#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux s ASP 2 N 0.00 6.67 -0.06 0.00 1.11 -1.26 -5.04 116.67 118.09 1mux s ASP 2 Ca 0.00 0.81 -0.03 0.00 0.18 0.00 0.00 52.55 53.52 1mux s ASP 2 Cb 0.00 -2.34 0.04 0.00 1.07 0.00 0.00 42.92 41.69 1mux s ASP 2 CO 0.00 -0.25 0.10 -1.10 1.18 0.00 0.00 175.17 175.10 1mux s GLN 3 N 1.83 -0.03 -0.24 8.23 -0.21 -1.26 -5.13 119.66 122.85 1mux s GLN 3 Ca 0.28 0.43 -0.11 0.00 0.02 0.00 0.00 55.36 55.99 1mux s GLN 3 Cb -0.16 -0.47 0.09 0.00 1.00 0.00 0.00 33.01 33.47 1mux s GLN 3 CO 0.10 -0.34 0.55 -0.48 -2.12 0.00 0.00 175.29 173.01 1mux s LEU 4 N 2.22 -0.73 0.25 2.90 0.05 -1.26 -5.06 118.68 117.05 1mux s LEU 4 Ca 0.04 1.27 0.00 0.00 0.05 0.00 0.00 54.13 55.49 1mux s LEU 4 Cb -0.12 1.89 0.00 0.00 -2.05 0.00 0.00 46.19 45.90 1mux s LEU 4 CO -0.04 -0.22 0.00 0.41 -0.55 0.00 0.00 176.35 175.94 1mux n THR 5 N 4.83 0.10 0.10 5.48 -1.04 -1.26 -4.80 114.28 117.70 1mux n THR 5 Ca -0.16 0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 61.86 1mux n THR 5 Cb 0.53 -0.60 0.21 0.00 -1.82 0.00 0.00 70.33 68.66 1mux n THR 5 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1mux h GLU 6 N 0.00 0.19 -0.91 -2.82 4.81 -2.01 -2.95 114.58 110.89 1mux h GLU 6 Ca 0.00 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1mux h GLU 6 Cb 0.01 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1mux h GLU 6 CO 0.00 0.62 0.60 0.93 -0.73 0.00 0.00 179.01 180.44 1mux h GLU 7 N 0.16 1.19 -0.59 1.92 5.08 -1.97 -2.10 114.58 118.27 1mux h GLU 7 Ca 0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 7 Cb 0.89 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1mux h GLU 7 CO 0.07 0.79 0.37 0.37 -1.00 0.00 0.00 179.01 179.61 1mux h GLN 8 N 1.23 0.71 -0.45 2.33 5.75 -1.83 -1.13 115.11 121.71 1mux h GLN 8 Ca 0.33 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.82 1mux h GLN 8 Cb -0.14 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.22 1mux h GLN 8 CO -0.07 0.47 0.26 0.82 -2.65 0.00 0.00 178.83 177.65 1mux h ILE 9 N 0.73 1.02 0.00 2.39 2.04 -1.41 -0.21 117.51 122.07 1mux h ILE 9 Ca 0.23 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1mux h ILE 9 Cb -0.00 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1mux h ILE 9 CO -0.09 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 178.08 1mux h ALA 10 N 1.21 1.58 -0.29 1.87 0.00 -0.86 -2.26 119.26 120.51 1mux h ALA 10 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1mux h ALA 10 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mux h ALA 10 CO -0.10 0.10 -0.08 1.49 0.00 0.00 0.00 179.25 180.65 1mux h GLU 11 N 0.00 0.57 0.24 0.00 4.57 0.20 -1.97 114.58 118.18 1mux h GLU 11 Ca -0.00 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1mux h GLU 11 Cb 0.17 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1mux h GLU 11 CO 0.01 0.77 -0.12 0.74 -1.18 0.00 0.00 179.01 179.24 1mux h PHE 12 N 0.32 -0.30 -0.80 0.92 0.04 -0.95 -2.04 116.94 114.13 1mux h PHE 12 Ca 0.07 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.98 1mux h PHE 12 Cb 0.57 0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.73 1mux h PHE 12 CO 0.05 -0.12 0.37 0.87 -0.60 0.00 0.00 178.31 178.89 1mux h LYS 13 N -0.42 0.53 -0.83 1.51 1.57 -1.49 0.15 116.57 117.59 1mux h LYS 13 Ca -0.03 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1mux h LYS 13 Cb 0.32 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 1mux h LYS 13 CO 0.05 0.35 0.49 0.93 -0.57 0.00 0.00 179.45 180.71 1mux h GLU 14 N 0.54 0.84 -0.95 3.15 5.08 -0.94 -0.75 114.58 121.55 1mux h GLU 14 Ca 0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1mux h GLU 14 Cb 0.64 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1mux h GLU 14 CO -0.38 0.56 0.60 0.00 -1.00 0.00 0.00 179.01 178.79 1mux h ALA 15 N 1.42 1.27 -0.18 3.43 0.00 -0.02 -2.19 119.26 122.99 1mux h ALA 15 Ca 0.38 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1mux h ALA 15 Cb 0.26 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1mux h ALA 15 CO -0.21 0.65 -0.04 0.35 0.00 0.00 0.00 179.25 180.01 1mux h PHE 16 N 1.30 -0.08 -0.11 0.00 3.04 -0.45 -0.39 116.94 120.26 1mux h PHE 16 Ca 0.34 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1mux h PHE 16 Cb -0.10 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1mux h PHE 16 CO 0.00 -0.07 0.07 0.77 -2.02 0.00 0.00 178.31 177.07 1mux h SER 17 N 0.01 0.12 0.01 0.41 0.02 -1.11 -0.45 113.55 112.56 1mux h SER 17 Ca 0.09 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1mux h SER 17 Cb 0.13 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1mux h SER 17 CO -0.18 0.08 -0.18 0.25 -1.14 0.00 0.00 176.83 175.67 1mux h LEU 18 N 0.14 0.30 0.00 5.07 6.46 -0.48 -3.34 115.31 123.46 1mux h LEU 18 Ca 0.04 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1mux h LEU 18 Cb -0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1mux h LEU 18 CO -0.01 0.50 -0.10 -0.26 -0.62 0.00 0.00 178.44 177.95 1mux h PHE 19 N 0.29 0.00 -0.43 1.25 0.04 -0.53 -3.43 116.94 114.13 1mux h PHE 19 Ca 0.05 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.46 1mux h PHE 19 Cb 0.48 