#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 -0.74 -0.59 -0.78 5.08 -2.05 -2.35 114.58 113.15 2k0f h GLU 2 Ca 0.00 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 2 Cb 0.00 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 2 CO 0.00 -0.49 0.10 0.93 -1.00 0.00 0.00 179.01 178.55 2k0f h GLU 3 N -0.77 0.98 0.25 2.33 3.07 -2.07 -2.38 114.58 115.99 2k0f h GLU 3 Ca -0.01 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 2k0f h GLU 3 Cb 0.73 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2k0f h GLU 3 CO -0.17 0.92 -0.12 0.37 -1.40 0.00 0.00 179.01 178.62 2k0f h GLN 4 N 0.88 -0.32 -0.99 2.33 4.15 -2.02 -3.08 115.11 116.07 2k0f h GLN 4 Ca 0.18 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.70 2k0f h GLN 4 Cb 0.42 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 2k0f h GLN 4 CO 0.01 0.00 0.64 0.97 -1.93 0.00 0.00 178.83 178.52 2k0f h ILE 5 N -0.68 1.05 -0.38 2.39 2.10 -1.35 -2.67 117.51 117.98 2k0f h ILE 5 Ca -0.03 -0.38 0.11 0.00 1.08 0.00 0.00 64.86 65.63 2k0f h ILE 5 Cb 0.47 -0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 36.03 2k0f h ILE 5 CO 0.06 0.20 0.38 0.00 -1.08 0.00 0.00 178.15 177.70 2k0f h ALA 6 N 1.48 2.10 0.75 0.18 0.00 -1.34 -2.05 119.26 120.38 2k0f h ALA 6 Ca 0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2k0f h ALA 6 Cb 0.24 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 6 CO -0.18 -0.57 -0.36 0.93 0.00 0.00 0.00 179.25 179.07 2k0f h GLU 7 N 0.00 -0.97 -0.14 0.00 5.08 -1.41 -2.92 114.58 114.21 2k0f h GLU 7 Ca 0.18 0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 7 Cb 0.93 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k0f h GLU 7 CO -0.00 -0.63 -0.28 0.27 -1.00 0.00 0.00 179.01 177.36 2k0f h PHE 8 N -1.21 0.56 -0.43 4.33 -5.15 -1.68 -3.10 116.94 110.26 2k0f h PHE 8 Ca -0.10 -0.20 -0.04 0.00 -0.20 0.00 0.00 57.97 57.43 2k0f h PHE 8 Cb 0.79 -0.10 -0.02 0.00 0.22 0.00 0.00 35.95 36.84 2k0f h PHE 8 CO -0.00 0.90 0.12 -0.22 -2.00 0.00 0.00 178.31 177.11 2k0f h LYS 9 N 0.05 0.68 -0.01 6.09 3.64 -1.52 -0.03 116.57 125.48 2k0f h LYS 9 Ca 0.01 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 2k0f h LYS 9 Cb 0.87 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2k0f h LYS 9 CO 0.06 0.68 -0.67 0.93 -2.27 0.00 0.00 179.45 178.18 2k0f h GLU 10 N 0.56 0.04 0.00 1.90 4.39 -1.65 -3.19 114.58 116.62 2k0f h GLU 10 Ca 0.14 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 10 Cb 0.29 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2k0f h GLU 10 CO -0.00 0.69 -1.06 0.00 -1.16 0.00 0.00 179.01 177.48 2k0f h ALA 11 N 1.30 0.53 -0.00 3.43 0.00 -1.43 -2.52 119.26 120.57 2k0f h ALA 11 Ca -0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 11 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 11 CO 0.09 1.14 -0.33 0.35 0.00 0.00 0.00 179.25 180.51 2k0f h PHE 12 N 0.00 0.00 0.10 0.00 3.57 -1.11 -0.97 116.94 118.53 2k0f h PHE 12 Ca -0.07 -0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 12 Cb 1.71 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 2k0f h PHE 12 CO 0.00 0.33 -1.61 0.66 -2.23 0.00 0.00 178.31 175.47 2k0f h SER 13 N 0.00 0.32 0.12 0.41 4.64 -1.57 -3.23 113.55 114.24 2k0f h SER 13 Ca -0.00 -0.50 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2k0f h SER 13 Cb 0.58 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2k0f h SER 13 CO 0.04 1.42 -0.18 0.25 -0.87 0.00 0.00 176.83 177.50 2k0f h LEU 14 N 0.06 -0.49 -0.27 5.97 5.85 -1.22 -3.33 115.31 121.87 2k0f h LEU 14 Ca -0.27 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 14 Cb 2.01 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.21 2k0f h LEU 14 CO 0.14 -0.26 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.64 2k0f h PHE 15 N -0.36 0.59 -2.81 1.25 0.04 -1.32 -3.44 116.94 110.89 2k0f h PHE 15 Ca 0.02 -0.13 -0.53 0.00 2.80 0.00 0.00 57.97 60.13 2k0f h PHE 15 Cb 0.37 -0.14 0.02 0.00 2.20 0.00 0.00 35.95 38.40 2k0f h PHE 15 CO -0.17 0.74 0.89 0.34 -0.60 0.00 0.00 178.31 179.51 2k0f s ASP 16 N -6.13 6.67 0.13 2.17 -1.08 -1.22 -4.68 116.67 112.53 2k0f s ASP 16 Ca -0.13 2.44 -0.13 0.00 -0.52 0.00 0.00 52.55 54.21 2k0f s ASP 16 Cb 0.08 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 2k0f s ASP 16 CO 0.77 -0.80 1.50 0.50 0.52 0.00 0.00 175.17 177.66 2k0f h LYS 17 N 7.57 0.84 0.00 4.34 1.63 -1.86 -3.38 116.57 125.71 2k0f h LYS 17 Ca -0.42 -0.37 -0.09 0.00 -0.85 0.00 0.00 60.65 58.92 2k0f h LYS 17 Cb 1.20 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2k0f h LYS 17 CO 0.91 1.01 -0.90 -0.25 -3.45 0.00 0.00 179.45 176.77 2k0f n ASP 18 N -4.23 1.85 -0.12 4.20 8.00 -1.26 -5.01 116.55 119.98 2k0f n ASP 18 Ca -0.02 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2k0f