#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 -0.02 -0.78 9.09 -2.05 -1.42 114.58 119.40 2k0f h GLU 2 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 2k0f h GLU 2 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.12 2k0f h GLU 2 CO 0.00 0.00 -0.98 1.05 0.05 0.00 0.00 179.01 179.13 2k0f h GLU 3 N 0.00 0.65 0.20 1.06 9.09 -2.05 -2.63 114.58 120.90 2k0f h GLU 3 Ca 0.00 -0.67 -0.01 0.00 0.05 0.00 0.00 59.36 58.73 2k0f h GLU 3 Cb 0.01 0.18 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2k0f h GLU 3 CO 0.00 1.27 -0.10 0.37 0.05 0.00 0.00 179.01 180.60 2k0f h GLN 4 N 0.38 -0.26 -0.97 1.06 4.15 -1.70 -2.15 115.11 115.61 2k0f h GLN 4 Ca -0.11 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 4 Cb 1.63 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 29.23 2k0f h GLN 4 CO 0.19 -0.06 -0.43 0.82 -1.93 0.00 0.00 178.83 177.42 2k0f h ILE 5 N -0.43 0.01 -0.75 2.39 1.08 -1.58 -1.91 117.51 116.32 2k0f h ILE 5 Ca -0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.52 2k0f h ILE 5 Cb 0.33 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.04 2k0f h ILE 5 CO 0.05 0.00 0.49 0.00 -0.69 0.00 0.00 178.15 178.00 2k0f h ALA 6 N 1.15 1.74 0.71 1.87 0.00 -1.26 -0.78 119.26 122.68 2k0f h ALA 6 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2k0f h ALA 6 Cb 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 6 CO -0.96 0.12 -0.34 1.49 0.00 0.00 0.00 179.25 179.56 2k0f h GLU 7 N 0.73 -0.92 0.00 0.00 4.81 -0.69 -2.07 114.58 116.44 2k0f h GLU 7 Ca 0.33 0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 7 Cb 0.35 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 7 CO -0.12 -0.59 -0.46 0.27 -0.73 0.00 0.00 179.01 177.38 2k0f h PHE 8 N -1.07 0.00 -0.28 0.92 -5.15 -1.02 0.34 116.94 110.69 2k0f h PHE 8 Ca -0.10 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.50 2k0f h PHE 8 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.92 2k0f h PHE 8 CO -0.01 0.46 -0.50 -0.22 -2.00 0.00 0.00 178.31 176.05 2k0f h LYS 9 N 0.00 0.83 0.00 6.09 1.63 -1.21 -0.81 116.57 123.10 2k0f h LYS 9 Ca -0.00 -0.52 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2k0f h LYS 9 Cb 0.93 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2k0f h LYS 9 CO 0.06 1.15 0.00 1.49 -3.45 0.00 0.00 179.45 178.70 2k0f h GLU 10 N 0.59 0.00 0.01 1.90 4.81 -1.19 -0.49 114.58 120.22 2k0f h GLU 10 Ca 0.02 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 10 Cb 1.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2k0f h GLU 10 CO 0.11 0.00 -0.89 0.00 -0.73 0.00 0.00 179.01 177.50 2k0f h ALA 11 N 2.06 0.53 -0.11 2.92 0.00 -0.64 -3.22 119.26 120.80 2k0f h ALA 11 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 53.98 2k0f h ALA 11 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 11 CO 0.00 1.04 -0.58 0.35 0.00 0.00 0.00 179.25 180.06 2k0f h PHE 12 N 0.03 0.44 0.00 0.00 3.57 -0.34 -2.87 116.94 117.77 2k0f h PHE 12 Ca -0.02 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2k0f h PHE 12 Cb 1.56 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.22 2k0f h PHE 12 CO 0.01 0.84 0.00 0.43 -2.23 0.00 0.00 178.31 177.36 2k0f n SER 13 N -3.91 0.11 0.19 0.41 7.64 -0.27 -1.66 113.62 116.13 2k0f n SER 13 Ca -0.03 0.55 0.05 0.00 1.01 0.00 0.00 58.87 60.46 2k0f n SER 13 Cb 0.60 -0.57 0.35 0.00 -1.01 0.00 0.00 64.21 63.58 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.00 0.05 -3.43 3.38 -1.55 -3.36 115.31 110.40 2k0f h LEU 14 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2k0f h LEU 14 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2k0f h LEU 14 CO 0.00 0.39 -2.00 0.49 0.09 0.00 0.00 178.44 177.40 2k0f n PHE 15 N -3.64 0.72 -2.52 1.13 3.01 -0.66 -4.68 117.46 110.81 2k0f n PHE 15 Ca -0.01 0.21 -0.41 0.00 1.01 0.00 0.00 57.45 58.26 2k0f n PHE 15 Cb 0.49 -1.09 -0.03 0.00 -0.01 0.00 0.00 39.48 38.84 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 -6.96 6.20 0.15 4.37 2.15 -1.16 -4.67 116.67 116.75 2k0f s ASP 16 Ca -0.30 -0.71 -0.07 0.00 0.43 0.00 0.00 52.55 51.90 2k0f s ASP 16 Cb 0.08 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 16 CO 0.64 -1.78 1.42 0.11 -0.17 0.00 0.00 175.17 175.39 2k0f h LYS 17 N 10.20 0.66 0.00 4.34 1.79 -1.89 -3.35 116.57 128.32 2k0f h LYS 17 Ca -0.13 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 2k0f h LYS 17 Cb 1.04 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2k0f h LYS 17 CO 1.32 1.09 0.00 -0.40 -1.08 0.00 0.00 179.45 180.38 2k0f n ASP 18 N -3.94 0.00 0.00 0.86 5.68 -1.26 -5.04 116.55 112.84 2k0f n ASP 18 Ca -0.05 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 2k0f n ASP 18 Cb 0.66 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 