#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux n ASP 2 N 0.00 0.00 -3.37 0.00 9.92 -1.26 -4.83 116.55 117.02 1mux n ASP 2 Ca 0.00 -0.01 -0.20 0.00 -0.53 0.00 0.00 54.79 54.05 1mux n ASP 2 Cb 0.00 -0.30 -0.05 0.00 -0.64 0.00 0.00 41.12 40.13 1mux n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mux n GLN 3 N -1.30 0.75 0.00 -1.24 10.64 -1.26 -5.15 117.38 119.82 1mux n GLN 3 Ca 0.11 -2.58 0.00 0.00 -1.83 0.00 0.00 57.00 52.70 1mux n GLN 3 Cb 0.20 1.27 0.00 0.00 -0.86 0.00 0.00 30.24 30.85 1mux n GLN 3 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1mux n LEU 4 N 0.00 0.00 -4.01 2.61 -0.00 -1.26 -5.05 117.00 109.30 1mux n LEU 4 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.84 1mux n LEU 4 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.76 1mux n LEU 4 CO 0.24 -0.74 -0.38 -0.89 -0.00 0.00 0.00 177.39 175.63 1mux s THR 5 N -0.22 0.26 -0.89 1.47 2.01 -1.26 -5.02 115.64 111.99 1mux s THR 5 Ca 0.00 -0.93 0.24 0.00 0.31 0.00 0.00 61.69 61.31 1mux s THR 5 Cb 0.00 -0.38 0.22 0.00 0.01 0.00 0.00 72.50 72.35 1mux s THR 5 CO 0.00 -0.43 1.75 -0.62 -0.69 0.00 0.00 174.62 174.63 1mux n GLU 6 N 1.62 0.07 0.26 4.92 -0.58 -1.26 -3.16 120.64 122.51 1mux n GLU 6 Ca -0.23 0.16 0.11 0.00 -0.42 0.00 0.00 57.16 56.78 1mux n GLU 6 Cb 0.55 -1.60 0.70 0.00 -0.57 0.00 0.00 31.44 30.52 1mux n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1mux h GLU 7 N 0.00 0.00 -0.01 3.49 5.08 -1.99 -2.40 114.58 118.75 1mux h GLU 7 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mux h GLU 7 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1mux h GLU 7 CO 0.00 0.12 -0.00 1.96 -1.00 0.00 0.00 179.01 180.08 1mux h GLN 8 N 0.00 0.01 -0.18 2.33 4.20 -1.99 -1.78 115.11 117.70 1mux h GLN 8 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1mux h GLN 8 Cb 0.28 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1mux h GLN 8 CO 0.02 0.42 0.10 0.82 -0.67 0.00 0.00 178.83 179.51 1mux h ILE 9 N -0.39 1.11 -0.99 2.54 2.04 -1.71 -2.37 117.51 117.74 1mux h ILE 9 Ca 0.00 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.66 1mux h ILE 9 Cb 0.41 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 1mux h ILE 9 CO 0.00 0.11 0.63 0.00 0.00 0.00 0.00 178.15 178.89 1mux h ALA 10 N 0.98 1.53 -0.64 1.87 0.00 -1.45 -0.61 119.26 120.93 1mux h ALA 10 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1mux h ALA 10 Cb 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1mux h ALA 10 CO -0.01 0.25 0.39 1.49 0.00 0.00 0.00 179.25 181.37 1mux h GLU 11 N 1.00 0.75 0.00 0.00 4.81 -0.81 0.03 114.58 120.36 1mux h GLU 11 Ca 0.47 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1mux h GLU 11 Cb 0.43 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1mux h GLU 11 CO -0.23 0.49 -0.09 0.74 -0.73 0.00 0.00 179.01 179.19 1mux h PHE 12 N 0.77 0.00 0.00 0.92 0.04 -0.78 -1.60 116.94 116.28 1mux h PHE 12 Ca 0.26 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.88 1mux h PHE 12 Cb 0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1mux h PHE 12 CO -0.05 0.09 -0.72 0.87 -0.60 0.00 0.00 178.31 177.90 1mux h LYS 13 N 0.00 0.00 -0.13 1.51 1.57 -0.48 -1.67 116.57 117.37 1mux h LYS 13 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1mux h LYS 13 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1mux h LYS 13 CO 0.01 0.72 -0.52 1.49 -0.57 0.00 0.00 179.45 180.58 1mux h GLU 14 N 0.00 0.58 0.02 3.15 4.81 -0.59 -2.28 114.58 120.27 1mux h GLU 14 Ca -0.01 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1mux h GLU 14 Cb 1.43 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1mux h GLU 14 CO 0.09 1.08 -0.01 0.00 -0.73 0.00 0.00 179.01 179.44 1mux h ALA 15 N 0.51 -0.02 -0.60 2.92 0.00 -1.56 -1.05 119.26 119.45 1mux h ALA 15 Ca -0.03 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.65 1mux h ALA 15 Cb 1.16 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1mux h ALA 15 CO 0.11 -0.14 0.02 0.35 0.00 0.00 0.00 179.25 179.59 1mux h PHE 16 N -0.77 -0.01 -0.26 0.00 3.57 -1.41 0.15 116.94 118.21 1mux h PHE 16 Ca -0.00 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 1mux h PHE 16 Cb 0.71 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1mux h PHE 16 CO 0.17 -0.14 -0.35 1.03 -2.23 0.00 0.00 178.31 176.79 1mux h SER 17 N 0.13 0.60 -0.03 0.41 0.87 -1.47 -2.04 113.55 112.03 1mux h SER 17 Ca 0.31 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1mux h SER 17 Cb 0.50 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1mux h SER 17 CO -0.50 0.90 0.04 0.25 -0.53 0.00 0.00 176.83 176.99 1mux h LEU 18 N 0.48 0.00 0.00 2.23 7.12 0.62 -3.08 115.31 122.68 1mux h LEU 18 Ca 0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1mux h LEU 18 Cb 0.