#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 -0.37 0.00 1.09 4.57 -2.05 -3.14 114.58 114.68 2k0f h GLU 2 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2k0f h GLU 2 Cb 0.00 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2k0f h GLU 2 CO 0.00 -0.25 -0.11 0.93 -1.18 0.00 0.00 179.01 178.40 2k0f h GLU 3 N -0.39 0.00 0.39 1.92 4.39 -2.05 -0.01 114.58 118.82 2k0f h GLU 3 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2k0f h GLU 3 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 3 CO -0.15 0.11 -0.19 1.96 -1.16 0.00 0.00 179.01 179.58 2k0f h GLN 4 N 0.00 -0.50 -0.91 2.33 4.20 -1.98 -1.88 115.11 116.37 2k0f h GLN 4 Ca -0.00 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.91 2k0f h GLN 4 Cb 0.44 0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.24 2k0f h GLN 4 CO 0.01 -0.25 0.50 0.82 -0.67 0.00 0.00 178.83 179.25 2k0f h ILE 5 N -0.67 0.71 -0.93 2.54 1.08 -1.40 -0.52 117.51 118.32 2k0f h ILE 5 Ca -0.05 -0.23 0.14 0.00 -0.39 0.00 0.00 64.86 64.33 2k0f h ILE 5 Cb 0.48 -0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 34.12 2k0f h ILE 5 CO 0.09 0.12 0.54 0.00 -0.69 0.00 0.00 178.15 178.21 2k0f h ALA 6 N 1.60 1.43 0.00 1.87 0.00 -0.84 0.71 119.26 124.02 2k0f h ALA 6 Ca 0.51 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 55.24 2k0f h ALA 6 Cb 0.76 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 6 CO -0.38 0.04 -1.37 0.93 0.00 0.00 0.00 179.25 178.48 2k0f h GLU 7 N 0.79 0.00 -0.74 0.00 5.08 -0.82 -3.01 114.58 115.87 2k0f h GLU 7 Ca 0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 2k0f h GLU 7 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2k0f h GLU 7 CO -0.32 0.61 0.37 0.74 -1.00 0.00 0.00 179.01 179.41 2k0f h PHE 8 N 0.00 1.03 -0.55 4.33 0.04 -0.99 -3.20 116.94 117.61 2k0f h PHE 8 Ca -0.17 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.51 2k0f h PHE 8 Cb 1.83 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.64 2k0f h PHE 8 CO 0.00 0.74 0.10 -0.22 -0.60 0.00 0.00 178.31 178.33 2k0f h LYS 9 N 1.04 0.90 -0.51 1.51 1.63 -0.81 -2.69 116.57 117.63 2k0f h LYS 9 Ca 0.26 -0.24 0.10 0.00 -0.85 0.00 0.00 60.65 59.92 2k0f h LYS 9 Cb 0.08 -0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 31.52 2k0f h LYS 9 CO -0.04 0.87 -0.03 0.93 -3.45 0.00 0.00 179.45 177.73 2k0f h GLU 10 N 0.79 0.08 0.00 1.90 4.39 -1.55 0.13 114.58 120.32 2k0f h GLU 10 Ca 0.17 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 10 Cb 0.40 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2k0f h GLU 10 CO 0.01 0.06 -0.05 0.00 -1.16 0.00 0.00 179.01 177.86 2k0f h ALA 11 N 1.47 1.85 0.02 3.43 0.00 -1.51 -1.25 119.26 123.28 2k0f h ALA 11 Ca 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 11 Cb 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k0f h ALA 11 CO -0.46 0.07 -0.34 0.35 0.00 0.00 0.00 179.25 178.87 2k0f h PHE 12 N 0.00 0.31 0.00 0.00 3.57 -1.04 -3.29 116.94 116.48 2k0f h PHE 12 Ca -0.00 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 2k0f h PHE 12 Cb 0.10 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2k0f h PHE 12 CO 0.00 1.02 -0.00 1.03 -2.23 0.00 0.00 178.31 178.13 2k0f h SER 13 N -0.49 0.00 -0.46 0.41 0.87 -0.36 -0.63 113.55 112.88 2k0f h SER 13 Ca -0.05 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 2k0f h SER 13 Cb 1.13 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.03 2k0f h SER 13 CO 0.07 0.00 0.12 0.25 -0.53 0.00 0.00 176.83 176.74 2k0f h LEU 14 N 0.00 0.07 0.16 2.23 5.85 -1.31 -3.24 115.31 119.07 2k0f h LEU 14 Ca -0.00 0.07 -0.35 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 14 Cb 0.66 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2k0f h LEU 14 CO 0.00 0.07 -1.76 -0.26 -0.34 0.00 0.00 178.44 176.15 2k0f h PHE 15 N 0.27 0.61 -2.10 1.25 0.04 -1.37 -3.44 116.94 112.19 2k0f h PHE 15 Ca 0.23 -0.44 -0.53 0.00 2.80 0.00 0.00 57.97 60.02 2k0f h PHE 15 Cb 0.27 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2k0f h PHE 15 CO -0.19 1.63 1.43 0.34 -0.60 0.00 0.00 178.31 180.91 2k0f s ASP 16 N -7.15 5.29 0.16 2.17 -1.08 -0.35 -4.78 116.67 110.93 2k0f s ASP 16 Ca -0.16 1.11 0.07 0.00 -0.52 0.00 0.00 52.55 53.05 2k0f s ASP 16 Cb 0.06 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2k0f s ASP 16 CO 0.84 -2.22 1.37 0.50 0.52 0.00 0.00 175.17 176.18 2k0f h LYS 17 N 15.50 0.04 0.00 4.34 1.63 -1.85 -3.33 116.57 132.90 2k0f h LYS 17 Ca -0.31 -0.05 -0.35 0.00 -0.85 0.00 0.00 60.65 59.10 2k0f h LYS 17 Cb 1.20 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.78 2k0f h LYS 17 CO 1.10 0.90 -2.32 -0.25 -3.45 0.00 0.00 179.45 175.43 2k0f n ASP 18 N -3.52 0.73 0.00 4.20 8.00 -1.26 -5.05 116.55 119.65 2k0f n ASP 18 Ca -0.01 