#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 7.44 -4.22 0.00 -0.08 -1.26 -4.95 116.55 113.47 1mux n ASP 2 Ca 0.00 -3.71 -0.13 0.00 -1.51 0.00 0.00 54.79 49.44 1mux n ASP 2 Cb 0.00 -1.14 -0.10 0.00 2.34 0.00 0.00 41.12 42.22 1mux n ASP 2 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1mux s GLN 3 N -4.06 1.03 0.00 -0.67 0.74 -1.26 -5.11 119.66 110.34 1mux s GLN 3 Ca 0.45 -1.48 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1mux s GLN 3 Cb 0.29 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.14 1mux s GLN 3 CO -0.24 -0.10 0.23 1.28 -0.55 0.00 0.00 175.29 175.91 1mux n LEU 4 N -0.19 0.60 -3.82 3.68 4.77 -1.26 -5.04 117.00 115.74 1mux n LEU 4 Ca -0.08 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 1mux n LEU 4 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1mux n LEU 4 CO 0.32 0.00 0.75 0.28 -1.33 0.00 0.00 177.39 177.41 1mux s THR 5 N -0.45 0.00 0.21 -5.08 -1.32 -1.26 -5.02 115.64 102.71 1mux s THR 5 Ca 0.00 -0.66 0.20 0.00 -1.21 0.00 0.00 61.69 60.02 1mux s THR 5 Cb 0.00 -2.49 0.16 0.00 -1.51 0.00 0.00 72.50 68.66 1mux s THR 5 CO 0.00 0.00 1.79 1.05 -2.21 0.00 0.00 174.62 175.25 1mux h GLU 6 N 2.00 0.00 -0.86 7.08 4.11 -2.01 -3.14 114.58 121.76 1mux h GLU 6 Ca -0.26 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.37 1mux h GLU 6 Cb 1.23 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.36 1mux h GLU 6 CO 0.32 0.33 0.34 0.93 0.07 0.00 0.00 179.01 181.00 1mux h GLU 7 N 0.00 0.36 -0.81 1.06 4.39 -1.99 0.26 114.58 117.86 1mux h GLU 7 Ca -0.00 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1mux h GLU 7 Cb 0.80 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1mux h GLU 7 CO 0.04 0.24 0.53 0.37 -1.16 0.00 0.00 179.01 179.03 1mux h GLN 8 N 0.38 1.03 -0.62 2.33 5.75 -1.97 -1.24 115.11 120.77 1mux h GLN 8 Ca 0.52 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.94 1mux h GLN 8 Cb 0.97 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 1mux h GLN 8 CO -0.52 0.68 0.31 0.82 -2.65 0.00 0.00 178.83 177.47 1mux h ILE 9 N 1.06 1.20 -0.00 2.39 1.08 -0.67 -1.59 117.51 120.98 1mux h ILE 9 Ca 0.31 -0.53 -0.11 0.00 -0.39 0.00 0.00 64.86 64.14 1mux h ILE 9 Cb -0.08 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1mux h ILE 9 CO -0.08 0.23 -0.51 0.00 -0.69 0.00 0.00 178.15 177.09 1mux h ALA 10 N 1.48 1.15 -0.20 1.87 0.00 -0.39 -2.52 119.26 120.65 1mux h ALA 10 Ca 0.22 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1mux h ALA 10 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1mux h ALA 10 CO -0.03 0.64 0.04 1.49 0.00 0.00 0.00 179.25 181.39 1mux h GLU 11 N 0.00 0.32 -0.02 0.00 4.81 -0.26 -1.90 114.58 117.53 1mux h GLU 11 Ca -0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mux h GLU 11 Cb 0.91 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1mux h GLU 11 CO 0.07 0.45 0.00 0.74 -0.73 0.00 0.00 179.01 179.54 1mux h PHE 12 N 0.13 0.04 -1.00 0.92 0.04 -1.42 -2.78 116.94 112.87 1mux h PHE 12 Ca 0.06 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.97 1mux h PHE 12 Cb 0.28 -0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.33 1mux h PHE 12 CO 0.01 0.29 0.62 0.87 -0.60 0.00 0.00 178.31 179.50 1mux h LYS 13 N -0.22 0.88 0.29 1.51 1.57 -1.44 -1.87 116.57 117.30 1mux h LYS 13 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1mux h LYS 13 Cb 0.27 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1mux