#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 0.11 -0.28 -0.78 9.09 -2.07 -2.78 114.58 117.88 2k0f h GLU 2 Ca 0.00 -0.03 0.06 0.00 0.05 0.00 0.00 59.36 59.44 2k0f h GLU 2 Cb 0.00 -0.01 -0.07 0.00 -1.65 0.00 0.00 28.75 27.02 2k0f h GLU 2 CO 0.00 0.34 -0.16 1.49 0.05 0.00 0.00 179.01 180.73 2k0f h GLU 3 N 0.10 -0.12 -0.27 1.06 4.81 -2.06 -2.99 114.58 115.11 2k0f h GLU 3 Ca 0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 3 Cb 0.46 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 3 CO 0.03 -0.08 0.13 1.96 -0.73 0.00 0.00 179.01 180.32 2k0f h GLN 4 N -0.13 0.36 -0.70 1.92 4.20 -1.93 -2.33 115.11 116.51 2k0f h GLN 4 Ca 0.15 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2k0f h GLN 4 Cb 0.35 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2k0f h GLN 4 CO -0.36 0.29 0.30 0.82 -0.67 0.00 0.00 178.83 179.21 2k0f h ILE 5 N 0.37 1.24 -0.38 2.54 1.08 -1.49 -0.66 117.51 120.21 2k0f h ILE 5 Ca 0.10 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2k0f h ILE 5 Cb 0.04 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 2k0f h ILE 5 CO -0.01 0.29 0.19 0.00 -0.69 0.00 0.00 178.15 177.93 2k0f h ALA 6 N 1.14 0.49 -0.71 1.87 0.00 -1.46 -2.74 119.26 117.85 2k0f h ALA 6 Ca 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 6 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 6 CO -0.02 0.03 0.41 0.93 0.00 0.00 0.00 179.25 180.60 2k0f h GLU 7 N 0.48 0.97 -0.35 0.00 5.08 -0.87 -1.81 114.58 118.07 2k0f h GLU 7 Ca 0.13 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 7 Cb 0.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k0f h GLU 7 CO -0.02 0.69 -0.11 0.74 -1.00 0.00 0.00 179.01 179.31 2k0f h PHE 8 N 0.98 0.79 -0.64 4.33 0.04 -1.22 -3.15 116.94 118.07 2k0f h PHE 8 Ca 0.25 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb -0.01 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 2k0f h PHE 8 CO 0.00 0.87 0.10 -0.22 -0.60 0.00 0.00 178.31 178.47 2k0f h LYS 9 N 0.49 1.07 -0.95 1.51 3.64 -1.11 -2.77 116.57 118.44 2k0f h LYS 9 Ca 0.09 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2k0f h LYS 9 Cb 0.63 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 2k0f h LYS 9 CO 0.04 0.99 0.62 0.93 -2.27 0.00 0.00 179.45 179.76 2k0f h GLU 10 N 0.98 1.15 0.00 1.90 4.39 -1.40 0.60 114.58 122.21 2k0f h GLU 10 Ca 0.19 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2k0f h GLU 10 Cb 0.44 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k0f h GLU 10 CO 0.01 0.76 0.00 0.00 -1.16 0.00 0.00 179.01 178.63 2k0f h ALA 11 N 1.45 1.00 0.06 3.43 0.00 -1.45 -2.12 119.26 121.63 2k0f h ALA 11 Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.95 2k0f h ALA 11 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 11 CO -0.12 0.00 -1.99 0.34 0.00 0.00 0.00 179.25 177.47 2k0f n PHE 12 N -2.89 0.90 0.39 0.00 -0.00 -0.30 -3.71 117.46 111.86 2k0f n PHE 12 Ca 0.02 0.24 0.13 0.00 -0.00 0.00 0.00 57.45 57.84 2k0f n PHE 12 Cb 0.38 -1.14 0.51 0.00 -0.00 0.00 0.00 39.48 39.23 2k0f n PHE 12 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2k0f h SER 13 N 0.03 0.00 0.39 -2.13 0.02 0.15 0.53 113.55 112.55 2k0f h SER 13 Ca -0.41 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.24 2k0f h SER 13 Cb 2.03 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.60 2k0f h SER 13 CO 0.06 0.00 -1.32 0.25 -1.14 0.00 0.00 176.83 174.67 2k0f h LEU 14 N 0.00 0.68 0.11 5.07 5.85 -1.46 -3.31 115.31 122.25 2k0f h LEU 14 Ca 0.00 -0.70 -0.18 0.00 0.84 0.00 0.00 57.88 57.85 2k0f h LEU 14 Cb 0.39 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 41.22 2k0f h LEU 14 CO 0.00 1.53 -0.77 -0.26 -0.34 0.00 0.00 178.44 178.60 2k0f h PHE 15 N 0.15 0.56 -2.58 1.25 0.04 -1.62 -3.46 116.94 111.28 2k0f h PHE 15 Ca -0.19 -0.38 -0.55 0.00 2.80 0.00 0.00 57.97 59.65 2k0f h PHE 15 Cb 2.02 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 40.14 2k0f h PHE 15 CO 0.10 1.28 1.12 0.34 -0.60 0.00 0.00 178.31 180.54 2k0f s ASP 16 N -6.93 6.60 0.24 2.17 -1.08 0.16 -4.67 116.67 113.17 2k0f s ASP 16 Ca -0.13 2.25 0.19 0.00 -0.52 0.00 0.00 52.55 54.34 2k0f s ASP 16 Cb 0.01 -2.53 0.06 0.00 -1.46 0.00 0.00 42.92 39.00 2k0f s ASP 16 CO 0.83 -0.98 1.21 0.11 0.52 0.00 0.00 175.17 176.86 2k0f h LYS 17 N 9.85 0.00 0.00 4.34 1.57 -1.88 -3.36 116.57 127.09 2k0f h LYS 17 Ca -0.40 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.15 2k0f h LYS 17 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 2k0f h LYS 17 CO 0.96 0.20 -1.29 -0.25 -0.57 0.00 0.00 179.45 178.50 2k0f n ASP 18 N -2.96 1.86 0.00 0.86 8.00 -1.26 -5.03 116.55 118.02 2k0f n ASP 18 Ca -0.01 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2k0f n ASP 18 Cb 0.66 