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2k0f n ASP 18 Cb 0.84 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 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 1.95 0.71 0.16 0.44 0.00 -1.25 -4.98 105.19 102.20 2k0f n GLY 19 Ca -0.34 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.96 -3.46 116.42 114.64 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 2k0f h ASP 20 CO 0.00 0.53 0.00 0.61 -1.03 0.00 0.00 179.24 179.35 2k0f n GLY 21 N 0.04 0.97 3.15 7.15 0.00 -1.26 -5.12 105.19 110.11 2k0f n GLY 21 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 1.43 -0.17 2.61 -4.23 -1.26 -3.31 115.64 108.71 2k0f s THR 22 Ca 0.00 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2k0f s THR 22 Cb 0.00 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 2k0f s THR 22 CO 0.00 0.41 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.79 2k0f s ILE 23 N -0.09 3.43 0.00 2.99 1.01 -0.18 -4.86 121.20 123.50 2k0f s ILE 23 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2k0f s ILE 23 Cb -0.10 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2k0f s ILE 23 CO 0.01 0.48 0.00 0.35 0.00 0.00 0.00 174.94 175.78 2k0f n THR 24 N 3.96 0.00 0.04 2.92 -2.24 -1.26 -1.89 114.28 115.80 2k0f n THR 24 Ca -0.18 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 2k0f n THR 24 Cb 0.52 -1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 67.37 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -0.24 1.07 -0.98 4.28 1.35 -1.89 -3.27 112.91 113.22 2k0f h THR 25 Ca 0.00 -0.28 0.18 0.00 -0.55 0.00 0.00 66.41 65.77 2k0f h THR 25 Cb 0.00 1.26 -0.09 0.00 -1.73 0.00 0.00 68.15 67.58 2k0f h THR 25 CO 0.00 0.07 0.61 0.11 -0.25 0.00 0.00 175.52 176.06 2k0f h LYS 26 N -0.15 0.71 0.00 4.72 1.57 -1.97 0.11 116.57 121.56 2k0f h LYS 26 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k0f h LYS 26 Cb 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2k0f h LYS 26 CO 0.00 0.47 -1.18 0.39 -0.57 0.00 0.00 179.45 178.56 2k0f n GLU 27 N -4.69 0.42 0.00 3.15 1.02 -1.25 -1.39 120.64 117.90 2k0f n GLU 27 Ca 0.22 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 57.19 2k0f n GLU 27 Cb 0.57 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 2k0f n GLU 27 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k0f h LEU 28 N 0.00 0.26 -0.57 -4.62 3.38 -1.51 -3.35 115.31 108.90 2k0f h LEU 28 Ca 0.00 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 2k0f h LEU 28 Cb 0.83 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2k0f h LEU 28 CO 0.00 1.48 0.22 1.23 0.09 0.00 0.00 178.44 181.46 2k0f h GLY 29 N 2.08 0.91 1.04 0.83 0.00 -0.82 -3.07 103.07 104.04 2k0f h GLY 29 Ca -0.34 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.37 2k0f h GLY 29 CO 0.10 0.48 -0.17 -0.84 0.00 0.00 0.00 176.54 176.10 2k0f h THR 30 N 0.78 1.28 -0.49 4.70 2.02 -1.44 -1.75 112.91 118.01 2k0f h THR 30 Ca 0.19 -1.31 0.08 0.00 0.77 0.00 0.00 66.41 66.14 2k0f h THR 30 Cb 0.21 1.22 -0.10 0.00 -1.74 0.00 0.00 68.15 67.74 2k0f h THR 30 CO -0.01 0.44 -0.40 0.58 0.37 0.00 0.00 175.52 176.50 2k0f h VAL 31 N 0.69 0.13 0.08 3.16 2.07 -1.69 -0.03 116.25 120.67 2k0f h VAL 31 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 31 Cb 0.73 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k0f h VAL 31 CO 0.06 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.85 2k0f h MET 32 N -0.26 -0.11 -0.76 1.57 2.86 -1.44 0.11 114.93 116.90 2k0f h MET 32 Ca 0.17 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 58.00 2k0f h MET 32 Cb 0.57 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.12 2k0f h MET 32 CO -0.62 0.09 0.09 0.00 1.06 0.00 0.00 176.91 177.52 2k0f h ARG 33 N -0.29 0.16 -0.38 1.72 3.08 -0.90 0.34 114.38 118.10 2k0f h ARG 33 Ca -0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2k0f h ARG 33 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2k0f h ARG 33 CO 0.02 0.10 0.16 1.03 -1.07 0.00 0.00 179.97 180.21 2k0f h SER 34 N 0.16 0.51 0.02 7.04 0.87 -0.56 -2.86 113.55 118.74 2k0f h SER 34 Ca 0.43 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2k0f h SER 34 Cb 0.78 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2k0f h SER 34 CO -0.62 0.53 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.08 2k0f h LEU 35 N 0.47 -0.15 0.00 2.23 3.38 -0.39 -3.46 115.31 117.39 2k0f h LEU 35 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k0f h LEU 35 Cb 0.16 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2k0f h LEU 35 CO -0.01 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.04 2k0f n GLY 36 N -1.17 0.00 3.17 0.83 0.00 -0.33 -5.09 105.19 102.60 2k0f n GLY 36 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 0.81 -0.74 1.61 2.00 -0.04 -4.97 