#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 0.78 0.00 -0.78 4.81 -2.04 -1.50 114.58 115.85 2k0f h GLU 2 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 2 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2k0f h GLU 2 CO 0.00 0.78 0.00 1.05 -0.73 0.00 0.00 179.01 180.11 2k0f h GLU 3 N 0.74 0.00 0.00 1.92 -0.00 -2.05 -1.37 114.58 113.83 2k0f h GLU 3 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.45 2k0f h GLU 3 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 2k0f h GLU 3 CO 0.02 0.00 -0.48 0.37 -0.00 0.00 0.00 179.01 178.92 2k0f h GLN 4 N 0.00 0.00 -0.98 1.06 4.15 -1.82 -3.23 115.11 114.29 2k0f h GLN 4 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 2k0f h GLN 4 Cb 0.88 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.41 2k0f h GLN 4 CO 0.00 0.44 -0.37 -0.89 -1.93 0.00 0.00 178.83 176.07 2k0f n ILE 5 N -4.61 -0.51 0.20 2.39 2.08 -0.63 -0.56 119.36 117.71 2k0f n ILE 5 Ca -0.12 2.30 0.04 0.00 0.56 0.00 0.00 62.75 65.53 2k0f n ILE 5 Cb 0.34 -3.05 0.47 0.00 -0.75 0.00 0.00 39.64 36.65 2k0f n ILE 5 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k0f h ALA 6 N 1.40 1.64 -0.06 -1.39 0.00 -1.44 -3.16 119.26 116.23 2k0f h ALA 6 Ca 0.35 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 6 Cb 0.60 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k0f h ALA 6 CO -0.98 0.27 -0.92 1.49 0.00 0.00 0.00 179.25 179.11 2k0f h GLU 7 N 0.05 0.72 -0.56 0.00 4.81 -0.85 -2.80 114.58 115.95 2k0f h GLU 7 Ca 0.01 -0.68 0.06 0.00 -0.13 0.00 0.00 59.36 58.62 2k0f h GLU 7 Cb 0.35 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 7 CO 0.02 1.28 0.38 0.74 -0.73 0.00 0.00 179.01 180.70 2k0f h PHE 8 N 0.44 0.52 -0.47 0.92 0.04 -1.53 -3.06 116.94 113.80 2k0f h PHE 8 Ca -0.09 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 2k0f h PHE 8 Cb 1.56 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.52 2k0f h PHE 8 CO 0.09 0.28 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.81 2k0f h LYS 9 N 0.52 0.82 -0.87 1.51 3.64 -1.47 0.55 116.57 121.27 2k0f h LYS 9 Ca 0.24 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2k0f h LYS 9 Cb 0.30 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2k0f h LYS 9 CO -0.07 0.85 0.57 0.93 -2.27 0.00 0.00 179.45 179.46 2k0f h GLU 10 N 0.75 0.99 0.15 1.90 4.39 -1.41 -1.12 114.58 120.23 2k0f h GLU 10 Ca 0.14 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.49 2k0f h GLU 10 Cb 0.53 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k0f h GLU 10 CO 0.03 0.65 -1.32 0.00 -1.16 0.00 0.00 179.01 177.21 2k0f h ALA 11 N 1.52 0.07 -0.68 3.43 0.00 -1.39 -3.13 119.26 119.08 2k0f h ALA 11 Ca 0.36 -0.91 0.13 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 11 Cb 0.14 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 11 CO -0.12 0.95 0.46 0.35 0.00 0.00 0.00 179.25 180.88 2k0f h PHE 12 N 0.09 0.45 0.00 0.00 3.57 -0.66 -2.28 116.94 118.10 2k0f h PHE 12 Ca -0.17 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 12 Cb 2.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 2k0f h PHE 12 CO 0.08 0.19 -0.20 0.77 -2.23 0.00 0.00 178.31 176.91 2k0f h SER 13 N 0.40 0.00 0.40 0.41 0.02 -1.16 -3.17 113.55 110.46 2k0f h SER 13 Ca 0.32 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 2k0f h SER 13 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2k0f h SER 13 CO -0.10 0.20 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.41 2k0f h LEU 14 N 0.00 0.00 0.00 5.07 3.38 -1.41 -3.16 115.31 119.19 2k0f h LEU 14 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 14 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k0f h LEU 14 CO 0.03 0.32 -1.26 0.49 0.09 0.00 0.00 178.44 178.10 2k0f n PHE 15 N -4.00 0.35 -3.02 1.13 3.72 -1.20 -4.76 117.46 109.68 2k0f n PHE 15 Ca -0.02 0.10 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 2k0f n PHE 15 Cb 0.38 -0.56 -0.06 0.00 -0.94 0.00 0.00 39.48 38.30 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 -4.36 6.85 -0.03 4.37 -1.08 -1.20 -4.62 116.67 116.59 2k0f s ASP 16 Ca 0.00 1.44 -0.22 0.00 -0.52 0.00 0.00 52.55 53.25 2k0f s ASP 16 Cb 0.13 -2.44 -0.28 0.00 -1.46 0.00 0.00 42.92 38.88 2k0f s ASP 16 CO 0.83 -0.25 0.97 0.50 0.52 0.00 0.00 175.17 177.73 2k0f h LYS 17 N 2.17 0.31 0.00 4.34 3.64 -1.87 -3.40 116.57 121.76 2k0f h LYS 17 Ca -0.48 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 58.36 2k0f h LYS 17 Cb 1.18 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 2k0f h LYS 17 CO 0.64 1.16 -1.13 -0.25 -2.27 0.00 0.00 179.45 177.60 2k0f n ASP 18 N -4.21 1.89 0.00 4.20 8.00 -1.26 -5.05 116.55 120.12 2k0f n ASP 18 Ca -0.12 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2k0f n ASP 18 Cb 0.73 