#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 -0.31 -0.66 -0.78 3.07 -2.05 -0.55 114.58 113.30 2k0f h GLU 2 Ca 0.00 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2k0f h GLU 2 Cb 0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 2k0f h GLU 2 CO 0.00 -0.20 0.41 1.49 -1.40 0.00 0.00 179.01 179.31 2k0f h GLU 3 N -0.32 0.78 -0.07 2.33 4.81 -2.06 -0.02 114.58 120.04 2k0f h GLU 3 Ca -0.02 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 2k0f h GLU 3 Cb 0.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 3 CO 0.02 0.52 -0.74 0.37 -0.73 0.00 0.00 179.01 178.45 2k0f h GLN 4 N 0.81 0.37 -0.01 1.92 5.75 -1.98 -2.36 115.11 119.61 2k0f h GLN 4 Ca 0.26 -0.31 -0.17 0.00 -0.15 0.00 0.00 58.65 58.28 2k0f h GLN 4 Cb 0.02 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2k0f h GLN 4 CO -0.10 0.96 -0.77 0.82 -2.65 0.00 0.00 178.83 177.08 2k0f h ILE 5 N 0.25 1.49 -0.89 2.39 1.08 -1.01 -2.73 117.51 118.09 2k0f h ILE 5 Ca -0.03 -2.47 0.09 0.00 -0.39 0.00 0.00 64.86 62.06 2k0f h ILE 5 Cb 1.31 2.34 -0.06 0.00 -3.07 0.00 0.00 36.82 37.34 2k0f h ILE 5 CO 0.12 0.72 0.58 0.00 -0.69 0.00 0.00 178.15 178.88 2k0f h ALA 6 N 1.13 1.60 0.13 1.87 0.00 -0.74 -0.28 119.26 122.98 2k0f h ALA 6 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 6 Cb 1.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 6 CO 0.11 0.22 -0.06 1.49 0.00 0.00 0.00 179.25 181.01 2k0f h GLU 7 N 0.92 -0.17 -0.48 0.00 4.81 -1.17 -1.14 114.58 117.35 2k0f h GLU 7 Ca 0.41 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2k0f h GLU 7 Cb 0.36 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 7 CO -0.17 0.11 0.27 0.74 -0.73 0.00 0.00 179.01 179.23 2k0f h PHE 8 N -0.46 0.65 -0.54 0.92 0.04 -1.44 -3.12 116.94 112.99 2k0f h PHE 8 Ca -0.02 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2k0f h PHE 8 Cb 0.37 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2k0f h PHE 8 CO 0.02 0.48 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.98 2k0f h LYS 9 N 0.63 0.93 -0.02 1.51 1.63 -1.03 -1.17 116.57 119.05 2k0f h LYS 9 Ca 0.17 -0.28 -0.21 0.00 -0.85 0.00 0.00 60.65 59.48 2k0f h LYS 9 Cb 0.04 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2k0f h LYS 9 CO -0.03 0.93 -0.86 1.49 -3.45 0.00 0.00 179.45 177.53 2k0f h GLU 10 N 0.86 0.36 0.00 1.90 4.81 -1.22 0.97 114.58 122.25 2k0f h GLU 10 Ca 0.16 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 10 Cb 0.53 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 10 CO 0.03 1.03 0.00 0.00 -0.73 0.00 0.00 179.01 179.34 2k0f h ALA 11 N 0.85 1.00 0.11 2.92 0.00 -1.47 -2.85 119.26 119.83 2k0f h ALA 11 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 2k0f h ALA 11 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2k0f h ALA 11 CO 0.14 0.00 -1.52 0.35 0.00 0.00 0.00 179.25 178.23 2k0f h PHE 12 N 0.00 0.44 -0.04 0.00 3.57 -0.27 -3.30 116.94 117.34 2k0f h PHE 12 Ca 0.00 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 12 Cb 0.55 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2k0f h PHE 12 CO 0.00 1.36 0.28 0.77 -2.23 0.00 0.00 178.31 178.49 2k0f h SER 13 N 0.07 0.00 -0.50 0.41 0.02 -0.60 -0.16 113.55 112.79 2k0f h SER 13 Ca -0.24 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 2k0f h SER 13 Cb 2.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.52 2k0f h SER 13 CO 0.16 0.00 0.10 0.25 -1.14 0.00 0.00 176.83 176.20 2k0f h LEU 14 N 0.00 0.82 0.04 5.07 6.46 -1.62 -3.35 115.31 122.73 2k0f h LEU 14 Ca 0.02 -0.17 -0.27 0.00 -0.12 0.00 0.00 57.88 57.34 2k0f h LEU 14 Cb 0.57 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2k0f h LEU 14 CO -0.00 0.83 -1.46 -0.26 -0.62 0.00 0.00 178.44 176.93 2k0f h PHE 15 N 0.83 0.14 -3.70 1.25 0.04 -1.32 -3.44 116.94 110.74 2k0f h PHE 15 Ca 0.17 -0.10 -0.56 0.00 2.80 0.00 0.00 57.97 60.28 2k0f h PHE 15 Cb 0.36 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 2k0f h PHE 15 CO 0.02 1.57 0.93 0.34 -0.60 0.00 0.00 178.31 180.57 2k0f s ASP 16 N -6.91 6.64 0.01 2.17 2.15 -0.22 -4.59 116.67 115.91 2k0f s ASP 16 Ca -0.27 0.49 0.04 0.00 0.43 0.00 0.00 52.55 53.23 2k0f s ASP 16 Cb 0.06 -2.55 -0.25 0.00 -0.30 0.00 0.00 42.92 39.88 2k0f s ASP 16 CO 0.64 -1.25 0.86 0.11 -0.17 0.00 0.00 175.17 175.37 2k0f h LYS 17 N 9.21 0.12 0.12 4.34 1.79 -1.85 -3.37 116.57 126.92 2k0f h LYS 17 Ca -0.23 -0.20 -0.30 0.00 -2.18 0.00 0.00 60.65 57.74 2k0f h LYS 17 Cb 1.06 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 2k0f h LYS 17 CO 1.13 0.90 -1.47 0.38 -1.08 0.00 0.00 179.45 179.30 2k0f h ASP 18 N 0.03 0.39 -0.01 0.86 3.04 -1.92 -3.49 116.42 115.32 2k0f h ASP 18 Ca -0.22 -0.51 0.00 0.00 -3.24 0.00 0.00 57.03 53.06 2k0f h ASP 18 Cb 1.96 