119.66 118.34 2k0f s GLN 37 Ca 0.00 -0.99 -0.17 0.00 -2.00 0.00 0.00 55.36 52.20 2k0f s GLN 37 Cb 0.00 -0.74 0.14 0.00 0.80 0.00 0.00 33.01 33.21 2k0f s GLN 37 CO 0.00 0.15 0.82 -0.80 -0.50 0.00 0.00 175.29 174.96 2k0f s ASN 38 N -1.88 6.44 0.79 6.67 0.01 -1.26 -2.64 114.94 123.07 2k0f s ASN 38 Ca -0.01 -1.93 -0.11 0.00 -0.71 0.00 0.00 52.86 50.10 2k0f s ASN 38 Cb -0.09 -2.30 0.06 0.00 0.41 0.00 0.00 41.25 39.34 2k0f s ASN 38 CO 0.02 -0.95 1.10 -2.16 -1.51 0.00 0.00 177.10 173.59 2k0f s PRO 39 N 1.99 2.18 0.13 -0.60 0.04 -1.26 -5.07 135.00 132.41 2k0f s PRO 39 Ca 0.18 0.62 0.09 0.00 0.04 0.00 0.00 61.00 61.93 2k0f s PRO 39 Cb -0.16 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2k0f s PRO 39 CO -0.02 -1.55 -0.17 -0.08 0.04 0.00 0.00 177.00 175.22 2k0f s THR 40 N -3.18 2.86 0.15 1.26 -1.32 -1.26 -5.03 115.64 109.13 2k0f s THR 40 Ca 0.60 -1.55 0.22 0.00 -1.21 0.00 0.00 61.69 59.76 2k0f s THR 40 Cb -0.14 -2.33 0.20 0.00 -1.51 0.00 0.00 72.50 68.72 2k0f s THR 40 CO 0.54 0.06 1.80 -0.08 -2.21 0.00 0.00 174.62 174.73 2k0f h GLU 41 N 3.61 0.00 -0.97 7.08 4.81 -2.00 -2.73 114.58 124.38 2k0f h GLU 41 Ca -0.49 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 41 Cb 1.17 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 41 CO 0.47 0.27 0.57 0.00 -0.73 0.00 0.00 179.01 179.59 2k0f h ALA 42 N 1.73 1.56 0.00 2.92 0.00 -1.98 0.14 119.26 123.63 2k0f h ALA 42 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 42 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k0f h ALA 42 CO 0.04 -0.03 0.00 1.05 0.00 0.00 0.00 179.25 180.30 2k0f h GLU 43 N 0.75 0.00 0.11 0.00 4.11 -1.91 -1.52 114.58 116.12 2k0f h GLU 43 Ca 0.54 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.69 2k0f h GLU 43 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2k0f h GLU 43 CO -0.37 0.00 -1.50 -0.07 0.07 0.00 0.00 179.01 177.14 2k0f h LEU 44 N 0.00 0.36 -0.62 3.06 3.38 -1.27 -0.04 115.31 120.17 2k0f h LEU 44 Ca 0.00 -0.84 0.09 0.00 0.09 0.00 0.00 57.88 57.22 2k0f h LEU 44 Cb 0.63 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2k0f h LEU 44 CO 0.00 1.65 0.26 1.56 0.09 0.00 0.00 178.44 182.00 2k0f h GLN 45 N -0.29 0.45 0.22 1.13 4.20 -0.79 -0.14 115.11 119.89 2k0f h GLN 45 Ca -0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2k0f h GLN 45 Cb 1.77 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.46 2k0f h GLN 45 CO 0.04 0.30 -0.11 0.22 -0.67 0.00 0.00 178.83 178.61 2k0f h ASP 46 N 0.46 -0.25 -0.71 1.46 3.58 -1.30 0.74 116.42 120.40 2k0f h ASP 46 Ca 0.31 -0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.86 2k0f h ASP 46 Cb 0.36 0.07 -0.13 0.00 1.72 0.00 0.00 39.33 41.35 2k0f h ASP 46 CO -0.28 -0.16 -0.38 -0.03 -2.88 0.00 0.00 179.24 175.51 2k0f h MET 47 N -0.33 -0.12 0.36 0.28 4.05 -0.85 0.11 114.93 118.43 2k0f h MET 47 Ca -0.03 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2k0f h MET 47 Cb 0.25 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2k0f h MET 47 CO 0.05 -0.08 -0.17 0.82 0.23 0.00 0.00 176.91 177.76 2k0f h ILE 48 N -0.13 0.65 0.00 1.77 2.04 -0.90 -3.31 117.51 117.64 2k0f h ILE 48 Ca 0.25 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2k0f h ILE 48 Cb 0.56 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2k0f h ILE 48 CO -0.78 0.01 0.00 0.78 0.00 0.00 0.00 178.15 178.17 2k0f h ASN 49 N -0.52 0.00 -0.87 1.72 2.35 0.90 -2.07 115.58 117.09 2k0f h ASN 49 Ca -0.05 0.00 0.22 0.00 -0.55 0.00 0.00 56.30 55.92 2k0f h ASN 49 Cb 0.39 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.64 2k0f h ASN 49 CO 0.08 0.00 0.34 -0.08 -1.65 0.00 0.00 177.43 176.12 2k0f h GLU 50 N 0.00 0.33 -0.41 0.81 4.81 -0.87 -3.00 114.58 116.25 2k0f h GLU 50 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 50 Cb 0.83 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2k0f h GLU 50 CO 0.00 0.22 0.00 1.33 -0.73 0.00 0.00 179.01 179.83 2k0f n VAL 51 N -5.09 0.76 -2.55 0.32 0.24 -0.83 -4.95 118.33 106.22 2k0f n VAL 51 Ca 0.21 -0.88 -0.41 0.00 -2.04 0.00 0.00 64.34 61.22 2k0f n VAL 51 Cb 0.64 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.10 6.33 -0.04 -1.34 2.15 -0.90 -4.82 116.67 116.94 2k0f s ASP 52 Ca 0.31 -0.97 -0.26 0.00 0.43 0.00 0.00 52.55 52.07 2k0f s ASP 52 Cb 0.17 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 52 CO 0.23 -1.67 1.15 0.00 -0.17 0.00 0.00 175.17 174.71 2k0f h ALA 53 N 9.93 -0.02 0.62 3.66 0.00 -1.90 -3.36 119.26 128.19 2k0f h ALA 53 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 53 Cb 1.03 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 53 CO 1.36 -0.22 -0.30 0.38 0.00 0.00 0.00 179.25 180.47 2k0f h ASP 54 N -0.61 -0.71 0.00 0.00 3.04 -1.94 -3.48 116.42 112.72 2k0f h ASP 54 Ca -0.00 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2k0f h ASP 54 Cb 0.58 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.05 2k0f h ASP 54 CO 0.00 -0.37 0.00 0.61 -2.04 0.00 0.00 179.24 177.45 2k0f n GLY 55 N -0.54 1.22 0.12 7.15 0.00 -1.26 -5.05 105.19 106.83 2k0f n GLY 55 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.93 -3.48 115.58 110.70 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 0.52 0.00 0.61 0.07 0.00 0.00 177.43 178.63 2k0f n GLY 57 N 1.28 0.78 3.08 9.14 0.00 -1.26 -5.08 105.19 113.13 2k0f n GLY 57 Ca -0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 0.74 -0.36 2.61 -4.23 -1.26 -4.83 115.64 106.30 2k0f s THR 58 Ca 0.00 -1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.32 2k0f s THR 58 Cb 0.00 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.10 2k0f s THR 58 CO 0.00 -0.22 0.52 -0.51 -0.54 0.00 0.00 174.62 173.87 2k0f s ILE 59 N -1.11 5.01 0.79 2.99 2.07 -0.79 -4.85 121.20 125.30 2k0f s ILE 59 Ca -0.05 0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 59.39 2k0f s ILE 59 Cb -0.09 -3.99 0.14 0.00 0.13 0.00 0.00 42.46 38.65 2k0f s ILE 59 CO 0.01 -0.27 1.09 -1.81 -1.91 0.00 0.00 174.94 172.05 2k0f s ASP 60 N 1.79 4.04 0.09 4.50 1.01 -1.26 -1.01 116.67 125.83 2k0f s ASP 60 Ca 0.18 -0.07 -0.31 0.00 0.71 0.00 0.00 52.55 53.06 2k0f s ASP 60 Cb -0.15 -0.24 -0.14 0.00 1.01 0.00 0.00 42.92 43.39 2k0f s ASP 60 CO 0.14 -2.08 1.63 0.15 0.21 0.00 0.00 175.17 175.21 2k0f h PHE 61 N -0.86 -0.83 0.00 4.23 3.57 -1.95 -2.60 116.94 118.49 2k0f h PHE 61 Ca -0.40 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.26 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2k0f h PHE 61 CO -0.42 -0.46 0.00 -0.35 -2.23 0.00 0.00 178.31 174.85 2k0f n PRO 62 N -5.44 0.37 -0.03 6.41 -0.04 -1.26 -2.86 135.00 132.16 2k0f n PRO 62 Ca -0.10 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 2k0f n PRO 62 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.29 0.71 -0.29 0.54 1.02 -1.19 -2.24 120.64 117.90 2k0f n GLU 63 Ca 0.13 0.34 0.16 0.00 -0.02 0.00 0.00 57.16 57.77 2k0f n GLU 63 Cb 0.22 -1.71 0.43 0.00 -0.02 0.00 0.00 31.44 30.36 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N -0.21 0.76 0.00 -0.32 3.57 -1.51 -0.03 116.94 119.20 2k0f h PHE 64 Ca -0.41 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.03 2k0f h PHE 64 Cb 1.85 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.35 2k0f h PHE 64 CO 0.08 0.20 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.91 2k0f h LEU 65 N 0.57 0.00 -0.17 0.59 3.38 -1.47 -2.63 115.31 115.58 2k0f h LEU 65 Ca 0.50 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.25 2k0f h LEU 65 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k0f h LEU 65 CO -0.25 0.38 -0.96 0.74 0.09 0.00 0.00 178.44 178.44 2k0f h THR 66 N 0.00 1.46 -0.47 0.22 2.02 -0.87 -3.19 112.91 112.08 2k0f h THR 66 Ca -0.00 -2.62 -0.02 0.00 0.77 0.00 0.00 66.41 64.54 2k0f h THR 66 Cb 0.71 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 2k0f h THR 66 CO 0.05 0.77 0.21 -0.03 0.37 0.00 0.00 175.52 176.89 2k0f h MET 67 N 0.16 0.66 0.00 6.66 1.85 -0.65 0.49 114.93 124.10 2k0f h MET 67 Ca -0.07 -0.08 -0.26 0.00 -0.61 0.00 0.00 59.70 58.68 2k0f h MET 67 Cb 1.61 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 33.47 2k0f h MET 67 CO 0.16 0.53 -1.57 0.52 -0.40 0.00 0.00 176.91 176.15 2k0f h MET 68 N 0.66 0.00 0.00 0.39 2.07 -1.63 -3.39 114.93 113.03 2k0f h MET 68 Ca 0.16 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.66 2k0f h MET 68 Cb 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2k0f h MET 68 CO -0.02 0.51 -2.10 0.00 1.07 0.00 0.00 176.91 176.37 2k0f n ALA 69 N -2.50 2.34 -1.83 6.32 0.00 -0.93 -4.54 120.51 119.37 2k0f n ALA 69 Ca -0.14 -0.79 -0.37 0.00 0.00 0.00 0.00 53.44 52.14 2k0f n ALA 69 Cb 1.00 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.15 2.39 -0.15 0.00 3.52 0.17 -4.93 118.95 116.80 2k0f s ARG 70 Ca -0.08 0.95 -0.15 0.00 -0.13 0.00 0.00 55.73 56.32 2k0f s ARG 70 Cb 0.11 -4.