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1mux h LEU 18 CO 0.07 0.00 -0.28 -0.26 -0.13 0.00 0.00 178.44 177.84 1mux h PHE 19 N 0.00 0.00 -1.51 1.25 0.04 -0.60 -3.45 116.94 112.67 1mux h PHE 19 Ca 0.01 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.11 1mux h PHE 19 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1mux h PHE 19 CO 0.00 0.00 1.19 -3.47 -0.60 0.00 0.00 178.31 175.43 1mux n ASP 20 N -4.10 2.62 -0.08 2.17 2.03 -0.82 -4.82 116.55 113.55 1mux n ASP 20 Ca -0.04 0.74 -0.11 0.00 0.52 0.00 0.00 54.79 55.91 1mux n ASP 20 Cb 0.15 -1.27 -0.09 0.00 -0.72 0.00 0.00 41.12 39.18 1mux n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1mux n LYS 21 N 7.03 0.86 0.21 -0.67 5.02 -1.26 -4.47 118.16 124.89 1mux n LYS 21 Ca 0.32 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.75 1mux n LYS 21 Cb 0.23 -1.37 0.47 0.00 -0.02 0.00 0.00 35.03 34.34 1mux n LYS 21 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1mux h ASP 22 N 0.00 0.00 -2.86 4.39 2.03 -1.98 -3.48 116.42 114.52 1mux h ASP 22 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1mux h ASP 22 Cb 1.72 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.22 1mux h ASP 22 CO -0.04 0.28 0.00 0.61 -1.03 0.00 0.00 179.24 179.06 1mux n GLY 23 N -0.12 -2.75 1.26 7.15 0.00 -1.26 -5.06 105.19 104.40 1mux n GLY 23 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1mux n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 24 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.06 116.55 117.59 1mux n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1mux n ASP 24 Cb 0.00 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 25 N -1.20 1.35 3.43 6.12 0.00 -1.26 -5.14 105.19 108.49 1mux n GLY 25 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.35 0.00 -0.38 2.61 -4.23 -1.26 -4.09 115.64 106.95 1mux s THR 26 Ca 0.00 -0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 1mux s THR 26 Cb 0.00 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1mux s THR 26 CO 0.00 -0.01 0.29 -0.63 -0.54 0.00 0.00 174.62 173.72 1mux s ILE 27 N 0.14 5.26 0.51 2.99 1.01 -0.75 -4.89 121.20 125.46 1mux s ILE 27 Ca -0.01 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1mux s ILE 27 Cb -0.04 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.69 1mux s ILE 27 CO 0.01 -0.17 0.70 0.41 0.00 0.00 0.00 174.94 175.90 1mux n THR 28 N 5.16 0.00 0.10 2.92 -1.04 -1.26 -2.53 114.28 117.63 1mux n THR 28 Ca -0.11 -1.48 -0.04 0.00 -2.04 0.00 0.00 64.05 60.37 1mux n THR 28 Cb 0.48 -0.72 0.12 0.00 -1.82 0.00 0.00 70.33 68.39 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1mux h THR 29 N -0.12 1.43 0.54 12.58 1.35 -1.98 -2.31 112.91 124.40 1mux h THR 29 Ca -0.24 -2.16 -0.03 0.00 -0.55 0.00 0.00 66.41 63.44 1mux h THR 29 Cb 1.01 2.14 0.01 0.00 -1.73 0.00 0.00 68.15 69.58 1mux h THR 29 CO 0.31 0.63 -0.26 0.11 -0.25 0.00 0.00 175.52 176.06 1mux h LYS 30 N 0.09 -0.69 -0.42 4.72 1.57 -1.99 -0.58 116.57 119.28 1mux h LYS 30 Ca -0.01 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1mux h LYS 30 Cb 1.18 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.59 1mux h LYS 30 CO 0.09 -0.46 0.11 0.93 -0.57 0.00 0.00 179.45 179.55 1mux h GLU 31 N -0.97 0.24 -0.56 3.15 5.08 -1.95 0.11 114.58 119.67 1mux h GLU 31 Ca -0.07 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1mux h GLU 31 Cb 0.55 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1mux h GLU 31 CO 0.12 0.16 0.39 1.25 -1.00 0.00 0.00 179.01 179.92 1mux h LEU 32 N 0.25 0.23 0.16 1.33 5.85 -1.44 -1.13 115.31 120.55 1mux h LEU 32 Ca 0.20 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1mux h LEU 32 Cb 0.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1mux h LEU 32 CO -0.25 0.13 -0.08 1.23 -0.34 0.00 0.00 178.44 179.13 1mux h GLY 33 N 0.25 -0.23 2.00 3.75 0.00 0.90 -0.94 103.07 108.80 1mux h GLY 33 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1mux h GLY 33 CO -0.05 -0.09 0.00 2.41 0.00 0.00 0.00 176.54 178.81 1mux n THR 34 N -5.19 0.88 0.08 4.70 -1.04 -0.54 -2.52 114.28 110.67 1mux n THR 34 Ca -0.09 0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 62.06 1mux n THR 34 Cb 0.11 -1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 67.47 1mux n THR 34 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1mux h VAL 35 N 0.00 1.58 0.00 12.58 2.07 -0.09 -1.87 116.25 130.52 1mux h VAL 35 Ca 0.00 -3.02 -0.20 0.00 0.82 0.00 0.00 66.70 64.30 1mux h VAL 35 Cb 0.33 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1mux h VAL 35 CO 0.00 0.87 -1.32 0.24 0.02 0.00 0.00 177.57 177.38 1mux h MET 36 N 0.05 0.00 0.09 1.57 2.86 -1.12 -3.30 114.93 115.08 1mux h MET 36 Ca -0.05 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1mux h MET 36 Cb 1.70 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.37 1mux h MET 36 CO 0.15 0.48 -0.66 -0.09 1.06 0.00 0.00 176.91 177.85 1mux h ARG 37 N 0.00 0.20 -0.07 1.72 1.12 -1.56 -1.72 114.38 114.07 1mux h ARG 37 Ca -0.16 -0.34 0.02 0.00 -1.11 0.00 0.00 59.98 58.39 1mux h ARG 37 Cb 1.71 0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.80 1mux h ARG 37 CO 0.07 1.16 0.16 1.03 -3.11 0.00 0.00 179.97 179.29 1mux h SER 38 N -0.57 0.00 0.00 -3.80 0.87 -1.50 -3.24 113.55 105.31 1mux h SER 38 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1mux h SER 38 Cb 1.