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 0.74 0.00 0.00 6.12 0.00 -1.26 -5.05 105.19 105.75 2k0f n GLY 19 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.67 0.00 1.61 5.68 -1.26 -4.97 116.55 118.27 2k0f n ASP 20 Ca 0.00 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 2k0f n ASP 20 Cb 0.00 1.47 0.00 0.00 -1.14 0.00 0.00 41.12 41.45 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 1.41 0.71 2.95 6.12 0.00 -1.26 -5.02 105.19 110.11 2k0f n GLY 21 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.14 2.05 -0.16 2.61 -4.23 -1.26 -4.22 115.64 108.29 2k0f s THR 22 Ca 0.00 -2.31 -0.29 0.00 -1.18 0.00 0.00 61.69 57.90 2k0f s THR 22 Cb 0.00 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 2k0f s THR 22 CO 0.00 -0.65 1.05 -0.63 -0.54 0.00 0.00 174.62 173.86 2k0f s ILE 23 N 0.86 4.66 0.68 2.99 1.01 -1.08 -4.94 121.20 125.39 2k0f s ILE 23 Ca 0.12 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.75 2k0f s ILE 23 Cb -0.20 -4.27 0.12 0.00 0.01 0.00 0.00 42.46 38.12 2k0f s ILE 23 CO -0.10 -0.08 0.94 0.42 0.00 0.00 0.00 174.94 176.13 2k0f s THR 24 N 2.61 2.13 0.30 2.92 -4.23 -1.26 -3.61 115.64 114.50 2k0f s THR 24 Ca 0.48 -0.70 0.31 0.00 -1.18 0.00 0.00 61.69 60.59 2k0f s THR 24 Cb -0.18 -2.43 0.33 0.00 1.34 0.00 0.00 72.50 71.57 2k0f s THR 24 CO 0.13 0.00 2.04 0.71 -0.54 0.00 0.00 174.62 176.96 2k0f h THR 25 N -0.35 0.31 0.15 3.99 1.35 -1.96 -2.00 112.91 114.40 2k0f h THR 25 Ca -0.34 -0.58 -0.30 0.00 -0.55 0.00 0.00 66.41 64.64 2k0f h THR 25 Cb 1.27 1.44 0.03 0.00 -1.73 0.00 0.00 68.15 69.16 2k0f h THR 25 CO 0.40 0.09 -1.25 0.11 -0.25 0.00 0.00 175.52 174.62 2k0f h LYS 26 N 0.00 0.58 0.03 4.72 1.79 -1.97 0.64 116.57 122.36 2k0f h LYS 26 Ca -0.00 -0.83 -0.23 0.00 -2.18 0.00 0.00 60.65 57.41 2k0f h LYS 26 Cb 0.43 0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2k0f h LYS 26 CO 0.01 1.38 -0.99 0.93 -1.08 0.00 0.00 179.45 179.70 2k0f h GLU 27 N 0.18 0.31 -0.65 3.15 5.08 -1.86 0.10 114.58 120.89 2k0f h GLU 27 Ca -0.20 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 2k0f h GLU 27 Cb 1.94 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.28 2k0f h GLU 27 CO 0.24 1.08 0.14 -0.07 -1.00 0.00 0.00 179.01 179.41 2k0f h LEU 28 N 0.15 0.98 -0.89 1.33 3.38 -1.38 -1.59 115.31 117.29 2k0f h LEU 28 Ca -0.08 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 2k0f h LEU 28 Cb 1.65 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2k0f h LEU 28 CO 0.16 0.95 -0.52 1.23 0.09 0.00 0.00 178.44 180.35 2k0f h GLY 29 N 1.05 0.09 0.96 0.83 0.00 -0.53 0.13 103.07 105.60 2k0f h GLY 29 Ca 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2k0f h GLY 29 CO 0.00 0.09 -0.32 -0.84 0.00 0.00 0.00 176.54 175.47 2k0f h THR 30 N 0.07 0.34 -0.60 4.70 2.02 -0.68 -2.05 112.91 116.72 2k0f h THR 30 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2k0f h THR 30 Cb 0.95 0.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.61 2k0f h THR 30 CO 0.07 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.66 2k0f h VAL 31 N -0.87 0.63 -0.16 3.16 2.07 -1.07 -1.66 116.25 118.35 2k0f h VAL 31 Ca -0.08 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2k0f h VAL 31 Cb 0.68 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2k0f h VAL 31 CO 0.12 0.05 -0.02 0.24 0.02 0.00 0.00 177.57 177.98 2k0f h MET 32 N 0.25 0.03 0.00 1.57 2.86 -0.75 -1.08 114.93 117.80 2k0f h MET 32 Ca 0.31 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2k0f h MET 32 Cb 0.47 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2k0f h MET 32 CO -0.41 0.02 -0.02 -0.09 1.06 0.00 0.00 176.91 177.48 2k0f h ARG 33 N 0.03 0.00 -0.02 1.72 9.65 -1.11 -0.33 114.38 124.32 2k0f h ARG 33 Ca 0.08 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.74 2k0f h ARG 33 Cb 0.10 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2k0f h ARG 33 CO -0.14 0.02 -0.88 0.77 2.80 0.00 0.00 179.97 182.53 2k0f h SER 34 N 0.00 0.48 0.00 -3.80 0.02 -0.24 -3.31 113.55 106.70 2k0f h SER 34 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2k0f h SER 34 Cb 0.29 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k0f h SER 34 CO 0.00 1.16 0.00 0.18 -1.14 0.00 0.00 176.83 177.03 2k0f n LEU 35 N -3.76 2.37 0.00 5.07 4.77 -1.03 -4.65 117.00 119.77 2k0f n LEU 35 Ca -0.06 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2k0f n LEU 35 Cb 0.80 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2k0f n LEU 35 CO 0.50 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2k0f n GLY 36 N 1.99 -1.86 3.13 -0.72 0.00 -0.84 -5.08 105.19 101.81 2k0f n GLY 36 Ca 0.00 0.84 -0.09 0.00 0.00 0.00 0.00 46.02 46.76 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 0.74 -0.30 1.61 -0.21 -0.19 -4.98 119.66 116.32 