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 40.13 2k0f h ASP 18 CO 0.12 1.42 0.00 0.61 -2.04 0.00 0.00 179.24 179.36 2k0f n GLY 19 N 1.64 1.80 0.09 7.15 0.00 -1.26 -5.04 105.19 109.57 2k0f n GLY 19 Ca -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.95 -3.48 116.42 114.63 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2k0f h ASP 20 CO 0.00 0.64 0.00 0.61 -1.03 0.00 0.00 179.24 179.46 2k0f n GLY 21 N 1.41 1.30 2.88 7.15 0.00 -1.26 -5.07 105.19 111.60 2k0f n GLY 21 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.04 -0.47 2.61 2.01 -1.26 -1.64 115.64 114.85 2k0f s THR 22 Ca 0.00 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 61.92 2k0f s THR 22 Cb 0.00 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.39 2k0f s THR 22 CO 0.00 0.06 0.73 -0.63 -0.69 0.00 0.00 174.62 174.08 2k0f s ILE 23 N 0.79 4.72 0.80 1.82 1.01 0.01 -4.78 121.20 125.57 2k0f s ILE 23 Ca -0.06 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2k0f s ILE 23 Cb -0.09 -4.31 0.12 0.00 0.01 0.00 0.00 42.46 38.20 2k0f s ILE 23 CO -0.03 -0.75 1.12 0.42 0.00 0.00 0.00 174.94 175.70 2k0f s THR 24 N 3.09 2.14 0.20 2.92 -4.23 -1.26 -2.84 115.64 115.66 2k0f s THR 24 Ca 0.24 -0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2k0f s THR 24 Cb -0.14 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.83 2k0f s THR 24 CO 0.19 0.00 1.60 0.71 -0.54 0.00 0.00 174.62 176.58 2k0f h THR 25 N -0.95 1.27 -0.05 3.99 1.35 -1.98 0.51 112.91 117.06 2k0f h THR 25 Ca -0.43 -1.37 -0.09 0.00 -0.55 0.00 0.00 66.41 63.97 2k0f h THR 25 Cb 1.28 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 2k0f h THR 25 CO 0.49 0.46 -0.38 0.11 -0.25 0.00 0.00 175.52 175.95 2k0f h LYS 26 N 0.71 0.10 0.18 4.72 1.57 -1.97 0.72 116.57 122.60 2k0f h LYS 26 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2k0f h LYS 26 Cb 0.77 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2k0f h LYS 26 CO 0.06 0.47 -0.09 0.93 -0.57 0.00 0.00 179.45 180.26 2k0f h GLU 27 N 0.08 -0.23 -0.15 3.15 5.08 -1.77 -2.58 114.58 118.17 2k0f h GLU 27 Ca 0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 27 Cb 0.72 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 27 CO 0.05 0.16 0.05 1.25 -1.00 0.00 0.00 179.01 179.52 2k0f h LEU 28 N -0.70 0.21 0.00 1.33 5.85 -0.85 -2.96 115.31 118.19 2k0f h LEU 28 Ca -0.02 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.29 2k0f h LEU 28 Cb 0.50 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2k0f h LEU 28 CO 0.04 0.34 -1.05 1.23 -0.34 0.00 0.00 178.44 178.66 2k0f h GLY 29 N 0.06 0.01 0.99 3.75 0.00 -0.98 -2.94 103.07 103.97 2k0f h GLY 29 Ca 0.05 -0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.44 2k0f h GLY 29 CO -0.00 0.02 0.45 -0.84 0.00 0.00 0.00 176.54 176.17 2k0f h THR 30 N 0.00 0.93 0.56 4.70 2.02 -1.29 -0.63 112.91 119.21 2k0f h THR 30 Ca -0.03 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2k0f h THR 30 Cb 1.79 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2k0f h THR 30 CO 0.13 0.10 -0.27 0.58 0.37 0.00 0.00 175.52 176.43 2k0f h VAL 31 N 0.56 0.40 -0.52 3.16 2.07 -1.44 -2.02 116.25 118.46 2k0f h VAL 31 Ca 0.31 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.70 2k0f h VAL 31 Cb 0.47 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2k0f h VAL 31 CO -0.10 0.03 0.19 0.24 0.02 0.00 0.00 177.57 177.95 2k0f h MET 32 N -0.89 0.37 0.00 1.57 2.86 -1.32 -1.24 114.93 116.28 2k0f h MET 32 Ca -0.08 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 32 Cb 0.63 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2k0f h MET 32 CO 0.13 0.24 -0.43 0.00 1.06 0.00 0.00 176.91 177.91 2k0f h ARG 33 N 0.38 0.00 0.00 1.72 3.08 -1.20 0.13 114.38 118.49 2k0f h ARG 33 Ca 0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 2k0f h ARG 33 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2k0f h ARG 33 CO -0.25 0.43 -0.15 0.77 -1.07 0.00 0.00 179.97 179.71 2k0f h SER 34 N 0.00 0.00 0.00 7.04 0.02 -0.46 -3.33 113.55 116.82 2k0f h SER 34 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k0f h SER 34 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k0f h SER 34 CO 0.06 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 176.08 2k0f n LEU 35 N -3.76 1.49 0.00 5.07 4.32 -0.98 -5.01 117.00 118.13 2k0f n LEU 35 Ca -0.02 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 2k0f n LEU 35 Cb 0.26 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2k0f n LEU 35 CO 0.32 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 176.91 2k0f n GLY 36 N 1.71 0.00 3.27 -0.72 0.00 0.28 -5.11 105.19 104.62 2k0f n GLY 36 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 1.27 -0.55 1.61 1.11 -0.28 -4.97 