#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 0.43 0.00 -0.78 3.07 -2.05 0.03 114.58 115.28 2k0f h GLU 2 Ca 0.00 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 2k0f h GLU 2 Cb 0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2k0f h GLU 2 CO 0.00 0.36 -0.28 0.93 -1.40 0.00 0.00 179.01 178.63 2k0f h GLU 3 N 0.44 0.00 0.09 2.33 5.08 -2.06 -1.00 114.58 119.45 2k0f h GLU 3 Ca 0.11 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 3 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 3 CO -0.01 0.28 -1.71 1.96 -1.00 0.00 0.00 179.01 178.52 2k0f h GLN 4 N 0.00 0.18 -0.65 2.33 4.20 -1.76 -3.17 115.11 116.25 2k0f h GLN 4 Ca -0.00 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 2k0f h GLN 4 Cb 0.99 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2k0f h GLN 4 CO 0.04 0.97 0.15 0.82 -0.67 0.00 0.00 178.83 180.14 2k0f h ILE 5 N 0.05 1.25 -0.95 2.54 1.08 -0.96 -3.08 117.51 117.45 2k0f h ILE 5 Ca -0.31 -0.94 0.10 0.00 -0.39 0.00 0.00 64.86 63.33 2k0f h ILE 5 Cb 2.02 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 36.29 2k0f h ILE 5 CO 0.12 0.36 0.61 0.00 -0.69 0.00 0.00 178.15 178.54 2k0f h ALA 6 N 1.18 1.56 0.00 1.87 0.00 -1.23 -1.68 119.26 120.97 2k0f h ALA 6 Ca 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2k0f h ALA 6 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 6 CO 0.00 0.24 -0.02 0.93 0.00 0.00 0.00 179.25 180.40 2k0f h GLU 7 N 0.97 0.00 0.08 0.00 5.08 -1.50 0.12 114.58 119.33 2k0f h GLU 7 Ca 0.44 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.69 2k0f h GLU 7 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 7 CO -0.20 0.02 -0.53 0.74 -1.00 0.00 0.00 179.01 178.04 2k0f h PHE 8 N 0.00 0.30 -0.04 4.33 0.04 -1.37 -3.25 116.94 116.96 2k0f h PHE 8 Ca -0.00 -0.22 -0.08 0.00 2.80 0.00 0.00 57.97 60.47 2k0f h PHE 8 Cb 0.06 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2k0f h PHE 8 CO 0.00 1.20 -0.35 -0.22 -0.60 0.00 0.00 178.31 178.34 2k0f h LYS 9 N -0.65 0.08 0.00 1.51 3.64 -1.17 -2.34 116.57 117.64 2k0f h LYS 9 Ca -0.10 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2k0f h LYS 9 Cb 1.38 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2k0f h LYS 9 CO 0.07 0.43 -0.12 1.49 -2.27 0.00 0.00 179.45 179.05 2k0f h GLU 10 N 0.07 0.00 -0.27 1.90 4.81 -0.90 -0.98 114.58 119.21 2k0f h GLU 10 Ca 0.01 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 10 Cb 0.66 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 10 CO 0.05 0.12 -0.47 0.00 -0.73 0.00 0.00 179.01 177.97 2k0f h ALA 11 N 1.88 0.65 -0.35 2.92 0.00 -1.46 0.35 119.26 123.24 2k0f h ALA 11 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 11 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 11 CO 0.02 0.68 0.20 0.35 0.00 0.00 0.00 179.25 180.49 2k0f h PHE 12 N 0.58 0.37 -0.35 0.00 3.57 -1.29 -2.20 116.94 117.63 2k0f h PHE 12 Ca 0.03 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 12 Cb 1.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2k0f h PHE 12 CO 0.05 0.21 -0.38 1.03 -2.23 0.00 0.00 178.31 177.00 2k0f h SER 13 N 0.41 0.88 -0.98 0.41 0.87 -1.02 -1.71 113.55 112.41 2k0f h SER 13 Ca 0.14 -0.40 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 2k0f h SER 13 Cb 0.02 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 61.66 2k0f h SER 13 CO -0.08 1.16 0.64 0.25 -0.53 0.00 0.00 176.83 178.27 2k0f h LEU 14 N 0.68 1.00 -0.15 2.23 5.85 -0.94 -2.77 115.31 121.22 2k0f h LEU 14 Ca 0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 14 Cb 0.95 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2k0f h LEU 14 CO 0.09 0.63 0.03 -0.26 -0.34 0.00 0.00 178.44 178.59 2k0f h PHE 15 N 1.13 0.26 -3.19 1.25 0.04 -1.19 -3.45 116.94 111.79 2k0f h PHE 15 Ca 0.43 -0.03 -0.53 0.00 2.80 0.00 0.00 57.97 60.64 2k0f h PHE 15 Cb 0.20 -0.07 0.06 0.00 2.20 0.00 0.00 35.95 38.34 2k0f h PHE 15 CO -0.00 0.40 0.83 0.34 -0.60 0.00 0.00 178.31 179.28 2k0f s ASP 16 N -5.66 6.56 -0.04 2.17 -1.08 -0.66 -4.82 116.67 113.13 2k0f s ASP 16 Ca -0.14 2.73 -0.21 0.00 -0.52 0.00 0.00 52.55 54.42 2k0f s ASP 16 Cb 0.06 -2.62 -0.15 0.00 -1.46 0.00 0.00 42.92 38.76 2k0f s ASP 16 CO 0.71 -0.80 0.87 0.50 0.52 0.00 0.00 175.17 176.97 2k0f h LYS 17 N 5.54 -0.26 0.04 4.34 3.64 -1.88 -3.38 116.57 124.60 2k0f h LYS 17 Ca -0.45 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 2k0f h LYS 17 Cb 1.21 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2k0f h LYS 17 CO 0.83 0.12 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.30 2k0f h ASP 18 N -0.89 0.12 -0.06 4.20 3.32 -1.92 -3.49 116.42 117.71 2k0f h ASP 18 Ca -0.03 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.09 2k0f h ASP 18 