n ASP 18 Cb 0.43 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.53 0.92 0.08 0.44 0.00 -1.26 -5.06 105.19 101.85 2k0f n GLY 19 Ca -0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 0.24 1.87 0.00 1.61 5.75 -1.26 -5.04 116.55 119.73 2k0f n ASP 20 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 2k0f n ASP 20 Cb 0.10 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 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 1.52 0.37 2.88 6.12 0.00 -1.26 -5.15 105.19 109.67 2k0f n GLY 21 Ca -0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 0.67 -0.34 2.61 -4.23 -1.26 -4.37 115.64 108.72 2k0f s THR 22 Ca 0.00 -0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 2k0f s THR 22 Cb 0.00 -0.72 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 2k0f s THR 22 CO 0.00 0.28 0.52 -0.63 -0.54 0.00 0.00 174.62 174.25 2k0f s ILE 23 N 1.34 5.01 0.25 2.99 1.01 -0.31 -4.95 121.20 126.54 2k0f s ILE 23 Ca -0.04 0.38 0.05 0.00 0.00 0.00 0.00 60.65 61.05 2k0f s ILE 23 Cb -0.14 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2k0f s ILE 23 CO -0.03 -0.20 0.35 0.42 0.00 0.00 0.00 174.94 175.49 2k0f s THR 24 N 2.40 5.03 0.20 2.92 -4.23 -1.26 -1.85 115.64 118.85 2k0f s THR 24 Ca 0.19 -1.04 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 2k0f s THR 24 Cb -0.15 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.10 2k0f s THR 24 CO 0.13 -0.31 1.66 0.74 -0.54 0.00 0.00 174.62 176.30 2k0f h THR 25 N 1.17 0.50 -0.46 3.99 2.02 -1.97 -2.06 112.91 116.11 2k0f h THR 25 Ca -0.51 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 2k0f h THR 25 Cb 1.23 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2k0f h THR 25 CO 0.60 0.01 0.04 0.11 0.37 0.00 0.00 175.52 176.65 2k0f h LYS 26 N 0.06 0.73 0.27 6.66 1.79 -1.97 -1.70 116.57 122.40 2k0f h LYS 26 Ca 0.28 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2k0f h LYS 26 Cb 0.44 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2k0f h LYS 26 CO -0.52 0.71 -0.13 0.93 -1.08 0.00 0.00 179.45 179.37 2k0f h GLU 27 N 0.69 -0.34 -0.22 3.15 5.08 -1.75 -2.18 114.58 119.00 2k0f h GLU 27 Ca 0.14 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 27 Cb 0.37 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 27 CO 0.01 -0.17 0.02 1.25 -1.00 0.00 0.00 179.01 179.12 2k0f h LEU 28 N -0.44 0.37 -1.04 1.33 5.85 -1.51 -2.53 115.31 117.33 2k0f h LEU 28 Ca -0.04 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 2k0f h LEU 28 Cb 0.33 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2k0f h LEU 28 CO 0.06 0.56 -0.05 1.23 -0.34 0.00 0.00 178.44 179.90 2k0f h GLY 29 N 0.16 0.68 1.56 3.75 0.00 -1.33 -1.55 103.07 106.34 2k0f h GLY 29 Ca 0.07 -0.45 -0.23 0.00 0.00 0.00 0.00 47.33 46.72 2k0f h GLY 29 CO 0.01 0.42 -0.95 -0.84 0.00 0.00 0.00 176.54 175.18 2k0f h THR 30 N 0.59 1.41 -0.78 4.70 2.02 -1.43 -2.35 112.91 117.08 2k0f h THR 30 Ca 0.12 -2.48 0.03 0.00 0.77 0.00 0.00 66.41 64.85 2k0f h THR 30 Cb 0.44 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 69.24 2k0f h THR 30 CO 0.02 0.74 0.50 0.58 0.37 0.00 0.00 175.52 177.73 2k0f h VAL 31 N 0.22 1.11 -0.26 3.16 2.07 -1.09 0.25 116.25 121.72 2k0f h VAL 31 Ca -0.08 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2k0f h VAL 31 Cb 1.59 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2k0f h VAL 31 CO 0.16 0.18 -0.10 0.24 0.02 0.00 0.00 177.57 178.07 2k0f h MET 32 N 0.97 0.52 0.00 1.57 2.86 -1.26 -1.48 114.93 118.10 2k0f h MET 32 Ca 0.31 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2k0f h MET 32 Cb 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2k0f h MET 32 CO -0.11 0.76 -0.22 -0.09 1.06 0.00 0.00 176.91 178.31 2k0f h ARG 33 N 0.25 0.00 0.00 1.72 2.43 -1.03 0.14 114.38 117.90 2k0f h ARG 33 Ca 0.06 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2k0f h ARG 33 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2k0f h ARG 33 CO 0.03 0.22 -0.42 0.77 -1.51 0.00 0.00 179.97 179.06 2k0f h SER 34 N 0.00 0.00 0.02 -3.80 0.02 -0.64 -3.28 113.55 105.87 2k0f h SER 34 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 34 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2k0f h SER 34 CO 0.03 0.42 -0.12 0.25 -1.14 0.00 0.00 176.83 176.27 2k0f h LEU 35 N 0.00 0.07 0.00 5.07 5.85 -0.06 -3.46 115.31 122.78 2k0f h LEU 35 Ca -0.00 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.76 2k0f h LEU 35 Cb 0.81 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 35 CO 0.05 1.02 0.00 0.61 -0.34 0.00 0.00 178.44 179.78 2k0f n GLY 36 N 1.51 -0.58 3.44 3.75 0.00 0.34 -5.04 105.19 108.61 2k0f n GLY 36 Ca -0.10 0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.34 -0.60 1.61 2.00 -0.93 -4.95 119.66 117.13 2k0f s GLN 37 Ca 0.00 0.86 -0.17 0.00 -2.00 0.00 0.00 55.36 54.05 2k0f s GLN 37 Cb 0.00 0.52 0.13 0.00 0.80 0.00 0.00 33.01 34.45 2k0f s GLN 37 CO 0.00 -0.13 0.62 1.21 -0.50 0.00 0.00 175.29 176.50 2k0f s ASN 38 N 2.55 6.26 1.00 6.67 2.47 -1.26 -2.36 114.94 130.27 2k0f s ASN 38 Ca -0.03 -1.76 -0.14 0.00 0.42 0.00 0.00 52.86 51.35 2k0f s ASN 38 Cb -0.07 -2.25 0.19 0.00 -1.45 0.00 0.00 41.25 37.67 2k0f s ASN 38 CO -0.18 -0.93 1.12 -2.16 -3.72 0.00 0.00 177.10 171.23 2k0f s PRO 39 N 1.88 0.40 -0.35 0.43 0.04 -1.26 -5.01 135.00 131.13 2k0f s PRO 39 Ca 0.09 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.13 2k0f s PRO 39 Cb -0.25 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2k0f s PRO 39 CO 0.03 -2.70 1.09 0.99 0.04 0.00 0.00 177.00 176.44 2k0f s THR 40 N -3.12 4.45 0.37 1.26 2.01 -1.26 -4.94 115.64 114.40 2k0f s THR 40 Ca 0.66 1.64 0.06 0.00 0.31 0.00 0.00 61.69 64.36 2k0f s THR 40 Cb -0.15 -4.45 0.29 0.00 0.01 0.00 0.00 72.50 68.19 2k0f s THR 40 CO 0.56 -0.58 1.97 -0.08 -0.69 0.00 0.00 174.62 175.80 2k0f h GLU 41 N 8.32 0.72 -0.59 4.92 4.81 -1.98 -1.03 114.58 129.74 2k0f h GLU 41 Ca -0.21 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 41 Cb 1.06 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 41 CO 1.05 0.47 0.20 0.00 -0.73 0.00 0.00 179.01 180.01 2k0f h ALA 42 N 1.62 0.75 -0.00 2.92 0.00 -1.98 -0.51 119.26 122.06 2k0f h ALA 42 Ca 0.29 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 2k0f h ALA 42 Cb 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k0f h ALA 42 CO -0.09 -0.21 -0.81 0.93 0.00 0.00 0.00 179.25 179.06 2k0f h GLU 43 N 0.38 0.10 -0.45 0.00 5.08 -1.72 0.33 114.58 118.29 2k0f h GLU 43 Ca 0.30 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 43 Cb 0.38 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 43 CO -0.31 0.86 0.15 1.25 -1.00 0.00 0.00 179.01 179.95 2k0f h LEU 44 N 0.06 0.65 -1.73 1.33 5.85 -0.96 -2.59 115.31 117.92 2k0f h LEU 44 Ca -0.02 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2k0f h LEU 44 Cb 1.42 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2k0f h LEU 44 CO 0.12 0.68 0.33 -0.61 -0.34 0.00 0.00 178.44 178.61 2k0f h GLN 45 N 0.59 0.31 -0.09 1.25 5.75 -0.92 -1.46 115.11 120.55 2k0f h GLN 45 Ca 0.15 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 2k0f h GLN 45 Cb 0.25 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 2k0f h GLN 45 CO -0.01 0.20 -0.00 0.22 -2.65 0.00 0.00 178.83 176.60 2k0f h ASP 46 N 0.32 0.15 -0.36 -0.69 3.58 -0.58 0.16 116.42 119.00 2k0f h ASP 46 Ca 0.22 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.38 2k0f h ASP 46 Cb 0.45 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2k0f h ASP 46 CO -0.05 0.43 0.18 -0.03 -2.88 0.00 0.00 179.24 176.89 2k0f h MET 47 N -0.13 0.37 -0.57 0.28 4.05 -1.10 -2.24 114.93 115.60 2k0f h MET 47 Ca 0.02 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2k0f h MET 47 Cb 0.35 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 2k0f h MET 47 CO 0.00 0.24 0.18 0.82 0.23 0.00 0.00 176.91 178.39 2k0f h ILE 48 N 0.38 1.22 0.00 1.77 2.04 -0.75 -2.28 117.51 119.89 2k0f h ILE 48 Ca 0.15 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2k0f h ILE 48 Cb 0.05 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2k0f h ILE 48 CO -0.10 0.28 0.00 0.59 0.00 0.00 0.00 178.15 178.92 2k0f n ASN 49 N -4.30 0.73 0.05 1.72 3.02 0.53 -0.20 115.26 116.81 2k0f n ASN 49 Ca 0.04 0.57 -0.14 0.00 -0.03 0.00 0.00 54.58 55.03 2k0f n ASN 49 Cb 0.20 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 38.55 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 0.49 0.20 3.52 4.81 -0.92 -3.35 114.58 119.32 2k0f h GLU 50 Ca 0.00 -0.49 -0.33 0.00 -0.13 0.00 0.00 59.36 58.41 2k0f h GLU 50 Cb 0.69 0.13 0.02 0.00 0.63 0.00 0.00 28.75 30.23 2k0f h GLU 50 CO 0.00 1.13 -1.56 0.28 -0.73 0.00 0.00 179.01 178.13 2k0f h VAL 51 N 0.29 1.10 -2.36 0.32 2.07 -0.85 -3.46 116.25 113.37 2k0f h VAL 51 Ca -0.08 -2.56 -0.55 0.00 0.82 0.00 0.00 66.70 64.33 2k0f h VAL 51 Cb 1.55 2.89 0.03 0.00 -1.52 0.00 0.00 31.29 34.24 2k0f h VAL 51 CO 0.16 0.82 1.13 -0.67 0.02 0.00 0.00 177.57 179.03 2k0f n ASP 52 N -3.71 3.93 -0.12 0.57 2.03 0.73 -4.91 116.55 115.06 2k0f n ASP 52 Ca -0.21 0.96 -0.22 0.00 0.52 0.00 0.00 54.79 55.84 2k0f n ASP 52 Cb 1.05 -1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 39.87 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 6.25 1.14 -0.46 -1.67 0.00 -1.26 -4.83 120.51 119.68 2k0f n ALA 53 Ca 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2k0f n ALA 53 Cb 0.36 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -4.29 0.00 0.00 0.00 5.68 -1.26 -4.94 116.55 111.74 2k0f n ASP 54 Ca -0.40 0.72 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 