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 1mux h PHE 19 CO 0.01 0.00 1.48 -3.47 -0.60 0.00 0.00 178.31 175.73 1mux n ASP 20 N -2.91 0.57 -0.05 2.17 2.03 -0.43 -4.73 116.55 113.21 1mux n ASP 20 Ca -0.01 -0.48 -0.19 0.00 0.52 0.00 0.00 54.79 54.63 1mux n ASP 20 Cb 0.05 -1.11 -0.13 0.00 -0.72 0.00 0.00 41.12 39.22 1mux n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1mux h LYS 21 N 13.63 0.09 0.00 -0.67 6.56 -1.84 -3.33 116.57 131.01 1mux h LYS 21 Ca -0.06 -0.16 -0.01 0.00 -1.06 0.00 0.00 60.65 59.36 1mux h LYS 21 Cb 1.20 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1mux h LYS 21 CO 1.33 1.08 -0.04 0.38 -2.06 0.00 0.00 179.45 180.13 1mux h ASP 22 N -0.76 0.00 -3.61 0.86 3.04 -1.97 -3.47 116.42 110.51 1mux h ASP 22 Ca -0.19 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 1mux h ASP 22 Cb 1.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 1mux h ASP 22 CO -0.03 0.04 -0.04 0.61 -2.04 0.00 0.00 179.24 177.79 1mux n GLY 23 N 0.00 -0.63 0.01 7.15 0.00 -1.25 -5.01 105.19 105.47 1mux n GLY 23 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1mux n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mux n ASP 24 N -0.99 3.19 0.00 1.61 8.00 -1.26 -5.00 116.55 122.10 1mux n ASP 24 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1mux n ASP 24 Cb 0.39 1.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 25 N 2.22 0.95 3.11 0.44 0.00 -1.26 -5.06 105.19 105.58 1mux n GLY 25 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1mux n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 26 N -2.14 0.86 -0.23 2.61 -4.23 -1.26 -3.36 115.64 107.89 1mux s THR 26 Ca 0.00 -1.06 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 1mux s THR 26 Cb 0.00 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 1mux s THR 26 CO 0.00 -0.19 0.11 -0.63 -0.54 0.00 0.00 174.62 173.37 1mux s ILE 27 N -1.10 4.89 0.00 2.99 1.01 -0.75 -4.95 121.20 123.29 1mux s ILE 27 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1mux s ILE 27 Cb -0.09 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1mux s ILE 27 CO 0.01 0.37 0.00 0.35 0.00 0.00 0.00 174.94 175.67 1mux n THR 28 N 4.29 0.00 0.18 2.92 -2.24 -1.26 -2.38 114.28 115.79 1mux n THR 28 Ca -0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1mux n THR 28 Cb 0.52 -0.27 0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1mux h THR 29 N 0.13 0.16 0.25 4.28 1.35 -1.97 -2.87 112.91 114.24 1mux h THR 29 Ca 0.00 -1.24 -0.01 0.00 -0.55 0.00 0.00 66.41 64.61 1mux h THR 29 Cb 0.00 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1mux h THR 29 CO 0.00 0.09 -0.12 0.11 -0.25 0.00 0.00 175.52 175.35 1mux h LYS 30 N 0.00 -0.32 -0.36 4.72 1.57 -1.98 -0.76 116.57 119.44 1mux h LYS 30 Ca -0.01 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1mux h LYS 30 Cb 1.09 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1mux h LYS 30 CO 0.01 -0.15 0.18 0.93 -0.57 0.00 0.00 179.45 179.84 1mux h GLU 31 N -1.07 0.51 -0.55 3.15 5.08 -1.95 -2.36 114.58 117.38 1mux h GLU 31 Ca -0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1mux h GLU 31 Cb 0.32 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1mux h GLU 31 CO 0.06 0.45 0.20 1.25 -1.00 0.00 0.00 179.01 179.97 1mux h LEU 32 N 0.44 0.74 -0.86 1.33 5.85 -1.63 -1.04 115.31 120.13 1mux h LEU 32 Ca 0.12 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.82 1mux h LEU 32 Cb 0.10 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1mux h LEU 32 CO -0.02 0.68 0.52 1.23 -0.34 0.00 0.00 178.44 180.51 1mux h GLY 33 N 0.93 1.32 1.95 3.75 0.00 -0.61 -0.82 103.07 109.59 1mux h GLY 33 Ca 0.19 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1mux h GLY 33 CO -0.01 0.20 -0.38 -0.84 0.00 0.00 0.00 176.54 175.50 1mux h THR 34 N 0.90 0.56 0.00 4.70 2.02 -1.13 -2.50 112.91 117.47 1mux h THR 34 Ca 0.40 -1.81 -0.13 0.00 0.77 0.00 0.00 66.41 65.64 1mux h THR 34 Cb 0.28 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1mux h THR 34 CO -0.21 0.32 -0.62 0.58 0.37 0.00 0.00 175.52 175.96 1mux h VAL 35 N 0.00 1.43 0.00 3.16 2.07 0.10 -2.83 116.25 120.18 1mux h VAL 35 Ca -0.01 -2.14 -0.29 0.00 0.82 0.00 0.00 66.70 65.08 1mux h VAL 35 Cb 1.26 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 1mux h VAL 35 CO 0.04 0.61 -1.69 0.24 0.02 0.00 0.00 177.57 176.79 1mux h MET 36 N 0.00 0.01 0.73 1.57 2.86 -1.28 -2.39 114.93 116.43 1mux h MET 36 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1mux h MET 36 Cb 1.11 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.78 1mux h MET 36 CO 0.08 0.52 -0.35 -0.09 1.06 0.00 0.00 176.91 178.13 1mux h ARG 37 N 0.00 -0.94 -0.57 1.72 9.65 -1.25 1.21 114.38 124.20 1mux h ARG 37 Ca -0.28 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1mux h ARG 37 Cb 2.01 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 30.80 1mux h ARG 37 CO 0.08 -0.61 0.00 0.45 2.80 0.00 0.00 179.97 182.69 1mux n SER 38 N -5.47 3.08 -2.72 -3.80 2.88 -1.07 -4.48 113.62 102.05 1mux n SER 38 Ca -0.14 -2.03 -0.08 0.00 -1.33 0.00 0.00 58.87 55.30 1mux n SER 38 Cb 0.40 -0.39 0.10 0.00 -0.75 0.00 0.00 