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.43 1.96 0.00 0.44 0.00 -1.26 -5.10 105.19 102.67 2k0f n GLY 19 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.00 -1.05 1.61 5.68 -1.26 -5.04 116.55 116.49 2k0f n ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 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 3.17 -0.51 3.14 6.12 0.00 -1.26 -5.06 105.19 110.79 2k0f n GLY 21 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.01 -0.03 -0.20 2.61 2.01 -1.26 -0.79 115.64 117.98 2k0f s THR 22 Ca 0.00 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2k0f s THR 22 Cb 0.02 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 2k0f s THR 22 CO -0.01 0.04 0.10 0.27 -0.69 0.00 0.00 174.62 174.34 2k0f s ILE 23 N 1.16 5.12 0.44 1.82 -4.36 -0.69 -4.91 121.20 119.78 2k0f s ILE 23 Ca -0.08 0.09 0.03 0.00 -0.26 0.00 0.00 60.65 60.43 2k0f s ILE 23 Cb -0.09 -3.33 0.08 0.00 1.25 0.00 0.00 42.46 40.37 2k0f s ILE 23 CO -0.09 0.43 0.61 0.35 0.24 0.00 0.00 174.94 176.49 2k0f n THR 24 N 3.65 0.00 0.29 8.37 -2.24 -1.26 -2.52 114.28 120.57 2k0f n THR 24 Ca -0.16 -1.16 0.16 0.00 -2.27 0.00 0.00 64.05 60.61 2k0f n THR 24 Cb 0.52 -0.88 0.90 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.26 0.42 0.04 4.28 1.35 -1.94 -0.86 112.91 115.93 2k0f h THR 25 Ca -0.20 -0.21 -0.31 0.00 -0.55 0.00 0.00 66.41 65.14 2k0f h THR 25 Cb 0.83 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 2k0f h THR 25 CO 0.25 0.04 -1.80 0.29 -0.25 0.00 0.00 175.52 174.05 2k0f n LYS 26 N -3.60 0.67 0.05 4.72 5.02 -1.26 0.42 118.16 124.18 2k0f n LYS 26 Ca -0.02 0.28 -0.03 0.00 -2.02 0.00 0.00 58.31 56.52 2k0f n LYS 26 Cb 0.14 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.31 2k0f n LYS 26 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2k0f h GLU 27 N 0.02 0.00 0.00 1.97 5.08 -1.85 -2.33 114.58 117.47 2k0f h GLU 27 Ca -0.33 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 27 Cb 2.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 2k0f h GLU 27 CO 0.08 0.52 -0.37 1.25 -1.00 0.00 0.00 179.01 179.49 2k0f h LEU 28 N 0.00 0.00 -1.37 1.33 5.85 -1.30 -3.39 115.31 116.43 2k0f h LEU 28 Ca -0.12 -0.71 0.25 0.00 0.84 0.00 0.00 57.88 58.14 2k0f h LEU 28 Cb 1.66 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.60 2k0f h LEU 28 CO 0.07 1.07 0.66 1.23 -0.34 0.00 0.00 178.44 181.13 2k0f h GLY 29 N -1.00 1.19 1.07 3.75 0.00 -0.09 -2.23 103.07 105.76 2k0f h GLY 29 Ca -0.10 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 2k0f h GLY 29 CO -0.06 -0.11 -0.30 0.00 0.00 0.00 0.00 176.54 176.07 2k0f h THR 30 N 0.42 1.28 -0.19 4.70 1.03 -1.62 -2.10 112.91 116.43 2k0f h THR 30 Ca 0.57 -1.47 -0.06 0.00 -0.01 0.00 0.00 66.41 65.45 2k0f h THR 30 Cb 1.42 1.39 -0.00 0.00 -1.07 0.00 0.00 68.15 69.88 2k0f h THR 30 CO -0.28 0.49 -0.11 0.58 -0.01 0.00 0.00 175.52 176.18 2k0f h VAL 31 N 0.67 1.32 -0.76 0.00 2.07 -1.67 0.31 116.25 118.19 2k0f h VAL 31 Ca 0.07 -1.20 0.15 0.00 0.82 0.00 0.00 66.70 66.53 2k0f h VAL 31 Cb 0.88 1.70 -0.14 0.00 -1.52 0.00 0.00 31.29 32.21 2k0f h VAL 31 CO 0.08 0.36 -0.23 0.24 0.02 0.00 0.00 177.57 178.04 2k0f h MET 32 N 0.09 -0.03 0.00 1.57 2.86 -1.35 0.02 114.93 118.09 2k0f h MET 32 Ca 0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 0.61 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 32 CO 0.03 -0.02 -0.37 -0.09 1.06 0.00 0.00 176.91 177.53 2k0f h ARG 33 N -0.03 0.00 0.00 1.72 2.43 -0.64 0.17 114.38 118.03 2k0f h ARG 33 Ca 0.35 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2k0f h ARG 33 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2k0f h ARG 33 CO -0.79 0.37 -0.21 0.77 -1.51 0.00 0.00 179.97 178.59 2k0f h SER 34 N 0.00 0.00 0.00 -3.80 0.02 -0.08 -3.38 113.55 106.31 2k0f h SER 34 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k0f h SER 34 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2k0f h SER 34 CO 0.05 0.21 0.00 0.18 -1.14 0.00 0.00 176.83 176.13 2k0f n LEU 35 N -4.10 1.12 0.00 5.07 4.77 -0.09 -4.84 117.00 118.94 2k0f n LEU 35 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2k0f n LEU 35 Cb 0.28 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2k0f n LEU 35 CO 0.35 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2k0f n GLY 36 N 2.18 0.00 3.04 -0.72 0.00 0.47 -5.09 105.19 105.07 2k0f n GLY 36 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.40 -0.47 1.61 0.74 -0.46 -4.98 119.66 117.50 2k0f s GLN 37 Ca 0.00 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 54.96 2k0f s GLN 37 Cb 0.00 -1.22 0.12 0.00 1.10 0.00 0.00 33.01 33.01 2k0f s GLN 37 CO 0.00 0.11 0.29 -0.80 -0.55 0.00 0.00 175.29 174.34 2k0f s ASN 38 N 0.32 5.38 0.59 6.67 0.01 -1.26 -1.83 114.94 124.82 2k0f s ASN 