h LYS 13 CO 0.00 0.58 -0.17 1.49 -0.57 0.00 0.00 179.45 180.79 1mux h GLU 14 N 0.91 -0.42 -0.97 3.15 4.81 -1.14 -1.77 114.58 119.16 1mux h GLU 14 Ca 0.52 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.99 1mux h GLU 14 Cb 0.63 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.02 1mux h GLU 14 CO -0.31 -0.28 0.62 0.00 -0.73 0.00 0.00 179.01 178.31 1mux h ALA 15 N 0.27 2.03 -0.60 2.92 0.00 -1.09 0.23 119.26 123.02 1mux h ALA 15 Ca -0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1mux h ALA 15 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1mux h ALA 15 CO 0.04 -0.37 0.01 0.35 0.00 0.00 0.00 179.25 179.28 1mux h PHE 16 N 0.53 1.14 0.00 0.00 3.57 -0.88 -1.98 116.94 119.32 1mux h PHE 16 Ca 0.53 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1mux h PHE 16 Cb 1.14 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1mux h PHE 16 CO -0.00 1.00 -0.04 1.03 -2.23 0.00 0.00 178.31 178.06 1mux h SER 17 N 0.96 0.00 0.21 0.41 0.87 0.25 -2.12 113.55 114.14 1mux h SER 17 Ca 0.17 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.45 1mux h SER 17 Cb 0.54 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1mux h SER 17 CO 0.03 0.04 -1.25 0.25 -0.53 0.00 0.00 176.83 175.38 1mux h LEU 18 N 0.00 0.73 -0.33 2.23 6.46 -0.69 -3.34 115.31 120.37 1mux h LEU 18 Ca -0.00 -0.92 -0.12 0.00 -0.12 0.00 0.00 57.88 56.72 1mux h LEU 18 Cb 0.32 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1mux h LEU 18 CO 0.01 1.60 -0.26 -0.26 -0.62 0.00 0.00 178.44 178.91 1mux h PHE 19 N -0.01 0.91 -2.42 1.25 0.04 -1.14 -3.39 116.94 112.17 1mux h PHE 19 Ca -0.22 -0.25 -0.54 0.00 2.80 0.00 0.00 57.97 59.76 1mux h PHE 19 Cb 1.98 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 39.86 1mux h PHE 19 CO 0.15 1.01 1.10 0.34 -0.60 0.00 0.00 178.31 180.31 1mux s ASP 20 N -6.57 6.06 -0.04 2.17 2.15 -0.83 -4.56 116.67 115.06 1mux s ASP 20 Ca -0.12 -0.23 0.20 0.00 0.43 0.00 0.00 52.55 52.83 1mux s ASP 20 Cb 0.09 -2.55 -0.31 0.00 -0.30 0.00 0.00 42.92 39.85 1mux s ASP 20 CO 0.84 -1.87 0.42 0.29 -0.17 0.00 0.00 175.17 174.67 1mux n LYS 21 N 9.21 0.64 0.02 4.34 5.02 -1.26 -4.43 118.16 131.69 1mux n LYS 21 Ca 0.07 -0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 1mux n LYS 21 Cb 0.49 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.14 -0.85 4.39 2.03 -1.97 -3.49 116.42 116.67 1mux h ASP 22 Ca -0.04 -0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1mux h ASP 22 Cb 1.02 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1mux h ASP 22 CO 0.00 1.20 0.00 0.61 -1.03 0.00 0.00 179.24 180.02 1mux n GLY 23 N 1.58 0.32 0.00 7.15 0.00 -1.26 -5.07 105.19 107.90 1mux n GLY 23 Ca -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.14 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.47 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 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.06 0.85 3.33 6.12 0.00 -1.26 -5.06 105.19 109.22 1mux n GLY 25 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 -0.02 -0.40 2.61 -4.23 -1.26 -3.62 115.64 106.73 1mux s THR 26 Ca 0.00 0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.40 1mux s THR 26 Cb 0.00 -0.66 0.01 0.00 1.34 0.00 0.00 72.50 73.19 1mux s THR 26 CO 0.00 0.03 0.47 -0.63 -0.54 0.00 0.00 174.62 173.94 1mux s ILE 27 N 1.16 5.05 0.21 2.99 1.01 -0.85 -4.91 121.20 125.86 1mux s ILE 27 Ca -0.07 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1mux