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2k0f h ASP 18 CO 0.05 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.35 2k0f n GLY 19 N 1.61 1.47 0.07 2.75 0.00 -1.26 -4.98 105.19 104.84 2k0f n GLY 19 Ca -0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.94 -3.47 116.42 114.64 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2k0f h ASP 20 CO 0.00 0.97 0.00 0.61 -1.03 0.00 0.00 179.24 179.79 2k0f n GLY 21 N 1.44 1.56 3.22 7.15 0.00 -1.26 -5.12 105.19 112.18 2k0f n GLY 21 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 0.05 -0.16 2.61 -4.23 -1.26 -4.56 115.64 106.09 2k0f s THR 22 Ca 0.00 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 2k0f s THR 22 Cb 0.00 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.29 2k0f s THR 22 CO 0.00 -0.25 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.01 2k0f s ILE 23 N -1.17 1.96 0.57 2.99 1.01 -1.14 -4.85 121.20 120.57 2k0f s ILE 23 Ca -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.65 2k0f s ILE 23 Cb -0.05 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.69 2k0f s ILE 23 CO 0.03 0.53 0.80 0.42 0.00 0.00 0.00 174.94 176.72 2k0f s THR 24 N 1.20 2.59 0.17 2.92 -4.23 -1.26 -1.01 115.64 116.01 2k0f s THR 24 Ca 0.02 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 24 Cb -0.14 -2.92 0.06 0.00 1.34 0.00 0.00 72.50 70.85 2k0f s THR 24 CO -0.10 0.00 1.75 0.71 -0.54 0.00 0.00 174.62 176.44 2k0f h THR 25 N 0.01 0.85 0.00 3.99 1.35 -1.98 -1.20 112.91 115.94 2k0f h THR 25 Ca -0.41 -0.10 -0.05 0.00 -0.55 0.00 0.00 66.41 65.30 2k0f h THR 25 Cb 1.29 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 2k0f h THR 25 CO 0.50 0.06 -0.22 0.07 -0.25 0.00 0.00 175.52 175.67 2k0f h LYS 26 N 0.30 0.00 0.08 4.72 2.10 -1.95 -2.60 116.57 119.22 2k0f h LYS 26 Ca 0.20 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.53 2k0f h LYS 26 Cb 0.20 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.50 2k0f h LYS 26 CO -0.21 0.22 -1.75 0.93 -2.00 0.00 0.00 179.45 176.64 2k0f h GLU 27 N 0.00 0.16 0.02 0.07 5.08 -1.88 -3.36 114.58 114.67 2k0f h GLU 27 Ca -0.00 -0.27 -0.21 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 27 Cb 0.78 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2k0f h GLU 27 CO 0.03 0.92 -0.94 1.25 -1.00 0.00 0.00 179.01 179.27 2k0f h LEU 28 N 0.04 0.31 -0.75 1.33 5.85 -1.17 -3.20 115.31 117.72 2k0f h LEU 28 Ca -0.32 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.02 2k0f h LEU 28 Cb 2.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 2k0f h LEU 28 CO 0.11 1.09 -0.55 1.23 -0.34 0.00 0.00 178.44 179.97 2k0f h GLY 29 N 1.77 0.00 0.88 3.75 0.00 -1.65 -0.79 103.07 107.03 2k0f h GLY 29 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2k0f h GLY 29 CO 0.15 0.00 -0.01 -0.84 0.00 0.00 0.00 176.54 175.84 2k0f h THR 30 N 0.00 1.08 -0.53 4.70 2.02 -1.69 -0.19 112.91 118.29 2k0f h THR 30 Ca -0.01 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 2k0f h THR 30 Cb 1.08 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2k0f h THR 30 CO 0.07 0.07 -0.14 0.58 0.37 0.00 0.00 175.52 176.47 2k0f h VAL 31 N -0.13 1.27 -0.33 3.16 2.07 -1.60 -1.40 116.25 119.28 2k0f h VAL 31 Ca -0.00 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2k0f h VAL 31 Cb 0.13 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2k0f h VAL 31 CO 0.00 0.46 0.11 -0.03 0.02 0.00 0.00 177.57 178.13 2k0f h MET 32 N 0.91 0.25 0.00 1.57 -1.53 -1.00 0.41 114.93 115.53 2k0f h MET 32 Ca 0.13 -0.01 -0.16 0.00 -3.44 0.00 0.00 59.70 56.22 2k0f h MET 32 Cb 0.71 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.68 2k0f h MET 32 CO 0.05 0.16 -0.78 0.00 0.14 0.00 0.00 176.91 176.49 2k0f h ARG 33 N 0.26 0.00 -0.60 0.39 3.08 -1.03 -0.19 114.38 116.29 2k0f h ARG 33 Ca 0.15 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2k0f h ARG 33 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2k0f h ARG 33 CO -0.15 0.78 0.12 1.03 -1.07 0.00 0.00 179.97 180.68 2k0f h SER 34 N 0.00 0.89 0.27 7.04 0.87 -0.78 -3.16 113.55 118.68 2k0f h SER 34 Ca -0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2k0f h SER 34 Cb 1.45 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2k0f h SER 34 CO 0.10 0.88 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.08 2k0f h LEU 35 N 0.90 -0.31 0.00 2.23 3.38 -0.93 -3.47 115.31 117.10 2k0f h LEU 35 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k0f h LEU 35 Cb 0.36 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2k0f h LEU 35 CO 0.00 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.11 2k0f n GLY 36 N -0.61 0.14 3.70 0.83 0.00 -0.26 -5.09 105.19 103.89 2k0f n GLY 36 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 