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.07 2k0f s ARG 70 CO 0.88 -2.98 0.43 0.21 -0.81 0.00 0.00 175.30 173.03 2k0f s LYS 71 N 7.58 0.53 0.00 5.12 2.20 -1.26 -4.89 119.74 129.02 2k0f s LYS 71 Ca 0.80 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 2k0f s LYS 71 Cb -0.14 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2k0f s LYS 71 CO 0.23 -0.08 0.00 -1.33 -0.36 0.00 0.00 175.35 173.81 2k0f n MET 72 N 2.67 0.00 -1.61 4.03 2.81 -1.26 -5.09 117.12 118.67 2k0f n MET 72 Ca -0.14 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.41 2k0f n MET 72 Cb 0.57 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.15 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 1.00 2.48 0.07 0.03 1.02 -1.26 -4.98 119.74 118.10 2k0f s LYS 73 Ca 0.00 1.60 0.22 0.00 0.02 0.00 0.00 55.97 57.81 2k0f s LYS 73 Cb 0.00 -1.89 -0.12 0.00 -0.52 0.00 0.00 37.83 35.30 2k0f s LYS 73 CO 0.00 -1.54 0.83 -0.25 -0.92 0.00 0.00 175.35 173.47 2k0f n ASP 74 N -2.52 0.48 0.26 2.83 8.00 -1.26 -3.90 116.55 120.44 2k0f n ASP 74 Ca 0.12 0.03 0.17 0.00 0.71 0.00 0.00 54.79 55.82 2k0f n ASP 74 Cb 0.51 1.13 0.68 0.00 -0.02 0.00 0.00 41.12 43.41 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 0.00 -0.15 -3.53 1.35 -2.02 -2.97 112.91 105.60 2k0f h THR 75 Ca 0.00 -0.46 -0.15 0.00 -0.55 0.00 0.00 66.41 65.24 2k0f h THR 75 Cb 0.92 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 2k0f h THR 75 CO 0.00 0.00 -0.56 -0.78 -0.25 0.00 0.00 175.52 173.93 2k0f h ASP 76 N 0.00 0.49 0.93 5.36 3.58 -1.97 -2.74 116.42 122.08 2k0f h ASP 76 Ca 0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.13 2k0f h ASP 76 Cb 0.48 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2k0f h ASP 76 CO 0.00 0.95 -0.25 0.28 -2.88 0.00 0.00 179.24 177.34 2k0f h SER 77 N 0.34 0.00 0.91 2.28 0.02 -1.74 -2.45 113.55 112.90 2k0f h SER 77 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 77 Cb 1.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 2k0f h SER 77 CO 0.10 0.25 -0.97 -0.33 -1.14 0.00 0.00 176.83 174.74 2k0f h GLU 78 N 0.00 0.03 0.23 3.45 4.39 -1.61 -0.83 114.58 120.24 2k0f h GLU 78 Ca -0.00 -0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.35 2k0f h GLU 78 Cb 0.78 0.02 0.04 0.00 -0.10 0.00 0.00 28.75 29.48 2k0f h GLU 78 CO 0.03 0.97 -1.32 0.93 -1.16 0.00 0.00 179.01 178.46 2k0f h GLU 79 N 0.01 0.49 -0.31 2.33 4.39 -1.60 -3.22 114.58 116.67 2k0f h GLU 79 Ca -0.02 -0.83 0.01 0.00 0.34 0.00 0.00 59.36 58.86 2k0f h GLU 79 Cb 1.69 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 30.63 2k0f h GLU 79 CO 0.13 1.40 0.19 1.49 -1.16 0.00 0.00 179.01 181.06 2k0f h GLU 80 N 0.02 0.37 -0.11 2.33 4.81 -1.32 0.22 114.58 120.91 2k0f h GLU 80 Ca -0.23 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2k0f h GLU 80 Cb 2.04 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.33 2k0f h GLU 80 CO 0.25 0.25 -0.50 0.82 -0.73 0.00 0.00 179.01 179.09 2k0f h ILE 81 N 0.38 1.34 -0.01 2.32 2.04 -1.32 -0.75 117.51 121.52 2k0f h ILE 81 Ca 0.12 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2k0f h ILE 81 Cb -0.01 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2k0f h ILE 81 CO -0.05 0.52 -0.02 -0.09 0.00 0.00 0.00 178.15 178.51 2k0f h ARG 82 N 0.23 0.02 0.00 2.37 2.43 -1.50 -2.63 114.38 115.30 2k0f h ARG 82 Ca 0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2k0f h ARG 82 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2k0f h ARG 82 CO 0.08 0.62 -0.19 0.93 -1.51 0.00 0.00 179.97 179.90 2k0f h GLU 83 N -0.56 0.00 -0.01 0.20 4.39 -0.59 -1.51 114.58 116.49 2k0f h GLU 83 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2k0f h GLU 83 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2k0f h GLU 83 CO 0.00 0.19 -0.11 0.00 -1.16 0.00 0.00 179.01 177.93 2k0f h ALA 84 N 1.81 -0.11 -0.99 3.43 0.00 -1.14 -3.19 119.26 119.08 2k0f h ALA 84 Ca -0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 84 Cb 0.39 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 84 CO 0.02 -0.60 0.63 0.35 0.00 0.00 0.00 179.25 179.65 2k0f h PHE 85 N -0.18 1.11 0.00 0.00 3.04 -0.89 -2.69 116.94 117.33 2k0f h PHE 85 Ca 0.04 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 2k0f h PHE 85 Cb 0.23 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 2k0f h PHE 85 CO -0.17 0.45 -0.16 -0.09 -2.02 0.00 0.00 178.31 176.31 2k0f h ARG 86 N 0.97 0.00 -0.58 1.11 2.43 -1.48 -0.67 114.38 116.16 2k0f h ARG 86 Ca 0.49 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.58 2k0f h ARG 86 Cb 0.49 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2k0f h ARG 86 CO -0.25 0.16 0.04 0.28 -1.51 0.00 0.00 179.97 178.69 2k0f h VAL 87 N 0.00 1.26 0.01 0.20 2.07 -1.54 -3.32 116.25 114.92 2k0f h VAL 87 Ca -0.00 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2k0f h VAL 87 Cb 0.48 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k0f h VAL 87 CO 0.02 0.38 -0.00 -0.26 0.02 0.00 0.00 177.57 177.73 2k0f h PHE 88 N 0.91 -0.01 -1.69 1.57 -1.00 -1.23 -3.43 116.94 112.05 2k0f h PHE 88 Ca 0.17 -0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.49 2k0f h PHE 88 Cb 0.47 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 2k0f h PHE 88 CO 0.03 -0.01 1.54 0.34 -1.61 0.00 0.00 178.31 178.61 2k0f s ASP 89 N -5.30 4.64 -0.04 2.17 2.15 -0.80 -4.64 116.67 114.86 2k0f s ASP 89 Ca -0.00 0.87 -0.22 0.00 0.43 0.00 0.00 52.55 53.63 2k0f s ASP 89 Cb 0.00 -2.51 -0.16 