2k0f s GLN 37 Ca 0.00 -1.28 -0.00 0.00 0.02 0.00 0.00 55.36 54.10 2k0f s GLN 37 Cb 0.00 -0.04 0.10 0.00 1.00 0.00 0.00 33.01 34.07 2k0f s GLN 37 CO 0.00 -0.05 0.08 1.21 -2.12 0.00 0.00 175.29 174.41 2k0f s ASN 38 N -2.97 4.05 0.70 5.90 2.47 -1.26 -3.52 114.94 120.30 2k0f s ASN 38 Ca 0.09 -1.63 -0.05 0.00 0.42 0.00 0.00 52.86 51.69 2k0f s ASN 38 Cb 0.06 -0.94 0.07 0.00 -1.45 0.00 0.00 41.25 38.99 2k0f s ASN 38 CO -0.07 -0.40 0.99 -2.16 -3.72 0.00 0.00 177.10 171.75 2k0f s PRO 39 N 1.55 2.12 0.28 0.43 0.04 -1.26 -5.13 135.00 133.03 2k0f s PRO 39 Ca 0.09 -0.42 0.11 0.00 0.04 0.00 0.00 61.00 60.82 2k0f s PRO 39 Cb -0.17 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2k0f s PRO 39 CO -0.22 -1.24 -0.13 -0.08 0.04 0.00 0.00 177.00 175.37 2k0f s THR 40 N -3.20 2.79 0.10 1.26 -1.32 -1.26 -5.00 115.64 109.02 2k0f s THR 40 Ca 0.61 -2.23 -0.26 0.00 -1.21 0.00 0.00 61.69 58.60 2k0f s THR 40 Cb -0.10 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.31 2k0f s THR 40 CO 0.44 -0.38 1.43 -0.08 -2.21 0.00 0.00 174.62 173.82 2k0f h GLU 41 N 2.13 -0.29 0.10 7.08 4.81 -1.98 0.10 114.58 126.54 2k0f h GLU 41 Ca -0.41 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 41 Cb 1.26 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 2k0f h GLU 41 CO 0.61 -0.19 -0.33 0.00 -0.73 0.00 0.00 179.01 178.37 2k0f h ALA 42 N -0.28 -0.55 -0.72 2.92 0.00 -1.98 0.12 119.26 118.77 2k0f h ALA 42 Ca 0.06 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 42 Cb 0.46 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2k0f h ALA 42 CO -0.49 -0.87 -0.23 -1.91 0.00 0.00 0.00 179.25 175.75 2k0f n GLU 43 N -5.42 -0.12 -0.05 0.00 2.13 -1.20 -1.63 120.64 114.35 2k0f n GLU 43 Ca -0.06 1.11 -0.11 0.00 0.66 0.00 0.00 57.16 58.75 2k0f n GLU 43 Cb 0.33 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.33 2k0f n GLU 43 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2k0f h LEU 44 N 0.00 0.28 -1.62 4.31 5.85 0.18 -2.73 115.31 121.58 2k0f h LEU 44 Ca 0.29 -0.26 0.15 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 44 Cb 0.47 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2k0f h LEU 44 CO -0.73 0.48 0.49 -0.61 -0.34 0.00 0.00 178.44 177.73 2k0f h GLN 45 N 0.08 0.36 -0.69 1.25 5.75 -0.69 0.46 115.11 121.63 2k0f h GLN 45 Ca 0.05 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2k0f h GLN 45 Cb 0.31 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2k0f h GLN 45 CO 0.00 0.24 0.28 0.22 -2.65 0.00 0.00 178.83 176.93 2k0f h ASP 46 N 0.37 0.95 -0.65 -0.69 3.58 -1.17 0.28 116.42 119.09 2k0f h ASP 46 Ca 0.35 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 2k0f h ASP 46 Cb 0.85 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 2k0f h ASP 46 CO -0.10 0.85 0.18 0.24 -2.88 0.00 0.00 179.24 177.53 2k0f h MET 47 N 0.98 1.03 -0.10 0.28 2.86 -0.61 -2.97 114.93 116.40 2k0f h MET 47 Ca 0.23 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 47 Cb 0.20 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 47 CO -0.02 0.91 0.01 0.82 1.06 0.00 0.00 176.91 179.69 2k0f h ILE 48 N 0.95 1.24 -1.08 -1.22 1.08 -1.22 -3.15 117.51 114.11 2k0f h ILE 48 Ca 0.21 -0.75 0.34 0.00 -0.39 0.00 0.00 64.86 64.27 2k0f h ILE 48 Cb 0.33 1.54 -0.13 0.00 -3.07 0.00 0.00 36.82 35.48 2k0f h ILE 48 CO -0.00 0.21 0.65 0.78 -0.69 0.00 0.00 178.15 179.10 2k0f h ASN 49 N -0.09 0.45 -0.07 1.72 4.21 -0.32 0.37 115.58 121.85 2k0f h ASN 49 Ca 0.03 0.16 -0.10 0.00 1.21 0.00 0.00 56.30 57.60 2k0f h ASN 49 Cb 0.33 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2k0f h ASN 49 CO 0.00 -0.11 -0.34 -0.08 -1.29 0.00 0.00 177.43 175.61 2k0f h GLU 50 N 0.29 0.35 0.00 0.81 4.81 -1.48 -3.33 114.58 116.03 2k0f h GLU 50 Ca 0.73 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2k0f h GLU 50 Cb 1.84 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.28 2k0f h GLU 50 CO -0.51 0.93 -0.57 1.33 -0.73 0.00 0.00 179.01 179.46 2k0f n VAL 51 N -4.40 0.00 -2.02 0.32 0.24 -0.72 -4.78 118.33 106.96 2k0f n VAL 51 Ca -0.08 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 2k0f n VAL 51 Cb 0.52 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -3.02 6.68 0.00 -1.34 2.15 0.12 -4.92 116.67 116.35 2k0f s ASP 52 Ca 0.11 2.24 0.00 0.00 0.43 0.00 0.00 52.55 55.32 2k0f s ASP 52 Cb 0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2k0f s ASP 52 CO 0.72 -0.90 0.00 0.00 -0.17 0.00 0.00 175.17 174.82 2k0f n ALA 53 N 6.88 0.00 -0.06 3.66 0.00 -1.26 -4.80 120.51 124.93 2k0f n ALA 53 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k0f n ALA 53 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.71 0.00 0.00 0.00 5.68 -1.26 -4.94 116.55 114.32 2k0f n ASP 54 Ca 0.00 0.97 0.00 0.00 -0.50 0.00 0.00 