2.26 -0.41 1.61 -0.21 -0.24 -4.96 119.66 117.70 2k0f s GLN 37 Ca 0.00 -1.66 0.01 0.00 0.02 0.00 0.00 55.36 53.73 2k0f s GLN 37 Cb 0.00 -2.07 0.19 0.00 1.00 0.00 0.00 33.01 32.14 2k0f s GLN 37 CO 0.00 0.07 0.86 1.21 -2.12 0.00 0.00 175.29 175.32 2k0f s ASN 38 N -3.82 -0.96 0.96 5.90 2.47 -1.26 -3.38 114.94 114.84 2k0f s ASN 38 Ca 0.37 -0.88 -0.10 0.00 0.42 0.00 0.00 52.86 52.68 2k0f s ASN 38 Cb -0.01 1.25 0.15 0.00 -1.45 0.00 0.00 41.25 41.19 2k0f s ASN 38 CO 0.22 -0.06 0.89 -0.81 -3.72 0.00 0.00 177.10 173.61 2k0f n PRO 39 N 3.31 -0.78 -1.28 0.43 -0.04 -1.26 -5.10 135.00 130.28 2k0f n PRO 39 Ca 0.13 -1.46 -0.30 0.00 -0.04 0.00 0.00 63.50 61.82 2k0f n PRO 39 Cb 0.60 -0.88 0.12 0.00 -0.04 0.00 0.00 33.50 33.29 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -2.89 2.92 0.08 0.52 -4.23 -1.26 -4.93 115.64 105.85 2k0f s THR 40 Ca 0.51 0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 2k0f s THR 40 Cb -0.01 -2.83 -0.28 0.00 1.34 0.00 0.00 72.50 70.72 2k0f s THR 40 CO 0.36 -0.39 1.15 -0.33 -0.54 0.00 0.00 174.62 174.86 2k0f h GLU 41 N -1.36 0.36 -0.03 3.99 4.39 -1.99 -1.55 114.58 118.40 2k0f h GLU 41 Ca -0.48 -0.55 -0.16 0.00 0.34 0.00 0.00 59.36 58.51 2k0f h GLU 41 Cb 1.27 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 2k0f h GLU 41 CO 0.55 1.24 -0.72 0.00 -1.16 0.00 0.00 179.01 178.92 2k0f h ALA 42 N 0.53 0.74 -0.73 3.43 0.00 -1.99 -1.25 119.26 120.00 2k0f h ALA 42 Ca -0.15 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 42 Cb 1.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 2k0f h ALA 42 CO 0.21 0.83 0.22 1.49 0.00 0.00 0.00 179.25 181.99 2k0f h GLU 43 N 0.11 1.13 -0.63 0.00 4.81 -1.96 -1.88 114.58 116.15 2k0f h GLU 43 Ca -0.02 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 2k0f h GLU 43 Cb 1.27 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2k0f h GLU 43 CO 0.11 0.97 0.15 1.25 -0.73 0.00 0.00 179.01 180.76 2k0f h LEU 44 N 1.08 0.94 -0.91 1.64 5.85 -0.75 -0.72 115.31 122.44 2k0f h LEU 44 Ca 0.23 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 44 Cb 0.32 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2k0f h LEU 44 CO -0.01 0.91 0.60 -0.61 -0.34 0.00 0.00 178.44 179.00 2k0f h GLN 45 N 0.95 1.18 0.16 1.25 4.15 -1.13 -2.41 115.11 119.25 2k0f h GLN 45 Ca 0.20 -0.07 -0.31 0.00 0.77 0.00 0.00 58.65 59.24 2k0f h GLN 45 Cb 0.34 -0.27 0.03 0.00 0.21 0.00 0.00 27.48 27.80 2k0f h GLN 45 CO 0.00 0.78 -1.29 0.22 -1.93 0.00 0.00 178.83 176.61 2k0f h ASP 46 N 1.22 0.87 -0.30 -0.69 3.58 -0.98 -1.07 116.42 119.04 2k0f h ASP 46 Ca 0.34 -0.85 0.06 0.00 0.42 0.00 0.00 57.03 57.00 2k0f h ASP 46 Cb -0.12 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 40.59 2k0f h ASP 46 CO -0.08 1.64 -0.10 -0.03 -2.88 0.00 0.00 179.24 177.79 2k0f h MET 47 N 0.22 -0.04 -0.01 0.28 4.05 -1.06 -1.82 114.93 116.56 2k0f h MET 47 Ca -0.21 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.08 2k0f h MET 47 Cb 1.98 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.77 2k0f h MET 47 CO 0.25 -0.02 -0.64 0.82 0.23 0.00 0.00 176.91 177.54 2k0f h ILE 48 N -0.04 1.45 0.00 1.77 2.04 -1.40 -2.34 117.51 118.99 2k0f h ILE 48 Ca 0.15 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2k0f h ILE 48 Cb 0.26 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2k0f h ILE 48 CO -0.33 0.63 0.00 -3.20 0.00 0.00 0.00 178.15 175.25 2k0f n ASN 49 N -3.79 0.30 -0.07 1.72 5.15 -0.41 -1.32 115.26 116.84 2k0f n ASN 49 Ca -0.01 0.59 -0.14 0.00 -0.60 0.00 0.00 54.58 54.42 2k0f n ASN 49 Cb 0.64 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.21 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2k0f h GLU 50 N 0.00 0.83 -0.36 1.20 4.81 -0.76 -3.32 114.58 116.99 2k0f h GLU 50 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2k0f h GLU 50 Cb 0.20 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 50 CO 0.00 1.16 0.00 1.33 -0.73 0.00 0.00 179.01 180.77 2k0f n VAL 51 N -4.00 0.56 -2.73 0.32 0.24 -0.44 -4.98 118.33 107.30 2k0f n VAL 51 Ca -0.04 -0.78 -0.42 0.00 -2.04 0.00 0.00 64.34 61.06 2k0f n VAL 51 Cb 0.63 0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -1.29 7.30 -0.01 -1.34 -1.08 -0.65 -4.78 116.67 114.82 2k0f s ASP 52 Ca 0.33 1.58 -0.21 0.00 -0.52 0.00 0.00 52.55 53.73 2k0f s ASP 52 Cb 0.19 -2.55 -0.24 0.00 -1.46 0.00 0.00 42.92 38.87 2k0f s ASP 52 CO 0.27 -0.30 1.08 0.00 0.52 0.00 0.00 175.17 176.73 2k0f h ALA 53 N 6.89 0.06 0.16 3.66 0.00 -1.92 -3.36 119.26 124.75 2k0f h ALA 53 Ca -0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 53 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 53 CO 0.78 0.31 -0.08 -0.44 0.00 0.00 0.00 179.25 179.83 2k0f h ASP 54 