#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1f n HIS 5 N 0.00 0.11 0.23 3.10 8.25 -1.26 -4.15 115.22 121.50 1n1f n HIS 5 Ca 0.00 0.03 0.14 0.00 -0.26 0.00 0.00 57.72 57.63 1n1f n HIS 5 Cb 0.00 -0.39 0.55 0.00 1.12 0.00 0.00 29.99 31.27 1n1f n HIS 5 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1n1f h GLY 6 N 4.91 0.00 1.37 -1.41 0.00 -2.02 -0.82 103.07 105.11 1n1f h GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n1f h GLY 6 CO 0.00 0.00 0.04 1.04 0.00 0.00 0.00 176.54 177.62 1n1f n LEU 7 N -2.97 0.00 -0.85 3.11 7.99 -1.26 0.16 117.00 123.19 1n1f n LEU 7 Ca 0.03 0.25 0.12 0.00 -0.01 0.00 0.00 56.01 56.40 1n1f n LEU 7 Cb 0.71 -0.25 0.28 0.00 -0.11 0.00 0.00 43.42 44.05 1n1f n LEU 7 CO 0.13 -0.25 0.73 0.54 -1.51 0.00 0.00 177.39 177.03 1n1f n ARG 8 N -1.23 2.12 -0.03 3.23 5.12 -0.31 -4.07 116.66 121.49 1n1f n ARG 8 Ca 0.00 -1.68 0.07 0.00 -1.93 0.00 0.00 57.85 54.31 1n1f n ARG 8 Cb 0.04 -1.46 0.07 0.00 -1.16 0.00 0.00 32.46 29.95 1n1f n ARG 8 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1n1f n ARG 9 N 0.93 1.10 0.00 5.56 -4.01 0.42 0.15 116.66 120.81 1n1f n ARG 9 Ca 0.17 -1.40 0.06 0.00 -1.04 0.00 0.00 57.85 55.64 1n1f n ARG 9 Cb 0.48 -1.26 0.30 0.00 -3.04 0.00 0.00 32.46 28.95 1n1f n ARG 9 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1n1f n LEU 11 N -1.37 1.33 -0.08 0.00 4.77 -1.26 -4.18 117.00 116.21 1n1f n LEU 11 Ca 0.05 -1.46 0.13 0.00 -0.03 0.00 0.00 56.01 54.70 1n1f n LEU 11 Cb 0.12 -0.04 0.51 0.00 -2.33 0.00 0.00 43.42 41.68 1n1f n LEU 11 CO 0.11 0.36 1.19 -0.29 -1.33 0.00 0.00 177.39 177.42 1n1f h ILE 12 N 1.27 0.88 0.00 -0.08 6.09 -1.44 0.58 117.51 124.82 1n1f h ILE 12 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1n1f h ILE 12 Cb 0.75 0.47 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1n1f h ILE 12 CO 0.00 0.07 0.00 -1.54 -3.07 0.00 0.00 178.15 173.61 1n1f n SER 13 N -4.47 0.00 -4.78 2.19 3.41 -1.26 -3.26 113.62 105.45 1n1f n SER 13 Ca 0.10 0.14 -0.39 0.00 -0.26 0.00 0.00 58.87 58.46 1n1f n SER 13 Cb 0.39 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1n1f n SER 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n1f s THR 14 N -2.71 4.59 -0.63 6.66 2.01 0.20 -4.97 115.64 120.79 1n1f s THR 14 Ca 0.18 1.50 -0.16 0.00 0.31 0.00 0.00 61.69 63.52 1n1f s THR 14 Cb 0.15 -4.04 0.14 0.00 0.01 0.00 0.00 72.50 68.76 1n1f s THR 14 CO 0.36 0.50 0.63 -0.62 -0.69 0.00 0.00 174.62 174.79 1n1f s ASP 15 N -0.85 6.32 0.36 3.53 3.68 -1.26 -2.74 116.67 125.71 1n1f s ASP 15 Ca 0.34 -1.90 0.13 0.00 2.13 0.00 0.00 52.55 53.25 1n1f s ASP 15 Cb -0.21 -2.24 0.96 0.00 -1.45 0.00 0.00 42.92 39.98 1n1f s ASP 15 CO 0.23 -0.87 1.78 -0.03 0.13 0.00 0.00 175.17 176.40 1n1f h MET 16 N 8.73 0.52 -0.68 4.34 1.85 -1.44 0.19 114.93 128.43 1n1f h MET 16 Ca -0.20 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 58.81 1n1f h MET 16 Cb 1.08 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.96 1n1f h MET 16 CO 1.00 0.34 0.24 1.25 -0.40 0.00 0.00 176.91 179.34 1n1f h HIS 17 N 0.53 1.06 -0.11 1.39 6.17 -1.91 0.22 115.15 122.50 1n1f h HIS 17 Ca 0.58 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.58 1n1f h HIS 17 Cb 1.24 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 30.85 1n1f h HIS 17 CO -0.00 0.83 0.06 1.25 0.71 0.00 0.00 177.93 180.77 1n1f h HIS 18 N 1.00 0.11 -0.35 5.26 6.17 -0.98 0.18 115.15 126.54 1n1f h HIS 18 Ca 0.23 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.26 1n1f h HIS 18 Cb 0.25 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.13 1n1f h HIS 18 CO 0.02 0.06 0.00 0.82 0.71 0.00 0.00 177.93 179.55 1n1f h ILE 19 N 0.12 1.26 -0.60 6.26 2.04 -1.35 -1.63 117.51 123.60 1n1f h ILE 19 Ca 0.04 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.98 1n1f h ILE 19 Cb 0.00 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1n1f h ILE 19 CO -0.02 0.32 0.34 -0.33 0.00 0.00 0.00 178.15 178.45 1n1f h GLU 20 N 0.42 0.63 0.30 2.37 5.08 -0.35 -0.09 114.58 122.95 1n1f h GLU 20 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1n1f h GLU 20 Cb 0.45 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1n1f h GLU 20 CO 0.02 0.42 -0.15 0.93 -1.00 0.00 0.00 179.01 179.23 1n1f h GLU 21 N 0.65 -0.39 -0.82 2.33 5.08 -0.41 0.20 114.58 121.21 1n1f h GLU 21 Ca 0.26 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.84 1n1f h GLU 21 Cb 0.12 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.33 1n1f h GLU 21 CO -0.15 -0.10 0.23 0.77 -1.00 0.00 0.00 179.01 178.76 1n1f h SER 22 N -0.69 0.05 -0.65 1.42 0.02 -1.04 -0.34 113.55 112.33 1n1f h SER 22 Ca -0.04 0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1n1f h SER 22 Cb 0.48 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1n1f h SER 22 CO 0.07 -0.07 0.09 0.15 -1.14 0.00 0.00 176.83 175.92 1n1f h PHE 23 N 0.27 1.17 -0.13 3.45 3.57 -0.64 -2.55 116.94 122.07 1n1f h PHE 23 Ca 0.49 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1n1f h PHE 23 Cb 0.90 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1n1f h PHE 23 CO -0.25 0.98 0.07 1.96 -2.23 0.00 0.00 178.31 178.84 1n1f h GLN 24 N 1.02 0.18 -0.12 1.11 1.08 0.11 0.29 115.11 118.77 1n1f h GLN 24 Ca 0.20 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1n1f