38 Ca -0.07 -2.16 -0.07 0.00 -0.71 0.00 0.00 52.86 49.84 2k0f s ASN 38 Cb -0.12 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 2k0f s ASN 38 CO 0.02 -0.55 0.92 -2.16 -1.51 0.00 0.00 177.10 173.82 2k0f s PRO 39 N 0.96 3.16 0.00 -0.60 0.04 -1.26 -5.07 135.00 132.23 2k0f s PRO 39 Ca 0.09 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 2k0f s PRO 39 Cb -0.23 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2k0f s PRO 39 CO -0.03 -0.62 0.24 0.95 0.04 0.00 0.00 177.00 177.58 2k0f s THR 40 N -3.02 5.34 0.08 1.26 -4.23 -1.26 -5.03 115.64 108.78 2k0f s THR 40 Ca 0.53 0.07 0.21 0.00 -1.18 0.00 0.00 61.69 61.32 2k0f s THR 40 Cb -0.11 -3.56 0.17 0.00 1.34 0.00 0.00 72.50 70.35 2k0f s THR 40 CO 0.47 0.35 1.72 -0.33 -0.54 0.00 0.00 174.62 176.30 2k0f h GLU 41 N 3.92 0.00 0.47 3.99 5.08 -1.98 -0.76 114.58 125.32 2k0f h GLU 41 Ca -0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2k0f h GLU 41 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 41 CO 0.67 0.32 -0.23 0.00 -1.00 0.00 0.00 179.01 178.77 2k0f h ALA 42 N 1.68 -0.64 -0.63 3.43 0.00 -1.99 -2.54 119.26 118.57 2k0f h ALA 42 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 42 Cb 0.92 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2k0f h ALA 42 CO 0.04 -0.75 0.15 0.93 0.00 0.00 0.00 179.25 179.62 2k0f h GLU 43 N -0.85 1.01 0.00 0.00 4.39 -1.97 -2.53 114.58 114.63 2k0f h GLU 43 Ca -0.07 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 2k0f h GLU 43 Cb 0.57 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 43 CO 0.11 0.92 -0.29 1.25 -1.16 0.00 0.00 179.01 179.84 2k0f h LEU 44 N 0.93 0.00 0.00 1.33 5.85 -1.20 0.94 115.31 123.16 2k0f h LEU 44 Ca 0.20 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 44 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2k0f h LEU 44 CO 0.00 0.29 -0.87 0.06 -0.34 0.00 0.00 178.44 177.59 2k0f h GLN 45 N 0.00 0.00 -0.26 1.25 3.07 -1.38 -1.81 115.11 115.98 2k0f h GLN 45 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 2k0f h GLN 45 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 2k0f h GLN 45 CO 0.04 0.55 -0.46 0.22 0.09 0.00 0.00 178.83 179.27 2k0f h ASP 46 N 0.00 0.74 -0.54 0.06 3.58 -1.05 0.25 116.42 119.46 2k0f h ASP 46 Ca -0.05 -0.36 0.08 0.00 0.42 0.00 0.00 57.03 57.11 2k0f h ASP 46 Cb 1.54 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 42.31 2k0f h ASP 46 CO 0.07 1.09 0.19 -0.03 -2.88 0.00 0.00 179.24 177.68 2k0f h MET 47 N 0.55 0.35 -0.07 0.28 4.05 -0.79 -2.97 114.93 116.33 2k0f h MET 47 Ca 0.03 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 2k0f h MET 47 Cb 1.01 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 2k0f h MET 47 CO 0.10 0.23 -0.38 0.82 0.23 0.00 0.00 176.91 177.91 2k0f h ILE 48 N 0.36 1.29 -0.46 1.77 2.04 -1.10 -3.34 117.51 118.07 2k0f h ILE 48 Ca 0.26 -1.40 0.09 0.00 1.00 0.00 0.00 64.86 64.82 2k0f h ILE 48 Cb 0.30 1.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 2k0f h ILE 48 CO -0.27 0.41 -0.03 -1.13 0.00 0.00 0.00 178.15 177.13 2k0f h ASN 49 N 0.13 -0.26 0.01 1.72 -0.73 -0.33 0.54 115.58 116.66 2k0f h ASN 49 Ca 0.01 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 2k0f h ASN 49 Cb 0.73 0.22 -0.00 0.00 0.27 0.00 0.00 38.32 39.54 2k0f h ASN 49 CO 0.06 -0.09 -0.00 -0.08 -0.37 0.00 0.00 177.43 176.94 2k0f h GLU 50 N 0.08 0.00 0.00 6.67 4.81 -1.69 -1.77 114.58 122.68 2k0f h GLU 50 Ca 0.23 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 50 Cb 0.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2k0f h GLU 50 CO -0.41 0.00 -1.42 0.28 -0.73 0.00 0.00 179.01 176.73 2k0f n VAL 51 N -3.74 0.79 -2.08 0.32 0.31 0.17 -4.90 118.33 109.19 2k0f n VAL 51 Ca -0.03 -0.62 -0.41 0.00 -0.01 0.00 0.00 64.34 63.27 2k0f n VAL 51 Cb 0.08 -0.44 -0.02 0.00 -0.91 0.00 0.00 33.84 32.55 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0f s ASP 52 N -5.39 6.74 0.26 4.52 -1.08 -0.33 -4.90 116.67 116.48 2k0f s ASP 52 Ca -0.03 2.61 0.14 0.00 -0.52 0.00 0.00 52.55 54.74 2k0f s ASP 52 Cb 0.10 -2.63 0.11 0.00 -1.46 0.00 0.00 42.92 39.04 2k0f s ASP 52 CO 0.82 -0.62 1.46 0.00 0.52 0.00 0.00 175.17 177.35 2k0f h ALA 53 N 4.73 0.66 0.00 3.66 0.00 -1.91 -3.26 119.26 123.14 2k0f h ALA 53 Ca -0.46 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 53.87 2k0f h ALA 53 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k0f h ALA 53 CO 0.75 0.75 -0.78 -0.44 0.00 0.00 0.00 179.25 179.53 2k0f h ASP 54 N 0.00 0.00 0.00 0.00 3.32 -1.91 -3.48 116.42 114.35 2k0f h ASP 54 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k0f h ASP 54 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2k0f h ASP 54 CO 0.08 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 2k0f n GLY 