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.00 -2.77 0.96 0.50 -0.17 0.00 0.00 175.17 173.69 2k0f h LYS 90 N 18.32 -0.27 -0.09 4.34 3.64 -1.84 -3.38 116.57 137.29 2k0f h LYS 90 Ca -0.24 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2k0f h LYS 90 Cb 1.24 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2k0f h LYS 90 CO 1.17 0.13 -0.01 0.38 -2.27 0.00 0.00 179.45 178.85 2k0f h ASP 91 N -0.84 0.17 0.00 4.20 3.04 -1.94 -3.49 116.42 117.57 2k0f h ASP 91 Ca -0.03 -0.33 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 2k0f h ASP 91 Cb 0.51 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 2k0f h ASP 91 CO 0.05 0.46 0.00 0.61 -2.04 0.00 0.00 179.24 178.32 2k0f n GLY 92 N -0.22 1.37 0.09 7.15 0.00 -1.26 -5.03 105.19 107.29 2k0f n GLY 92 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.64 0.00 1.61 0.23 -1.26 -4.97 115.26 111.51 2k0f n ASN 93 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 2k0f n ASN 93 Cb 0.00 0.83 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.20 0.96 3.29 4.83 0.00 -1.26 -5.09 105.19 109.12 2k0f n GLY 94 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 2.36 -0.32 1.61 1.51 -1.26 -3.80 117.35 115.46 2k0f s TYR 95 Ca 0.00 -0.56 -0.19 0.00 -1.01 0.00 0.00 57.07 55.31 2k0f s TYR 95 Cb 0.00 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 2k0f s TYR 95 CO 0.00 -0.12 0.56 0.42 -1.11 0.00 0.00 175.55 175.30 2k0f s ILE 96 N -0.41 4.99 0.84 2.71 1.01 0.12 -4.80 121.20 125.66 2k0f s ILE 96 Ca 0.04 0.65 -0.14 0.00 0.00 0.00 0.00 60.65 61.19 2k0f s ILE 96 Cb -0.12 -3.95 0.19 0.00 0.01 0.00 0.00 42.46 38.60 2k0f s ILE 96 CO 0.01 -0.13 1.15 -1.54 0.00 0.00 0.00 174.94 174.43 2k0f n SER 97 N 5.77 0.09 -0.22 3.58 3.41 -1.26 -0.81 113.62 124.18 2k0f n SER 97 Ca -0.03 -1.42 0.01 0.00 -0.26 0.00 0.00 58.87 57.17 2k0f n SER 97 Cb 0.49 -0.88 0.12 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.82 0.86 -0.38 7.33 0.00 -1.98 -0.79 119.26 122.49 2k0f h ALA 98 Ca -0.37 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2k0f h ALA 98 Cb 1.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 98 CO 0.26 -0.14 -0.34 0.00 0.00 0.00 0.00 179.25 179.03 2k0f h ALA 99 N 1.43 0.69 0.06 0.00 0.00 -1.97 0.75 119.26 120.21 2k0f h ALA 99 Ca 0.33 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 99 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k0f h ALA 99 CO -0.30 0.67 -0.03 0.93 0.00 0.00 0.00 179.25 180.52 2k0f h GLU 100 N 0.72 -0.08 -0.10 0.00 5.08 -1.82 -1.74 114.58 116.64 2k0f h GLU 100 Ca 0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 100 Cb 0.90 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 2k0f h GLU 100 CO 0.08 0.29 -0.15 1.25 -1.00 0.00 0.00 179.01 179.47 2k0f h LEU 101 N -0.46 -0.47 -0.51 1.33 5.85 -1.01 -3.25 115.31 116.78 2k0f h LEU 101 Ca -0.01 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2k0f h LEU 101 Cb 0.41 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2k0f h LEU 101 CO 0.01 -0.20 0.21 -0.09 -0.34 0.00 0.00 178.44 178.03 2k0f h ARG 102 N -0.21 0.77 -0.14 1.25 2.43 -0.82 -2.14 114.38 115.52 2k0f h ARG 102 Ca 0.08 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 102 Cb 0.32 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2k0f h ARG 102 CO -0.22 0.68 -0.16 1.25 -1.51 0.00 0.00 179.97 180.00 2k0f h HIS 103 N 0.69 -0.50 -0.93 2.20 2.76 -1.41 -3.01 115.15 114.95 2k0f h HIS 103 Ca 0.17 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.49 2k0f h HIS 103 Cb 0.20 0.24 -0.07 0.00 1.55 0.00 0.00 27.41 29.32 2k0f h HIS 103 CO 0.01 -0.14 0.60 0.28 -1.30 0.00 0.00 177.93 177.38 2k0f h VAL 104 N -0.10 0.91 -0.08 5.26 2.07 -1.57 -1.72 116.25 121.03 2k0f h VAL 104 Ca 0.02 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2k0f h VAL 104 Cb 0.17 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 2k0f h VAL 104 CO -0.19 0.16 -0.36 0.24 0.02 0.00 0.00 177.57 177.45 2k0f h MET 105 N 0.88 -0.44 -0.45 1.57 2.07 -1.37 -0.29 114.93 116.89 2k0f h MET 105 Ca 0.45 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 58.12 2k0f h MET 105 Cb 0.52 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 2k0f h MET 105 CO -0.22 -0.30 0.29 1.15 1.07 0.00 0.00 176.91 178.91 2k0f h THR 106 N -0.46 1.12 -0.86 2.22 2.02 -1.31 0.97 112.91 116.61 2k0f h THR 106 Ca 0.08 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.08 2k0f h THR 106 Cb 0.58 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2k0f h THR 106 CO -0.34 0.11 0.55 0.78 0.37 0.00 0.00 175.52 176.99 2k0f h ASN 107 N 0.60 0.90 -0.19 4.18 2.35 -1.24 -2.92 115.58 119.26 2k0f h ASN 107 Ca 0.16 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2k0f h ASN 107 Cb -0.06 