64.21 63.57 1mux n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1mux n LEU 39 N 1.13 -2.10 0.00 2.46 4.77 -0.90 -5.05 117.00 117.31 1mux n LEU 39 Ca 0.19 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 1mux n LEU 39 Cb 0.49 0.94 0.00 0.00 -2.33 0.00 0.00 43.42 42.53 1mux n LEU 39 CO 0.13 1.97 0.00 0.61 -1.33 0.00 0.00 177.39 178.78 1mux n GLY 40 N 0.37 -1.34 3.49 -0.72 0.00 -0.20 -4.09 105.19 102.71 1mux n GLY 40 Ca 0.03 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 1mux n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mux s GLN 41 N 0.00 1.77 -0.93 1.61 -0.44 0.40 -4.92 119.66 117.14 1mux s GLN 41 Ca 0.00 -1.62 -0.01 0.00 -2.50 0.00 0.00 55.36 51.23 1mux s GLN 41 Cb 0.00 0.44 0.27 0.00 -1.64 0.00 0.00 33.01 32.08 1mux s GLN 41 CO 0.00 -0.72 1.08 0.09 0.50 0.00 0.00 175.29 176.24 1mux n ASN 42 N -1.05 5.10 -3.47 6.67 5.03 -1.26 -2.74 115.26 123.53 1mux n ASN 42 Ca 0.00 -3.31 -0.26 0.00 0.87 0.00 0.00 54.58 51.88 1mux n ASN 42 Cb 0.62 -1.08 0.21 0.00 -1.02 0.00 0.00 39.78 38.51 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1mux n PRO 43 N 1.60 -2.49 -3.64 3.52 -0.04 -1.26 -5.07 135.00 127.62 1mux n PRO 43 Ca 0.26 -1.59 -0.21 0.00 -0.04 0.00 0.00 63.50 61.92 1mux n PRO 43 Cb 0.37 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1mux n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mux s THR 44 N -2.91 3.26 0.12 0.52 2.01 -1.26 -4.93 115.64 112.45 1mux s THR 44 Ca 0.63 -1.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 1mux s THR 44 Cb -0.05 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1mux s THR 44 CO 0.47 -0.10 1.65 -0.33 -0.69 0.00 0.00 174.62 175.62 1mux h GLU 45 N 1.10 -0.29 0.44 4.92 3.07 -1.99 -0.08 114.58 121.75 1mux h GLU 45 Ca -0.43 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.42 1mux h GLU 45 Cb 1.26 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1mux h GLU 45 CO 0.57 -0.19 -0.21 0.00 -1.40 0.00 0.00 179.01 177.77 1mux h ALA 46 N 0.62 -0.75 -1.00 3.43 0.00 -2.01 -2.80 119.26 116.75 1mux h ALA 46 Ca 0.07 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.14 1mux h ALA 46 Cb 0.40 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1mux h ALA 46 CO -0.21 -0.71 0.96 1.49 0.00 0.00 0.00 179.25 180.77 1mux h GLU 47 N -0.89 0.00 0.07 0.00 4.81 -1.96 0.40 114.58 117.01 1mux h GLU 47 Ca -0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1mux h GLU 47 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1mux h GLU 47 CO 0.10 0.00 -0.04 1.25 -0.73 0.00 0.00 179.01 179.59 1mux h LEU 48 N 0.00 -0.08 -1.18 1.64 6.46 -0.86 -2.74 115.31 118.55 1mux h LEU 48 Ca 0.48 -0.44 0.22 0.00 -0.12 0.00 0.00 57.88 58.01 1mux h LEU 48 Cb 2.39 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 42.24 1mux h LEU 48 CO -0.01 0.42 0.62 -0.61 -0.62 0.00 0.00 178.44 178.25 1mux h GLN 49 N -0.62 0.57 -0.55 1.25 5.75 0.05 0.34 115.11 121.90 1mux h GLN 49 Ca -0.01 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1mux h GLN 49 Cb 0.52 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1mux h GLN 49 CO 0.02 0.38 0.30 0.22 -2.65 0.00 0.00 178.83 177.09 1mux h ASP 50 N 0.59 0.69 0.02 -0.69 3.58 -1.36 -0.26 116.42 118.98 1mux h ASP 50 Ca 0.58 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.93 1mux h ASP 50 Cb 1.15 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 1mux h ASP 50 CO -0.34 0.59 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.57 1mux h MET 51 N 0.74 0.00 0.00 0.28 4.05 -0.05 -0.43 114.93 119.52 1mux h MET 51 Ca 0.19 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.44 1mux h MET 51 Cb 0.05 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1mux h MET 51 CO -0.03 0.00 -0.88 0.82 0.23 0.00 0.00 176.91 177.05 1mux h ILE 52 N 0.00 1.19 0.00 1.77 1.08 -0.32 -3.26 117.51 117.96 1mux h ILE 52 Ca -0.00 -2.74 0.00 0.00 -0.39 0.00 0.00 64.86 61.73 1mux h ILE 52 Cb 0.02 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1mux h ILE 52 CO 0.00 0.68 -0.12 0.78 -0.69 0.00 0.00 178.15 178.80 1mux h ASN 53 N 0.00 0.00 0.95 1.72 2.35 -0.42 -2.69 115.58 117.49 1mux h ASN 53 Ca -0.04 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1mux h ASN 53 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1mux h ASN 53 CO 0.09 0.02 -0.70 1.05 -1.65 0.00 0.00 177.43 176.24 1mux h GLU 54 N 0.00 0.00 0.00 0.81 4.11 -1.52 -3.38 114.58 114.60 1mux h GLU 54 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 1mux h GLU 54 Cb 0.76 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1mux h GLU 54 CO 0.00 0.00 -2.14 0.28 0.07 0.00 0.00 179.01 177.22 1mux n VAL 55 N -2.30 1.15 -2.76 -1.06 0.31 -1.22 -4.84 118.33 107.60 1mux n VAL 55 Ca 0.02 -0.52 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 1mux n VAL 55 Cb 0.47 -1.02 -0.04 0.00 -0.91 0.00 0.00 33.84 32.34 1mux n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mux s ASP 56 N -5.67 6.28 -0.53 4.52 -1.08 -1.02 -4.88 116.67 114.30 1mux s ASP 56 Ca -0.21 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 51.35 1mux s ASP 56 Cb 0.06 -2.47 0.44 0.00 -1.46 0.00 0.00 42.92 39.50 1mux s