#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 0.05 -0.78 5.08 -2.05 0.45 114.58 117.33 2k0f h GLU 2 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 2 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 2 CO 0.00 0.25 -0.42 1.49 -1.00 0.00 0.00 179.01 179.33 2k0f h GLU 3 N 0.00 -0.58 -0.42 2.33 4.81 -2.05 -1.20 114.58 117.47 2k0f h GLU 3 Ca -0.00 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 3 Cb 0.64 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2k0f h GLU 3 CO 0.03 -0.39 0.08 0.37 -0.73 0.00 0.00 179.01 178.37 2k0f h GLN 4 N -0.61 0.63 -0.19 1.92 4.15 -1.82 0.19 115.11 119.39 2k0f h GLN 4 Ca 0.04 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 2k0f h GLN 4 Cb 0.66 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2k0f h GLN 4 CO -0.28 0.60 0.12 0.82 -1.93 0.00 0.00 178.83 178.15 2k0f h ILE 5 N 0.62 1.08 -0.43 2.39 2.04 -0.86 -2.76 117.51 119.59 2k0f h ILE 5 Ca 0.14 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 2k0f h ILE 5 Cb 0.27 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2k0f h ILE 5 CO 0.00 0.07 0.07 0.00 0.00 0.00 0.00 178.15 178.29 2k0f h ALA 6 N 1.03 1.33 0.00 1.87 0.00 -0.72 0.30 119.26 123.08 2k0f h ALA 6 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 6 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2k0f h ALA 6 CO -0.01 0.47 -0.33 0.93 0.00 0.00 0.00 179.25 180.31 2k0f h GLU 7 N 0.63 0.00 0.13 0.00 5.08 -0.95 0.72 114.58 120.19 2k0f h GLU 7 Ca 0.14 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 7 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 7 CO 0.00 0.33 -1.87 0.35 -1.00 0.00 0.00 179.01 176.81 2k0f h PHE 8 N 0.00 0.51 -0.17 4.33 3.04 -1.18 -3.35 116.94 120.12 2k0f h PHE 8 Ca -0.00 -0.38 -0.04 0.00 3.98 0.00 0.00 57.97 61.53 2k0f h PHE 8 Cb 0.81 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2k0f h PHE 8 CO 0.00 1.67 -0.07 -0.22 -2.02 0.00 0.00 178.31 177.67 2k0f h LYS 9 N 0.08 0.26 0.00 1.11 3.64 -0.76 -2.27 116.57 118.63 2k0f h LYS 9 Ca -0.38 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2k0f h LYS 9 Cb 2.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2k0f h LYS 9 CO 0.12 0.35 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 2k0f n GLU 10 N -4.32 0.10 0.07 1.90 -0.58 0.23 -2.36 120.64 115.68 2k0f n GLU 10 Ca -0.00 0.57 -0.13 0.00 -0.42 0.00 0.00 57.16 57.18 2k0f n GLU 10 Cb 0.23 -1.81 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 2k0f n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 11 N 2.03 -0.19 -0.53 0.62 0.00 -1.61 -3.05 119.26 116.53 2k0f h ALA 11 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 11 Cb 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k0f h ALA 11 CO 0.00 -0.40 0.55 0.74 0.00 0.00 0.00 179.25 180.14 2k0f h PHE 12 N -0.61 0.00 -0.40 0.00 0.04 -1.65 0.48 116.94 114.79 2k0f h PHE 12 Ca -0.02 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 2k0f h PHE 12 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2k0f h PHE 12 CO 0.05 0.00 -0.18 0.77 -0.60 0.00 0.00 178.31 178.36 2k0f h SER 13 N 0.00 0.86 0.04 2.17 0.02 -1.54 -2.90 113.55 112.20 2k0f h SER 13 Ca 0.25 -0.40 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2k0f h SER 13 Cb 1.35 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.66 2k0f h SER 13 CO -0.00 1.06 -0.42 0.25 -1.14 0.00 0.00 176.83 176.58 2k0f h LEU 14 N 0.65 0.30 -0.19 5.07 5.85 -0.99 -3.37 115.31 122.64 2k0f h LEU 14 Ca 0.09 -0.86 -0.21 0.00 0.84 0.00 0.00 57.88 57.74 2k0f h LEU 14 Cb 0.73 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.67 2k0f h LEU 14 CO 0.06 1.13 -0.72 -0.26 -0.34 0.00 0.00 178.44 178.31 2k0f h PHE 15 N -0.49 1.08 -3.50 1.25 0.04 -0.27 -3.45 116.94 111.61 2k0f h PHE 15 Ca -0.06 -0.46 -0.53 0.00 2.80 0.00 0.00 57.97 59.72 2k0f h PHE 15 Cb 1.23 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.18 2k0f h PHE 15 CO 0.20 1.29 0.27 0.34 -0.60 0.00 0.00 178.31 179.81 2k0f s ASP 16 N -7.07 7.37 0.00 2.17 -1.08 -1.09 -4.52 116.67 112.45 2k0f s ASP 16 Ca -0.10 1.64 0.17 0.00 -0.52 0.00 0.00 52.55 53.73 2k0f s ASP 16 Cb 0.09 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 39.11 2k0f s ASP 16 CO 0.90 -0.04 0.99 0.29 0.52 0.00 0.00 175.17 177.83 2k0f n LYS 17 N 2.82 1.44 0.04 4.34 4.76 -1.26 -3.78 118.16 126.51 2k0f n LYS 17 Ca 0.00 -1.32 -0.20 0.00 -2.87 0.00 0.00 58.31 53.92 2k0f n LYS 17 Cb 0.50 -1.31 -0.14 0.00 -1.84 0.00 0.00 35.03 32.23 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 2.91 0.45 -1.48 4.39 3.32 -1.95 -3.48 116.42 120.58 2k0f h ASP 18 Ca 0.00 -0.80 -0.07 0.00 0.02 0.00 0.00 57.03 56.18 2k0f h ASP 18 Cb 0.66 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 40.08 2k0f h ASP 18 CO 0.00 1.69 -0.11 0.61 -1.72 0.00 0.00 179.24 179.71 