55 N 1.19 0.42 0.06 2.75 0.00 -1.23 -5.03 105.19 103.35 2k0f n GLY 55 Ca -0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2k0f n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0f n ASN 56 N 1.90 1.37 0.00 1.61 2.85 -1.26 -5.00 115.26 116.72 2k0f n ASN 56 Ca 0.00 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 2k0f n ASN 56 Cb 0.07 -0.73 0.00 0.00 1.24 0.00 0.00 39.78 40.37 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k0f n GLY 57 N 1.57 1.38 3.26 8.20 0.00 -1.26 -4.75 105.19 113.58 2k0f n GLY 57 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 2.25 -0.58 2.61 -4.23 -1.26 -4.53 115.64 107.90 2k0f s THR 58 Ca 0.00 -0.96 -0.22 0.00 -1.18 0.00 0.00 61.69 59.33 2k0f s THR 58 Cb 0.00 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 72.03 2k0f s THR 58 CO 0.00 0.56 0.88 -0.51 -0.54 0.00 0.00 174.62 175.00 2k0f s ILE 59 N 0.25 4.48 0.73 2.99 2.07 -1.05 -4.95 121.20 125.73 2k0f s ILE 59 Ca -0.15 -0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 58.85 2k0f s ILE 59 Cb -0.17 -4.53 0.03 0.00 0.13 0.00 0.00 42.46 37.91 2k0f s ILE 59 CO 0.08 -1.16 1.08 -1.81 -1.91 0.00 0.00 174.94 171.21 2k0f s ASP 60 N 3.10 5.12 0.08 4.50 1.01 -1.26 -1.70 116.67 127.53 2k0f s ASP 60 Ca 0.24 1.39 -0.20 0.00 0.71 0.00 0.00 52.55 54.69 2k0f s ASP 60 Cb -0.16 -2.22 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 2k0f s ASP 60 CO 0.14 -1.58 1.34 0.15 0.21 0.00 0.00 175.17 175.43 2k0f h PHE 61 N -0.82 -1.07 0.00 4.23 3.57 -1.36 -1.52 116.94 119.97 2k0f h PHE 61 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.24 0.50 0.00 0.00 2.79 0.00 0.00 35.95 40.48 2k0f h PHE 61 CO 0.54 -0.30 0.00 -2.30 -2.23 0.00 0.00 178.31 174.02 2k0f n PRO 62 N -4.36 0.13 0.06 6.41 -0.02 -1.26 -1.20 135.00 134.76 2k0f n PRO 62 Ca -0.02 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2k0f n PRO 62 Cb 0.21 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 -0.23 -0.99 -0.52 5.08 -1.75 -2.56 114.58 113.62 2k0f h GLU 63 Ca 0.00 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 63 Cb 0.17 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 63 CO 0.00 0.17 -0.25 0.34 -1.00 0.00 0.00 179.01 178.27 2k0f n PHE 64 N -4.93 0.35 0.09 4.33 -0.00 -0.63 -0.43 117.46 116.24 2k0f n PHE 64 Ca -0.07 1.20 -0.13 0.00 -0.00 0.00 0.00 57.45 58.46 2k0f n PHE 64 Cb 0.25 -1.07 -0.07 0.00 -0.00 0.00 0.00 39.48 38.59 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2k0f h LEU 65 N 0.00 -0.16 -1.70 -2.13 3.38 -1.23 -2.69 115.31 110.79 2k0f h LEU 65 Ca 0.47 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.46 2k0f h LEU 65 Cb 0.72 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2k0f h LEU 65 CO -1.02 -0.10 0.22 0.74 0.09 0.00 0.00 178.44 178.37 2k0f h THR 66 N -0.16 1.07 -0.43 0.22 2.02 -1.00 0.43 112.91 115.05 2k0f h THR 66 Ca -0.01 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2k0f h THR 66 Cb 0.14 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2k0f h THR 66 CO 0.00 0.08 -0.07 -0.03 0.37 0.00 0.00 175.52 175.86 2k0f h MET 67 N 0.41 0.75 -0.07 6.66 1.85 -0.43 -0.67 114.93 123.42 2k0f h MET 67 Ca 0.12 -0.23 -0.08 0.00 -0.61 0.00 0.00 59.70 58.91 2k0f h MET 67 Cb -0.01 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 31.95 2k0f h MET 67 CO -0.03 0.81 -0.25 0.52 -0.40 0.00 0.00 176.91 177.56 2k0f h MET 68 N 0.69 0.30 0.54 0.39 2.07 -1.06 -3.39 114.93 114.47 2k0f h MET 68 Ca 0.12 -0.23 -0.03 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 68 Cb 0.53 0.04 0.01 0.00 -1.87 0.00 0.00 31.60 30.31 2k0f h MET 68 CO 0.03 0.85 -0.26 0.00 1.07 0.00 0.00 176.91 178.61 2k0f h ALA 69 N 0.45 -1.14 -2.57 6.32 0.00 -0.75 -3.43 119.26 118.15 2k0f h ALA 69 Ca -0.01 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 2k0f h ALA 69 Cb 0.88 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2k0f h ALA 69 CO 0.05 -1.08 0.29 0.50 0.00 0.00 0.00 179.25 179.01 2k0f s ARG 70 N -4.48 4.59 0.53 0.00 3.52 -0.28 -5.06 118.95 117.78 2k0f s ARG 70 Ca -0.11 1.29 0.04 0.00 -0.13 0.00 0.00 55.73 56.83 2k0f s ARG 70 Cb 0.01 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2k0f s ARG 70 CO 0.32 0.16 0.26 -1.59 -0.81 0.00 0.00 175.30 173.64 2k0f s LYS 71 N 0.28 2.24 0.00 5.12 -2.85 -1.26 -4.76 119.74 118.50 2k0f s LYS 71 Ca 0.45 -2.