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1mux h SER 38 CO 0.09 0.00 -0.02 0.18 -0.53 0.00 0.00 176.83 176.55 1mux n LEU 39 N -3.36 0.05 0.00 2.23 4.77 -1.23 -5.05 117.00 114.41 1mux n LEU 39 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1mux n LEU 39 Cb 0.25 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1mux n LEU 39 CO 0.22 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1mux n GLY 40 N 1.61 -1.34 0.45 -0.72 0.00 -0.72 -5.07 105.19 99.40 1mux n GLY 40 Ca -0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1mux n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mux n GLN 41 N 0.00 0.00 -3.40 1.61 -0.06 -0.78 -4.94 117.38 109.81 1mux n GLN 41 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.83 1mux n GLN 41 Cb 0.00 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.21 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1mux n ASN 42 N -2.75 -6.37 -2.95 1.69 5.15 -1.20 -4.94 115.26 103.88 1mux n ASN 42 Ca 0.00 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 1mux n ASN 42 Cb 0.00 -4.16 0.00 0.00 -0.53 0.00 0.00 39.78 35.09 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mux n PRO 43 N -2.95 0.54 -4.15 1.20 -0.04 -1.26 -5.02 135.00 123.32 1mux n PRO 43 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1mux n PRO 43 Cb 0.58 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.30 3.94 0.22 0.52 2.01 -1.26 -5.01 115.64 115.76 1mux s THR 44 Ca 0.00 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 60.81 1mux s THR 44 Cb 0.00 -2.90 0.19 0.00 0.01 0.00 0.00 72.50 69.79 1mux s THR 44 CO 0.00 0.06 1.89 -0.08 -0.69 0.00 0.00 174.62 175.80 1mux h GLU 45 N 3.24 1.06 0.37 4.92 4.81 -1.98 -0.29 114.58 126.71 1mux h GLU 45 Ca -0.48 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1mux h GLU 45 Cb 1.17 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1mux h GLU 45 CO 0.59 0.70 -0.18 0.00 -0.73 0.00 0.00 179.01 179.39 1mux h ALA 46 N 1.31 -0.59 -0.49 2.92 0.00 -2.00 -2.74 119.26 117.66 1mux h ALA 46 Ca 0.31 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.25 1mux h ALA 46 Cb -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mux h ALA 46 CO -0.08 -0.56 0.61 1.49 0.00 0.00 0.00 179.25 180.71 1mux h GLU 47 N -0.92 0.00 0.06 0.00 4.81 -1.97 0.45 114.58 117.01 1mux h GLU 47 Ca -0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1mux h GLU 47 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1mux h GLU 47 CO 0.08 0.00 -0.03 1.25 -0.73 0.00 0.00 179.01 179.58 1mux h LEU 48 N 0.00 -0.07 -1.99 1.64 6.46 -0.96 -1.45 115.31 118.94 1mux h LEU 48 Ca 0.23 -0.47 0.17 0.00 -0.12 0.00 0.00 57.88 57.70 1mux h LEU 48 Cb 1.44 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 1mux h LEU 48 CO -0.00 0.45 0.43 -0.61 -0.62 0.00 0.00 178.44 178.09 1mux h GLN 49 N -0.62 0.01 0.00 1.25 4.15 -0.60 0.28 115.11 119.58 1mux h GLN 49 Ca -0.01 -0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.19 1mux h GLN 49 Cb 0.53 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1mux h GLN 49 CO 0.01 0.01 -0.94 0.22 -1.93 0.00 0.00 178.83 176.20 1mux h ASP 50 N 0.01 0.50 1.10 -0.69 3.58 -1.26 -2.49 116.42 117.17 1mux h ASP 50 Ca 0.29 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1mux h ASP 50 Cb 1.14 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1mux h ASP 50 CO -0.01 1.20 0.00 -0.03 -2.88 0.00 0.00 179.24 177.53 1mux h MET 51 N 0.22 0.00 0.10 0.28 4.05 0.60 -3.05 114.93 117.13 1mux h MET 51 Ca -0.08 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.01 1mux h MET 51 Cb 1.57 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.35 1mux h MET 51 CO 0.16 0.00 -1.79 0.82 0.23 0.00 0.00 176.91 176.33 1mux h ILE 52 N 0.00 0.84 -0.96 1.77 2.04 -1.13 -3.28 117.51 116.79 1mux h ILE 52 Ca 0.00 -2.56 0.11 0.00 1.00 0.00 0.00 64.86 63.41 1mux h ILE 52 Cb 0.55 2.58 -0.08 0.00 -0.74 0.00 0.00 36.82 39.13 1mux h ILE 52 CO 0.00 0.79 0.59 0.78 0.00 0.00 0.00 178.15 180.31 1mux h ASN 53 N 0.06 0.87 0.46 1.72 -0.26 -1.33 0.27 115.58 117.37 1mux h ASN 53 Ca -0.34 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.34 1mux h ASN 53 Cb 2.03 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 39.15 1mux h ASN 53 CO 0.12 0.48 -0.50 1.05 -1.06 0.00 0.00 177.43 177.52 1mux h GLU 54 N 0.96 0.05 0.00 0.81 4.11 -1.69 -3.34 114.58 115.49 1mux h GLU 54 Ca 0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1mux h GLU 54 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1mux h GLU 54 CO -0.25 0.55 0.00 0.28 0.07 0.00 0.00 179.01 179.65 1mux n VAL 55 N -3.94 0.00 -1.53 -1.06 0.31 -0.07 -4.57 118.33 107.47 1mux n VAL 55 Ca -0.02 0.65 -0.35 0.00 -0.01 0.00 0.00 64.34 64.61 1mux n VAL 55 Cb 0.52 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 1mux n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mux n ASP 56 N -1.59 1.37 -2.34 4.52 -0.08 -0.30 -4.77 116.55 113.36 1mux n ASP 56 Ca 0.00 -0.36 -0.22 