119.66 117.84 2k0f s GLN 37 Ca 0.00 -1.06 0.07 0.00 0.01 0.00 0.00 55.36 54.38 2k0f s GLN 37 Cb 0.00 -1.47 0.25 0.00 -1.01 0.00 0.00 33.01 30.78 2k0f s GLN 37 CO 0.00 0.36 0.66 0.09 0.01 0.00 0.00 175.29 176.41 2k0f n ASN 38 N 1.47 2.50 -4.67 5.90 3.02 -1.26 -3.57 115.26 118.64 2k0f n ASN 38 Ca -0.18 -3.18 -0.29 0.00 -0.03 0.00 0.00 54.58 50.90 2k0f n ASN 38 Cb 0.53 -0.66 0.18 0.00 -0.61 0.00 0.00 39.78 39.22 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -2.01 0.41 0.39 3.52 0.04 -1.26 -5.09 135.00 130.99 2k0f s PRO 39 Ca 0.38 0.56 0.05 0.00 0.04 0.00 0.00 61.00 62.04 2k0f s PRO 39 Cb 0.15 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 33.02 2k0f s PRO 39 CO -0.05 -2.76 0.45 0.25 0.04 0.00 0.00 177.00 174.94 2k0f n THR 40 N -4.20 0.00 -0.05 1.26 -2.24 -1.26 -4.97 114.28 102.82 2k0f n THR 40 Ca 0.05 -1.37 -0.15 0.00 -2.27 0.00 0.00 64.05 60.32 2k0f n THR 40 Cb 0.57 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.17 2k0f n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k0f h GLU 41 N 0.00 0.05 -0.72 -0.78 4.39 -1.99 -2.34 114.58 113.19 2k0f h GLU 41 Ca -0.20 -0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 41 Cb 0.85 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.39 2k0f h GLU 41 CO 0.30 0.97 -0.14 0.00 -1.16 0.00 0.00 179.01 178.98 2k0f h ALA 42 N 0.08 0.53 -0.34 3.43 0.00 -1.98 -2.56 119.26 118.42 2k0f h ALA 42 Ca -0.02 0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 42 Cb 1.02 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2k0f h ALA 42 CO 0.02 -0.42 -0.28 1.49 0.00 0.00 0.00 179.25 180.06 2k0f h GLU 43 N 0.02 0.71 0.00 0.00 4.81 -1.96 -2.07 114.58 116.08 2k0f h GLU 43 Ca 0.35 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 43 Cb 0.56 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 2k0f h GLU 43 CO -0.71 0.91 -0.85 1.25 -0.73 0.00 0.00 179.01 178.87 2k0f h LEU 44 N 0.61 0.00 -0.53 1.64 5.85 -1.30 -1.66 115.31 119.92 2k0f h LEU 44 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 44 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2k0f h LEU 44 CO 0.06 0.85 0.00 1.56 -0.34 0.00 0.00 178.44 180.58 2k0f h GLN 45 N 0.00 0.00 0.14 1.25 4.20 -1.33 -2.91 115.11 116.46 2k0f h GLN 45 Ca -0.01 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 2k0f h GLN 45 Cb 1.52 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.33 2k0f h GLN 45 CO 0.11 0.00 -1.02 0.22 -0.67 0.00 0.00 178.83 177.47 2k0f h ASP 46 N 0.00 0.66 -0.74 1.46 3.58 -0.60 -0.68 116.42 120.10 2k0f h ASP 46 Ca 0.00 -0.88 0.10 0.00 0.42 0.00 0.00 57.03 56.67 2k0f h ASP 46 Cb 0.67 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 2k0f h ASP 46 CO 0.00 1.49 0.38 0.24 -2.88 0.00 0.00 179.24 178.46 2k0f h MET 47 N -0.06 0.61 -0.05 0.28 2.86 -1.23 -2.10 114.93 115.25 2k0f h MET 47 Ca -0.17 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 47 Cb 1.76 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.28 2k0f h MET 47 CO 0.19 0.41 -0.09 0.82 1.06 0.00 0.00 176.91 179.30 2k0f h ILE 48 N 0.63 1.43 -0.24 -1.22 2.04 -1.53 -3.37 117.51 115.25 2k0f h ILE 48 Ca 0.37 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2k0f h ILE 48 Cb 0.39 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2k0f h ILE 48 CO -0.27 0.38 0.08 0.78 0.00 0.00 0.00 178.15 179.12 2k0f h ASN 49 N -0.37 0.29 -0.52 1.72 2.35 -0.40 0.11 115.58 118.77 2k0f h ASN 49 Ca 0.00 -0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.83 2k0f h ASN 49 Cb 0.67 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.86 2k0f h ASN 49 CO 0.02 0.28 -0.17 -0.08 -1.65 0.00 0.00 177.43 175.84 2k0f h GLU 50 N 0.33 -0.04 -0.01 0.81 4.57 -1.68 -2.74 114.58 115.82 2k0f h GLU 50 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2k0f h GLU 50 Cb 0.09 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2k0f h GLU 50 CO -0.01 -0.03 -0.35 1.33 -1.18 0.00 0.00 179.01 178.77 2k0f n VAL 51 N -5.39 0.00 -1.77 0.32 0.24 -0.79 -4.84 118.33 106.11 2k0f n VAL 51 Ca 0.05 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.83 2k0f n VAL 51 Cb 0.30 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.65 6.48 -0.14 -1.34 2.15 -0.04 -4.81 116.67 116.33 2k0f s ASP 52 Ca 0.20 2.67 -0.14 0.00 0.43 0.00 0.00 52.55 55.71 2k0f s ASP 52 Cb 0.19 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 2k0f s ASP 52 CO 0.58 -0.98 -0.28 0.00 -0.17 0.00 0.00 175.17 174.32 2k0f n ALA 53 N 6.00 1.37 -0.18 3.66 0.00 -1.26 -4.68 120.51 125.43 2k0f n ALA 53 Ca 0.18 -0.68 0.10 0.00 0.00 0.00 0.00 53.44 53.04 2k0f n ALA 53 Cb 0.39 0.10 0.40 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.79 0.57 0.00 0.00 3.04 -1.95 -3.46 116.42 113.84 2k0f h ASP 54 Ca -0.09 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k0f h ASP 54 Cb 0.89 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.08 2k0f h ASP 54 CO -0.05 0.34 0.00 0.61 -2.04 0.00 0.00 179.24 178.10 2k0f n GLY 55 N -1.47 0.79 0.13 7.15 0.00 -1.26 -5.00 105.19 105.53 2k0f n GLY 55 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 1.61 -1.07 -1.96 -3.47 115.58 110.69 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.61 0.00 0.61 0.07 0.00 0.00 177.43 178.72 2k0f n GLY 57 N 1.17 0.80 3.08 9.14 0.00 -1.26 -5.06 105.19 113.07 2k0f n GLY 57 Ca 0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.65 -0.67 2.61 -4.23 -1.26 -4.84 115.64 105.91 2k0f s THR 58 Ca 0.00 -1.10 -0.25 0.00 -1.18 0.00 0.00 61.69 59.15 2k0f s THR 58 Cb 0.00 -0.70 0.04 0.00 1.34 0.00 0.00 72.50 73.19 2k0f s THR 58 CO 0.00 -0.34 1.12 -0.51 -0.54 0.00 0.00 174.62 174.35 2k0f s ILE 59 N -1.33 4.04 0.67 2.99 2.07 -1.13 -4.90 121.20 123.62 2k0f s ILE 59 Ca -0.08 0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.25 2k0f s ILE 59 Cb -0.10 -4.77 -0.01 0.00 0.13 0.00 0.00 42.46 37.72 2k0f s ILE 59 CO 0.01 -1.56 1.07 -1.81 -1.91 0.00 0.00 174.94 170.73 2k0f s ASP 60 N 3.50 5.73 0.34 4.50 1.11 -1.26 -0.81 116.67 129.78 2k0f s ASP 60 Ca 0.31 1.30 0.04 0.00 0.18 0.00 0.00 52.55 54.39 2k0f s ASP 60 Cb -0.11 -2.21 0.60 0.00 1.07 0.00 0.00 42.92 42.26 2k0f s ASP 60 CO 0.15 -1.18 1.88 0.15 1.18 0.00 0.00 175.17 177.35 2k0f h PHE 61 N -0.54 0.55 0.00 4.23 3.57 -1.71 -1.02 116.94 122.02 2k0f h PHE 61 Ca -0.45 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2k0f h PHE 61 Cb 1.22 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2k0f h PHE 61 CO 0.58 0.54 0.14 -1.35 -2.23 0.00 0.00 178.31 175.99 2k0f h PRO 62 N 0.51 0.00 0.10 6.41 0.11 -1.94 -1.35 132.00 135.84 2k0f h PRO 62 Ca 0.11 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.86 2k0f h PRO 62 Cb 0.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2k0f h PRO 62 CO 0.01 0.00 -2.06 0.39 -0.21 0.00 0.00 178.00 176.12 2k0f n GLU 63 N -2.97 0.74 -0.10 1.05 1.02 -0.46 -2.03 120.64 117.89 2k0f n GLU 63 Ca -0.03 0.24 -0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2k0f n GLU 63 Cb 0.20 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.06 -1.31 -0.67 -0.32 3.57 -1.30 -0.86 116.94 116.11 2k0f h PHE 64 Ca -0.44 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.21 2k0f h PHE 64 Cb 2.02 0.61 -0.04 0.00 2.79 0.00 0.00 35.95 41.32 2k0f h PHE 64 CO 0.07 -0.38 0.44 -0.07 -2.23 0.00 0.00 178.31 176.14 2k0f h LEU 65 N -0.31 0.50 -0.29 0.59 3.38 -1.29 -1.53 115.31 116.36 2k0f h LEU 65 Ca 0.05 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k0f h LEU 65 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2k0f h LEU 65 CO -0.45 0.30 -0.25 0.74 0.09 0.00 0.00 178.44 178.87 2k0f h THR 66 N 0.56 1.30 -0.02 0.22 2.02 -1.23 -2.74 112.91 113.01 2k0f h THR 66 Ca 0.31 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 66.08 2k0f h THR 66 Cb 0.46 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2k0f h THR 66 CO -0.10 0.45 0.06 -0.03 0.37 0.00 0.00 175.52 176.28 2k0f h MET 67 N 0.43 0.00 0.00 6.66 1.85 -0.10 0.12 114.93 123.89 2k0f h MET 67 Ca 0.05 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.03 2k0f h MET 67 Cb 0.81 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.82 2k0f h MET 67 CO 0.06 0.00 -1.70 -1.33 -0.40 0.00 0.00 176.91 173.54 2k0f n MET 68 N -3.32 0.64 -0.06 0.39 2.81 -1.09 -4.35 117.12 112.16 2k0f n MET 68 Ca -0.02 0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 2k0f n MET 68 Cb 0.14 -1.66 -0.07 0.00 -0.71 0.00 0.00 33.22 30.92 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f h ALA 69 N 1.67 -0.01 -2.71 3.04 0.00 -0.76 -3.48 119.26 117.00 2k0f h ALA 69 Ca -0.14 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 54.00 2k0f h ALA 69 Cb 1.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2k0f h ALA 69 CO 0.02 -0.01 0.37 0.50 0.00 0.00 0.00 179.25 180.13 2k0f s ARG 70 N -1.98 4.78 -0.34 0.00 3.52 0.24 -4.93 118.95 120.24 2k0f s ARG 70 Ca -0.10 1.53 -0.29 0.00 -0.13 0.00 0.00 55.73 56.74 2k0f s ARG 70 Cb -0.02 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 2k0f s ARG 70 CO 0.38 0.39 1.38 0.21 -0.81 0.00 0.00 175.30 176.86 2k0f s LYS 71 N -0.89 3.76 0.43 5.12 2.47 -1.26 -4.95 119.74 124.43 2k0f s LYS 71 Ca 0.43 1.17 -0.23 0.00 -1.56 0.00 0.00 55.97 55.79 2k0f s LYS 71 Cb -0.26 -3.96 -0.08 0.00 -1.46 0.00 0.00 37.83 32.07 2k0f s LYS 71 CO 0.33 -1.32 1.09 -1.64 0.16 0.00 0.00 175.35 173.96 2k0f s MET 72 N 4.54 3.96 0.49 4.03 -1.94 -1.26 -5.03 119.30 124.10 2k0f s MET 72 Ca 0.60 1.58 -0.23 0.00 -1.71 0.00 0.00 55.69 55.93 2k0f s MET 72 Cb -0.16 -2.43 -0.06 0.00 2.01 0.00 0.00 34.83 34.19 2k0f s MET 72 CO 0.28 -0.33 1.24 -1.59 -0.01 0.00 0.00 175.02 174.60 2k0f s LYS 73 N -2.68 3.54 0.55 2.03 -2.85 -1.26 -4.68 119.74 114.39 2k0f s LYS 73 Ca 0.61 1.95 0.27 0.00 -1.00 0.00 0.00 55.97 57.81 2k0f s LYS 73 Cb -0.23 -2.36 1.57 0.00 -2.06 0.00 0.00 37.83 34.75 2k0f s LYS 73 CO 0.29 -0.78 2.14 -0.44 0.10 0.00 0.00 175.35 176.66 2k0f h ASP 74 N 1.86 0.00 -0.66 0.03 3.32 -1.97 -1.26 116.42 117.74 2k0f h ASP 74 Ca -0.50 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 2k0f h ASP 74 Cb 1.