h GLN 24 Cb 0.46 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1n1f h GLN 24 CO 0.02 0.14 -0.01 0.93 -0.95 0.00 0.00 178.83 178.95 1n1f h GLU 25 N 0.18 0.16 -0.00 1.46 4.39 -0.85 -3.20 114.58 116.72 1n1f h GLU 25 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1n1f h GLU 25 Cb 0.02 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1n1f h GLU 25 CO -0.01 0.20 -0.01 0.44 -1.16 0.00 0.00 179.01 178.47 1n1f n ILE 26 N -4.42 0.00 -0.22 3.13 -5.35 -0.67 -4.76 119.36 107.06 1n1f n ILE 26 Ca -0.01 -0.49 0.03 0.00 -0.27 0.00 0.00 62.75 62.00 1n1f n ILE 26 Cb 0.16 1.03 0.14 0.00 -1.74 0.00 0.00 39.64 39.22 1n1f n ILE 26 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1n1f h LYS 27 N 0.26 0.22 -0.25 6.28 3.64 -0.46 0.18 116.57 126.44 1n1f h LYS 27 Ca 0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1n1f h LYS 27 Cb 0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1n1f h LYS 27 CO 0.00 0.14 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.12 1n1f h ARG 28 N 0.22 0.52 -0.57 1.90 2.43 -1.85 0.27 114.38 117.30 1n1f h ARG 28 Ca 0.36 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1n1f h ARG 28 Cb 0.59 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1n1f h ARG 28 CO -0.49 0.77 0.07 0.00 -1.51 0.00 0.00 179.97 178.82 1n1f h ALA 29 N 0.73 1.05 0.00 2.80 0.00 -1.63 -0.92 119.26 121.30 1n1f h ALA 29 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1n1f h ALA 29 Cb 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1n1f h ALA 29 CO 0.03 0.61 -0.21 0.82 0.00 0.00 0.00 179.25 180.51 1n1f h ILE 30 N 0.88 1.57 0.00 0.00 1.08 -0.52 -3.23 117.51 117.28 1n1f h ILE 30 Ca 0.18 -1.96 -0.04 0.00 -0.39 0.00 0.00 64.86 62.65 1n1f h ILE 30 Cb 0.41 2.83 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 1n1f h ILE 30 CO 0.01 0.53 -0.18 1.56 -0.69 0.00 0.00 178.15 179.38 1n1f h GLN 31 N -0.57 0.00 0.00 2.37 4.20 -0.42 0.63 115.11 121.32 1n1f h GLN 31 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1n1f h GLN 31 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1n1f h GLN 31 CO 0.04 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 1n1f h ALA 32 N 1.82 1.00 -0.03 3.87 0.00 -1.18 -0.83 119.26 123.90 1n1f h ALA 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n1f h ALA 32 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1n1f h ALA 32 CO 0.02 -0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1n1f n LYS 33 N -2.82 2.25 -1.85 0.00 5.02 0.21 -4.88 118.16 116.09 1n1f n LYS 33 Ca -0.02 -1.81 -0.42 0.00 -2.02 0.00 0.00 58.31 54.04 1n1f n LYS 33 Cb 0.06 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1n1f n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1n1f s ASP 34 N -1.99 5.52 0.00 4.39 2.15 -0.32 -4.87 116.67 121.55 1n1f s ASP 34 Ca 0.29 1.30 0.27 0.00 0.43 0.00 0.00 52.55 54.84 1n1f s ASP 34 Cb 0.20 -2.52 1.18 0.00 -0.30 0.00 0.00 42.92 41.48 1n1f s ASP 34 CO 0.30 -2.00 1.86 0.35 -0.17 0.00 0.00 175.17 175.51 1n1f n THR 35 N 7.55 0.17 -3.36 1.71 -2.24 -1.26 -4.13 114.28 112.72 1n1f n THR 35 Ca 0.26 0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.83 1n1f n THR 35 Cb 0.48 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1n1f n THR 35 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n1f n PHE 36 N -1.45 0.63 0.23 4.78 3.72 -1.26 -4.97 117.46 119.14 1n1f n PHE 36 Ca 0.08 -3.69 0.06 0.00 -0.05 0.00 0.00 57.45 53.85 1n1f n PHE 36 Cb 0.29 -0.26 0.53 0.00 -0.94 0.00 0.00 39.48 39.10 1n1f n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1n1f h PRO 37 N 4.59 0.00 0.00 -1.08 0.13 -2.00 -2.59 132.00 131.05 1n1f h PRO 37 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1n1f h PRO 37 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1n1f h PRO 37 CO 0.54 0.17 0.00 -1.71 -0.23 0.00 0.00 178.00 176.77 1n1f n ASN 38 N -4.27 0.00 -4.32 1.44 5.15 -1.26 -4.76 115.26 107.24 1n1f n ASN 38 Ca -0.02 -0.42 -0.19 0.00 -0.60 0.00 0.00 54.58 53.35 1n1f n ASN 38 Cb 0.24 -0.10 -0.10 0.00 -0.53 0.00 0.00 39.78 39.28 1n1f n ASN 38 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1n1f s VAL 39 N -2.20 1.66 -0.10 3.44 0.11 -0.98 -5.14 120.40 117.19 1n1f s VAL 39 Ca 0.27 -2.07 0.03 0.00 -2.93 0.00 0.00 61.98 57.28 1n1f s VAL 39 Cb 0.14 -1.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 1n1f s VAL 39 CO 0.26 -0.52 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.42 1n1f s THR 40 N -2.68 2.44 0.01 5.04 2.01 -1.26 -4.96 115.64 116.25 1n1f s THR 40 Ca 0.19 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 1n1f s THR 40 Cb -0.02 -1.96 -0.24 0.00 0.01 0.00 0.00 72.50 70.29 1n1f s THR 40 CO 0.06 0.55 1.10 0.40 -0.69 0.00 0.00 174.62 176.04 1n1f h ILE 41 N 5.38 1.41 0.00 1.82 2.04 -1.94 -3.18 117.51 123.03 1n1f h ILE 41 Ca -0.26 -2.15 -0.06 0.00 1.00 0.00 0.00 64.86 63.40 1n1f h ILE 41 Cb 1.21 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.88 1n1f h ILE 41 CO 0.50 0.63 -0.12 0.18 0.00 0.00 0.00 178.15 179.34 1n1f n LEU 42 N -4.14 5.27 -0.31 1.44 4.77 -1.26 -4.51 117.00 118.26 1n1f n LEU 42 Ca -0.11 -2.63 0.11 0.00 -0.03 0.00 0.00 56.01 53.36 1n1f n LEU 42 Cb 0.72 -1.21 0.29 0.00 -2.33 0.00 0.00 43.42 40.89 1n1f