#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 0.02 -0.62 1.09 3.07 -2.05 -0.25 114.58 115.83 2k0f h GLU 2 Ca 0.00 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2k0f h GLU 2 Cb 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2k0f h GLU 2 CO 0.00 0.01 0.41 0.93 -1.40 0.00 0.00 179.01 178.96 2k0f h GLU 3 N 0.02 0.63 -0.39 2.33 4.39 -2.04 -1.36 114.58 118.16 2k0f h GLU 3 Ca 0.33 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 2k0f h GLU 3 Cb 0.51 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2k0f h GLU 3 CO -0.67 0.42 0.03 0.37 -1.16 0.00 0.00 179.01 178.00 2k0f h GLN 4 N 0.65 0.67 -0.30 2.33 4.15 -1.48 -1.28 115.11 119.86 2k0f h GLN 4 Ca 0.26 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 4 Cb 0.21 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2k0f h GLN 4 CO -0.08 0.75 -0.09 0.82 -1.93 0.00 0.00 178.83 178.30 2k0f h ILE 5 N 0.51 1.22 0.29 2.39 2.04 -1.04 -1.76 117.51 121.15 2k0f h ILE 5 Ca 0.12 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2k0f h ILE 5 Cb 0.42 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2k0f h ILE 5 CO 0.01 0.31 -0.14 0.00 0.00 0.00 0.00 178.15 178.33 2k0f h ALA 6 N 1.45 -0.39 -0.01 1.87 0.00 -1.28 -0.38 119.26 120.52 2k0f h ALA 6 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 6 Cb 0.44 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 6 CO 0.02 -0.47 0.01 0.93 0.00 0.00 0.00 179.25 179.74 2k0f h GLU 7 N -0.88 0.00 -0.00 0.00 3.07 -1.29 -1.64 114.58 113.84 2k0f h GLU 7 Ca -0.04 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 2k0f h GLU 7 Cb 0.52 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 2k0f h GLU 7 CO 0.06 0.00 -0.72 0.74 -1.40 0.00 0.00 179.01 177.70 2k0f h PHE 8 N 0.00 0.03 -0.21 4.33 0.04 -1.20 -2.70 116.94 117.23 2k0f h PHE 8 Ca 0.00 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2k0f h PHE 8 Cb 0.02 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2k0f h PHE 8 CO 0.00 0.73 -0.37 -0.22 -0.60 0.00 0.00 178.31 177.85 2k0f h LYS 9 N 0.01 0.45 -0.66 1.51 3.64 -0.11 -1.51 116.57 119.91 2k0f h LYS 9 Ca -0.01 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 2k0f h LYS 9 Cb 1.27 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2k0f h LYS 9 CO 0.09 0.76 0.36 0.93 -2.27 0.00 0.00 179.45 179.32 2k0f h GLU 10 N 0.38 0.92 -0.54 1.90 4.39 -1.51 -1.58 114.58 118.54 2k0f h GLU 10 Ca 0.04 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 10 Cb 0.82 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2k0f h GLU 10 CO 0.07 0.70 0.32 0.00 -1.16 0.00 0.00 179.01 178.94 2k0f h ALA 11 N 1.18 0.70 0.00 3.43 0.00 -1.24 -2.37 119.26 120.95 2k0f h ALA 11 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2k0f h ALA 11 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k0f h ALA 11 CO -0.04 0.18 -0.19 0.35 0.00 0.00 0.00 179.25 179.56 2k0f h PHE 12 N 0.73 0.00 0.00 0.00 3.57 -1.24 -2.36 116.94 117.65 2k0f h PHE 12 Ca 0.19 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 2k0f h PHE 12 Cb -0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2k0f h PHE 12 CO -0.02 0.19 -0.75 1.03 -2.23 0.00 0.00 178.31 176.52 2k0f h SER 13 N 0.00 0.00 1.50 0.41 0.87 -0.94 -3.34 113.55 112.05 2k0f h SER 13 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k0f h SER 13 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2k0f h SER 13 CO 0.02 0.53 0.00 0.25 -0.53 0.00 0.00 176.83 177.10 2k0f h LEU 14 N 0.00 0.00 -0.08 2.23 5.85 -0.91 -2.87 115.31 119.53 2k0f h LEU 14 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 14 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2k0f h LEU 14 CO 0.06 0.00 0.00 -0.26 -0.34 0.00 0.00 178.44 177.90 2k0f h PHE 15 N 0.00 0.00 -3.41 1.25 0.04 -1.68 -3.44 116.94 109.70 2k0f h PHE 15 Ca 0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 2k0f h PHE 15 Cb 0.75 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.80 2k0f h PHE 15 CO 0.00 0.00 -0.14 0.34 -0.60 0.00 0.00 178.31 177.91 2k0f s ASP 16 N -5.93 6.56 0.15 2.17 -1.08 -1.09 -4.72 116.67 112.73 2k0f s ASP 16 Ca 0.07 0.66 0.22 0.00 -0.52 0.00 0.00 52.55 52.99 2k0f s ASP 16 Cb 0.06 -2.26 -0.05 0.00 -1.46 0.00 0.00 42.92 39.20 2k0f s ASP 16 CO 0.65 -0.07 0.94 1.17 0.52 0.00 0.00 175.17 178.39 2k0f n LYS 17 N 4.22 0.60 -0.09 4.34 4.81 -1.26 -4.30 118.16 126.48 2k0f n LYS 17 Ca -0.07 0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.28 2k0f n LYS 17 Cb 0.51 -1.76 -0.08 0.00 0.02 0.00 0.00 35.03 33.73 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2k0f h ASP 18 N 0.00 0.00 0.00 3.14 3.32 -1.94 -3.48 116.42 117.46 2k0f h ASP 18 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2k0f h ASP 18 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2k0f