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 1.47 1.90 0.00 0.44 0.00 -1.26 -5.11 105.19 102.64 2k0f n GLY 19 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.00 0.00 1.61 5.68 -1.26 -5.00 116.55 117.58 2k0f n ASP 20 Ca 0.00 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 2k0f n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 0.28 0.73 3.15 6.12 0.00 -1.26 -5.14 105.19 109.07 2k0f n GLY 21 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.00 -0.17 2.61 -4.23 -1.26 -4.33 115.64 108.26 2k0f s THR 22 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 2k0f s THR 22 Cb 0.00 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 2k0f s THR 22 CO 0.00 0.00 0.32 -0.63 -0.54 0.00 0.00 174.62 173.77 2k0f s ILE 23 N 0.14 5.28 0.26 2.99 1.01 -0.22 -4.95 121.20 125.72 2k0f s ILE 23 Ca -0.00 0.59 0.06 0.00 0.00 0.00 0.00 60.65 61.29 2k0f s ILE 23 Cb -0.02 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2k0f s ILE 23 CO 0.00 0.35 0.35 0.42 0.00 0.00 0.00 174.94 176.07 2k0f s THR 24 N 0.72 4.89 0.28 2.92 -4.23 -1.26 -2.16 115.64 116.79 2k0f s THR 24 Ca 0.17 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2k0f s THR 24 Cb -0.13 -3.70 0.42 0.00 1.34 0.00 0.00 72.50 70.43 2k0f s THR 24 CO 0.05 -0.30 1.48 0.35 -0.54 0.00 0.00 174.62 175.67 2k0f n THR 25 N -1.42 -0.40 0.07 3.99 -2.24 -1.26 -1.63 114.28 111.40 2k0f n THR 25 Ca -0.07 2.14 -0.13 0.00 -2.27 0.00 0.00 64.05 63.72 2k0f n THR 25 Cb 0.57 -3.03 -0.05 0.00 -2.10 0.00 0.00 70.33 65.73 2k0f n THR 25 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2k0f h LYS 26 N 0.00 0.37 -0.80 -0.78 2.10 -1.97 -1.37 116.57 114.12 2k0f h LYS 26 Ca 0.50 -0.42 0.03 0.00 -2.00 0.00 0.00 60.65 58.76 2k0f h LYS 26 Cb 0.88 0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 32.29 2k0f h LYS 26 CO -0.95 1.10 0.51 0.93 -2.00 0.00 0.00 179.45 179.05 2k0f h GLU 27 N 0.20 0.98 0.00 0.07 5.08 -1.85 -2.28 114.58 116.77 2k0f h GLU 27 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 27 Cb 1.61 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2k0f h GLU 27 CO 0.16 0.65 -0.30 1.25 -1.00 0.00 0.00 179.01 179.77 2k0f h LEU 28 N 1.00 0.00 -0.46 1.33 5.85 -1.06 -2.19 115.31 119.78 2k0f h LEU 28 Ca 0.32 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 28 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2k0f h LEU 28 CO -0.11 0.02 0.16 1.23 -0.34 0.00 0.00 178.44 179.40 2k0f h GLY 29 N 4.27 0.76 0.18 3.75 0.00 -1.04 -1.33 103.07 109.66 2k0f h GLY 29 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 47.33 47.01 2k0f h GLY 29 CO 0.00 0.41 0.14 -0.84 0.00 0.00 0.00 176.54 176.25 2k0f h THR 30 N 0.61 0.64 -0.05 4.70 2.02 -0.81 -1.31 112.91 118.71 2k0f h THR 30 Ca 0.15 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 30 Cb 0.24 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2k0f h THR 30 CO -0.01 0.05 0.01 0.58 0.37 0.00 0.00 175.52 176.52 2k0f h VAL 31 N 0.28 0.98 -0.55 3.16 2.07 -1.44 -1.14 116.25 119.61 2k0f h VAL 31 Ca 0.33 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.93 2k0f h VAL 31 Cb 0.49 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 2k0f h VAL 31 CO -0.41 0.01 0.13 0.24 0.02 0.00 0.00 177.57 177.56 2k0f h MET 32 N 0.04 0.26 0.04 1.57 2.86 -0.94 -2.79 114.93 115.96 2k0f h MET 32 Ca 0.02 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 32 Cb 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2k0f h MET 32 CO -0.02 0.17 -1.03 0.00 1.06 0.00 0.00 176.91 177.08 2k0f h ARG 33 N 0.26 0.14 -0.28 1.72 2.47 -0.82 0.74 114.38 118.61 2k0f h ARG 33 Ca 0.28 -0.20 0.07 0.00 -1.26 0.00 0.00 59.98 58.87 2k0f h ARG 33 Cb 0.39 0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.71 2k0f h ARG 33 CO -0.36 1.05 -0.20 0.77 0.56 0.00 0.00 179.97 181.79 2k0f h SER 34 N 0.05 -0.66 0.51 7.04 0.02 -1.20 -3.26 113.55 116.05 2k0f h SER 34 Ca -0.06 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2k0f h SER 34 Cb 1.74 0.33 0.01 0.00 0.14 0.00 0.00 62.40 64.62 2k0f h SER 34 CO 0.15 -0.24 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.29 2k0f h LEU 35 N -0.18 -0.59 0.00 5.07 3.38 -1.45 -3.49 115.31 118.05 2k0f h LEU 35 Ca 0.15 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k0f h LEU 35 Cb 0.41 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 35 CO -0.39 -0.36 0.00 0.61 0.09 0.00 0.00 178.44 178.39 2k0f n GLY 36 N -0.78 -0.69 3.50 0.83 0.00 0.06 -5.07 105.19 103.04 2k0f n GLY 36 Ca -0.09 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.63 -0.54 1.61 2.00 -0.08 -4.97 119.66 118.32 2k0f s GLN 37 Ca 0.00 0.96 -0.01 0.00 -2.00 0.00 0.00 55.36 54.32 2k0f s GLN 37 Cb 0.00 0.19 0.14 0.00 0.80 0.00 0.00 33.01 34.14 2k0f s GLN 37 CO 0.00 -0.12 