N -0.17 -0.18 0.00 0.00 3.32 -1.95 -3.50 116.42 113.94 2k0f h ASP 54 Ca -0.07 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k0f h ASP 54 Cb 1.28 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2k0f h ASP 54 CO 0.11 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 2k0f n GLY 55 N 0.74 0.94 0.09 2.75 0.00 -1.26 -5.08 105.19 103.37 2k0f n GLY 55 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 2.73 0.00 1.61 0.23 -1.26 -5.02 115.26 113.56 2k0f n ASN 56 Ca 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 2k0f n ASN 56 Cb 0.00 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 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 2.73 1.72 3.10 4.83 0.00 -1.26 -4.87 105.19 111.44 2k0f n GLY 57 Ca -0.28 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2k0f n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 58 N -2.00 2.91 -0.23 2.61 2.01 -1.26 -4.16 115.64 115.51 2k0f s THR 58 Ca 0.00 -2.02 -0.28 0.00 0.31 0.00 0.00 61.69 59.70 2k0f s THR 58 Cb 0.00 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.55 2k0f s THR 58 CO 0.00 -0.55 1.01 -0.51 -0.69 0.00 0.00 174.62 173.89 2k0f s ILE 59 N 1.09 4.70 0.70 1.82 2.07 -0.18 -4.88 121.20 126.52 2k0f s ILE 59 Ca 0.06 1.97 0.01 0.00 -1.41 0.00 0.00 60.65 61.29 2k0f s ILE 59 Cb -0.21 -4.29 0.13 0.00 0.13 0.00 0.00 42.46 38.22 2k0f s ILE 59 CO -0.05 -0.16 0.97 -1.81 -1.91 0.00 0.00 174.94 171.97 2k0f s ASP 60 N 1.21 4.43 0.03 4.50 1.01 -1.26 -2.89 116.67 123.70 2k0f s ASP 60 Ca 0.43 -0.51 -0.26 0.00 0.71 0.00 0.00 52.55 52.92 2k0f s ASP 60 Cb -0.15 0.14 -0.17 0.00 1.01 0.00 0.00 42.92 43.75 2k0f s ASP 60 CO 0.06 -1.81 1.37 0.15 0.21 0.00 0.00 175.17 175.15 2k0f h PHE 61 N -0.42 -0.33 -1.35 4.23 3.57 -1.96 -1.76 116.94 118.93 2k0f h PHE 61 Ca -0.34 -0.01 0.44 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 61 Cb 1.27 0.11 -0.12 0.00 2.79 0.00 0.00 35.95 39.99 2k0f h PHE 61 CO -0.11 -0.03 0.88 -1.35 -2.23 0.00 0.00 178.31 175.47 2k0f h PRO 62 N -0.62 0.08 0.38 6.41 0.11 -1.99 -0.12 132.00 136.26 2k0f h PRO 62 Ca -0.04 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2k0f h PRO 62 Cb 0.44 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2k0f h PRO 62 CO 0.06 0.05 -0.18 0.93 -0.21 0.00 0.00 178.00 178.65 2k0f h GLU 63 N 0.08 -0.50 -0.58 1.05 5.08 -1.86 -3.33 114.58 114.52 2k0f h GLU 63 Ca 0.82 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 59.13 2k0f h GLU 63 Cb 2.62 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.96 2k0f h GLU 63 CO -0.39 -0.33 0.02 0.35 -1.00 0.00 0.00 179.01 177.66 2k0f h PHE 64 N -0.95 1.10 -0.17 4.33 3.57 -1.01 -2.84 116.94 120.98 2k0f h PHE 64 Ca -0.05 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 2k0f h PHE 64 Cb 0.40 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2k0f h PHE 64 CO 0.02 0.98 -0.02 1.25 -2.23 0.00 0.00 178.31 178.31 2k0f h LEU 65 N 0.90 0.30 -0.09 0.59 5.85 -1.23 -0.03 115.31 121.59 2k0f h LEU 65 Ca 0.17 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2k0f h LEU 65 Cb 0.52 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2k0f h LEU 65 CO 0.03 0.56 0.00 0.74 -0.34 0.00 0.00 178.44 179.43 2k0f h THR 66 N 0.03 0.94 0.30 1.05 2.02 -1.67 0.49 112.91 116.08 2k0f h THR 66 Ca 0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2k0f h THR 66 Cb 0.42 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2k0f h THR 66 CO 0.01 0.01 -0.14 -0.03 0.37 0.00 0.00 175.52 175.73 2k0f h MET 67 N 0.03 -0.39 -0.02 6.66 1.85 -1.51 -2.78 114.93 118.78 2k0f h MET 67 Ca 0.04 0.03 -0.23 0.00 -0.61 0.00 0.00 59.70 58.93 2k0f h MET 67 Cb 0.05 0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.17 2k0f h MET 67 CO -0.07 -0.24 -0.92 0.52 -0.40 0.00 0.00 176.91 175.80 2k0f h MET 68 N -0.43 0.47 0.00 0.39 2.07 -0.64 -2.81 114.93 113.97 2k0f h MET 68 Ca -0.04 -0.48 0.00 0.00 -2.07 0.00 0.00 59.70 57.11 2k0f h MET 68 Cb 0.33 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 2k0f h MET 68 CO 0.07 1.13 0.00 0.00 1.07 0.00 0.00 176.91 179.17 2k0f h ALA 69 N 0.71 1.00 -2.05 6.32 0.00 -0.07 -3.41 119.26 121.76 2k0f h ALA 69 Ca -0.08 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 69 Cb 1.