h ASP 18 CO 0.00 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.30 2k0f n GLY 19 N 1.52 0.94 0.07 2.75 0.00 -1.26 -5.00 105.19 104.21 2k0f n GLY 19 Ca -0.21 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.49 116.42 114.63 2k0f h ASP 20 Ca 0.00 -0.88 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 2k0f h ASP 20 Cb 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 2k0f h ASP 20 CO 0.00 0.93 0.00 0.61 -1.03 0.00 0.00 179.24 179.75 2k0f n GLY 21 N 1.59 3.39 3.78 7.15 0.00 -1.26 -5.14 105.19 114.69 2k0f n GLY 21 Ca -0.09 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 3.36 -0.20 2.61 -4.23 -1.26 -5.01 115.64 110.91 2k0f s THR 22 Ca 0.00 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 2k0f s THR 22 Cb 0.00 -3.42 0.06 0.00 1.34 0.00 0.00 72.50 70.48 2k0f s THR 22 CO 0.00 -0.11 0.01 -0.63 -0.54 0.00 0.00 174.62 173.35 2k0f s ILE 23 N -1.73 0.79 0.32 2.99 -1.09 -1.26 -4.89 121.20 116.32 2k0f s ILE 23 Ca 0.67 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 2k0f s ILE 23 Cb -0.23 -1.22 0.06 0.00 -1.58 0.00 0.00 42.46 39.49 2k0f s ILE 23 CO 0.28 -0.16 0.44 0.35 -1.23 0.00 0.00 174.94 174.62 2k0f n THR 24 N 4.95 0.00 0.03 2.92 -2.24 -1.26 -3.00 114.28 115.68 2k0f n THR 24 Ca -0.10 -0.80 -0.19 0.00 -2.27 0.00 0.00 64.05 60.70 2k0f n THR 24 Cb 0.46 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.55 2k0f n THR 24 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2k0f h THR 25 N -0.30 1.49 -0.70 4.28 2.02 -1.92 -3.27 112.91 114.52 2k0f h THR 25 Ca -0.14 -2.36 -0.00 0.00 0.77 0.00 0.00 66.41 64.67 2k0f h THR 25 Cb 0.58 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.95 2k0f h THR 25 CO 0.17 0.67 0.43 0.11 0.37 0.00 0.00 175.52 177.28 2k0f h LYS 26 N -0.30 0.94 -0.45 6.66 1.57 -1.96 -2.93 116.57 120.10 2k0f h LYS 26 Ca -0.11 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2k0f h LYS 26 Cb 1.50 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.54 2k0f h LYS 26 CO 0.13 0.65 0.06 1.49 -0.57 0.00 0.00 179.45 181.21 2k0f h GLU 27 N 0.96 0.17 -0.06 3.15 4.81 -1.94 -1.72 114.58 119.94 2k0f h GLU 27 Ca 0.25 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2k0f h GLU 27 Cb -0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 27 CO -0.05 0.12 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.22 2k0f h LEU 28 N 0.18 -0.17 -1.07 1.64 3.38 -1.60 0.10 115.31 117.77 2k0f h LEU 28 Ca 0.22 0.04 0.39 0.00 0.09 0.00 0.00 57.88 58.62 2k0f h LEU 28 Cb 0.30 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 40.98 2k0f h LEU 28 CO -0.32 -0.08 0.61 1.23 0.09 0.00 0.00 178.44 179.97 2k0f h GLY 29 N -0.07 2.04 1.51 0.83 0.00 -1.32 0.60 103.07 106.66 2k0f h GLY 29 Ca 0.05 -0.17 -0.28 0.00 0.00 0.00 0.00 47.33 46.93 2k0f h GLY 29 CO -0.10 -0.64 -1.33 -0.84 0.00 0.00 0.00 176.54 173.63 2k0f h THR 30 N 0.12 1.38 -0.16 4.70 2.02 0.08 -1.36 112.91 119.68 2k0f h THR 30 Ca 0.81 -3.00 -0.01 0.00 0.77 0.00 0.00 66.41 64.98 2k0f h THR 30 Cb 2.13 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 71.38 2k0f h THR 30 CO -0.66 0.86 0.07 0.58 0.37 0.00 0.00 175.52 176.75 2k0f h VAL 31 N 0.06 1.14 -0.77 3.16 2.07 -0.58 -2.87 116.25 118.47 2k0f h VAL 31 Ca -0.16 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2k0f h VAL 31 Cb 1.96 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 2k0f h VAL 31 CO 0.17 0.13 0.46 0.24 0.02 0.00 0.00 177.57 178.60 2k0f h MET 32 N 0.13 0.84 0.00 1.57 2.86 -0.89 -1.53 114.93 117.91 2k0f h MET 32 Ca 0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 32 Cb 0.14 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2k0f h MET 32 CO -0.01 0.56 -0.03 -0.09 1.06 0.00 0.00 176.91 178.40 2k0f h ARG 33 N 0.87 0.00 0.20 1.72 2.43 -1.15 -1.96 114.38 116.48 2k0f h ARG 33 Ca 0.33 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 33 Cb 0.13 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2k0f h ARG 33 CO -0.16 0.03 -1.59 1.03 -1.51 0.00 0.00 179.97 177.77 2k0f h SER 34 N 0.00 0.68 0.54 -3.80 0.87 -1.09 -3.41 113.55 107.34 2k0f h SER 34 Ca -0.00 -0.93 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 2k0f h SER 34 Cb 0.08 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2k0f h SER 34 CO 0.00 1.73 -0.29 -0.07 -0.53 0.00 0.00 176.83 177.68 2k0f h LEU 35 N 0.06 -0.70 0.00 2.23 3.38 -1.13 -3.45 115.31 115.70 2k0f h LEU 35 Ca -0.30 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2k0f h LEU 35 Cb 2.08 0.19 0.00 0.00 0.09 0.00 0.00 40.66 43.02 2k0f h LEU 35 CO 0.20 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 178.87 2k0f n GLY 36 N -1.38 -1.04 3.89 0.83 0.00 -0.76 -5.05 105.19 101.68 2k0f n GLY 36 Ca -0.09 0.67 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 