2k0f n GLY 19 N 1.85 0.58 0.13 2.75 0.00 -1.25 -5.03 105.19 104.22 2k0f n GLY 19 Ca -0.25 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.88 2.03 0.00 1.61 5.75 -1.26 -5.02 116.55 120.54 2k0f n ASP 20 Ca -0.01 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 2k0f n ASP 20 Cb 0.52 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.83 1.57 3.07 6.12 0.00 -1.26 -5.08 105.19 111.44 2k0f n GLY 21 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N -2.00 1.96 -0.19 2.61 2.01 -1.26 -4.29 115.64 114.48 2k0f s THR 22 Ca 0.00 -1.11 -0.09 0.00 0.31 0.00 0.00 61.69 60.80 2k0f s THR 22 Cb 0.00 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2k0f s THR 22 CO 0.00 0.31 0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 2k0f s ILE 23 N 1.28 5.40 0.30 1.82 1.01 -0.76 -4.92 121.20 125.34 2k0f s ILE 23 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.87 2k0f s ILE 23 Cb -0.15 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 38.92 2k0f s ILE 23 CO -0.10 0.47 0.41 0.35 0.00 0.00 0.00 174.94 176.08 2k0f n THR 24 N 3.25 0.00 0.34 2.92 -2.24 -1.26 -1.05 114.28 116.24 2k0f n THR 24 Ca -0.17 -0.93 -0.17 0.00 -2.27 0.00 0.00 64.05 60.51 2k0f n THR 24 Cb 0.53 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 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 -0.04 0.00 0.18 4.28 2.02 -1.91 -3.02 112.91 114.41 2k0f h THR 25 Ca -0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.05 2k0f h THR 25 Cb 0.62 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2k0f h THR 25 CO 0.19 0.00 -0.48 0.11 0.37 0.00 0.00 175.52 175.71 2k0f h LYS 26 N -1.02 -0.71 -0.54 6.66 1.79 -1.97 -0.79 116.57 119.99 2k0f h LYS 26 Ca -0.08 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2k0f h LYS 26 Cb 0.85 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.63 2k0f h LYS 26 CO 0.03 -0.47 0.36 0.93 -1.08 0.00 0.00 179.45 179.21 2k0f h GLU 27 N -0.74 0.71 0.68 3.15 5.08 -1.89 -0.79 114.58 120.79 2k0f h GLU 27 Ca -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 27 Cb 0.72 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 27 CO -0.22 0.47 -0.33 1.25 -1.00 0.00 0.00 179.01 179.18 2k0f h LEU 28 N 0.73 -0.78 -0.99 1.33 5.85 -1.57 -3.16 115.31 116.73 2k0f h LEU 28 Ca 0.20 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.19 2k0f h LEU 28 Cb -0.09 0.20 -0.19 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 28 CO -0.04 -0.43 -0.08 0.61 -0.34 0.00 0.00 178.44 178.16 2k0f n GLY 29 N -0.69 -1.46 0.26 3.75 0.00 -0.30 -0.99 105.19 105.77 2k0f n GLY 29 Ca -0.11 1.00 0.03 0.00 0.00 0.00 0.00 46.02 46.94 2k0f n GLY 29 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k0f h THR 30 N 0.00 0.43 0.10 2.61 2.02 -1.12 0.26 112.91 117.21 2k0f h THR 30 Ca 0.55 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.68 2k0f h THR 30 Cb 1.05 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2k0f h THR 30 CO -0.96 0.02 -0.05 0.58 0.37 0.00 0.00 175.52 175.48 2k0f h VAL 31 N 0.14 1.08 -1.00 3.16 2.07 -1.03 -0.61 116.25 120.05 2k0f h VAL 31 Ca 0.37 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.69 2k0f h VAL 31 Cb 0.64 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 2k0f h VAL 31 CO -0.58 0.28 0.65 0.24 0.02 0.00 0.00 177.57 178.18 2k0f h MET 32 N -0.79 1.11 -0.44 1.57 2.86 -0.83 0.56 114.93 118.97 2k0f h MET 32 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 32 Cb 0.57 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2k0f h MET 32 CO 0.02 0.74 0.23 -0.09 1.06 0.00 0.00 176.91 178.87 2k0f h ARG 33 N 1.15 0.62 0.01 1.72 2.43 -0.50 0.24 114.38 120.05 2k0f h ARG 33 Ca 0.44 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2k0f h ARG 33 Cb 0.22 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2k0f h ARG 33 CO -0.18 0.51 -0.00 0.77 -1.51 0.00 0.00 179.97 179.55 2k0f h SER 34 N 0.57 -0.01 -0.03 -3.80 0.02 -0.65 -3.31 113.55 106.34 2k0f h SER 34 Ca 0.15 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2k0f h SER 34 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2k0f h SER 34 CO -0.02 0.46 -0.14 0.25 -1.14 0.00 0.00 176.83 176.23 2k0f h LEU 35 N -0.48 -0.42 0.00 5.07 5.85 0.25 -3.41 115.31 122.17 2k0f h LEU 35 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k0f h LEU 35 Cb 0.47 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2k0f h LEU 35 CO 0.00 -0.20 0.00 0.61 -0.34 0.00 0.00 178.44 178.52 2k0f n GLY 36 N -1.28 0.27 3.72 3.75 0.00 0.84 -4.69 105.19 107.81 2k0f n GLY 36 Ca -0.05 0.48 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 2.01 4.56 -0.28 1.61 -2.07 -1.19 -4.56 119.66 119.74 2k0f s GLN 37 Ca 0.00 1.24 -0.15 0.00 -1.82 0.00 0.00 55.36 54.63 2k0f s GLN 37 Cb 0.00 -3.41 -0.04 0.00 -1.09 0.00 0.00 33.01 28.47 2k0f s GLN 37 CO 0.00 0.12 