#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 0.27 -0.23 -0.78 4.81 -2.05 -1.22 114.58 115.38 2k0f h GLU 2 Ca 0.00 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 2 Cb 0.00 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2k0f h GLU 2 CO 0.00 0.18 -0.53 1.49 -0.73 0.00 0.00 179.01 179.41 2k0f h GLU 3 N 0.27 0.69 -0.24 1.92 4.81 -2.06 -1.80 114.58 118.17 2k0f h GLU 3 Ca 0.26 -0.42 -0.20 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 3 Cb 0.34 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2k0f h GLU 3 CO -0.32 1.04 -0.62 1.96 -0.73 0.00 0.00 179.01 180.34 2k0f h GLN 4 N 0.53 0.84 -0.33 1.92 4.20 -1.91 -2.36 115.11 118.00 2k0f h GLN 4 Ca 0.01 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.10 2k0f h GLN 4 Cb 1.10 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2k0f h GLN 4 CO 0.11 1.21 0.03 -0.84 -0.67 0.00 0.00 178.83 178.66 2k0f h ILE 5 N 0.62 1.25 -0.95 2.54 3.07 -1.21 -2.77 117.51 120.06 2k0f h ILE 5 Ca -0.01 -0.88 0.11 0.00 1.55 0.00 0.00 64.86 65.63 2k0f h ILE 5 Cb 1.24 1.18 -0.07 0.00 -0.27 0.00 0.00 36.82 38.90 2k0f h ILE 5 CO 0.13 0.29 0.60 0.00 -1.05 0.00 0.00 178.15 178.13 2k0f h ALA 6 N 0.87 1.61 -0.56 0.16 0.00 -1.28 0.28 119.26 120.35 2k0f h ALA 6 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 6 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 6 CO 0.01 0.18 0.34 1.49 0.00 0.00 0.00 179.25 181.26 2k0f h GLU 7 N 0.92 0.76 0.00 0.00 4.81 -1.43 -2.92 114.58 116.71 2k0f h GLU 7 Ca 0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2k0f h GLU 7 Cb 0.48 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 7 CO -0.22 0.55 0.00 0.35 -0.73 0.00 0.00 179.01 178.96 2k0f h PHE 8 N 0.75 0.00 -0.30 0.92 3.57 -1.22 -2.84 116.94 117.82 2k0f h PHE 8 Ca 0.20 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 8 Cb -0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2k0f h PHE 8 CO -0.02 0.00 -0.38 -0.22 -2.23 0.00 0.00 178.31 175.46 2k0f h LYS 9 N 0.00 0.70 0.00 1.11 3.64 -0.75 0.27 116.57 121.54 2k0f h LYS 9 Ca 0.00 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2k0f h LYS 9 Cb 0.59 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2k0f h LYS 9 CO 0.00 0.96 -0.08 1.49 -2.27 0.00 0.00 179.45 179.55 2k0f h GLU 10 N 0.58 0.00 0.23 1.90 4.81 -1.51 -2.61 114.58 117.98 2k0f h GLU 10 Ca 0.05 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 10 Cb 0.91 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.32 2k0f h GLU 10 CO 0.08 0.08 -1.49 0.00 -0.73 0.00 0.00 179.01 176.96 2k0f h ALA 11 N 1.92 -0.09 -0.47 2.92 0.00 -1.23 -3.27 119.26 119.04 2k0f h ALA 11 Ca -0.00 -0.90 0.09 0.00 0.00 0.00 0.00 54.91 54.10 2k0f h ALA 11 Cb 0.49 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 11 CO 0.01 0.78 -0.03 0.35 0.00 0.00 0.00 179.25 180.36 2k0f h PHE 12 N 0.13 -0.09 0.00 0.00 3.57 -0.25 -2.08 116.94 118.22 2k0f h PHE 12 Ca -0.25 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2k0f h PHE 12 Cb 2.14 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.99 2k0f h PHE 12 CO 0.12 -0.13 0.00 -1.13 -2.23 0.00 0.00 178.31 174.93 2k0f n SER 13 N -5.25 0.00 0.04 0.41 3.41 -1.00 -0.61 113.62 110.61 2k0f n SER 13 Ca 0.04 -1.06 -0.08 0.00 -0.26 0.00 0.00 58.87 57.52 2k0f n SER 13 Cb 0.25 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2k0f h LEU 14 N 0.00 0.49 0.00 1.04 3.38 -1.43 -3.39 115.31 115.39 2k0f h LEU 14 Ca 0.00 -0.27 -0.37 0.00 0.09 0.00 0.00 57.88 57.33 2k0f h LEU 14 Cb 0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 2k0f h LEU 14 CO 0.00 0.96 -2.41 0.49 0.09 0.00 0.00 178.44 177.57 2k0f n PHE 15 N -3.93 0.00 -2.16 1.13 3.72 0.23 -4.71 117.46 111.74 2k0f n PHE 15 Ca -0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.97 2k0f n PHE 15 Cb 0.61 -0.97 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -6.05 5.61 -0.05 4.37 -1.08 -1.00 -4.28 116.67 114.19 2k0f s ASP 16 Ca -0.25 0.38 -0.08 0.00 -0.52 0.00 0.00 52.55 52.08 2k0f s ASP 16 Cb 0.08 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.95 2k0f s ASP 16 CO 0.67 -2.10 0.39 0.11 0.52 0.00 0.00 175.17 174.76 2k0f h LYS 17 N 13.42 -0.29 -0.71 4.34 1.79 -1.84 -3.31 116.57 129.96 2k0f h LYS 17 Ca -0.27 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 2k0f h LYS 17 Cb 1.14 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.82 2k0f h LYS 17 CO 1.19 -0.19 0.32 0.38 -1.08 0.00 0.00 179.45 180.06 2k0f h ASP 18 N -0.93 0.96 -0.85 0.86 3.04 -1.95 -3.48 116.42 114.07 2k0f h ASP 18 Ca -0.03 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 2k0f h ASP 18 Cb 0.23 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.27 2k0f h ASP 18 CO 0.05 0.85 0.00 0.61 -2.04 0.00 0.00 