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.59 0.07 0.28 0.71 -1.72 0.00 0.00 179.24 179.17 2k0f h THR 75 N 0.00 1.24 0.00 0.35 1.35 -2.02 -2.96 112.91 110.86 2k0f h THR 75 Ca -0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2k0f h THR 75 Cb 0.19 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 2k0f h THR 75 CO 0.01 0.29 -0.83 0.47 -0.25 0.00 0.00 175.52 175.21 2k0f n ASP 76 N -4.42 0.68 -0.01 5.36 8.00 -0.64 -3.63 116.55 121.89 2k0f n ASP 76 Ca 0.05 0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.73 2k0f n ASP 76 Cb 0.16 0.43 0.60 0.00 -0.02 0.00 0.00 41.12 42.30 2k0f n ASP 76 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2k0f n SER 77 N -2.14 0.10 -0.05 -2.24 2.88 -0.57 -2.40 113.62 109.21 2k0f n SER 77 Ca 0.02 0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.61 2k0f n SER 77 Cb 0.46 -0.33 -0.12 0.00 -0.75 0.00 0.00 64.21 63.47 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2k0f h GLU 78 N 0.05 0.02 0.00 -1.46 4.81 -1.59 -3.38 114.58 113.04 2k0f h GLU 78 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 78 Cb 0.44 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 78 CO 0.00 0.84 -0.18 1.49 -0.73 0.00 0.00 179.01 180.43 2k0f h GLU 79 N -0.79 0.00 0.09 1.92 4.81 -1.62 -2.55 114.58 116.44 2k0f h GLU 79 Ca -0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 79 Cb 0.85 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 2k0f h GLU 79 CO 0.01 0.18 -0.41 1.49 -0.73 0.00 0.00 179.01 179.54 2k0f h GLU 80 N 0.00 -0.61 -0.42 1.92 4.81 -1.64 0.79 114.58 119.43 2k0f h GLU 80 Ca -0.00 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 80 Cb 0.36 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 80 CO 0.02 -0.40 0.09 0.82 -0.73 0.00 0.00 179.01 178.81 2k0f h ILE 81 N -0.63 1.23 -0.13 2.32 2.04 -1.67 -2.73 117.51 117.95 2k0f h ILE 81 Ca 0.03 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2k0f h ILE 81 Cb 0.67 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2k0f h ILE 81 CO -0.26 0.29 -0.18 0.03 0.00 0.00 0.00 178.15 178.03 2k0f h ARG 82 N 0.54 0.21 -0.33 2.37 3.08 -0.92 0.29 114.38 119.62 2k0f h ARG 82 Ca 0.13 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 82 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2k0f h ARG 82 CO 0.00 0.39 -0.20 0.93 -1.07 0.00 0.00 179.97 180.02 2k0f h GLU 83 N 0.19 0.72 -0.25 0.04 4.39 -0.92 -1.51 114.58 117.24 2k0f h GLU 83 Ca 0.04 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 2k0f h GLU 83 Cb 0.44 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2k0f h GLU 83 CO 0.03 0.95 -0.11 0.00 -1.16 0.00 0.00 179.01 178.72 2k0f h ALA 84 N 0.76 1.35 -0.32 3.43 0.00 -0.56 -1.94 119.26 121.98 2k0f h ALA 84 Ca 0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 84 Cb 0.75 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k0f h ALA 84 CO 0.06 0.44 -0.37 0.35 0.00 0.00 0.00 179.25 179.73 2k0f h PHE 85 N 0.39 0.99 0.00 0.00 3.57 -0.35 -2.91 116.94 118.63 2k0f h PHE 85 Ca 0.08 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 2k0f h PHE 85 Cb 0.43 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2k0f h PHE 85 CO 0.01 1.10 -0.06 0.00 -2.23 0.00 0.00 178.31 177.13 2k0f h ARG 86 N 0.60 0.00 -0.63 1.11 3.08 -1.06 0.20 114.38 117.68 2k0f h ARG 86 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2k0f h ARG 86 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 2k0f h ARG 86 CO 0.09 0.06 0.22 0.28 -1.07 0.00 0.00 179.97 179.55 2k0f h VAL 87 N 0.00 1.23 0.01 2.04 2.07 -1.16 -3.20 116.25 117.24 2k0f h VAL 87 Ca -0.00 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k0f h VAL 87 Cb 0.33 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2k0f h VAL 87 CO 0.01 0.30 -0.00 -0.26 0.02 0.00 0.00 177.57 177.63 2k0f h PHE 88 N 0.91 -0.01 -3.47 1.57 0.04 -1.31 -3.45 116.94 111.23 2k0f h PHE 88 Ca 0.21 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.41 2k0f h PHE 88 Cb 0.22 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.30 2k0f h PHE 88 CO 0.02 0.82 0.82 0.34 -0.60 0.00 0.00 178.31 179.71 2k0f s ASP 89 N -6.09 6.79 -0.09 2.17 2.15 