0.32 1.21 -0.50 0.00 0.00 175.29 176.20 2k0f s ASN 38 N 1.03 5.02 0.75 6.67 2.47 -1.26 -3.13 114.94 126.49 2k0f s ASN 38 Ca -0.06 -2.66 -0.08 0.00 0.42 0.00 0.00 52.86 50.48 2k0f s ASN 38 Cb -0.05 -1.79 0.08 0.00 -1.45 0.00 0.00 41.25 38.04 2k0f s ASN 38 CO -0.10 -0.38 1.07 -2.16 -3.72 0.00 0.00 177.10 171.82 2k0f s PRO 39 N 0.22 1.95 0.59 0.43 0.04 -1.26 -5.08 135.00 131.88 2k0f s PRO 39 Ca 0.15 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 60.92 2k0f s PRO 39 Cb -0.22 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.26 2k0f s PRO 39 CO -0.03 -1.44 0.82 0.95 0.04 0.00 0.00 177.00 177.33 2k0f s THR 40 N -3.36 2.54 0.20 1.26 -4.23 -1.26 -4.90 115.64 105.89 2k0f s THR 40 Ca 0.62 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2k0f s THR 40 Cb -0.10 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 2k0f s THR 40 CO 0.46 0.00 1.54 1.05 -0.54 0.00 0.00 174.62 177.13 2k0f h GLU 41 N -0.04 0.54 -0.79 3.99 9.09 -1.98 -0.28 114.58 125.10 2k0f h GLU 41 Ca -0.40 -0.32 -0.01 0.00 0.05 0.00 0.00 59.36 58.67 2k0f h GLU 41 Cb 1.29 0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 28.38 2k0f h GLU 41 CO 0.49 0.92 0.44 0.00 0.05 0.00 0.00 179.01 180.91 2k0f h ALA 42 N 1.02 1.02 -0.48 1.06 0.00 -1.99 -2.20 119.26 117.69 2k0f h ALA 42 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 42 Cb 1.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k0f h ALA 42 CO 0.10 0.52 0.14 1.49 0.00 0.00 0.00 179.25 181.50 2k0f h GLU 43 N 1.10 0.76 -0.60 0.00 4.81 -1.92 -2.33 114.58 116.40 2k0f h GLU 43 Ca 0.28 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2k0f h GLU 43 Cb 0.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2k0f h GLU 43 CO -0.05 0.73 0.40 -0.07 -0.73 0.00 0.00 179.01 179.29 2k0f h LEU 44 N 0.65 0.50 -0.44 1.64 3.38 -0.95 -2.21 115.31 117.87 2k0f h LEU 44 Ca 0.15 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 44 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k0f h LEU 44 CO -0.00 0.32 -0.70 -0.61 0.09 0.00 0.00 178.44 177.54 2k0f h GLN 45 N 0.57 0.39 -0.42 1.13 4.15 -1.27 0.11 115.11 119.77 2k0f h GLN 45 Ca 0.26 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 2k0f h GLN 45 Cb 0.30 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2k0f h GLN 45 CO -0.08 0.94 -0.09 0.22 -1.93 0.00 0.00 178.83 177.89 2k0f h ASP 46 N 0.27 0.81 -0.60 -0.69 3.58 -0.93 0.20 116.42 119.06 2k0f h ASP 46 Ca -0.02 -0.36 0.12 0.00 0.42 0.00 0.00 57.03 57.19 2k0f h ASP 46 Cb 1.27 -0.22 -0.11 0.00 1.72 0.00 0.00 39.33 41.99 2k0f h ASP 46 CO 0.12 0.98 -0.06 -0.03 -2.88 0.00 0.00 179.24 177.37 2k0f h MET 47 N 0.63 0.06 0.20 0.28 4.05 -1.28 -3.00 114.93 115.87 2k0f h MET 47 Ca 0.11 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2k0f h MET 47 Cb 0.62 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2k0f h MET 47 CO 0.04 0.04 -0.10 0.82 0.23 0.00 0.00 176.91 177.94 2k0f h ILE 48 N 0.06 0.83 -0.63 1.77 1.08 -0.74 -3.34 117.51 116.54 2k0f h ILE 48 Ca 0.30 -0.95 0.15 0.00 -0.39 0.00 0.00 64.86 63.97 2k0f h ILE 48 Cb 0.48 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.53 2k0f h ILE 48 CO -0.56 0.19 0.44 -1.13 -0.69 0.00 0.00 178.15 176.40 2k0f h ASN 49 N -0.80 0.19 0.87 1.72 -1.24 -0.94 -2.51 115.58 112.87 2k0f h ASN 49 Ca -0.03 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 2k0f h ASN 49 Cb 0.52 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.55 2k0f h ASN 49 CO 0.04 0.10 -0.42 -0.08 -1.29 0.00 0.00 177.43 175.79 2k0f h GLU 50 N 0.20 -1.13 0.00 6.67 4.57 -1.65 -3.25 114.58 119.99 2k0f h GLU 50 Ca 0.31 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 2k0f h GLU 50 Cb 0.92 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2k0f h GLU 50 CO -0.06 -0.75 0.00 1.33 -1.18 0.00 0.00 179.01 178.35 2k0f n VAL 51 N -5.22 0.95 -2.24 0.32 0.24 -1.13 -4.86 118.33 106.40 2k0f n VAL 51 Ca -0.15 0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 62.18 2k0f n VAL 51 Cb 0.46 -1.37 -0.02 0.00 -1.47 0.00 0.00 33.84 31.44 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 -4.07 6.74 0.00 -1.34 2.15 -0.96 -4.81 116.67 114.38 2k0f s ASP 52 Ca 0.02 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.48 2k0f s ASP 52 Cb 0.08 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 52 CO 0.30 -0.53 0.00 0.00 -0.17 0.00 0.00 175.17 174.77 2k0f n ALA 53 N 0.57 2.30 -1.00 3.66 0.00 -1.26 -4.97 120.51 119.82 2k0f n ALA 53 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k0f n ALA 53 Cb 0.44 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.36 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -2.60 0.00 0.00 0.00 5.68 -1.26 -5.00 116.55 113.37 2k0f n ASP 54 Ca 0.00 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 