179.24 178.71 2k0f n GLY 19 N -0.91 0.82 0.19 7.15 0.00 -1.25 -5.01 105.19 106.18 2k0f n GLY 19 Ca 0.06 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 0.89 0.00 1.61 2.03 -1.93 -3.48 116.42 115.54 2k0f h ASP 20 Ca 0.00 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.55 2k0f h ASP 20 Cb 0.66 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 2k0f h ASP 20 CO 0.00 1.55 0.00 0.61 -1.03 0.00 0.00 179.24 180.37 2k0f n GLY 21 N 1.19 0.86 3.09 7.15 0.00 -1.26 -5.15 105.19 111.07 2k0f n GLY 21 Ca -0.12 0.00 -0.20 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 -0.41 0.94 -0.25 2.61 -4.23 -1.26 -3.92 115.64 109.11 2k0f s THR 22 Ca 0.00 -0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.64 2k0f s THR 22 Cb 0.00 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 2k0f s THR 22 CO 0.00 0.12 0.44 -0.63 -0.54 0.00 0.00 174.62 174.01 2k0f s ILE 23 N -0.55 5.13 0.44 2.99 1.01 -0.01 -4.75 121.20 125.47 2k0f s ILE 23 Ca 0.02 0.74 0.05 0.00 0.00 0.00 0.00 60.65 61.46 2k0f s ILE 23 Cb -0.06 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2k0f s ILE 23 CO 0.00 0.15 0.01 0.42 0.00 0.00 0.00 174.94 175.52 2k0f s THR 24 N 2.00 1.65 0.01 2.92 -4.23 -1.26 -0.72 115.64 116.01 2k0f s THR 24 Ca 0.19 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.51 2k0f s THR 24 Cb -0.15 -2.68 -0.25 0.00 1.34 0.00 0.00 72.50 70.76 2k0f s THR 24 CO 0.09 0.00 1.09 0.74 -0.54 0.00 0.00 174.62 176.00 2k0f h THR 25 N 1.63 1.40 -0.49 3.99 2.02 -1.97 -2.58 112.91 116.91 2k0f h THR 25 Ca -0.44 -2.19 0.10 0.00 0.77 0.00 0.00 66.41 64.65 2k0f h THR 25 Cb 1.27 2.64 -0.09 0.00 -1.74 0.00 0.00 68.15 70.23 2k0f h THR 25 CO 0.78 0.65 -0.06 0.50 0.37 0.00 0.00 175.52 177.76 2k0f h LYS 26 N -0.02 0.06 -0.56 6.66 3.64 -1.97 -0.58 116.57 123.80 2k0f h LYS 26 Ca -0.10 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2k0f h LYS 26 Cb 1.47 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 2k0f h LYS 26 CO 0.15 0.04 0.09 0.93 -2.27 0.00 0.00 179.45 178.39 2k0f h GLU 27 N 0.06 0.89 0.03 1.90 5.08 -1.78 -2.28 114.58 118.47 2k0f h GLU 27 Ca 0.24 -0.21 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 27 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 27 CO -0.45 0.82 -0.98 1.25 -1.00 0.00 0.00 179.01 178.65 2k0f h LEU 28 N 0.84 0.30 -1.14 1.33 5.85 -1.25 -3.03 115.31 118.21 2k0f h LEU 28 Ca 0.18 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2k0f h LEU 28 Cb 0.37 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2k0f h LEU 28 CO 0.01 1.12 0.00 1.23 -0.34 0.00 0.00 178.44 180.45 2k0f h GLY 29 N 1.84 0.00 0.81 3.75 0.00 -1.06 -2.74 103.07 105.68 2k0f h GLY 29 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.93 2k0f h GLY 29 CO 0.15 0.00 -1.84 -0.84 0.00 0.00 0.00 176.54 174.01 2k0f h THR 30 N 0.00 0.75 -0.50 4.70 2.02 -1.35 -2.06 112.91 116.48 2k0f h THR 30 Ca 0.00 -2.53 0.10 0.00 0.77 0.00 0.00 66.41 64.75 2k0f h THR 30 Cb 0.43 2.49 -0.09 0.00 -1.74 0.00 0.00 68.15 69.23 2k0f h THR 30 CO 0.00 0.72 -0.09 0.58 0.37 0.00 0.00 175.52 177.10 2k0f h VAL 31 N 0.04 0.52 0.61 3.16 2.07 -1.41 -2.13 116.25 119.12 2k0f h VAL 31 Ca -0.35 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2k0f h VAL 31 Cb 2.03 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2k0f h VAL 31 CO 0.09 0.01 -0.48 0.24 0.02 0.00 0.00 177.57 177.44 2k0f h MET 32 N 0.03 -1.02 0.00 1.57 2.86 -1.40 -1.95 114.93 115.02 2k0f h MET 32 Ca 0.25 0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2k0f h MET 32 Cb 0.38 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 32 CO -0.49 -0.68 -0.01 0.07 1.06 0.00 0.00 176.91 176.86 2k0f h ARG 33 N -1.06 0.00 0.02 1.72 0.11 -1.42 0.46 114.38 114.21 2k0f h ARG 33 Ca -0.08 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.73 2k0f h ARG 33 Cb 0.88 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.92 2k0f h ARG 33 CO 0.01 0.01 -1.50 0.77 0.10 0.00 0.00 179.97 179.36 2k0f h SER 34 N 0.00 0.06 -0.01 0.08 0.02 -1.25 -3.32 113.55 109.13 2k0f h SER 34 Ca -0.00 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2k0f h SER 34 Cb 0.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k0f h SER 34 CO 0.00 1.09 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.71 2k0f h LEU 35 N 0.01 0.02 0.00 5.07 3.38 -0.78 -3.48 115.31 119.54 2k0f h LEU 35 Ca -0.21 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2k0f h LEU 35 Cb 1.