n LEU 42 CO 0.49 1.21 1.08 0.77 -1.33 0.00 0.00 177.39 179.61 1n1f h SER 43 N 1.64 0.45 -0.70 -1.43 4.64 -1.94 0.34 113.55 116.55 1n1f h SER 43 Ca 0.06 0.13 0.19 0.00 -0.47 0.00 0.00 61.79 61.69 1n1f h SER 43 Cb 1.15 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1n1f h SER 43 CO 0.07 0.10 0.49 0.74 -0.87 0.00 0.00 176.83 177.36 1n1f h THR 44 N 0.51 0.69 -0.01 2.95 2.02 -1.85 -0.80 112.91 116.41 1n1f h THR 44 Ca 0.53 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1n1f h THR 44 Cb 0.93 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1n1f h THR 44 CO -0.46 0.02 0.00 0.18 0.37 0.00 0.00 175.52 175.63 1n1f n LEU 45 N -4.37 0.32 -0.87 2.58 4.77 0.12 -2.36 117.00 117.19 1n1f n LEU 45 Ca 0.14 -0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1n1f n LEU 45 Cb 0.70 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.96 1n1f n LEU 45 CO 0.36 0.06 0.63 -0.62 -1.33 0.00 0.00 177.39 176.49 1n1f n GLU 46 N -0.69 2.23 -4.77 3.23 1.02 -0.30 -4.88 120.64 116.47 1n1f n GLU 46 Ca 0.20 -2.02 -0.33 0.00 -0.02 0.00 0.00 57.16 54.99 1n1f n GLU 46 Cb 0.15 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 1n1f n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1n1f s THR 47 N -1.19 1.06 -0.42 2.62 -4.23 -0.99 -5.02 115.64 107.47 1n1f s THR 47 Ca 0.30 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1n1f s THR 47 Cb 0.17 -2.08 0.49 0.00 1.34 0.00 0.00 72.50 72.42 1n1f s THR 47 CO 0.23 0.00 1.58 0.18 -0.54 0.00 0.00 174.62 176.08 1n1f n LEU 48 N -1.28 5.67 0.11 4.79 4.77 -1.26 -4.63 117.00 125.16 1n1f n LEU 48 Ca -0.20 -4.24 -0.02 0.00 -0.03 0.00 0.00 56.01 51.51 1n1f n LEU 48 Cb 0.67 -0.66 0.20 0.00 -2.33 0.00 0.00 43.42 41.30 1n1f n LEU 48 CO 0.37 1.59 0.58 1.56 -1.33 0.00 0.00 177.39 180.16 1n1f h GLN 49 N 1.68 0.18 -4.56 3.23 4.20 -1.96 -3.40 115.11 114.48 1n1f h GLN 49 Ca 0.42 -0.10 -0.68 0.00 0.06 0.00 0.00 58.65 58.35 1n1f h GLN 49 Cb 1.46 0.01 -0.37 0.00 0.30 0.00 0.00 27.48 28.87 1n1f h GLN 49 CO 0.93 0.64 -0.63 0.42 -0.67 0.00 0.00 178.83 179.51 1n1f s ILE 50 N -3.94 2.78 0.00 2.54 -1.09 -1.26 -4.84 121.20 115.39 1n1f s ILE 50 Ca -0.04 -2.23 0.00 0.00 -2.23 0.00 0.00 60.65 56.15 1n1f s ILE 50 Cb 0.13 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1n1f s ILE 50 CO 0.77 -0.65 0.00 2.30 -1.23 0.00 0.00 174.94 176.13 1n1f n ILE 51 N 4.39 0.00 -2.58 2.92 -5.35 -1.26 -4.82 119.36 112.65 1n1f n ILE 51 Ca 0.01 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.10 1n1f n ILE 51 Cb 0.41 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.27 1n1f n ILE 51 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1n1f s LYS 52 N -0.38 4.59 0.16 6.28 1.02 -1.26 -4.82 119.74 125.33 1n1f s LYS 52 Ca 0.00 1.62 -0.23 0.00 0.02 0.00 0.00 55.97 57.38 1n1f s LYS 52 Cb 0.00 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1n1f s LYS 52 CO 0.00 0.22 1.36 -2.30 -0.92 0.00 0.00 175.35 173.72 1n1f n PRO 53 N 0.94 -0.33 -0.16 -1.68 -0.02 -1.26 -0.41 135.00 132.09 1n1f n PRO 53 Ca 0.00 1.34 -0.04 0.00 -2.02 0.00 0.00 63.50 62.79 1n1f n PRO 53 Cb 0.47 -1.98 0.16 0.00 -0.02 0.00 0.00 33.50 32.13 1n1f n PRO 53 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1n1f h LEU 54 N 0.00 0.84 -0.43 2.45 5.85 -1.92 -1.13 115.31 120.97 1n1f h LEU 54 Ca 0.20 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 1n1f h LEU 54 Cb 0.42 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1n1f h LEU 54 CO -0.85 0.81 -0.63 0.44 -0.34 0.00 0.00 178.44 177.88 1n1f h ASP 55 N 0.87 0.64 -0.74 1.25 3.32 -1.27 -2.70 116.42 117.79 1n1f h ASP 55 Ca 0.19 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1n1f h ASP 55 Cb 0.29 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1n1f h ASP 55 CO -0.00 1.10 0.29 0.58 -1.72 0.00 0.00 179.24 179.49 1n1f h VAL 56 N 0.41 1.25 -0.45 -1.35 2.07 -0.33 -0.90 116.25 116.95 1n1f h VAL 56 Ca -0.01 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1n1f h VAL 56 Cb 1.19 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1n1f h VAL 56 CO 0.12 0.33 0.04 0.00 0.02 0.00 0.00 177.57 178.08 1n1f h VAL 59 N 0.56 1.36 -0.01 0.00 2.07 -1.08 -0.50 116.25 118.66 1n1f h VAL 59 Ca 0.15 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 1n1f h VAL 59 Cb 0.11 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1n1f h VAL 59 CO -0.02 0.57 0.00 0.74 0.02 0.00 0.00 177.57 178.88 1n1f h THR 60 N 0.24 1.11 -0.10 2.57 2.02 -1.08 0.34 112.91 118.01 1n1f h THR 60 Ca -0.00 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 1n1f h THR 60 Cb 1.08 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1n1f h THR 60 CO 0.09 0.09 -0.27 0.07 0.37 0.00 0.00 175.52 175.87 1n1f h LYS 61 N -0.13 0.17 -0.16 6.66 2.10 -1.29 0.01 116.57 123.94 1n1f h LYS 61 Ca 0.00 -0.06 -0.16 0.00 -2.00 0.00 0.00 60.65 58.44 1n1f h LYS 61 Cb 0.14 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1n1f h LYS 61 CO -0.00 0.44 -0.57 -0.91 -2.00 0.00 0.00 179.45 176.40 1n1f h ASN 62 N 0.16 0.55 0.50 7.07 2.35 -0.56 -2.35 115.58 123.30 1n1f h ASN 62 Ca 0.02 -0.30 -0.17 0.00 -0.55 0.00 0.00 56.30 55.31 1n1f h ASN 62 Cb 0.56 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1n1f h ASN 62 CO 0.04 1.00 -0.73 -0.07 -1.65 0.00 0.00 177.43 176.02 1n1f h LEU 63 N 0.37 0.23 -0.85 1.61 3.38 0.25 0.12 115.31 120.42 1n1f h LEU 63 Ca 0.00 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1n1f h LEU 63 Cb 1.