54.79 55.26 2k0f n ASP 54 Cb 0.00 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 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 -0.99 -0.70 0.09 6.12 0.00 -1.26 -5.04 105.19 103.40 2k0f n GLY 55 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 7.08 -1.97 -3.47 115.58 118.83 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.85 0.00 0.61 -2.08 0.00 0.00 177.43 176.81 2k0f n GLY 57 N 1.21 2.77 3.95 9.14 0.00 -1.26 -5.04 105.19 115.95 2k0f n GLY 57 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.80 4.39 0.08 2.61 -4.23 -1.26 -4.76 115.64 109.67 2k0f s THR 58 Ca 0.00 -0.44 -0.23 0.00 -1.18 0.00 0.00 61.69 59.84 2k0f s THR 58 Cb 0.00 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 70.16 2k0f s THR 58 CO 0.00 -0.44 0.70 -0.51 -0.54 0.00 0.00 174.62 173.84 2k0f s ILE 59 N -2.50 4.65 0.43 2.99 2.07 -1.24 -4.91 121.20 122.69 2k0f s ILE 59 Ca 0.46 1.51 0.07 0.00 -1.41 0.00 0.00 60.65 61.28 2k0f s ILE 59 Cb -0.10 -4.05 -0.02 0.00 0.13 0.00 0.00 42.46 38.41 2k0f s ILE 59 CO 0.38 0.46 0.31 -1.81 -1.91 0.00 0.00 174.94 172.37 2k0f s ASP 60 N -0.61 4.77 0.24 4.50 1.11 -1.26 -2.62 116.67 122.81 2k0f s ASP 60 Ca 0.35 -0.93 0.01 0.00 0.18 0.00 0.00 52.55 52.16 2k0f s ASP 60 Cb -0.21 -0.41 0.29 0.00 1.07 0.00 0.00 42.92 43.66 2k0f s ASP 60 CO 0.22 -0.67 1.62 0.15 1.18 0.00 0.00 175.17 177.67 2k0f h PHE 61 N 1.13 0.53 0.00 4.23 3.57 -1.98 -2.40 116.94 122.03 2k0f h PHE 61 Ca -0.41 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 60.93 2k0f h PHE 61 Cb 1.27 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2k0f h PHE 61 CO 0.61 0.80 0.00 -1.35 -2.23 0.00 0.00 178.31 176.14 2k0f h PRO 62 N 0.37 0.00 0.05 6.41 0.11 -1.97 -2.88 132.00 134.09 2k0f h PRO 62 Ca 0.03 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 2k0f h PRO 62 Cb 0.89 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.01 2k0f h PRO 62 CO 0.07 0.00 -0.57 0.93 -0.21 0.00 0.00 178.00 178.22 2k0f h GLU 63 N 0.00 0.30 -0.94 1.05 5.08 -1.85 -0.71 114.58 117.51 2k0f h GLU 63 Ca 0.00 -0.39 0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2k0f h GLU 63 Cb 0.79 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.99 2k0f h GLU 63 CO 0.00 1.11 -0.28 0.35 -1.00 0.00 0.00 179.01 179.19 2k0f h PHE 64 N -0.33 -0.69 -0.04 4.33 3.57 -1.46 -1.48 116.94 120.84 2k0f h PHE 64 Ca -0.09 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 64 Cb 1.35 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 2k0f h PHE 64 CO 0.18 -0.40 -0.16 1.25 -2.23 0.00 0.00 178.31 176.95 2k0f h LEU 65 N -0.01 -0.50 -0.97 0.59 5.85 -1.35 -2.21 115.31 116.71 2k0f h LEU 65 Ca 0.41 0.06 0.31 0.00 0.84 0.00 0.00 57.88 59.50 2k0f h LEU 65 Cb 0.66 0.19 -0.16 0.00 0.37 0.00 0.00 40.66 41.72 2k0f h LEU 65 CO -0.96 -0.14 0.40 0.74 -0.34 0.00 0.00 178.44 178.14 2k0f h THR 66 N -0.17 0.20 -0.24 1.05 2.02 -0.90 0.42 112.91 115.30 2k0f h THR 66 Ca 0.01 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 2k0f h THR 66 Cb 0.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2k0f h THR 66 CO -0.13 0.03 -0.43 -0.03 0.37 0.00 0.00 175.52 175.34 2k0f h MET 67 N 0.18 0.71 0.14 6.66 1.85 -1.19 -2.92 114.93 120.35 2k0f h MET 67 Ca 0.69 -0.45 -0.29 0.00 -0.61 0.00 0.00 59.70 59.05 2k0f h MET 67 Cb 1.60 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.68 2k0f h MET 67 CO -0.70 1.07 -1.33 0.52 -0.40 0.00 0.00 176.91 176.07 2k0f h MET 68 N 0.43 0.29 0.00 0.39 2.07 -1.14 -3.30 114.93 113.67 2k0f h MET 68 Ca 0.01 -0.49 -0.00 0.00 -2.07 0.00 0.00 59.70 57.15 2k0f h MET 68 Cb 1.03 0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 30.94 2k0f h MET 68 CO 0.10 1.21 -0.02 0.00 1.07 0.00 0.00 176.91 179.27 2k0f h ALA 69 N 0.53 1.06 -2.40 6.32 0.00 -0.14 -3.42 119.26 121.20 2k0f h ALA 69 Ca -0.17 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 69 Cb 2.00 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.81 2k0f h ALA 69 CO 0.20 0.03 1.12 0.50 0.00 0.00 0.00 179.25 181.10 2k0f s ARG 70 N -4.00 4.16 -0.43 0.00 3.52 -1.11 -4.93 118.95 116.16 2k0f s ARG 70 Ca -0.02 2.47 -0.16 0.00 -0.13 0.00 0.00 55.73 57.89 2k0f s ARG 70 Cb 0.12 -3.85 0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2k0f s ARG 70 CO 0.49 -0.86 0.38 0.21 -0.81 0.00 0.00 175.30 174.71 2k0f s LYS 71 N 3.51 3.02 0.68 5.12 2.20 -1.26 -5.04 119.74 127.96 2k0f s LYS 71 Ca 0.81 -1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 2k0f s LYS 71 Cb -0.41 -4.01 0.01 0.00 -1.51 0.00 0.00 37.83 31.90 2k0f s LYS 71 CO 0.36 -0.86 1.06 -1.64 -0.36 0.00 0.00 175.35 173.92 2k0f s MET 72 N 1.86 2.95 0.95 4.03 -1.94 -1.26 -5.06 119.30 120.83 2k0f s MET 72 Ca 0.07 0.44 -0.12 0.00 -1.71 0.00 0.00 55.69 54.37 2k0f s MET 72 Cb -0.19 -2.06 0.09 0.00 2.01 0.00 0.00 34.83 34.68 2k0f s MET 72 CO 0.11 -0.94 0.70 0.36 -0.01 0.00 0.00 175.02 175.24 2k0f n LYS 73 N -2.92 -0.48 0.24 2.03 2.85 -1.26 -4.72 118.16 113.90 2k0f n LYS 73 Ca 0.06 -0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.34 2k0f n LYS 73 Cb 0.57 -2.06 0.59 0.00 -0.65 0.00 0.00 35.03 33.48 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N -1.75 0.00 -0.15 -5.58 3.32 -1.98 -0.51 116.42 109.76 2k0f h ASP 74 Ca -0.44 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.44 2k0f h ASP 74 Cb 1.