#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 0.00 -0.78 4.39 -2.04 0.19 114.58 116.34 2k0f h GLU 2 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.36 -0.94 0.93 -1.16 0.00 0.00 179.01 178.20 2k0f h GLU 3 N 0.00 0.00 0.11 2.33 5.08 -2.04 0.27 114.58 120.33 2k0f h GLU 3 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2k0f h GLU 3 Cb 0.94 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.22 2k0f h GLU 3 CO 0.05 0.10 -1.19 0.37 -1.00 0.00 0.00 179.01 177.34 2k0f h GLN 4 N 0.00 0.61 -0.88 2.33 4.15 -1.84 -2.57 115.11 116.92 2k0f h GLN 4 Ca -0.04 -0.81 0.07 0.00 0.77 0.00 0.00 58.65 58.65 2k0f h GLN 4 Cb 1.17 0.26 -0.06 0.00 0.21 0.00 0.00 27.48 29.06 2k0f h GLN 4 CO 0.02 1.36 0.57 0.82 -1.93 0.00 0.00 178.83 179.67 2k0f h ILE 5 N 0.24 1.04 -0.58 2.39 1.08 -0.78 -0.25 117.51 120.65 2k0f h ILE 5 Ca -0.18 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 63.87 2k0f h ILE 5 Cb 1.87 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 2k0f h ILE 5 CO 0.23 0.18 -0.00 0.00 -0.69 0.00 0.00 178.15 177.86 2k0f h ALA 6 N 1.53 0.89 -0.05 1.87 0.00 -0.54 -0.84 119.26 122.13 2k0f h ALA 6 Ca 0.38 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 6 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 6 CO -0.15 0.65 -0.35 1.49 0.00 0.00 0.00 179.25 180.89 2k0f h GLU 7 N 0.93 0.09 -0.33 0.00 4.81 -0.83 0.11 114.58 119.35 2k0f h GLU 7 Ca 0.17 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 7 Cb 0.54 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 7 CO 0.03 0.43 -0.47 0.74 -0.73 0.00 0.00 179.01 179.01 2k0f h PHE 8 N 0.08 1.11 -0.18 0.92 0.04 -1.04 -2.04 116.94 115.84 2k0f h PHE 8 Ca 0.01 -0.37 -0.09 0.00 2.80 0.00 0.00 57.97 60.32 2k0f h PHE 8 Cb 0.66 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2k0f h PHE 8 CO 0.00 1.20 -0.29 -0.22 -0.60 0.00 0.00 178.31 178.40 2k0f h LYS 9 N 0.70 0.34 0.00 1.51 3.64 -0.67 0.33 116.57 122.42 2k0f h LYS 9 Ca 0.03 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.15 2k0f h LYS 9 Cb 1.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2k0f h LYS 9 CO 0.11 0.60 -0.63 0.93 -2.27 0.00 0.00 179.45 178.19 2k0f h GLU 10 N 0.30 0.00 0.02 1.90 4.39 -0.75 -0.48 114.58 119.96 2k0f h GLU 10 Ca 0.04 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 10 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2k0f h GLU 10 CO 0.05 0.63 -0.94 0.00 -1.16 0.00 0.00 179.01 177.59 2k0f h ALA 11 N 1.37 0.43 -0.33 3.43 0.00 -1.09 -2.82 119.26 120.26 2k0f h ALA 11 Ca -0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 11 Cb 1.40 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2k0f h ALA 11 CO 0.08 0.94 -0.07 0.35 0.00 0.00 0.00 179.25 180.55 2k0f h PHE 12 N 0.10 0.57 0.00 0.00 3.57 0.08 -3.12 116.94 118.14 2k0f h PHE 12 Ca -0.06 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 12 Cb 1.60 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.18 2k0f h PHE 12 CO 0.03 0.60 -0.16 1.03 -2.23 0.00 0.00 178.31 177.59 2k0f h SER 13 N 0.50 0.00 0.86 0.41 0.87 -0.96 -3.36 113.55 111.88 2k0f h SER 13 Ca 0.10 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2k0f h SER 13 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2k0f h SER 13 CO 0.02 0.16 -0.48 0.25 -0.53 0.00 0.00 176.83 176.26 2k0f h LEU 14 N 0.00 -1.17 -0.60 2.23 5.85 -1.44 -2.89 115.31 117.30 2k0f h LEU 14 Ca -0.00 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 14 Cb 0.74 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2k0f h LEU 14 CO 0.02 -0.76 -0.45 -0.26 -0.34 0.00 0.00 178.44 176.64 2k0f h PHE 15 N -1.24 0.00 -3.35 1.25 -1.00 -1.79 -3.46 116.94 107.35 2k0f h PHE 15 Ca -0.12 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.13 2k0f h PHE 15 Cb 0.97 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 2k0f h PHE 15 CO -0.06 0.45 0.45 0.34 -1.61 0.00 0.00 178.31 177.88 2k0f s ASP 16 N -6.46 7.27 -0.04 2.17 2.15 -1.09 -4.44 116.67 116.21 2k0f s ASP 16 Ca 0.01 1.83 -0.04 0.00 0.43 0.00 0.00 52.55 54.78 2k0f s ASP 16 Cb 0.10 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 16 CO 0.71 -0.32 -0.08 0.29 -0.17 0.00 0.00 175.17 175.60 2k0f n LYS 17 N 3.74 0.13 -2.92 4.34 4.76 -1.26 -4.81 118.16 122.13 2k0f n LYS 17 Ca 0.07 0.13 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 2k0f n LYS 17 Cb 0.49 -0.81 -0.04 0.00 -1.84 0.00 0.00 35.03 32.83 2k0f n LYS 17 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2k0f s ASP 18 N -4.38 7.02 -1.29 4.39 1.47 -1.26 -4.97 116.67 117.65 2k0f s ASP 18 Ca -0.06 1.24 -0.09 0.00 1.18 0.00 0.00 52.55 54.81 2k0f s ASP 18 Cb 0.01 -2.45 0.16 0.00 -0.34 0.00 0.00 42.92 40.29 2k0f s ASP 18 CO 0.10 -0.28 1.95 0.61 0.68 0.00 0.00 175.17 178.22 2k0f n GLY 19 N 3.27 