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2k0f h LEU 35 CO 0.10 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2k0f n GLY 36 N -0.24 -1.23 3.71 0.83 0.00 0.10 -5.03 105.19 103.33 2k0f n GLY 36 Ca -0.08 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 4.55 0.05 1.61 2.00 -1.21 -4.34 119.66 122.32 2k0f s GLN 37 Ca 0.00 1.31 -0.03 0.00 -2.00 0.00 0.00 55.36 54.64 2k0f s GLN 37 Cb 0.00 -3.45 -0.03 0.00 0.80 0.00 0.00 33.01 30.34 2k0f s GLN 37 CO 0.00 0.00 0.04 1.21 -0.50 0.00 0.00 175.29 176.04 2k0f s ASN 38 N 0.86 0.35 0.00 6.67 2.47 -1.26 -4.24 114.94 119.79 2k0f s ASN 38 Ca 0.49 -0.82 0.00 0.00 0.42 0.00 0.00 52.86 52.94 2k0f s ASN 38 Cb -0.21 0.23 0.00 0.00 -1.45 0.00 0.00 41.25 39.82 2k0f s ASN 38 CO 0.26 -0.60 0.00 -2.65 -3.72 0.00 0.00 177.10 170.40 2k0f n PRO 39 N 0.26 2.73 -0.54 0.43 -0.02 -1.26 -5.02 135.00 131.57 2k0f n PRO 39 Ca -0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 2k0f n PRO 39 Cb 0.61 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.10 2k0f n PRO 39 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2k0f n THR 40 N 0.00 0.00 0.01 3.45 -2.24 -1.26 -4.93 114.28 109.31 2k0f n THR 40 Ca 0.00 -0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 2k0f n THR 40 Cb 0.00 -1.61 -0.10 0.00 -2.10 0.00 0.00 70.33 66.52 2k0f n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k0f h GLU 41 N 0.00 0.59 0.00 -0.78 5.08 -1.99 -3.10 114.58 114.38 2k0f h GLU 41 Ca -0.04 -0.59 -0.06 0.00 -1.00 0.00 0.00 59.36 57.67 2k0f h GLU 41 Cb 0.13 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 41 CO 0.04 1.20 -0.29 0.00 -1.00 0.00 0.00 179.01 178.96 2k0f h ALA 42 N 0.40 1.22 0.02 3.43 0.00 -1.97 -0.36 119.26 122.01 2k0f h ALA 42 Ca -0.09 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 2k0f h ALA 42 Cb 1.45 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.21 2k0f h ALA 42 CO 0.15 0.36 -0.78 0.93 0.00 0.00 0.00 179.25 179.92 2k0f h GLU 43 N 0.00 0.49 0.00 0.00 5.08 -1.95 -1.66 114.58 116.53 2k0f h GLU 43 Ca -0.00 -0.55 -0.21 0.00 -1.00 0.00 0.00 59.36 57.59 2k0f h GLU 43 Cb 0.63 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 43 CO 0.04 1.19 -1.07 1.25 -1.00 0.00 0.00 179.01 179.42 2k0f h LEU 44 N 0.02 0.00 -1.43 1.33 5.85 -1.44 -2.73 115.31 116.91 2k0f h LEU 44 Ca -0.10 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2k0f h LEU 44 Cb 1.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2k0f h LEU 44 CO 0.15 0.96 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.45 2k0f h GLN 45 N 0.00 0.19 -0.92 1.25 4.15 -1.08 -0.17 115.11 118.52 2k0f h GLN 45 Ca -0.05 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.34 2k0f h GLN 45 Cb 1.77 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 29.39 2k0f h GLN 45 CO 0.12 0.34 0.61 0.22 -1.93 0.00 0.00 178.83 178.19 2k0f h ASP 46 N 0.18 1.04 -0.17 -0.69 3.58 -1.01 -2.92 116.42 116.43 2k0f h ASP 46 Ca 0.04 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2k0f h ASP 46 Cb 0.38 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 46 CO 0.02 0.74 -0.05 0.24 -2.88 0.00 0.00 179.24 177.32 2k0f h MET 47 N 1.23 0.48 -0.06 0.28 2.86 -0.79 -2.85 114.93 116.07 2k0f h MET 47 Ca 0.35 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 2k0f h MET 47 Cb -0.11 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.49 2k0f h MET 47 CO -0.09 0.54 -0.28 0.82 1.06 0.00 0.00 176.91 178.97 2k0f h ILE 48 N 0.45 1.44 0.00 -1.22 2.04 -1.37 -3.24 117.51 115.61 2k0f h ILE 48 Ca 0.09 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2k0f h ILE 48 Cb 0.38 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2k0f h ILE 48 CO 0.02 0.48 -0.07 0.78 0.00 0.00 0.00 178.15 179.37 2k0f h ASN 49 N -0.22 0.00 0.82 1.72 2.35 -1.31 -1.02 115.58 117.91 2k0f h ASN 49 Ca -0.02 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 2k0f h ASN 49 Cb 0.93 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2k0f h ASN 49 CO 0.06 0.07 -0.81 -0.08 -1.65 0.00 0.00 177.43 175.01 2k0f h GLU 50 N 0.00 0.00 -0.11 0.81 4.81 -1.56 -3.14 114.58 115.39 2k0f h GLU 50 Ca -0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 50 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 50 CO 0.01 0.81 -0.78 0.28 -0.73 0.00 0.00 179.01 178.60 2k0f h VAL 51 N 0.00 1.32 -3.98 0.32 2.07 -1.39 -3.46 116.25 111.13 2k0f h VAL 51 Ca -0.01 -2.07 -0.56 0.00 0.82 0.00 0.00 66.70 64.88 2k0f h VAL 51 Cb 1.44 2.06 0.15 0.00 -1.52 0.00 0.00 31.29 33.43 2k0f h VAL 51 CO 0.11 0.64 0.47 -0.67 0.02 0.00 0.00 177.57 178.14 2k0f n ASP 52 N -3.89 2.04 0.00 0.57 2.03 -0.48 -4.82 116.55 112.00 2k0f n ASP 52 Ca -0.06 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2k0f n ASP 52 Cb 0.74 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N -1.62 1.32 0.07 -1.67 0.00 -1.26 -4.92 120.51 112.42 2k0f n ALA 53 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 2k0f n ALA 53 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 -0.23 0.00 0.00 3.04 -1.94 -3.49 116.42 113.80 2k0f h ASP 54 Ca 0.00 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k0f h ASP 54 Cb 0.04 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 2k0f h ASP 54 CO 0.00 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.07 2k0f n GLY 55 N 1.01 -0.69 0.10 7.15 0.00 -1.26 -5.06 105.19 106.44 2k0f n GLY 55 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.90 0.00 1.61 0.23 -1.26 -5.00 115.26 111.73 2k0f n ASN 56 Ca 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 2k0f n ASN 56 Cb 0.00 0.59 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 2.00 0.39 3.60 4.83 0.00 -1.26 -5.07 105.19 109.67 2k0f n GLY 57 Ca -0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 3.38 -0.39 2.61 -4.23 -1.26 -4.74 115.64 109.01 2k0f s THR 58 Ca 0.00 -1.55 -0.19 0.00 -1.18 0.00 0.00 61.69 58.77 2k0f s THR 58 Cb 0.00 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.17 2k0f s THR 58 CO 0.00 -0.10 0.57 -0.63 -0.54 0.00 0.00 174.62 173.93 2k0f s ILE 59 N -1.68 4.93 0.62 2.99 1.01 0.10 -4.85 121.20 124.32 2k0f s ILE 59 Ca 0.26 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 2k0f s ILE 59 Cb -0.09 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.35 2k0f s ILE 59 CO 0.16 -0.40 0.89 -1.81 0.00 0.00 0.00 174.94 173.78 2k0f s ASP 60 N 1.86 5.04 0.13 3.58 1.11 -1.26 -0.82 116.67 126.31 2k0f s ASP 60 Ca 0.20 0.17 -0.25 0.00 0.18 0.00 0.00 52.55 52.85 2k0f s ASP 60 Cb -0.15 -0.93 -0.02 0.00 1.07 0.00 0.00 42.92 42.89 2k0f s ASP 60 CO 0.16 -1.37 1.63 0.15 1.18 0.00 0.00 175.17 176.91 2k0f h PHE 61 N -0.24 -0.74 0.00 4.23 3.57 -1.96 -2.88 116.94 118.91 2k0f h PHE 61 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.30 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.39 2k0f h PHE 61 CO 0.33 -0.36 0.00 -0.35 -2.23 0.00 0.00 178.31 175.70 2k0f n PRO 62 N -5.39 0.65 -0.06 6.41 -0.04 -1.26 -3.57 135.00 131.75 2k0f n PRO 62 Ca -0.03 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2k0f n PRO 62 Cb 0.30 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.02 -0.29 0.54 5.08 -1.86 -2.51 114.58 115.56 2k0f h GLU 63 Ca 0.00 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 63 Cb 0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 63 CO 0.00 0.99 -0.32 0.35 -1.00 0.00 0.00 179.01 179.03 2k0f h PHE 64 N -0.93 0.71 -0.31 4.33 3.57 -1.67 -1.87 116.94 120.77 2k0f h PHE 64 Ca -0.01 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 2k0f h PHE 64 Cb 1.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2k0f h PHE 64 CO 0.27 0.86 0.15 -0.07 -2.23 0.00 0.00 178.31 177.28 2k0f h LEU 65 N 0.52 0.37 0.07 0.59 4.07 -1.69 -1.04 115.31 118.20 2k0f h LEU 65 Ca 0.06 -0.02 -0.34 0.00 0.08 0.00 0.00 57.88 57.66 2k0f h LEU 65 Cb 0.81 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.42 2k0f h LEU 65 CO 0.07 0.32 -1.93 0.41 -1.08 0.00 0.00 178.44 176.23 2k0f n THR 66 N -4.44 1.69 -0.01 0.22 -1.04 -0.95 -3.67 114.28 106.09 2k0f n THR 66 Ca 0.02 -0.71 -0.12 0.00 -2.04 0.00 0.00 64.05 61.19 2k0f n THR 66 Cb 0.11 -1.41 -0.07 0.00 -1.82 0.00 0.00 70.33 67.14 2k0f n THR 66 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2k0f h MET 67 N 0.04 0.09 0.00 -2.82 -1.53 -1.27 -2.64 114.93 106.80 2k0f h MET 67 Ca -0.38 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 55.83 2k0f h MET 67 Cb 2.03 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 33.06 2k0f h MET 67 CO 0.07 0.30 -0.13 0.52 0.14 0.00 0.00 176.91 177.82 2k0f h MET 68 N -0.14 0.00 -0.00 0.39 2.07 -1.37 0.04 114.93 115.92 2k0f h MET 68 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2k0f h MET 68 Cb 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.98 2k0f h MET 68 CO 0.00 0.13 -0.27 0.00 1.07 0.00 0.00 176.91 177.84 2k0f n ALA 69 N -2.19 3.07 -1.87 6.32 0.00 -1.23 -4.96 120.51 119.66 2k0f n ALA 69 Ca -0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 2k0f n ALA 69 Cb 0.34 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.69 4.25 -0.12 0.00 3.52 -0.00 -5.01 118.95 118.91 2k0f s ARG 70 Ca 0.21 1.08 -0.19 0.00 -0.13 0.00 0.00 55.73 56.70 2k0f s ARG 70 Cb 0.19 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2k0f s ARG 70 CO 0.56 0.06 0.50 0.21 -0.81 0.00 0.00 175.30 175.83 2k0f s LYS 71 N -2.94 4.34 0.86 5.12 2.20 -1.26 -5.03 119.74 123.02 2k0f s LYS 71 Ca 0.58 0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 56.57 2k0f s LYS 71 Cb -0.11 -3.45 0.11 0.00 -1.51 0.00 0.00 37.83 32.87 2k0f s LYS 71 CO 0.16 0.12 1.14 -1.64 -0.36 0.00 0.00 175.35 174.77 2k0f s MET 72 N 0.72 1.60 0.61 4.03 -1.94 -1.26 -5.08 119.30 117.98 2k0f s MET 72 Ca 0.27 0.29 -0.05 0.00 -1.71 0.00 0.00 55.69 54.49 2k0f s MET 72 Cb -0.15 -1.89 