2k0f n ASP 54 Cb 0.75 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.45 0.00 0.04 6.12 0.00 -1.26 -5.07 105.19 104.57 2k0f n GLY 55 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.15 0.00 1.61 6.94 -1.26 -5.00 115.26 117.69 2k0f n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 56 Cb 0.00 1.65 0.00 0.00 -2.36 0.00 0.00 39.78 39.07 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.46 0.71 3.64 4.83 0.00 -1.26 -5.08 105.19 109.49 2k0f n GLY 57 Ca -0.13 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 3.71 0.05 2.61 -4.23 -1.26 -4.77 115.64 109.74 2k0f s THR 58 Ca 0.00 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.04 2k0f s THR 58 Cb 0.00 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 2k0f s THR 58 CO 0.00 0.08 1.07 -0.63 -0.54 0.00 0.00 174.62 174.60 2k0f s ILE 59 N -1.34 4.43 0.49 2.99 1.01 -0.77 -4.79 121.20 123.23 2k0f s ILE 59 Ca 0.24 1.80 0.06 0.00 0.00 0.00 0.00 60.65 62.75 2k0f s ILE 59 Cb -0.11 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2k0f s ILE 59 CO 0.17 0.17 0.38 -1.81 0.00 0.00 0.00 174.94 173.85 2k0f s ASP 60 N 0.84 4.74 0.04 3.58 1.11 -1.26 -1.17 116.67 124.54 2k0f s ASP 60 Ca 0.54 -1.07 -0.27 0.00 0.18 0.00 0.00 52.55 51.92 2k0f s ASP 60 Cb -0.25 0.03 -0.17 0.00 1.07 0.00 0.00 42.92 43.60 2k0f s ASP 60 CO 0.29 -0.92 1.41 0.15 1.18 0.00 0.00 175.17 177.28 2k0f h PHE 61 N 0.89 -0.52 0.00 4.23 3.57 -1.97 -0.29 116.94 122.85 2k0f h PHE 61 Ca -0.38 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.29 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2k0f h PHE 61 CO 0.78 -0.23 0.00 -0.35 -2.23 0.00 0.00 178.31 176.29 2k0f n PRO 62 N -5.25 0.54 -0.08 6.41 -0.04 -1.26 -1.81 135.00 133.51 2k0f n PRO 62 Ca -0.11 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 2k0f n PRO 62 Cb 0.28 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.01 -0.80 0.54 5.08 -1.88 -2.03 114.58 115.50 2k0f h GLU 63 Ca 0.00 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 63 Cb 0.07 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 2k0f h GLU 63 CO 0.00 1.01 -0.29 0.35 -1.00 0.00 0.00 179.01 179.08 2k0f h PHE 64 N -0.96 -0.76 -0.93 4.33 3.57 -0.93 0.36 116.94 121.62 2k0f h PHE 64 Ca -0.17 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.43 2k0f h PHE 64 Cb 1.18 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 2k0f h PHE 64 CO 0.19 -0.38 0.61 1.25 -2.23 0.00 0.00 178.31 177.75 2k0f h LEU 65 N -0.05 1.03 -0.87 0.59 5.85 -1.48 -1.52 115.31 118.85 2k0f h LEU 65 Ca 0.33 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 65 Cb 0.59 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2k0f h LEU 65 CO -0.83 0.72 0.04 0.74 -0.34 0.00 0.00 178.44 178.76 2k0f h THR 66 N 1.20 1.25 -0.01 1.05 2.02 -0.40 -2.89 112.91 115.12 2k0f h THR 66 Ca 0.36 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 2k0f h THR 66 Cb -0.05 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2k0f h THR 66 CO -0.10 0.36 -0.06 -0.03 0.37 0.00 0.00 175.52 176.07 2k0f h MET 67 N 0.82 0.06 0.00 6.66 1.85 -0.09 -3.17 114.93 121.06 2k0f h MET 67 Ca 0.16 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 2k0f h MET 67 Cb 0.44 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.48 2k0f h MET 67 CO 0.02 0.70 0.00 -1.33 -0.40 0.00 0.00 176.91 175.90 2k0f n MET 68 N -4.71 0.02 0.07 0.39 2.00 -0.59 -3.37 117.12 110.92 2k0f n MET 68 Ca -0.09 0.10 0.02 0.00 0.00 0.00 0.00 57.70 57.73 2k0f n MET 68 Cb 0.36 -1.53 -0.04 0.00 0.00 0.00 0.00 33.22 32.00 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N 2.80 0.64 -2.59 3.04 0.00 -1.49 -3.45 119.26 118.21 2k0f h ALA 69 Ca 0.00 -0.62 -0.54 0.00 0.00 0.00 0.00 54.91 53.74 2k0f h ALA 69 Cb 0.44 0.16 0.07 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 69 CO 0.00 0.70 0.87 -2.13 0.00 0.00 0.00 179.25 178.69 2k0f n ARG 70 N -2.93 2.54 -3.59 0.00 0.63 -1.20 -5.00 116.66 107.11 2k0f n ARG 70 Ca -0.06 0.91 -0.38 0.00 -0.92 0.00 0.00 57.85 57.41 2k0f n ARG 70 Cb 0.77 -2.69 -0.06 0.00 0.45 0.00 0.00 32.46 30.93 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 0.25 3.86 0.43 -0.14 2.47 -1.26 -5.06 119.74 120.28 2k0f s LYS 71 Ca 0.70 0.26 0.08 0.00 -1.56 0.00 0.00 55.97 55.45 2k0f s LYS 71 Cb -0.55 -3.24 0.01 0.00 -1.46 0.00 0.00 37.83 32.59 2k0f s LYS 71 CO 0.42 0.65 0.58 -1.64 0.16 0.00 0.00 175.35 175.51 2k0f s MET 72 N -0.85 2.78 0.54 4.03 -1.94 -1.26 -5.13 119.30 117.47 2k0f s MET 72 Ca 0.21 -1.28 -0.07 0.00 -1.71 0.00 0.00 55.69 52.83 2k0f s MET 72 Cb -0.15 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 33.92 2k0f s MET 72 CO 0.10 -0.31 0.88 -1.59 -0.01 0.00 0.00 175.02 174.10 2k0f s LYS 73 N -4.36 3.52 0.38 2.03 -2.85 -1.26 -4.98 119.74 112.23 