0.00 -1.51 0.00 0.00 54.79 52.69 1mux n ASP 56 Cb 0.00 -1.31 -0.09 0.00 2.34 0.00 0.00 41.12 42.06 1mux n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mux n ALA 57 N 13.77 6.44 -0.90 -1.67 0.00 -1.26 -3.87 120.51 133.02 1mux n ALA 57 Ca 0.49 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 51.25 1mux n ALA 57 Cb 0.34 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 1.38 0.19 -2.92 0.00 2.03 -1.26 -5.08 116.55 110.89 1mux n ASP 58 Ca 0.47 -1.09 -0.04 0.00 0.52 0.00 0.00 54.79 54.65 1mux n ASP 58 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 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 -0.05 -2.46 1.18 0.27 0.00 -1.25 -4.93 105.19 97.96 1mux n GLY 59 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.68 -2.22 0.00 1.61 4.05 -1.26 -5.07 115.26 113.04 1mux n ASN 60 Ca 0.01 0.69 0.00 0.00 0.45 0.00 0.00 54.58 55.73 1mux n ASN 60 Cb 0.24 2.28 0.00 0.00 1.23 0.00 0.00 39.78 43.54 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 -1.28 3.19 3.84 8.20 0.00 -1.26 -5.10 105.19 112.78 1mux n GLY 61 Ca 0.00 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 4.83 0.19 2.61 -4.23 -1.26 -4.76 115.64 113.03 1mux s THR 62 Ca 0.00 0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 61.38 1mux s THR 62 Cb 0.00 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 1mux s THR 62 CO 0.00 0.33 0.45 -0.63 -0.54 0.00 0.00 174.62 174.23 1mux s ILE 63 N -1.36 5.08 0.00 2.99 1.01 -1.05 -4.91 121.20 122.96 1mux s ILE 63 Ca 0.35 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1mux s ILE 63 Cb -0.16 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1mux s ILE 63 CO 0.19 -0.07 0.00 0.47 0.00 0.00 0.00 174.94 175.53 1mux n ASP 64 N -0.20 0.90 0.09 3.58 8.00 -1.26 -1.81 116.55 125.85 1mux n ASP 64 Ca -0.02 -0.28 -0.22 0.00 0.71 0.00 0.00 54.79 54.98 1mux n ASP 64 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.13 0.80 0.00 1.24 3.04 -2.00 -2.84 116.94 117.30 1mux h PHE 65 Ca 0.00 -0.56 -0.10 0.00 3.98 0.00 0.00 57.97 61.29 1mux h PHE 65 Cb 0.00 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1mux h PHE 65 CO 0.00 1.43 -0.46 -1.00 -2.02 0.00 0.00 178.31 176.26 1mux h PRO 66 N -0.05 0.00 0.00 6.41 0.13 -1.96 -2.34 132.00 134.18 1mux h PRO 66 Ca -0.19 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.78 1mux h PRO 66 Cb 1.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.98 1mux h PRO 66 CO 0.21 0.46 -0.75 0.93 -0.23 0.00 0.00 178.00 178.62 1mux h GLU 67 N 0.00 0.00 0.07 0.86 5.08 -1.96 -1.54 114.58 117.10 1mux h GLU 67 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1mux h GLU 67 Cb 1.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.40 1mux h GLU 67 CO 0.06 0.75 -0.68 0.35 -1.00 0.00 0.00 179.01 178.49 1mux h PHE 68 N 0.00 0.54 -0.00 4.33 3.57 -1.40 -2.42 116.94 121.55 1mux h PHE 68 Ca -0.01 -0.35 -0.19 0.00 3.53 0.00 0.00 57.97 60.96 1mux h PHE 68 Cb 1.51 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1mux h PHE 68 CO 0.00 1.22 -0.83 1.25 -2.23 0.00 0.00 178.31 177.72 1mux h LEU 69 N -0.29 0.21 -0.10 0.59 5.85 -1.50 -2.69 115.31 117.38 1mux h LEU 69 Ca -0.11 -0.16 -0.21 0.00 0.84 0.00 0.00 57.88 58.24 1mux h LEU 69 Cb 1.46 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1mux h LEU 69 CO 0.13 0.94 -0.99 0.74 -0.34 0.00 0.00 178.44 178.93 1mux h THR 70 N 0.09 1.61 0.04 1.05 2.02 -1.38 -2.49 112.91 113.85 1mux h THR 70 Ca -0.03 -3.09 -0.23 0.00 0.77 0.00 0.00 66.41 63.83 1mux h THR 70 Cb 1.44 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.56 1mux h THR 70 CO 0.12 0.89 -1.07 0.00 0.37 0.00 0.00 175.52 175.83 1mux h MET 71 N 0.03 0.08 0.00 6.66 -0.00 -1.47 -3.27 114.93 116.96 1mux h MET 71 Ca -0.04 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1mux h MET 71 Cb 1.70 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 33.35 1mux h MET 71 CO 0.14 1.06 -0.48 -1.33 -0.00 0.00 0.00 176.91 176.30 1mux n MET 72 N -3.41 0.03 0.22 -0.10 2.00 -1.02 -2.94 117.12 111.90 1mux n MET 72 Ca -0.03 0.01 0.11 0.00 0.00 0.00 0.00 57.70 57.79 1mux n MET 72 Cb 0.96 -1.52 0.28 0.00 0.00 0.00 0.00 33.22 32.95 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 2.95 0.94 0.00 3.04 0.00 -1.49 -3.32 119.26 121.38 1mux h ALA 73 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1mux h ALA 73 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1mux h ALA 73 CO 0.00 0.15 -1.63 0.54 0.00 0.00 0.00 179.25 178.31 1mux n ARG 74 N -3.16 2.13 -1.83 0.00 5.12 -1.25 -5.11 116.66 112.56 1mux n ARG 74 Ca 0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1mux n ARG 74 Cb 0.51 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 1mux n ARG 74 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1mux n LYS 75 N -2.28 -5.15 -4.24 5.56 5.02 -1.15 -5.06 118.16 110.85 1mux n LYS 75 Ca -0.14 3.74 -0.16 0.00 -2.02 0.00 0.00 58.31 59.74 1mux n LYS 75 Cb 0.73 -4.14 -0.09 0.00 -0.02 0.00 0.00 35.03 31.51 1mux n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1mux