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 2k0f h ASP 74 CO 0.37 0.18 -0.56 0.71 -1.72 0.00 0.00 179.24 178.22 2k0f h THR 75 N 0.00 1.32 0.00 0.35 1.35 -1.99 -0.89 112.91 113.05 2k0f h THR 75 Ca -0.00 -1.82 -0.10 0.00 -0.55 0.00 0.00 66.41 63.94 2k0f h THR 75 Cb 0.53 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 2k0f h THR 75 CO 0.02 0.56 -0.48 0.44 -0.25 0.00 0.00 175.52 175.82 2k0f h ASP 76 N 0.32 0.00 -0.03 5.36 3.32 -1.76 -2.50 116.42 121.14 2k0f h ASP 76 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2k0f h ASP 76 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2k0f h ASP 76 CO 0.12 0.48 -0.01 0.28 -1.72 0.00 0.00 179.24 178.39 2k0f h SER 77 N 0.00 0.05 -1.02 6.45 0.02 -1.02 -1.55 113.55 116.49 2k0f h SER 77 Ca -0.00 -0.39 0.29 0.00 -0.84 0.00 0.00 61.79 60.85 2k0f h SER 77 Cb 0.95 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 63.34 2k0f h SER 77 CO 0.06 0.43 0.60 -0.08 -1.14 0.00 0.00 176.83 176.70 2k0f h GLU 78 N -0.32 0.41 0.06 3.45 4.81 -1.13 -2.42 114.58 119.43 2k0f h GLU 78 Ca 0.01 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 2k0f h GLU 78 Cb 0.41 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 78 CO 0.00 0.27 -1.07 1.49 -0.73 0.00 0.00 179.01 178.98 2k0f h GLU 79 N 0.42 0.19 -0.77 1.92 4.81 -1.40 -2.13 114.58 117.61 2k0f h GLU 79 Ca 0.70 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2k0f h GLU 79 Cb 1.53 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.96 2k0f h GLU 79 CO -0.53 1.09 0.51 1.49 -0.73 0.00 0.00 179.01 180.84 2k0f h GLU 80 N 0.07 0.96 0.66 1.92 4.81 -0.79 0.55 114.58 122.76 2k0f h GLU 80 Ca -0.08 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 80 Cb 1.77 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 30.94 2k0f h GLU 80 CO 0.16 0.64 -0.32 0.82 -0.73 0.00 0.00 179.01 179.58 2k0f h ILE 81 N 0.99 0.00 -0.89 2.32 2.04 -1.48 -1.99 117.51 118.49 2k0f h ILE 81 Ca 0.30 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.23 2k0f h ILE 81 Cb -0.02 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.93 2k0f h ILE 81 CO -0.08 0.00 -0.52 0.03 0.00 0.00 0.00 178.15 177.58 2k0f h ARG 82 N -0.91 -0.06 -0.91 2.37 3.08 -1.18 0.49 114.38 117.25 2k0f h ARG 82 Ca -0.09 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.18 2k0f h ARG 82 Cb 0.68 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.62 2k0f h ARG 82 CO 0.15 -0.04 0.42 1.49 -1.07 0.00 0.00 179.97 180.92 2k0f h GLU 83 N -0.07 0.42 -0.00 0.04 4.57 -1.02 -1.96 114.58 116.56 2k0f h GLU 83 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2k0f h GLU 83 Cb 0.49 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2k0f h GLU 83 CO -0.89 0.28 -0.12 0.00 -1.18 0.00 0.00 179.01 177.10 2k0f n ALA 84 N -2.47 2.67 0.14 2.92 0.00 0.49 -3.04 120.51 121.22 2k0f n ALA 84 Ca 0.23 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2k0f n ALA 84 Cb 0.66 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 2k0f n ALA 84 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0f h PHE 85 N 0.11 -0.43 0.00 0.00 3.57 0.62 -3.24 116.94 117.56 2k0f h PHE 85 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 85 Cb 0.44 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2k0f h PHE 85 CO 0.00 -0.25 0.00 2.89 -2.23 0.00 0.00 178.31 178.72 2k0f n ARG 86 N -5.29 0.45 0.04 1.11 1.85 -1.17 -1.51 116.66 112.14 2k0f n ARG 86 Ca -0.08 0.03 -0.21 0.00 -1.00 0.00 0.00 57.85 56.59 2k0f n ARG 86 Cb 0.21 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.97 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 0.00 1.32 0.21 8.89 2.07 -1.68 -3.37 116.25 123.69 2k0f h VAL 87 Ca 0.00 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.02 2k0f h VAL 87 Cb 0.04 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2k0f h VAL 87 CO 0.00 0.72 -0.17 -0.26 0.02 0.00 0.00 177.57 177.88 2k0f h PHE 88 N -0.31 -0.43 -2.48 1.57 0.04 -1.39 -3.41 116.94 110.52 2k0f h PHE 88 Ca -0.21 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.00 2k0f h PHE 88 Cb 1.72 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 40.03 2k0f h PHE 88 CO 0.17 -0.25 1.25 0.34 -0.60 0.00 0.00 178.31 179.22 2k0f