0.03 0.00 2.01 0.00 0.00 34.83 34.82 2k0f s MET 72 CO 0.11 -1.88 0.91 -1.59 -0.01 0.00 0.00 175.02 172.55 2k0f s LYS 73 N -5.36 2.67 0.34 2.03 -2.85 -1.26 -4.92 119.74 110.39 2k0f s LYS 73 Ca 0.63 -0.19 0.14 0.00 -1.00 0.00 0.00 55.97 55.54 2k0f s LYS 73 Cb -0.13 -2.28 0.58 0.00 -2.06 0.00 0.00 37.83 33.94 2k0f s LYS 73 CO 0.52 -0.83 1.72 0.38 0.10 0.00 0.00 175.35 177.24 2k0f h ASP 74 N -0.24 0.00 0.19 0.03 2.03 -1.98 -2.13 116.42 114.32 2k0f h ASP 74 Ca -0.45 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.84 2k0f h ASP 74 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2k0f h ASP 74 CO 0.59 0.47 -0.09 0.71 -1.03 0.00 0.00 179.24 179.89 2k0f h THR 75 N 0.00 0.90 0.00 1.15 1.35 -2.01 -2.92 112.91 111.39 2k0f h THR 75 Ca -0.00 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 2k0f h THR 75 Cb 0.88 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2k0f h THR 75 CO 0.06 0.17 -0.06 0.44 -0.25 0.00 0.00 175.52 175.88 2k0f h ASP 76 N -0.67 0.00 0.99 5.36 3.32 -1.94 -2.87 116.42 120.62 2k0f h ASP 76 Ca -0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2k0f h ASP 76 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2k0f h ASP 76 CO 0.04 0.06 -0.31 -1.28 -1.72 0.00 0.00 179.24 176.03 2k0f h SER 77 N 0.00 0.00 0.06 6.45 0.87 -1.30 0.32 113.55 119.95 2k0f h SER 77 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k0f h SER 77 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2k0f h SER 77 CO 0.01 0.31 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.51 2k0f h GLU 78 N 0.00 -0.08 0.00 2.24 4.57 -1.32 -3.36 114.58 116.63 2k0f h GLU 78 Ca -0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2k0f h GLU 78 Cb 0.89 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2k0f h GLU 78 CO 0.04 0.31 -0.18 0.93 -1.18 0.00 0.00 179.01 178.93 2k0f h GLU 79 N -0.98 0.00 -0.93 1.92 5.08 -1.44 -3.02 114.58 115.21 2k0f h GLU 79 Ca -0.01 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 79 Cb 0.42 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 79 CO 0.01 0.18 0.51 1.49 -1.00 0.00 0.00 179.01 180.20 2k0f h GLU 80 N 0.00 0.62 0.00 2.33 4.81 -1.08 0.14 114.58 121.41 2k0f h GLU 80 Ca -0.00 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 80 Cb 0.34 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2k0f h GLU 80 CO 0.02 0.41 -1.53 -0.89 -0.73 0.00 0.00 179.01 176.29 2k0f n ILE 81 N -4.86 1.15 -0.08 2.32 2.08 -1.14 -1.50 119.36 117.34 2k0f n ILE 81 Ca 0.21 -0.70 -0.13 0.00 0.56 0.00 0.00 62.75 62.70 2k0f n ILE 81 Cb 0.55 -0.69 -0.00 0.00 -0.75 0.00 0.00 39.64 38.75 2k0f n ILE 81 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2k0f h ARG 82 N 0.00 0.83 0.00 0.38 3.08 -1.59 -0.01 114.38 117.07 2k0f h ARG 82 Ca -0.19 -0.47 -0.17 0.00 0.07 0.00 0.00 59.98 59.22 2k0f h ARG 82 Cb 1.62 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.68 2k0f h ARG 82 CO 0.04 1.11 -0.81 0.93 -1.07 0.00 0.00 179.97 180.17 2k0f h GLU 83 N 0.66 0.00 -0.36 0.04 4.39 -0.79 -2.34 114.58 116.17 2k0f h GLU 83 Ca 0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 2k0f h GLU 83 Cb 1.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2k0f h GLU 83 CO 0.10 0.81 -0.42 0.00 -1.16 0.00 0.00 179.01 178.35 2k0f h ALA 84 N 1.19 0.56 -0.87 3.43 0.00 -1.07 -2.82 119.26 119.68 2k0f h ALA 84 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 84 Cb 1.55 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2k0f h ALA 84 CO 0.11 0.68 0.54 0.35 0.00 0.00 0.00 179.25 180.93 2k0f h PHE 85 N 0.74 1.00 -0.12 0.00 3.04 -1.01 -2.71 116.94 117.88 2k0f h PHE 85 Ca 0.05 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 2k0f h PHE 85 Cb 1.02 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 2k0f h PHE 85 CO 0.06 0.49 -0.20 -0.09 -2.02 0.00 0.00 178.31 176.56 2k0f h ARG 86 N 0.97 0.20 -0.79 1.11 2.43 -1.38 0.11 114.38 117.04 2k0f h ARG 86 Ca 0.39 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2k0f h ARG 86 Cb 0.20 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2k0f h ARG 86 CO -0.18 0.40 0.52 0.28 -1.51 0.00 0.00 179.97 179.48 2k0f h VAL 87 N 0.19 1.20 0.07 0.20 2.07 -1.21 -3.29 116.25 115.46 2k0f h VAL 87 Ca 0.03 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2k0f h VAL 87 Cb 0.47 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2k0f h VAL 87 CO 0.03 0.19 -0.03 -0.26 0.02 0.00 0.00 177.57 177.52 2k0f h PHE 88 N 1.06 -0.08 -3.58 1.57 0.04 -1.38 -3.47 116.94 111.10 2k0f h PHE 88 Ca 0.29 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.47 2k0f h PHE 88 Cb -0.12 0.03 -0.09 0.00 2.20 0.00 0.00 35.95 37.97 2k0f h PHE 88 CO -0.00 0.28 0.66 0.34 -0.60 0.00 0.00 178.31 178.99 2k0f s ASP 89 N -5.65 