1.28 3.25 -0.28 1.61 -0.21 -1.25 -4.66 119.66 119.39 2k0f s GLN 37 Ca 0.00 0.44 -0.01 0.00 0.02 0.00 0.00 55.36 55.81 2k0f s GLN 37 Cb 0.00 -2.15 0.05 0.00 1.00 0.00 0.00 33.01 31.91 2k0f s GLN 37 CO 0.00 -0.67 -0.03 -0.80 -2.12 0.00 0.00 175.29 171.67 2k0f s ASN 38 N -4.24 4.70 1.06 5.90 -0.87 -1.26 -4.10 114.94 116.13 2k0f s ASN 38 Ca 0.54 -1.21 -0.12 0.00 -1.57 0.00 0.00 52.86 50.50 2k0f s ASN 38 Cb -0.11 -1.68 0.23 0.00 -0.02 0.00 0.00 41.25 39.67 2k0f s ASN 38 CO 0.50 -0.22 1.06 -2.84 -2.57 0.00 0.00 177.10 173.03 2k0f s PRO 39 N 1.24 -0.13 0.76 -0.60 0.02 -1.26 -5.06 135.00 129.97 2k0f s PRO 39 Ca -0.05 0.87 -0.11 0.00 0.02 0.00 0.00 61.00 61.74 2k0f s PRO 39 Cb -0.19 -1.64 0.05 0.00 0.02 0.00 0.00 34.50 32.73 2k0f s PRO 39 CO -0.02 -3.20 1.08 0.95 -0.33 0.00 0.00 177.00 175.48 2k0f s THR 40 N -2.65 3.50 0.47 0.99 -4.23 -1.26 -4.94 115.64 107.52 2k0f s THR 40 Ca 0.67 0.49 0.18 0.00 -1.18 0.00 0.00 61.69 61.85 2k0f s THR 40 Cb -0.22 -3.07 0.23 0.00 1.34 0.00 0.00 72.50 70.78 2k0f s THR 40 CO 0.61 -0.63 2.06 -0.08 -0.54 0.00 0.00 174.62 176.04 2k0f h GLU 41 N -1.02 0.00 0.03 3.99 4.81 -1.97 -2.64 114.58 117.77 2k0f h GLU 41 Ca -0.44 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2k0f h GLU 41 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2k0f h GLU 41 CO 0.54 0.12 -0.10 0.00 -0.73 0.00 0.00 179.01 178.84 2k0f h ALA 42 N 1.88 -0.13 0.23 2.92 0.00 -1.99 -2.99 119.26 119.18 2k0f h ALA 42 Ca -0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 42 Cb 0.23 0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 42 CO 0.02 -0.60 -1.45 1.05 0.00 0.00 0.00 179.25 178.26 2k0f h GLU 43 N -0.18 0.49 -0.66 0.00 4.11 -1.92 -2.48 114.58 113.93 2k0f h GLU 43 Ca 0.03 -0.84 0.17 0.00 0.07 0.00 0.00 59.36 58.79 2k0f h GLU 43 Cb 0.21 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 43 CO -0.08 1.40 0.47 -0.07 0.07 0.00 0.00 179.01 180.80 2k0f h LEU 44 N 0.13 0.12 0.00 3.06 3.38 -1.57 -0.13 115.31 120.31 2k0f h LEU 44 Ca -0.24 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 2k0f h LEU 44 Cb 2.14 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.84 2k0f h LEU 44 CO 0.26 0.06 -1.20 -0.61 0.09 0.00 0.00 178.44 177.04 2k0f h GLN 45 N 0.13 0.00 -0.72 1.13 4.15 -1.46 -3.25 115.11 115.09 2k0f h GLN 45 Ca 0.32 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.68 2k0f h GLN 45 Cb 1.08 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 2k0f h GLN 45 CO -0.04 0.38 0.23 0.22 -1.93 0.00 0.00 178.83 177.68 2k0f h ASP 46 N 0.00 1.04 -0.68 -0.69 3.58 -0.58 0.57 116.42 119.65 2k0f h ASP 46 Ca -0.13 -0.19 0.14 0.00 0.42 0.00 0.00 57.03 57.28 2k0f h ASP 46 Cb 1.57 -0.27 -0.12 0.00 1.72 0.00 0.00 39.33 42.22 2k0f h ASP 46 CO 0.06 0.97 -0.09 0.24 -2.88 0.00 0.00 179.24 177.53 2k0f h MET 47 N 1.07 0.05 -0.08 0.28 2.86 -1.39 0.14 114.93 117.85 2k0f h MET 47 Ca 0.23 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 47 Cb 0.30 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2k0f h MET 47 CO -0.01 0.03 -0.09 0.82 1.06 0.00 0.00 176.91 178.72 2k0f h ILE 48 N 0.05 1.37 -0.04 -1.22 2.04 -1.42 -3.26 117.51 115.03 2k0f h ILE 48 Ca 0.35 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2k0f h ILE 48 Cb 0.56 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2k0f h ILE 48 CO -0.65 0.35 0.03 0.78 0.00 0.00 0.00 178.15 178.66 2k0f h ASN 49 N -0.22 0.04 -0.66 1.72 2.35 -0.10 0.13 115.58 118.85 2k0f h ASN 49 Ca 0.01 -0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.90 2k0f h ASN 49 Cb 0.61 -0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.86 2k0f h ASN 49 CO 0.02 0.03 0.06 -0.08 -1.65 0.00 0.00 177.43 175.82 2k0f h GLU 50 N 0.05 0.17 -0.00 0.81 4.81 -0.79 -3.31 114.58 116.31 2k0f h GLU 50 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 50 Cb 0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 50 CO -0.00 0.11 -0.67 1.33 -0.73 0.00 0.00 179.01 179.04 2k0f n VAL 51 N -5.23 0.00 -1.77 0.32 0.24 0.32 -4.98 118.33 107.22 2k0f n VAL 51 Ca 0.11 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.82 2k0f n VAL 51 Cb 0.39 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 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 -2.45 6.47 -0.05 -1.34 -1.08 -0.32 -4.71 116.67 113.20 2k0f s ASP 52 Ca 0.09 2.67 -0.04 0.00 -0.52 0.00 0.00 52.55 54.75 2k0f s ASP 52 Cb 0.13 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 2k0f s ASP 52 CO 0.63 -0.98 0.23 0.00 0.52 0.00 0.00 175.17 175.57 2k0f h ALA 53 N 8.83 -0.21 0.00 3.66 0.00 -1.93 -3.44 119.26 126.16 2k0f h ALA 53 Ca -0.45 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 53 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 53 CO 0.94 -0.20 -1.24 -0.40 0.00 0.00 0.00 179.25 