s ASP 89 N -4.87 6.13 -0.14 2.17 -1.08 -1.08 -4.61 116.67 113.20 2k0f s ASP 89 Ca -0.15 1.90 -0.23 0.00 -0.52 0.00 0.00 52.55 53.55 2k0f s ASP 89 Cb 0.06 -2.53 -0.25 0.00 -1.46 0.00 0.00 42.92 38.74 2k0f s ASP 89 CO 0.65 -1.42 0.57 0.50 0.52 0.00 0.00 175.17 175.99 2k0f h LYS 90 N 11.93 0.10 0.03 4.34 1.63 -1.84 -3.36 116.57 129.41 2k0f h LYS 90 Ca -0.39 -0.17 -0.27 0.00 -0.85 0.00 0.00 60.65 58.97 2k0f h LYS 90 Cb 1.19 0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2k0f h LYS 90 CO 0.98 1.08 -1.07 0.38 -3.45 0.00 0.00 179.45 177.37 2k0f h ASP 91 N -0.74 0.82 0.00 4.20 3.04 -1.92 -3.48 116.42 118.35 2k0f h ASP 91 Ca -0.20 -0.69 0.00 0.00 -3.24 0.00 0.00 57.03 52.91 2k0f h ASP 91 Cb 1.37 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 2k0f h ASP 91 CO -0.02 1.49 0.00 0.61 -2.04 0.00 0.00 179.24 179.28 2k0f n GLY 92 N 1.13 0.85 0.24 7.15 0.00 -1.26 -5.01 105.19 108.29 2k0f n GLY 92 Ca -0.11 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.93 -3.46 115.58 110.74 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 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.29 2k0f h ASN 93 CO 0.00 0.16 0.00 0.61 0.07 0.00 0.00 177.43 178.27 2k0f n GLY 94 N -0.91 1.10 2.79 9.14 0.00 -1.26 -5.12 105.19 110.94 2k0f n GLY 94 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.07 -0.15 1.61 1.51 -1.26 -4.48 117.35 112.65 2k0f s TYR 95 Ca 0.00 0.09 -0.18 0.00 -1.01 0.00 0.00 57.07 55.97 2k0f s TYR 95 Cb 0.00 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.58 2k0f s TYR 95 CO 0.00 -0.08 0.48 0.42 -1.11 0.00 0.00 175.55 175.26 2k0f s ILE 96 N 0.90 5.16 -0.01 2.71 1.01 -0.29 -4.77 121.20 125.90 2k0f s ILE 96 Ca -0.08 0.93 -0.06 0.00 0.00 0.00 0.00 60.65 61.44 2k0f s ILE 96 Cb -0.11 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2k0f s ILE 96 CO -0.02 0.27 0.25 -0.44 0.00 0.00 0.00 174.94 174.99 2k0f s SER 97 N 0.85 6.48 0.25 3.58 0.01 -1.26 -2.44 113.70 121.16 2k0f s SER 97 Ca 0.25 0.53 -0.13 0.00 1.31 0.00 0.00 55.95 57.91 2k0f s SER 97 Cb -0.15 -2.08 0.33 0.00 0.21 0.00 0.00 66.02 64.33 2k0f s SER 97 CO 0.10 0.28 1.56 0.00 0.41 0.00 0.00 173.24 175.58 2k0f h ALA 98 N 4.11 0.37 -0.46 1.44 0.00 -1.98 0.18 119.26 122.93 2k0f h ALA 98 Ca -0.51 0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 98 Cb 1.20 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2k0f h ALA 98 CO 0.65 -0.52 0.10 0.00 0.00 0.00 0.00 179.25 179.48 2k0f h ALA 99 N 1.64 0.61 -0.59 0.00 0.00 -1.95 0.15 119.26 119.11 2k0f h ALA 99 Ca 0.40 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2k0f h ALA 99 Cb 0.65 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 99 CO -1.01 0.31 0.10 0.93 0.00 0.00 0.00 179.25 179.58 2k0f h GLU 100 N 0.62 0.22 0.32 0.00 5.08 -1.70 -1.56 114.58 117.56 2k0f h GLU 100 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 100 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 100 CO 0.00 0.14 -0.16 1.25 -1.00 0.00 0.00 179.01 179.25 2k0f h LEU 101 N 0.23 -0.37 -0.31 1.33 5.85 -0.61 -1.91 115.31 119.52 2k0f h LEU 101 Ca 0.31 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2k0f h LEU 101 Cb 0.46 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 2k0f h LEU 101 CO -0.42 0.04 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.32 2k0f h ARG 102 N -0.85 -0.28 -0.15 1.25 2.43 -0.76 -1.91 114.38 114.12 2k0f h ARG 102 Ca -0.04 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2k0f h ARG 102 Cb 0.52 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2k0f h ARG 102 CO 0.07 -0.18 -0.26 1.25 -1.51 0.00 0.00 179.97 179.34 2k0f h HIS 103 N -0.29 0.29 -0.20 2.20 2.76 -1.27 -0.32 115.15 118.31 2k0f h HIS 103 Ca 0.15 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 2k0f h HIS 103 Cb 0.53 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 2k0f h HIS 103 CO -0.49 0.51 -0.22 -0.24 -1.30 0.00 0.00 177.93 176.19 2k0f h VAL 104 N 0.24 1.33 -0.41 5.26 3.04 -1.22 -2.83 116.25 121.67 2k0f h VAL 104 Ca 0.04 -1.40 -0.14 0.00 -1.01 0.00 0.00 66.70 64.19 2k0f h VAL 104 Cb 0.59 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2k0f h VAL 104 CO 0.04 0.43 -0.29 0.24 -1.01 0.00 0.00 177.57 176.98 2k0f h MET 105 N 0.18 0.88 -0.79 4.17 2.86 -1.21 0.15 114.93 121.16 2k0f h MET 105 Ca 0.03 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.23 2k0f h MET 105 Cb 0.78 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 2k0f h MET 105 CO 0.05 1.05 0.34 1.15 1.06 0.00 0.00 176.91 180.56 2k0f h THR 106 N 0.75 1.25 0.01 2.22 2.02 -1.09 -1.74 112.91 116.33 2k0f h THR 106 Ca 0.09 -0.77 -0.21 0.00 0.77 0.00 0.00 66.41 66.29 2k0f h THR 106 Cb 0.84 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2k0f h THR 106 CO 