0.36 1.21 -1.32 0.00 0.00 175.29 175.66 2k0f s ASN 38 N 0.44 6.23 1.10 12.60 2.47 -1.26 -4.21 114.94 132.31 2k0f s ASN 38 Ca 0.45 0.23 -0.16 0.00 0.42 0.00 0.00 52.86 53.79 2k0f s ASN 38 Cb -0.21 -2.20 0.24 0.00 -1.45 0.00 0.00 41.25 37.63 2k0f s ASN 38 CO 0.25 -0.18 1.12 -2.16 -3.72 0.00 0.00 177.10 172.41 2k0f s PRO 39 N 2.04 -0.43 0.57 0.43 0.04 -1.26 -5.02 135.00 131.38 2k0f s PRO 39 Ca 0.14 0.13 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 2k0f s PRO 39 Cb -0.16 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2k0f s PRO 39 CO 0.10 -3.22 0.96 0.95 0.04 0.00 0.00 177.00 175.83 2k0f s THR 40 N -3.06 4.75 0.37 1.26 -4.23 -1.26 -4.94 115.64 108.53 2k0f s THR 40 Ca 0.69 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 62.12 2k0f s THR 40 Cb -0.13 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 70.04 2k0f s THR 40 CO 0.56 -1.02 1.93 -0.33 -0.54 0.00 0.00 174.62 175.22 2k0f h GLU 41 N -0.03 0.00 -0.49 3.99 5.08 -1.97 -1.03 114.58 120.14 2k0f h GLU 41 Ca -0.45 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2k0f h GLU 41 Cb 1.19 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 2k0f h GLU 41 CO 0.62 0.25 -0.03 0.00 -1.00 0.00 0.00 179.01 178.85 2k0f h ALA 42 N 1.75 0.43 -0.04 3.43 0.00 -1.98 0.19 119.26 123.03 2k0f h ALA 42 Ca -0.00 0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 42 Cb 0.52 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 42 CO 0.03 -0.40 -0.94 0.93 0.00 0.00 0.00 179.25 178.87 2k0f h GLU 43 N 0.08 0.63 0.00 0.00 5.08 -1.73 -2.84 114.58 115.80 2k0f h GLU 43 Ca 0.24 -0.63 -0.14 0.00 -1.00 0.00 0.00 59.36 57.83 2k0f h GLU 43 Cb 0.37 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 43 CO -0.43 1.23 -0.69 1.25 -1.00 0.00 0.00 179.01 179.38 2k0f h LEU 44 N 0.38 0.00 -0.07 1.33 5.85 -0.81 -2.42 115.31 119.57 2k0f h LEU 44 Ca -0.09 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.38 2k0f h LEU 44 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2k0f h LEU 44 CO 0.18 0.67 -1.05 0.06 -0.34 0.00 0.00 178.44 177.96 2k0f h GLN 45 N 0.00 0.34 0.00 1.25 3.07 -0.70 -2.28 115.11 116.79 2k0f h GLN 45 Ca -0.01 -0.43 -0.12 0.00 0.09 0.00 0.00 58.65 58.18 2k0f h GLN 45 Cb 1.52 0.14 -0.02 0.00 0.08 0.00 0.00 27.48 29.20 2k0f h GLN 45 CO 0.09 1.13 -0.58 0.22 0.09 0.00 0.00 178.83 179.78 2k0f h ASP 46 N 0.16 0.00 0.60 0.06 3.58 -1.53 -2.80 116.42 116.49 2k0f h ASP 46 Ca -0.10 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.25 2k0f h ASP 46 Cb 1.72 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.75 2k0f h ASP 46 CO 0.18 0.58 -0.49 -0.03 -2.88 0.00 0.00 179.24 176.60 2k0f h MET 47 N 0.00 0.00 -0.24 0.28 4.05 -1.45 -3.18 114.93 114.40 2k0f h MET 47 Ca -0.01 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2k0f h MET 47 Cb 1.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 2k0f h MET 47 CO 0.07 0.49 0.00 0.82 0.23 0.00 0.00 176.91 178.53 2k0f h ILE 48 N 0.00 1.15 0.00 1.77 2.04 -1.16 -2.56 117.51 118.75 2k0f h ILE 48 Ca -0.00 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2k0f h ILE 48 Cb 0.92 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2k0f h ILE 48 CO 0.06 0.20 -0.02 0.78 0.00 0.00 0.00 178.15 179.17 2k0f h ASN 49 N 0.35 0.00 -0.28 1.72 2.35 -1.47 -1.36 115.58 116.88 2k0f h ASN 49 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2k0f h ASN 49 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2k0f h ASN 49 CO 0.00 0.02 0.05 -0.08 -1.65 0.00 0.00 177.43 175.78 2k0f h GLU 50 N 0.00 0.56 0.00 0.81 4.57 -1.61 -3.00 114.58 115.91 2k0f h GLU 50 Ca -0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 50 Cb 0.41 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2k0f h GLU 50 CO 0.00 0.54 -1.29 1.33 -1.18 0.00 0.00 179.01 178.42 2k0f n VAL 51 N -4.31 0.00 -1.97 0.32 0.24 -1.04 -4.96 118.33 106.61 2k0f n VAL 51 Ca 0.02 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 2k0f n VAL 51 Cb 0.22 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.12 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 -3.28 6.65 -0.21 -1.34 2.15 -0.54 -4.80 116.67 115.29 2k0f s ASP 52 Ca 0.00 2.35 -0.07 0.00 0.43 0.00 0.00 52.55 55.26 2k0f s ASP 52 Cb 0.12 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 52 CO 0.71 -0.90 -0.25 0.00 -0.17 0.00 0.00 175.17 174.56 2k0f n ALA 53 N 6.41 1.58 0.21 3.66 0.00 -1.26 -4.75 120.51 126.36 2k0f n ALA 53 Ca 0.16 -0.87 0.06 0.00 0.00 0.00 0.00 53.44 52.80 2k0f n ALA 53 Cb 0.42 0.16 0.44 0.00 0.00 0.00 0.00 19.45 20.47 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 -0.54 0.00 0.00 0.00 3.04 -1.95 -3.47 116.42 113.50 2k0f h ASP 54 Ca -0.52 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 2k0f h ASP 54 Cb 1.