178.35 2k0f n ASP 54 N -3.86 0.75 0.00 0.00 5.75 -1.26 -5.01 116.55 112.92 2k0f n ASP 54 Ca -0.02 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 2k0f n ASP 54 Cb 0.06 0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 55 N 1.26 0.68 0.22 6.12 0.00 -1.26 -4.97 105.19 107.24 2k0f n GLY 55 Ca -0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.52 0.00 1.61 7.08 -1.99 -3.48 115.58 119.33 2k0f h ASN 56 Ca 0.00 -0.22 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 2k0f h ASN 56 Cb 0.00 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.09 2k0f h ASN 56 CO 0.00 0.85 0.00 0.61 -2.08 0.00 0.00 177.43 176.81 2k0f n GLY 57 N -0.10 1.06 3.63 9.14 0.00 -1.26 -5.10 105.19 112.56 2k0f n GLY 57 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.95 -0.44 2.61 -4.23 -1.26 -4.64 115.64 109.63 2k0f s THR 58 Ca 0.00 -0.46 -0.28 0.00 -1.18 0.00 0.00 61.69 59.77 2k0f s THR 58 Cb 0.00 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.18 2k0f s THR 58 CO 0.00 0.55 1.58 -0.51 -0.54 0.00 0.00 174.62 175.70 2k0f s ILE 59 N -0.89 3.69 0.34 2.99 2.07 -1.16 -4.95 121.20 123.28 2k0f s ILE 59 Ca 0.14 0.66 0.07 0.00 -1.41 0.00 0.00 60.65 60.11 2k0f s ILE 59 Cb -0.11 -4.05 -0.02 0.00 0.13 0.00 0.00 42.46 38.41 2k0f s ILE 59 CO 0.04 -0.75 0.37 -1.81 -1.91 0.00 0.00 174.94 170.88 2k0f s ASP 60 N 5.14 5.52 0.10 4.50 1.01 -1.26 -4.30 116.67 127.39 2k0f s ASP 60 Ca 0.66 -0.40 -0.18 0.00 0.71 0.00 0.00 52.55 53.34 2k0f s ASP 60 Cb -0.16 -1.03 -0.07 0.00 1.01 0.00 0.00 42.92 42.68 2k0f s ASP 60 CO 0.30 -0.41 1.57 0.15 0.21 0.00 0.00 175.17 176.99 2k0f h PHE 61 N 1.09 0.49 0.00 4.23 3.57 -1.95 -1.82 116.94 122.54 2k0f h PHE 61 Ca -0.45 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 61 Cb 1.26 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k0f h PHE 61 CO 0.49 0.57 0.00 -0.35 -2.23 0.00 0.00 178.31 176.78 2k0f n PRO 62 N -4.65 0.12 0.00 6.41 -0.04 -1.26 -1.09 135.00 134.49 2k0f n PRO 62 Ca -0.03 0.53 -0.18 0.00 -0.04 0.00 0.00 63.50 63.78 2k0f n PRO 62 Cb 0.21 -1.83 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 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 0.18 -0.53 0.54 5.08 -1.66 -2.60 114.58 115.59 2k0f h GLU 63 Ca 0.00 -0.31 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 63 Cb 0.13 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 63 CO 0.00 1.15 -0.44 0.35 -1.00 0.00 0.00 179.01 179.07 2k0f h PHE 64 N -0.62 -1.28 -0.98 4.33 3.57 -1.27 -1.76 116.94 118.93 2k0f h PHE 64 Ca -0.09 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2k0f h PHE 64 Cb 1.38 0.63 -0.06 0.00 2.79 0.00 0.00 35.95 40.70 2k0f h PHE 64 CO 0.23 -0.43 0.64 -0.07 -2.23 0.00 0.00 178.31 176.45 2k0f h LEU 65 N -0.26 1.03 -0.83 0.59 3.38 -1.17 -1.99 115.31 116.06 2k0f h LEU 65 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2k0f h LEU 65 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 65 CO -0.65 0.68 -0.03 0.74 0.09 0.00 0.00 178.44 179.27 2k0f h THR 66 N 1.18 1.25 -0.22 0.22 2.02 -1.31 -2.09 112.91 113.96 2k0f h THR 66 Ca 0.41 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.54 2k0f h THR 66 Cb 0.10 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2k0f h THR 66 CO -0.15 0.38 0.06 -0.03 0.37 0.00 0.00 175.52 176.15 2k0f h MET 67 N 0.78 0.14 0.00 6.66 -1.53 -0.87 -2.64 114.93 117.47 2k0f h MET 67 Ca 0.14 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 2k0f h MET 67 Cb 0.51 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.53 2k0f h MET 67 CO 0.03 0.10 -0.33 -1.33 0.14 0.00 0.00 176.91 175.51 2k0f n MET 68 N -5.07 0.21 0.06 0.39 2.00 -0.79 -3.12 117.12 110.80 2k0f n MET 68 Ca -0.02 0.11 0.13 0.00 0.00 0.00 0.00 57.70 57.91 2k0f n MET 68 Cb 0.09 -1.68 0.49 0.00 0.00 0.00 0.00 33.22 32.12 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f n ALA 69 N -1.73 2.19 -2.58 3.04 0.00 -0.80 -4.79 120.51 115.84 2k0f n ALA 69 Ca 0.05 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k0f n ALA 69 Cb 0.41 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -3.07 3.67 -0.22 0.00 0.52 -1.18 -5.02 118.95 113.64 2k0f s ARG 70 Ca 0.11 0.30 -0.21 0.00 -0.52 0.00 0.00 55.73 55.42 2k0f s ARG 70 Cb 0.15 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 2k0f s ARG 70 CO 0.52 -1.04 0.64 0.15 0.02 0.00 0.00 175.30 175.59 2k0f s LYS 71 N 3.47 4.17 0.95 3.54 1.02 -1.26 -5.06 119.74 126.57 2k0f s LYS 71 Ca 0.35 0.60 -0.15 0.00 0.02 0.00 0.00 55.97 56.80 2k0f s LYS 71 Cb -0.12 -3.61 0.17 0.00 -0.52 0.00 0.00 37.83 33.76 2k0f s LYS 71 CO 0.21 -0.32 1.24 -1.64 -0.92 0.00 0.00 175.35 173.92 2k0f s MET 72 N 2.19 0.81 0.00 1.68 -1.94 -1.26 -5.11 119.30 115.67 2k0f s MET 72 Ca 0.28 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.11 