2k0f s LYS 73 Ca 0.55 0.39 0.11 0.00 -1.00 0.00 0.00 55.97 56.02 2k0f s LYS 73 Cb -0.09 -2.26 0.77 0.00 -2.06 0.00 0.00 37.83 34.18 2k0f s LYS 73 CO 0.33 -0.37 1.88 -0.44 0.10 0.00 0.00 175.35 176.85 2k0f h ASP 74 N -0.01 0.13 -0.33 0.03 3.32 -2.00 -2.79 116.42 114.78 2k0f h ASP 74 Ca -0.46 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 2k0f h ASP 74 Cb 1.20 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 74 CO 0.62 0.38 -0.21 0.71 -1.72 0.00 0.00 179.24 179.02 2k0f h THR 75 N 0.12 1.29 -0.06 0.35 1.35 -2.00 -2.57 112.91 111.39 2k0f h THR 75 Ca 0.02 -1.34 -0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2k0f h THR 75 Cb 0.49 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2k0f h THR 75 CO 0.03 0.44 0.03 0.44 -0.25 0.00 0.00 175.52 176.21 2k0f h ASP 76 N 0.49 0.07 0.26 5.36 3.32 -1.95 -1.96 116.42 122.01 2k0f h ASP 76 Ca 0.07 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2k0f h ASP 76 Cb 0.75 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2k0f h ASP 76 CO 0.06 0.06 -0.13 -1.28 -1.72 0.00 0.00 179.24 176.23 2k0f h SER 77 N 0.09 -0.30 -0.64 6.45 0.87 -1.19 -3.05 113.55 115.78 2k0f h SER 77 Ca 0.02 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2k0f h SER 77 Cb 0.01 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2k0f h SER 77 CO -0.00 0.20 0.39 -0.33 -0.53 0.00 0.00 176.83 176.55 2k0f h GLU 78 N -0.99 0.88 -0.00 2.24 5.08 -1.37 -1.06 114.58 119.35 2k0f h GLU 78 Ca -0.04 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 78 Cb 0.45 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 78 CO 0.06 0.62 -0.60 1.49 -1.00 0.00 0.00 179.01 179.58 2k0f h GLU 79 N 0.89 0.01 -0.08 2.33 4.81 -1.44 -1.56 114.58 119.54 2k0f h GLU 79 Ca 0.23 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 79 Cb -0.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.36 2k0f h GLU 79 CO -0.04 0.61 -0.71 1.49 -0.73 0.00 0.00 179.01 179.62 2k0f h GLU 80 N 0.01 0.63 -0.76 1.92 4.81 -1.33 -1.33 114.58 118.53 2k0f h GLU 80 Ca -0.01 -0.57 0.13 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 80 Cb 1.07 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 2k0f h GLU 80 CO 0.08 1.18 0.34 0.82 -0.73 0.00 0.00 179.01 180.70 2k0f h ILE 81 N 0.28 0.73 -0.11 2.32 1.08 -1.20 -2.09 117.51 118.52 2k0f h ILE 81 Ca -0.07 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2k0f h ILE 81 Cb 1.37 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2k0f h ILE 81 CO 0.14 0.10 0.01 -0.09 -0.69 0.00 0.00 178.15 177.62 2k0f h ARG 82 N 0.52 0.18 -0.69 2.37 2.43 -1.15 -1.74 114.38 116.31 2k0f h ARG 82 Ca 0.40 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2k0f h ARG 82 Cb 0.56 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2k0f h ARG 82 CO -0.36 0.40 0.41 0.93 -1.51 0.00 0.00 179.97 179.85 2k0f h GLU 83 N -0.07 0.92 -0.34 0.20 4.39 -1.28 -2.49 114.58 115.92 2k0f h GLU 83 Ca 0.03 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 83 Cb 0.32 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2k0f h GLU 83 CO 0.00 0.65 -0.05 0.00 -1.16 0.00 0.00 179.01 178.45 2k0f h ALA 84 N 1.52 1.27 -0.37 3.43 0.00 -0.95 -1.69 119.26 122.47 2k0f h ALA 84 Ca 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k0f h ALA 84 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k0f h ALA 84 CO -0.05 0.48 0.12 0.35 0.00 0.00 0.00 179.25 180.16 2k0f h PHE 85 N 0.52 0.59 0.00 0.00 3.57 -1.24 -1.91 116.94 118.47 2k0f h PHE 85 Ca 0.10 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 85 Cb 0.42 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k0f h PHE 85 CO 0.02 0.56 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.54 2k0f h ARG 86 N 0.44 0.00 -0.03 1.11 2.43 -0.93 0.14 114.38 117.54 2k0f h ARG 86 Ca 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2k0f h ARG 86 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2k0f h ARG 86 CO -0.00 0.02 -0.09 0.28 -1.51 0.00 0.00 179.97 178.66 2k0f h VAL 87 N 0.00 1.46 -0.34 0.20 2.07 -1.11 -3.32 116.25 115.21 2k0f h VAL 87 Ca -0.00 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.10 2k0f h VAL 87 Cb 0.05 2.