ASP 56 CO 0.53 -1.43 1.65 0.00 0.52 0.00 0.00 175.17 176.44 1mux n ALA 57 N 7.99 5.77 -0.89 3.66 0.00 -1.26 -4.52 120.51 131.26 1mux n ALA 57 Ca 0.01 -3.72 0.08 0.00 0.00 0.00 0.00 53.44 49.81 1mux n ALA 57 Cb 0.47 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 18.95 1mux n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mux n ASP 58 N -0.77 3.06 -2.36 0.00 2.03 -1.26 -4.94 116.55 112.30 1mux n ASP 58 Ca 0.53 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.82 1mux n ASP 58 Cb 0.73 -0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mux n GLY 59 N -0.80 -0.37 0.45 0.27 0.00 -1.26 -4.81 105.19 98.66 1mux n GLY 59 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1mux n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mux n ASN 60 N -1.72 0.97 0.00 1.61 4.05 -1.26 -5.09 115.26 113.82 1mux n ASN 60 Ca -0.15 0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1mux n ASN 60 Cb 0.60 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.15 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mux n GLY 61 N 2.29 1.70 3.96 8.20 0.00 -1.26 -5.11 105.19 114.96 1mux n GLY 61 Ca -0.05 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1mux n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 62 N 0.00 4.84 0.21 2.61 -4.23 -1.26 -4.77 115.64 113.04 1mux s THR 62 Ca 0.00 -0.65 -0.23 0.00 -1.18 0.00 0.00 61.69 59.63 1mux s THR 62 Cb 0.00 -3.75 -0.08 0.00 1.34 0.00 0.00 72.50 70.01 1mux s THR 62 CO 0.00 -0.43 0.78 -0.63 -0.54 0.00 0.00 174.62 173.81 1mux s ILE 63 N -2.27 4.41 0.40 2.99 1.01 -1.00 -4.92 121.20 121.82 1mux s ILE 63 Ca 0.41 1.58 0.06 0.00 0.00 0.00 0.00 60.65 62.70 1mux s ILE 63 Cb -0.09 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.41 1mux s ILE 63 CO 0.34 0.36 0.50 0.47 0.00 0.00 0.00 174.94 176.62 1mux n ASP 64 N 1.15 1.60 -0.03 3.58 8.00 -1.26 -1.81 116.55 127.77 1mux n ASP 64 Ca -0.03 -2.11 -0.14 0.00 0.71 0.00 0.00 54.79 53.22 1mux n ASP 64 Cb 0.50 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1mux h PHE 65 N 0.17 0.30 0.00 1.24 3.04 -1.98 -2.41 116.94 117.31 1mux h PHE 65 Ca -0.20 -0.12 -0.06 0.00 3.98 0.00 0.00 57.97 61.57 1mux h PHE 65 Cb 0.87 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1mux h PHE 65 CO 0.00 0.81 -0.27 -1.00 -2.02 0.00 0.00 178.31 175.83 1mux h PRO 66 N -0.29 0.00 0.00 6.41 0.13 -1.96 -2.36 132.00 133.93 1mux h PRO 66 Ca -0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1mux h PRO 66 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1mux h PRO 66 CO 0.04 0.27 -0.70 0.93 -0.23 0.00 0.00 178.00 178.31 1mux h GLU 67 N 0.00 0.00 0.05 0.86 5.08 -1.95 -2.34 114.58 116.27 1mux h GLU 67 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 1mux h GLU 67 Cb 0.82 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.09 1mux h GLU 67 CO 0.04 0.70 -1.09 0.35 -1.00 0.00 0.00 179.01 178.01 1mux h PHE 68 N 0.00 0.84 0.00 4.33 3.04 -1.11 -2.53 116.94 121.51 1mux h PHE 68 Ca -0.01 -0.49 -0.10 0.00 3.98 0.00 0.00 57.97 61.35 1mux h PHE 68 Cb 1.41 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.82 1mux h PHE 68 CO 0.00 1.33 -0.49 1.25 -2.02 0.00 0.00 178.31 178.38 1mux h LEU 69 N 0.28 0.00 0.06 0.59 5.85 -1.44 -1.53 115.31 119.11 1mux h LEU 69 Ca -0.13 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.35 1mux h LEU 69 Cb 1.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1mux h LEU 69 CO 0.20 0.49 -1.11 0.74 -0.34 0.00 0.00 178.44 178.42 1mux h THR 70 N 0.00 1.62 0.00 1.05 2.02 -1.44 -1.14 112.91 115.02 1mux h THR 70 Ca -0.00 -3.25 -0.22 0.00 0.77 0.00 0.00 66.41 63.70 1mux h THR 70 Cb 1.14 2.89 -0.04 0.00 -1.74 0.00 0.00 68.15 70.40 1mux h THR 70 CO 0.06 0.94 -1.23 0.00 0.37 0.00 0.00 175.52 175.66 1mux h MET 71 N 0.04 0.00 0.00 6.66 -0.00 -1.42 -2.75 114.93 117.46 1mux h MET 71 Ca -0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.35 1mux h MET 71 Cb 1.86 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 33.41 1mux h MET 71 CO 0.16 0.70 -1.70 -1.33 -0.00 0.00 0.00 176.91 174.75 1mux n MET 72 N -3.19 0.63 0.07 -0.10 2.00 -0.58 -1.28 117.12 114.68 1mux n MET 72 Ca -0.07 0.28 -0.19 0.00 0.00 0.00 0.00 57.70 57.72 1mux n MET 72 Cb 0.95 -1.79 -0.14 0.00 0.00 0.00 0.00 33.22 32.24 1mux n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mux h ALA 73 N 1.05 0.23 0.00 3.04 0.00 -1.34 -3.38 119.26 118.85 1mux h ALA 73 Ca -0.28 -1.11 -0.28 0.00 0.00 0.00 0.00 54.91 53.24 1mux h ALA 73 Cb 1.98 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 20.04 1mux h ALA 73 CO 0.07 1.09 -2.15 -2.13 0.00 0.00 0.00 179.25 176.14 1mux n ARG 74 N -3.50 1.09 0.00 0.00 0.63 -1.04 -5.06 116.66 108.78 1mux n ARG 74 Ca -0.19 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 1mux n ARG 74 Cb 1.06 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.52 1mux n ARG 74 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1mux n LYS 75 N -2.58 0.00 -2.85 -0.14 2.85 -0.40 -4.43 118.16 110.61 1mux n LYS 75 Ca -0.25 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.83 1mux n LYS 75 Cb 0.99 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 