2k0f n ASP 54 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.16 0.00 0.05 6.12 0.00 -1.26 -5.06 105.19 104.89 2k0f n GLY 55 Ca 0.00 0.00 0.11 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 0.64 -0.35 1.61 6.94 -1.26 -4.99 115.26 117.86 2k0f n ASN 56 Ca 0.00 -0.02 -0.04 0.00 -0.02 0.00 0.00 54.58 54.50 2k0f n ASN 56 Cb 0.00 0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 38.03 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 1.32 0.68 3.32 4.83 0.00 -1.26 -5.06 105.19 109.02 2k0f n GLY 57 Ca 0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.17 1.65 -0.21 2.61 -4.23 -1.26 -4.79 115.64 107.23 2k0f s THR 58 Ca 0.00 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.14 2k0f s THR 58 Cb 0.00 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 2k0f s THR 58 CO 0.00 -0.57 0.84 -0.51 -0.54 0.00 0.00 174.62 173.84 2k0f s ILE 59 N -2.84 4.85 0.42 2.99 2.07 -0.92 -4.83 121.20 122.94 2k0f s ILE 59 Ca 0.20 1.62 0.01 0.00 -1.41 0.00 0.00 60.65 61.07 2k0f s ILE 59 Cb -0.01 -4.13 -0.01 0.00 0.13 0.00 0.00 42.46 38.44 2k0f s ILE 59 CO 0.06 -0.03 0.62 -1.81 -1.91 0.00 0.00 174.94 171.87 2k0f s ASP 60 N 1.25 5.90 0.15 4.50 1.11 -1.26 -1.06 116.67 127.26 2k0f s ASP 60 Ca 0.37 0.23 -0.14 0.00 0.18 0.00 0.00 52.55 53.19 2k0f s ASP 60 Cb -0.16 -1.54 0.02 0.00 1.07 0.00 0.00 42.92 42.32 2k0f s ASP 60 CO 0.09 -0.61 1.65 0.15 1.18 0.00 0.00 175.17 177.63 2k0f h PHE 61 N 0.52 0.81 0.00 4.23 3.57 -1.98 -0.88 116.94 123.21 2k0f h PHE 61 Ca -0.46 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 60.91 2k0f h PHE 61 Cb 1.25 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 61 CO 0.45 0.73 -0.14 -1.35 -2.23 0.00 0.00 178.31 175.78 2k0f h PRO 62 N 0.66 0.00 0.28 6.41 0.11 -1.97 -0.54 132.00 136.96 2k0f h PRO 62 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2k0f h PRO 62 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2k0f h PRO 62 CO 0.00 0.14 -0.14 0.93 -0.21 0.00 0.00 178.00 178.73 2k0f h GLU 63 N 0.00 -0.37 -0.89 1.05 5.08 -1.83 -1.81 114.58 115.82 2k0f h GLU 63 Ca -0.00 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 63 Cb 0.33 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 63 CO 0.02 -0.16 -0.28 0.34 -1.00 0.00 0.00 179.01 177.94 2k0f n PHE 64 N -5.03 0.19 -0.13 4.33 7.35 -0.37 -0.54 117.46 123.27 2k0f n PHE 64 Ca -0.06 1.08 -0.05 0.00 -0.76 0.00 0.00 57.45 57.67 2k0f n PHE 64 Cb 0.19 -0.93 0.04 0.00 0.35 0.00 0.00 39.48 39.12 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2k0f h LEU 65 N 0.00 0.07 0.02 -2.13 3.38 -1.05 -2.55 115.31 113.05 2k0f h LEU 65 Ca 0.37 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2k0f h LEU 65 Cb 0.60 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k0f h LEU 65 CO -0.90 0.07 -0.01 0.74 0.09 0.00 0.00 178.44 178.44 2k0f h THR 66 N 0.25 1.06 0.00 0.22 2.02 -0.53 -2.94 112.91 112.99 2k0f h THR 66 Ca 0.20 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2k0f h THR 66 Cb 0.22 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2k0f h THR 66 CO -0.24 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.71 2k0f h MET 67 N -0.13 0.00 0.00 6.66 -0.00 -0.73 -0.02 114.93 120.72 2k0f h MET 67 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.50 2k0f h MET 67 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.69 2k0f h MET 67 CO 0.00 0.00 -0.96 0.52 -0.00 0.00 0.00 176.91 176.48 2k0f h MET 68 N 0.00 0.01 0.00 -0.10 2.86 -1.45 -3.35 114.93 112.89 2k0f h MET 68 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 68 Cb 0.65 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k0f h MET 68 CO 0.00 0.96 -0.75 0.00 1.06 0.00 0.00 176.91 178.18 2k0f n ALA 69 N -2.37 4.04 -1.79 6.32 0.00 -0.67 -4.79 120.51 121.26 2k0f n ALA 69 Ca -0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 2k0f n ALA 69 Cb 0.90 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.02 4.16 -0.08 0.00 6.06 -0.11 -5.02 118.95 120.94 2k0f s ARG 70 Ca 0.09 2.48 0.02 0.00 -2.50 0.00 0.00 55.73 55.83 2k0f s ARG 70 Cb 0.17 -3.90 0.01 0.00 0.06 0.00 0.00 34.95 31.29 2k0f s ARG 70 CO 0.78 -0.87 -0.14 0.15 -2.50 0.00 0.00 175.30 172.72 2k0f s LYS 71 N 3.67 1.95 0.00 5.12 1.02 -1.26 -5.01 119.74 125.22 2k0f s LYS 71 Ca 0.81 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.31 2k0f s LYS 71 Cb -0.41 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 2k0f s LYS 71 CO 0.37 0.03 0.00 -0.12 -0.92 0.00 0.00 175.35 174.71 2k0f n MET 72 N 3.85 0.00 -0.07 1.68 1.56 -1.26 -5.08 117.12 117.80 2k0f n MET 72 Ca -0.22 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.14 2k0f n MET 72 Cb 0.52 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.85 2k0f n MET 