4.81 0.04 2.12 0.00 -1.26 -4.62 105.19 109.55 2k0f n GLY 19 Ca 0.03 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 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 5.62 0.00 0.00 1.61 2.03 -1.99 -3.49 116.42 120.20 2k0f h ASP 20 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 2k0f h ASP 20 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 2k0f h ASP 20 CO 1.62 0.42 0.00 0.61 -1.03 0.00 0.00 179.24 180.87 2k0f n GLY 21 N 1.68 0.00 3.12 7.15 0.00 -1.26 -5.15 105.19 110.73 2k0f n GLY 21 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.02 -0.21 2.61 -4.23 -1.26 -4.09 115.64 108.48 2k0f s THR 22 Ca 0.00 -0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 60.09 2k0f s THR 22 Cb 0.00 -0.37 -0.01 0.00 1.34 0.00 0.00 72.50 73.46 2k0f s THR 22 CO 0.00 -0.10 0.79 -0.63 -0.54 0.00 0.00 174.62 174.14 2k0f s ILE 23 N -0.32 4.89 0.21 2.99 1.01 -0.86 -4.95 121.20 124.17 2k0f s ILE 23 Ca -0.04 1.51 0.05 0.00 0.00 0.00 0.00 60.65 62.17 2k0f s ILE 23 Cb -0.03 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2k0f s ILE 23 CO 0.01 0.00 0.23 0.42 0.00 0.00 0.00 174.94 175.60 2k0f s THR 24 N 2.40 4.80 0.12 2.92 -4.23 -1.26 -2.44 115.64 117.96 2k0f s THR 24 Ca 0.35 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 24 Cb -0.16 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.33 2k0f s THR 24 CO 0.10 -0.23 0.72 0.35 -0.54 0.00 0.00 174.62 175.02 2k0f n THR 25 N -0.90 -0.21 -0.24 3.99 -2.24 -1.26 -1.20 114.28 112.23 2k0f n THR 25 Ca -0.08 1.07 -0.01 0.00 -2.27 0.00 0.00 64.05 62.76 2k0f n THR 25 Cb 0.56 -1.46 0.10 0.00 -2.10 0.00 0.00 70.33 67.43 2k0f n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2k0f h LYS 26 N 0.00 0.68 0.00 -0.78 1.57 -1.97 0.22 116.57 116.29 2k0f h LYS 26 Ca 0.21 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2k0f h LYS 26 Cb 0.32 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2k0f h LYS 26 CO -0.47 0.45 0.00 0.93 -0.57 0.00 0.00 179.45 179.79 2k0f h GLU 27 N 0.70 0.00 0.21 3.15 5.08 -1.44 0.17 114.58 122.44 2k0f h GLU 27 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2k0f h GLU 27 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 27 CO -0.18 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.66 2k0f h LEU 28 N 0.00 -0.23 -0.43 1.33 3.38 -1.25 -3.38 115.31 114.73 2k0f h LEU 28 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2k0f h LEU 28 Cb 0.87 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2k0f h LEU 28 CO 0.00 -0.01 0.02 1.23 0.09 0.00 0.00 178.44 179.77 2k0f h GLY 29 N -0.60 0.45 2.00 0.83 0.00 -0.20 -2.38 103.07 103.17 2k0f h GLY 29 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2k0f h GLY 29 CO 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 176.54 176.46 2k0f h THR 30 N 0.13 0.48 0.12 4.70 1.03 -0.91 -1.20 112.91 117.27 2k0f h THR 30 Ca 0.21 -0.16 -0.23 0.00 -0.01 0.00 0.00 66.41 66.22 2k0f h THR 30 Cb 0.30 1.10 0.01 0.00 -1.07 0.00 0.00 68.15 68.49 2k0f h THR 30 CO -0.33 0.03 -1.14 0.58 -0.01 0.00 0.00 175.52 174.64 2k0f h VAL 31 N 0.00 1.24 -0.80 0.00 2.07 -1.61 -3.22 116.25 113.93 2k0f h VAL 31 Ca -0.00 -2.45 0.07 0.00 0.82 0.00 0.00 66.70 65.14 2k0f h VAL 31 Cb 0.10 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 2k0f h VAL 31 CO 0.00 0.70 0.47 0.24 0.02 0.00 0.00 177.57 179.01 2k0f h MET 32 N -0.36 0.82 -0.65 1.57 2.07 -1.18 0.28 114.93 117.47 2k0f h MET 32 Ca -0.23 -0.05 0.19 0.00 -2.07 0.00 0.00 59.70 57.54 2k0f h MET 32 Cb 1.69 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 31.21 2k0f h MET 32 CO 0.09 0.54 0.59 -0.09 1.07 0.00 0.00 176.91 179.11 2k0f h ARG 33 N 0.84 0.00 0.03 1.72 2.43 -1.32 -0.38 114.38 117.70 2k0f h ARG 33 Ca 0.37 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 33 Cb 0.24 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 2k0f h ARG 33 CO -0.20 0.00 -2.36 0.43 -1.51 0.00 0.00 179.97 176.33 2k0f n SER 34 N -3.87 1.86 -0.05 -3.80 7.64 -0.10 -4.53 113.62 110.77 2k0f n SER 34 Ca 0.13 -0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 2k0f n SER 34 Cb 0.83 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.56 2k0f n SER 34 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 35 N 0.01 0.29 0.00 -3.43 3.38 -0.26 -3.49 115.31 111.81 2k0f h LEU 35 Ca -0.54 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 56.99 2k0f h LEU 35 Cb 1.95 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2k0f h LEU 35 CO -0.04 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.76 2k0f n GLY 36 N 0.08 1.00 3.89 0.83 0.00 -0.17 -5.07 105.19 105.74 2k0f n GLY 36 Ca -0.06 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 2.15 3.35 -0.41 1.61 -0.21 -1.24 -4.59 119.66 120.32 2k0f s GLN 37 Ca 0.00 