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1n1f h LEU 63 CO 0.10 0.89 0.03 -0.07 0.09 0.00 0.00 178.44 179.48 1n1f h LEU 64 N 0.13 0.85 -0.33 1.67 4.07 -0.87 -1.36 115.31 119.46 1n1f h LEU 64 Ca -0.02 -0.20 -0.20 0.00 0.08 0.00 0.00 57.88 57.54 1n1f h LEU 64 Cb 1.30 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 1n1f h LEU 64 CO 0.11 0.89 -0.75 0.00 -1.08 0.00 0.00 178.44 177.61 1n1f h ALA 65 N 1.20 0.51 -0.68 1.53 0.00 -0.98 0.78 119.26 121.62 1n1f h ALA 65 Ca 0.16 -0.61 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1n1f h ALA 65 Cb 0.45 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1n1f h ALA 65 CO 0.02 0.74 0.28 0.35 0.00 0.00 0.00 179.25 180.64 1n1f h PHE 66 N 0.34 0.49 -0.04 0.00 3.57 -0.24 0.82 116.94 121.88 1n1f h PHE 66 Ca -0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1n1f h PHE 66 Cb 1.34 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.98 1n1f h PHE 66 CO 0.06 0.12 -0.45 1.88 -2.23 0.00 0.00 178.31 177.69 1n1f h TYR 67 N 0.47 0.53 -0.28 0.41 -1.99 -0.80 -0.82 116.97 114.49 1n1f h TYR 67 Ca 0.35 -0.26 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 1n1f h TYR 67 Cb 0.44 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1n1f h TYR 67 CO -0.15 1.04 -0.13 0.28 -0.00 0.00 0.00 178.16 179.20 1n1f h VAL 68 N -0.13 1.29 0.00 -2.88 2.07 -0.64 0.13 116.25 116.10 1n1f h VAL 68 Ca -0.04 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1n1f h VAL 68 Cb 1.13 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1n1f h VAL 68 CO 0.09 0.38 -0.86 0.44 0.02 0.00 0.00 177.57 177.65 1n1f h ASP 69 N 0.33 0.00 0.00 0.57 3.32 -0.95 -3.38 116.42 116.30 1n1f h ASP 69 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1n1f h ASP 69 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1n1f h ASP 69 CO 0.04 0.06 -0.02 0.54 -1.72 0.00 0.00 179.24 178.14 1n1f n ARG 70 N -2.40 0.01 0.17 3.56 1.74 -0.37 -4.66 116.66 114.70 1n1f n ARG 70 Ca 0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 1n1f n ARG 70 Cb 0.50 -0.23 -0.07 0.00 -1.02 0.00 0.00 32.46 31.64 1n1f n ARG 70 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1n1f h VAL 71 N -0.02 0.26 0.00 1.55 2.07 -1.14 -0.41 116.25 118.57 1n1f h VAL 71 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1n1f h VAL 71 Cb 0.02 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1n1f h VAL 71 CO 0.00 0.00 -0.04 -0.26 0.02 0.00 0.00 177.57 177.29 1n1f h PHE 72 N -0.66 0.00 0.10 1.57 0.04 -0.95 -1.72 116.94 115.32 1n1f h PHE 72 Ca 0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 1n1f h PHE 72 Cb 0.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 1n1f h PHE 72 CO -0.26 0.04 -1.31 0.87 -0.60 0.00 0.00 178.31 177.04 1n1f h LYS 73 N 0.00 0.20 0.00 1.51 1.57 -1.58 -3.36 116.57 114.91 1n1f h LYS 73 Ca -0.00 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1n1f h LYS 73 Cb 0.17 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1n1f h LYS 73 CO 0.00 1.11 -0.75 -0.44 -0.57 0.00 0.00 179.45 178.81 1n1f h ASP 74 N 0.06 0.00 -3.37 0.86 3.45 -0.35 -3.45 116.42 113.62 1n1f h ASP 74 Ca -0.15 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.73 1n1f h ASP 74 Cb 1.95 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 40.64 1n1f h ASP 74 CO 0.17 0.40 0.13 -2.28 -1.57 0.00 0.00 179.24 176.10 1n1f s HIS 75 N -3.03 3.45 -0.21 4.55 2.46 -0.72 -4.68 115.29 117.11 1n1f s HIS 75 Ca 0.02 1.07 -0.07 0.00 0.47 0.00 0.00 55.06 56.55 1n1f s HIS 75 Cb 0.08 -2.82 -0.04 0.00 -0.13 0.00 0.00 32.58 29.68 1n1f s HIS 75 CO 0.76 -0.08 0.06 -1.14 -2.47 0.00 0.00 174.74 171.87 1n1f s GLN 76 N 1.54 3.82 -0.30 2.88 0.74 -1.26 -4.97 119.66 122.11 1n1f s GLN 76 Ca 0.32 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1n1f s GLN 76 Cb -0.16 -3.26 0.07 0.00 1.10 0.00 0.00 33.01 30.76 1n1f s GLN 76 CO 0.13 0.06 -0.01 -2.00 -0.55 0.00 0.00 175.29 172.92 1n1f s GLU 77 N 0.95 2.14 0.45 1.67 2.56 -1.26 -4.95 118.70 120.26 1n1f s GLU 77 Ca 0.04 -1.47 0.25 0.00 0.00 0.00 0.00 54.97 53.79 1n1f s GLU 77 Cb -0.14 -3.11 0.81 0.00 2.00 0.00 0.00 34.13 33.69 1n1f s GLU 77 CO 0.03 -0.71 1.78 -1.00 -0.56 0.00 0.00 175.26 174.80 1n1f h PRO 78 N 7.84 0.00 -5.96 4.30 0.13 -2.02 -3.42 132.00 132.87 1n1f h PRO 78 Ca -0.16 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.37 1n1f h PRO 78 Cb 1.04 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.07 1n1f h PRO 78 CO 0.52 0.16 0.51 1.21 -0.23 0.00 0.00 178.00 180.17 1n1f s ASN 79 N -6.10 6.62 0.41 1.44 3.84 -1.26 -4.91 114.94 114.97 1n1f s ASN 79 Ca 0.02 0.48 0.08 0.00 0.21 0.00 0.00 52.86 53.65 1n1f s ASN 79 Cb 0.09 -2.44 0.85 0.00 -0.55 0.00 0.00 41.25 39.20 1n1f s ASN 79 CO 0.63 -0.81 2.03 1.55 -2.79 0.00 0.00 177.10 177.71 1n1f h PRO 80 N 8.48 0.46 -0.37 0.43 0.13 -1.99 0.49 132.00 139.63 1n1f h PRO 80 Ca -0.24 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1n1f h PRO 80 Cb 1.08 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1n1f h PRO 80 CO 0.95 0.35 -0.33 -0.22 -0.23 0.00 0.00 178.00 178.53 1n1f