0.00 -4.69 116.67 116.92 2k0f s ASP 89 Ca -0.16 0.78 -0.19 0.00 0.43 0.00 0.00 52.55 53.40 2k0f s ASP 89 Cb -0.02 -2.53 -0.29 0.00 -0.30 0.00 0.00 42.92 39.78 2k0f s ASP 89 CO 0.59 -0.99 0.70 0.50 -0.17 0.00 0.00 175.17 175.81 2k0f h LYS 90 N 8.51 0.24 0.40 4.34 1.63 -1.87 -3.41 116.57 126.41 2k0f h LYS 90 Ca -0.22 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.15 2k0f h LYS 90 Cb 1.06 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2k0f h LYS 90 CO 1.05 1.20 -0.19 0.38 -3.45 0.00 0.00 179.45 178.44 2k0f h ASP 91 N -0.40 -0.45 0.00 4.20 3.04 -1.94 -3.49 116.42 117.38 2k0f h ASP 91 Ca -0.22 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2k0f h ASP 91 Cb 1.65 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 40.05 2k0f h ASP 91 CO 0.08 -0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 2k0f n GLY 92 N -0.05 0.48 0.21 7.15 0.00 -1.26 -5.04 105.19 106.69 2k0f n GLY 92 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.62 0.90 2.92 9.14 0.00 -1.26 -5.05 105.19 112.45 2k0f n GLY 94 Ca 0.03 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 -0.41 1.61 1.51 -1.26 -4.21 117.35 112.35 2k0f s TYR 95 Ca 0.00 0.66 -0.29 0.00 -1.01 0.00 0.00 57.07 56.43 2k0f s TYR 95 Cb 0.00 -0.13 0.02 0.00 -0.11 0.00 0.00 41.96 41.74 2k0f s TYR 95 CO 0.00 -0.25 1.27 0.42 -1.11 0.00 0.00 175.55 175.88 2k0f s ILE 96 N 1.86 4.09 0.57 2.71 1.01 -0.34 -4.82 121.20 126.29 2k0f s ILE 96 Ca -0.02 1.14 -0.04 0.00 0.00 0.00 0.00 60.65 61.73 2k0f s ILE 96 Cb -0.12 -4.36 0.02 0.00 0.01 0.00 0.00 42.46 38.01 2k0f s ILE 96 CO -0.07 -0.79 0.85 -0.94 0.00 0.00 0.00 174.94 174.00 2k0f s SER 97 N 3.06 5.48 0.19 3.58 1.04 -1.26 -2.88 113.70 122.92 2k0f s SER 97 Ca 0.55 0.49 -0.17 0.00 0.48 0.00 0.00 55.95 57.30 2k0f s SER 97 Cb -0.12 -1.48 0.16 0.00 0.10 0.00 0.00 66.02 64.69 2k0f s SER 97 CO 0.30 -1.08 1.62 0.00 0.98 0.00 0.00 173.24 175.06 2k0f h ALA 98 N -0.09 0.20 -0.75 5.32 0.00 -1.96 0.93 119.26 122.92 2k0f h ALA 98 Ca -0.45 0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 98 Cb 1.27 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 2k0f h ALA 98 CO 0.59 -0.53 0.51 0.00 0.00 0.00 0.00 179.25 179.82 2k0f h ALA 99 N 1.31 2.38 0.00 0.00 0.00 -1.98 0.23 119.26 121.19 2k0f h ALA 99 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2k0f h ALA 99 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k0f h ALA 99 CO -0.58 -0.60 -0.01 0.93 0.00 0.00 0.00 179.25 179.00 2k0f h GLU 100 N 0.22 0.00 -0.50 0.00 5.08 -1.54 -3.19 114.58 114.64 2k0f h GLU 100 Ca 0.37 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.82 2k0f h GLU 100 Cb 1.12 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2k0f h GLU 100 CO -0.08 0.64 -0.33 1.25 -1.00 0.00 0.00 179.01 179.50 2k0f h LEU 101 N -1.00 -1.12 -0.54 1.33 5.85 -0.82 -2.12 115.31 116.89 2k0f h LEU 101 Ca -0.00 0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2k0f h LEU 101 Cb 0.65 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2k0f h LEU 101 CO -0.00 -0.31 0.10 0.03 -0.34 0.00 0.00 178.44 177.92 2k0f h ARG 102 N -0.20 0.89 -0.09 1.25 3.08 -0.71 -1.31 114.38 117.29 2k0f h ARG 102 Ca 0.21 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2k0f h ARG 102 Cb 0.54 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2k0f h ARG 102 CO -0.61 0.86 -0.08 1.25 -1.07 0.00 0.00 179.97 180.31 2k0f h HIS 103 N 0.78 -0.19 -0.41 3.04 2.76 -1.53 -0.86 115.15 118.74 2k0f h HIS 103 Ca 0.17 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 2k0f h HIS 103 Cb 0.39 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2k0f h HIS 103 CO 0.03 -0.12 -0.03 0.28 -1.30 0.00 0.00 177.93 176.78 2k0f h VAL 104 N -0.10 1.27 -0.28 5.26 2.07 -1.27 0.11 116.25 123.31 2k0f h VAL 104 Ca 0.06 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.57 2k0f h VAL 104 Cb 0.18 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2k0f h VAL 104 CO -0.15 0.37 -0.20 0.24 0.02 0.00 0.00 177.57 177.85 2k0f h MET 105 N 0.58 -0.18 -0.60 1.57 2.07 -1.18 0.22 114.93 117.41 2k0f h MET 105 Ca 0.11 0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.71 2k0f h MET 105 Cb 0.53 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.27 2k0f h MET 105 CO 0.03 -0.12 0.22 1.15 1.07 0.00 0.00 176.91 179.26 2k0f h THR 106 N -0.18 1.24 -0.00 2.22 2.02 -0.62 -1.44 112.91 116.14 2k0f h THR 106 Ca 0.15 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 66.43 2k0f h THR 106 Cb 0.41 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2k0f h THR 106 CO -0.39 0.29 -0.62 0.78 0.37 0.00 0.00 175.52 175.95 2k0f h ASN 107 N 0.84 0.01 0.93 4.18 4.21 -0.50 -3.16 115.58 122.09 2k0f h ASN 107 Ca 0.20 