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.84 2k0f h ASP 54 CO -0.25 0.31 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 2k0f n GLY 55 N -0.26 1.72 0.21 7.15 0.00 -1.26 -5.01 105.19 107.75 2k0f n GLY 55 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.86 0.00 1.61 7.08 -1.96 -3.47 115.58 119.70 2k0f h ASN 56 Ca 0.00 -0.61 0.00 0.00 -3.08 0.00 0.00 56.30 52.61 2k0f h ASN 56 Cb 0.00 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 35.99 2k0f h ASN 56 CO 0.00 1.33 0.00 0.61 -2.08 0.00 0.00 177.43 177.29 2k0f n GLY 57 N 0.63 0.77 3.67 9.14 0.00 -1.26 -5.07 105.19 113.07 2k0f n GLY 57 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.27 3.70 -0.46 2.61 -4.23 -1.26 -4.82 115.64 108.91 2k0f s THR 58 Ca 0.00 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 58.83 2k0f s THR 58 Cb 0.00 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 58 CO 0.00 -0.16 0.48 -0.51 -0.54 0.00 0.00 174.62 173.88 2k0f s ILE 59 N -1.84 5.07 1.18 2.99 2.07 -0.21 -4.85 121.20 125.60 2k0f s ILE 59 Ca 0.28 -0.62 -0.20 0.00 -1.41 0.00 0.00 60.65 58.71 2k0f s ILE 59 Cb -0.09 -4.14 0.29 0.00 0.13 0.00 0.00 42.46 38.65 2k0f s ILE 59 CO 0.19 -0.58 1.14 0.47 -1.91 0.00 0.00 174.94 174.25 2k0f n ASP 60 N 5.64 -1.64 0.42 4.50 9.92 -1.26 -1.83 116.55 132.30 2k0f n ASP 60 Ca -0.09 -1.24 -0.19 0.00 -0.53 0.00 0.00 54.79 52.75 2k0f n ASP 60 Cb 0.46 -1.01 -0.09 0.00 -0.64 0.00 0.00 41.12 39.84 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N -2.53 -1.07 0.00 1.24 3.57 -1.97 -2.92 116.94 113.26 2k0f h PHE 61 Ca -0.42 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.24 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.35 2k0f h PHE 61 CO 0.00 -0.64 0.00 -1.00 -2.23 0.00 0.00 178.31 174.44 2k0f h PRO 62 N -1.08 0.00 0.03 6.41 0.13 -1.97 -1.86 132.00 133.66 2k0f h PRO 62 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2k0f h PRO 62 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2k0f h PRO 62 CO 0.14 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 178.83 2k0f h GLU 63 N 0.00 -0.04 -0.81 0.86 5.08 -1.84 -1.63 114.58 116.20 2k0f h GLU 63 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 63 Cb 0.31 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 63 CO 0.00 0.57 0.37 0.35 -1.00 0.00 0.00 179.01 179.31 2k0f h PHE 64 N -0.96 0.64 -0.32 4.33 3.57 -1.47 -0.34 116.94 122.39 2k0f h PHE 64 Ca -0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2k0f h PHE 64 Cb 0.62 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 2k0f h PHE 64 CO 0.16 0.11 -0.46 1.25 -2.23 0.00 0.00 178.31 177.14 2k0f h LEU 65 N 0.52 -1.54 -0.25 0.59 5.85 -1.44 -2.04 115.31 117.00 2k0f h LEU 65 Ca 0.45 0.20 0.05 0.00 0.84 0.00 0.00 57.88 59.42 2k0f h LEU 65 Cb 0.68 0.63 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 2k0f h LEU 65 CO -0.40 -0.34 -0.45 0.74 -0.34 0.00 0.00 178.44 177.66 2k0f h THR 66 N -0.34 0.10 -0.88 1.05 2.02 -1.06 0.63 112.91 114.43 2k0f h THR 66 Ca 0.06 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.46 2k0f h THR 66 Cb 0.50 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 2k0f h THR 66 CO -0.48 0.00 0.34 -0.03 0.37 0.00 0.00 175.52 175.71 2k0f h MET 67 N -0.44 0.32 0.03 6.66 1.85 -0.72 -1.74 114.93 120.90 2k0f h MET 67 Ca 0.09 -0.02 -0.30 0.00 -0.61 0.00 0.00 59.70 58.87 2k0f h MET 67 Cb 0.62 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.53 2k0f h MET 67 CO -0.48 0.21 -1.68 0.52 -0.40 0.00 0.00 176.91 175.08 2k0f h MET 68 N 0.33 0.06 -0.70 0.39 2.07 -1.12 -3.30 114.93 112.66 2k0f h MET 68 Ca 0.55 -0.10 -0.04 0.00 -2.07 0.00 0.00 59.70 58.04 2k0f h MET 68 Cb 1.06 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.80 2k0f h MET 68 CO -0.56 0.69 0.28 0.00 1.07 0.00 0.00 176.91 178.38 2k0f h ALA 69 N 0.83 0.91 -0.82 6.32 0.00 -0.37 -3.42 119.26 122.71 2k0f h ALA 69 Ca -0.28 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 2k0f h ALA 69 Cb 2.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 2k0f h ALA 69 CO 0.09 0.53 1.58 -2.13 0.00 0.00 0.00 179.25 179.32 2k0f n ARG 70 N -4.37 0.66 -2.40 0.00 0.63 -0.70 -4.91 116.66 105.57 2k0f n ARG 70 Ca 0.05 0.10 -0.43 0.00 -0.92 0.00 0.00 57.85 56.65 2k0f n ARG 70 Cb 0.18 -2.37 -0.02 0.00 0.45 0.00 0.00 32.46 30.69 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k0f s LYS 71 N 7.65 4.08 0.56 -0.14 2.36 -1.26 -5.01 119.74 127.99 2k0f s LYS 71 Ca 1.15 1.51 0.09 0.00 -2.55 0.00 0.00 55.97 56.18 2k0f s LYS 71 Cb -0.84 -3.83 0.08 0.00 -1.05 0.00 0.00 37.83 32.19 2k0f s LYS 71 CO 0.44 -0.90 0.76 -1.64 1.55 0.00 0.00 175.35 175.56 2k0f s MET 72 N 3.83 2.34 0.63 4.03 -1.94 -1.26 -5.06 119.30 121.87 2k0f s MET 72 Ca 0.57 -1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 52.79 2k0f s MET 72 Cb -0.20 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 