2k0f s MET 72 Cb -0.16 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 34.84 2k0f s MET 72 CO 0.09 -2.34 0.00 1.63 -0.01 0.00 0.00 175.02 174.39 2k0f n LYS 73 N -3.78 0.63 0.00 2.03 5.02 -1.26 -4.74 118.16 116.06 2k0f n LYS 73 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2k0f n LYS 73 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 -2.73 0.00 0.12 4.39 8.00 -1.26 -0.87 116.55 124.20 2k0f n ASP 74 Ca 0.00 0.54 -0.00 0.00 0.71 0.00 0.00 54.79 56.03 2k0f n ASP 74 Cb 0.00 -0.04 0.27 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.29 -0.06 -3.53 1.35 -1.98 -1.85 112.91 108.13 2k0f h THR 75 Ca 0.00 -1.41 -0.01 0.00 -0.55 0.00 0.00 66.41 64.44 2k0f h THR 75 Cb 0.00 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2k0f h THR 75 CO 0.00 0.42 0.01 0.44 -0.25 0.00 0.00 175.52 176.13 2k0f h ASP 76 N 0.15 0.10 0.93 5.36 3.32 -1.95 -2.10 116.42 122.23 2k0f h ASP 76 Ca 0.02 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2k0f h ASP 76 Cb 0.74 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2k0f h ASP 76 CO 0.06 0.36 -0.26 0.28 -1.72 0.00 0.00 179.24 177.96 2k0f h SER 77 N -0.16 0.00 -0.01 6.45 0.02 -0.59 -3.20 113.55 116.07 2k0f h SER 77 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 77 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2k0f h SER 77 CO 0.00 0.26 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.86 2k0f h GLU 78 N 0.00 0.02 -1.40 3.45 4.81 -1.25 -3.11 114.58 117.10 2k0f h GLU 78 Ca -0.00 -0.01 0.40 0.00 -0.13 0.00 0.00 59.36 59.62 2k0f h GLU 78 Cb 0.79 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 2k0f h GLU 78 CO 0.03 0.55 1.00 1.49 -0.73 0.00 0.00 179.01 181.36 2k0f h GLU 79 N -0.52 0.00 -0.01 1.92 4.81 -1.37 -2.46 114.58 116.95 2k0f h GLU 79 Ca 0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 79 Cb 0.55 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2k0f h GLU 79 CO 0.00 0.00 -0.71 0.93 -0.73 0.00 0.00 179.01 178.50 2k0f h GLU 80 N 0.00 0.03 -0.25 1.92 5.08 -1.60 0.32 114.58 120.08 2k0f h GLU 80 Ca 0.66 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.87 2k0f h GLU 80 Cb 2.67 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.92 2k0f h GLU 80 CO -0.01 0.73 -0.32 0.82 -1.00 0.00 0.00 179.01 179.24 2k0f h ILE 81 N 0.02 1.31 0.23 3.13 2.04 -1.61 0.16 117.51 122.80 2k0f h ILE 81 Ca -0.01 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.35 2k0f h ILE 81 Cb 1.26 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2k0f h ILE 81 CO 0.10 0.47 -0.31 0.03 0.00 0.00 0.00 178.15 178.44 2k0f h ARG 82 N 0.37 -0.58 -0.72 2.37 2.47 -1.43 0.09 114.38 116.95 2k0f h ARG 82 Ca 0.03 0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.85 2k0f h ARG 82 Cb 0.90 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.29 2k0f h ARG 82 CO 0.08 -0.39 0.42 0.93 0.56 0.00 0.00 179.97 181.56 2k0f h GLU 83 N -0.61 0.74 -0.42 0.04 4.39 -0.39 -0.03 114.58 118.32 2k0f h GLU 83 Ca 0.00 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 83 Cb 0.58 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 2k0f h GLU 83 CO -0.11 0.49 -0.20 0.00 -1.16 0.00 0.00 179.01 178.03 2k0f h ALA 84 N 1.36 0.10 -0.94 3.43 0.00 -0.60 -2.86 119.26 119.75 2k0f h ALA 84 Ca 0.32 0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.61 2k0f h ALA 84 Cb 0.18 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 84 CO -0.18 -0.56 0.48 0.35 0.00 0.00 0.00 179.25 179.34 2k0f h PHE 85 N -0.12 0.80 0.00 0.00 3.57 -0.43 -1.14 116.94 119.63 2k0f h PHE 85 Ca 0.20 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2k0f h PHE 85 Cb 0.43 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2k0f h PHE 85 CO -0.45 -0.01 0.00 0.00 -2.23 0.00 0.00 178.31 175.62 2k0f h ARG 86 N 0.46 0.00 0.10 1.11 3.08 -0.79 0.13 114.38 118.47 2k0f h ARG 86 Ca 0.60 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.37 2k0f h ARG 86 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2k0f h ARG 86 CO -0.51 0.00 -1.47 0.28 -1.07 0.00 0.00 179.97 177.20 2k0f h VAL 87 N 0.00 0.96 -0.49 2.04 2.07 -1.14 -3.38 116.25 116.32 2k0f h VAL 87 Ca 0.00 -2.36 0.06 0.00 0.82 0.00 0.00 66.70 65.22 2k0f h VAL 87 Cb 0.48 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 2k0f h VAL 87 CO 0.00 0.69 0.18 -0.26 0.02 0.00 0.00 177.57 178.20 2k0f h PHE 88 N -0.34 0.32 -3.55 1.57 0.04 -1.23 -3.39 116.94 110.36 2k0f h PHE 88 Ca -0.32 0.02 -0.60 0.00 2.80 0.00 0.00 57.97 59.87 2k0f h PHE 88 Cb 1.74 -0.07 -0.10 0.00 2.20 0.00 0.00 35.95 39.72 2k0f h PHE 88 CO 0.12 0.11 0.58 0.34 -0.60 0.00 0.00 178.31 178.85 2k0f s ASP 89 N -5.40 6.61 -0.10 2.17 -1.08 0.02 -4.66 116.67 114.24 2k0f s ASP 89 Ca -0.13 0.42 -0.25 0.00 -0.52 0.00 0.00 52.55 52.07 2k0f s ASP 89 Cb 0.14 -2.45 -0.28 0.00 -1.46 0.00 0.00 42.92 38.87 2k0f s ASP 89 CO 0.73 -0.91 0.80 0.50 0.52 0.00 0.00 175.17 176.82 2k0f h LYS 90 N 8.67 0.16 0.03 4.34 3.11 -1.85 -3.31 116.57 127.72 2k0f h LYS 90 Ca -0.24 -0.27 -0.23 0.00 -2.81 0.00 0.00 60.65 57.11 2k0f h LYS 90 Cb 1.08 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.39 2k0f h LYS 90 CO 0.99 1.13 -1.12 0.38 -2.81 0.00 0.00 179.45 178.02 2k0f h ASP 91 N -0.67 0.11 0.00 4.20 3.04 -1.92 -3.49 116.42 117.69 2k0f h ASP 91 Ca -0.09 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2k0f h ASP 91 Cb 1.35 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 2k0f h ASP 91 CO 0.07 1.09 0.00 0.61 -2.04 0.00 0.00 179.24 178.97 2k0f n GLY 92 N 1.41 0.98 0.14 7.15 0.00 -1.25 -5.01 105.19 108.62 2k0f n GLY 92 Ca -0.04 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.95 -3.47 115.58 110.71 2k0f h ASN 93 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2k0f h ASN 93 Cb 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.29 2k0f h ASN 93 CO 0.00 0.02 0.00 0.61 0.07 0.00 0.00 177.43 178.13 2k0f n GLY 94 N 1.19 1.19 2.89 9.14 0.00 -1.26 -5.13 105.19 113.22 2k0f n GLY 94 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.07 -0.38 1.61 2.02 -1.26 -4.65 117.35 112.76 2k0f s TYR 95 Ca 0.00 -0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.46 2k0f s TYR 95 Cb 0.00 -0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.52 2k0f s TYR 95 CO 0.00 -0.03 0.34 0.42 -1.57 0.00 0.00 175.55 174.71 2k0f s ILE 96 N -0.25 5.19 0.55 2.71 1.01 -0.33 -4.73 121.20 125.36 2k0f s ILE 96 Ca -0.03 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2k0f s ILE 96 Cb -0.02 -3.88 0.05 0.00 0.01 0.00 0.00 42.46 38.62 2k0f s ILE 96 CO -0.00 -0.21 0.76 -0.94 0.00 0.00 0.00 174.94 174.55 2k0f s SER 97 N 1.74 5.20 0.10 3.58 1.04 -1.26 -1.34 113.70 122.75 2k0f s SER 97 Ca 0.09 -0.27 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 2k0f s SER 97 Cb -0.17 -0.54 -0.11 0.00 0.10 0.00 0.00 66.02 65.30 2k0f s SER 97 CO 0.12 -1.19 1.46 0.00 0.98 0.00 0.00 173.24 174.61 2k0f h ALA 98 N 0.13 -0.82 -0.30 5.32 0.00 -1.98 -1.63 119.26 119.98 2k0f h ALA 98 Ca -0.39 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2k0f h ALA 98 Cb 1.29 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 2k0f h ALA 98 CO 0.47 -0.98 0.19 0.00 0.00 0.00 0.00 179.25 178.92 2k0f h ALA 99 N -0.47 0.38 -0.58 0.00 0.00 -1.99 -3.15 119.26 113.44 2k0f h ALA 99 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 99 Cb 0.57 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 99 CO -0.38 -0.18 -0.17 0.93 0.00 0.00 0.00 179.25 179.46 2k0f h GLU 100 N 0.38 -0.02 -0.83 0.00 5.08 -1.90 -2.02 114.58 115.26 2k0f h GLU 100 Ca 0.11 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 100 Cb -0.02 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 2k0f h GLU 100 CO -0.04 -0.02 0.50 1.25 -1.00 0.00 0.00 179.01 179.71 2k0f h LEU 101 N -0.02 0.78 0.05 1.33 5.85 -1.26 -1.83 115.31 120.22 2k0f h LEU 101 Ca 0.28 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 101 Cb 0.45 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2k0f h LEU 101 CO -0.61 0.50 -0.20 0.03 -0.34 0.00 0.00 178.44 177.81 2k0f h ARG 102 N 0.91 -0.34 -0.19 1.25 3.08 -1.50 -1.87 114.38 115.72 2k0f h ARG 102 Ca 0.37 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.34 2k0f h ARG 102 Cb 0.19 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2k0f h ARG 102 CO -0.18 -0.23 -0.31 0.45 -1.07 0.00 0.00 179.97 178.63 2k0f h HIS 103 N -0.35 0.43 0.02 3.04 3.86 -0.98 -1.75 115.15 119.42 2k0f h HIS 103 Ca 0.04 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2k0f h HIS 103 Cb 0.40 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2k0f h HIS 103 CO -0.22 0.65 -0.01 0.28 0.86 0.00 0.00 177.93 179.49 2k0f h VAL 104 N 0.33 0.98 0.00 2.45 2.07 -1.27 -0.12 116.25 120.69 2k0f h VAL 104 Ca 0.04 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 2k0f h VAL 104 Cb 0.71 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2k0f h VAL 104 CO 0.05 0.00 -0.53 0.24 0.02 0.00 0.00 177.57 177.35 2k0f h MET 105 N -0.03 0.00 0.08 1.57 2.86 -1.14 0.11 114.93 118.37 2k0f h MET 105 Ca -0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 2k0f h MET 105 Cb 0.03 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 105 CO 0.01 0.53 -1.02 1.15 1.06 0.00 0.00 176.91 178.64 2k0f h THR 106 N 0.00 1.34 -0.33 2.22 2.02 -1.31 0.14 112.91 116.98 2k0f h THR 106 Ca -0.01 -2.35 -0.04 0.00 0.77 0.00 0.00 66.41 64.79 2k0f h THR 106 Cb 1.09 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 2k0f h THR 106 CO 0.07 0.70 0.05 0.78 0.37 0.00 0.00 175.52 177.50 2k0f h ASN 107 N 0.13 0.53 -0.81 4.18 2.35 -0.81 -3.12 