6.62 -0.06 2.17 2.15 0.32 -4.87 116.67 117.35 2k0f s ASP 89 Ca -0.08 0.43 -0.10 0.00 0.43 0.00 0.00 52.55 53.23 2k0f s ASP 89 Cb -0.01 -2.48 -0.30 0.00 -0.30 0.00 0.00 42.92 39.84 2k0f s ASP 89 CO 0.29 -0.99 0.61 0.07 -0.17 0.00 0.00 175.17 174.98 2k0f h LYS 90 N 8.79 0.36 0.03 4.34 2.10 -1.90 -3.38 116.57 126.92 2k0f h LYS 90 Ca -0.23 -0.62 -0.13 0.00 -2.00 0.00 0.00 60.65 57.67 2k0f h LYS 90 Cb 1.07 0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2k0f h LYS 90 CO 1.03 1.29 -0.68 0.38 -2.00 0.00 0.00 179.45 179.47 2k0f h ASP 91 N 0.10 0.10 -0.06 7.07 3.04 -1.95 -3.50 116.42 121.23 2k0f h ASP 91 Ca -0.36 -0.82 0.00 0.00 -3.24 0.00 0.00 57.03 52.61 2k0f h ASP 91 Cb 2.08 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 40.34 2k0f h ASP 91 CO 0.16 1.28 0.00 0.61 -2.04 0.00 0.00 179.24 179.25 2k0f n GLY 92 N 1.58 0.93 0.18 7.15 0.00 -1.26 -4.99 105.19 108.78 2k0f n GLY 92 Ca -0.19 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.96 -3.47 115.58 110.69 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 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.82 1.01 3.07 9.14 0.00 -1.26 -5.09 105.19 112.89 2k0f n GLY 94 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 1.51 -0.36 1.61 1.51 -1.26 -3.94 117.35 114.42 2k0f s TYR 95 Ca 0.00 -0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 55.39 2k0f s TYR 95 Cb 0.00 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 2k0f s TYR 95 CO 0.00 -0.21 0.55 0.42 -1.11 0.00 0.00 175.55 175.20 2k0f s ILE 96 N 0.32 4.97 0.84 2.71 1.01 0.09 -4.91 121.20 126.23 2k0f s ILE 96 Ca -0.08 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 2k0f s ILE 96 Cb -0.13 -4.01 0.11 0.00 0.01 0.00 0.00 42.46 38.44 2k0f s ILE 96 CO 0.03 -0.29 1.20 -0.94 0.00 0.00 0.00 174.94 174.94 2k0f s SER 97 N 1.79 4.16 0.28 3.58 1.04 -1.26 -0.88 113.70 122.41 2k0f s SER 97 Ca 0.20 0.58 0.13 0.00 0.48 0.00 0.00 55.95 57.33 2k0f s SER 97 Cb -0.15 -0.96 0.37 0.00 0.10 0.00 0.00 66.02 65.37 2k0f s SER 97 CO 0.14 -2.10 1.60 0.00 0.98 0.00 0.00 173.24 173.86 2k0f h ALA 98 N -1.15 0.89 -0.36 5.32 0.00 -1.98 -2.12 119.26 119.86 2k0f h ALA 98 Ca -0.45 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 53.78 2k0f h ALA 98 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 98 CO 0.57 0.73 -0.36 0.00 0.00 0.00 0.00 179.25 180.20 2k0f h ALA 99 N 1.41 0.68 -0.67 0.00 0.00 -1.97 0.80 119.26 119.51 2k0f h ALA 99 Ca -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 99 Cb 1.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 99 CO 0.08 0.67 0.22 0.93 0.00 0.00 0.00 179.25 181.14 2k0f h GLU 100 N 0.70 1.04 0.33 0.00 5.08 -1.88 0.60 114.58 120.45 2k0f h GLU 100 Ca 0.07 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 100 Cb 0.92 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 100 CO 0.08 0.90 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.77 2k0f h LEU 101 N 0.98 -0.37 0.70 1.33 3.38 -1.34 -3.08 115.31 116.92 2k0f h LEU 101 Ca 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k0f h LEU 101 Cb 0.29 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2k0f h LEU 101 CO -0.01 -0.14 -0.34 -0.09 0.09 0.00 0.00 178.44 177.95 2k0f h ARG 102 N -0.59 -0.92 -0.65 1.13 2.43 -0.66 -1.53 114.38 113.59 2k0f h ARG 102 Ca -0.04 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2k0f h ARG 102 Cb 0.43 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 2k0f h ARG 102 CO 0.07 -0.61 0.32 1.25 -1.51 0.00 0.00 179.97 179.50 2k0f h HIS 103 N -0.95 0.59 -0.08 2.20 2.76 -1.03 -1.20 115.15 117.43 2k0f h HIS 103 Ca -0.10 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 2k0f h HIS 103 Cb 0.73 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 2k0f h HIS 103 CO -0.03 0.23 -0.04 0.28 -1.30 0.00 0.00 177.93 177.07 2k0f h VAL 104 N 0.58 1.33 -0.33 5.26 2.07 -1.42 -2.03 116.25 121.70 2k0f h VAL 104 Ca 0.31 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2k0f h VAL 104 Cb 0.29 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.84 2k0f h VAL 104 CO -0.24 0.30 -0.20 0.24 0.02 0.00 0.00 177.57 177.69 2k0f h MET 105 N -0.20 -0.15 -0.43 1.57 2.07 -1.23 0.11 114.93 116.67 2k0f h MET 105 Ca 0.02 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 105 Cb 0.49 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 2k0f h MET 105 CO 0.01 -0.10 0.16 0.00 1.07 0.00 0.00 176.91 178.06 2k0f h THR 106 N -0.16 1.21 0.00 2.22 1.03 -1.10 0.22 112.91 116.33 2k0f h THR 106 Ca 0.17 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2k0f h THR 106 Cb 0.42 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 2k0f h THR 106 CO -0.43 0.24 0.00 0.59 -0.01 0.00 0.00 175.52 175.91 2k0f n ASN 