35.36 1mux n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mux n MET 76 N 0.00 1.84 -0.10 -1.58 0.00 -1.26 -4.87 117.12 111.14 1mux n MET 76 Ca 0.00 -3.79 -0.20 0.00 0.00 0.00 0.00 57.70 53.71 1mux n MET 76 Cb 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 33.22 31.40 1mux n MET 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1mux n LYS 77 N -0.05 0.44 -4.97 3.17 4.76 -1.26 -4.97 118.16 115.27 1mux n LYS 77 Ca 0.23 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.52 1mux n LYS 77 Cb 0.66 -1.26 -0.17 0.00 -1.84 0.00 0.00 35.03 32.43 1mux n LYS 77 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1mux s ASP 78 N -6.64 3.16 0.97 4.39 1.11 -1.26 -5.11 116.67 113.29 1mux s ASP 78 Ca -0.28 -0.56 -0.11 0.00 0.18 0.00 0.00 52.55 51.78 1mux s ASP 78 Cb 0.10 -1.44 0.18 0.00 1.07 0.00 0.00 42.92 42.83 1mux s ASP 78 CO 0.38 0.13 1.12 0.35 1.18 0.00 0.00 175.17 178.33 1mux n THR 79 N 3.74 0.00 -2.69 -1.27 -2.24 -1.26 -4.98 114.28 105.58 1mux n THR 79 Ca -0.19 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.43 1mux n THR 79 Cb 0.52 -1.00 0.11 0.00 -2.10 0.00 0.00 70.33 67.86 1mux n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1mux n ASP 80 N -4.42 -1.30 -4.76 3.42 -0.08 -1.26 -5.14 116.55 103.01 1mux n ASP 80 Ca 0.10 -2.47 -0.31 0.00 -1.51 0.00 0.00 54.79 50.60 1mux n ASP 80 Cb 0.52 0.73 0.09 0.00 2.34 0.00 0.00 41.12 44.80 1mux n ASP 80 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1mux s SER 81 N -1.53 4.48 0.00 1.67 1.04 -1.26 -5.04 113.70 113.06 1mux s SER 81 Ca 0.22 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.54 1mux s SER 81 Cb 0.41 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1mux s SER 81 CO -0.07 -2.05 0.00 -1.84 0.98 0.00 0.00 173.24 170.25 1mux n GLU 82 N -3.37 2.93 -3.08 4.02 0.00 -1.26 -4.81 120.64 115.06 1mux n GLU 82 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.17 1mux n GLU 82 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.98 1mux n GLU 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1mux n GLU 83 N 0.00 -1.72 0.22 3.44 -0.58 -1.26 -4.71 120.64 116.03 1mux n GLU 83 Ca 0.00 1.61 0.15 0.00 -0.42 0.00 0.00 57.16 58.51 1mux n GLU 83 Cb 0.00 -2.95 0.67 0.00 -0.57 0.00 0.00 31.44 28.59 1mux n GLU 83 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1mux h GLU 84 N 2.99 0.00 -0.43 3.49 5.08 -2.01 -2.86 114.58 120.84 1mux h GLU 84 Ca -0.11 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1mux h GLU 84 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1mux h GLU 84 CO 0.09 0.00 -0.13 0.82 -1.00 0.00 0.00 179.01 178.79 1mux h ILE 85 N 0.00 1.28 -0.18 3.13 1.08 -1.99 -2.13 117.51 118.70 1mux h ILE 85 Ca 0.00 -1.25 -0.12 0.00 -0.39 0.00 0.00 64.86 63.10 1mux h ILE 85 Cb 0.35 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1mux h ILE 85 CO 0.00 0.42 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.44 1mux h ARG 86 N 0.67 0.55 -0.64 2.37 2.43 -1.82 -2.79 114.38 115.14 1mux h ARG 86 Ca 0.10 -0.35 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1mux h ARG 86 Cb 0.68 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1mux h ARG 86 CO 0.05 0.96 0.40 0.93 -1.51 0.00 0.00 179.97 180.80 1mux h GLU 87 N 0.20 0.76 0.97 0.20 5.08 -1.54 -1.87 114.58 118.37 1mux h GLU 87 Ca 0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1mux h GLU 87 Cb 0.95 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1mux h GLU 87 CO 0.08 0.50 -0.48 0.00 -1.00 0.00 0.00 179.01 178.11 1mux h ALA 88 N 1.27 -1.35 -0.63 3.43 0.00 -1.39 -1.60 119.26 118.99 1mux h ALA 88 Ca 0.26 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1mux h ALA 88 Cb 0.02 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1mux h ALA 88 CO -0.10 -1.26 0.69 0.35 0.00 0.00 0.00 179.25 178.93 1mux h PHE 89 N -1.32 0.00 0.30 0.00 3.57 -1.36 -2.03 116.94 116.11 1mux h PHE 89 Ca -0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1mux h PHE 89 Cb 1.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1mux h PHE 89 CO -0.00 0.00 -0.15 -0.09 -2.23 0.00 0.00 178.31 175.84 1mux h ARG 90 N 0.00 -0.39 -0.69 1.11 2.43 -0.45 -1.67 114.38 114.73 1mux h ARG 90 Ca 0.30 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 1mux h ARG 90 Cb 1.68 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 31.28 1mux h ARG 90 CO -0.00 -0.26 0.45 -0.39 -1.51 0.00 0.00 179.97 178.26 1mux h VAL 91 N -0.66 0.94 0.00 0.20 -1.51 -1.01 0.25 116.25 114.45 1mux h VAL 91 Ca -0.04 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1mux h VAL 91 Cb 0.31 0.30 -0.00 0.00 -2.13 0.00 0.00 31.29 29.77 1mux h VAL 91 CO 0.07 0.11 -0.16 -0.26 -1.23 0.00 0.00 177.57 176.09 1mux h PHE 92 N 0.59 0.00 -0.67 5.19 0.04 -1.48 -3.30 116.94 117.31 1mux h PHE 92 Ca 0.31 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.65 1mux h PHE 92 Cb 0.44 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.18 1mux h PHE 92 CO -0.00 0.16 -0.94 -0.25 -0.60 0.00 0.00 178.31 176.68 1mux n ASP 93 N -3.17 3.57 -1.54 2.17 8.00 -0.41 -4.70 116.55 120.48 1mux n ASP 93 Ca 0.03 -3.07 -0.05 0.00 0.71 0.00 0.00 54.79 