72 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2k0f h LYS 73 N 0.00 0.00 -6.93 2.12 3.64 -2.07 -3.49 116.57 109.84 2k0f h LYS 73 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2k0f h LYS 73 Cb 0.00 0.00 0.13 0.00 -0.41 0.00 0.00 32.23 31.95 2k0f h LYS 73 CO 0.00 0.20 0.58 -0.25 -2.27 0.00 0.00 179.45 177.71 2k0f n ASP 74 N -4.61 2.80 -4.55 4.20 8.00 -1.26 -4.92 116.55 116.21 2k0f n ASP 74 Ca -0.10 1.08 -0.43 0.00 0.71 0.00 0.00 54.79 56.05 2k0f n ASP 74 Cb 0.30 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.12 39.81 2k0f n ASP 74 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k0f s THR 75 N -1.23 4.32 0.24 -3.53 2.01 -1.26 -4.91 115.64 111.28 2k0f s THR 75 Ca 0.64 0.58 -0.08 0.00 0.31 0.00 0.00 61.69 63.13 2k0f s THR 75 Cb -0.46 -4.56 0.28 0.00 0.01 0.00 0.00 72.50 67.77 2k0f s THR 75 CO 0.56 -1.09 1.63 0.44 -0.69 0.00 0.00 174.62 175.46 2k0f h ASP 76 N 9.31 -0.44 -0.44 3.53 3.32 -1.99 -0.35 116.42 129.37 2k0f h ASP 76 Ca -0.25 0.20 0.13 0.00 0.02 0.00 0.00 57.03 57.13 2k0f h ASP 76 Cb 1.07 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 40.97 2k0f h ASP 76 CO 1.10 -0.20 0.37 0.28 -1.72 0.00 0.00 179.24 179.07 2k0f h SER 77 N 0.07 0.00 0.00 6.45 0.02 -2.00 -3.30 113.55 114.79 2k0f h SER 77 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2k0f h SER 77 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2k0f h SER 77 CO -0.69 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.38 2k0f n GLU 78 N -4.11 0.00 0.13 3.45 -0.58 -0.28 -4.61 120.64 114.64 2k0f n GLU 78 Ca 0.08 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 2k0f n GLU 78 Cb 0.57 -0.04 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 2k0f n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k0f h GLU 79 N 0.00 -0.54 -0.59 3.49 4.39 -1.37 -1.38 114.58 118.59 2k0f h GLU 79 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k0f h GLU 79 Cb 0.00 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2k0f h GLU 79 CO 0.00 -0.36 0.37 1.49 -1.16 0.00 0.00 179.01 179.35 2k0f h GLU 80 N -0.56 0.78 -0.20 2.33 4.81 -1.76 0.17 114.58 120.16 2k0f h GLU 80 Ca -0.02 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 80 Cb 0.52 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2k0f h GLU 80 CO -0.11 0.54 -0.38 0.82 -0.73 0.00 0.00 179.01 179.15 2k0f h ILE 81 N 0.79 1.33 0.27 2.32 2.04 -1.64 -0.43 117.51 122.19 2k0f h ILE 81 Ca 0.21 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.47 2k0f h ILE 81 Cb -0.06 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2k0f h ILE 81 CO -0.04 0.50 -0.27 -0.09 0.00 0.00 0.00 178.15 178.24 2k0f h ARG 82 N 0.28 -0.55 0.00 2.37 2.43 -0.89 -1.38 114.38 116.64 2k0f h ARG 82 Ca 0.01 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 82 Cb 0.97 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2k0f h ARG 82 CO 0.08 -0.37 -0.04 0.93 -1.51 0.00 0.00 179.97 179.06 2k0f h GLU 83 N -0.57 0.00 -0.27 0.20 4.39 -0.60 -2.43 114.58 115.30 2k0f h GLU 83 Ca -0.01 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 83 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2k0f h GLU 83 CO -0.06 0.04 -0.47 0.00 -1.16 0.00 0.00 179.01 177.36 2k0f h ALA 84 N 1.96 0.67 -0.54 3.43 0.00 -0.86 -3.26 119.26 120.66 2k0f h ALA 84 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 84 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k0f h ALA 84 CO 0.01 0.67 0.03 0.35 0.00 0.00 0.00 179.25 180.31 2k0f h PHE 85 N 0.56 0.95 -0.78 0.00 3.57 -0.77 -3.19 116.94 117.27 2k0f h PHE 85 Ca 0.03 -0.13 0.15 0.00 3.53 0.00 0.00 57.97 61.55 2k0f h PHE 85 Cb 1.03 -0.26 -0.15 0.00 2.79 0.00 0.00 35.95 39.36 2k0f h PHE 85 CO 0.05 0.85 -0.21 -0.09 -2.23 0.00 0.00 178.31 176.67 2k0f h ARG 86 N 0.83 -0.01 -0.00 1.11 2.43 -1.54 0.82 114.38 118.02 2k0f h ARG 86 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2k0f h ARG 86 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 86 CO 0.02 -0.01 -0.33 1.33 -1.51 0.00 0.00 179.97 179.48 2k0f n VAL 87 N -5.51 0.00 -0.08 0.20 0.24 -1.21 -4.32 118.33 107.65 2k0f n VAL 87 Ca 0.11 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.34 62.26 2k0f n VAL 87 Cb 0.40 0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.87 2k0f n VAL 87 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2k0f h PHE 88 N 0.42 0.00 -3.33 6.34 3.04 -0.93 -3.45 116.94 119.03 2k0f h PHE 88 Ca 0.00 0.00 -0.57 0.00 3.98 0.00 0.00 57.97 61.38 2k0f h PHE 88 Cb 0.48 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.93 2k0f h PHE 88 CO 0.00 0.61 0.32 0.34 -2.02 0.00 0.00 178.31 177.56 2k0f s ASP 89 N -6.13 7.03 0.15 0.41 -1.08 -0.64 -4.59 116.67 111.81 2k0f s ASP 89 Ca -0.17 1.26 -0.14 0.00 -0.52 0.00 