107 N -4.60 0.00 -0.07 0.00 4.13 -0.77 -2.44 115.26 111.51 2k0f n ASN 107 Ca 0.00 0.46 -0.13 0.00 1.68 0.00 0.00 54.58 56.59 2k0f n ASN 107 Cb 0.16 -0.48 -0.10 0.00 -1.54 0.00 0.00 39.78 37.81 2k0f n ASN 107 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2k0f h LEU 108 N 0.00 0.00 0.00 3.41 5.85 -0.55 -3.41 115.31 120.61 2k0f h LEU 108 Ca 0.00 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.01 2k0f h LEU 108 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2k0f h LEU 108 CO 0.00 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.70 2k0f n GLY 109 N 1.61 0.23 3.49 3.75 0.00 -0.21 -4.80 105.19 109.26 2k0f n GLY 109 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 3.16 -1.13 1.61 0.41 0.60 -4.98 118.70 118.36 2k0f s GLU 110 Ca 0.00 -0.63 -0.09 0.00 -0.41 0.00 0.00 54.97 53.84 2k0f s GLU 110 Cb 0.00 -3.96 0.26 0.00 -1.78 0.00 0.00 34.13 28.65 2k0f s GLU 110 CO 0.00 -0.91 1.21 1.63 -0.49 0.00 0.00 175.26 176.70 2k0f n LYS 111 N 5.84 3.61 -3.54 1.61 4.76 -1.26 -2.95 118.16 126.23 2k0f n LYS 111 Ca -0.05 -4.36 -0.31 0.00 -2.87 0.00 0.00 58.31 50.71 2k0f n LYS 111 Cb 0.47 -2.62 -0.05 0.00 -1.84 0.00 0.00 35.03 30.99 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k0f s LEU 112 N -1.00 4.21 0.61 -0.35 1.43 -1.26 -5.11 118.68 117.22 2k0f s LEU 112 Ca 0.33 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2k0f s LEU 112 Cb -0.07 -3.49 0.10 0.00 0.03 0.00 0.00 46.19 42.76 2k0f s LEU 112 CO -0.05 -0.02 0.84 0.42 0.23 0.00 0.00 176.35 177.77 2k0f s THR 113 N -1.75 2.18 0.20 5.49 -4.23 -1.26 -4.97 115.64 111.30 2k0f s THR 113 Ca 0.44 -0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 2k0f s THR 113 Cb -0.12 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2k0f s THR 113 CO 0.23 0.00 1.61 0.44 -0.54 0.00 0.00 174.62 176.36 2k0f h ASP 114 N -0.01 0.84 1.57 3.99 5.19 -2.00 -2.60 116.42 123.41 2k0f h ASP 114 Ca -0.32 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2k0f h ASP 114 Cb 1.28 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.56 2k0f h ASP 114 CO 0.41 1.04 0.00 1.05 -3.12 0.00 0.00 179.24 178.62 2k0f h GLU 115 N 0.72 0.00 -0.23 3.56 4.11 -1.99 -2.69 114.58 118.07 2k0f h GLU 115 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.50 2k0f h GLU 115 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2k0f h GLU 115 CO 0.06 0.00 0.02 1.49 0.07 0.00 0.00 179.01 180.66 2k0f h GLU 116 N 0.00 0.38 -0.85 1.06 4.57 -1.87 -2.06 114.58 115.82 2k0f h GLU 116 Ca 0.00 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2k0f h GLU 116 Cb 0.79 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2k0f h GLU 116 CO 0.00 0.54 0.48 0.28 -1.18 0.00 0.00 179.01 179.13 2k0f h VAL 117 N 0.17 1.24 -0.80 0.32 2.07 -1.28 -1.54 116.25 116.43 2k0f h VAL 117 Ca 0.07 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.06 2k0f h VAL 117 Cb 0.35 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 117 CO 0.01 0.27 0.49 0.44 0.02 0.00 0.00 177.57 178.79 2k0f h ASP 118 N 1.17 0.77 0.10 0.57 3.32 -1.49 -2.72 116.42 118.14 2k0f h ASP 118 Ca 0.30 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 118 Cb 0.00 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.42 2k0f h ASP 118 CO -0.05 0.50 -0.96 -0.08 -1.72 0.00 0.00 179.24 176.92 2k0f h GLU 119 N 0.90 0.61 -0.58 3.56 4.81 -0.54 -1.73 114.58 121.61 2k0f h GLU 119 Ca 0.35 -0.63 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 119 Cb 0.15 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 119 CO -0.17 1.24 0.05 0.52 -0.73 0.00 0.00 179.01 179.92 2k0f h MET 120 N 0.36 0.97 -0.70 1.92 2.86 -1.50 -2.74 114.93 116.09 2k0f h MET 120 Ca -0.10 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.22 2k0f h MET 120 Cb 1.60 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 2k0f h MET 120 CO 0.18 0.92 0.22 0.82 1.06 0.00 0.00 176.91 180.11 2k0f h ILE 121 N 0.90 1.25 0.65 -1.22 1.08 -1.22 -3.26 117.51 115.70 2k0f h ILE 121 Ca 0.17 -0.87 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 2k0f h ILE 121 Cb 0.46 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 34.69 2k0f h ILE 121 CO 0.02 0.34 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.42 2k0f h ARG 122 N 1.04 -0.84 0.00 2.37 2.43 -1.25 -2.60 114.38 115.53 2k0f h ARG 122 Ca 0.23 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2k0f h ARG 122 Cb 0.29 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2k0f h ARG 122 CO -0.01 -0.52 0.11 -0.85 -1.51 0.00 0.00 179.97 177.19 2k0f n GLU 123 N -5.40 0.07 -0.04 0.20 0.28 -1.04 -3.40 120.64 111.31 2k0f n GLU 123 Ca -0.12 0.54 -0.04 0.00 -0.16 0.00 0.00 57.16 57.37 2k0f n GLU 123 Cb 0.37 -1.85 -0.01 0.00 1.43 0.00 0.00 31.44 31.37 