO 0.02 0.79 0.05 1.15 1.06 0.00 0.00 176.91 179.98 2k0f h THR 106 N 0.24 0.69 -0.66 2.22 2.02 -1.28 0.06 112.91 116.20 2k0f h THR 106 Ca 0.05 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2k0f h THR 106 Cb 0.64 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2k0f h THR 106 CO 0.04 0.03 0.44 0.78 0.37 0.00 0.00 175.52 177.18 2k0f h ASN 107 N 0.17 0.43 0.53 4.18 2.35 -1.12 -3.15 115.58 118.97 2k0f h ASN 107 Ca 0.23 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 2k0f h ASN 107 Cb 0.33 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.62 2k0f h ASN 107 CO -0.34 0.26 -0.26 -0.07 -1.65 0.00 0.00 177.43 175.37 2k0f h LEU 108 N 0.48 -0.60 0.00 1.61 3.38 0.12 -3.47 115.31 116.82 2k0f h LEU 108 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2k0f h LEU 108 Cb 0.55 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k0f h LEU 108 CO -0.09 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.83 2k0f n GLY 109 N -0.33 0.00 3.90 0.83 0.00 -0.17 -5.10 105.19 104.32 2k0f n GLY 109 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 3.67 -0.57 1.61 0.41 -0.19 -4.98 118.70 118.64 2k0f s GLU 110 Ca 0.00 0.06 0.01 0.00 -0.41 0.00 0.00 54.97 54.64 2k0f s GLU 110 Cb 0.00 -2.66 0.14 0.00 -1.78 0.00 0.00 34.13 29.84 2k0f s GLU 110 CO 0.00 0.25 0.34 0.15 -0.49 0.00 0.00 175.26 175.51 2k0f s LYS 111 N -3.33 2.24 -0.11 1.61 3.01 -1.26 -4.23 119.74 117.67 2k0f s LYS 111 Ca 0.45 -2.63 -0.05 0.00 -1.01 0.00 0.00 55.97 52.73 2k0f s LYS 111 Cb -0.11 -3.49 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 2k0f s LYS 111 CO 0.28 -1.14 0.08 -0.51 0.51 0.00 0.00 175.35 174.56 2k0f s LEU 112 N -0.28 4.04 0.68 3.17 1.43 -1.26 -5.13 118.68 121.34 2k0f s LEU 112 Ca 0.17 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2k0f s LEU 112 Cb -0.23 -1.96 0.10 0.00 0.03 0.00 0.00 46.19 44.12 2k0f s LEU 112 CO -0.02 0.40 0.96 0.42 0.23 0.00 0.00 176.35 178.33 2k0f s THR 113 N -0.96 2.30 0.17 5.49 -4.23 -1.26 -5.03 115.64 112.11 2k0f s THR 113 Ca 0.14 -0.53 0.12 0.00 -1.18 0.00 0.00 61.69 60.24 2k0f s THR 113 Cb -0.12 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 2k0f s THR 113 CO 0.03 0.00 1.54 0.44 -0.54 0.00 0.00 174.62 176.09 2k0f h ASP 114 N -0.44 0.00 -0.27 3.99 3.32 -2.00 -3.11 116.42 117.92 2k0f h ASP 114 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2k0f h ASP 114 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2k0f h ASP 114 CO 0.46 0.64 0.17 -0.08 -1.72 0.00 0.00 179.24 178.72 2k0f h GLU 115 N 0.00 0.34 0.49 3.56 4.81 -1.99 -0.93 114.58 120.86 2k0f h GLU 115 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 115 Cb 1.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2k0f h GLU 115 CO 0.08 0.23 -0.28 0.93 -0.73 0.00 0.00 179.01 179.24 2k0f h GLU 116 N 0.35 -0.70 -0.55 1.92 5.08 -1.96 -1.72 114.58 117.00 2k0f h GLU 116 Ca 0.10 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 116 Cb -0.03 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 116 CO -0.03 -0.47 0.03 0.28 -1.00 0.00 0.00 179.01 177.82 2k0f h VAL 117 N -0.72 1.26 -0.34 3.13 2.07 -1.45 -2.82 116.25 117.37 2k0f h VAL 117 Ca -0.06 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2k0f h VAL 117 Cb 0.58 