0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.89 2k0f s GLN 37 Cb 0.00 -2.16 0.11 0.00 1.00 0.00 0.00 33.01 31.97 2k0f s GLN 37 CO 0.00 -0.60 0.15 1.21 -2.12 0.00 0.00 175.29 173.93 2k0f s ASN 38 N -4.22 4.41 0.97 5.90 3.84 -1.26 -3.82 114.94 120.77 2k0f s ASN 38 Ca 0.54 -2.48 -0.14 0.00 0.21 0.00 0.00 52.86 50.99 2k0f s ASN 38 Cb -0.11 -1.50 0.17 0.00 -0.55 0.00 0.00 41.25 39.26 2k0f s ASN 38 CO 0.50 -0.32 1.14 -2.16 -2.79 0.00 0.00 177.10 173.48 2k0f s PRO 39 N 0.46 0.65 0.69 0.43 0.04 -1.26 -5.00 135.00 131.02 2k0f s PRO 39 Ca 0.14 0.22 -0.10 0.00 0.04 0.00 0.00 61.00 61.30 2k0f s PRO 39 Cb -0.22 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2k0f s PRO 39 CO -0.06 -2.51 1.05 0.95 0.04 0.00 0.00 177.00 176.47 2k0f s THR 40 N -3.24 3.15 -0.41 1.26 -4.23 -1.26 -4.92 115.64 105.98 2k0f s THR 40 Ca 0.66 0.20 0.26 0.00 -1.18 0.00 0.00 61.69 61.63 2k0f s THR 40 Cb -0.14 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.65 2k0f s THR 40 CO 0.54 -0.41 1.77 -0.33 -0.54 0.00 0.00 174.62 175.65 2k0f h GLU 41 N -0.60 0.00 0.61 3.99 5.08 -1.97 -2.39 114.58 119.30 2k0f h GLU 41 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2k0f h GLU 41 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 2k0f h GLU 41 CO 0.63 0.00 -0.29 0.00 -1.00 0.00 0.00 179.01 178.35 2k0f h ALA 42 N 2.25 -0.82 -0.11 3.43 0.00 -1.98 -2.36 119.26 119.67 2k0f h ALA 42 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 42 Cb 0.49 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k0f h ALA 42 CO 0.00 -0.91 0.07 0.93 0.00 0.00 0.00 179.25 179.34 2k0f h GLU 43 N -0.91 0.15 -0.54 0.00 5.08 -1.89 -1.08 114.58 115.39 2k0f h GLU 43 Ca -0.08 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 43 Cb 0.66 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 43 CO 0.14 0.12 0.16 -0.07 -1.00 0.00 0.00 179.01 178.36 2k0f h LEU 44 N 0.13 0.75 0.13 1.33 3.38 -1.56 -2.47 115.31 117.00 2k0f h LEU 44 Ca 0.04 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.56 2k0f h LEU 44 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2k0f h LEU 44 CO -0.01 0.72 -1.69 -0.61 0.09 0.00 0.00 178.44 176.94 2k0f h GLN 45 N 0.79 0.28 -0.55 1.13 4.15 -1.16 -2.15 115.11 117.60 2k0f h GLN 45 Ca 0.18 -0.47 0.01 0.00 0.77 0.00 0.00 58.65 59.14 2k0f h GLN 45 Cb 0.24 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2k0f h GLN 45 CO -0.01 1.14 0.36 0.22 -1.93 0.00 0.00 178.83 178.62 2k0f h ASP 46 N 0.08 0.61 0.27 -0.69 1.82 -1.25 -0.60 116.42 116.66 2k0f h ASP 46 Ca -0.31 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 2k0f h ASP 46 Cb 2.05 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.91 2k0f h ASP 46 CO 0.15 0.44 -0.13 -0.03 -1.61 0.00 0.00 179.24 178.06 2k0f h MET 47 N 0.72 -0.35 -0.85 0.28 4.05 -1.32 -1.91 114.93 115.55 2k0f h MET 47 Ca 0.21 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2k0f h MET 47 Cb -0.05 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 2k0f h MET 47 CO -0.05 -0.01 0.56 0.82 0.23 0.00 0.00 176.91 178.46 2k0f h ILE 48 N -0.90 1.18 0.00 1.77 2.04 -1.29 -2.37 117.51 117.94 2k0f h ILE 48 Ca -0.04 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2k0f h ILE 48 Cb 0.51 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2k0f h ILE 48 CO 0.06 0.20 -0.05 0.78 0.00 0.00 0.00 178.15 179.15 2k0f h ASN 49 N 1.11 0.00 -0.19 1.72 2.35 -1.20 -0.90 115.58 118.47 2k0f h ASN 49 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2k0f h ASN 49 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2k0f h ASN 49 CO -0.09 0.05 0.11 -0.08 -1.65 0.00 0.00 177.43 175.77 2k0f h GLU 50 N 0.00 0.23 0.05 0.81 4.57 -0.99 -3.35 114.58 115.89 2k0f h GLU 50 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 50 Cb 0.44 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2k0f h GLU 50 CO 0.01 0.15 -0.02 0.28 -1.18 0.00 0.00 179.01 178.24 2k0f h VAL 51 N 0.24 1.17 -1.84 0.32 2.07 -0.79 -3.47 116.25 113.95 2k0f h VAL 51 Ca 0.07 -0.73 -0.66 0.00 0.82 0.00 0.00 66.70 66.20 2k0f h VAL 51 Cb -0.01 1.65 0.07 0.00 -1.52 0.00 0.00 31.29 31.48 2k0f h VAL 51 CO -0.03 0.18 0.36 -0.67 0.02 0.00 0.00 177.57 177.44 2k0f n ASP 52 N -4.97 1.51 -0.03 0.57 2.03 -0.44 -4.95 116.55 110.28 2k0f n ASP 52 Ca -0.08 1.13 -0.03 0.00 0.52 0.00 0.00 54.79 56.33 2k0f n ASP 52 Cb 0.19 -1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 39.35 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 1.97 1.88 0.05 -1.67 0.00 -1.26 -4.86 120.51 116.62 2k0f n ALA 53 Ca 0.16 -0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 2k0f n ALA 53 Cb 0.22 0.25 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 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 0.70 0.00 0.00 3.04 -1.94 -3.48 116.42 114.73 2k0f h ASP 54 Ca -0.13 -0.82 0.00 0.00 -3.24 0.00 0.00 57.03 52.85 2k0f h ASP 54 Cb 1.25 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2k0f h ASP 54 CO -0.01 1.44 0.00 0.61 -2.04 0.00 0.00 179.24 179.24 2k0f n GLY 55 N 1.29 1.20 0.13 7.15 0.00 -1.26 -5.03 105.19 108.67 2k0f n GLY 55 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 1.04 0.10 0.00 1.61 7.08 -1.98 -3.47 115.58 119.95 2k0f h ASN 56 Ca 0.00 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 2k0f h ASN 56 Cb 0.00 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.21 2k0f h ASN 56 CO 0.00 0.76 0.00 0.61 -2.08 0.00 0.00 177.43 176.72 2k0f n GLY 57 N 0.47 0.65 2.96 9.14 0.00 -1.26 -5.06 105.19 112.09 2k0f n GLY 57 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.18 -0.15 2.61 -4.23 -1.26 -4.63 115.64 106.16 2k0f s THR 58 Ca 0.00 -0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 59.64 2k0f s THR 58 Cb 0.00 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 2k0f s THR 58 CO 0.00 -0.26 1.64 -0.63 -0.54 0.00 0.00 174.62 174.83 2k0f s ILE 59 N -0.84 3.65 0.40 2.99 1.01 -1.02 -4.84 121.20 122.54 2k0f s ILE 59 Ca -0.08 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.36 2k0f s ILE 59 Cb -0.06 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 2k0f s ILE 59 CO -0.00 -0.18 0.58 -1.81 0.00 0.00 0.00 174.94 173.52 2k0f s ASP 60 N 3.93 5.83 0.15 3.58 1.11 -1.26 -2.02 116.67 128.00 2k0f s ASP 60 Ca 0.73 -0.02 -0.19 0.00 0.18 0.00 0.00 52.55 53.24 2k0f s ASP 60 Cb -0.28 -1.26 0.05 0.00 1.07 0.00 0.00 42.92 42.49 2k0f s ASP 60 CO 0.29 -0.62 1.67 0.15 1.18 0.00 0.00 175.17 177.84 2k0f h PHE 61 N 0.62 -0.27 0.00 4.23 3.57 -1.96 -1.33 116.94 121.80 2k0f h PHE 61 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.26 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.17 2k0f h PHE 61 CO 0.43 -0.18 -0.01 -1.00 -2.23 0.00 0.00 178.31 175.32 2k0f h PRO 62 N -0.06 0.00 0.16 6.41 0.13 -1.96 -1.60 132.00 135.08 2k0f h PRO 62 Ca 0.15 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.98 2k0f h PRO 62 Cb 0.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.43 2k0f h PRO 62 CO -0.35 0.01 -1.41 0.93 -0.23 0.00 0.00 178.00 176.95 2k0f h GLU 63 N 0.00 0.34 0.02 0.86 5.08 -1.67 -0.61 114.58 118.61 2k0f h GLU 63 Ca -0.00 -0.59 0.03 0.00 -1.00 0.00 0.00 59.36 57.80 2k0f h GLU 63 Cb 0.02 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 63 CO 0.00 1.26 -0.29 0.35 -1.00 0.00 0.00 179.01 179.33 2k0f h PHE 64 N 0.09 -0.78 -0.94 4.33 3.57 -1.24 0.11 116.94 122.08 2k0f h PHE 64 Ca -0.21 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.40 2k0f h PHE 64 Cb 2.04 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 41.06 2k0f h PHE 64 CO 0.08 -0.38 0.61 -0.07 -2.23 0.00 0.00 178.31 176.32 2k0f h LEU 65 N -0.45 0.92 -0.71 0.59 3.38 -1.24 -1.42 115.31 116.39 2k0f h LEU 65 Ca 0.06 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 65 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 65 CO -0.23 0.57 0.04 0.74 0.09 0.00 0.00 178.44 179.65 2k0f h THR 66 N 1.03 1.26 -0.51 0.22 2.02 -1.05 -2.86 112.91 113.02 2k0f h THR 66 Ca 0.42 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 2k0f h THR 66 Cb 0.27 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2k0f h THR 66 CO -0.18 0.40 -0.09 -0.03 0.37 0.00 0.00 175.52 175.99 2k0f h MET 67 N 0.95 0.93 0.00 6.66 1.85 -0.21 -3.02 114.93 122.09 2k0f h MET 67 Ca 0.18 -0.32 -0.15 0.00 -0.61 0.00 0.00 59.70 58.79 2k0f h MET 67 Cb 0.50 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 2k0f h MET 67 CO 0.02 0.98 -0.73 0.52 -0.40 0.00 0.00 176.91 177.29 2k0f h MET 68 N 0.83 0.00 0.00 0.39 2.07 -1.27 -3.04 114.93 113.92 2k0f h MET 68 Ca 0.14 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.71 2k0f h MET 68 Cb 0.62 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 2k0f h MET 68 CO 0.04 0.73 -0.28 0.00 1.07 0.00 0.00 176.91 178.48 2k0f h ALA 69 N 1.27 1.20 -2.73 6.32 0.00 -1.42 -3.44 119.26 120.45 2k0f h ALA 69 Ca -0.01 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 2k0f h ALA 69 Cb 1.37 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 69 CO 0.10 0.35 0.59 1.03 0.00 0.00 0.00 179.25 181.31 2k0f s ARG 70 N -3.96 4.46 0.02 0.00 0.52 -1.15 -5.00 118.95 113.83 2k0f s ARG 70 Ca -0.02 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 2k0f s ARG 70 Cb 0.13 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 2k0f s ARG 70 CO 0.66 -0.12 -0.03 0.15 0.02 0.00 0.00 175.30 175.98 2k0f s LYS 71 N -0.63 0.26 0.57 3.54 -0.14 -1.26 -5.01 119.74 117.07 2k0f s LYS 71 Ca 0.52 -0.43 0.09 0.00 -1.36 0.00 0.00 55.97 54.80 2k0f s LYS 71 Cb -0.35 -0.02 0.09 0.00 -1.68 0.00 0.00 37.83 35.87 