2k0f s MET 72 CO 0.19 -0.81 1.04 -1.59 -0.01 0.00 0.00 175.02 173.84 2k0f s LYS 73 N -4.63 3.37 0.18 2.03 -2.85 -1.26 -4.81 119.74 111.77 2k0f s LYS 73 Ca 0.60 0.89 -0.04 0.00 -1.00 0.00 0.00 55.97 56.42 2k0f s LYS 73 Cb -0.06 -2.05 0.08 0.00 -2.06 0.00 0.00 37.83 33.74 2k0f s LYS 73 CO 0.38 -0.75 1.48 -0.44 0.10 0.00 0.00 175.35 176.12 2k0f h ASP 74 N -0.25 0.67 0.22 0.03 3.32 -1.98 -1.59 116.42 116.84 2k0f h ASP 74 Ca -0.44 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.21 2k0f h ASP 74 Cb 1.20 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 2k0f h ASP 74 CO 0.60 1.09 -0.16 0.71 -1.72 0.00 0.00 179.24 179.75 2k0f h THR 75 N 0.45 0.96 -0.00 0.35 1.35 -1.99 -0.94 112.91 113.09 2k0f h THR 75 Ca 0.01 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 2k0f h THR 75 Cb 1.12 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2k0f h THR 75 CO 0.11 0.16 -0.05 0.44 -0.25 0.00 0.00 175.52 175.93 2k0f h ASP 76 N 0.00 0.04 -0.11 5.36 5.19 -1.70 -3.05 116.42 122.15 2k0f h ASP 76 Ca -0.00 -0.77 -0.14 0.00 -0.62 0.00 0.00 57.03 55.50 2k0f h ASP 76 Cb 0.32 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2k0f h ASP 76 CO 0.02 0.80 -0.42 -1.28 -3.12 0.00 0.00 179.24 175.24 2k0f h SER 77 N -0.71 0.69 -0.21 6.45 0.87 -1.16 -0.31 113.55 119.17 2k0f h SER 77 Ca -0.01 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2k0f h SER 77 Cb 0.81 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2k0f h SER 77 CO 0.01 1.03 0.12 -0.08 -0.53 0.00 0.00 176.83 177.38 2k0f h GLU 78 N 0.53 0.29 0.00 2.24 4.81 -1.28 -0.78 114.58 120.39 2k0f h GLU 78 Ca 0.04 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 78 Cb 0.95 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2k0f h GLU 78 CO 0.09 0.25 -0.41 0.93 -0.73 0.00 0.00 179.01 179.14 2k0f h GLU 79 N 0.25 0.00 -0.14 1.92 4.39 -1.25 -2.48 114.58 117.27 2k0f h GLU 79 Ca 0.07 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 79 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 79 CO -0.01 0.41 -0.70 1.49 -1.16 0.00 0.00 179.01 179.03 2k0f h GLU 80 N 0.00 0.59 -0.06 2.33 4.81 -0.67 -2.48 114.58 119.10 2k0f h GLU 80 Ca -0.00 -0.46 -0.15 0.00 -0.13 0.00 0.00 59.36 58.61 2k0f h GLU 80 Cb 0.73 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2k0f h GLU 80 CO 0.05 1.08 -0.65 0.82 -0.73 0.00 0.00 179.01 179.58 2k0f h ILE 81 N 0.42 1.40 0.49 2.32 2.04 -0.94 -1.82 117.51 121.42 2k0f h ILE 81 Ca -0.03 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.73 2k0f h ILE 81 Cb 1.29 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2k0f h ILE 81 CO 0.13 0.61 -0.24 0.03 0.00 0.00 0.00 178.15 178.69 2k0f h ARG 82 N 0.17 -0.63 -0.30 2.37 3.08 -1.39 -1.00 114.38 116.68 2k0f h ARG 82 Ca -0.01 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2k0f h ARG 82 Cb 1.17 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 2k0f h ARG 82 CO 0.10 -0.33 -0.22 0.93 -1.07 0.00 0.00 179.97 179.38 2k0f h GLU 83 N -0.97 0.56 -0.20 0.04 4.39 -1.42 0.23 114.58 117.21 2k0f h GLU 83 Ca -0.07 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 2k0f h GLU 83 Cb 0.60 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2k0f h GLU 83 CO 0.11 0.75 0.10 0.00 -1.16 0.00 0.00 179.01 178.81 2k0f h ALA 84 N 1.26 0.26 -0.73 3.43 0.00 -1.35 -3.20 119.26 118.93 2k0f h ALA 84 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 84 Cb 0.65 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 84 CO 0.05 -0.20 0.38 0.35 0.00 0.00 0.00 179.25 179.83 2k0f h PHE 85 N 0.21 1.03 -1.13 0.00 3.04 -0.85 -2.37 116.94 116.88 2k0f h PHE 85 Ca 0.07 -0.04 0.33 0.00 3.98 0.00 0.00 57.97 62.31 2k0f h PHE 85 Cb 0.09 -0.32 -0.05 0.00 2.56 0.00 0.00 35.95 38.23 2k0f h PHE 85 CO -0.03 0.74 0.95 -0.09 -2.02 0.00 0.00 178.31 177.86 2k0f h ARG 86 N 1.02 0.00 -0.05 1.11 2.43 -0.55 -0.68 114.38 117.67 2k0f h ARG 86 Ca 0.26 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 2k0f h ARG 86 Cb 0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2k0f h ARG 86 CO -0.04 0.00 -0.70 0.28 -1.51 0.00 0.00 179.97 178.00 2k0f h VAL 87 N 0.00 1.42 0.14 0.20 2.07 -1.47 -3.20 116.25 115.42 2k0f h VAL 87 Ca 0.53 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2k0f h VAL 87 Cb 2.43 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 34.35 2k0f h VAL 87 CO -0.01 0.65 -0.07 -0.26 0.02 0.00 0.00 177.57 177.90 2k0f h PHE 88 N 0.17 -0.18 -2.55 1.57 -1.00 -1.26 -3.45 116.94 110.25 2k0f h PHE 88 Ca -0.02 -0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.21 2k0f h PHE 88 Cb 1.25 0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.87 2k0f h PHE 88 CO 0.03 0.15 1.15 0.34 -1.61 0.00 0.00 178.31 178.37 2k0f s ASP 89 N -5.48 6.50 -0.13 2.17 2.15 -1.00 -4.64 116.67 116.23 2k0f s ASP 89 