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2k0f h VAL 117 CO 0.07 0.39 0.17 -0.78 0.02 0.00 0.00 177.57 177.44 2k0f h ASP 118 N 0.85 0.45 -0.46 0.57 3.58 -1.20 -3.06 116.42 117.14 2k0f h ASP 118 Ca 0.16 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2k0f h ASP 118 Cb 0.50 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2k0f h ASP 118 CO 0.02 0.44 0.25 -0.08 -2.88 0.00 0.00 179.24 177.00 2k0f h GLU 119 N 0.42 0.67 0.00 0.28 4.81 -1.09 -1.87 114.58 117.81 2k0f h GLU 119 Ca 0.12 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 119 Cb 0.11 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2k0f h GLU 119 CO -0.02 0.51 -1.07 0.52 -0.73 0.00 0.00 179.01 178.22 2k0f h MET 120 N 0.68 0.01 -0.06 1.92 2.86 -1.49 -1.14 114.93 117.71 2k0f h MET 120 Ca 0.17 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 120 Cb 0.04 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 120 CO -0.03 0.96 -0.06 0.82 1.06 0.00 0.00 176.91 179.66 2k0f h ILE 121 N 0.00 1.38 -0.07 -1.22 1.08 -1.47 -0.97 117.51 116.23 2k0f h ILE 121 Ca -0.04 -1.24 0.03 0.00 -0.39 0.00 0.00 64.86 63.23 2k0f h ILE 121 Cb 1.80 2.08 -0.06 0.00 -3.07 0.00 0.00 36.82 37.56 2k0f h ILE 121 CO 0.13 0.34 -0.49 -0.09 -0.69 0.00 0.00 178.15 177.34 2k0f h ARG 122 N -0.30 -0.57 -0.90 2.37 2.43 -1.34 0.01 114.38 116.08 2k0f h ARG 122 Ca 0.01 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 2k0f h ARG 122 Cb 0.58 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2k0f h ARG 122 CO 0.02 -0.38 0.58 1.49 -1.51 0.00 0.00 179.97 180.17 2k0f h GLU 123 N -0.59 0.97 -0.24 0.20 4.81 -1.16 -3.10 114.58 115.47 2k0f h GLU 123 Ca 0.04 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 123 Cb 0.68 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 123 CO -0.39 0.64 -0.24 0.00 -0.73 0.00 0.00 179.01 178.29 2k0f h ALA 124 N 1.52 0.35 -2.40 2.92 0.00 -0.90 -3.46 119.26 117.28 2k0f h ALA 124 Ca 0.39 -0.38 -0.47 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 124 Cb 0.24 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k0f h ALA 124 CO -0.15 0.32 0.39 0.34 0.00 0.00 0.00 179.25 180.15 2k0f s ASP 125 N -6.40 6.67 -0.09 0.00 2.15 -0.03 -4.66 116.67 114.31 2k0f s ASP 125 Ca -0.13 1.96 -0.10 0.00 0.43 0.00 0.00 52.55 54.71 2k0f s ASP 125 Cb 0.07 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 125 CO 0.80 -0.55 -0.21 -0.38 -0.17 0.00 0.00 175.17 174.66 2k0f n ILE 126 N -0.38 1.30 -0.22 4.11 5.41 -1.26 -4.80 119.36 123.52 2k0f n ILE 126 Ca 0.06 0.15 -0.03 0.00 1.00 0.00 0.00 62.75 63.93 2k0f n ILE 126 Cb 0.51 -1.99 0.07 0.00 -0.71 0.00 0.00 39.64 37.53 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 -0.61 0.58 0.00 4.38 3.04 -1.96 -3.47 116.42 118.39 2k0f h ASP 127 Ca -0.09 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k0f h ASP 127 Cb 0.76 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 2k0f h ASP 127 CO -0.05 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.15 2k0f n GLY 128 N -1.27 0.98 0.16 7.15 0.00 -1.26 -5.02 105.19 105.91 2k0f n GLY 128 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 3.04 -1.98 -3.48 116.42 115.62 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.49 0.00 0.61 -2.04 0.00 0.00 179.24 178.30 2k0f n GLY 130 N 0.73 0.94 3.00 