52.40 1mux n ASP 93 Cb 0.55 -0.40 0.17 0.00 -0.02 0.00 0.00 41.12 41.42 1mux n ASP 93 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1mux n LYS 94 N -0.64 2.51 -0.01 -1.24 2.85 0.73 -3.91 118.16 118.45 1mux n LYS 94 Ca 0.29 -1.83 0.08 0.00 -1.05 0.00 0.00 58.31 55.80 1mux n LYS 94 Cb 0.89 -1.83 0.07 0.00 -0.65 0.00 0.00 35.03 33.52 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1mux n ASP 95 N -0.07 2.34 0.00 -5.58 5.68 -1.26 -4.95 116.55 112.71 1mux n ASP 95 Ca 0.26 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1mux n ASP 95 Cb 1.02 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 96 N 0.87 0.88 0.06 6.12 0.00 -1.25 -5.00 105.19 106.87 1mux n GLY 96 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1mux n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mux n ASN 97 N 0.27 1.48 0.00 1.61 2.85 -1.26 -5.05 115.26 115.16 1mux n ASN 97 Ca 0.00 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1mux n ASN 97 Cb 0.00 -0.74 0.00 0.00 1.24 0.00 0.00 39.78 40.28 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mux n GLY 98 N 1.55 3.06 3.93 8.20 0.00 -1.26 -5.07 105.19 115.59 1mux n GLY 98 Ca -0.09 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1mux n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mux s TYR 99 N 0.00 3.52 0.39 1.61 2.02 -1.26 -4.82 117.35 118.81 1mux s TYR 99 Ca 0.00 0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 57.15 1mux s TYR 99 Cb 0.00 -2.06 -0.06 0.00 -0.40 0.00 0.00 41.96 39.44 1mux s TYR 99 CO 0.00 -0.03 0.74 0.42 -1.57 0.00 0.00 175.55 175.10 1mux s ILE 100 N -2.47 4.83 0.25 2.71 1.01 -0.87 -4.75 121.20 121.90 1mux s ILE 100 Ca 0.43 0.52 0.05 0.00 0.00 0.00 0.00 60.65 61.65 1mux s ILE 100 Cb -0.10 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1mux s ILE 100 CO 0.39 -0.50 0.23 -0.24 0.00 0.00 0.00 174.94 174.82 1mux n SER 101 N -1.27 -0.58 0.10 3.58 2.88 -1.26 -2.37 113.62 114.70 1mux n SER 101 Ca 0.02 -2.66 -0.14 0.00 -1.33 0.00 0.00 58.87 54.76 1mux n SER 101 Cb 0.54 1.32 -0.13 0.00 -0.75 0.00 0.00 64.21 65.19 1mux n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mux h ALA 102 N 1.82 0.15 0.22 -1.46 0.00 -1.92 -2.50 119.26 115.58 1mux h ALA 102 Ca -0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 1mux h ALA 102 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1mux h ALA 102 CO 0.26 1.01 -0.11 0.00 0.00 0.00 0.00 179.25 180.41 1mux h ALA 103 N 0.66 -0.30 -0.65 0.00 0.00 -1.99 -2.73 119.26 114.25 1mux h ALA 103 Ca -0.11 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1mux h ALA 103 Cb 1.92 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 1mux h ALA 103 CO 0.19 -0.39 0.41 0.93 0.00 0.00 0.00 179.25 180.39 1mux h GLU 104 N -0.85 0.79 -0.36 0.00 5.08 -1.90 -1.61 114.58 115.72 1mux h GLU 104 Ca -0.03 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1mux h GLU 104 Cb 0.51 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1mux h GLU 104 CO 0.05 0.53 -0.12 1.25 -1.00 0.00 0.00 179.01 179.72 1mux h LEU 105 N 0.82 -0.41 -1.48 1.33 5.85 -1.49 0.40 115.31 120.32 1mux h LEU 105 Ca 0.25 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1mux h LEU 105 Cb -0.02 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1mux h LEU 105 CO -0.09 -0.15 -0.24 -0.09 -0.34 0.00 0.00 178.44 177.54 1mux h ARG 106 N -0.03 0.00 0.00 1.25 2.43 -1.14 -2.14 114.38 114.75 1mux h ARG 106 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1mux h ARG 106 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1mux h ARG 106 CO -0.39 0.24 0.00 1.25 -1.51 0.00 0.00 179.97 179.55 1mux h HIS 107 N 0.00 0.00 0.00 2.20 2.76 0.02 -2.21 115.15 117.91 1mux h HIS 107 Ca -0.00 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 1mux h HIS 107 Cb 0.56 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1mux h HIS 107 CO 0.00 0.00 -1.07 0.28 -1.30 0.00 0.00 177.93 175.84 1mux h VAL 108 N 0.00 0.96 -0.27 5.26 2.07 -0.61 -3.24 116.25 120.43 1mux h VAL 108 Ca 0.00 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 65.31 1mux h VAL 108 Cb 0.67 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1mux h VAL 108 CO 0.00 0.33 -0.15 0.24 0.02 0.00 0.00 177.57 178.01 1mux h MET 109 N -1.00 0.57 -0.58 1.57 2.07 -1.58 -2.34 114.93 113.63 1mux h MET 109 Ca -0.29 -0.26 0.02 0.00 -2.07 0.00 0.00 59.70 57.11 1mux h MET 109 Cb 1.22 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.90 1mux h MET 109 CO -0.18 0.83 0.36 1.15 1.07 0.00 0.00 176.91 180.14 1mux h THR 110 N 0.30 1.08 0.26 2.22 2.02 -1.51 -2.62 112.91 114.65 1mux h THR 110 Ca 0.06 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1mux h THR 110 Cb 0.67 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1mux h THR 110 CO 0.04 0.13 -0.12 0.78 0.37 0.00 0.00 175.52 176.72 1mux h ASN 111 N 0.71 -0.30 0.00 4.18 4.21 -1.57 -3.37 115.58 119.44 1mux h ASN 111 Ca 0.23 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1mux h ASN 111 Cb 0.01 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1mux h ASN 111 CO -0.09 -0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.22 1mux n LEU 112 N -5.14 0.00 -0.87 1.61 4.77 -0.89 -4.85 117.00 111.64 1mux n LEU 112 Ca -0.09 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1mux n LEU 112 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1mux n LEU 112 CO 0.33 0.00 0.09 0.61 -1.33 0.00 0.00 177.39 177.09 1mux n GLY 113 N -0.32 -0.68 3.27 -0.72 0.00 -1.16 -5.12 105.19 100.47 1mux n GLY 113 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1mux n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mux s GLU 114 N 0.00 1.62 -0.23 1.61 0.41 -1.00 -5.07 118.70 116.03 1mux s GLU 114 Ca 0.00 -0.93 -0.03 0.00 -0.41 0.00 0.00 54.97 53.60 1mux s GLU 114 Cb 0.00 -1.69 0.01 0.00 -1.78 0.00 0.00 34.13 30.67 1mux s GLU 114 CO -0.00 0.44 -0.06 -1.59 -0.49 0.00 0.00 175.26 173.57 1mux s LYS 115 N -0.98 3.09 0.10 1.61 -2.85 -1.26 -3.91 119.74 115.53 1mux s LYS 115 Ca 0.09 -0.81 0.08 0.00 -1.00 0.00 0.00 55.97 54.33 1mux s LYS 115 Cb -0.09 -2.99 -0.03 0.00 -2.06 0.00 0.00 37.83 32.66 1mux s LYS 115 CO 0.01 -0.31 -0.21 -0.51 0.10 0.00 0.00 175.35 174.43 1mux s LEU 116 N 1.40 2.29 0.23 2.77 1.43 -1.26 -5.11 118.68 120.43 1mux s LEU 116 Ca 0.03 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 1mux s LEU 116 Cb -0.15 -0.91 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 1mux s LEU 116 CO -0.04 0.07 1.21 -0.89 0.23 0.00 0.00 176.35 176.93 1mux s THR 117 N -1.14 3.35 0.28 5.49 2.01 -1.26 -4.91 115.64 119.47 1mux s THR 117 Ca 0.07 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.28 1mux s THR 117 Cb -0.10 -3.77 0.28 0.00 0.01 0.00 0.00 72.50 68.91 1mux s THR 117 CO 0.04 0.23 1.68 0.44 -0.69 0.00 0.00 174.62 176.32 1mux h ASP 118 N 4.67 0.16 -0.77 3.53 5.19 -2.00 0.13 116.42 127.32 1mux h ASP 118 Ca -0.46 0.16 0.09 0.00 -0.62 0.00 0.00 57.03 56.20 1mux h ASP 118 Cb 1.22 0.18 -0.07 0.00 0.18 0.00 0.00 39.33 40.84 1mux h ASP 118 CO 0.72 -0.04 0.43 -0.33 -3.12 0.00 0.00 179.24 176.90 1mux h GLU 119 N 0.32 0.72 0.19 3.56 5.08 -2.00 -2.21 114.58 120.24 1mux h GLU 119 Ca 0.51 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1mux h GLU 119 Cb 0.95 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1mux h GLU 119 CO -0.55 0.47 -0.09 0.93 -1.00 0.00 0.00 179.01 178.77 1mux h GLU 120 N 0.74 -0.25 -0.45 2.33 5.08 -1.11 -1.81 114.58 119.11 1mux h GLU 120 Ca 0.37 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.82 1mux h GLU 120 Cb 0.32 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1mux h GLU 120 CO -0.24 -0.15 0.04 0.28 -1.00 0.00 0.00 179.01 177.95 1mux h VAL 121 N -0.28 0.70 -0.89 3.13 2.07 -1.19 -0.14 116.25 119.65 1mux h VAL 121 Ca -0.03 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1mux h VAL 121 Cb 0.21 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1mux h VAL 121 CO 0.04 0.03 0.58 0.44 0.02 0.00 0.00 177.57 178.68 1mux h ASP 122 N 0.16 0.95 1.02 0.57 3.32 -1.22 -0.37 116.42 120.85 1mux h ASP 122 Ca 0.22 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1mux h ASP 122 Cb 0.31 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1mux h ASP 122 CO -0.33 0.64 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.72 1mux h GLU 123 N 1.11 0.00 0.04 3.56 4.81 -0.35 -2.59 114.58 121.16 1mux h GLU 123 Ca 0.36 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1mux h GLU 123 Cb 0.03 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.43 1mux h GLU 123 CO -0.13 0.03 -0.73 0.52 -0.73 0.00 0.00 179.01 177.97 1mux h MET 124 N 0.00 0.42 -0.02 1.92 2.86 0.64 -2.10 114.93 118.66 1mux h MET 124 Ca -0.00 -0.51 -0.08 0.00 -2.06 0.00 0.00 59.70 57.05 1mux h MET 124 Cb 0.55 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1mux h MET 124 CO 0.00 1.17 -0.38 0.82 1.06 0.00 0.00 176.91 179.59 1mux h ILE 125 N -0.10 1.28 0.05 -1.22 1.08 -1.28 -2.52 117.51 114.80 1mux h ILE 125 Ca -0.10 -1.32 -0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1mux h ILE 125 Cb 1.46 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1mux h ILE 125 CO 0.14 0.38 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.87 1mux h ARG 126 N 0.03 -0.06 -0.94 2.37 2.43 -1.49 -1.75 114.38 114.96 1mux h ARG 126 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1mux h ARG 126 Cb 0.68 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 1mux h ARG 126 CO 0.05 0.57 0.60 0.93 -1.51 0.00 0.00 179.97 180.62 1mux h GLU 127 N -0.86 0.80 -0.14 0.20 5.08 -1.38 -1.35 114.58 116.93 1mux h GLU 127 Ca -0.01 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 1mux h GLU 127 Cb 0.66 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1mux h GLU 127 CO 0.01 0.53 -0.64 0.00 -1.00 0.00 0.00 179.01 177.91 1mux h ALA 128 N 1.58 0.27 -0.93 3.43 0.00 -1.51 -3.39 119.26 118.70 1mux h ALA 128 Ca 0.48 -0.55 -0.34 0.00 0.00 0.00 0.00 54.91 54.49 1mux h ALA 128 Cb 0.63 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1mux h ALA 128 CO -0.24 0.55 0.90 0.34 0.00 0.00 0.00 179.25 180.80 1mux s ASP 129 N -6.91 5.11 0.15 0.00 -1.08 -0.51 -4.68 116.67 108.75 1mux s ASP 129 Ca -0.11 -0.33 -0.14 0.00 -0.52 0.00 0.00 52.55 51.44 1mux s ASP 129 Cb 0.07 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 