115.58 118.04 2k0f h ASN 107 Ca -0.15 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2k0f h ASN 107 Cb 1.72 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.90 2k0f h ASN 107 CO 0.20 0.66 0.54 0.25 -1.65 0.00 0.00 177.43 177.42 2k0f h LEU 108 N 0.38 0.92 0.00 1.61 5.85 -0.82 -3.41 115.31 119.84 2k0f h LEU 108 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 108 Cb 0.35 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2k0f h LEU 108 CO 0.01 0.66 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 2k0f n GLY 109 N -1.41 1.43 3.75 3.75 0.00 0.28 -4.83 105.19 108.15 2k0f n GLY 109 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 4.45 -0.78 1.61 0.41 -0.04 -4.99 118.70 119.36 2k0f s GLU 110 Ca 0.00 0.98 -0.18 0.00 -0.41 0.00 0.00 54.97 55.36 2k0f s GLU 110 Cb 0.00 -3.35 0.14 0.00 -1.78 0.00 0.00 34.13 29.14 2k0f s GLU 110 CO 0.00 0.31 0.89 0.21 -0.49 0.00 0.00 175.26 176.18 2k0f s LYS 111 N -0.12 3.40 -0.02 1.61 2.20 -1.26 -4.22 119.74 121.32 2k0f s LYS 111 Ca 0.36 -1.76 0.06 0.00 -0.36 0.00 0.00 55.97 54.28 2k0f s LYS 111 Cb -0.20 -4.54 -0.02 0.00 -1.51 0.00 0.00 37.83 31.56 2k0f s LYS 111 CO 0.21 -1.57 -0.21 -0.51 -0.36 0.00 0.00 175.35 172.91 2k0f s LEU 112 N 2.09 2.03 0.71 5.43 1.43 -1.26 -5.13 118.68 123.98 2k0f s LEU 112 Ca 0.21 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2k0f s LEU 112 Cb -0.13 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 45.05 2k0f s LEU 112 CO -0.03 0.25 1.03 0.42 0.23 0.00 0.00 176.35 178.25 2k0f s THR 113 N -0.44 2.36 0.13 5.49 -4.23 -1.26 -4.98 115.64 112.70 2k0f s THR 113 Ca 0.07 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 2k0f s THR 113 Cb -0.09 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 2k0f s THR 113 CO -0.00 -0.04 1.62 -0.78 -0.54 0.00 0.00 174.62 174.87 2k0f h ASP 114 N -0.62 0.62 -0.80 3.99 3.58 -2.01 -3.05 116.42 118.12 2k0f h ASP 114 Ca -0.45 -0.24 0.12 0.00 0.42 0.00 0.00 57.03 56.88 2k0f h ASP 114 Cb 1.31 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 42.14 2k0f h ASP 114 CO 0.61 0.70 0.52 -0.33 -2.88 0.00 0.00 179.24 177.86 2k0f h GLU 115 N 0.51 0.63 -0.62 0.28 5.08 -1.99 -1.10 114.58 117.36 2k0f h GLU 115 Ca 0.12 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 115 Cb 0.33 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 115 CO 0.00 0.41 0.02 0.93 -1.00 0.00 0.00 179.01 179.38 2k0f h GLU 116 N 0.65 1.07 -0.29 2.33 5.08 -1.93 -2.75 114.58 118.73 2k0f h GLU 116 Ca 0.38 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 116 Cb 0.59 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 116 CO -0.15 1.03 -0.49 0.28 -1.00 0.00 0.00 179.01 178.68 2k0f h VAL 117 N 0.98 1.28 -0.61 3.13 2.07 -1.29 -2.48 116.25 119.33 2k0f h VAL 117 Ca 0.18 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 2k0f h VAL 117 Cb 0.53 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2k0f h VAL 117 CO 0.03 0.55 0.25 -0.78 0.02 0.00 0.00 177.57 177.63 2k0f h ASP 118 N 0.64 0.81 -0.24 0.57 3.58 -1.48 0.31 116.42 120.62 2k0f h ASP 118 Ca 0.03 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 2k0f h ASP 118 Cb 1.07 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 2k0f h ASP 118 CO 0.11 0.73 -0.11 -0.08 -2.88 0.00 0.00 179.24 177.01 2k0f h GLU 119 N 0.88 0.64 -0.36 0.28 4.57 -1.24 -2.52 114.58 116.83 2k0f h GLU 119 Ca 0.21 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 2k0f h GLU 119 Cb 0.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2k0f h GLU 119 CO -0.02 0.73 -0.26 0.52 -1.18 0.00 0.00 179.01 178.80 2k0f h MET 120 N 0.58 0.74 0.16 1.92 2.86 -0.86 -1.18 114.93 119.15 2k0f h MET 120 Ca 0.10 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 120 Cb 0.53 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 120 CO 0.03 0.92 -0.14 0.82 1.06 0.00 0.00 176.91 179.60 2k0f h ILE 121 N 0.64 0.69 -0.54 -1.22 1.08 -0.55 -0.50 117.51 117.11 2k0f h ILE 121 Ca 0.08 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 2k0f h ILE 121 Cb 0.77 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 2k0f h ILE 121 CO 0.06 0.00 0.19 0.03 -0.69 0.00 0.00 178.15 177.74 2k0f h ARG 122 N -0.32 0.36 -0.25 2.37 3.08 -1.14 -1.15 114.38 117.33 2k0f h ARG 122 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 122 Cb 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2k0f h ARG 122 CO -0.02 0.24 0.15 1.49 -1.07 0.00 0.00 179.97 180.76 2k0f h GLU 123 N 0.37 0.34 -0.20 0.04 4.81 -1.13 -3.34 114.58 115.46 2k0f h GLU 123 Ca 0.26 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2k0f h GLU 123 Cb 0.