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2k0f h ASN 107 CO -0.03 0.61 0.10 -0.07 -1.65 0.00 0.00 177.43 176.38 2k0f h LEU 108 N 1.05 0.16 0.00 1.61 3.38 -1.03 -3.40 115.31 117.08 2k0f h LEU 108 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2k0f h LEU 108 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k0f h LEU 108 CO -0.13 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2k0f n GLY 109 N -1.15 0.65 3.26 0.83 0.00 -0.74 -4.87 105.19 103.16 2k0f n GLY 109 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 3.21 -0.65 1.61 2.56 0.26 -4.99 118.70 120.70 2k0f s GLU 110 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 54.97 54.07 2k0f s GLU 110 Cb 0.00 -2.65 0.16 0.00 2.00 0.00 0.00 34.13 33.64 2k0f s GLU 110 CO 0.00 -0.02 0.63 0.15 -0.56 0.00 0.00 175.26 175.46 2k0f s LYS 111 N 0.90 3.22 0.47 4.30 1.02 -1.26 -2.67 119.74 125.72 2k0f s LYS 111 Ca -0.04 -1.91 -0.22 0.00 0.02 0.00 0.00 55.97 53.82 2k0f s LYS 111 Cb -0.15 -4.36 -0.08 0.00 -0.52 0.00 0.00 37.83 32.73 2k0f s LYS 111 CO -0.01 -1.36 1.10 -0.51 -0.92 0.00 0.00 175.35 173.65 2k0f s LEU 112 N 1.29 3.94 0.72 3.17 1.43 -1.26 -5.09 118.68 122.89 2k0f s LEU 112 Ca 0.10 2.14 -0.10 0.00 -1.03 0.00 0.00 54.13 55.24 2k0f s LEU 112 Cb -0.22 -4.38 0.05 0.00 0.03 0.00 0.00 46.19 41.67 2k0f s LEU 112 CO -0.01 -0.87 1.08 0.42 0.23 0.00 0.00 176.35 177.20 2k0f s THR 113 N -1.72 2.71 0.15 5.49 -4.23 -1.26 -4.85 115.64 111.93 2k0f s THR 113 Ca 0.65 0.06 0.17 0.00 -1.18 0.00 0.00 61.69 61.40 2k0f s THR 113 Cb -0.23 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.52 2k0f s THR 113 CO 0.28 -0.23 1.69 0.44 -0.54 0.00 0.00 174.62 176.26 2k0f h ASP 114 N -0.71 0.00 -0.11 3.99 5.19 -1.99 -0.56 116.42 122.23 2k0f h ASP 114 Ca -0.45 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.00 2k0f h ASP 114 Cb 1.30 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.74 2k0f h ASP 114 CO 0.63 0.42 -0.35 -0.33 -3.12 0.00 0.00 179.24 176.49 2k0f h GLU 115 N 0.00 -0.42 -0.36 3.56 3.07 -1.98 -1.34 114.58 117.10 2k0f h GLU 115 Ca -0.00 0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 2k0f h GLU 115 Cb 0.97 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2k0f h GLU 115 CO 0.05 -0.28 -0.43 0.93 -1.40 0.00 0.00 179.01 177.88 2k0f h GLU 116 N -0.44 0.93 -0.07 2.33 5.08 -1.48 -1.43 114.58 119.51 2k0f h GLU 116 Ca 0.09 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2k0f h GLU 116 Cb 0.58 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2k0f h GLU 116 CO -0.36 1.17 -0.13 0.28 -1.00 0.00 0.00 179.01 178.97 2k0f h VAL 117 N 0.75 0.00 -1.01 3.13 2.07 -1.49 -2.35 116.25 117.35 2k0f h VAL 117 Ca 0.05 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.80 2k0f h VAL 117 Cb 1.03 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.69 2k0f h VAL 117 CO 0.10 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 177.52 2k0f h ASP 118 N -0.11 0.69 -0.51 0.57 3.58 -0.57 -1.23 116.42 118.84 2k0f h ASP 118 Ca 0.01 0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 2k0f h ASP 118 Cb 0.15 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2k0f h ASP 118 CO -0.13 0.16 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.23 2k0f h GLU 119 N 0.62 0.96 -0.46 0.28 4.57 -1.31 -2.29 114.58 116.96 2k0f h GLU 119 Ca 0.62 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2k0f h GLU 119 Cb 1.14 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 2k0f h GLU 119 CO -0.43 1.01 0.29 1.98 -1.18 0.00 0.00 179.01 180.69 2k0f h MET 120 N 0.83 0.62 0.71 1.92 4.05 -0.83 0.45 114.93 122.68 2k0f h MET 120 Ca 0.14 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 2k0f h MET 120 Cb 0.63 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2k0f h MET 120 CO 0.04 0.43 -0.39 0.82 0.23 0.00 0.00 176.91 178.04 2k0f h ILE 121 N 0.62 0.00 -0.47 1.77 2.04 -1.21 -2.54 117.51 117.72 2k0f h ILE 121 Ca 0.17 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.16 2k0f h ILE 121 Cb -0.04 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 2k0f h ILE 121 CO -0.03 0.00 0.40 0.03 0.00 0.00 0.00 178.15 178.55 2k0f h ARG 122 N -1.02 0.00 -0.43 2.37 3.08 -1.46 0.28 114.38 117.20 2k0f h ARG 122 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2k0f h ARG 122 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2k0f h ARG 122 CO 0.13 0.00 0.20 1.49 -1.07 0.00 0.00 179.97 180.72 2k0f h GLU 123 N 0.00 0.61 0.30 0.04 4.81 -0.75 -3.32 114.58 116.28 2k0f h GLU 123 Ca 0.22 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 123 Cb 1.02 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2k0f h GLU 123 CO -0.00 0.54 -0.15 0.00 -0.73 0.00 0.00 179.01 178.67 2k0f h ALA 124 N 1.05 -0.41 -1.44 2.92 0.00 -0.96 -3.45 119.26 