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 2k0f h ASN 107 Cb 0.24 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2k0f h ASN 107 CO -0.01 0.63 -0.45 0.25 -1.29 0.00 0.00 177.43 176.56 2k0f h LEU 108 N 0.01 -1.05 0.00 1.61 5.85 -0.54 -3.45 115.31 117.73 2k0f h LEU 108 Ca -0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k0f h LEU 108 Cb 1.10 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2k0f h LEU 108 CO 0.08 -0.75 0.00 0.61 -0.34 0.00 0.00 178.44 178.04 2k0f n GLY 109 N -1.62 -0.35 3.87 3.75 0.00 -1.14 -4.98 105.19 104.73 2k0f n GLY 109 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 3.65 -0.82 1.61 0.41 -0.56 -5.04 118.70 117.95 2k0f s GLU 110 Ca 0.00 0.04 0.01 0.00 -0.41 0.00 0.00 54.97 54.61 2k0f s GLU 110 Cb 0.00 -3.10 0.21 0.00 -1.78 0.00 0.00 34.13 29.47 2k0f s GLU 110 CO 0.00 0.65 0.73 1.63 -0.49 0.00 0.00 175.26 177.78 2k0f n LYS 111 N 1.28 2.48 -3.90 1.61 5.02 -1.26 -4.23 118.16 119.17 2k0f n LYS 111 Ca -0.12 -4.51 -0.37 0.00 -2.02 0.00 0.00 58.31 51.29 2k0f n LYS 111 Cb 0.53 -2.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.11 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -1.62 4.35 0.42 -0.35 1.43 -1.26 -5.10 118.68 116.55 2k0f s LEU 112 Ca 0.28 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2k0f s LEU 112 Cb -0.03 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2k0f s LEU 112 CO -0.12 0.40 0.65 0.42 0.23 0.00 0.00 176.35 177.94 2k0f s THR 113 N -0.97 4.61 0.31 5.49 -4.23 -1.26 -4.96 115.64 114.64 2k0f s THR 113 Ca 0.15 -0.33 0.15 0.00 -1.18 0.00 0.00 61.69 60.47 2k0f s THR 113 Cb -0.12 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.10 2k0f s THR 113 CO 0.04 -0.53 1.78 0.44 -0.54 0.00 0.00 174.62 175.80 2k0f h ASP 114 N 0.49 0.00 0.36 3.99 3.32 -1.99 -1.75 116.42 120.83 2k0f h ASP 114 Ca -0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 2k0f h ASP 114 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2k0f h ASP 114 CO 0.60 0.41 -0.58 1.05 -1.72 0.00 0.00 179.24 179.00 2k0f h GLU 115 N 0.00 0.23 0.56 3.56 4.11 -1.97 0.12 114.58 121.19 2k0f h GLU 115 Ca -0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 0.78 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2k0f h GLU 115 CO 0.05 0.75 -0.41 0.93 0.07 0.00 0.00 179.01 180.40 2k0f h GLU 116 N 0.18 -0.91 -0.21 1.06 5.08 -1.72 -0.23 114.58 117.83 2k0f h GLU 116 Ca -0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 116 Cb 1.08 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2k0f h GLU 116 CO 0.09 -0.61 0.11 0.28 -1.00 0.00 0.00 179.01 177.88 2k0f h VAL 117 N -0.95 1.12 -0.50 3.13 2.07 -1.35 0.70 116.25 120.48 2k0f h VAL 117 Ca -0.07 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.21 2k0f h VAL 117 Cb 0.79 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 2k0f h VAL 117 CO 0.02 0.12 -0.15 -0.78 0.02 0.00 0.00 177.57 176.80 2k0f h ASP 118 N 0.22 -0.56 -0.34 0.57 3.58 -0.81 -1.21 116.42 117.87 2k0f h ASP 118 Ca 0.07 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 118 Cb 0.10 0.35 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2k0f h ASP 118 CO -0.01 -0.19 0.13 -0.08 -2.88 0.00 0.00 179.24 176.21 2k0f h GLU 119 N -0.03 0.59 -0.38 0.28 4.81 -0.45 -0.05 114.58 119.34 2k0f h GLU 119 Ca 0.24 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 119 Cb 0.40 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2k0f h GLU 119 CO -0.54 0.52 -0.17 0.52 -0.73 0.00 0.00 179.01 178.61 2k0f h MET 120 N 0.58 0.79 -0.14 1.92 2.86 -0.47 0.61 114.93 121.08 2k0f h MET 120 Ca 0.14 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 2k0f h MET 120 Cb 0.17 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2k0f h MET 120 CO -0.01 0.96 -0.18 0.82 1.06 0.00 0.00 176.91 179.56 2k0f h ILE 121 N 0.59 1.21 -0.11 -1.22 2.04 -0.96 -1.57 117.51 117.49 2k0f h ILE 121 Ca 0.09 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2k0f h ILE 121 Cb 0.71 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2k0f h ILE 121 CO 0.05 0.29 -0.02 -0.09 0.00 0.00 0.00 178.15 178.38 2k0f h ARG 122 N 0.22 0.21 0.56 2.37 2.43 -0.28 -1.83 114.38 118.06 2k0f h ARG 122 Ca 0.04 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2k0f h ARG 122 Cb 0.46 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2k0f h ARG 122 CO 0.03 0.50 -0.27 1.49 -1.51 0.00 0.00 179.97 180.21 2k0f h GLU 123 N -0.10 -0.72 -0.39 0.20 4.81 0.18 -3.34 114.58 115.22 2k0f h GLU 123 Ca 0.03 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 123 Cb 0.41 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 2k0f h GLU 123 CO 0.01 -0.45 -0.04 0.00 -0.73 0.00 0.00 179.01 177.80 2k0f h ALA 124 N -0.42 0.31 -3.00 2.92 0.00 -1.30 -3.45 