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.11 2k0f h VAL 87 CO 0.00 0.40 -0.21 0.15 0.02 0.00 0.00 177.57 177.94 2k0f h PHE 88 N -0.43 -0.54 -3.62 1.57 3.04 -1.02 -3.40 116.94 112.54 2k0f h PHE 88 Ca -0.00 0.04 -0.61 0.00 3.98 0.00 0.00 57.97 61.38 2k0f h PHE 88 Cb 0.71 0.29 -0.11 0.00 2.56 0.00 0.00 35.95 39.39 2k0f h PHE 88 CO 0.13 -0.29 0.49 0.34 -2.02 0.00 0.00 178.31 176.96 2k0f s ASP 89 N -5.10 6.50 -0.08 0.41 2.15 0.47 -4.77 116.67 116.24 2k0f s ASP 89 Ca -0.14 0.12 -0.27 0.00 0.43 0.00 0.00 52.55 52.69 2k0f s ASP 89 Cb 0.14 -2.42 -0.24 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 89 CO 0.69 -0.95 0.97 0.50 -0.17 0.00 0.00 175.17 176.21 2k0f h LYS 90 N 8.91 0.06 0.49 4.34 1.63 -1.83 -3.31 116.57 126.87 2k0f h LYS 90 Ca -0.24 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.47 2k0f h LYS 90 Cb 1.08 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 90 CO 0.99 0.86 -0.30 0.38 -3.45 0.00 0.00 179.45 177.93 2k0f h ASP 91 N -0.71 -0.77 0.00 4.20 3.04 -1.95 -3.48 116.42 116.76 2k0f h ASP 91 Ca -0.01 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2k0f h ASP 91 Cb 0.90 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2k0f h ASP 91 CO 0.02 -0.48 0.00 0.61 -2.04 0.00 0.00 179.24 177.35 2k0f n GLY 92 N -1.44 1.97 0.18 7.15 0.00 -1.25 -5.06 105.19 106.74 2k0f n GLY 92 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.69 0.00 1.61 -1.07 -1.93 -3.47 115.58 111.41 2k0f h ASN 93 Ca 0.00 -0.53 0.00 0.00 0.07 0.00 0.00 56.30 55.84 2k0f h ASN 93 Cb 0.00 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.04 2k0f h ASN 93 CO 0.00 1.33 0.00 0.61 0.07 0.00 0.00 177.43 179.44 2k0f n GLY 94 N 0.93 0.93 2.74 9.14 0.00 -1.26 -5.11 105.19 112.57 2k0f n GLY 94 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -1.59 -0.02 -0.19 1.61 2.02 -1.26 -4.24 117.35 113.68 2k0f s TYR 95 Ca 0.00 0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.74 2k0f s TYR 95 Cb 0.00 -0.36 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2k0f s TYR 95 CO 0.00 -0.19 1.44 0.42 -1.57 0.00 0.00 175.55 175.66 2k0f s ILE 96 N 1.93 3.96 0.53 2.71 1.01 0.10 -4.81 121.20 126.64 2k0f s ILE 96 Ca 0.01 1.12 0.09 0.00 0.00 0.00 0.00 60.65 61.87 2k0f s ILE 96 Cb -0.12 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.57 2k0f s ILE 96 CO -0.04 -0.23 0.69 -0.94 0.00 0.00 0.00 174.94 174.42 2k0f s SER 97 N 3.03 5.16 0.29 3.58 1.04 -1.26 -3.03 113.70 122.51 2k0f s SER 97 Ca 0.63 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 2k0f s SER 97 Cb -0.24 0.08 0.41 0.00 0.10 0.00 0.00 66.02 66.38 2k0f s SER 97 CO 0.23 -1.17 1.85 0.00 0.98 0.00 0.00 173.24 175.13 2k0f h ALA 98 N 0.36 1.25 -0.12 5.32 0.00 -1.95 -1.66 119.26 122.47 2k0f h ALA 98 Ca -0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 98 Cb 1.29 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k0f h ALA 98 CO 0.44 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 180.16 2k0f h ALA 99 N 1.37 0.16 -0.49 0.00 0.00 -1.98 -0.89 119.26 117.43 2k0f h ALA 99 Ca 0.20 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2k0f h ALA 99 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 99 CO -0.01 -0.04 -0.03 0.93 0.00 0.00 0.00 179.25 180.09 2k0f h GLU 100 N -0.11 0.84 -0.29 0.00 5.08 -1.90 -2.49 114.58 115.71 2k0f h GLU 100 Ca 0.02 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 100 Cb 0.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 100 CO 0.02 0.87 0.09 1.25 -1.00 0.00 0.00 179.01 180.24 2k0f h LEU 101 N 0.78 0.42 -0.53 1.33 5.85 -1.20 -2.81 115.31 119.15 2k0f h LEU 101 Ca 0.14 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2k0f h LEU 101 Cb 0.52 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2k0f h LEU 101 CO 0.03 0.51 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.52 2k0f h ARG 102 N 0.31 0.95 -0.37 1.25 2.43 -1.00 -2.31 114.38 115.64 2k0f h ARG 102 Ca 0.09 -0.31 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 2k0f h ARG 102 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2k0f h ARG 102 CO -0.00 0.97 -0.38 0.45 -1.51 0.00 0.00 179.97 179.49 2k0f h HIS 103 N 0.82 1.07 0.47 2.20 3.86 -1.51 -2.59 115.15 119.47 2k0f h HIS 103 Ca 0.15 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 59.01 2k0f h HIS 103 Cb 0.56 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2k0f h HIS 103 CO 0.04 1.13 -0.23 0.28 0.86 0.00 0.00 177.93 180.02 2k0f h VAL 104 N 0.73 0.54 -0.45 2.45 2.07 -1.21 -0.77 116.25 119.60 2k0f h VAL 104 Ca 0.06 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 2k0f h VAL 104 Cb 0.97 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2k0f h VAL 104 CO 0.09 0.00 -0.22 0.24 0.02 0.00 0.00 177.57 177.70 2k0f h MET 105 N -0.64 0.92 -0.56 1.57 2.86 -1.54 -1.57 114.93 115.97 2k0f h MET 105 Ca -0.06 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.22 2k0f h MET 105 Cb 0.49 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2k0f h MET 105 CO 0.11 1.04 0.32 1.15 1.06 0.00 0.00 176.91 180.59 2k0f h THR 106 N 0.79 1.02 -0.04 2.22 2.02 -1.37 0.33 112.91 117.88 2k0f h THR 106 Ca 0.10 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 2k0f h THR 106 Cb 0.78 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2k0f h THR 106 CO 0.06 0.11 -0.22 0.78 0.37 0.00 0.00 175.52 176.63 2k0f h ASN 107 N 0.62 0.06 -0.07 4.18 2.35 -0.87 -3.00 115.58 118.84 2k0f h ASN 107 Ca 0.23 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 2k0f h ASN 107 Cb 0.08 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2k0f h ASN 107 CO -0.13 0.28 -0.34 0.25 -1.65 0.00 0.00 177.43 175.84 2k0f h LEU 108 N 0.05 0.43 0.00 1.61 5.85 -1.14 -3.40 115.31 118.72 2k0f h LEU 108 Ca 0.01 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2k0f h LEU 108 Cb 0.42 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2k0f h LEU 108 CO 0.03 1.