s MET 76 N -2.48 1.49 -0.29 1.97 -1.94 -1.26 -5.09 119.30 111.70 1mux s MET 76 Ca 0.00 -1.82 -0.06 0.00 -1.71 0.00 0.00 55.69 52.09 1mux s MET 76 Cb 0.00 0.30 0.01 0.00 2.01 0.00 0.00 34.83 37.15 1mux s MET 76 CO 0.00 -0.53 0.06 0.15 -0.01 0.00 0.00 175.02 174.70 1mux s LYS 77 N -3.78 3.09 -0.46 2.03 1.02 -1.26 -5.00 119.74 115.38 1mux s LYS 77 Ca 0.40 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.60 1mux s LYS 77 Cb 0.04 -3.33 0.21 0.00 -0.52 0.00 0.00 37.83 34.24 1mux s LYS 77 CO 0.20 -0.43 0.62 -3.47 -0.92 0.00 0.00 175.35 171.35 1mux n ASP 78 N 4.85 -1.76 -4.81 2.83 2.03 -1.26 -5.13 116.55 113.29 1mux n ASP 78 Ca -0.15 -2.82 -0.29 0.00 0.52 0.00 0.00 54.79 52.05 1mux n ASP 78 Cb 0.48 0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 41.47 1mux n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1mux s THR 79 N 0.17 4.71 0.11 5.18 2.01 -1.26 -4.91 115.64 121.65 1mux s THR 79 Ca 0.32 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1mux s THR 79 Cb 0.10 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1mux s THR 79 CO -0.15 0.07 0.00 0.47 -0.69 0.00 0.00 174.62 174.32 1mux n ASP 80 N 0.21 -8.12 -4.02 3.53 9.92 -1.26 -4.85 116.55 111.96 1mux n ASP 80 Ca -0.08 1.56 -0.40 0.00 -0.53 0.00 0.00 54.79 55.34 1mux n ASP 80 Cb 0.52 -4.73 -0.02 0.00 -0.64 0.00 0.00 41.12 36.26 1mux n ASP 80 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1mux n SER 81 N 1.91 5.49 -0.13 -2.24 2.88 -1.26 -4.76 113.62 115.51 1mux n SER 81 Ca 0.00 -3.28 -0.20 0.00 -1.33 0.00 0.00 58.87 54.05 1mux n SER 81 Cb 0.00 -1.18 -0.12 0.00 -0.75 0.00 0.00 64.21 62.16 1mux n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1mux n GLU 82 N 1.74 0.64 -3.15 -1.46 2.13 -1.26 -4.99 120.64 114.29 1mux n GLU 82 Ca 0.25 0.18 0.06 0.00 0.66 0.00 0.00 57.16 58.31 1mux n GLU 82 Cb 0.36 -1.52 -0.00 0.00 0.27 0.00 0.00 31.44 30.55 1mux n GLU 82 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1mux s GLU 83 N -2.52 0.08 0.19 5.31 2.56 -1.26 -5.04 118.70 118.02 1mux s GLU 83 Ca -0.35 0.09 -0.12 0.00 0.00 0.00 0.00 54.97 54.58 1mux s GLU 83 Cb 0.10 0.04 0.10 0.00 2.00 0.00 0.00 34.13 36.37 1mux s GLU 83 CO 0.58 -0.15 1.81 0.93 -0.56 0.00 0.00 175.26 177.88 1mux h GLU 84 N 7.23 0.88 -0.36 4.30 4.39 -1.94 -1.57 114.58 127.51 1mux h GLU 84 Ca -0.10 -0.09 0.10 0.00 0.34 0.00 0.00 59.36 59.61 1mux h GLU 84 Cb 1.17 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1mux h GLU 84 CO -0.14 0.65 0.56 0.82 -1.16 0.00 0.00 179.01 179.74 1mux h ILE 85 N 0.87 0.20 0.02 3.13 2.04 -2.00 -1.52 117.51 120.25 1mux h ILE 85 Ca 0.23 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 1mux h ILE 85 Cb 0.01 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1mux h ILE 85 CO -0.04 0.00 -0.01 0.03 0.00 0.00 0.00 178.15 178.13 1mux h ARG 86 N 0.00 -0.03 -0.95 2.37 -0.00 -1.70 -2.84 114.38 111.23 1mux h ARG 86 Ca 0.17 0.00 0.15 0.00 -0.50 0.00 0.00 59.98 59.80 1mux h ARG 86 Cb 1.28 0.01 -0.08 0.00 0.00 0.00 0.00 29.97 31.17 1mux h ARG 86 CO -0.00 0.44 0.60 0.93 0.00 0.00 0.00 179.97 181.94 1mux h GLU 87 N -0.99 0.77 0.71 0.04 5.08 -1.28 -2.39 114.58 116.53 1mux h GLU 87 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1mux h GLU 87 Cb 0.48 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1mux h GLU 87 CO 0.00 0.51 -0.34 0.00 -1.00 0.00 0.00 179.01 178.18 1mux h ALA 88 N 1.59 -0.96 -1.21 3.43 0.00 -1.49 -2.74 119.26 117.89 1mux h ALA 88 Ca 0.49 -0.22 0.35 0.00 0.00 0.00 0.00 54.91 55.54 1mux h ALA 88 Cb 0.70 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1mux h ALA 88 CO -0.26 -0.91 0.96 0.35 0.00 0.00 0.00 179.25 179.39 1mux h PHE 89 N -1.22 0.00 0.24 0.00 3.57 -1.21 -0.03 116.94 118.30 1mux h PHE 89 Ca -0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1mux h PHE 89 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1mux h PHE 89 CO 0.00 0.00 -0.12 0.00 -2.23 0.00 0.00 178.31 175.96 1mux h ARG 90 N 0.00 -0.31 0.00 1.11 3.08 -1.16 -1.11 114.38 115.99 1mux h ARG 90 Ca 0.57 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1mux h ARG 90 Cb 2.49 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.61 1mux h ARG 90 CO -0.01 0.05 0.00 -0.39 -1.07 0.00 0.00 179.97 178.55 1mux h VAL 91 N -0.88 0.00 0.00 2.04 -1.51 -0.77 0.16 116.25 115.29 1mux h VAL 91 Ca -0.03 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.33 1mux h VAL 91 Cb 0.51 1.