2k0f n GLU 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k0f n ALA 124 N -1.59 0.37 -2.60 -1.84 0.00 -1.09 -4.98 120.51 108.77 2k0f n ALA 124 Ca -0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 2k0f n ALA 124 Cb 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -4.88 6.69 0.02 0.00 -1.08 -1.00 -4.87 116.67 111.55 2k0f s ASP 125 Ca -0.12 0.58 0.10 0.00 -0.52 0.00 0.00 52.55 52.58 2k0f s ASP 125 Cb 0.02 -2.50 -0.22 0.00 -1.46 0.00 0.00 42.92 38.76 2k0f s ASP 125 CO 0.18 -0.98 0.91 -0.29 0.52 0.00 0.00 175.17 175.51 2k0f h ILE 126 N 5.94 1.20 0.06 4.11 6.09 -1.92 -3.41 117.51 129.57 2k0f h ILE 126 Ca -0.23 -2.99 -0.18 0.00 -1.37 0.00 0.00 64.86 60.10 2k0f h ILE 126 Cb 1.07 2.60 -0.01 0.00 0.47 0.00 0.00 36.82 40.95 2k0f h ILE 126 CO 1.03 0.69 -0.91 -2.24 -3.07 0.00 0.00 178.15 173.65 2k0f h ASP 127 N 0.00 0.19 0.00 2.19 3.04 -1.99 -3.49 116.42 116.37 2k0f h ASP 127 Ca -0.18 -0.82 0.00 0.00 -3.24 0.00 0.00 57.03 52.79 2k0f h ASP 127 Cb 1.92 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.15 2k0f h ASP 127 CO 0.10 1.39 0.00 0.61 -2.04 0.00 0.00 179.24 179.30 2k0f n GLY 128 N 1.62 1.05 0.07 7.15 0.00 -1.26 -5.07 105.19 108.76 2k0f n GLY 128 Ca -0.21 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.11 0.00 0.00 1.61 2.03 -1.94 -3.49 116.42 114.74 2k0f h ASP 129 Ca 0.00 -0.46 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.98 0.00 0.61 -1.03 0.00 0.00 179.24 179.80 2k0f n GLY 130 N 1.60 1.92 3.36 7.15 0.00 -1.26 -5.11 105.19 112.86 2k0f n GLY 130 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.59 1.33 -0.34 1.61 -0.21 -1.26 -4.46 119.66 115.73 2k0f s GLN 131 Ca 0.00 -1.32 -0.16 0.00 0.02 0.00 0.00 55.36 53.90 2k0f s GLN 131 Cb 0.00 -1.74 -0.01 0.00 1.00 0.00 0.00 33.01 32.26 2k0f s GLN 131 CO 0.00 0.41 0.42 0.08 -2.12 0.00 0.00 175.29 174.08 2k0f s VAL 132 N -1.17 5.11 0.69 1.09 1.01 -0.06 -4.93 120.40 122.15 2k0f s VAL 132 Ca 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2k0f s VAL 132 Cb -0.10 -3.88 0.14 0.00 0.00 0.00 0.00 36.38 32.54 2k0f s VAL 132 CO 0.06 -0.14 0.95 -0.46 0.00 0.00 0.00 175.10 175.51 2k0f n ASN 133 N 5.53 1.22 -0.15 3.32 0.23 -1.26 -0.73 115.26 123.42 2k0f n ASN 133 Ca -0.07 -2.05 -0.09 0.00 -0.53 0.00 0.00 54.58 51.85 2k0f n ASN 133 Cb 0.49 -0.62 -0.00 0.00 -2.08 0.00 0.00 39.78 37.57 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N -0.64 0.65 -0.37 -2.53 0.05 -1.97 0.29 116.97 112.44 2k0f h TYR 134 Ca -0.31 -0.04 -0.16 0.00 0.05 0.00 0.00 58.73 58.27 2k0f h TYR 134 Cb 1.14 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2k0f h TYR 134 CO 0.00 0.55 -0.38 0.93 -1.05 0.00 0.00 178.16 178.20 2k0f h GLU 135 N 0.56 0.89 -0.09 4.88 5.08 -1.95 0.58 114.58 124.53 2k0f h GLU 135 Ca 0.15 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2k0f h GLU 135 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 135 CO -0.01 1.11 0.05 0.93 -1.00 0.00 0.00 179.01 180.09 2k0f h GLU 136 N 0.73 0.13 -0.56 2.33 5.08 -1.91 -2.23 114.58 118.14 2k0f h GLU 136 Ca 0.06 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 136 Cb 0.97 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2k0f h GLU 136 CO 0.09 0.18 0.11 0.35 -1.00 0.00 0.00 179.01 178.74 2k0f h PHE 137 N 0.05 0.93 0.02 4.33 3.57 -0.21 -0.26 116.94 125.38 2k0f h PHE 137 Ca 0.03 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2k0f h PHE 137 Cb 0.08 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2k0f h PHE 137 CO -0.04 0.79 -0.01 0.28 -2.23 0.00 0.00 178.31 177.10 2k0f h VAL 138 N 0.85 1.40 -0.53 1.41 2.07 0.17 -3.25 116.25 118.36 2k0f h VAL 138 Ca 0.18 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.46 2k0f h VAL 138 Cb 0.35 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2k0f h VAL 138 CO 0.00 0.34 0.36 -0.61 0.02 0.00 0.00 177.57 177.69 2k0f h GLN 139 N -0.61 0.31 -0.11 1.57 5.75 -1.34 -2.31 115.11 118.37 2k0f h GLN 139 Ca -0.00 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 2k0f h GLN 139 Cb 0.58 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2k0f h GLN 139 CO 0.00 0.20 -0.35 1.98 -2.65 0.00 0.00 178.83 178.02 2k0f h MET 140 N 0.32 0.22 0.24 1.69 4.05 -1.10 -3.26 114.93 117.09 2k0f h MET 140 Ca 0.25 -0.09 -0.34 0.00 -0.28 0.00 0.00 59.70 59.24 2k0f h MET 140 Cb 0.55 -0.01 0.03 0.00 -0.80 0.00 0.00 31.60 31.38 2k0f h MET 140 CO -0.06 0.55 -1.52 0.52 0.23 0.00 0.00 176.91 176.63 2k0f h MET 141 N 0.19 0.51 0.00 0.39 2.86 -1.46 -3.51 114.93 113.91 2k0f h MET 141 Ca 0.02 -0.87 0.00 0.00 -2.06 0.00 0.00 59.70 56.80 2k0f h MET 141 Cb 0.71 0.32 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2k0f h MET 141 CO 0.05 1.42 0.00 0.25 1.06 0.00 0.00 176.91 179.69