39.01 1mux s ASP 129 CO 0.87 -2.69 1.70 0.40 0.52 0.00 0.00 175.17 175.97 1mux h ILE 130 N 7.18 1.21 0.00 4.11 2.04 -1.77 -2.84 117.51 127.44 1mux h ILE 130 Ca -0.01 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 65.06 1mux h ILE 130 Cb 1.05 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1mux h ILE 130 CO 1.20 0.24 -0.67 -2.24 0.00 0.00 0.00 178.15 176.68 1mux h ASP 131 N 0.62 0.00 -3.44 1.72 3.04 -1.93 -3.48 116.42 112.95 1mux h ASP 131 Ca 0.16 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.88 1mux h ASP 131 Cb 0.19 0.00 0.05 0.00 -1.04 0.00 0.00 39.33 38.53 1mux h ASP 131 CO -0.01 0.67 -0.20 0.61 -2.04 0.00 0.00 179.24 178.27 1mux n GLY 132 N 0.52 0.38 0.66 7.15 0.00 -1.07 -4.98 105.19 107.86 1mux n GLY 132 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1mux n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 133 N -1.83 2.42 0.00 1.61 5.75 -1.26 -4.95 116.55 118.28 1mux n ASP 133 Ca -0.03 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1mux n ASP 133 Cb 0.53 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 134 N 0.89 1.34 3.62 6.12 0.00 -1.26 -5.07 105.19 110.83 1mux n GLY 134 Ca 0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 1mux n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mux s GLN 135 N -1.29 0.81 -0.20 1.61 -2.07 -1.26 -4.93 119.66 112.33 1mux s GLN 135 Ca 0.00 -0.38 0.01 0.00 -1.82 0.00 0.00 55.36 53.17 1mux s GLN 135 Cb 0.00 0.32 0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1mux s GLN 135 CO 0.00 -0.36 -0.13 0.08 -1.32 0.00 0.00 175.29 173.56 1mux s VAL 136 N -2.97 1.77 0.45 3.63 1.01 -1.00 -4.64 120.40 118.65 1mux s VAL 136 Ca 0.09 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1mux s VAL 136 Cb -0.00 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1mux s VAL 136 CO -0.04 0.25 0.61 -3.20 0.00 0.00 0.00 175.10 172.72 1mux n ASN 137 N 4.65 0.26 -0.09 3.32 5.15 -1.26 -2.06 115.26 125.23 1mux n ASN 137 Ca -0.16 -1.35 -0.13 0.00 -0.60 0.00 0.00 54.58 52.34 1mux n ASN 137 Cb 0.47 -0.45 -0.04 0.00 -0.53 0.00 0.00 39.78 39.23 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1mux h TYR 138 N -1.09 0.84 0.80 1.20 3.20 -1.98 -2.40 116.97 117.53 1mux h TYR 138 Ca -0.20 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 1mux h TYR 138 Cb 0.60 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.70 1mux h TYR 138 CO 0.00 0.99 -0.38 1.49 -1.64 0.00 0.00 178.16 178.62 1mux h GLU 139 N 0.44 -1.03 -0.81 1.82 4.57 -1.99 -1.67 114.58 115.91 1mux h GLU 139 Ca 0.05 0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.39 1mux h GLU 139 Cb 0.85 0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 29.62 1mux h GLU 139 CO 0.07 -0.67 0.53 0.93 -1.18 0.00 0.00 179.01 178.69 1mux h GLU 140 N -1.15 0.73 0.00 1.92 5.08 -1.88 0.02 114.58 119.30 1mux h GLU 140 Ca -0.11 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1mux h GLU 140 Cb 0.83 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1mux h GLU 140 CO 0.18 0.48 -0.27 0.35 -1.00 0.00 0.00 179.01 178.75 1mux h PHE 141 N 0.75 0.00 0.00 4.33 3.57 -1.21 -2.56 116.94 121.82 1mux h PHE 141 Ca 0.38 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.80 1mux h PHE 141 Cb 0.45 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1mux h PHE 141 CO -0.00 0.27 -1.18 0.28 -2.23 0.00 0.00 178.31 175.45 1mux h VAL 142 N 0.00 0.23 0.16 1.41 2.07 -0.08 -3.36 116.25 116.68 1mux h VAL 142 Ca -0.00 -1.46 -0.30 0.00 0.82 0.00 0.00 66.70 65.76 1mux h VAL 142 Cb 0.56 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1mux h VAL 142 CO 0.04 0.13 -1.41 1.56 0.02 0.00 0.00 177.57 177.91 1mux h GLN 143 N 0.00 0.33 0.00 1.57 4.20 -0.98 -3.06 115.11 117.17 1mux h GLN 143 Ca -0.07 -0.56 -0.04 0.00 0.06 0.00 0.00 58.65 58.03 1mux h GLN 143 Cb 1.27 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 1mux h GLN 143 CO 0.02 1.24 -0.20 0.00 -0.67 0.00 0.00 178.83 179.22 1mux h MET 144 N 0.09 0.00 0.00 1.46 -0.00 -1.63 -2.06 114.93 112.79 1mux h MET 144 Ca -0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.42 1mux h MET 144 Cb 2.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.62 1mux h MET 144 CO 0.21 0.20 -0.57 0.52 -0.00 0.00 0.00 176.91 177.27 1mux h MET 145 N 0.00 0.00 -6.39 -0.10 2.86 -1.70 -3.45 114.93 106.14 1mux h MET 145 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1mux h MET 145 Cb 0.39 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1mux h MET 145 CO 0.03 0.28 0.17 0.95 1.06 0.00 0.00 176.91 179.40 1mux s THR 146 N -3.07 4.58 0.59 2.22 -4.23 -0.78 -4.85 115.64 110.11 1mux s THR 146 Ca 0.03 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 1mux s THR 146 Cb 0.07 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1mux s THR 146 CO 0.74 0.42 0.00 0.00 -0.54 0.00 0.00 174.62 175.25 1mux n ALA 147 N 2.33 -2.12 -0.96 3.99 0.00 -1.26 -4.93 120.51 117.56 1mux n ALA 147 Ca -0.04 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1mux n ALA 147 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1mux n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13