s ILE 27 Cb -0.07 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1mux s ILE 27 CO -0.10 -0.35 0.20 1.07 0.00 0.00 0.00 174.94 175.76 1mux n THR 28 N 5.46 0.00 0.24 2.92 5.66 -1.26 -2.19 114.28 125.11 1mux n THR 28 Ca -0.06 -0.80 0.13 0.00 -3.05 0.00 0.00 64.05 60.27 1mux n THR 28 Cb 0.48 -0.49 0.54 0.00 -1.55 0.00 0.00 70.33 69.32 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1mux h THR 29 N 0.39 0.34 0.61 1.09 1.35 -1.98 -2.66 112.91 112.06 1mux h THR 29 Ca -0.12 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.83 1mux h THR 29 Cb 0.48 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1mux h THR 29 CO 0.19 0.13 -0.29 0.11 -0.25 0.00 0.00 175.52 175.41 1mux h LYS 30 N 0.00 -0.79 0.84 4.72 1.57 -1.96 0.32 116.57 121.28 1mux h LYS 30 Ca -0.00 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1mux h LYS 30 Cb 0.65 0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1mux h LYS 30 CO 0.02 -0.52 -0.42 0.93 -0.57 0.00 0.00 179.45 178.88 1mux h GLU 31 N -1.21 -1.11 -0.79 3.15 5.08 -1.87 -1.95 114.58 115.88 1mux h GLU 31 Ca -0.08 0.08 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 1mux h GLU 31 Cb 0.63 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1mux h GLU 31 CO 0.14 -0.74 0.56 1.25 -1.00 0.00 0.00 179.01 179.22 1mux h LEU 32 N -1.15 0.08 -0.14 1.33 5.85 -1.59 0.07 115.31 119.76 1mux h LEU 32 Ca -0.11 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1mux h LEU 32 Cb 0.89 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1mux h LEU 32 CO 0.18 0.03 0.04 1.23 -0.34 0.00 0.00 178.44 179.59 1mux h GLY 33 N 0.08 0.16 2.00 3.75 0.00 -0.13 -1.23 103.07 107.70 1mux h GLY 33 Ca 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1mux h GLY 33 CO -0.04 0.02 -0.19 -0.84 0.00 0.00 0.00 176.54 175.49 1mux h THR 34 N 0.11 0.49 -0.10 4.70 2.02 -0.74 -1.50 112.91 117.90 1mux h THR 34 Ca 0.06 -0.99 -0.14 0.00 0.77 0.00 0.00 66.41 66.11 1mux h THR 34 Cb 0.04 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1mux h THR 34 CO -0.06 0.19 -0.56 0.58 0.37 0.00 0.00 175.52 176.03 1mux h VAL 35 N 0.00 1.36 0.00 3.16 2.07 -0.46 -0.16 116.25 122.22 1mux h VAL 35 Ca -0.00 -1.87 -0.13 0.00 0.82 0.00 0.00 66.70 65.52 1mux h VAL 35 Cb 0.67 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1mux h VAL 35 CO 0.02 0.56 -1.36 0.23 0.02 0.00 0.00 177.57 177.04 1mux n MET 36 N -3.91 0.62 0.06 1.57 2.81 -0.57 -2.91 117.12 114.79 1mux n MET 36 Ca -0.02 0.18 0.12 0.00 -1.81 0.00 0.00 57.70 56.16 1mux n MET 36 Cb 0.59 -1.79 0.12 0.00 -0.71 0.00 0.00 33.22 31.43 1mux n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1mux h ARG 37 N 0.00 0.00 0.02 0.03 2.43 -1.25 -1.92 114.38 113.69 1mux h ARG 37 Ca -0.13 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.65 1mux h ARG 37 Cb 1.44 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.93 1mux h ARG 37 CO 0.03 0.00 -2.28 0.45 -1.51 0.00 0.00 179.97 176.66 1mux n SER 38 N -2.15 1.99 -3.26 -3.80 2.88 -0.08 -4.31 113.62 104.89 1mux n SER 38 Ca 0.03 0.12 -0.29 0.00 -1.33 0.00 0.00 58.87 57.40 1mux n SER 38 Cb 0.45 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 63.19 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 -3.72 4.49 0.00 2.46 4.32 -1.14 -4.75 117.00 118.66 1mux n LEU 39 Ca -0.45 -5.54 0.00 0.00 -0.02 0.00 0.00 56.01 50.01 1mux n LEU 39 Cb 0.94 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1mux