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.26 2k0f s LYS 71 Cb -0.22 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 2k0f s LYS 71 CO 0.27 -0.54 0.00 -1.33 0.10 0.00 0.00 175.35 173.85 2k0f n MET 72 N -1.60 0.81 -2.60 1.78 2.81 -1.26 -5.13 117.12 111.93 2k0f n MET 72 Ca -0.08 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.45 2k0f n MET 72 Cb 0.65 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.12 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N 4.62 4.15 0.26 0.03 -2.85 -1.26 -4.96 119.74 119.73 2k0f s LYS 73 Ca 0.00 1.41 0.25 0.00 -1.00 0.00 0.00 55.97 56.64 2k0f s LYS 73 Cb 0.00 -2.44 0.65 0.00 -2.06 0.00 0.00 37.83 33.98 2k0f s LYS 73 CO 0.00 -0.14 1.69 -0.44 0.10 0.00 0.00 175.35 176.57 2k0f h ASP 74 N 2.32 0.00 0.62 0.03 3.32 -2.02 -2.79 116.42 117.90 2k0f h ASP 74 Ca -0.48 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2k0f h ASP 74 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2k0f h ASP 74 CO 0.62 0.01 0.00 0.71 -1.72 0.00 0.00 179.24 178.86 2k0f h THR 75 N 0.00 0.00 0.02 0.35 1.35 -2.02 -2.99 112.91 109.62 2k0f h THR 75 Ca 0.00 -0.31 -0.08 0.00 -0.55 0.00 0.00 66.41 65.47 2k0f h THR 75 Cb 0.81 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2k0f h THR 75 CO 0.00 0.00 -0.34 -0.78 -0.25 0.00 0.00 175.52 174.15 2k0f h ASP 76 N 0.00 0.27 -0.14 5.36 3.58 -1.90 -3.24 116.42 120.35 2k0f h ASP 76 Ca 0.00 -0.82 0.04 0.00 0.42 0.00 0.00 57.03 56.67 2k0f h ASP 76 Cb 0.31 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2k0f h ASP 76 CO 0.00 1.06 0.22 0.28 -2.88 0.00 0.00 179.24 177.92 2k0f h SER 77 N -0.48 0.00 -0.27 2.28 0.02 -1.67 0.06 113.55 113.49 2k0f h SER 77 Ca -0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 77 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2k0f h SER 77 CO 0.07 0.00 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.22 2k0f h GLU 78 N 0.00 0.73 0.09 3.45 4.39 -1.64 -3.03 114.58 118.57 2k0f h GLU 78 Ca 0.07 -0.28 -0.28 0.00 0.34 0.00 0.00 59.36 59.21 2k0f h GLU 78 Cb 0.51 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2k0f h GLU 78 CO -0.00 0.88 -1.47 0.93 -1.16 0.00 0.00 179.01 178.19 2k0f h GLU 79 N 0.64 0.19 -0.62 2.33 5.08 -1.17 -3.30 114.58 117.73 2k0f h GLU 79 Ca 0.09 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 79 Cb 0.70 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2k0f h GLU 79 CO 0.05 1.16 0.37 1.49 -1.00 0.00 0.00 179.01 181.08 2k0f h GLU 80 N -0.38 0.71 0.00 2.33 4.81 -1.34 -0.50 114.58 120.20 2k0f h GLU 80 Ca -0.33 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 58.70 2k0f h GLU 80 Cb 1.71 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 2k0f h GLU 80 CO 0.01 0.47 -1.22 0.82 -0.73 0.00 0.00 179.01 178.36 2k0f h ILE 81 N 0.73 0.58 -0.16 2.32 1.08 -1.75 -1.10 117.51 119.21 2k0f h ILE 81 Ca 0.26 -2.04 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 2k0f h ILE 81 Cb 0.05 2.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2k0f h ILE 81 CO -0.12 0.33 0.03 0.03 -0.69 0.00 0.00 178.15 177.73 2k0f h ARG 82 N 0.00 0.26 -0.67 2.37 3.08 -1.53 0.13 114.38 118.01 2k0f h ARG 82 Ca -0.13 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 2k0f h ARG 82 Cb 1.54 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.53 2k0f h ARG 82 CO 0.05 0.42 0.22 0.93 -1.07 0.00 0.00 179.97 180.52 2k0f h GLU 83 N 0.05 1.01 -0.48 0.04 4.39 -1.16 0.09 114.58 118.53 2k0f h GLU 83 Ca 0.05 -0.20 0.08 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 83 Cb 0.28 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 2k0f h GLU 83 CO 0.00 0.86 0.08 0.00 -1.16 0.00 0.00 179.01 178.79 2k0f h ALA 84 N 1.26 0.52 -0.55 3.43 0.00 -1.08 -3.04 119.26 119.78 2k0f h ALA 84 Ca 0.22 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.35 2k0f h ALA 84 Cb 0.26 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 2k0f h ALA 84 CO -0.01 -0.33 -0.04 0.35 0.00 0.00 0.00 179.25 179.22 2k0f h PHE 85 N 0.21 -0.11 0.00 0.00 3.57 -0.40 -2.47 116.94 117.74 2k0f h PHE 85 Ca 0.24 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2k0f h PHE 85 Cb 0.32 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2k0f h PHE 85 CO -0.24 -0.17 0.00 0.54 -2.23 0.00 0.00 178.31 176.21 2k0f n ARG 86 N -5.29 0.41 -0.11 1.11 1.74 -0.01 -0.96 116.66 113.55 2k0f n ARG 86 Ca 0.07 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.91 2k0f n ARG 86 Cb 0.31 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.40 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f n VAL 87 N 0.43 1.56 -0.03 1.55 0.31 -0.93 -4.48 118.33 116.75 2k0f n VAL 87 Ca 0.00 -0.41 -0.16 0.00 -0.01 0.00 0.00 64.34 63.76 2k0f n VAL 87 Cb 0.13 -1.76 -0.13 0.00 -0.91 0.00 0.00 33.84 31.17 2k0f n VAL 87 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2k0f h PHE 88 N -0.55 0.21 -3.58 3.52 0.04 -1.27 -3.43 116.94 111.89 2k0f h PHE 88 Ca -0.56 -0.14 -0.56 0.00 2.80 0.00 0.00 57.97 59.51 2k0f h PHE 88 Cb 1.70 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.78 2k0f h PHE 88 CO 0.01 1.07 0.98 0.34 -0.60 0.00 0.00 178.31 180.11 2k0f s ASP 89 N -6.45 6.54 -0.13 2.17 2.15 -0.14 -4.68 116.67 116.13 2k0f s ASP 89 Ca -0.17 0.58 -0.08 0.00 0.43 0.00 0.00 52.55 53.31 2k0f s ASP 89 Cb -0.01 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 89 CO 0.74 -1.31 0.06 0.50 -0.17 0.00 0.00 175.17 174.99 2k0f h LYS 90 N 9.71 0.00 0.59 4.34 1.63 -1.86 -3.41 116.57 127.57 2k0f h LYS 90 Ca -0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 2k0f h LYS 90 Cb 1.