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2k0f h ALA 69 CO 0.16 0.00 1.18 0.50 0.00 0.00 0.00 179.25 181.09 2k0f s ARG 70 N -3.53 3.73 0.28 0.00 3.52 -1.05 -5.02 118.95 116.88 2k0f s ARG 70 Ca 0.02 1.76 -0.07 0.00 -0.13 0.00 0.00 55.73 57.31 2k0f s ARG 70 Cb 0.09 -4.09 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 2k0f s ARG 70 CO 0.48 -1.38 0.57 0.21 -0.81 0.00 0.00 175.30 174.37 2k0f s LYS 71 N 4.87 3.70 0.26 5.12 2.20 -1.26 -5.02 119.74 129.62 2k0f s LYS 71 Ca 0.76 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 2k0f s LYS 71 Cb -0.27 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2k0f s LYS 71 CO 0.31 0.23 0.21 -1.33 -0.36 0.00 0.00 175.35 174.41 2k0f n MET 72 N -0.67 1.09 -2.28 4.03 2.81 -1.26 -5.09 117.12 115.74 2k0f n MET 72 Ca -0.01 -1.64 -0.33 0.00 -1.81 0.00 0.00 57.70 53.91 2k0f n MET 72 Cb 0.53 0.16 -0.02 0.00 -0.71 0.00 0.00 33.22 33.19 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 -3.09 3.67 0.00 0.03 -2.85 -1.26 -4.67 119.74 111.57 2k0f s LYS 73 Ca 0.16 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.24 2k0f s LYS 73 Cb -0.01 -2.09 0.01 0.00 -2.06 0.00 0.00 37.83 33.68 2k0f s LYS 73 CO 0.10 -0.52 0.27 -0.25 0.10 0.00 0.00 175.35 175.05 2k0f n ASP 74 N -1.68 0.00 -0.06 0.03 8.00 -1.26 -0.51 116.55 121.07 2k0f n ASP 74 Ca 0.08 -0.52 -0.05 0.00 0.71 0.00 0.00 54.79 55.01 2k0f n ASP 74 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N -0.51 1.18 0.05 -3.53 -2.24 -1.26 -4.41 114.28 103.56 2k0f n THR 75 Ca 0.00 0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.91 2k0f n THR 75 Cb 0.00 -2.21 -0.07 0.00 -2.10 0.00 0.00 70.33 65.94 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N -0.81 -0.02 0.24 3.42 3.32 -1.65 -2.46 116.42 118.45 2k0f h ASP 76 Ca 0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2k0f h ASP 76 Cb 0.56 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2k0f h ASP 76 CO 0.00 0.01 -0.35 -1.28 -1.72 0.00 0.00 179.24 175.90 2k0f h SER 77 N -0.06 0.17 -0.07 6.45 0.87 -1.07 0.76 113.55 120.62 2k0f h SER 77 Ca -0.00 -0.06 -0.25 0.00 -1.23 0.00 0.00 61.79 60.25 2k0f h SER 77 Cb 0.05 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2k0f h SER 77 CO 0.00 0.52 -0.92 -0.08 -0.53 0.00 0.00 176.83 175.83 2k0f h GLU 78 N 0.15 0.74 -0.15 2.24 4.81 -1.73 -3.10 114.58 117.54 2k0f h GLU 78 Ca 0.02 -0.71 0.04 0.00 -0.13 0.00 0.00 59.36 58.58 2k0f h GLU 78 Cb 0.70 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 78 CO 0.05 1.30 -0.11 1.49 -0.73 0.00 0.00 179.01 181.01 2k0f h GLU 79 N 0.45 -0.11 -0.97 1.92 4.81 -0.93 -2.30 114.58 117.45 2k0f h GLU 79 Ca -0.10 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 79 Cb 1.57 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.91 2k0f h GLU 79 CO 0.18 -0.08 0.63 0.93 -0.73 0.00 0.00 179.01 179.95 2k0f h GLU 80 N -0.12 1.10 -0.89 1.92 5.08 -0.82 0.13 114.58 120.98 2k0f h GLU 80 Ca 0.09 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 80 Cb 0.26 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 80 CO -0.22 0.73 0.56 0.82 -1.00 0.00 0.00 179.01 179.90 2k0f h ILE 81 N 1.13 1.08 0.34 3.13 2.04 -1.35 -1.31 117.51 122.57 2k0f h ILE 81 Ca 0.42 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2k0f h ILE 81 Cb 0.17 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2k0f h ILE 81 CO -0.16 0.19 -0.19 0.03 0.00 0.00 0.00 178.15 178.01 2k0f h ARG 82 N 1.04 -0.49 0.00 2.37 3.08 -1.08 -2.82 114.38 116.49 2k0f h ARG 82 Ca 0.38 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 2k0f h ARG 82 Cb 0.13 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2k0f h ARG 82 CO -0.16 -0.32 -0.11 0.93 -1.07 0.00 0.00 179.97 179.24 2k0f h GLU 83 N -0.50 0.00 -0.42 0.04 4.39 -0.99 -1.45 114.58 115.65 2k0f h GLU 83 Ca -0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 83 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2k0f h GLU 83 CO 0.05 0.11 -0.00 0.00 -1.16 0.00 0.00 179.01 178.00 2k0f h ALA 84 N 1.89 0.56 -0.38 3.43 0.00 -1.23 -3.37 119.26 120.17 2k0f h ALA 84 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 84 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k0f h ALA 84 CO 0.01 0.35 -0.38 0.35 0.00 0.00 0.00 179.25 179.59 2k0f h PHE 85 N 0.58 1.11 0.00 0.00 3.04 -1.00 -2.87 116.94 117.79 2k0f h PHE 85 Ca 0.12 -0.33 0.00 0.00 3.98 0.00 0.00 57.97 61.74 2k0f h PHE 85 Cb 0.49 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2k0f h PHE 85 CO 0.04 1.16 0.00 2.89 -2.02 0.00 0.00 178.31 180.38 2k0f n ARG 86 N -4.08 0.27 0.02 1.11 1.85 -1.02 -1.44 116.66 113.37 2k0f n ARG 86 Ca -0.02 0.11 -0.19 0.00 -1.00 0.00 0.00 57.85 56.75 2k0f n ARG 86 Cb 0.54 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.31 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 1.55 -0.02 8.89 2.07 -1.69 -3.35 116.25 123.70 2k0f h VAL 87 Ca 0.00 -2.49 -0.11 0.00 0.82 0.00 0.00 66.70 64.92 2k0f h VAL 87 Cb 0.10 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2k0f h VAL 87 CO 0.00 0.69 -0.51 -0.26 0.02 0.00 0.00 177.57 177.51 2k0f h PHE 88 N -0.51 0.06 -3.36 1.57 0.04 -1.20 -3.37 116.94 110.16 2k0f h PHE 88 Ca -0.12 -0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.04 