n LEU 39 CO 0.21 2.17 0.00 0.61 -1.22 0.00 0.00 177.39 179.16 1mux n GLY 40 N 0.33 0.15 3.72 -0.72 0.00 -1.23 -4.80 105.19 102.63 1mux n GLY 40 Ca 0.31 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 2.59 0.00 1.61 0.00 -0.72 -4.43 117.38 116.43 1mux n GLN 41 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 57.00 57.93 1mux n GLN 41 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 27.53 1mux n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1mux n ASN 42 N 2.85 0.00 -3.00 1.69 3.02 -1.26 -5.01 115.26 113.55 1mux n ASN 42 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1mux n ASN 42 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1mux n PRO 43 N 0.00 0.32 0.00 3.52 -0.04 -1.26 -5.10 135.00 132.44 1mux n PRO 43 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mux n PRO 43 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1mux n PRO 43 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1mux n THR 44 N -1.16 0.00 -0.12 0.52 5.66 -1.26 -4.94 114.28 112.98 1mux n THR 44 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1mux n THR 44 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1mux n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mux n GLU 45 N 0.00 0.60 0.03 1.09 1.02 -1.26 -3.84 120.64 118.29 1mux n GLU 45 Ca 0.00 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.26 1mux n GLU 45 Cb 0.00 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mux h ALA 46 N -0.02 -0.31 -0.82 0.62 0.00 -1.99 -2.22 119.26 114.53 1mux h ALA 46 Ca -0.54 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.53 1mux h ALA 46 Cb 1.83 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.55 1mux h ALA 46 CO -0.09 -0.30 0.30 1.49 0.00 0.00 0.00 179.25 180.65 1mux h GLU 47 N -0.32 0.35 -0.52 0.00 4.81 -1.97 0.22 114.58 117.16 1mux h GLU 47 Ca -0.01 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1mux h GLU 47 Cb 0.08 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1mux h GLU 47 CO 0.02 0.23 0.20 1.25 -0.73 0.00 0.00 179.01 179.98 1mux h LEU 48 N 0.36 0.22 -0.90 1.64 6.46 -1.66 -0.29 115.31 121.14 1mux h LEU 48 Ca 0.48 0.06 0.17 0.00 -0.12 0.00 0.00 57.88 58.48 1mux h LEU 48 Cb 0.85 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 40.71 1mux h LEU 48 CO -0.50 0.15 0.48 -0.61 -0.62 0.00 0.00 178.44 177.33 1mux h GLN 49 N 0.39 0.60 -0.57 1.25 4.15 0.09 0.14 115.11 121.15 1mux h GLN 49 Ca 0.25 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1mux h GLN 49 Cb 0.25 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1mux h GLN 49 CO -0.24 0.39 0.27 0.22 -1.93 0.00 0.00 178.83 177.54 1mux h ASP 50 N 0.61 0.75 0.10 -0.69 3.58 -0.71 -1.14 116.42 118.92 1mux h ASP 50 Ca 0.52 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 1mux h ASP 50 Cb 0.81 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 1mux h ASP 50 CO -0.40 0.67 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.58 1mux h MET 51 N 0.77 0.00 0.00 0.28 4.05 -0.12 -0.72 114.93 119.20 1mux h MET 51 Ca 0.19 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.45 1mux h MET 51 Cb 0.13 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1mux h MET 51 CO -0.02 0.02 -0.99 0.82 0.23 0.00 0.00 176.91 176.96 1mux h ILE 52 N 0.00 0.91 0.00 1.77 2.04 -0.28 -3.26 117.51 118.69 1mux h ILE 52 Ca -0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1mux h ILE 