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.75 2k0f n GLY 109 N 0.70 0.03 3.98 3.75 0.00 -0.08 -4.95 105.19 108.62 2k0f n GLY 109 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 3.11 -0.43 1.61 0.41 -0.15 -4.96 118.70 118.29 2k0f s GLU 110 Ca 0.00 -0.82 -0.09 0.00 -0.41 0.00 0.00 54.97 53.65 2k0f s GLU 110 Cb 0.00 -2.73 0.09 0.00 -1.78 0.00 0.00 34.13 29.71 2k0f s GLU 110 CO 0.00 -0.04 0.28 0.15 -0.49 0.00 0.00 175.26 175.15 2k0f s LYS 111 N -4.30 2.55 -0.36 1.61 1.02 -1.26 -4.16 119.74 114.83 2k0f s LYS 111 Ca 0.46 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 54.74 2k0f s LYS 111 Cb -0.10 -3.80 -0.00 0.00 -0.52 0.00 0.00 37.83 33.40 2k0f s LYS 111 CO 0.33 -1.02 0.41 -0.51 -0.92 0.00 0.00 175.35 173.65 2k0f s LEU 112 N 1.40 4.49 0.66 3.17 1.43 -1.26 -5.08 118.68 123.49 2k0f s LEU 112 Ca 0.04 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 2k0f s LEU 112 Cb -0.24 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2k0f s LEU 112 CO 0.01 -0.41 1.10 0.42 0.23 0.00 0.00 176.35 177.70 2k0f s THR 113 N 2.12 3.34 0.11 5.49 -4.23 -1.26 -4.94 115.64 116.27 2k0f s THR 113 Ca 0.13 0.60 0.25 0.00 -1.18 0.00 0.00 61.69 61.49 2k0f s THR 113 Cb -0.16 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.80 2k0f s THR 113 CO 0.12 -0.41 1.83 0.44 -0.54 0.00 0.00 174.62 176.06 2k0f h ASP 114 N -0.05 0.00 -0.02 3.99 5.19 -1.99 -1.69 116.42 121.85 2k0f h ASP 114 Ca -0.46 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 55.97 2k0f h ASP 114 Cb 1.24 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 2k0f h ASP 114 CO 0.54 0.20 -0.13 -0.08 -3.12 0.00 0.00 179.24 176.65 2k0f h GLU 115 N 0.00 -0.21 0.68 3.56 4.81 -2.00 -3.01 114.58 118.42 2k0f h GLU 115 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 115 Cb 0.74 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.17 2k0f h GLU 115 CO 0.03 -0.14 -0.33 0.93 -0.73 0.00 0.00 179.01 178.77 2k0f h GLU 116 N -0.22 -0.89 -0.79 1.92 5.08 -1.74 -2.00 114.58 115.94 2k0f h GLU 116 Ca 0.05 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 116 Cb 0.28 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 116 CO -0.14 -0.58 -0.53 0.28 -1.00 0.00 0.00 179.01 177.04 2k0f h VAL 117 N -0.95 0.00 -0.82 3.13 2.07 -1.36 -0.02 116.25 118.30 2k0f h VAL 117 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.48 2k0f h VAL 117 Cb 0.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2k0f h VAL 117 CO 0.15 0.00 0.50 -0.78 0.02 0.00 0.00 177.57 177.47 2k0f h ASP 118 N -0.08 0.79 0.94 0.57 3.58 -1.55 -1.70 116.42 118.98 2k0f h ASP 118 Ca 0.13 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k0f h ASP 118 Cb 0.41 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k0f h ASP 118 CO -0.79 0.51 0.00 -0.08 -2.88 0.00 0.00 179.24 176.01 2k0f h GLU 119 N 0.93 0.00 0.06 0.28 4.81 -0.29 0.42 114.58 120.79 2k0f h GLU 119 Ca 0.36 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 119 Cb 0.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2k0f h GLU 119 CO -0.17 0.00 -1.96 -1.33 -0.73 0.00 0.00 179.01 174.82 2k0f n MET 120 N -2.47 0.70 -0.22 1.92 2.81 -0.25 -2.12 117.12 117.47 2k0f n MET 120 Ca 0.02 0.24 -0.08 0.00 -1.81 0.00 0.00 57.70 56.08 2k0f n MET 120 Cb 0.28 -1.71 0.05 0.00 -0.71 0.00 0.00 33.22 31.13 2k0f n MET 120 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2k0f h ILE 121 N 0.03 1.26 0.00 2.02 1.08 -0.62 -2.83 117.51 118.46 2k0f h ILE 121 Ca -0.39 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 2k0f h ILE 121 Cb 2.03 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 2k0f h ILE 121 CO 0.07 0.40 0.00 -1.14 -0.69 0.00 0.00 178.15 176.79 2k0f n ARG 122 N -4.20 0.00 -0.31 2.37 3.00 0.14 -1.14 116.66 116.52 2k0f n ARG 122 Ca 0.04 0.89 0.16 0.00 -0.00 0.00 0.00 57.85 58.94 2k0f n ARG 122 Cb 0.31 -1.44 0.34 0.00 0.00 0.00 0.00 32.46 31.68 2k0f n ARG 122 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2k0f h GLU 123 N 0.00 0.31 0.00 -0.14 4.81 -1.49 -2.99 114.58 115.09 2k0f h GLU 123 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 123 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k0f h GLU 123 CO 0.00 0.21 -0.54 0.00 -0.73 0.00 0.00 179.01 177.95 