0.00 52.55 52.97 2k0f s ASP 89 Cb 0.02 -2.46 0.03 0.00 -1.46 0.00 0.00 42.92 39.05 2k0f s ASP 89 CO 0.36 -0.32 1.69 0.50 0.52 0.00 0.00 175.17 177.93 2k0f h LYS 90 N 7.12 0.72 0.13 4.34 1.63 -1.86 -3.19 116.57 125.46 2k0f h LYS 90 Ca -0.34 -0.14 -0.35 0.00 -0.85 0.00 0.00 60.65 58.98 2k0f h LYS 90 Cb 1.16 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2k0f h LYS 90 CO 0.81 0.66 -1.85 -0.44 -3.45 0.00 0.00 179.45 175.18 2k0f h ASP 91 N 0.64 0.44 -0.54 4.20 3.32 -1.93 -3.49 116.42 119.06 2k0f h ASP 91 Ca 0.16 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.39 2k0f h ASP 91 Cb 0.21 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2k0f h ASP 91 CO -0.01 1.72 0.00 0.61 -1.72 0.00 0.00 179.24 179.84 2k0f n GLY 92 N 1.88 0.94 0.00 2.75 0.00 -1.21 -5.12 105.19 104.44 2k0f n GLY 92 Ca -0.27 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.67 0.00 0.00 1.61 0.23 -1.26 -5.10 115.26 111.41 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2k0f n ASN 93 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 5.00 0.00 3.67 4.83 0.00 -1.26 -4.93 105.19 112.50 2k0f n GLY 94 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.83 3.25 -0.30 1.61 2.02 -1.26 -3.04 117.35 117.80 2k0f s TYR 95 Ca 0.00 1.37 -0.23 0.00 -0.37 0.00 0.00 57.07 57.84 2k0f s TYR 95 Cb 0.00 -3.32 -0.00 0.00 -0.40 0.00 0.00 41.96 38.24 2k0f s TYR 95 CO 0.00 -0.77 0.78 0.42 -1.57 0.00 0.00 175.55 174.41 2k0f s ILE 96 N 3.01 4.81 0.48 2.71 1.01 0.13 -4.91 121.20 128.42 2k0f s ILE 96 Ca 0.48 1.18 0.08 0.00 0.00 0.00 0.00 60.65 62.39 2k0f s ILE 96 Cb -0.18 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.19 2k0f s ILE 96 CO 0.11 -0.23 0.57 -0.94 0.00 0.00 0.00 174.94 174.45 2k0f s SER 97 N 1.61 5.25 0.32 3.58 1.04 -1.26 -2.77 113.70 121.46 2k0f s SER 97 Ca 0.32 -0.71 0.15 0.00 0.48 0.00 0.00 55.95 56.20 2k0f s SER 97 Cb -0.14 -0.25 0.44 0.00 0.10 0.00 0.00 66.02 66.17 2k0f s SER 97 CO 0.12 -0.94 1.62 0.00 0.98 0.00 0.00 173.24 175.02 2k0f h ALA 98 N 0.61 0.88 0.40 5.32 0.00 -1.97 -2.92 119.26 121.58 2k0f h ALA 98 Ca -0.37 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 2k0f h ALA 98 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.48 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 180.16 2k0f h ALA 99 N 1.50 -0.54 -0.83 0.00 0.00 -1.99 -2.11 119.26 115.30 2k0f h ALA 99 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 99 Cb 1.09 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 99 CO 0.06 -0.77 0.41 0.93 0.00 0.00 0.00 179.25 179.88 2k0f h GLU 100 N -0.59 1.18 -0.34 0.00 5.08 -1.88 0.26 114.58 118.30 2k0f h GLU 100 Ca -0.05 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2k0f h GLU 100 Cb 0.44 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 100 CO 0.09 0.90 0.03 1.25 -1.00 0.00 0.00 179.01 180.28 2k0f h LEU 101 N 1.18 0.56 -0.61 1.33 5.85 -1.46 -0.23 115.31 121.93 2k0f h LEU 101 Ca 0.29 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2k0f h LEU 101 Cb 0.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2k0f h LEU 101 CO -0.04 0.71 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.46 2k0f h ARG 102 N 0.40 0.00 0.67 1.25 2.43 -0.84 -1.50 114.38 116.79 2k0f h ARG 102 Ca 0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2k0f h ARG 102 Cb 0.41 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2k0f h ARG 102 CO 0.01 0.22 -0.32 1.25 -1.51 0.00 0.00 179.97 179.62 2k0f h HIS 103 N 0.00 -0.83 -0.10 2.20 2.76 -0.81 -2.54 115.15 115.83 2k0f h HIS 103 Ca -0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2k0f h HIS 103 Cb 0.94 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 2k0f h HIS 103 CO 0.00 -0.52 -0.09 -0.24 -1.30 0.00 0.00 177.93 175.78 2k0f h VAL 104 N -0.95 1.13 -0.12 5.26 3.04 -0.74 -1.56 116.25 122.30 2k0f h VAL 104 Ca -0.09 -0.55 -0.05 0.00 -1.01 0.00 0.00 66.70 65.00 2k0f h VAL 104 Cb 0.69 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2k0f h VAL 104 CO 0.15 0.17 -0.10 0.24 -1.01 0.00 0.00 177.57 177.02 2k0f h MET 105 N 0.15 0.28 -0.87 4.17 2.07 -1.37 -1.96 114.93 117.40 2k0f h MET 105 Ca 0.03 -0.14 0.09 0.00 -2.07 0.00 0.00 59.70 57.61 2k0f h MET 105 Cb 0.26 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 29.92 2k0f h MET 105 CO 0.01 0.67 0.52 1.15 1.07 0.00 0.00 176.91 180.34 2k0f h THR 106 N -0.10 0.96 -0.78 2.22 2.02 -1.28 0.04 112.91 115.99 2k0f h THR 106 Ca 0.02 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2k0f h THR 106 Cb 0.61 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2k0f h THR 106 CO 0.03 0.16 0.50 0.78 0.37 0.00 0.00 175.52 177.36 2k0f h ASN 107 N 0.90 0.92 0.33 4.18 2.35 -1.16 -3.29 115.58 119.81 2k0f h ASN 107 Ca 0.41 