52 Cb 0.07 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1mux h ILE 52 CO 0.00 0.52 0.00 0.78 0.00 0.00 0.00 178.15 179.45 1mux h ASN 53 N 0.00 0.00 1.27 1.72 4.21 -0.40 -0.98 115.58 121.40 1mux h ASN 53 Ca -0.08 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.34 1mux h ASN 53 Cb 1.58 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.76 1mux h ASN 53 CO 0.07 0.00 -0.77 1.05 -1.29 0.00 0.00 177.43 176.50 1mux h GLU 54 N 0.00 0.00 0.00 0.81 -0.00 -1.60 -3.40 114.58 110.40 1mux h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1mux h GLU 54 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 1mux h GLU 54 CO 0.00 0.30 -0.41 0.28 -0.00 0.00 0.00 179.01 179.18 1mux n VAL 55 N -3.03 0.90 -1.57 -1.06 0.31 -0.70 -4.84 118.33 108.34 1mux n VAL 55 Ca -0.01 0.31 -0.47 0.00 -0.01 0.00 0.00 64.34 64.15 1mux n VAL 55 Cb 0.71 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 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 -3.73 2.91 -2.62 4.52 -0.08 -0.45 -4.83 116.55 112.26 1mux n ASP 56 Ca -0.06 0.51 -0.37 0.00 -1.51 0.00 0.00 54.79 53.37 1mux n ASP 56 Cb 0.21 -1.39 0.05 0.00 2.34 0.00 0.00 41.12 42.33 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 9.52 6.32 0.00 -1.67 0.00 -1.26 -4.45 120.51 128.96 1mux n ALA 57 Ca 0.32 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1mux n ALA 57 Cb 0.32 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1mux n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mux n ASP 58 N -0.70 0.70 0.00 0.00 9.92 -1.26 -5.07 116.55 120.14 1mux n ASP 58 Ca 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1mux n ASP 58 Cb 0.46 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mux n GLY 59 N 2.59 1.14 0.00 0.44 0.00 -1.26 -5.02 105.19 103.08 1mux n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mux n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mux n ASN 60 N 0.00 3.35 0.00 1.61 6.94 -1.26 -5.03 115.26 120.87 1mux n ASN 60 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1mux n ASN 60 Cb 0.00 0.73 0.00 0.00 -2.36 0.00 0.00 39.78 38.15 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 61 N 1.74 0.78 3.25 4.83 0.00 -1.26 -5.08 105.19 109.45 1mux n GLY 61 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.07 -0.19 2.61 -4.23 -1.26 -4.31 115.64 106.33 1mux s THR 62 Ca 0.00 -0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 1mux s THR 62 Cb 0.00 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1mux s THR 62 CO 0.00 -0.31 0.12 -0.63 -0.54 0.00 0.00 174.62 173.26 1mux s ILE 63 N -1.92 5.32 0.00 2.99 1.01 -0.93 -4.90 121.20 122.77 1mux s ILE 63 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1mux s ILE 63 Cb -0.03 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1mux s ILE 63 CO 0.01 0.46 0.00 0.47 0.00 0.00 0.00 174.94 175.88 1mux n ASP 64 N 3.38 -0.24 0.05 3.58 9.92 -1.26 -2.00 116.55 129.98 1mux n ASP 64 Ca -0.16 -0.79 -0.20 0.00 -0.53 0.00 0.00 54.79 53.11 1mux n ASP 64 Cb 0.52 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.86 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1mux h PHE 65 N -1.04 0.57 0.00 1.24 3.04 -1.99 -2.98 116.94 115.77 1mux h PHE 65 Ca 0.00 -0.42 -0.10 0.00 3.98 0.00 0.00 57.97 61.43 1mux h PHE 65 Cb 0.00 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1mux h PHE 65 CO 0.00 1.33 -0.49 -1.00 -2.02 0.00 0.00 178.31 176.13 1mux h PRO 66 N -0.34 0.00 -0.01 6.41 0.13 -1.94 -2.63 132.00 133.61 1mux h PRO 66 Ca -0.15 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.83 1mux h PRO 66 Cb 1.