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1mux h VAL 91 CO 0.05 0.00 -1.29 0.49 -1.23 0.00 0.00 177.57 175.59 1mux n PHE 92 N -3.02 0.78 -2.23 5.19 3.72 -0.66 -4.26 117.46 116.98 1mux n PHE 92 Ca -0.02 0.23 -0.10 0.00 -0.05 0.00 0.00 57.45 57.51 1mux n PHE 92 Cb 0.10 -0.90 0.06 0.00 -0.94 0.00 0.00 39.48 37.79 1mux n PHE 92 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1mux n ASP 93 N -2.64 3.12 -0.32 4.37 9.92 -0.43 -4.54 116.55 126.02 1mux n ASP 93 Ca -0.03 -3.13 0.05 0.00 -0.53 0.00 0.00 54.79 51.15 1mux n ASP 93 Cb 0.62 -0.41 0.21 0.00 -0.64 0.00 0.00 41.12 40.91 1mux n ASP 93 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1mux n LYS 94 N -0.63 1.41 0.16 -1.24 2.85 0.43 -3.67 118.16 117.47 1mux n LYS 94 Ca 0.26 -0.64 0.07 0.00 -1.05 0.00 0.00 58.31 56.95 1mux n LYS 94 Cb 0.90 -1.21 0.07 0.00 -0.65 0.00 0.00 35.03 34.13 1mux n LYS 94 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1mux h ASP 95 N 1.11 0.00 0.00 -5.58 3.04 -1.86 -3.47 116.42 109.66 1mux h ASP 95 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1mux h ASP 95 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1mux h ASP 95 CO 0.00 0.27 0.00 0.61 -2.04 0.00 0.00 179.24 178.08 1mux n GLY 96 N 1.19 1.99 0.00 7.15 0.00 -1.24 -5.01 105.19 109.27 1mux n GLY 96 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mux n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mux n ASN 97 N 0.00 1.76 -0.15 1.61 6.94 -1.26 -5.00 115.26 119.16 1mux n ASN 97 Ca 0.00 -0.15 -0.02 0.00 -0.02 0.00 0.00 54.58 54.39 1mux n ASN 97 Cb 0.00 0.65 -0.01 0.00 -2.36 0.00 0.00 39.78 38.06 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 98 N 1.17 0.32 3.27 4.83 0.00 -1.26 -4.96 105.19 108.57 1mux n GLY 98 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.44 2.18 -0.38 1.61 2.02 -1.26 -4.55 117.35 115.52 1mux s TYR 99 Ca 0.00 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.06 1mux s TYR 99 Cb 0.00 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 1mux s TYR 99 CO 0.00 -0.05 0.63 0.42 -1.57 0.00 0.00 175.55 174.98 1mux s ILE 100 N -0.52 4.88 0.19 2.71 1.01 -0.83 -4.60 121.20 124.03 1mux s ILE 100 Ca 0.08 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.22 1mux s ILE 100 Cb -0.10 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1mux s ILE 100 CO -0.01 -0.39 0.20 -0.94 0.00 0.00 0.00 174.94 173.81 1mux s SER 101 N 1.85 5.79 0.42 3.58 1.04 -1.26 -2.61 113.70 122.50 1mux s SER 101 Ca 0.24 -0.07 0.16 0.00 0.48 0.00 0.00 55.95 56.76 1mux s SER 101 Cb -0.14 -1.58 1.05 0.00 0.10 0.00 0.00 66.02 65.45 1mux s SER 101 CO 0.16 0.03 1.87 0.00 0.98 0.00 0.00 173.24 176.28 1mux h ALA 102 N 2.04 2.15 0.49 5.32 0.00 -1.94 -2.01 119.26 125.30 1mux h ALA 102 Ca -0.48 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1mux h ALA 102 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1mux h ALA 102 CO 0.64 -0.41 -0.24 0.00 0.00 0.00 0.00 179.25 179.24 1mux h ALA 103 N 1.62 -0.81 -0.90 0.00 0.00 -2.00 -2.83 119.26 114.35 1mux h ALA 103 Ca 0.44 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.44 1mux h ALA 103 Cb 1.05 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 1mux h ALA 103 CO -0.16 -0.76 0.36 0.93 0.00 0.00 0.00 179.25 179.62 1mux h GLU 104 N -0.95 0.32 0.07 0.00 5.08 -1.81 -0.22 114.58 117.08 1mux h GLU 104 Ca -0.07 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1mux h GLU 104 Cb 0.51 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1mux h GLU 104 CO 0.11 0.21 -0.25 1.25 -1.00 0.00 0.00 179.01 179.34 1mux h LEU 105 N 0.33 -0.71 -2.52 1.33 6.46 -1.37 0.57 115.31 119.39 1mux h LEU 105 Ca 0.57 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.42 1mux h LEU 105 Cb 1.13 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1mux h LEU 105 CO -0.57 -0.33 0.00 -0.09 -0.62 0.00 0.00 178.44 176.83 1mux h ARG 106 N -0.42 0.00 0.00 1.25 9.65 -0.82 -1.30 114.38 122.73 1mux h ARG 106 Ca 0.04 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.78 1mux h ARG 106 Cb 0.47 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1mux h ARG 106 CO -0.17 0.00 -0.65 1.25 2.80 0.00 0.00 179.97 183.19 1mux h HIS 107 N 0.00 0.00 0.21 2.20 2.76 0.23 -3.05 115.15 117.50 1mux h HIS 107 Ca 0.00 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.82 1mux h HIS 107 Cb 0.15 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.13 1mux h HIS 107 CO 0.00 0.65 -1.67 0.28 -1.30 0.00 0.00 177.93 175.90 1mux h VAL 108 N 0.00 1.04 -0.82 5.26 2.07 -0.32 -3.31 116.25 120.18 1mux h VAL 108 Ca -0.01 -2.57 0.01 0.00 0.82 0.00 0.00 66.70 64.96 1mux h VAL 108 Cb 1.40 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.98 1mux h VAL 108 CO 0.09 0.84 0.54 0.24 0.02 0.00 0.00 177.57 179.30 1mux h MET 109 N 0.11 1.07 -0.63 1.57 2.07 -1.52 -2.40 114.93 115.20 1mux h MET 109 Ca -0.32 -0.06 0.07 0.00 -2.07 0.00 0.00 59.70 57.31 1mux h MET 109 Cb 2.12 -0.24 -0.06 0.00 -1.87 0.00 0.00 31.60 31.55 1mux h MET 109 CO 0.21 0.71 0.32 1.79 1.07 0.00 0.00 176.91 181.00 1mux h THR 110 N 1.10 0.91 -0.16 2.22 1.35 -1.65 -1.10 112.91 115.59 1mux h THR 110 Ca 0.30 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1mux h THR 110 Cb -0.12 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 66.57 1mux h THR 110 CO -0.07 0.11 0.09 0.78 -0.25 0.00 0.00 175.52 176.18 1mux h ASN 111 N 0.58 0.19 0.31 5.36 2.35 -1.53 -1.42 115.58 121.43 1mux h ASN 111 Ca 0.29 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1mux h ASN 111 Cb 0.24 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1mux h ASN 111 CO -0.21 0.20 0.00 0.18 -1.65 0.00 0.00 177.43 175.95 1mux n LEU 112 N -4.94 0.51 -0.74 1.61 4.77 -0.91 -4.85 117.00 112.46 1mux n LEU 112 Ca -0.04 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1mux n LEU 112 Cb 0.06 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1mux n LEU 112 CO 0.34 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.30 1mux n GLY 113 N -0.73 0.52 3.00 -0.72 0.00 -0.53 -5.09 105.19 101.63 1mux n GLY 113 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1mux n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mux n GLU 114 N -0.74 0.73 -2.70 1.61 -0.58 -0.53 -5.01 120.64 113.43 1mux n GLU 114 Ca 0.00 -2.47 -0.06 0.00 -0.42 0.00 0.00 57.16 54.21 1mux n GLU 114 Cb 0.34 -0.08 0.07 0.00 -0.57 0.00 0.00 31.44 31.21 1mux n GLU 114 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1mux n LYS 115 N -1.87 1.26 -0.91 3.49 2.85 -1.26 -4.79 118.16 116.93 1mux n LYS 115 Ca 0.09 -2.56 -0.17 0.00 -1.05 0.00 0.00 58.31 54.62 1mux n LYS 115 Cb 0.47 -0.69 0.13 0.00 -0.65 0.00 0.00 35.03 34.29 1mux n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1mux n LEU 116 N -0.48 0.00 -4.29 -5.58 4.77 -1.26 -5.10 117.00 105.06 1mux n LEU 116 Ca 0.02 -0.78 -0.15 0.00 -0.03 0.00 0.00 56.01 55.06 1mux n LEU 116 Cb 0.83 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1mux n LEU 116 CO 0.08 -1.31 -0.25 -0.89 -1.33 0.00 0.00 177.39 173.69 1mux s THR 117 N -2.48 0.41 0.45 -5.08 2.01 -1.26 -5.02 115.64 104.67 1mux s THR 117 Ca 0.43 -2.00 0.20 0.00 0.31 0.00 0.00 61.69 60.63 1mux s THR 117 Cb -0.02 -2.60 0.39 0.00 0.01 0.00 0.00 72.50 70.28 1mux s THR 117 CO 0.31 0.00 1.90 0.44 -0.69 0.00 0.00 174.62 176.58 1mux h ASP 118 N 2.44 0.28 0.23 3.53 3.32 -1.99 -1.93 116.42 122.30 1mux h ASP 118 Ca -0.38 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1mux h ASP 118 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1mux h ASP 118 CO 0.59 0.13 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.79 1mux h GLU 119 N 0.29 -0.29 -0.11 3.56 5.08 -1.99 -2.35 114.58 118.77 1mux h GLU 119 Ca 0.41 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1mux h GLU 119 Cb 1.14 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1mux h GLU 119 CO -0.11 0.00 0.07 0.93 -1.00 0.00 0.00 179.01 178.90 1mux h GLU 120 N -0.59 0.15 0.06 2.33 5.08 -1.79 -1.88 114.58 117.94 1mux h GLU 120 Ca -0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1mux h GLU 120 Cb 0.43 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1mux h GLU 120 CO 0.05 0.13 -0.20 0.28 -1.00 0.00 0.00 179.01 178.26 1mux h VAL 121 N 0.12 0.53 -0.70 3.13 2.07 -1.42 -0.61 116.25 119.37 1mux h VAL 121 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1mux h VAL 121 Cb 0.02 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1mux h VAL 121 CO -0.01 0.00 0.46 -0.78 0.02 0.00 0.00 177.57 177.26 1mux h ASP 122 N -0.36 0.72 0.88 0.57 3.58 -1.36 -0.91 116.42 119.54 1mux h ASP 122 Ca 0.04 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1mux h ASP 122 Cb 0.41 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1mux h ASP 122 CO -0.15 0.49 -0.29 -0.08 -2.88 0.00 0.00 179.24 176.33 1mux h GLU 123 N 0.83 0.00 0.00 0.28 4.81 -0.63 -1.93 114.58 117.94 1mux h GLU 123 Ca 0.28 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1mux h GLU 123 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1mux h GLU 123 CO -0.08 0.29 -0.09 0.52 -0.73 0.00 0.00 179.01 178.92 1mux h MET 124 N 0.00 0.06 0.00 1.92 2.86 0.25 -2.43 114.93 117.58 1mux h MET 124 Ca -0.00 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1mux h MET 124 Cb 0.80 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1mux h MET 124 CO 0.04 0.87 -0.30 0.82 1.06 0.00 0.00 176.91 179.41 1mux h ILE 125 N -0.73 0.87 0.09 -1.22 1.08 -1.43 -2.59 117.51 113.57 1mux h ILE 125 Ca -0.01 -1.17 -0.29 0.00 -0.39 0.00 0.00 64.86 63.00 1mux h ILE 125 Cb 0.91 1.71 0.02 0.00 -3.07 0.00 0.00 36.82 36.39 1mux h ILE 125 CO 0.02 0.29 -1.18 0.03 -0.69 0.00 0.00 178.15 176.62 1mux h ARG 126 N 0.00 0.59 -0.05 2.37 2.47 -1.40 -0.83 114.38 117.53 1mux h ARG 126 Ca -0.00 -0.76 -0.11 0.00 -1.26 0.00 0.00 59.98 57.85 1mux h ARG 126 Cb 0.68 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 1mux h ARG 126 CO 0.04 1.33 -0.48 0.93 0.56 0.00 0.00 179.97 182.36 1mux h GLU 127 N 0.28 0.12 0.00 0.04 3.07 -1.32 -3.04 114.58 113.73 1mux h GLU 127 Ca -0.16 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 58.43 1mux h GLU 127 Cb 1.85 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.73 1mux h GLU 127 CO 0.22 0.57 -1.25 0.00 -1.40 0.00 0.00 179.01 177.15 1mux h ALA 128 N 1.42 0.63 -0.96 3.43 0.00 -1.50 -3.43 119.26 118.84 1mux h ALA 128 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 54.91 53.59 1mux h ALA 128 Cb 0.88 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1mux h ALA 128 CO 0.07 1.15 0.90 0.34 0.00 0.00 0.00 179.25 181.71 1mux s ASP 129 N -6.20 5.02 -0.05 0.00 2.15 -0.32 -4.79 116.67 112.47 1mux s ASP 129 Ca -0.01 -0.20 -0.25 0.00 0.43 0.00 0.00 52.55 52.52 1mux s ASP 129 Cb 0.09 -2.55 -0.23 0.00 -0.30 0.00 0.00 42.92 39.93 1mux s ASP 129 CO 0.81 -2.76 1.04 0.40 -0.17 0.00 0.00 175.17 174.49 1mux h ILE 130 N 7.21 1.55 0.00 4.11 2.04 -1.84 -3.19 117.51 127.39 1mux h ILE 130 Ca -0.04 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.93 1mux h ILE 130 Cb 1.07 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1mux h ILE 130 CO 1.19 0.51 0.00 -0.90 0.00 0.00 0.00 178.15 178.95 1mux n ASP 131 N -4.54 0.00 -3.30 1.72 5.68 -1.26 -4.91 116.55 109.94 1mux n ASP 131 Ca -0.10 0.08 -0.15 0.00 -0.50 0.00 0.00 54.79 54.12 1mux n ASP 131 Cb 0.48 -0.32 0.05 0.00 -1.14 0.00 0.00 41.12 40.19 1mux n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 132 N 0.42 -1.16 0.00 6.12 0.00 -1.21 -4.93 105.19 104.43 1mux n GLY 132 Ca 0.09 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.86 1.49 -1.22 1.61 5.75 -1.26 -4.99 116.55 115.06 1mux n ASP 133 Ca -0.07 -1.69 -0.07 0.00 -0.01 0.00 0.00 54.79 52.95 1mux n ASP 133 Cb 0.60 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.34 0.33 3.64 6.12 0.00 -1.26 -5.02 105.19 108.66 1mux n GLY 134 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 1mux n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mux s GLN 135 N -5.01 0.36 -0.25 1.61 -0.44 -1.26 -4.86 119.66 109.81 1mux s GLN 135 Ca 0.12 0.48 -0.05 0.00 -2.50 0.00 0.00 55.36 53.41 1mux s GLN 135 Cb -0.05 0.15 -0.00 0.00 -1.64 0.00 0.00 33.01 31.47 1mux s GLN 135 CO 0.15 -0.05 0.01 0.08 0.50 0.00 0.00 175.29 175.97 1mux s VAL 136 N 0.47 3.63 0.80 1.34 1.01 -1.07 -4.79 120.40 121.78 1mux s VAL 136 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1mux s VAL 136 Cb -0.05 -2.74 0.15 0.00 0.00 0.00 0.00 36.38 33.74 1mux s VAL 136 CO -0.10 0.30 1.11 0.21 0.00 0.00 0.00 175.10 176.61 1mux s ASN 137 N 1.49 3.97 0.15 3.32 2.47 -1.26 -1.97 114.94 123.11 1mux s ASN 137 Ca 0.04 -0.09 -0.15 0.00 0.42 0.00 0.00 52.86 53.09 1mux s ASN 137 Cb -0.15 -0.20 0.03 0.00 -1.45 0.00 0.00 41.25 39.47 1mux s ASN 137 CO -0.01 -2.14 1.76 0.22 -3.72 0.00 0.00 177.10 173.22 1mux h TYR 138 N -0.91 0.62 0.03 0.43 3.20 -1.98 -0.56 116.97 117.80 1mux h TYR 138 Ca -0.40 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.49 1mux h TYR 138 Cb 1.26 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1mux h TYR 138 CO -0.48 0.46 -0.33 1.49 -1.64 0.00 0.00 178.16 177.66 1mux h GLU 139 N 0.59 -0.48 0.00 1.82 4.81 -1.99 0.12 114.58 119.45 1mux h GLU 139 Ca 0.16 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1mux h GLU 139 Cb 0.05 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1mux h GLU 139 CO -0.03 -0.32 -0.08 0.93 -0.73 0.00 0.00 179.01 178.78 1mux h GLU 140 N -0.50 0.00 0.00 1.92 5.08 -1.87 -1.20 114.58 118.01 1mux h GLU 140 Ca 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1mux h GLU 140 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1mux h GLU 140 CO -0.26 0.08 -0.23 0.35 -1.00 0.00 0.00 179.01 177.96 1mux h PHE 141 N 0.00 0.00 0.00 4.33 3.04 0.80 -2.65 116.94 122.46 1mux h PHE 141 Ca -0.00 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1mux h PHE 141 Cb 0.31 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1mux h PHE 141 CO 0.00 0.23 -1.30 0.28 -2.02 0.00 0.00 178.31 175.49 1mux n VAL 142 N -3.24 1.04 0.09 1.41 0.31 0.04 -3.30 118.33 114.67 1mux n VAL 142 Ca 0.02 -0.65 -0.15 0.00 -0.01 0.00 0.00 64.34 63.55 1mux n VAL 142 Cb 0.53 -0.63 -0.14 0.00 -0.91 0.00 0.00 33.84 32.69 1mux n VAL 142 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1mux h GLN 143 N 0.00 0.23 0.00 5.55 1.08 -1.36 -2.94 115.11 117.66 1mux h GLN 143 Ca -0.12 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1mux h GLN 143 Cb 1.42 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 1mux h GLN 143 CO 0.03 1.17 -0.18 0.00 -0.95 0.00 0.00 178.83 178.91 1mux n MET 144 N -3.50 0.21 -0.05 1.46 0.00 -1.01 -1.74 117.12 112.49 1mux n MET 144 Ca -0.08 0.13 -0.21 0.00 0.00 0.00 0.00 57.70 57.55 1mux n MET 144 Cb 1.01 -1.71 -0.13 0.00 0.00 0.00 0.00 33.22 32.40 1mux n MET 144 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1mux h MET 145 N 0.00 0.11 0.00 3.17 2.86 -1.58 -3.43 114.93 116.07 1mux h MET 145 Ca 0.00 -0.20 -0.21 0.00 -2.06 0.00 0.00 59.70 57.24 1mux h MET 145 Cb 0.68 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1mux h MET 145 CO 0.00 1.09 -1.34 0.25 1.06 0.00 0.00 176.91 177.98 1mux n THR 146 N -4.17 1.50 -1.89 2.22 -2.24 -1.11 -5.00 114.28 103.60 1mux n THR 146 Ca -0.27 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1mux n THR 146 Cb 0.78 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1mux n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mux n ALA 147 N -3.74 0.00 -1.01 6.98 0.00 -0.71 -5.09 120.51 116.94 1mux n ALA 147 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1mux n ALA 147 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1mux n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13