Ca -0.09 2.20 -0.17 0.00 0.43 0.00 0.00 52.55 54.93 2k0f s ASP 89 Cb -0.00 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 89 CO 0.31 -1.07 0.38 0.50 -0.17 0.00 0.00 175.17 175.12 2k0f h LYS 90 N 10.30 0.00 0.01 4.34 1.63 -1.87 -3.40 116.57 127.57 2k0f h LYS 90 Ca -0.41 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.37 2k0f h LYS 90 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2k0f h LYS 90 CO 0.96 0.59 -0.09 0.38 -3.45 0.00 0.00 179.45 177.85 2k0f h ASP 91 N -1.00 0.06 0.00 4.20 3.04 -1.93 -3.49 116.42 117.30 2k0f h ASP 91 Ca -0.04 -0.90 0.00 0.00 -3.24 0.00 0.00 57.03 52.85 2k0f h ASP 91 Cb 0.67 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 2k0f h ASP 91 CO -0.02 0.96 0.00 0.61 -2.04 0.00 0.00 179.24 178.74 2k0f n GLY 92 N 1.36 2.00 0.07 7.15 0.00 -1.26 -5.03 105.19 109.48 2k0f n GLY 92 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.94 -3.47 115.58 110.71 2k0f h ASN 93 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.19 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 0.09 0.00 0.61 0.07 0.00 0.00 177.43 178.20 2k0f n GLY 94 N 1.32 0.81 2.77 9.14 0.00 -1.26 -5.07 105.19 112.91 2k0f n GLY 94 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.08 0.45 0.07 1.61 2.02 -1.26 -3.84 117.35 114.32 2k0f s TYR 95 Ca 0.00 -0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.42 2k0f s TYR 95 Cb 0.00 -0.61 -0.06 0.00 -0.40 0.00 0.00 41.96 40.89 2k0f s TYR 95 CO 0.00 -0.23 0.75 0.42 -1.57 0.00 0.00 175.55 174.92 2k0f s ILE 96 N 1.65 4.67 0.49 2.71 1.01 0.48 -4.85 121.20 127.36 2k0f s ILE 96 Ca -0.01 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.28 2k0f s ILE 96 Cb -0.13 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2k0f s ILE 96 CO -0.03 0.41 0.08 -0.94 0.00 0.00 0.00 174.94 174.45 2k0f s SER 97 N -0.31 4.19 0.45 3.58 1.04 -1.26 -1.36 113.70 120.03 2k0f s SER 97 Ca 0.37 -1.48 0.14 0.00 0.48 0.00 0.00 55.95 55.46 2k0f s SER 97 Cb -0.21 0.23 1.01 0.00 0.10 0.00 0.00 66.02 67.16 2k0f s SER 97 CO 0.23 -0.78 2.00 0.00 0.98 0.00 0.00 173.24 175.67 2k0f h ALA 98 N 1.35 1.72 0.00 5.32 0.00 -1.95 -1.87 119.26 123.82 2k0f h ALA 98 Ca -0.43 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 98 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 98 CO 0.73 0.21 -0.28 0.00 0.00 0.00 0.00 179.25 179.91 2k0f h ALA 99 N 1.83 1.20 0.00 0.00 0.00 -1.99 -1.94 119.26 118.35 2k0f h ALA 99 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2k0f h ALA 99 Cb 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k0f h ALA 99 CO 0.02 0.35 -1.45 0.39 0.00 0.00 0.00 179.25 178.56 2k0f n GLU 100 N -3.71 0.62 0.05 0.00 1.02 -0.74 -2.49 120.64 115.39 2k0f n GLU 100 Ca -0.01 0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 57.24 2k0f n GLU 100 Cb 0.39 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2k0f n GLU 100 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k0f h LEU 101 N 0.00 0.50 -0.30 -4.62 5.85 -1.22 -2.71 115.31 112.81 2k0f h LEU 101 Ca -0.17 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.25 2k0f h LEU 101 Cb 1.61 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 2k0f h LEU 101 CO 0.05 1.12 -0.07 0.03 -0.34 0.00 0.00 178.44 179.22 2k0f h ARG 102 N 0.26 0.00 0.04 1.25 3.08 -1.46 -1.22 114.38 116.34 2k0f h ARG 102 Ca -0.05 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2k0f h ARG 102 Cb 1.40 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2k0f h ARG 102 CO 0.14 0.00 -0.02 1.25 -1.07 0.00 0.00 179.97 180.27 2k0f h HIS 103 N 0.00 -0.05 -0.15 3.04 2.76 -1.44 -0.61 115.15 118.69 2k0f h HIS 103 Ca 0.15 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2k0f h HIS 103 Cb 0.22 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 2k0f h HIS 103 CO -0.29 0.04 0.07 -0.24 -1.30 0.00 0.00 177.93 176.21 2k0f h VAL 104 N -0.13 1.14 -0.57 5.26 3.04 -1.44 -0.49 116.25 123.07 2k0f h VAL 104 Ca -0.01 -0.43 0.08 0.00 -1.01 0.00 0.00 66.70 65.34 2k0f h VAL 104 Cb 0.11 1.14 -0.06 0.00 -2.01 0.00 0.00 31.29 30.48 2k0f h VAL 104 CO 0.01 0.13 0.22 0.24 -1.01 0.00 0.00 177.57 177.17 2k0f h MET 105 N 0.10 0.40 -0.49 4.17 2.07 -1.17 0.18 114.93 120.20 2k0f h MET 105 Ca 0.05 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 0.15 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 2k0f h MET 105 CO -0.01 0.27 0.07 1.15 1.07 0.00 0.00 176.91 179.46 2k0f h THR 106 N 0.42 1.25 -0.44 2.22 2.02 -0.68 -0.04 112.91 117.66 2k0f h THR 106 Ca 0.28 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 2k0f h THR 106 Cb 0.31 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2k0f h THR 106 CO -0.27 0.34 0.16 0.78 0.37 0.00 0.00 175.52 176.90 2k0f h ASN 107 N 0.70 0.62 0.40 4.18 2.35 -0.96 -3.22 115.58 119.65 2k0f h ASN 107 Ca 0.15 