2k0f h ALA 124 N 1.77 0.09 -2.04 2.92 0.00 -1.42 -3.44 119.26 117.13 2k0f h ALA 124 Ca 0.60 -0.63 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 124 Cb 1.23 0.37 -0.19 0.00 0.00 0.00 0.00 17.79 19.21 2k0f h ALA 124 CO -0.59 0.36 0.67 0.34 0.00 0.00 0.00 179.25 180.02 2k0f s ASP 125 N -6.16 6.60 0.03 0.00 -1.08 -0.29 -4.82 116.67 110.94 2k0f s ASP 125 Ca -0.17 -2.04 0.22 0.00 -0.52 0.00 0.00 52.55 50.04 2k0f s ASP 125 Cb 0.02 -2.37 -0.16 0.00 -1.46 0.00 0.00 42.92 38.95 2k0f s ASP 125 CO 0.40 -1.02 0.78 0.00 0.52 0.00 0.00 175.17 175.85 2k0f n ILE 126 N 5.30 0.13 -0.04 4.11 3.06 -1.26 -4.64 119.36 126.02 2k0f n ILE 126 Ca 0.19 -0.36 -0.14 0.00 -2.50 0.00 0.00 62.75 59.94 2k0f n ILE 126 Cb 0.48 0.17 -0.11 0.00 0.54 0.00 0.00 39.64 40.72 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 2k0f h ASP 127 N 0.00 0.08 0.00 9.51 2.03 -1.97 -3.49 116.42 122.58 2k0f h ASP 127 Ca 0.00 -0.74 0.00 0.00 -0.73 0.00 0.00 57.03 55.56 2k0f h ASP 127 Cb 0.84 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 2k0f h ASP 127 CO 0.00 0.80 0.00 0.61 -1.03 0.00 0.00 179.24 179.62 2k0f n GLY 128 N 0.91 0.17 0.27 7.15 0.00 -1.26 -5.03 105.19 107.40 2k0f n GLY 128 Ca -0.09 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.88 0.00 1.61 3.04 -1.94 -3.47 116.42 116.54 2k0f h ASP 129 Ca 0.00 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2k0f h ASP 129 Cb 0.00 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.05 2k0f h ASP 129 CO 0.00 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 178.89 2k0f n GLY 130 N -0.13 0.26 3.57 7.15 0.00 -1.26 -5.04 105.19 109.73 2k0f n GLY 130 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.87 3.87 -0.62 1.61 -0.21 -1.26 -4.91 119.66 117.27 2k0f s GLN 131 Ca 0.00 -0.38 -0.22 0.00 0.02 0.00 0.00 55.36 54.78 2k0f s GLN 131 Cb 0.00 -3.32 0.07 0.00 1.00 0.00 0.00 33.01 30.76 2k0f s GLN 131 CO 0.00 0.06 0.91 0.08 -2.12 0.00 0.00 175.29 174.21 2k0f s VAL 132 N 0.98 4.43 0.00 1.09 1.01 -1.17 -4.90 120.40 121.84 2k0f s VAL 132 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2k0f s VAL 132 Cb -0.14 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2k0f s VAL 132 CO 0.03 -1.33 0.00 -0.46 0.00 0.00 0.00 175.10 173.35 2k0f n ASN 133 N 7.40 -0.02 0.25 3.32 0.23 -1.26 -0.72 115.26 124.46 2k0f n ASN 133 Ca -0.04 -0.61 -0.10 0.00 -0.53 0.00 0.00 54.58 53.29 2k0f n ASN 133 Cb 0.45 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.64 -0.61 -0.13 -2.53 3.20 -1.97 -1.92 116.97 112.36 2k0f h TYR 134 Ca 0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2k0f h TYR 134 Cb 0.00 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2k0f h TYR 134 CO 0.00 -0.38 -0.12 0.93 -1.64 0.00 0.00 178.16 176.94 2k0f h GLU 135 N -0.90 0.21 -0.81 1.82 5.08 -1.97 -0.73 114.58 117.27 2k0f h GLU 135 Ca -0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 135 Cb 0.51 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 135 CO 0.11 0.34 0.48 0.93 -1.00 0.00 0.00 179.01 179.88 2k0f h GLU 136 N 0.20 1.11 -0.56 2.33 5.08 -1.95 0.75 114.58 121.55 2k0f h GLU 136 Ca 0.04 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 136 Cb 0.35 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 136 CO 0.02 0.79 0.06 0.35 -1.00 0.00 0.00 179.01 179.23 2k0f h PHE 137 N 1.12 1.01 -0.20 4.33 3.57 -0.50 -2.23 116.94 124.03 2k0f h PHE 137 Ca 0.29 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 137 Cb -0.03 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2k0f h PHE 137 CO -0.00 0.90 -0.05 0.28 -2.23 0.00 0.00 178.31 177.21 2k0f h VAL 138 N 0.83 1.28 -0.37 1.41 2.07 -0.90 -2.73 116.25 117.84 2k0f h VAL 138 Ca 0.17 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2k0f h VAL 138 Cb 0.46 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2k0f h VAL 138 CO 0.02 0.31 0.22 -0.61 0.02 0.00 0.00 177.57 177.53 2k0f h GLN 139 N 0.10 0.49 -0.97 1.57 5.75 -0.85 -1.49 115.11 119.72 2k0f h GLN 139 Ca 0.05 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2k0f h GLN 139 Cb 0.49 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 2k0f h GLN 139 CO 0.02 0.35 0.63 1.98 -2.65 0.00 0.00 178.83 179.16 2k0f h MET 140 N 0.50 1.19 0.15 1.69 4.05 -1.31 -3.29 114.93 117.92 2k0f h MET 140 Ca 0.13 -0.07 -0.29 0.00 -0.28 0.00 0.00 59.70 59.19 2k0f h MET 140 Cb -0.02 -0.27 0.01 0.00 -0.80 0.00 0.00 31.60 30.52 2k0f h MET 140 CO -0.03 0.79 -1.29 0.52 0.23 0.00 0.00 176.91 177.13 2k0f h MET 141 N 1.23 0.32 -0.03 0.39 2.86 -1.09 -3.51 114.93 115.10 2k0f h MET 141 Ca 0.38 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 141 Cb -0.01 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2k0f h MET 141 CO -0.12 1.26 0.00 0.25 1.06 0.00 0.00 176.91 179.36