h LYS 81 N 0.47 0.84 -0.31 0.86 1.63 -1.97 -0.35 116.57 117.73 1n1f h LYS 81 Ca 0.12 -0.40 -0.13 0.00 -0.85 0.00 0.00 60.65 59.39 1n1f h LYS 81 Cb 0.04 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1n1f h LYS 81 CO -0.02 1.04 -0.33 0.82 -3.45 0.00 0.00 179.45 177.51 1n1f h ILE 82 N 0.70 1.28 -0.20 2.00 2.04 -1.79 -2.99 117.51 118.55 1n1f h ILE 82 Ca 0.07 -1.48 -0.10 0.00 1.00 0.00 0.00 64.86 64.35 1n1f h ILE 82 Cb 0.89 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1n1f h ILE 82 CO 0.08 0.48 -0.31 0.25 0.00 0.00 0.00 178.15 178.65 1n1f h LEU 83 N 0.58 0.40 -0.84 1.44 5.85 -0.57 -1.62 115.31 120.56 1n1f h LEU 83 Ca 0.06 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1n1f h LEU 83 Cb 0.85 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1n1f h LEU 83 CO 0.07 0.70 0.28 -0.09 -0.34 0.00 0.00 178.44 179.07 1n1f h ARG 84 N 0.34 1.14 -0.28 1.25 2.43 -0.93 0.11 114.38 118.44 1n1f h ARG 84 Ca 0.04 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 1n1f h ARG 84 Cb 0.72 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1n1f h ARG 84 CO 0.06 0.94 -0.26 0.87 -1.51 0.00 0.00 179.97 180.07 1n1f h LYS 85 N 1.11 0.67 -0.14 0.20 1.79 -1.25 -2.10 116.57 116.85 1n1f h LYS 85 Ca 0.25 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 1n1f h LYS 85 Cb 0.24 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1n1f h LYS 85 CO -0.02 0.95 -0.09 0.82 -1.08 0.00 0.00 179.45 180.04 1n1f h ILE 86 N 0.41 1.14 -0.41 1.86 2.04 -1.07 -1.96 117.51 119.53 1n1f h ILE 86 Ca 0.05 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 1n1f h ILE 86 Cb 0.82 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1n1f h ILE 86 CO 0.06 0.19 -0.21 0.28 0.00 0.00 0.00 178.15 178.48 1n1f h SER 87 N 0.20 0.81 -0.73 1.72 0.02 -0.29 -0.62 113.55 114.66 1n1f h SER 87 Ca 0.04 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1n1f h SER 87 Cb 0.28 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1n1f h SER 87 CO 0.01 1.00 0.20 -1.28 -1.14 0.00 0.00 176.83 175.63 1n1f h SER 88 N 0.70 1.08 -0.33 3.07 0.87 -0.86 0.24 113.55 118.33 1n1f h SER 88 Ca 0.10 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 1n1f h SER 88 Cb 0.73 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1n1f h SER 88 CO 0.06 1.02 -0.12 0.40 -0.53 0.00 0.00 176.83 177.66 1n1f h ILE 89 N 1.09 1.26 -0.51 2.23 2.04 -1.07 -1.60 117.51 120.95 1n1f h ILE 89 Ca 0.23 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.79 1n1f h ILE 89 Cb 0.35 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1n1f h ILE 89 CO -0.00 0.40 -0.18 0.00 0.00 0.00 0.00 178.15 178.37 1n1f h ALA 90 N 1.18 0.72 -0.51 1.87 0.00 -0.47 -1.60 119.26 120.45 1n1f h ALA 90 Ca 0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1n1f h ALA 90 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1n1f h ALA 90 CO 0.04 0.68 0.17 -0.97 0.00 0.00 0.00 179.25 179.17 1n1f h ASN 91 N 0.88 0.74 -0.75 0.00 -0.73 -0.32 -1.38 115.58 114.02 1n1f h ASN 91 Ca 0.12 -0.20 0.05 0.00 1.87 0.00 0.00 56.30 58.15 1n1f h ASN 91 Cb 0.76 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 39.11 1n1f h ASN 91 CO 0.06 0.74 0.49 0.28 -0.37 0.00 0.00 177.43 178.63 1n1f h SER 92 N 0.70 0.74 -0.19 1.15 0.02 -0.85 -1.65 113.55 113.47 1n1f h SER 92 Ca 0.17 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.93 1n1f h SER 92 Cb 0.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1n1f h SER 92 CO -0.01 0.49 -0.59 -0.26 -1.14 0.00 0.00 176.83 175.32 1n1f h PHE 93 N 0.85 1.01 -0.80 3.45 0.05 -0.94 0.31 116.94 120.88 1n1f h PHE 93 Ca 0.31 -0.38 -0.02 0.00 3.82 0.00 0.00 57.97 61.70 1n1f h PHE 93 Cb 0.17 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 37.89 1n1f h PHE 93 CO -0.00 1.19 0.41 -0.07 -0.18 0.00 0.00 178.31 179.66 1n1f h LEU 94 N 0.60 1.01 -0.22 1.54 3.38 -0.63 0.69 115.31 121.67 1n1f h LEU 94 Ca 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1n1f h LEU 94 Cb 1.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1n1f h LEU 94 CO 0.13 0.83 -0.03 0.22 0.09 0.00 0.00 178.44 179.68 1n1f h TYR 95 N 1.12 0.46 -0.93 1.13 3.20 -0.98 -0.53 116.97 120.44 1n1f h TYR 95 Ca 0.28 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1n1f h TYR 95 Cb 0.06 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 1n1f h TYR 95 CO 0.01 0.62 0.61 0.52 -1.64 0.00 0.00 178.16 178.28 1n1f h MET 96 N 0.16 1.09 -0.24 1.82 2.86 -0.52 0.49 114.93 120.58 1n1f h MET 96 Ca 0.06 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1n1f h MET 96 Cb 0.46 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1n1f h MET 96 CO 0.02 0.72 -0.31 1.96 1.06 0.00 0.00 176.91 180.35 1n1f h GLN 97 N 1.12 0.50 -0.26 1.72 4.20 -0.32 -1.15 115.11 120.92 1n1f h GLN 97 Ca 0.39 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1n1f h GLN 97 Cb 0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1n1f h GLN 97 CO -0.13 0.76 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.55 1n1f h LYS 98 N 0.43 0.46 -0.64 1.46 3.64 0.52 -1.08 116.57 121.36 1n1f h LYS 98 Ca 0.05 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1n1f h LYS 98 Cb 0.76 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1n1f h LYS 98 CO 0.06 0.64 0.41 1.15 -2.27 0.00 0.00 179.45 179.43 1n1f h THR 99 N 0.24 1.12 -0.74 1.00 2.02 0.10 -1.98 112.91 114.67 1n1f h THR 99 Ca 0.07 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1n1f h THR 99 Cb 0.43 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1n1f h THR 99 CO 0.01 0.15 0.28 -0.07 0.37 0.00 0.00 175.52 176.26 1n1f h LEU 100 N 0.82 1.03 0.43 2.58 3.38 -1.01 -1.82 115.31 120.71 1n1f h LEU 100 Ca 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1n1f h LEU 100 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1n1f h LEU 100 CO -0.08 0.92 -0.33 0.03 0.09 0.00 0.00 178.44 179.07 1n1f h ARG 101 N 1.08 -0.71 -0.84 1.13 3.08 -0.48 -2.03 114.38 115.61 1n1f h ARG 101 Ca 0.25 0.05 0.33 0.00 0.07 0.00 0.00 59.98 60.67 1n1f h ARG 101 Cb 0.23 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 30.29 1n1f h ARG 101 CO -0.02 -0.47 0.36 1.04 -1.07 0.00 0.00 179.97 179.80 1n1f n GLN 102 N -4.43 -0.05 0.00 0.04 6.02 -0.90 -3.27 117.38 114.79 1n1f n GLN 102 Ca -0.09 1.19 0.00 0.00 -0.01 0.00 0.00 57.00 58.09 1n1f n GLN 102 Cb 0.32 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.51 1n1f n GLN 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n1f n GLN 104 N 0.00 0.00 0.00 0.00 0.00 -1.10 -5.09 117.38 111.19 1n1f n GLN 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1n1f n GLN 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1n1f n GLN 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1n1f n GLN 108 N 0.00 0.00 -2.77 2.61 10.64 -1.26 -5.07 117.38 121.53 1n1f n GLN 108 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 1n1f n GLN 108 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 1n1f n GLN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1n1f s HIS 110 N -3.13 2.78 -0.48 0.00 2.46 -1.26 -4.31 115.29 111.35 1n1f s HIS 110 Ca 0.18 1.54 -0.16 0.00 0.47 0.00 0.00 55.06 57.09 1n1f s HIS 110 Cb -0.08 -3.12 0.08 0.00 -0.13 0.00 0.00 32.58 29.33 1n1f s HIS 110 CO 0.22 -1.42 0.43 0.00 -2.47 0.00 0.00 174.74 171.50 1n1f s ARG 112 N 1.72 2.72 0.43 0.00 0.52 -1.26 -4.73 118.95 118.34 1n1f s ARG 112 Ca 0.05 1.41 0.20 0.00 -0.52 0.00 0.00 55.73 56.87 1n1f s ARG 112 Cb -0.25 -1.94 1.15 0.00 0.52 0.00 0.00 34.95 34.43 1n1f s ARG 112 CO 0.07 -1.32 1.82 0.37 0.02 0.00 0.00 175.30 176.26 1n1f h GLN 113 N -0.04 0.34 -0.45 3.54 5.75 -1.99 -0.85 115.11 121.41 1n1f h GLN 113 Ca -0.47 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 57.91 1n1f h GLN 113 Cb 1.25 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1n1f h GLN 113 CO 0.54 0.22 -0.12 1.49 -2.65 0.00 0.00 178.83 178.31 1n1f h GLU 114 N 0.35 0.84 -0.21 1.69 4.57 -1.99 -0.42 114.58 119.40 1n1f h GLU 114 Ca 0.52 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1n1f h GLU 114 Cb 1.42 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1n1f h GLU 114 CO -0.20 0.91 -0.20 0.00 -1.18 0.00 0.00 179.01 178.34 1n1f h ALA 115 N 1.11 0.30 -0.85 2.92 0.00 -1.60 -1.39 119.26 119.75 1n1f h ALA 115 Ca 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1n1f h ALA 115 Cb 0.62 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1n1f h ALA 115 CO 0.04 0.24 0.56 1.15 0.00 0.00 0.00 179.25 181.24 1n1f h THR 116 N 0.18 1.21 -0.48 0.00 2.02 -1.02 -1.70 112.91 113.13 1n1f h THR 116 Ca 0.03 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1n1f h THR 116 Cb 0.74 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1n1f h THR 116 CO 0.05 0.21 -0.22 0.78 0.37 0.00 0.00 175.52 176.71 1n1f h ASN 117 N 1.15 1.02 -0.74 4.18 2.35 -0.96 -0.61 115.58 121.97 1n1f h ASN 117 Ca 0.31 -0.40 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1n1f h ASN 117 Cb -0.13 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 37.92 1n1f h ASN 117 CO -0.07 1.19 0.49 0.00 -1.65 0.00 0.00 177.43 177.39 1n1f h ALA 118 N 0.86 1.59 -0.20 -0.83 0.00 -0.89 -0.47 119.26 119.33 1n1f h ALA 118 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1n1f h ALA 118 Cb 0.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n1f h ALA 118 CO 0.07 0.32 -0.34 1.15 0.00 0.00 0.00 179.25 180.45 1n1f h THR 119 N 0.87 1.33 0.00 0.00 2.02 -0.99 -3.15 112.91 112.99 1n1f h THR 119 Ca 0.30 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 1n1f h THR 119 Cb 0.10 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1n1f h THR 119 CO -0.09 0.48 -0.23 0.03 0.37 0.00 0.00 175.52 176.08 1n1f h ARG 120 N 0.27 0.00 -0.78 6.66 3.08 0.24 -2.14 114.38 121.71 1n1f h ARG 120 Ca 0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1n1f h ARG 120 Cb 0.93 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 1n1f h ARG 120 CO 0.08 0.23 0.47 0.28 -1.07 0.00 0.00 179.97 179.95 1n1f h VAL 121 N 0.00 1.01 -0.33 2.04 2.07 -1.10 0.34 116.25 120.29 1n1f h VAL 121 Ca -0.00 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1n1f h VAL 121 Cb 0.42 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1n1f h VAL 121 CO 0.03 0.16 0.08 0.40 0.02 0.00 0.00 177.57 178.26 1n1f h ILE 122 N 0.85 1.22 -0.40 4.57 2.04 -1.44 0.31 117.51 124.66 1n1f h ILE 122 Ca 0.34 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1n1f h ILE 122 Cb 0.17 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1n1f h ILE 122 CO -0.17 0.25 