2k0f s LYS 71 CO 0.40 -0.01 0.76 -1.33 -0.76 0.00 0.00 175.35 174.42 2k0f n MET 72 N 2.10 0.62 -0.08 1.68 2.81 -1.26 -5.10 117.12 117.88 2k0f n MET 72 Ca -0.20 -3.08 -0.09 0.00 -1.81 0.00 0.00 57.70 52.52 2k0f n MET 72 Cb 0.57 -0.20 -0.03 0.00 -0.71 0.00 0.00 33.22 32.84 2k0f n MET 72 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k0f n LYS 73 N -2.21 0.50 0.00 0.03 5.02 -1.26 -4.90 118.16 115.34 2k0f n LYS 73 Ca 0.15 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2k0f n LYS 73 Cb 0.59 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 74 N -4.41 0.00 0.17 4.39 8.00 -1.26 -4.83 116.55 118.61 2k0f n ASP 74 Ca -0.14 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.38 2k0f n ASP 74 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.88 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 1.17 -0.94 -3.53 1.35 -2.00 -1.91 112.91 107.05 2k0f h THR 75 Ca 0.00 -1.74 0.05 0.00 -0.55 0.00 0.00 66.41 64.17 2k0f h THR 75 Cb 0.00 1.98 -0.06 0.00 -1.73 0.00 0.00 68.15 68.35 2k0f h THR 75 CO 0.00 0.47 0.62 0.44 -0.25 0.00 0.00 175.52 176.79 2k0f h ASP 76 N 0.00 1.00 0.03 5.36 3.32 -1.98 -2.15 116.42 122.00 2k0f h ASP 76 Ca -0.00 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 2k0f h ASP 76 Cb 0.95 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2k0f h ASP 76 CO 0.06 0.66 -0.67 0.28 -1.72 0.00 0.00 179.24 177.85 2k0f h SER 77 N 1.14 0.69 0.51 6.45 0.02 -1.67 -3.07 113.55 117.63 2k0f h SER 77 Ca 0.39 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2k0f h SER 77 Cb 0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2k0f h SER 77 CO -0.13 1.18 -0.24 -0.33 -1.14 0.00 0.00 176.83 176.16 2k0f h GLU 78 N 0.43 -0.66 -0.36 3.45 5.08 -1.49 -3.29 114.58 117.74 2k0f h GLU 78 Ca -0.02 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 78 Cb 1.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2k0f h GLU 78 CO 0.13 -0.36 0.28 1.49 -1.00 0.00 0.00 179.01 179.55 2k0f h GLU 79 N -1.01 0.00 0.03 2.33 4.57 -1.46 -0.94 114.58 118.10 2k0f h GLU 79 Ca -0.07 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2k0f h GLU 79 Cb 0.61 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2k0f h GLU 79 CO 0.11 0.00 -0.18 1.49 -1.18 0.00 0.00 179.01 179.25 2k0f h GLU 80 N 0.00 -0.30 -0.77 1.92 4.81 -1.66 0.13 114.58 118.71 2k0f h GLU 80 Ca 0.17 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 80 Cb 0.72 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2k0f h GLU 80 CO -0.00 -0.20 0.27 0.82 -0.73 0.00 0.00 179.01 179.16 2k0f h ILE 81 N -0.31 1.26 -0.24 2.32 1.08 -1.31 -2.45 117.51 117.85 2k0f h ILE 81 Ca 0.05 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 2k0f h ILE 81 Cb 0.37 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2k0f h ILE 81 CO -0.16 0.35 0.13 0.03 -0.69 0.00 0.00 178.15 177.82 2k0f h ARG 82 N 1.14 0.33 -0.12 2.37 3.08 -0.98 -1.04 114.38 119.16 2k0f h ARG 82 Ca 0.25 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 2k0f h ARG 82 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2k0f h ARG 82 CO -0.01 0.31 -0.36 0.93 -1.07 0.00 0.00 179.97 179.76 2k0f h GLU 83 N 0.27 0.25 -0.65 0.04 4.39 -0.76 -2.98 114.58 115.15 2k0f h GLU 83 Ca 0.08 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 83 Cb 0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 83 CO -0.01 0.59 0.15 0.00 -1.16 0.00 0.00 179.01 178.58 2k0f h ALA 84 N 1.41 1.05 -0.15 3.43 0.00 -1.12 -3.06 119.26 120.82 2k0f h ALA 84 Ca 0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 84 Cb 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 84 CO 0.06 0.63 -0.47 0.35 0.00 0.00 0.00 179.25 179.81 2k0f h PHE 85 N 0.97 0.45 0.00 0.00 3.04 -1.16 -3.25 116.94 116.99 2k0f h PHE 85 Ca 0.21 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2k0f h PHE 85 Cb 0.35 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.77 2k0f h PHE 85 CO 0.02 0.78 0.00 -0.09 -2.02 0.00 0.00 178.31 177.00 2k0f h ARG 86 N 0.30 0.00 -0.03 1.11 2.43 -1.41 -1.58 114.38 115.19 2k0f h ARG 86 Ca 0.02 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2k0f h ARG 86 Cb 0.95 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2k0f h ARG 86 CO 0.08 0.00 -0.27 0.28 -1.51 0.00 0.00 179.97 178.55 2k0f h VAL 87 N 0.00 1.48 0.80 0.20 2.07 -1.59 -3.38 116.25 115.83 2k0f h VAL 87 Ca 0.00 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 2k0f h VAL 87 Cb 0.34 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2k0f h VAL 87 CO 0.00 0.50 -0.39 -0.26 0.02 0.00 0.00 177.57 177.45 2k0f h PHE 88 N -0.34 -1.00 -1.21 1.57 0.04 -1.58 -3.40 116.94 111.01 2k0f h PHE 88 Ca -0.03 -0.02 -0.46 0.00 2.80 0.00 0.00 57.97 60.26 2k0f h PHE 88 Cb 0.97 0.33 -0.07 0.00 2.20 0.00 0.00 35.95 