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2k0f h LYS 90 CO 1.12 0.21 -0.40 0.38 -3.45 0.00 0.00 179.45 177.31 2k0f h ASP 91 N -1.00 -1.04 0.00 4.20 3.04 -1.97 -3.48 116.42 116.17 2k0f h ASP 91 Ca -0.03 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2k0f h ASP 91 Cb 0.39 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 39.00 2k0f h ASP 91 CO -0.02 -0.61 0.00 0.61 -2.04 0.00 0.00 179.24 177.18 2k0f n GLY 92 N -1.53 0.59 0.11 7.15 0.00 -1.26 -5.05 105.19 105.20 2k0f n GLY 92 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.44 1.61 7.08 -1.95 -3.48 115.58 118.40 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.52 0.00 0.61 -2.08 0.00 0.00 177.43 176.48 2k0f n GLY 94 N 1.34 1.01 2.74 9.14 0.00 -1.26 -5.07 105.19 113.09 2k0f n GLY 94 Ca -0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.44 -0.01 -0.34 1.61 2.02 -1.26 -4.53 117.35 112.39 2k0f s TYR 95 Ca 0.00 0.33 -0.26 0.00 -0.37 0.00 0.00 57.07 56.77 2k0f s TYR 95 Cb 0.00 -0.36 0.01 0.00 -0.40 0.00 0.00 41.96 41.21 2k0f s TYR 95 CO 0.00 -0.19 0.91 0.42 -1.57 0.00 0.00 175.55 175.12 2k0f s ILE 96 N 1.93 4.64 0.81 2.71 1.01 -0.68 -4.86 121.20 126.76 2k0f s ILE 96 Ca 0.01 1.27 -0.05 0.00 0.00 0.00 0.00 60.65 61.88 2k0f s ILE 96 Cb -0.12 -4.29 0.17 0.00 0.01 0.00 0.00 42.46 38.22 2k0f s ILE 96 CO -0.04 -0.44 1.11 -0.94 0.00 0.00 0.00 174.94 174.63 2k0f s SER 97 N 1.77 3.83 0.23 3.58 1.04 -1.26 -2.32 113.70 120.57 2k0f s SER 97 Ca 0.37 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.54 2k0f s SER 97 Cb -0.13 0.11 0.22 0.00 0.10 0.00 0.00 66.02 66.32 2k0f s SER 97 CO 0.16 -2.23 1.54 0.00 0.98 0.00 0.00 173.24 173.69 2k0f h ALA 98 N -0.91 0.81 -0.01 5.32 0.00 -1.96 0.85 119.26 123.35 2k0f h ALA 98 Ca -0.37 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 98 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.36 0.75 -0.02 0.00 0.00 0.00 0.00 179.25 180.34 2k0f h ALA 99 N 1.16 0.02 -0.77 0.00 0.00 -1.98 -0.55 119.26 117.14 2k0f h ALA 99 Ca -0.01 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 99 Cb 1.15 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 99 CO 0.10 -0.18 0.37 0.93 0.00 0.00 0.00 179.25 180.48 2k0f h GLU 100 N -0.54 0.57 0.72 0.00 5.08 -1.79 0.70 114.58 119.32 2k0f h GLU 100 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 100 Cb 0.61 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 100 CO 0.00 0.38 -0.36 1.25 -1.00 0.00 0.00 179.01 179.28 2k0f h LEU 101 N 0.59 -0.86 -1.54 1.33 5.85 -0.84 -3.21 115.31 116.64 2k0f h LEU 101 Ca 0.40 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 2k0f h LEU 101 Cb 0.51 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2k0f h LEU 101 CO -0.32 -0.60 0.24 -0.09 -0.34 0.00 0.00 178.44 177.33 2k0f h ARG 102 N -0.99 0.55 -0.30 1.25 2.43 -0.56 -2.23 114.38 114.53 2k0f h ARG 102 Ca -0.10 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2k0f h ARG 102 Cb 0.76 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2k0f h ARG 102 CO 0.15 0.39 0.03 1.25 -1.51 0.00 0.00 179.97 180.29 2k0f h HIS 103 N 0.56 0.54 0.33 2.20 2.76 -0.95 -2.53 115.15 118.07 2k0f h HIS 103 Ca 0.15 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2k0f h HIS 103 Cb -0.01 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.80 2k0f h HIS 103 CO 0.00 0.61 -0.16 0.28 -1.30 0.00 0.00 177.93 177.36 2k0f h VAL 104 N 0.31 0.69 -1.34 5.26 2.07 -1.53 -0.88 116.25 120.84 2k0f h VAL 104 Ca 0.09 -0.33 0.41 0.00 0.82 0.00 0.00 66.70 67.70 2k0f h VAL 104 Cb 0.37 0.86 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 2k0f h VAL 104 CO 0.01 0.07 0.89 0.24 0.02 0.00 0.00 177.57 178.79 2k0f h MET 105 N -0.63 0.11 0.03 1.57 2.07 -1.45 0.38 114.93 117.02 2k0f h MET 105 Ca -0.05 -0.01 -0.08 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 105 Cb 0.45 -0.03 0.01 0.00 -1.87 0.00 0.00 31.60 30.16 2k0f h MET 105 CO 0.08 0.07 -0.33 1.15 1.07 0.00 0.00 176.91 178.95 2k0f h THR 106 N 0.12 1.61 -0.78 2.22 2.02 -1.17 -0.08 112.91 116.84 2k0f h THR 106 Ca 0.77 -2.21 0.05 0.00 0.77 0.00 0.00 66.41 65.79 2k0f h THR 106 Cb 2.51 3.05 -0.05 0.00 -1.74 0.00 0.00 68.15 71.92 2k0f h THR 106 CO -0.31 0.60 0.48 0.78 0.37 0.00 0.00 175.52 177.44 2k0f h ASN 107 N -0.60 0.76 -0.03 4.18 2.35 -0.69 -2.70 115.58 118.85 2k0f h ASN 107 Ca -0.05 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 2k0f h ASN 107 Cb 1.17 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 2k0f h ASN 107 CO 0.06 0.50 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.72 2k0f h LEU 108 N 0.90 0.68 0.00 1.61 3.38 -0.22 -3.44 115.31 118.22 2k0f h LEU 108 Ca 0.33 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 108 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k0f h LEU 108 CO -0.15 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.08 2k0f n GLY 109 N 0.28 1.15 3.77 0.83 0.00 -0.40 -4.94 105.19 105.88 2k0f n GLY 109 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.02 3.93 -1.15 1.61 0.41 -0.18 -5.01 118.70 118.28 2k0f s GLU 110 Ca 0.00 -0.20 -0.05 0.00 -0.41 0.00 0.00 54.97 54.31 2k0f s GLU 110 Cb 0.00 -3.33 0.26 0.00 -1.78 0.00 0.00 34.13 29.28 2k0f s GLU 110 CO 0.00 0.46 1.73 1.63 -0.49 0.00 0.00 175.26 178.58 2k0f n LYS 111 N 3.02 4.44 -1.73 1.61 5.02 -1.26 -4.54 118.16 124.72 2k0f n LYS 111 Ca -0.17 -4.21 -0.31 0.00 -2.02 0.00 0.00 58.31 51.59 2k0f n LYS 111 Cb 0.53 -2.62 0.04 0.00 -0.02 0.00 0.00 35.03 32.96 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -2.32 3.24 0.00 -0.35 1.43 -1.26 -5.11 118.68 114.31 2k0f s LEU 112 Ca 0.37 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 2k0f s LEU 112 Cb 0.10 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.83 2k0f s LEU 112 CO 0.03 -1.32 0.11 0.35 0.23 0.00 0.00 176.35 175.74 2k0f n THR 113 N -2.79 0.00 0.17 5.49 -2.24 -1.26 -5.02 114.28 108.63 2k0f n THR 113 Ca 0.08 -0.67 0.06 0.00 -2.27 0.00 0.00 64.05 61.24 2k0f n THR 113 Cb 0.53 -0.30 0.18 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.22 0.00 -0.16 3.42 3.32 -1.99 -2.70 116.42 118.53 2k0f h ASP 114 Ca -0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2k0f h ASP 114 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2k0f h ASP 114 CO 0.17 0.37 0.02 -0.33 -1.72 0.00 0.00 179.24 177.76 2k0f h GLU 115 N 0.00 0.26 0.00 3.56 3.07 -1.99 -1.07 114.58 118.41 2k0f h GLU 115 Ca -0.00 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.70 2k0f h GLU 115 Cb 1.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 2k0f h GLU 115 CO 0.05 0.44 -0.38 0.93 -1.40 0.00 0.00 179.01 178.65 2k0f h GLU 116 N 0.04 0.00 0.02 2.33 4.39 -1.96 -2.90 114.58 116.50 2k0f h GLU 116 Ca 0.05 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.52 2k0f h GLU 116 Cb 0.31 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2k0f h GLU 116 CO 0.00 0.38 -0.90 0.28 -1.16 0.00 0.00 179.01 177.61 2k0f h VAL 117 N 0.00 1.34 -0.58 3.13 2.07 -1.31 -2.74 116.25 118.16 2k0f h VAL 117 Ca -0.00 -2.22 0.08 0.00 0.82 0.00 0.00 66.70 65.38 2k0f h VAL 117 Cb 0.90 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 33.13 2k0f h VAL 117 CO 0.05 0.67 0.25 -0.78 0.02 0.00 0.00 177.57 177.78 2k0f h ASP 118 N 0.18 0.29 -0.46 0.57 3.58 -1.28 -2.64 116.42 116.67 2k0f h ASP 118 Ca -0.12 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 2k0f h ASP 118 Cb 1.58 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.63 2k0f h ASP 118 CO 0.18 0.19 0.09 -0.08 -2.88 0.00 0.00 179.24 176.74 2k0f h GLU 119 N 0.46 0.76 -0.84 0.28 4.81 -1.43 -1.00 114.58 117.62 2k0f h GLU 119 Ca 0.28 -0.19 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 119 Cb 0.29 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 2k0f h GLU 119 CO -0.25 0.76 0.46 0.52 -0.73 0.00 0.00 179.01 179.77 2k0f h MET 120 N 0.63 0.70 -0.22 1.92 2.86 -1.51 0.90 114.93 120.22 2k0f h MET 120 Ca 0.14 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 120 Cb 0.36 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2k0f h MET 120 CO 0.01 0.47 -0.09 0.82 1.06 0.00 0.00 176.91 179.17 2k0f h ILE 121 N 0.72 1.30 -0.57 -1.22 2.04 -1.05 -1.72 117.51 117.01 2k0f h ILE 121 Ca 0.43 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 65.20 2k0f h ILE 121 Cb 0.50 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 2k0f h ILE 121 CO -0.30 0.35 0.31 -0.09 0.00 0.00 0.00 178.15 178.42 2k0f h ARG 122 N 0.15 0.58 -0.27 2.37 2.43 -1.05 -1.02 114.38 117.58 2k0f h ARG 122 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 122 Cb 0.57 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k0f h ARG 122 CO 0.03 0.38 0.07 1.49 -1.51 0.00 0.00 179.97 180.43 2k0f h GLU 123 N 0.60 0.42 0.02 0.20 4.81 -0.77 -3.24 114.58 116.62 2k0f h GLU 123 Ca 0.25 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2k0f h GLU 123 Cb 0.12 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 2k0f h GLU 123 CO -0.15 0.51 -0.27 0.00 -0.73 0.00 0.00 179.01 178.37 2k0f h ALA 124 N 0.90 -0.39 -2.64 2.92 0.00 -1.19 -3.45 119.26 115.40 2k0f h ALA 124 Ca 0.08 