116.97 2k0f h ALA 124 Ca 0.15 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2k0f h ALA 124 Cb 0.13 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 124 CO -0.02 -0.41 1.26 -3.47 0.00 0.00 0.00 179.25 176.61 2k0f n ASP 125 N -5.05 2.55 -0.08 0.00 2.03 0.02 -4.88 116.55 111.14 2k0f n ASP 125 Ca -0.07 0.64 -0.15 0.00 0.52 0.00 0.00 54.79 55.74 2k0f n ASP 125 Cb 0.22 -1.28 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 2k0f n ASP 125 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k0f h ILE 126 N 6.40 1.03 0.00 5.18 2.04 -1.88 -3.44 117.51 126.84 2k0f h ILE 126 Ca -0.36 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2k0f h ILE 126 Cb 1.30 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2k0f h ILE 126 CO 0.99 0.35 0.00 -0.90 0.00 0.00 0.00 178.15 178.59 2k0f n ASP 127 N -4.56 0.00 0.00 1.72 5.68 -1.26 -4.98 116.55 113.16 2k0f n ASP 127 Ca -0.18 0.82 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2k0f n ASP 127 Cb 0.49 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N -0.51 0.00 0.03 6.12 0.00 -1.26 -5.05 105.19 104.52 2k0f n GLY 128 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.16 -0.31 1.61 5.68 -1.26 -4.96 116.55 117.46 2k0f n ASP 129 Ca 0.00 0.06 -0.03 0.00 -0.50 0.00 0.00 54.79 54.32 2k0f n ASP 129 Cb 0.00 1.67 -0.00 0.00 -1.14 0.00 0.00 41.12 41.64 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.27 0.29 2.89 6.12 0.00 -1.26 -5.05 105.19 109.46 2k0f n GLY 130 Ca -0.05 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.92 0.06 -0.23 1.61 -0.21 -1.26 -4.54 119.66 111.17 2k0f s GLN 131 Ca 0.00 0.29 -0.25 0.00 0.02 0.00 0.00 55.36 55.42 2k0f s GLN 131 Cb 0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 33.01 33.85 2k0f s GLN 131 CO 0.00 -0.14 0.84 0.08 -2.12 0.00 0.00 175.29 173.95 2k0f s VAL 132 N 0.96 4.83 0.71 1.09 1.01 0.01 -4.72 120.40 124.30 2k0f s VAL 132 Ca -0.08 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2k0f s VAL 132 Cb -0.10 -4.13 0.13 0.00 0.00 0.00 0.00 36.38 32.28 2k0f s VAL 132 CO -0.04 -0.07 0.98 0.20 0.00 0.00 0.00 175.10 176.17 2k0f s ASN 133 N 1.31 4.38 0.07 3.32 -0.87 -1.26 0.11 114.94 121.99 2k0f s ASN 133 Ca 0.36 -0.58 -0.37 0.00 -1.57 0.00 0.00 52.86 50.70 2k0f s ASN 133 Cb -0.15 0.25 -0.19 0.00 -0.02 0.00 0.00 41.25 41.14 2k0f s ASN 133 CO 0.08 -1.86 1.57 0.22 -2.57 0.00 0.00 177.10 174.54 2k0f h TYR 134 N -0.44 -1.29 0.00 2.20 3.20 -1.96 -1.87 116.97 116.80 2k0f h TYR 134 Ca -0.33 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2k0f h TYR 134 Cb 1.27 0.46 0.00 0.00 1.54 0.00 0.00 36.73 40.00 2k0f h TYR 134 CO -0.13 -0.72 0.00 1.05 -1.64 0.00 0.00 178.16 176.72 2k0f h GLU 135 N -1.17 0.00 0.13 1.82 4.11 -1.95 -1.69 114.58 115.82 2k0f h GLU 135 Ca -0.10 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.12 2k0f h GLU 135 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 135 CO 0.09 0.00 -0.96 0.93 0.07 0.00 0.00 179.01 179.14 2k0f h GLU 136 N 0.00 0.28 -0.35 1.06 5.08 -1.88 -3.07 114.58 115.70 2k0f h GLU 136 Ca 0.00 -0.48 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 2k0f h GLU 136 Cb 0.04 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 136 CO 0.00 1.23 -0.29 0.35 -1.00 0.00 0.00 179.01 179.30 2k0f h PHE 137 N -0.37 0.87 -0.19 4.33 3.57 -0.81 -1.65 116.94 122.69 2k0f h PHE 137 Ca -0.18 -0.22 -0.14 0.00 3.53 0.00 0.00 57.97 60.95 2k0f h PHE 137 Cb 1.67 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 2k0f h PHE 137 CO 0.18 0.96 -0.47 0.28 -2.23 0.00 0.00 178.31 177.02 2k0f h VAL 138 N 0.64 1.32 -0.60 1.41 2.07 -1.48 -1.96 116.25 117.65 2k0f h VAL 138 Ca 0.08 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 2k0f h VAL 138 Cb 0.82 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2k0f h VAL 138 CO 0.07 0.52 0.17 -0.61 0.02 0.00 0.00 177.57 177.74 2k0f h GLN 139 N 0.41 0.92 0.00 1.57 4.15 -1.38 -1.25 115.11 119.52 2k0f h GLN 139 Ca 0.02 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 2k0f h GLN 139 Cb 0.98 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 2k0f h GLN 139 CO 0.09 0.80 -0.34 1.98 -1.93 0.00 0.00 178.83 179.43 2k0f h MET 140 N 0.89 0.00 0.00 1.69 4.05 -1.35 -3.34 114.93 116.86 2k0f h MET 140 Ca 0.20 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 2k0f h MET 140 Cb 0.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2k0f h MET 140 CO -0.01 0.34 -0.24 1.98 0.23 0.00 0.00 176.91 179.21 2k0f h MET 141 N 0.00 0.00 -0.01 0.39 1.85 -0.48 -3.51 114.93 113.17 2k0f h MET 141 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2k0f h MET 141 Cb 0.63 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.66 2k0f h MET 141 CO 0.04 0.96 0.00 0.25 -0.40 0.00 0.00 176.91 177.77