39.38 2k0f h PHE 88 CO 0.15 -0.61 1.14 0.34 -0.60 0.00 0.00 178.31 178.73 2k0f s ASP 89 N -4.32 5.80 0.07 2.17 2.15 -0.63 -4.67 116.67 117.23 2k0f s ASP 89 Ca -0.16 -0.83 -0.16 0.00 0.43 0.00 0.00 52.55 51.84 2k0f s ASP 89 Cb 0.02 -2.56 -0.18 0.00 -0.30 0.00 0.00 42.92 39.90 2k0f s ASP 89 CO 0.50 -2.12 1.25 0.11 -0.17 0.00 0.00 175.17 174.74 2k0f h LYS 90 N 11.01 0.64 -0.34 4.34 1.79 -1.81 -3.31 116.57 128.90 2k0f h LYS 90 Ca 0.05 -0.54 0.03 0.00 -2.18 0.00 0.00 60.65 58.01 2k0f h LYS 90 Cb 1.03 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 2k0f h LYS 90 CO 1.30 1.16 0.14 0.38 -1.08 0.00 0.00 179.45 181.36 2k0f h ASP 91 N 0.30 0.19 0.00 0.86 3.04 -1.95 -3.47 116.42 115.39 2k0f h ASP 91 Ca -0.05 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2k0f h ASP 91 Cb 1.29 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2k0f h ASP 91 CO 0.13 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 178.09 2k0f n GLY 92 N -1.20 1.15 0.07 7.15 0.00 -1.25 -5.04 105.19 106.07 2k0f n GLY 92 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.92 -3.47 115.58 110.73 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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.98 0.00 0.61 0.07 0.00 0.00 177.43 179.09 2k0f n GLY 94 N 1.44 0.98 2.97 9.14 0.00 -1.26 -5.07 105.19 113.38 2k0f n GLY 94 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 2.63 -0.42 1.61 2.02 -1.26 -3.90 117.35 116.03 2k0f s TYR 95 Ca 0.00 -1.93 -0.29 0.00 -0.37 0.00 0.00 57.07 54.48 2k0f s TYR 95 Cb 0.00 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2k0f s TYR 95 CO 0.00 -0.81 1.22 0.42 -1.57 0.00 0.00 175.55 174.81 2k0f s ILE 96 N 1.31 4.15 1.16 2.71 1.01 -0.74 -4.84 121.20 125.96 2k0f s ILE 96 Ca -0.06 1.21 -0.17 0.00 0.00 0.00 0.00 60.65 61.64 2k0f s ILE 96 Cb -0.19 -4.43 0.27 0.00 0.01 0.00 0.00 42.46 38.12 2k0f s ILE 96 CO -0.06 -0.82 1.08 -0.94 0.00 0.00 0.00 174.94 174.19 2k0f s SER 97 N 2.80 1.24 0.41 3.58 1.04 -1.26 -1.88 113.70 119.63 2k0f s SER 97 Ca 0.52 0.88 0.23 0.00 0.48 0.00 0.00 55.95 58.06 2k0f s SER 97 Cb -0.10 -1.31 0.69 0.00 0.10 0.00 0.00 66.02 65.39 2k0f s SER 97 CO 0.29 -3.95 1.72 0.00 0.98 0.00 0.00 173.24 172.28 2k0f h ALA 98 N -2.46 0.94 0.15 5.32 0.00 -1.95 -1.53 119.26 119.73 2k0f h ALA 98 Ca -0.49 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 53.87 2k0f h ALA 98 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k0f h ALA 98 CO 0.43 0.30 -1.66 0.00 0.00 0.00 0.00 179.25 178.32 2k0f h ALA 99 N 1.76 0.22 0.00 0.00 0.00 -1.97 -0.89 119.26 118.38 2k0f h ALA 99 Ca -0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 54.91 53.72 2k0f h ALA 99 Cb 0.91 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2k0f h ALA 99 CO 0.03 1.09 -0.25 0.93 0.00 0.00 0.00 179.25 181.05 2k0f h GLU 100 N 0.09 0.00 -0.02 0.00 5.08 -1.85 -0.22 114.58 117.65 2k0f h GLU 100 Ca -0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 100 Cb 2.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2k0f h GLU 100 CO 0.17 0.25 -0.42 1.25 -1.00 0.00 0.00 179.01 179.26 2k0f h LEU 101 N 0.00 0.41 0.06 1.33 5.85 -1.35 -2.74 115.31 118.88 2k0f h LEU 101 Ca -0.00 -0.73 0.03 0.00 0.84 0.00 0.00 57.88 58.02 2k0f h LEU 101 Cb 0.96 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 101 CO 0.03 1.08 -0.37 0.03 -0.34 0.00 0.00 178.44 178.88 2k0f h ARG 102 N -0.22 -0.54 -0.82 1.25 3.08 -1.08 -2.87 114.38 113.18 2k0f h ARG 102 Ca -0.05 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.18 2k0f h ARG 102 Cb 1.13 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.21 2k0f h ARG 102 CO 0.08 -0.36 0.41 0.45 -1.07 0.00 0.00 179.97 179.48 2k0f h HIS 103 N -0.56 0.72 -0.66 3.04 3.86 -1.13 -2.20 115.15 118.22 2k0f h HIS 103 Ca 0.04 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 2k0f h HIS 103 Cb 0.62 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 2k0f h HIS 103 CO -0.35 0.18 0.12 0.28 0.86 0.00 0.00 177.93 179.02 2k0f h VAL 104 N 0.61 1.26 0.02 2.45 2.07 -1.41 -2.77 116.25 118.47 2k0f h VAL 104 Ca 0.44 -1.01 -0.21 0.00 0.82 0.00 0.00 66.70 66.73 2k0f h VAL 104 Cb 0.60 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2k0f h VAL 104 CO -0.35 0.38 -1.00 0.24 0.02 0.00 0.00 177.57 176.86 2k0f h MET 105 N 1.01 0.05 -0.40 1.57 2.07 -1.27 -2.02 114.93 115.94 2k0f h MET 105 Ca 0.20 -0.08 0.02 0.00 -2.07 0.00 0.00 59.70 57.78 2k0f h MET 105 Cb 0.42 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 2k0f h MET 105 CO 0.01 1.01 0.22 1.15 1.07 0.00 0.00 176.91 180.37 2k0f h THR 106 N 0.02 1.02 -0.17 2.22 2.02 -1.35 -0.94 112.91 115.72 2k0f h THR 106 Ca -0.03 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 2k0f h THR 106 Cb 1.74 