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.47 2k0f h ALA 124 Cb 0.27 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k0f h ALA 124 CO -0.00 -0.78 0.33 0.34 0.00 0.00 0.00 179.25 179.13 2k0f s ASP 125 N -4.87 7.51 -0.21 0.00 2.15 -0.40 -4.79 116.67 116.06 2k0f s ASP 125 Ca -0.15 1.80 -0.19 0.00 0.43 0.00 0.00 52.55 54.43 2k0f s ASP 125 Cb 0.09 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.97 2k0f s ASP 125 CO 0.66 0.03 0.09 -0.38 -0.17 0.00 0.00 175.17 175.39 2k0f n ILE 126 N 2.32 1.52 0.00 4.11 5.41 -1.26 -4.82 119.36 126.65 2k0f n ILE 126 Ca 0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.70 2k0f n ILE 126 Cb 0.49 -2.06 -0.00 0.00 -0.71 0.00 0.00 39.64 37.35 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 -1.00 -0.04 0.00 4.38 3.04 -1.94 -3.49 116.42 117.36 2k0f h ASP 127 Ca -0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 2k0f h ASP 127 Cb 1.27 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2k0f h ASP 127 CO -0.22 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.74 2k0f n GLY 128 N 1.61 -0.01 0.15 7.15 0.00 -1.26 -5.02 105.19 107.81 2k0f n GLY 128 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.49 1.61 3.04 -1.98 -3.47 116.42 115.13 2k0f h ASP 129 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 2k0f h ASP 129 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 2k0f h ASP 129 CO 0.00 0.44 -0.11 0.61 -2.04 0.00 0.00 179.24 178.14 2k0f n GLY 130 N 1.19 0.44 3.25 7.15 0.00 -1.26 -5.05 105.19 110.92 2k0f n GLY 130 Ca 0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.40 2.62 -0.30 1.61 -0.21 -1.26 -4.88 119.66 113.83 2k0f s GLN 131 Ca 0.00 -0.88 -0.18 0.00 0.02 0.00 0.00 55.36 54.32 2k0f s GLN 131 Cb 0.00 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.83 2k0f s GLN 131 CO 0.00 0.33 0.51 0.08 -2.12 0.00 0.00 175.29 174.09 2k0f s VAL 132 N -0.04 5.05 0.32 1.09 1.01 -0.98 -4.89 120.40 121.96 2k0f s VAL 132 Ca -0.07 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.60 2k0f s VAL 132 Cb -0.15 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.40 2k0f s VAL 132 CO 0.05 -0.04 0.39 -0.46 0.00 0.00 0.00 175.10 175.03 2k0f n ASN 133 N 5.63 1.39 0.13 3.32 0.23 -1.26 -1.69 115.26 123.01 2k0f n ASN 133 Ca -0.04 -1.91 0.04 0.00 -0.53 0.00 0.00 54.58 52.14 2k0f n ASN 133 Cb 0.49 -0.18 0.46 0.00 -2.08 0.00 0.00 39.78 38.47 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N 0.20 0.25 -0.00 -2.53 3.20 -1.98 -1.80 116.97 114.30 2k0f h TYR 134 Ca -0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2k0f h TYR 134 Cb 0.70 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2k0f h TYR 134 CO 0.00 0.27 -0.54 0.39 -1.64 0.00 0.00 178.16 176.64 2k0f n GLU 135 N -4.38 0.02 0.07 1.82 1.02 -1.26 -1.15 120.64 116.77 2k0f n GLU 135 Ca -0.00 -0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 2k0f n GLU 135 Cb 0.18 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2k0f n GLU 135 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k0f h GLU 136 N 0.03 0.00 0.00 3.49 5.08 -1.83 -3.30 114.58 118.05 2k0f h GLU 136 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 136 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 136 CO 0.00 0.30 -0.09 0.35 -1.00 0.00 0.00 179.01 178.57 2k0f h PHE 137 N 0.00 0.00 -0.18 4.33 3.04 -1.16 -3.34 116.94 119.63 2k0f h PHE 137 Ca -0.11 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.63 2k0f h PHE 137 Cb 1.47 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.98 2k0f h PHE 137 CO 0.00 0.00 -0.71 0.28 -2.02 0.00 0.00 178.31 175.86 2k0f h VAL 138 N -0.92 1.29 -0.76 1.41 2.07 -1.33 -2.71 116.25 115.29 2k0f h VAL 138 Ca 0.00 -1.92 0.22 0.00 0.82 0.00 0.00 66.70 65.82 2k0f h VAL 138 Cb 0.09 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2k0f h VAL 138 CO 0.00 0.61 0.59 -0.61 0.02 0.00 0.00 177.57 178.17 2k0f h GLN 139 N 0.55 0.00 0.00 1.57 4.15 -1.80 -0.02 115.11 119.56 2k0f h GLN 139 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2k0f h GLN 139 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2k0f h GLN 139 CO 0.15 0.00 0.00 1.98 -1.93 0.00 0.00 178.83 179.03 2k0f h MET 140 N 0.00 0.00 0.00 1.69 4.05 -1.60 -2.73 114.93 116.34 2k0f h MET 140 Ca 0.36 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 2k0f h MET 140 Cb 1.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 2k0f h MET 140 CO -0.00 0.00 -0.78 -1.33 0.23 0.00 0.00 176.91 175.02 2k0f n MET 141 N -2.76 0.13 0.00 0.39 2.81 -0.05 -5.12 117.12 112.53 2k0f n MET 141 Ca 0.03 0.01 0.15 0.00 -1.81 0.00 0.00 57.70 56.08 2k0f n MET 141 Cb 0.40 -1.55 0.73 0.00 -0.71 0.00 0.00 33.22 32.10 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73