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.10 2k0f h ASN 107 Cb 0.31 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2k0f h ASN 107 CO -0.22 0.69 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.02 2k0f h LEU 108 N 1.07 -0.38 0.00 1.61 3.38 -1.05 -3.45 115.31 116.48 2k0f h LEU 108 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2k0f h LEU 108 Cb -0.08 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k0f h LEU 108 CO -0.06 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2k0f n GLY 109 N 0.47 0.00 3.27 0.83 0.00 -0.18 -4.82 105.19 104.77 2k0f n GLY 109 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.25 -0.49 1.61 2.56 -0.19 -4.98 118.70 120.46 2k0f s GLU 110 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 54.97 54.03 2k0f s GLU 110 Cb 0.00 -2.96 0.03 0.00 2.00 0.00 0.00 34.13 33.21 2k0f s GLU 110 CO 0.00 -0.23 0.91 0.15 -0.56 0.00 0.00 175.26 175.53 2k0f s LYS 111 N 1.44 3.43 0.09 4.30 1.02 -1.26 -3.59 119.74 125.17 2k0f s LYS 111 Ca 0.05 -0.05 0.08 0.00 0.02 0.00 0.00 55.97 56.07 2k0f s LYS 111 Cb -0.14 -3.98 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 2k0f s LYS 111 CO -0.05 -1.31 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.40 2k0f s LEU 112 N 3.76 2.76 0.59 3.17 1.43 -1.26 -5.13 118.68 124.01 2k0f s LEU 112 Ca 0.33 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2k0f s LEU 112 Cb -0.11 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.57 2k0f s LEU 112 CO 0.23 0.20 0.82 0.42 0.23 0.00 0.00 176.35 178.25 2k0f s THR 113 N -1.10 2.46 0.36 5.49 -4.23 -1.26 -4.95 115.64 112.41 2k0f s THR 113 Ca 0.18 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2k0f s THR 113 Cb -0.11 -2.73 0.14 0.00 1.34 0.00 0.00 72.50 71.14 2k0f s THR 113 CO 0.10 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.49 2k0f h ASP 114 N -0.04 0.31 -0.12 3.99 5.19 -2.01 -2.14 116.42 121.60 2k0f h ASP 114 Ca -0.38 -0.07 0.03 0.00 -0.62 0.00 0.00 57.03 55.99 2k0f h ASP 114 Cb 1.28 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 2k0f h ASP 114 CO 0.46 0.47 -0.09 -0.08 -3.12 0.00 0.00 179.24 176.88 2k0f h GLU 115 N 0.31 -0.10 -0.03 3.56 4.57 -1.98 -0.77 114.58 120.14 2k0f h GLU 115 Ca 0.06 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 2k0f h GLU 115 Cb 0.42 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2k0f h GLU 115 CO 0.02 -0.06 -0.69 0.93 -1.18 0.00 0.00 179.01 178.03 2k0f h GLU 116 N -0.10 0.16 -0.16 1.92 5.08 -1.82 0.28 114.58 119.94 2k0f h GLU 116 Ca 0.08 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 116 Cb 0.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 116 CO -0.18 0.78 0.09 0.28 -1.00 0.00 0.00 179.01 178.98 2k0f h VAL 117 N 0.11 1.02 -0.24 3.13 2.07 -1.37 -0.52 116.25 120.45 2k0f h VAL 117 Ca -0.02 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k0f h VAL 117 Cb 1.23 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2k0f h VAL 117 CO 0.10 0.03 0.09 -0.78 0.02 0.00 0.00 177.57 177.03 2k0f h ASP 118 N 0.19 0.10 -0.31 0.57 3.58 -0.91 -0.30 116.42 119.34 2k0f h ASP 118 Ca 0.06 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.55 2k0f h ASP 118 Cb -0.01 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2k0f h ASP 118 CO -0.03 0.09 0.18 -0.08 -2.88 0.00 0.00 179.24 176.52 2k0f h GLU 119 N 0.20 0.35 0.00 0.28 4.81 -0.21 -0.18 114.58 119.83 2k0f h GLU 119 Ca 0.10 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 119 Cb 0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 119 CO -0.10 0.23 -0.43 0.52 -0.73 0.00 0.00 179.01 178.50 2k0f h MET 120 N 0.36 0.00 -0.21 1.92 2.86 -1.04 -0.20 114.93 118.62 2k0f h MET 120 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k0f h MET 120 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2k0f h MET 120 CO -0.06 0.43 0.14 0.82 1.06 0.00 0.00 176.91 179.30 2k0f h ILE 121 N 0.00 1.05 -0.31 -1.22 1.08 -0.41 -1.71 117.51 116.00 2k0f h ILE 121 Ca -0.00 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.31 2k0f h ILE 121 Cb 1.02 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2k0f h ILE 121 CO 0.06 0.05 -0.05 0.03 -0.69 0.00 0.00 178.15 177.55 2k0f h ARG 122 N 0.28 0.49 -0.27 2.37 3.08 -0.78 -1.37 114.38 118.18 2k0f h ARG 122 Ca 0.08 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2k0f h ARG 122 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2k0f h ARG 122 CO -0.02 0.55 -0.12 1.49 -1.07 0.00 0.00 179.97 180.81 2k0f h GLU 123 N 0.46 0.56 0.00 0.04 4.81 -0.81 -3.29 114.58 116.35 2k0f h GLU 123 Ca 0.09 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 123 Cb 0.38 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2k0f h GLU 123 CO 0.02 0.80 -0.88 0.00 -0.73 0.00 0.00 179.01 178.22 2k0f h