0.07 0.32 -0.91 0.78 0.37 0.00 0.00 175.52 176.15 2k0f h ASN 107 N 1.13 0.35 0.31 4.18 2.35 -1.21 -3.33 115.58 119.35 2k0f h ASN 107 Ca 0.27 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 2k0f h ASN 107 Cb 0.17 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2k0f h ASN 107 CO -0.03 1.09 -0.39 0.25 -1.65 0.00 0.00 177.43 176.70 2k0f h LEU 108 N 0.15 0.12 0.00 1.61 7.12 -0.55 -3.47 115.31 120.29 2k0f h LEU 108 Ca -0.06 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.91 2k0f h LEU 108 Cb 1.54 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 2k0f h LEU 108 CO 0.14 0.50 0.00 0.61 -0.13 0.00 0.00 178.44 179.57 2k0f n GLY 109 N -0.32 0.32 3.89 3.75 0.00 -0.73 -4.80 105.19 107.29 2k0f n GLY 109 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 3.58 -0.25 1.61 0.41 -0.74 -4.97 118.70 118.35 2k0f s GLU 110 Ca 0.00 0.48 0.02 0.00 -0.41 0.00 0.00 54.97 55.06 2k0f s GLU 110 Cb 0.00 -2.23 0.06 0.00 -1.78 0.00 0.00 34.13 30.18 2k0f s GLU 110 CO 0.00 -0.38 -0.10 -1.59 -0.49 0.00 0.00 175.26 172.70 2k0f s LYS 111 N -4.94 2.13 0.38 1.61 -2.85 -1.26 -4.17 119.74 110.64 2k0f s LYS 111 Ca 0.51 -1.21 0.04 0.00 -1.00 0.00 0.00 55.97 54.32 2k0f s LYS 111 Cb -0.11 -2.77 -0.01 0.00 -2.06 0.00 0.00 37.83 32.88 2k0f s LYS 111 CO 0.49 -0.55 0.54 -0.51 0.10 0.00 0.00 175.35 175.42 2k0f s LEU 112 N 1.20 3.86 0.00 2.77 1.43 -1.26 -5.12 118.68 121.56 2k0f s LEU 112 Ca -0.07 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2k0f s LEU 112 Cb -0.19 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 2k0f s LEU 112 CO -0.06 -0.53 0.12 0.35 0.23 0.00 0.00 176.35 176.46 2k0f n THR 113 N -1.80 0.00 -0.03 5.49 -2.24 -1.26 -5.02 114.28 109.43 2k0f n THR 113 Ca 0.00 -2.17 -0.16 0.00 -2.27 0.00 0.00 64.05 59.45 2k0f n THR 113 Cb 0.58 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 1.44 0.92 -0.97 3.42 5.19 -2.01 -1.57 116.42 122.84 2k0f h ASP 114 Ca -0.30 -0.58 0.22 0.00 -0.62 0.00 0.00 57.03 55.74 2k0f h ASP 114 Cb 1.11 -0.27 -0.18 0.00 0.18 0.00 0.00 39.33 40.17 2k0f h ASP 114 CO 0.48 1.38 -0.16 -0.62 -3.12 0.00 0.00 179.24 177.19 2k0f n GLU 115 N -3.94 -0.08 -0.03 3.56 4.71 -1.26 -0.66 120.64 122.94 2k0f n GLU 115 Ca -0.07 1.50 -0.15 0.00 -0.01 0.00 0.00 57.16 58.43 2k0f n GLU 115 Cb 0.72 -2.28 -0.11 0.00 -1.01 0.00 0.00 31.44 28.76 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 116 N 0.00 0.14 -0.23 3.49 5.08 -1.90 -3.06 114.58 118.10 2k0f h GLU 116 Ca 0.50 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 2k0f h GLU 116 Cb 0.86 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2k0f h GLU 116 CO -0.97 0.88 -0.18 0.28 -1.00 0.00 0.00 179.01 178.02 2k0f h VAL 117 N -0.54 0.51 -0.31 3.13 2.07 -1.23 -0.42 116.25 119.46 2k0f h VAL 117 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 117 Cb 0.95 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 2k0f h VAL 117 CO 0.04 0.00 -0.33 -0.78 0.02 0.00 0.00 177.57 176.52 2k0f h ASP 118 N -0.18 -1.08 -0.21 0.57 3.58 -1.03 0.11 116.42 118.18 2k0f h ASP 118 Ca 0.13 0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.82 2k0f h ASP 118 Cb 0.38 0.49 -0.06 0.00 1.72 0.00 0.00 39.33 41.86 2k0f h ASP 118 CO -0.34 -0.34 -0.17 -0.08 -2.88 0.00 0.00 179.24 175.43 2k0f h GLU 119 N -0.31 -0.17 -0.39 0.28 4.81 -1.41 -2.82 114.58 114.58 2k0f h GLU 119 Ca 0.14 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 119 Cb 0.54 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 119 CO -0.48 -0.11 0.17 1.98 -0.73 0.00 0.00 179.01 179.83 2k0f h MET 120 N -0.18 0.34 -0.80 1.92 4.05 -0.56 -1.42 114.93 118.29 2k0f h MET 120 Ca 0.12 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2k0f h MET 120 Cb 0.36 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 2k0f h MET 120 CO -0.31 0.22 0.48 0.82 0.23 0.00 0.00 176.91 178.35 2k0f h ILE 121 N 0.35 1.22 -0.06 1.77 1.08 -0.75 -3.21 117.51 117.92 2k0f h ILE 121 Ca 0.17 -0.49 -0.12 0.00 -0.39 0.00 0.00 64.86 64.03 2k0f h ILE 121 Cb 0.12 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 2k0f h ILE 121 CO -0.15 0.23 -0.51 -0.09 -0.69 0.00 0.00 178.15 176.95 2k0f h ARG 122 N 1.10 0.15 -0.02 2.37 2.43 -1.19 -0.72 114.38 118.50 2k0f h ARG 122 Ca 0.29 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2k0f h ARG 122 Cb -0.04 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2k0f h ARG 122 CO -0.05 0.62 -0.34 1.49 -1.51 0.00 0.00 179.97 180.17 2k0f h GLU 123 N 0.12 0.03 0.00 0.20 4.81 -1.27 -3.25 114.58 115.22 2k0f h GLU 123 Ca 0.00 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 123 Cb 0.94 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2k0f h GLU 123 CO 0.07 0.37 -0.70 0.00 -0.73 0.00 0.00 179.01 178.03 2k0f h ALA 124 N 1.63 