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2k0f h ASN 107 Cb 0.41 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2k0f h ASN 107 CO 0.01 0.64 -0.19 0.25 -1.65 0.00 0.00 177.43 176.48 2k0f h LEU 108 N 0.56 -0.46 0.00 1.61 5.85 -0.45 -3.03 115.31 119.41 2k0f h LEU 108 Ca 0.14 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2k0f h LEU 108 Cb 0.22 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2k0f h LEU 108 CO -0.01 -0.25 0.00 0.61 -0.34 0.00 0.00 178.44 178.45 2k0f n GLY 109 N -1.03 0.34 3.87 3.75 0.00 -0.08 -4.57 105.19 107.46 2k0f n GLY 109 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.77 -0.10 1.61 0.41 -0.86 -5.02 118.70 118.51 2k0f s GLU 110 Ca 0.00 0.52 0.03 0.00 -0.41 0.00 0.00 54.97 55.11 2k0f s GLU 110 Cb 0.00 -2.35 -0.01 0.00 -1.78 0.00 0.00 34.13 30.00 2k0f s GLU 110 CO 0.00 -0.10 -0.21 0.21 -0.49 0.00 0.00 175.26 174.67 2k0f s LYS 111 N -4.01 3.01 -0.05 1.61 2.47 -1.26 -4.40 119.74 117.11 2k0f s LYS 111 Ca 0.52 -0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 53.89 2k0f s LYS 111 Cb -0.10 -2.35 0.04 0.00 -1.46 0.00 0.00 37.83 33.96 2k0f s LYS 111 CO 0.33 0.25 0.45 -0.48 0.16 0.00 0.00 175.35 176.06 2k0f s LEU 112 N 0.20 0.26 0.57 5.43 2.34 -1.26 -5.17 118.68 121.06 2k0f s LEU 112 Ca -0.13 0.42 -0.04 0.00 0.06 0.00 0.00 54.13 54.43 2k0f s LEU 112 Cb -0.16 1.74 0.01 0.00 -0.56 0.00 0.00 46.19 47.22 2k0f s LEU 112 CO 0.07 -0.46 0.86 0.42 -1.06 0.00 0.00 176.35 176.18 2k0f s THR 113 N -1.06 3.55 0.28 5.48 -4.23 -1.26 -4.98 115.64 113.41 2k0f s THR 113 Ca -0.11 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 2k0f s THR 113 Cb -0.03 -3.39 0.25 0.00 1.34 0.00 0.00 72.50 70.66 2k0f s THR 113 CO 0.06 -0.38 1.94 0.44 -0.54 0.00 0.00 174.62 176.14 2k0f h ASP 114 N -0.09 1.01 -0.18 3.99 5.19 -2.03 -2.61 116.42 121.71 2k0f h ASP 114 Ca -0.45 -0.04 0.05 0.00 -0.62 0.00 0.00 57.03 55.97 2k0f h ASP 114 Cb 1.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2k0f h ASP 114 CO 0.59 0.76 0.18 1.05 -3.12 0.00 0.00 179.24 178.70 2k0f h GLU 115 N 1.18 0.00 0.01 3.56 4.11 -2.00 -1.62 114.58 119.84 2k0f h GLU 115 Ca 0.31 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.40 2k0f h GLU 115 Cb -0.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2k0f h GLU 115 CO -0.06 0.00 -2.15 -1.91 0.07 0.00 0.00 179.01 174.96 2k0f n GLU 116 N -3.95 0.67 -0.01 1.06 2.13 -1.01 -3.73 120.64 115.80 2k0f n GLU 116 Ca 0.01 0.14 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 2k0f n GLU 116 Cb 0.30 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 30.33 2k0f n GLU 116 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k0f h VAL 117 N 0.01 1.08 -0.85 6.31 2.07 -1.35 0.44 116.25 123.95 2k0f h VAL 117 Ca -0.46 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.02 2k0f h VAL 117 Cb 2.10 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 2k0f h VAL 117 CO 0.03 0.07 0.56 -0.78 0.02 0.00 0.00 177.57 177.48 2k0f h ASP 118 N 0.09 0.42 0.08 0.57 3.58 -1.46 0.50 116.42 120.21 2k0f h ASP 118 Ca 0.04 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2k0f h ASP 118 Cb 0.06 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.08 2k0f h ASP 118 CO -0.01 0.19 -0.54 -0.08 -2.88 0.00 0.00 179.24 175.92 2k0f h GLU 119 N 0.43 0.22 -0.45 0.28 4.57 -1.53 -2.07 114.58 116.03 2k0f h GLU 119 Ca 0.43 -0.35 0.09 0.00 -1.18 0.00 0.00 59.36 58.36 2k0f h GLU 119 Cb 1.03 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.65 2k0f h GLU 119 CO -0.16 1.14 -0.14 0.52 -1.18 0.00 0.00 179.01 179.20 2k0f h MET 120 N -0.53 -0.03 -0.73 1.92 2.86 -0.80 -1.25 114.93 116.37 2k0f h MET 120 Ca -0.09 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 120 Cb 1.40 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.03 2k0f h MET 120 CO 0.10 -0.02 0.35 0.82 1.06 0.00 0.00 176.91 179.22 2k0f h ILE 121 N -0.03 1.24 -0.04 -1.22 1.08 -0.89 -2.70 117.51 114.95 2k0f h ILE 121 Ca 0.22 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2k0f h ILE 121 Cb 0.36 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2k0f h ILE 121 CO -0.48 0.28 0.02 -0.09 -0.69 0.00 0.00 178.15 177.20 2k0f h ARG 122 N 1.03 0.06 -0.98 2.37 2.43 -1.25 -3.03 114.38 115.00 2k0f h ARG 122 Ca 0.25 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2k0f h ARG 122 Cb 0.13 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 2k0f h ARG 122 CO -0.03 0.16 0.63 1.49 -1.51 0.00 0.00 179.97 180.71 2k0f h GLU 123 N -0.06 1.03 -0.06 0.20 4.81 -1.16 -2.98 114.58 116.35 2k0f h GLU 123 Ca 0.01 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2k0f h GLU 123 Cb 0.12 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2k0f h GLU 123 CO -0.00 0.68 -0.75 0.00 -0.73 0.00 0.00 179.01 178.20 2k0f h ALA 124 N 1.50 0.17 -2.94 