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2k0f h THR 106 CO 0.14 0.08 -0.30 0.78 0.37 0.00 0.00 175.52 176.59 2k0f h ASN 107 N 0.45 0.34 0.90 4.18 2.35 -1.26 -3.16 115.58 119.38 2k0f h ASN 107 Ca 0.16 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2k0f h ASN 107 Cb 0.04 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2k0f h ASN 107 CO -0.09 0.63 -0.06 0.18 -1.65 0.00 0.00 177.43 176.44 2k0f n LEU 108 N -4.10 0.07 0.00 1.61 4.77 -0.78 -4.93 117.00 113.64 2k0f n LEU 108 Ca -0.01 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2k0f n LEU 108 Cb 0.42 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2k0f n LEU 108 CO 0.41 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2k0f n GLY 109 N 1.48 0.99 3.51 -0.72 0.00 -0.96 -4.82 105.19 104.66 2k0f n GLY 109 Ca 0.08 -0.02 -0.37 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 -0.09 3.79 -0.85 1.61 0.41 -0.40 -5.04 118.70 118.14 2k0f s GLU 110 Ca 0.00 -0.41 -0.16 0.00 -0.41 0.00 0.00 54.97 53.99 2k0f s GLU 110 Cb 0.00 -3.42 0.19 0.00 -1.78 0.00 0.00 34.13 29.11 2k0f s GLU 110 CO 0.00 -0.14 0.87 0.21 -0.49 0.00 0.00 175.26 175.72 2k0f s LYS 111 N 1.53 3.58 0.53 1.61 2.20 -1.26 -4.09 119.74 123.83 2k0f s LYS 111 Ca 0.06 -2.20 -0.04 0.00 -0.36 0.00 0.00 55.97 53.43 2k0f s LYS 111 Cb -0.15 -4.57 0.00 0.00 -1.51 0.00 0.00 37.83 31.60 2k0f s LYS 111 CO 0.06 -1.45 0.81 -0.51 -0.36 0.00 0.00 175.35 173.90 2k0f s LEU 112 N 1.03 3.41 0.43 5.43 1.43 -1.26 -5.11 118.68 124.04 2k0f s LEU 112 Ca 0.22 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 2k0f s LEU 112 Cb -0.09 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 2k0f s LEU 112 CO -0.08 -0.90 0.44 0.42 0.23 0.00 0.00 176.35 176.45 2k0f s THR 113 N -2.82 2.62 0.34 5.49 -4.23 -1.26 -5.01 115.64 110.77 2k0f s THR 113 Ca 0.51 -1.27 0.18 0.00 -1.18 0.00 0.00 61.69 59.93 2k0f s THR 113 Cb -0.10 -2.90 0.16 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 113 CO 0.43 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.83 2k0f h ASP 114 N 0.89 0.00 -0.47 3.99 3.32 -2.00 -2.21 116.42 119.94 2k0f h ASP 114 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2k0f h ASP 114 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2k0f h ASP 114 CO 0.54 0.29 0.31 1.05 -1.72 0.00 0.00 179.24 179.71 2k0f h GLU 115 N 0.00 0.63 0.00 3.56 4.11 -1.99 -2.87 114.58 118.02 2k0f h GLU 115 Ca -0.00 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 0.60 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 115 CO 0.04 0.43 -1.24 0.93 0.07 0.00 0.00 179.01 179.23 2k0f h GLU 116 N 0.65 0.00 0.44 1.06 5.08 -1.79 -2.51 114.58 117.50 2k0f h GLU 116 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 116 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 116 CO -0.04 0.25 -0.34 0.28 -1.00 0.00 0.00 179.01 178.17 2k0f h VAL 117 N 0.00 0.00 -0.54 3.13 2.07 -1.49 -2.54 116.25 116.88 2k0f h VAL 117 Ca -0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2k0f h VAL 117 Cb 1.46 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2k0f h VAL 117 CO 0.04 0.00 0.18 -0.78 0.02 0.00 0.00 177.57 177.03 2k0f h ASP 118 N -0.75 0.16 -0.56 0.57 3.58 -1.61 -2.44 116.42 115.35 2k0f h ASP 118 Ca -0.06 0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.56 2k0f h ASP 118 Cb 0.63 0.07 -0.11 0.00 1.72 0.00 0.00 39.33 41.64 2k0f h ASP 118 CO 0.01 0.11 -0.37 -0.08 -2.88 0.00 0.00 179.24 176.03 2k0f h GLU 119 N 0.35 -0.19 -0.32 0.28 4.81 -1.46 -0.81 114.58 117.23 2k0f h GLU 119 Ca 0.27 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2k0f h GLU 119 Cb 0.33 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 119 CO -0.29 -0.13 -0.12 0.52 -0.73 0.00 0.00 179.01 178.26 2k0f h MET 120 N -0.20 -0.06 -0.53 1.92 2.86 -1.31 -2.14 114.93 115.48 2k0f h MET 120 Ca 0.21 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 120 Cb 0.56 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2k0f h MET 120 CO -0.67 -0.04 0.02 0.97 1.06 0.00 0.00 176.91 178.25 2k0f h ILE 121 N -0.06 1.26 -0.35 -1.22 2.10 -1.07 -2.47 117.51 115.70 2k0f h ILE 121 Ca 0.16 -1.07 -0.14 0.00 1.08 0.00 0.00 64.86 64.90 2k0f h ILE 121 Cb 0.31 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 36.94 2k0f h ILE 121 CO -0.37 0.38 -0.33 0.08 -1.08 0.00 0.00 178.15 176.83 2k0f h ARG 122 N 0.79 0.79 -0.86 2.19 0.11 -1.19 -1.84 114.38 114.37 2k0f h ARG 122 Ca 0.15 -0.38 -0.02 0.00 0.10 0.00 0.00 59.98 59.84 2k0f h ARG 122 Cb 0.50 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.54 2k0f h ARG 122 CO 0.02 1.00 0.47 1.49 0.10 0.00 0.00 179.97 183.06 2k0f h GLU 123 N 0.66 1.20 0.00 0.08 4.81 -1.24 -2.96 114.58 117.13 2k0f h GLU 123 Ca 0.07 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 123 