7.15 0.00 -1.26 -5.06 105.19 110.67 2k0f n GLY 130 Ca 0.01 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.71 2.14 -0.31 1.61 1.11 -1.26 -4.52 119.66 117.73 2k0f s GLN 131 Ca 0.00 -0.57 -0.27 0.00 0.01 0.00 0.00 55.36 54.53 2k0f s GLN 131 Cb 0.00 -2.09 0.01 0.00 -1.01 0.00 0.00 33.01 29.92 2k0f s GLN 131 CO 0.00 -0.28 0.98 0.08 0.01 0.00 0.00 175.29 176.08 2k0f s VAL 132 N 1.50 4.62 0.87 1.09 1.01 -0.58 -4.83 120.40 124.09 2k0f s VAL 132 Ca 0.04 1.58 -0.09 0.00 0.00 0.00 0.00 61.98 63.51 2k0f s VAL 132 Cb -0.13 -4.32 0.18 0.00 0.00 0.00 0.00 36.38 32.11 2k0f s VAL 132 CO -0.10 -0.38 1.19 0.54 0.00 0.00 0.00 175.10 176.35 2k0f s ASN 133 N 1.60 3.53 0.17 3.32 2.20 -1.26 -0.69 114.94 123.81 2k0f s ASN 133 Ca 0.41 -0.13 -0.09 0.00 -0.94 0.00 0.00 52.86 52.10 2k0f s ASN 133 Cb -0.13 0.01 0.03 0.00 -2.00 0.00 0.00 41.25 39.16 2k0f s ASN 133 CO 0.13 -2.43 1.57 0.22 -2.94 0.00 0.00 177.10 173.65 2k0f h TYR 134 N -1.19 1.14 -0.13 1.54 3.20 -1.95 -2.42 116.97 117.17 2k0f h TYR 134 Ca -0.40 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.20 2k0f h TYR 134 Cb 1.24 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2k0f h TYR 134 CO -0.85 1.09 0.00 0.93 -1.64 0.00 0.00 178.16 177.69 2k0f h GLU 135 N 0.88 0.18 0.00 1.82 5.08 -1.95 -2.13 114.58 118.46 2k0f h GLU 135 Ca 0.12 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 135 Cb 0.75 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2k0f h GLU 135 CO 0.06 0.20 -0.54 0.93 -1.00 0.00 0.00 179.01 178.66 2k0f h GLU 136 N 0.18 0.00 0.15 2.33 5.08 -1.78 -1.75 114.58 118.80 2k0f h GLU 136 Ca 0.05 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 136 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 136 CO 0.00 0.54 -0.95 0.35 -1.00 0.00 0.00 179.01 177.95 2k0f h PHE 137 N 0.00 0.67 -0.15 4.33 3.57 -1.28 -0.60 116.94 123.49 2k0f h PHE 137 Ca -0.01 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2k0f h PHE 137 Cb 1.27 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2k0f h PHE 137 CO 0.00 1.36 0.07 0.28 -2.23 0.00 0.00 178.31 177.78 2k0f h VAL 138 N -0.20 1.13 -0.36 1.41 2.07 -1.28 -3.27 116.25 115.75 2k0f h VAL 138 Ca -0.16 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.84 2k0f h VAL 138 Cb 1.73 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 2k0f h VAL 138 CO 0.18 0.12 -0.35 -0.61 0.02 0.00 0.00 177.57 176.92 2k0f h GLN 139 N 0.11 0.83 -0.84 1.57 4.15 -1.19 -2.18 115.11 117.57 2k0f h GLN 139 Ca 0.05 -0.41 0.14 0.00 0.77 0.00 0.00 58.65 59.20 2k0f h GLN 139 Cb 0.13 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.67 2k0f h GLN 139 CO -0.01 1.05 -0.35 1.98 -1.93 0.00 0.00 178.83 179.57 2k0f h MET 140 N 0.69 -0.06 -0.11 1.69 4.05 -1.21 -3.26 114.93 116.72 2k0f h MET 140 Ca 0.06 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2k0f h MET 140 Cb 0.91 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.73 2k0f h MET 140 CO 0.08 -0.04 -0.08 0.52 0.23 0.00 0.00 176.91 177.62 2k0f h MET 141 N -0.06 0.25 0.00 0.39 2.86 -1.46 -3.52 114.93 113.39 2k0f h MET 141 Ca 0.31 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 141 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k0f h MET 141 CO -0.87 0.64 0.00 0.25 1.06 0.00 0.00 176.91 177.99