2k0f h PHE 88 Cb 1.51 -0.01 -0.09 0.00 2.20 0.00 0.00 35.95 39.56 2k0f h PHE 88 CO 0.21 0.55 0.54 0.34 -0.60 0.00 0.00 178.31 179.35 2k0f s ASP 89 N -6.89 6.78 -0.15 2.17 2.15 -0.52 -4.75 116.67 115.47 2k0f s ASP 89 Ca -0.02 0.86 -0.24 0.00 0.43 0.00 0.00 52.55 53.58 2k0f s ASP 89 Cb 0.13 -2.45 -0.24 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 89 CO 0.75 -0.67 0.55 0.50 -0.17 0.00 0.00 175.17 176.13 2k0f h LYS 90 N 8.01 0.06 0.00 4.34 3.64 -1.82 -3.36 116.57 127.44 2k0f h LYS 90 Ca -0.23 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 2k0f h LYS 90 Cb 1.08 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2k0f h LYS 90 CO 0.93 1.05 -0.61 0.38 -2.27 0.00 0.00 179.45 178.93 2k0f h ASP 91 N -0.83 0.00 0.00 4.20 3.04 -1.91 -3.47 116.42 117.44 2k0f h ASP 91 Ca -0.18 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 2k0f h ASP 91 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2k0f h ASP 91 CO -0.05 0.59 0.00 0.61 -2.04 0.00 0.00 179.24 178.34 2k0f n GLY 92 N 1.25 0.77 0.17 7.15 0.00 -1.26 -5.00 105.19 108.28 2k0f n GLY 92 Ca 0.01 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 -3.46 115.58 110.74 2k0f h ASN 93 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.17 2.09 3.81 9.14 0.00 -1.26 -5.08 105.19 115.07 2k0f n GLY 94 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -1.86 3.40 -0.15 1.61 1.51 -1.26 -3.42 117.35 117.19 2k0f s TYR 95 Ca 0.00 0.34 -0.21 0.00 -1.01 0.00 0.00 57.07 56.19 2k0f s TYR 95 Cb 0.00 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2k0f s TYR 95 CO 0.00 0.61 0.60 0.42 -1.11 0.00 0.00 175.55 176.07 2k0f s ILE 96 N -1.08 5.07 0.19 2.71 1.01 0.59 -4.87 121.20 124.82 2k0f s ILE 96 Ca 0.18 1.17 0.03 0.00 0.00 0.00 0.00 60.65 62.04 2k0f s ILE 96 Cb -0.12 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2k0f s ILE 96 CO 0.08 0.20 0.25 -1.54 0.00 0.00 0.00 174.94 173.94 2k0f n SER 97 N 4.40 0.81 0.28 3.58 3.41 -1.26 -0.85 113.62 123.99 2k0f n SER 97 Ca -0.03 -1.53 -0.15 0.00 -0.26 0.00 0.00 58.87 56.90 2k0f n SER 97 Cb 0.51 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N 0.41 -0.70 -0.45 7.33 0.00 -1.99 -3.05 119.26 120.82 2k0f h ALA 98 Ca -0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 98 Cb 0.42 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 98 CO 0.14 -0.81 0.05 0.00 0.00 0.00 0.00 179.25 178.63 2k0f h ALA 99 N -0.49 1.25 -0.09 0.00 0.00 -1.98 -2.48 119.26 115.47 2k0f h ALA 99 Ca -0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 99 Cb 0.60 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2k0f h ALA 99 CO 0.12 0.51 -0.40 0.93 0.00 0.00 0.00 179.25 180.41 2k0f h GLU 100 N 0.67 -0.48 0.02 0.00 5.08 -1.94 -1.61 114.58 116.32 2k0f h GLU 100 Ca 0.14 0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 100 Cb 0.34 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 100 CO 0.01 -0.32 -0.98 1.25 -1.00 0.00 0.00 179.01 177.97 2k0f h LEU 101 N -0.50 0.50 -0.29 1.33 6.46 -1.38 -0.32 115.31 121.11 2k0f h LEU 101 Ca 0.07 -0.42 0.04 0.00 -0.12 0.00 0.00 57.88 57.45 2k0f h LEU 101 Cb 0.62 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 2k0f h LEU 101 CO -0.36 1.23 0.08 -0.09 -0.62 0.00 0.00 178.44 178.67 2k0f h ARG 102 N 0.20 0.19 0.64 1.25 2.43 -1.49 -2.83 114.38 114.77 2k0f h ARG 102 Ca -0.08 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 102 Cb 1.62 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2k0f h ARG 102 CO 0.17 0.12 -0.33 1.25 -1.51 0.00 0.00 179.97 179.68 2k0f h HIS 103 N 0.19 -0.85 -0.28 2.20 2.76 -1.19 -3.11 115.15 114.87 2k0f h HIS 103 Ca 0.13 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2k0f h HIS 103 Cb 0.13 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2k0f h HIS 103 CO -0.15 -0.51 0.15 -0.39 -1.30 0.00 0.00 177.93 175.72 2k0f h VAL 104 N -0.88 1.09 -0.15 5.26 -1.51 -1.10 -2.52 116.25 116.44 2k0f h VAL 104 Ca -0.09 -0.25 -0.06 0.00 -1.23 0.00 0.00 66.70 65.08 2k0f h VAL 104 Cb 0.68 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 2k0f h VAL 104 CO 0.13 0.10 -0.17 0.24 -1.23 0.00 0.00 177.57 176.64 2k0f h MET 105 N 0.38 0.25 -0.04 5.19 2.07 -1.62 -2.62 114.93 118.54 2k0f h MET 105 Ca 0.10 -0.07 -0.19 0.00 -2.07 0.00 0.00 59.70 57.47 2k0f h MET 105 Cb 0.02 -0.03 0.01 0.00 -1.87 0.00 0.00 31.60 29.74 2k0f h MET 105 CO -0.02 0.43 -0.73 1.15 1.07 0.00 0.00 176.91 178.81 2k0f h THR 106 N 0.23 1.35 -0.97 2.22 2.02 -1.37 -0.39 112.91 116.00 2k0f h THR 106 Ca 0.04 -2.05 0.09 0.00 0.77 0.00 0.00 66.41 65.26 2k0f h THR 106 Cb 0.45 2.36 -0.07 0.00 -1.74 0.00 0.00 68.15 69.15 2k0f h THR 106 CO 0.03 0.62 0.61 0.78 0.37 0.00 0.00 175.52 177.93 2k0f