119.26 114.32 2k0f h ALA 124 Ca -0.08 0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 124 Cb 0.61 0.24 0.14 0.00 0.00 0.00 0.00 17.79 18.78 2k0f h ALA 124 CO 0.13 -0.43 0.50 0.34 0.00 0.00 0.00 179.25 179.79 2k0f s ASP 125 N -5.23 4.77 -0.02 0.00 2.15 -0.69 -4.82 116.67 112.82 2k0f s ASP 125 Ca -0.14 2.54 -0.04 0.00 0.43 0.00 0.00 52.55 55.35 2k0f s ASP 125 Cb 0.14 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.71 -1.89 -0.08 -0.38 -0.17 0.00 0.00 175.17 173.36 2k0f n ILE 126 N -1.83 0.79 0.00 4.11 5.41 -1.26 -4.96 119.36 121.61 2k0f n ILE 126 Ca 0.15 0.11 0.00 0.00 1.00 0.00 0.00 62.75 64.01 2k0f n ILE 126 Cb 0.49 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 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 -3.49 0.00 0.00 4.38 5.68 -1.26 -4.99 116.55 116.87 2k0f n ASP 127 Ca -0.09 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 2k0f n ASP 127 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 1.23 0.68 0.11 6.12 0.00 -1.26 -5.04 105.19 107.03 2k0f n GLY 128 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.30 0.00 1.61 3.04 -2.01 -3.48 116.42 115.88 2k0f h ASP 129 Ca 0.00 -0.47 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2k0f h ASP 129 Cb 0.05 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.24 2k0f h ASP 129 CO 0.00 1.40 0.00 0.61 -2.04 0.00 0.00 179.24 179.21 2k0f n GLY 130 N 1.68 0.71 3.55 7.15 0.00 -1.26 -5.09 105.19 111.92 2k0f n GLY 130 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.72 2.53 -0.21 1.61 -0.21 -1.26 -4.81 119.66 116.59 2k0f s GLN 131 Ca 0.00 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.60 2k0f s GLN 131 Cb 0.00 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2k0f s GLN 131 CO 0.00 0.62 0.09 0.08 -2.12 0.00 0.00 175.29 173.96 2k0f s VAL 132 N -0.88 4.89 0.60 1.09 1.01 -1.14 -4.84 120.40 121.12 2k0f s VAL 132 Ca 0.14 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2k0f s VAL 132 Cb -0.11 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.13 2k0f s VAL 132 CO 0.04 0.41 0.82 0.54 0.00 0.00 0.00 175.10 176.92 2k0f s ASN 133 N 0.72 4.99 0.08 3.32 2.20 -1.26 -1.19 114.94 123.80 2k0f s ASN 133 Ca 0.05 -0.79 -0.17 0.00 -0.94 0.00 0.00 52.86 51.01 2k0f s ASN 133 Cb -0.13 0.26 -0.09 0.00 -2.00 0.00 0.00 41.25 39.30 2k0f s ASN 133 CO 0.02 -1.42 1.45 0.22 -2.94 0.00 0.00 177.10 174.43 2k0f h TYR 134 N 0.08 0.62 -0.91 1.54 3.20 -1.99 -2.20 116.97 117.30 2k0f h TYR 134 Ca -0.31 -0.15 0.24 0.00 3.14 0.00 0.00 58.73 61.66 2k0f h TYR 134 Cb 1.29 -0.14 -0.13 0.00 1.54 0.00 0.00 36.73 39.28 2k0f h TYR 134 CO 0.34 0.79 0.38 0.93 -1.64 0.00 0.00 178.16 178.96 2k0f h GLU 135 N 0.27 0.32 -0.66 1.82 5.08 -1.96 0.20 114.58 119.66 2k0f h GLU 135 Ca 0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 135 Cb 0.62 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 135 CO 0.04 0.21 0.09 0.93 -1.00 0.00 0.00 179.01 179.28 2k0f h GLU 136 N 0.33 1.10 0.00 2.33 5.08 -1.82 -2.49 114.58 119.12 2k0f h GLU 136 Ca 0.59 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 136 Cb 1.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2k0f h GLU 136 CO -0.58 1.02 -0.65 0.35 -1.00 0.00 0.00 179.01 178.15 2k0f h PHE 137 N 1.02 0.00 -0.10 4.33 3.04 -0.77 -0.89 116.94 123.57 2k0f h PHE 137 Ca 0.20 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.97 2k0f h PHE 137 Cb 0.46 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.98 2k0f h PHE 137 CO 0.03 0.65 -0.65 0.28 -2.02 0.00 0.00 178.31 176.60 2k0f h VAL 138 N 0.00 1.33 -0.91 1.41 2.07 -0.93 -0.41 116.25 118.81 2k0f h VAL 138 Ca -0.01 -1.93 0.07 0.00 0.82 0.00 0.00 66.70 65.65 2k0f h VAL 138 Cb 1.17 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 2k0f h VAL 138 CO 0.08 0.59 0.59 1.56 0.02 0.00 0.00 177.57 180.42 2k0f h GLN 139 N 0.27 1.00 -0.00 1.57 4.20 -1.41 -2.79 115.11 117.94 2k0f h GLN 139 Ca -0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2k0f h GLN 139 Cb 1.30 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2k0f h GLN 139 CO 0.13 0.66 -0.02 1.98 -0.67 0.00 0.00 178.83 180.91 2k0f h MET 140 N 1.03 0.02 -0.00 1.46 4.05 -1.08 -3.36 114.93 117.04 2k0f h MET 140 Ca 0.40 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.82 2k0f h MET 140 Cb 0.21 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 2k0f h MET 140 CO -0.15 0.72 -0.16 1.98 0.23 0.00 0.00 176.91 179.52 2k0f h MET 141 N -0.67 -0.26 -0.02 0.39 1.85 -0.94 -3.51 114.93 111.77 2k0f h MET 141 Ca -0.00 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2k0f h MET 141 Cb 0.72 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.81 2k0f h MET 141 CO 0.00 -0.17 0.00 2.41 -0.40 0.00 0.00 176.91 178.75