0.10 -2.39 2.92 0.00 -1.61 -3.48 119.26 116.44 2k0f h ALA 124 Ca 0.00 -0.73 -0.54 0.00 0.00 0.00 0.00 54.91 53.65 2k0f h ALA 124 Cb 0.62 0.49 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 124 CO 0.05 0.48 1.04 0.34 0.00 0.00 0.00 179.25 181.15 2k0f s ASP 125 N -6.20 6.62 0.00 0.00 2.15 -0.28 -4.90 116.67 114.05 2k0f s ASP 125 Ca -0.19 2.42 0.15 0.00 0.43 0.00 0.00 52.55 55.35 2k0f s ASP 125 Cb 0.03 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 125 CO 0.39 -0.90 0.79 0.00 -0.17 0.00 0.00 175.17 175.27 2k0f n ILE 126 N 5.00 0.00 0.03 4.11 0.13 -1.26 -4.56 119.36 122.81 2k0f n ILE 126 Ca 0.16 -0.34 -0.22 0.00 -1.10 0.00 0.00 62.75 61.26 2k0f n ILE 126 Cb 0.41 1.16 -0.14 0.00 -0.84 0.00 0.00 39.64 40.23 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2k0f h ASP 127 N 1.53 0.47 0.00 9.51 3.32 -1.91 -3.48 116.42 125.86 2k0f h ASP 127 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.16 2k0f h ASP 127 Cb 0.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k0f h ASP 127 CO 0.00 1.65 0.00 0.61 -1.72 0.00 0.00 179.24 179.78 2k0f n GLY 128 N 1.77 1.34 0.06 2.75 0.00 -1.26 -5.02 105.19 104.83 2k0f n GLY 128 Ca -0.24 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.31 0.55 0.00 1.61 5.75 -1.26 -4.94 116.55 118.57 2k0f n ASP 129 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 2k0f n ASP 129 Cb 0.04 0.97 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.26 0.89 3.52 6.12 0.00 -1.26 -5.08 105.19 110.64 2k0f n GLY 130 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 1.77 -0.13 1.61 -0.21 -1.26 -4.23 119.66 116.50 2k0f s GLN 131 Ca 0.00 -1.99 0.02 0.00 0.02 0.00 0.00 55.36 53.42 2k0f s GLN 131 Cb 0.00 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.81 2k0f s GLN 131 CO 0.00 -0.12 -0.21 0.08 -2.12 0.00 0.00 175.29 172.92 2k0f s VAL 132 N -3.04 2.15 0.43 1.09 1.01 -1.02 -4.61 120.40 116.40 2k0f s VAL 132 Ca 0.36 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.45 2k0f s VAL 132 Cb 0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2k0f s VAL 132 CO 0.16 0.55 0.18 0.54 0.00 0.00 0.00 175.10 176.53 2k0f s ASN 133 N 0.71 4.40 0.19 3.32 2.20 -1.26 -1.14 114.94 123.36 2k0f s ASN 133 Ca -0.09 -1.13 -0.16 0.00 -0.94 0.00 0.00 52.86 50.53 2k0f s ASN 133 Cb -0.16 -0.36 0.16 0.00 -2.00 0.00 0.00 41.25 38.90 2k0f s ASN 133 CO 0.01 -0.60 1.64 1.88 -2.94 0.00 0.00 177.10 177.09 2k0f h TYR 134 N 1.38 -0.36 -0.95 1.54 0.05 -1.99 -1.46 116.97 115.18 2k0f h TYR 134 Ca -0.42 0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.42 2k0f h TYR 134 Cb 1.26 0.24 -0.05 0.00 1.01 0.00 0.00 36.73 39.19 2k0f h TYR 134 CO 0.71 -0.25 0.63 0.93 -1.05 0.00 0.00 178.16 179.12 2k0f h GLU 135 N -0.03 1.23 -0.20 4.88 4.39 -1.98 0.36 114.58 123.23 2k0f h GLU 135 Ca 0.25 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 135 Cb 0.41 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k0f h GLU 135 CO -0.55 0.81 0.04 0.93 -1.16 0.00 0.00 179.01 179.08 2k0f h GLU 136 N 1.27 0.33 -0.65 2.33 5.08 -1.80 -2.30 114.58 118.84 2k0f h GLU 136 Ca 0.36 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 136 Cb -0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2k0f h GLU 136 CO -0.09 0.48 0.24 0.35 -1.00 0.00 0.00 179.01 178.99 2k0f h PHE 137 N 0.13 1.01 -0.01 4.33 3.57 -0.28 -2.42 116.94 123.27 2k0f h PHE 137 Ca 0.06 -0.08 -0.23 0.00 3.53 0.00 0.00 57.97 61.25 2k0f h PHE 137 Cb 0.31 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2k0f h PHE 137 CO 0.02 0.80 -0.94 -0.24 -2.23 0.00 0.00 178.31 175.72 2k0f h VAL 138 N 0.92 1.38 -0.40 1.41 3.04 -0.32 0.38 116.25 122.66 2k0f h VAL 138 Ca 0.21 -2.40 -0.05 0.00 -1.01 0.00 0.00 66.70 63.44 2k0f h VAL 138 Cb 0.24 2.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 2k0f h VAL 138 CO -0.01 0.72 0.03 -0.61 -1.01 0.00 0.00 177.57 176.69 2k0f h GLN 139 N 0.26 0.68 0.30 4.17 5.75 -1.45 -3.07 115.11 121.74 2k0f h GLN 139 Ca -0.08 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 2k0f h GLN 139 Cb 1.58 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.06 2k0f h GLN 139 CO 0.17 0.75 -0.15 1.98 -2.65 0.00 0.00 178.83 178.93 2k0f h MET 140 N 0.52 -0.39 0.00 1.69 4.05 -1.32 -3.35 114.93 116.13 2k0f h MET 140 Ca 0.12 0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.46 2k0f h MET 140 Cb 0.42 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2k0f h MET 140 CO 0.01 -0.20 -0.86 0.52 0.23 0.00 0.00 176.91 176.61 2k0f h MET 141 N -0.49 0.00 0.00 0.39 2.86 -1.06 -3.51 114.93 113.12 2k0f h MET 141 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 141 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2k0f h MET 141 CO 0.07 0.29 0.00 2.41 1.06 0.00 0.00 176.91 180.74