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 123 CO -0.27 0.26 -0.09 0.00 -0.73 0.00 0.00 179.01 178.18 2k0f h ALA 124 N 1.06 0.28 -2.14 2.92 0.00 -0.93 -3.43 119.26 117.02 2k0f h ALA 124 Ca 0.09 -0.29 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 124 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k0f h ALA 124 CO -0.02 0.11 1.29 0.34 0.00 0.00 0.00 179.25 180.97 2k0f s ASP 125 N -6.08 6.09 -0.17 0.00 2.15 -0.45 -4.79 116.67 113.43 2k0f s ASP 125 Ca -0.14 2.10 -0.20 0.00 0.43 0.00 0.00 52.55 54.75 2k0f s ASP 125 Cb 0.06 -2.52 -0.23 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 125 CO 0.76 -1.42 0.39 0.40 -0.17 0.00 0.00 175.17 175.13 2k0f h ILE 126 N 6.29 1.05 0.00 4.11 2.04 -1.85 -3.45 117.51 125.71 2k0f h ILE 126 Ca -0.42 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.17 2k0f h ILE 126 Cb 1.21 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 2k0f h ILE 126 CO 0.96 0.50 0.00 -0.90 0.00 0.00 0.00 178.15 178.71 2k0f n ASP 127 N -4.26 0.00 0.00 1.72 5.68 -1.26 -5.01 116.55 113.41 2k0f n ASP 127 Ca -0.27 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2k0f n ASP 127 Cb 0.73 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.57 0.00 0.09 6.12 0.00 -1.26 -5.06 105.19 105.65 2k0f n GLY 128 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.20 0.00 1.61 3.04 -1.96 -3.48 116.42 115.82 2k0f h ASP 129 Ca 0.00 -0.25 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 2k0f h ASP 129 Cb 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 2k0f h ASP 129 CO 0.00 1.21 0.00 0.61 -2.04 0.00 0.00 179.24 179.02 2k0f n GLY 130 N 1.52 0.73 3.26 7.15 0.00 -1.26 -5.09 105.19 111.49 2k0f n GLY 130 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.52 1.09 -0.24 1.61 -2.07 -1.26 -4.64 119.66 113.62 2k0f s GLN 131 Ca 0.00 -1.09 -0.07 0.00 -1.82 0.00 0.00 55.36 52.38 2k0f s GLN 131 Cb 0.00 -1.29 -0.03 0.00 -1.09 0.00 0.00 33.01 30.61 2k0f s GLN 131 CO 0.00 0.30 0.05 0.08 -1.32 0.00 0.00 175.29 174.40 2k0f s VAL 132 N -1.14 4.22 0.07 3.63 1.01 -0.45 -4.84 120.40 122.90 2k0f s VAL 132 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2k0f s VAL 132 Cb -0.10 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2k0f s VAL 132 CO 0.04 0.36 0.09 -0.46 0.00 0.00 0.00 175.10 175.13 2k0f n ASN 133 N 4.80 0.05 -0.02 3.32 0.23 -1.26 -1.18 115.26 121.20 2k0f n ASN 133 Ca -0.16 -1.06 -0.16 0.00 -0.53 0.00 0.00 54.58 52.67 2k0f n ASN 133 Cb 0.51 -0.07 -0.11 0.00 -2.08 0.00 0.00 39.78 38.04 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.76 0.36 -0.88 -2.53 3.20 -1.98 -1.64 116.97 112.73 2k0f h TYR 134 Ca -0.03 -0.19 0.17 0.00 3.14 0.00 0.00 58.73 61.82 2k0f h TYR 134 Cb 0.09 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 2k0f h TYR 134 CO 0.00 0.99 0.58 0.93 -1.64 0.00 0.00 178.16 179.01 2k0f h GLU 135 N -0.37 0.53 0.00 1.82 4.39 -1.98 0.56 114.58 119.53 2k0f h GLU 135 Ca -0.04 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 2k0f h GLU 135 Cb 1.08 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 2k0f h GLU 135 CO 0.07 0.35 -1.20 0.93 -1.16 0.00 0.00 179.01 178.00 2k0f h GLU 136 N 0.55 0.00 0.12 2.33 5.08 -1.84 -3.11 114.58 117.71 2k0f h GLU 136 Ca 0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2k0f h GLU 136 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2k0f h GLU 136 CO -0.20 0.46 -0.06 0.35 -1.00 0.00 0.00 179.01 178.56 2k0f h PHE 137 N 0.00 -0.15 -0.80 4.33 3.57 -0.11 -3.08 116.94 120.70 2k0f h PHE 137 Ca -0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 2k0f h PHE 137 Cb 1.63 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.38 2k0f h PHE 137 CO 0.00 0.34 0.39 0.28 -2.23 0.00 0.00 178.31 177.09 2k0f h VAL 138 N -0.82 1.25 -0.70 1.41 2.07 -0.08 -0.31 116.25 119.07 2k0f h VAL 138 Ca -0.02 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2k0f h VAL 138 Cb 0.55 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2k0f h VAL 138 CO 0.03 0.29 0.46 -0.61 0.02 0.00 0.00 177.57 177.76 2k0f h GLN 139 N 1.13 0.64 0.00 1.57 5.75 -1.67 -2.33 115.11 120.20 2k0f h GLN 139 Ca 0.28 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2k0f h GLN 139 Cb 0.10 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.51 2k0f h GLN 139 CO -0.04 0.42 -0.00 1.98 -2.65 0.00 0.00 178.83 178.55 2k0f h MET 140 N 0.66 -0.00 -0.51 1.69 4.05 -1.01 -3.38 114.93 116.44 2k0f h MET 140 Ca 0.31 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.81 2k0f h MET 140 Cb 0.35 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.09 2k0f h MET 140 CO -0.10 0.87 0.11 0.52 0.23 0.00 0.00 176.91 178.54 2k0f h MET 141 N -0.99 0.25 -0.02 0.39 2.86 -0.99 -3.51 114.93 112.91 2k0f h MET 141 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 141 Cb 0.88 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2k0f h MET 141 CO 0.00 0.16 0.00 0.25 1.06 0.00 0.00 176.91 178.38