0.03 0.45 0.00 0.00 0.00 178.15 178.70 1n1f h HIS 123 N 0.37 0.65 -0.54 1.37 3.86 -1.11 0.28 115.15 120.03 1n1f h HIS 123 Ca 0.10 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 1n1f h HIS 123 Cb 0.29 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1n1f h HIS 123 CO 0.01 0.61 -0.12 -0.44 0.86 0.00 0.00 177.93 178.86 1n1f h ASP 124 N 0.60 1.03 -0.47 2.45 3.45 0.19 0.74 116.42 124.41 1n1f h ASP 124 Ca 0.13 -0.35 -0.10 0.00 0.43 0.00 0.00 57.03 57.13 1n1f h ASP 124 Cb 0.34 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 1n1f h ASP 124 CO 0.01 1.15 -0.09 0.78 -1.57 0.00 0.00 179.24 179.51 1n1f h ASN 125 N 0.91 0.93 -0.47 6.45 2.35 0.60 -2.87 115.58 123.48 1n1f h ASN 125 Ca 0.14 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1n1f h ASN 125 Cb 0.69 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1n1f h ASN 125 CO 0.05 1.04 0.31 0.22 -1.65 0.00 0.00 177.43 177.40 1n1f h TYR 126 N 0.84 0.59 0.00 1.19 5.03 -0.60 -1.89 116.97 122.13 1n1f h TYR 126 Ca 0.14 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1n1f h TYR 126 Cb 0.63 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1n1f h TYR 126 CO 0.04 0.37 0.00 -0.25 -1.32 0.00 0.00 178.16 177.00 1n1f n ASP 127 N -4.76 0.00 0.10 -2.11 8.00 0.22 -2.18 116.55 115.81 1n1f n ASP 127 Ca 0.02 -0.10 -0.04 0.00 0.71 0.00 0.00 54.79 55.38 1n1f n ASP 127 Cb 0.02 -0.22 0.11 0.00 -0.02 0.00 0.00 41.12 41.01 1n1f n ASP 127 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1n1f h GLN 128 N 0.00 0.12 -6.24 -1.24 5.75 -1.14 -3.46 115.11 108.90 1n1f h GLN 128 Ca 0.00 -0.10 -0.45 0.00 -0.15 0.00 0.00 58.65 57.95 1n1f h GLN 128 Cb 0.13 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1n1f h GLN 128 CO 0.00 0.74 -0.40 -0.51 -2.65 0.00 0.00 178.83 176.01 1n1f s LEU 129 N -7.67 4.14 0.46 -2.39 2.01 -0.93 -5.06 118.68 109.24 1n1f s LEU 129 Ca -0.02 -0.06 -0.24 0.00 0.01 0.00 0.00 54.13 53.82 1n1f s LEU 129 Cb 0.12 -2.78 -0.09 0.00 0.01 0.00 0.00 46.19 43.45 1n1f s LEU 129 CO 0.79 -0.22 1.19 1.21 1.01 0.00 0.00 176.35 180.33 1n1f n GLU 130 N -1.49 1.66 -0.18 1.70 0.00 -1.26 -4.68 120.64 116.39 1n1f n GLU 130 Ca -0.05 0.60 -0.04 0.00 0.00 0.00 0.00 57.16 57.67 1n1f n GLU 130 Cb 0.58 -2.31 0.06 0.00 0.00 0.00 0.00 31.44 29.76 1n1f n GLU 130 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1n1f h VAL 131 N 1.71 0.95 -0.38 6.31 3.04 -1.96 0.24 116.25 126.16 1n1f h VAL 131 Ca -0.48 -0.18 -0.10 0.00 -1.01 0.00 0.00 66.70 64.94 1n1f h VAL 131 Cb 1.31 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 1n1f h VAL 131 CO 0.58 0.10 -0.16 0.45 -1.01 0.00 0.00 177.57 177.52 1n1f h HIS 132 N 0.52 0.78 -0.11 3.17 3.86 -1.90 -0.26 115.15 121.23 1n1f h HIS 132 Ca 0.24 -0.15 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 1n1f h HIS 132 Cb 0.15 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1n1f h HIS 132 CO -0.10 0.82 -0.52 0.00 0.86 0.00 0.00 177.93 178.99 1n1f h ALA 133 N 1.19 0.91 -0.52 2.45 0.00 -1.77 -1.10 119.26 120.42 1n1f h ALA 133 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1n1f h ALA 133 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1n1f h ALA 133 CO 0.04 0.68 -0.16 0.00 0.00 0.00 0.00 179.25 179.81 1n1f h ALA 134 N 1.22 0.73 -0.15 0.00 0.00 -0.13 -1.18 119.26 119.74 1n1f h ALA 134 Ca 0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1n1f h ALA 134 Cb 1.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n1f h ALA 134 CO 0.08 0.68 -0.15 0.00 0.00 0.00 0.00 179.25 179.86 1n1f h ALA 135 N 0.91 0.23 -0.09 0.00 0.00 -0.86 0.45 119.26 119.89 1n1f h ALA 135 Ca 0.13 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1n1f h ALA 135 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1n1f h ALA 135 CO 0.06 0.11 -0.36 0.97 0.00 0.00 0.00 179.25 180.03 1n1f h ILE 136 N 0.01 1.29 -0.33 0.00 2.10 -1.19 -0.60 117.51 118.80 1n1f h ILE 136 Ca 0.02 -1.38 -0.17 0.00 1.08 0.00 0.00 64.86 64.42 1n1f h ILE 136 Cb 0.68 1.62 -0.00 0.00 -1.09 0.00 0.00 36.82 38.03 1n1f h ILE 136 CO 0.04 0.41 -0.46 0.50 -1.08 0.00 0.00 178.15 177.56 1n1f h LYS 137 N 0.17 0.89 -0.77 2.19 3.64 -1.08 0.44 116.57 122.05 1n1f h LYS 137 Ca 0.02 -0.52 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1n1f h LYS 137 Cb 0.72 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1n1f h LYS 137 CO 0.05 1.16 0.31 0.77 -2.27 0.00 0.00 179.45 179.47 1n1f h SER 138 N 0.69 1.05 -0.88 4.20 0.02 -0.52 -0.49 113.55 117.61 1n1f h SER 138 Ca 0.04 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1n1f h SER 138 Cb 1.06 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 1n1f h SER 138 CO 0.11 0.93 0.58 0.25 -1.14 0.00 0.00 176.83 177.56 1n1f h LEU 139 N 1.12 0.98 -1.62 5.07 5.85 -0.80 -0.38 115.31 125.52 1n1f h LEU 139 Ca 0.26 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1n1f h LEU 139 Cb 0.