h ASN 107 N 0.17 0.94 0.02 4.18 2.35 -1.55 -2.81 115.58 118.89 2k0f h ASN 107 Ca -0.08 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2k0f h ASN 107 Cb 1.40 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2k0f h ASN 107 CO 0.15 0.56 -0.01 0.25 -1.65 0.00 0.00 177.43 176.73 2k0f h LEU 108 N 1.05 -0.02 0.00 1.61 5.85 -1.37 -3.42 115.31 119.01 2k0f h LEU 108 Ca 0.45 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 108 Cb 0.31 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2k0f h LEU 108 CO -0.22 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.54 2k0f n GLY 109 N -0.93 -0.85 3.94 3.75 0.00 -0.28 -4.75 105.19 106.06 2k0f n GLY 109 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.99 -0.69 1.61 0.41 -0.44 -4.98 118.70 117.60 2k0f s GLU 110 Ca 0.00 -0.27 0.05 0.00 -0.41 0.00 0.00 54.97 54.34 2k0f s GLU 110 Cb 0.00 -2.43 0.21 0.00 -1.78 0.00 0.00 34.13 30.14 2k0f s GLU 110 CO 0.00 -0.47 0.64 1.63 -0.49 0.00 0.00 175.26 176.57 2k0f n LYS 111 N -2.31 2.24 -3.01 1.61 5.02 -1.26 -4.17 118.16 116.28 2k0f n LYS 111 Ca 0.03 -4.58 -0.41 0.00 -2.02 0.00 0.00 58.31 51.33 2k0f n LYS 111 Cb 0.58 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.97 4.13 0.00 -0.35 1.43 -1.26 -5.05 118.68 115.61 2k0f s LEU 112 Ca 0.32 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 2k0f s LEU 112 Cb 0.05 -3.04 0.20 0.00 0.03 0.00 0.00 46.19 43.43 2k0f s LEU 112 CO -0.09 -0.37 1.22 0.35 0.23 0.00 0.00 176.35 177.69 2k0f n THR 113 N 4.91 0.00 -0.22 5.49 -2.24 -1.26 -4.84 114.28 116.12 2k0f n THR 113 Ca 0.02 -1.20 0.03 0.00 -2.27 0.00 0.00 64.05 60.62 2k0f n THR 113 Cb 0.49 -1.29 0.14 0.00 -2.10 0.00 0.00 70.33 67.57 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 -1.35 -0.02 -0.26 3.42 3.32 -2.00 -2.29 116.42 117.23 2k0f h ASP 114 Ca -0.40 0.13 0.02 0.00 0.02 0.00 0.00 57.03 56.80 2k0f h ASP 114 Cb 1.21 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 2k0f h ASP 114 CO 0.32 -0.02 0.13 -0.33 -1.72 0.00 0.00 179.24 177.63 2k0f h GLU 115 N 0.25 0.27 -0.15 3.56 3.07 -2.00 -3.04 114.58 116.55 2k0f h GLU 115 Ca 0.36 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 2k0f h GLU 115 Cb 0.57 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2k0f h GLU 115 CO -0.46 0.18 0.00 0.93 -1.40 0.00 0.00 179.01 178.27 2k0f h GLU 116 N 0.28 0.27 -0.81 2.33 4.39 -1.79 -2.00 114.58 117.25 2k0f h GLU 116 Ca 0.11 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.80 2k0f h GLU 116 Cb 0.02 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2k0f h GLU 116 CO -0.07 0.49 0.47 0.28 -1.16 0.00 0.00 179.01 179.02 2k0f h VAL 117 N 0.02 0.95 -0.06 3.13 2.07 -1.51 -1.94 116.25 118.91 2k0f h VAL 117 Ca 0.04 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2k0f h VAL 117 Cb 0.36 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2k0f h VAL 117 CO 0.01 0.15 -0.10 -0.78 0.02 0.00 0.00 177.57 176.87 2k0f h ASP 118 N 0.82 -0.30 -0.87 0.57 3.58 -1.36 -2.62 116.42 116.24 2k0f h ASP 118 Ca 0.38 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2k0f h ASP 118 Cb 0.28 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 2k0f h ASP 118 CO -0.22 -0.14 0.56 -0.08 -2.88 0.00 0.00 179.24 176.49 2k0f h GLU 119 N -0.14 1.16 0.08 0.28 4.81 -0.65 -1.40 114.58 118.72 2k0f h GLU 119 Ca 0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 119 Cb 0.22 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 119 CO -0.14 0.78 -0.04 0.52 -0.73 0.00 0.00 179.01 179.40 2k0f h MET 120 N 1.18 -0.11 -0.53 1.92 2.86 -1.36 -2.44 114.93 116.45 2k0f h MET 120 Ca 0.32 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.00 2k0f h MET 120 Cb -0.11 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2k0f h MET 120 CO -0.07 0.10 0.30 0.82 1.06 0.00 0.00 176.91 179.12 2k0f h ILE 121 N -0.30 1.02 0.00 -1.22 2.04 -1.26 -2.63 117.51 115.15 2k0f h ILE 121 Ca -0.01 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2k0f h ILE 121 Cb 0.26 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2k0f h ILE 121 CO 0.02 0.11 -0.15 0.03 0.00 0.00 0.00 178.15 178.16 2k0f h ARG 122 N 0.59 0.00 -0.38 2.37 3.08 -1.23 0.19 114.38 119.01 2k0f h ARG 122 Ca 0.22 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 2k0f h ARG 122 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2k0f h ARG 122 CO -0.12 0.15 -0.21 1.49 -1.07 0.00 0.00 179.97 180.20 2k0f h GLU 123 N 0.00 0.75 0.09 0.04 4.81 -1.17 -3.33 114.58 115.77 2k0f h GLU 123 Ca -0.00 -0.29 -0.32 0.00 -0.13 0.00 0.00 59.36 58.61 2k0f h GLU 123 Cb 0.