2.92 0.00 -1.55 -3.46 119.26 115.90 2k0f h ALA 124 Ca 0.45 -0.60 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 2k0f h ALA 124 Cb 0.32 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 124 CO -0.20 0.54 0.70 0.34 0.00 0.00 0.00 179.25 180.62 2k0f s ASP 125 N -6.98 6.12 -0.18 0.00 2.15 -1.13 -4.62 116.67 112.03 2k0f s ASP 125 Ca -0.11 2.88 0.04 0.00 0.43 0.00 0.00 52.55 55.79 2k0f s ASP 125 Cb 0.06 -2.65 -0.22 0.00 -0.30 0.00 0.00 42.92 39.81 2k0f s ASP 125 CO 0.87 -1.00 0.10 -0.38 -0.17 0.00 0.00 175.17 174.59 2k0f n ILE 126 N 0.07 1.56 0.01 4.11 5.41 -1.26 -4.41 119.36 124.86 2k0f n ILE 126 Ca 0.04 -0.68 -0.18 0.00 1.00 0.00 0.00 62.75 62.92 2k0f n ILE 126 Cb 0.42 -1.25 -0.12 0.00 -0.71 0.00 0.00 39.64 37.98 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k0f h ASP 127 N 0.02 0.53 0.00 4.38 3.32 -1.93 -3.48 116.42 119.26 2k0f h ASP 127 Ca -0.50 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 55.75 2k0f h ASP 127 Cb 2.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.41 2k0f h ASP 127 CO 0.00 1.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.40 2k0f n GLY 128 N 1.19 0.86 0.09 2.75 0.00 -1.26 -5.00 105.19 103.80 2k0f n GLY 128 Ca -0.11 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.10 0.00 1.61 3.04 -1.95 -3.48 116.42 115.55 2k0f h ASP 129 Ca 0.00 -0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 2k0f h ASP 129 Cb 0.08 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 2k0f h ASP 129 CO 0.00 0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.93 2k0f n GLY 130 N -0.61 2.32 3.54 7.15 0.00 -1.26 -5.14 105.19 111.19 2k0f n GLY 130 Ca -0.08 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 2.59 -0.26 1.61 -0.21 -1.26 -4.65 119.66 117.48 2k0f s GLN 131 Ca 0.00 -0.65 -0.09 0.00 0.02 0.00 0.00 55.36 54.64 2k0f s GLN 131 Cb 0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 2k0f s GLN 131 CO 0.00 0.64 0.12 0.08 -2.12 0.00 0.00 175.29 174.01 2k0f s VAL 132 N -0.81 4.75 0.00 1.09 1.01 -0.47 -4.83 120.40 121.14 2k0f s VAL 132 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2k0f s VAL 132 Cb -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2k0f s VAL 132 CO 0.02 0.31 0.00 -0.46 0.00 0.00 0.00 175.10 174.97 2k0f n ASN 133 N 4.94 0.76 0.08 3.32 0.23 -1.26 -0.39 115.26 122.94 2k0f n ASN 133 Ca -0.15 -0.18 -0.13 0.00 -0.53 0.00 0.00 54.58 53.59 2k0f n ASN 133 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.07 -0.18 -0.10 -2.53 3.20 -1.99 -3.05 116.97 112.39 2k0f h TYR 134 Ca 0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2k0f h TYR 134 Cb 0.00 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 2k0f h TYR 134 CO 0.00 0.10 -0.48 1.49 -1.64 0.00 0.00 178.16 177.63 2k0f h GLU 135 N -0.45 -0.50 -0.88 1.82 4.57 -1.96 -2.83 114.58 114.34 2k0f h GLU 135 Ca -0.02 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2k0f h GLU 135 Cb 0.35 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 2k0f h GLU 135 CO 0.03 -0.34 0.58 0.93 -1.18 0.00 0.00 179.01 179.04 2k0f h GLU 136 N -0.52 1.05 -0.01 1.92 5.08 -1.90 0.72 114.58 120.92 2k0f h GLU 136 Ca 0.03 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 136 Cb 0.60 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 136 CO -0.38 0.69 -0.27 0.35 -1.00 0.00 0.00 179.01 178.41 2k0f h PHE 137 N 1.08 -0.74 -0.23 4.33 3.04 -1.57 -0.92 116.94 121.93 2k0f h PHE 137 Ca 0.36 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.21 2k0f h PHE 137 Cb 0.06 0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2k0f h PHE 137 CO -0.00 -0.36 -0.37 0.28 -2.02 0.00 0.00 178.31 175.84 2k0f h VAL 138 N -0.41 1.29 -0.59 1.41 2.07 -0.70 0.27 116.25 119.60 2k0f h VAL 138 Ca 0.07 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.10 2k0f h VAL 138 Cb 0.50 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2k0f h VAL 138 CO -0.24 0.47 0.39 1.56 0.02 0.00 0.00 177.57 179.77 2k0f h GLN 139 N 0.43 0.74 -0.06 1.57 1.08 -0.99 -1.13 115.11 116.76 2k0f h GLN 139 Ca 0.04 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2k0f h GLN 139 Cb 0.84 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2k0f h GLN 139 CO 0.07 0.49 -0.16 1.98 -0.95 0.00 0.00 178.83 180.26 2k0f h MET 140 N 0.76 0.22 -0.00 1.46 4.05 -0.31 -3.36 114.93 117.75 2k0f h MET 140 Ca 0.22 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 140 Cb -0.03 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2k0f h MET 140 CO -0.05 0.75 -0.47 -1.33 0.23 0.00 0.00 176.91 176.04 2k0f n MET 141 N -4.60 0.40 0.00 0.39 2.81 0.87 -5.08 117.12 111.91 2k0f n MET 141 Ca -0.08 -0.26 0.15 0.00 -1.81 0.00 0.00 57.70 55.71 2k0f n MET 141 Cb 0.39 -1.49 0.79 0.00 -0.71 0.00 0.00 33.22 32.20 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89