ALA 124 N 0.74 0.50 -2.29 2.92 0.00 -1.20 -3.45 119.26 116.47 2k0f h ALA 124 Ca 0.06 -0.78 -0.55 0.00 0.00 0.00 0.00 54.91 53.64 2k0f h ALA 124 Cb 0.63 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 124 CO 0.04 1.04 0.83 0.34 0.00 0.00 0.00 179.25 181.50 2k0f s ASP 125 N -6.55 6.92 -0.26 0.00 2.15 -0.53 -4.90 116.67 113.50 2k0f s ASP 125 Ca 0.02 1.93 -0.16 0.00 0.43 0.00 0.00 52.55 54.77 2k0f s ASP 125 Cb 0.09 -2.55 -0.14 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.79 -0.71 -0.20 -0.38 -0.17 0.00 0.00 175.17 174.50 2k0f n ILE 126 N 4.89 1.53 0.06 4.11 5.41 -1.26 -4.74 119.36 129.37 2k0f n ILE 126 Ca 0.13 -0.30 -0.03 0.00 1.00 0.00 0.00 62.75 63.55 2k0f n ILE 126 Cb 0.45 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.45 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 -0.98 -0.19 0.00 4.38 3.04 -1.94 -3.49 116.42 117.24 2k0f h ASP 127 Ca -0.61 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.18 2k0f h ASP 127 Cb 1.55 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.88 2k0f h ASP 127 CO -0.36 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.57 2k0f n GLY 128 N 1.07 0.00 0.10 7.15 0.00 -1.26 -5.07 105.19 107.18 2k0f n GLY 128 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.95 -3.48 116.42 114.63 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.64 0.00 0.61 -1.03 0.00 0.00 179.24 179.46 2k0f n GLY 130 N 1.37 0.84 3.01 7.15 0.00 -1.26 -5.08 105.19 111.22 2k0f n GLY 130 Ca -0.07 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.63 1.54 -0.42 1.61 -0.21 -1.26 -4.87 119.66 115.42 2k0f s GLN 131 Ca 0.00 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 54.76 2k0f s GLN 131 Cb 0.00 -1.30 0.02 0.00 1.00 0.00 0.00 33.01 32.73 2k0f s GLN 131 CO 0.00 0.04 0.85 0.08 -2.12 0.00 0.00 175.29 174.13 2k0f s VAL 132 N 0.61 4.61 0.76 1.09 1.01 -1.11 -4.84 120.40 122.52 2k0f s VAL 132 Ca -0.13 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2k0f s VAL 132 Cb -0.15 -4.33 0.10 0.00 0.00 0.00 0.00 36.38 32.00 2k0f s VAL 132 CO 0.03 -0.65 1.08 0.54 0.00 0.00 0.00 175.10 176.10 2k0f s ASN 133 N 2.06 4.43 0.28 3.32 2.20 -1.26 0.18 114.94 126.15 2k0f s ASN 133 Ca 0.34 0.34 0.05 0.00 -0.94 0.00 0.00 52.86 52.64 2k0f s ASN 133 Cb -0.12 -0.83 0.39 0.00 -2.00 0.00 0.00 41.25 38.69 2k0f s ASN 133 CO 0.22 -1.86 1.67 0.22 -2.94 0.00 0.00 177.10 174.41 2k0f h TYR 134 N -0.81 0.37 -0.43 1.54 3.20 -1.90 -2.36 116.97 116.59 2k0f h TYR 134 Ca -0.43 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.23 2k0f h TYR 134 Cb 1.30 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2k0f h TYR 134 CO -0.00 0.68 -0.14 0.93 -1.64 0.00 0.00 178.16 177.99 2k0f h GLU 135 N 0.26 0.86 -0.24 1.82 5.08 -1.94 -1.55 114.58 118.87 2k0f h GLU 135 Ca 0.02 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 135 Cb 0.84 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2k0f h GLU 135 CO 0.07 0.98 0.16 0.93 -1.00 0.00 0.00 179.01 180.15 2k0f h GLU 136 N 0.69 0.16 -0.24 2.33 5.08 -1.90 -1.80 114.58 118.89 2k0f h GLU 136 Ca 0.11 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 136 Cb 0.69 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 136 CO 0.05 0.11 -0.33 0.35 -1.00 0.00 0.00 179.01 178.19 2k0f h PHE 137 N 0.17 0.59 -0.04 4.33 3.57 -0.79 -0.39 116.94 124.38 2k0f h PHE 137 Ca 0.10 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 137 Cb 0.21 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2k0f h PHE 137 CO -0.00 0.78 0.01 0.28 -2.23 0.00 0.00 178.31 177.15 2k0f h VAL 138 N 0.44 1.17 -0.18 1.41 2.07 -1.21 -2.43 116.25 117.52 2k0f h VAL 138 Ca 0.05 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2k0f h VAL 138 Cb 0.78 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2k0f h VAL 138 CO 0.06 0.14 0.10 1.56 0.02 0.00 0.00 177.57 179.45 2k0f h GLN 139 N -0.14 0.26 -0.77 1.57 4.20 -0.92 0.30 115.11 119.60 2k0f h GLN 139 Ca 0.01 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.79 2k0f h GLN 139 Cb 0.21 -0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.82 2k0f h GLN 139 CO -0.00 0.26 -0.48 1.98 -0.67 0.00 0.00 178.83 179.92 2k0f h MET 140 N 0.19 -0.13 0.10 1.46 4.05 -1.15 -3.21 114.93 116.25 2k0f h MET 140 Ca 0.06 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 140 Cb 0.07 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2k0f h MET 140 CO -0.01 -0.08 -0.05 0.52 0.23 0.00 0.00 176.91 177.52 2k0f h MET 141 N -0.13 -0.13 0.00 0.39 2.86 -0.78 -3.51 114.93 113.62 2k0f h MET 141 Ca 0.20 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2k0f h MET 141 Cb 0.53 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2k0f h MET 141 CO -0.82 0.01 0.00 0.25 1.06 0.00 0.00 176.91 177.41