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 123 CO 0.02 0.90 -1.76 0.00 -0.73 0.00 0.00 179.01 177.43 2k0f h ALA 124 N 1.10 0.37 -2.72 2.92 0.00 -1.17 -3.48 119.26 116.28 2k0f h ALA 124 Ca 0.09 -1.33 -0.51 0.00 0.00 0.00 0.00 54.91 53.16 2k0f h ALA 124 Cb 0.71 0.71 0.01 0.00 0.00 0.00 0.00 17.79 19.22 2k0f h ALA 124 CO 0.05 1.12 0.47 0.34 0.00 0.00 0.00 179.25 181.23 2k0f s ASP 125 N -7.00 7.28 -0.20 0.00 2.15 0.03 -4.71 116.67 114.22 2k0f s ASP 125 Ca -0.24 2.15 -0.12 0.00 0.43 0.00 0.00 52.55 54.78 2k0f s ASP 125 Cb 0.06 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 125 CO 0.72 -0.17 -0.28 -0.38 -0.17 0.00 0.00 175.17 174.88 2k0f n ILE 126 N 1.89 1.25 -0.09 4.11 5.41 -1.26 -4.57 119.36 126.09 2k0f n ILE 126 Ca 0.01 -0.21 -0.15 0.00 1.00 0.00 0.00 62.75 63.41 2k0f n ILE 126 Cb 0.46 -1.87 -0.04 0.00 -0.71 0.00 0.00 39.64 37.47 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.78 0.96 0.00 4.38 3.04 -1.94 -3.48 116.42 118.60 2k0f h ASP 127 Ca -0.45 -0.52 0.00 0.00 -3.24 0.00 0.00 57.03 52.82 2k0f h ASP 127 Cb 1.35 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 2k0f h ASP 127 CO -0.27 1.29 0.00 0.61 -2.04 0.00 0.00 179.24 178.83 2k0f n GLY 128 N 0.32 1.34 0.02 7.15 0.00 -1.26 -5.01 105.19 107.75 2k0f n GLY 128 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.09 -1.25 1.61 5.75 -1.26 -4.89 116.55 116.60 2k0f n ASP 129 Ca 0.00 -0.14 -0.13 0.00 -0.01 0.00 0.00 54.79 54.51 2k0f n ASP 129 Cb 0.00 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.31 0.55 3.29 6.12 0.00 -1.26 -5.02 105.19 110.18 2k0f n GLY 130 Ca 0.13 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -3.92 2.08 -0.35 1.61 1.11 -1.26 -4.44 119.66 114.48 2k0f s GLN 131 Ca 0.00 -0.89 -0.13 0.00 0.01 0.00 0.00 55.36 54.35 2k0f s GLN 131 Cb 0.00 -1.98 -0.01 0.00 -1.01 0.00 0.00 33.01 30.02 2k0f s GLN 131 CO 0.00 0.52 0.25 0.08 0.01 0.00 0.00 175.29 176.15 2k0f s VAL 132 N -0.54 5.25 0.70 1.09 1.01 -0.03 -4.82 120.40 123.07 2k0f s VAL 132 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 2k0f s VAL 132 Cb -0.10 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.61 2k0f s VAL 132 CO -0.00 -0.07 1.00 0.21 0.00 0.00 0.00 175.10 176.23 2k0f s ASN 133 N 1.71 4.69 0.19 3.32 2.47 -1.26 -0.30 114.94 125.75 2k0f s ASN 133 Ca 0.06 0.27 -0.06 0.00 0.42 0.00 0.00 52.86 53.54 2k0f s ASN 133 Cb -0.18 -0.87 0.10 0.00 -1.45 0.00 0.00 41.25 38.85 2k0f s ASN 133 CO 0.10 -1.65 1.56 0.10 -3.72 0.00 0.00 177.10 173.50 2k0f h TYR 134 N -0.57 0.95 -0.69 0.43 -0.00 -1.98 -2.81 116.97 112.30 2k0f h TYR 134 Ca -0.43 -0.25 0.17 0.00 0.00 0.00 0.00 58.73 58.22 2k0f h TYR 134 Cb 1.30 -0.21 -0.04 0.00 0.00 0.00 0.00 36.73 37.78 2k0f h TYR 134 CO 0.16 1.02 0.48 0.93 -0.00 0.00 0.00 178.16 180.74 2k0f h GLU 135 N 0.69 0.19 0.00 0.10 4.39 -1.94 -2.15 114.58 115.87 2k0f h GLU 135 Ca 0.08 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.50 2k0f h GLU 135 Cb 0.85 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 2k0f h GLU 135 CO 0.07 0.13 -1.44 0.93 -1.16 0.00 0.00 179.01 177.54 2k0f h GLU 136 N 0.20 0.01 0.63 2.33 5.08 -1.84 -3.18 114.58 117.81 2k0f h GLU 136 Ca 0.34 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 136 Cb 1.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.29 2k0f h GLU 136 CO -0.06 0.70 -0.30 0.35 -1.00 0.00 0.00 179.01 178.69 2k0f h PHE 137 N 0.00 -0.78 -0.72 4.33 3.57 -1.21 -3.01 116.94 119.12 2k0f h PHE 137 Ca -0.18 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 137 Cb 1.92 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.88 2k0f h PHE 137 CO 0.00 -0.49 0.50 -0.39 -2.23 0.00 0.00 178.31 175.70 2k0f h VAL 138 N -1.11 0.74 0.04 1.41 -1.51 -1.52 -2.72 116.25 111.59 2k0f h VAL 138 Ca -0.09 -0.09 -0.24 0.00 -1.23 0.00 0.00 66.70 65.06 2k0f h VAL 138 Cb 0.65 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2k0f h VAL 138 CO 0.14 0.05 -1.03 -0.61 -1.23 0.00 0.00 177.57 174.89 2k0f h GLN 139 N 0.26 0.32 -0.31 5.19 4.15 -1.60 -2.00 115.11 121.12 2k0f h GLN 139 Ca 0.35 -0.41 0.06 0.00 0.77 0.00 0.00 58.65 59.43 2k0f h GLN 139 Cb 1.02 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 2k0f h GLN 139 CO -0.08 1.11 -0.02 1.98 -1.93 0.00 0.00 178.83 179.90 2k0f h MET 140 N 0.16 0.07 -0.24 1.69 4.05 -1.37 -3.24 114.93 116.04 2k0f h MET 140 Ca -0.09 -0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.15 2k0f h MET 140 Cb 1.69 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.48 2k0f h MET 140 CO 0.17 0.04 -0.57 0.52 0.23 0.00 0.00 176.91 177.31 2k0f h MET 141 N 0.07 0.74 0.00 0.39 2.86 -1.44 -3.52 114.93 114.03 2k0f h MET 141 Ca 0.15 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2k0f h MET 141 Cb 0.20 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2k0f h MET 141 CO -0.26 1.11 0.00 0.25 1.06 0.00 0.00 176.91 179.06