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1n1f h LEU 139 CO -0.02 0.68 -0.06 1.23 -0.34 0.00 0.00 178.44 179.93 1n1f h GLY 140 N 1.14 0.00 -1.04 3.75 0.00 0.62 -2.58 103.07 104.96 1n1f h GLY 140 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1n1f h GLY 140 CO -0.10 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.62 1n1f n GLU 141 N -3.21 1.79 -0.27 4.80 1.02 -0.17 -4.18 120.64 120.41 1n1f n GLU 141 Ca -0.00 -1.20 0.32 0.00 -0.02 0.00 0.00 57.16 56.26 1n1f n GLU 141 Cb 0.30 -1.36 0.72 0.00 -0.02 0.00 0.00 31.44 31.08 1n1f n GLU 141 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1n1f h LEU 142 N 2.23 0.05 -0.99 -4.62 3.38 -1.27 0.30 115.31 114.39 1n1f h LEU 142 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1n1f h LEU 142 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1n1f h LEU 142 CO 0.00 0.01 -0.19 -2.24 0.09 0.00 0.00 178.44 176.11 1n1f h ASP 143 N 0.04 0.50 -0.53 -0.43 -0.00 -1.86 0.25 116.42 114.40 1n1f h ASP 143 Ca 0.52 -0.15 -0.11 0.00 -0.00 0.00 0.00 57.03 57.29 1n1f h ASP 143 Cb 2.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 41.18 1n1f h ASP 143 CO -0.04 0.71 -0.09 0.58 -0.00 0.00 0.00 179.24 180.40 1n1f h VAL 144 N 0.46 1.27 -0.14 4.15 2.07 -0.75 -1.06 116.25 122.25 1n1f h VAL 144 Ca 0.07 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1n1f h VAL 144 Cb 0.60 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1n1f h VAL 144 CO 0.04 0.43 0.03 0.15 0.02 0.00 0.00 177.57 178.24 1n1f h PHE 145 N 0.86 0.23 -0.61 1.57 3.04 -0.84 -2.25 116.94 118.95 1n1f h PHE 145 Ca 0.14 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 1n1f h PHE 145 Cb 0.65 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 1n1f h PHE 145 CO 0.05 0.39 0.19 -0.07 -2.02 0.00 0.00 178.31 176.84 1n1f h LEU 146 N 0.01 0.85 -0.91 0.59 3.38 -0.32 -0.89 115.31 118.02 1n1f h LEU 146 Ca 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1n1f h LEU 146 Cb 0.28 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1n1f h LEU 146 CO 0.00 0.80 0.41 0.00 0.09 0.00 0.00 178.44 179.75 1n1f h ALA 147 N 1.31 1.15 -0.30 1.53 0.00 -1.18 0.22 119.26 121.99 1n1f h ALA 147 Ca 0.20 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1n1f h ALA 147 Cb 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n1f h ALA 147 CO -0.01 0.65 -0.49 2.35 0.00 0.00 0.00 179.25 181.75 1n1f h TRP 148 N 1.19 1.03 -0.38 0.00 7.01 -0.72 -1.72 115.95 122.36 1n1f h TRP 148 Ca 0.29 -0.34 -0.04 0.00 2.11 0.00 0.00 58.89 60.90 1n1f h TRP 148 Cb 0.10 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1n1f h TRP 148 CO 0.01 1.15 0.06 0.82 -2.79 0.00 0.00 178.44 177.70 1n1f h ILE 149 N 0.66 1.24 -0.78 2.65 1.08 -0.90 -1.78 117.51 119.68 1n1f h ILE 149 Ca 0.03 -0.85 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 1n1f h ILE 149 Cb 1.08 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 1n1f h ILE 149 CO 0.11 0.29 0.48 0.78 -0.69 0.00 0.00 178.15 179.11 1n1f h ASN 150 N 0.47 0.75 0.73 1.72 2.35 -0.33 -0.92 115.58 120.35 1n1f h ASN 150 Ca 0.11 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1n1f h ASN 150 Cb 0.36 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1n1f h ASN 150 CO 0.01 0.50 -0.62 0.11 -1.65 0.00 0.00 177.43 175.77 1n1f h LYS 151 N 0.89 0.00 -0.34 0.81 1.57 -1.16 -3.31 116.57 115.02 1n1f h LYS 151 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1n1f h LYS 151 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1n1f h LYS 151 CO -0.15 0.62 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 1n1f n ASN 152 N -3.68 3.09 -3.95 0.86 4.13 -0.68 -5.00 115.26 110.04 1n1f n ASN 152 Ca -0.01 -1.90 -0.09 0.00 1.68 0.00 0.00 54.58 54.26 1n1f n ASN 152 Cb 0.64 -0.22 -0.10 0.00 -1.54 0.00 0.00 39.78 38.56 1n1f n ASN 152 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1n1f s HIS 153 N -1.20 0.21 -0.38 3.10 3.76 -0.40 -4.76 115.29 115.62 1n1f s HIS 153 Ca 0.31 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 1n1f s HIS 153 Cb 0.18 -0.16 0.02 0.00 1.11 0.00 0.00 32.58 33.73 1n1f s HIS 153 CO 0.24 -0.29 1.05 -1.21 -0.85 0.00 0.00 174.74 173.69 1n1f s GLU 154 N -2.06 3.90 0.07 1.40 0.41 0.40 -4.77 118.70 118.03 1n1f s GLU 154 Ca -0.10 0.78 0.05 0.00 -0.41 0.00 0.00 54.97 55.29 1n1f s GLU 154 Cb -0.05 -3.81 -0.03 0.00 -1.78 0.00 0.00 34.13 28.46 1n1f s GLU 154 CO -0.02 -1.07 -0.13 0.14 -0.49 0.00 0.00 175.26 173.69 1n1f s VAL 155 N 3.85 1.03 0.27 2.63 -7.23 -1.26 -3.02 120.40 116.68 1n1f s VAL 155 Ca 0.44 -1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 59.21 1n1f s VAL 155 Cb -0.11 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.74 1n1f s VAL 155 CO 0.21 -0.25 0.64 -0.32 -0.31 0.00 0.00 175.10 175.07 1n1f s MET 156 N -1.74 3.91 -0.04 4.82 1.75 -1.11 -4.95 119.30 121.94 1n1f s MET 156 Ca -0.03 0.47 -0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1n1f s MET 156 Cb -0.10 -2.56 0.03 0.00 2.84 0.00 0.00 34.83 35.04 1n1f s MET 156 CO 0.02 0.25 0.02 0.45 -0.65 0.00 0.00 175.02 175.11 1n1f s SER 157 N -2.29 0.71 -0.04 1.11 0.15 -1.26 -1.02 113.70 111.06 1n1f s SER 157 Ca 0.50 -0.00 0.17 0.00 0.70 0.00 0.00 55.95 57.32 1n1f s SER 157 Cb -0.11 -0.21 0.54 0.00 -1.71 0.00 0.00 66.02 64.53 1n1f s SER 157 CO 0.19 -0.15 1.44 -1.54 1.20 0.00 0.00 173.24 174.38 1n1f n SER 158 N 4.56 3.45 0.00 5.45 3.41 -1.26 -4.98 113.62 124.24 1n1f n SER 158 Ca -0.18 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1n1f n SER 158 Cb 0.50 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1n1f n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88