Cb 0.88 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2k0f h GLU 123 CO 0.08 0.88 -0.42 0.00 -0.73 0.00 0.00 179.01 178.81 2k0f h ALA 124 N 1.25 0.76 -2.57 2.92 0.00 -1.31 -3.45 119.26 116.85 2k0f h ALA 124 Ca 0.30 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 124 Cb 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 124 CO -0.05 0.53 0.59 0.34 0.00 0.00 0.00 179.25 180.66 2k0f s ASP 125 N -6.41 7.03 -0.15 0.00 2.15 -0.70 -4.85 116.67 113.74 2k0f s ASP 125 Ca 0.04 2.17 -0.14 0.00 0.43 0.00 0.00 52.55 55.05 2k0f s ASP 125 Cb 0.08 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 125 CO 0.72 -0.46 -0.28 -0.38 -0.17 0.00 0.00 175.17 174.60 2k0f n ILE 126 N 3.31 1.39 0.77 4.11 5.41 -1.26 -4.73 119.36 128.36 2k0f n ILE 126 Ca 0.07 0.06 0.13 0.00 1.00 0.00 0.00 62.75 64.01 2k0f n ILE 126 Cb 0.45 -2.09 0.49 0.00 -0.71 0.00 0.00 39.64 37.78 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.20 0.47 0.00 4.38 5.68 -1.26 -4.91 116.55 116.71 2k0f n ASP 127 Ca -0.20 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 2k0f n ASP 127 Cb 0.53 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 1.34 0.16 0.20 6.12 0.00 -1.26 -4.96 105.19 106.78 2k0f n GLY 128 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.61 2.03 -1.97 -3.47 116.42 114.62 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 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 0.35 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 2k0f n GLY 130 N 0.01 0.39 3.91 7.15 0.00 -1.26 -5.08 105.19 110.31 2k0f n GLY 130 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.88 3.60 -0.49 1.61 1.11 -1.26 -4.74 119.66 118.61 2k0f s GLN 131 Ca 0.00 -0.10 -0.11 0.00 0.01 0.00 0.00 55.36 55.15 2k0f s GLN 131 Cb 0.00 -2.72 0.12 0.00 -1.01 0.00 0.00 33.01 29.40 2k0f s GLN 131 CO 0.00 0.29 0.39 0.08 0.01 0.00 0.00 175.29 176.06 2k0f s VAL 132 N -1.98 4.56 0.79 1.09 1.01 -0.79 -4.82 120.40 120.26 2k0f s VAL 132 Ca 0.42 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 2k0f s VAL 132 Cb -0.11 -3.95 0.12 0.00 0.00 0.00 0.00 36.38 32.44 2k0f s VAL 132 CO 0.29 -0.78 1.11 0.54 0.00 0.00 0.00 175.10 176.26 2k0f s ASN 133 N 2.92 4.14 0.13 3.32 2.20 -1.26 -1.79 114.94 124.60 2k0f s ASN 133 Ca 0.05 0.20 -0.22 0.00 -0.94 0.00 0.00 52.86 51.95 2k0f s ASN 133 Cb -0.27 -0.58 -0.01 0.00 -2.00 0.00 0.00 41.25 38.39 2k0f s ASN 133 CO 0.01 -2.04 1.67 0.22 -2.94 0.00 0.00 177.10 174.02 2k0f h TYR 134 N -0.93 -0.34 -0.31 1.54 3.20 -1.98 -0.73 116.97 117.42 2k0f h TYR 134 Ca -0.42 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.41 2k0f h TYR 134 Cb 1.28 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 2k0f h TYR 134 CO -0.28 -0.20 -0.07 0.93 -1.64 0.00 0.00 178.16 176.90 2k0f h GLU 135 N -0.15 0.51 -0.58 1.82 5.08 -1.95 0.32 114.58 119.62 2k0f h GLU 135 Ca 0.10 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 135 Cb 0.30 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 135 CO -0.25 0.59 0.22 0.93 -1.00 0.00 0.00 179.01 179.50 2k0f h GLU 136 N 0.47 0.40 0.01 2.33 5.08 -1.87 -3.14 114.58 117.87 2k0f h GLU 136 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 136 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 136 CO 0.02 0.26 -0.08 0.35 -1.00 0.00 0.00 179.01 178.57 2k0f h PHE 137 N 0.41 -0.20 -0.90 4.33 3.57 0.54 -3.13 116.94 121.56 2k0f h PHE 137 Ca 0.28 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.84 2k0f h PHE 137 Cb 0.32 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 2k0f h PHE 137 CO -0.16 -0.13 0.57 0.28 -2.23 0.00 0.00 178.31 176.65 2k0f h VAL 138 N -0.15 1.09 0.02 1.41 2.07 -1.02 0.48 116.25 120.16 2k0f h VAL 138 Ca 0.03 -0.36 -0.21 0.00 0.82 0.00 0.00 66.70 66.98 2k0f h VAL 138 Cb 0.18 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2k0f h VAL 138 CO -0.07 0.19 -0.94 -0.61 0.02 0.00 0.00 177.57 176.16 2k0f h GLN 139 N 1.06 0.14 0.51 1.57 4.15 -1.67 -3.13 115.11 117.74 2k0f h GLN 139 Ca 0.38 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 2k0f h GLN 139 Cb 0.11 0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.86 2k0f h GLN 139 CO -0.15 0.97 -0.25 1.98 -1.93 0.00 0.00 178.83 179.45 2k0f h MET 140 N 0.06 -0.66 -4.01 1.69 4.05 -1.46 -3.39 114.93 111.21 2k0f h MET 140 Ca -0.04 0.05 -0.75 0.00 -0.28 0.00 0.00 59.70 58.67 2k0f h MET 140 Cb 1.60 0.15 -0.16 0.00 -0.80 0.00 0.00 31.60 32.40 2k0f h MET 140 CO 0.14 -0.44 1.84 -1.33 0.23 0.00 0.00 176.91 177.34 2k0f n MET 141 N -4.35 3.50 0.00 0.39 2.81 0.17 -5.10 117.12 114.54 2k0f n MET 141 Ca -0.09 -3.60 0.12 0.00 -1.81 0.00 0.00 57.70 52.32 2k0f n MET 141 Cb 0.27 -2.99 0.70 0.00 -0.71 0.00 0.00 33.22 30.49 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73