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.79 1mux h PRO 66 CO 0.16 0.49 -0.66 1.49 -0.23 0.00 0.00 178.00 179.25 1mux h GLU 67 N 0.00 0.07 -0.12 0.86 4.81 -1.94 0.78 114.58 119.04 1mux h GLU 67 Ca -0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1mux h GLU 67 Cb 1.09 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1mux h GLU 67 CO 0.06 0.70 -0.30 0.35 -0.73 0.00 0.00 179.01 179.09 1mux h PHE 68 N 0.05 0.53 0.00 0.92 3.57 -1.35 -2.01 116.94 118.66 1mux h PHE 68 Ca -0.01 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1mux h PHE 68 Cb 1.17 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1mux h PHE 68 CO 0.01 0.92 0.00 1.25 -2.23 0.00 0.00 178.31 178.26 1mux h LEU 69 N -0.00 0.00 0.00 0.59 5.85 -1.43 -2.82 115.31 117.49 1mux h LEU 69 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1mux h LEU 69 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1mux h LEU 69 CO 0.07 0.00 -0.89 0.74 -0.34 0.00 0.00 178.44 178.02 1mux h THR 70 N 0.00 0.28 0.09 1.05 2.02 -0.70 -2.90 112.91 112.76 1mux h THR 70 Ca 0.00 -1.49 -0.35 0.00 0.77 0.00 0.00 66.41 65.34 1mux h THR 70 Cb 0.68 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1mux h THR 70 CO 0.00 0.16 -1.94 1.15 0.37 0.00 0.00 175.52 175.26 1mux n MET 71 N -2.90 0.73 -0.03 6.66 0.00 -0.77 -3.87 117.12 116.95 1mux n MET 71 Ca -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 57.70 57.93 1mux n MET 71 Cb 0.66 -1.72 -0.01 0.00 0.00 0.00 0.00 33.22 32.15 1mux n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1mux n MET 72 N -3.36 0.20 0.05 3.17 2.00 -1.07 -4.30 117.12 113.81 1mux n MET 72 Ca -0.29 0.37 0.04 0.00 0.00 0.00 0.00 57.70 57.83 1mux n MET 72 Cb 1.05 -1.16 0.21 0.00 0.00 0.00 0.00 33.22 33.32 1mux n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mux n ALA 73 N -2.86 1.06 -1.03 3.04 0.00 -1.10 -2.38 120.51 117.25 1mux n ALA 73 Ca -0.03 0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 1mux n ALA 73 Cb 0.12 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.55 1mux n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mux n ARG 74 N -1.76 2.23 -1.50 0.00 0.63 -1.21 -4.95 116.66 110.10 1mux n ARG 74 Ca -0.00 -2.60 -0.43 0.00 -0.92 0.00 0.00 57.85 53.89 1mux n ARG 74 Cb 0.03 -2.02 -0.07 0.00 0.45 0.00 0.00 32.46 30.85 1mux n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1mux n LYS 75 N -0.65 0.92 -3.40 -0.14 4.81 -1.00 -4.85 118.16 113.84 1mux n LYS 75 Ca 0.51 0.15 -0.23 0.00 -0.87 0.00 0.00 58.31 57.87 1mux n LYS 75 Cb 1.01 -2.65 -0.10 0.00 0.02 0.00 0.00 35.03 33.31 1mux n LYS 75 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1mux s MET 76 N 7.45 0.62 0.00 1.64 1.75 -1.26 -4.97 119.30 124.53 1mux s MET 76 Ca 1.10 -1.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.40 1mux s MET 76 Cb -0.68 -1.01 0.00 0.00 2.84 0.00 0.00 34.83 35.99 1mux s MET 76 CO 0.41 -1.22 0.00 1.17 -0.65 0.00 0.00 175.02 174.73 1mux n LYS 77 N 4.06 0.00 -3.03 4.11 4.81 -1.26 -5.03 118.16 121.81 1mux n LYS 77 Ca 0.13 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.39 1mux n LYS 77 Cb 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.45 1mux n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1mux n ASP 78 N 0.00 1.64 0.00 3.14 -0.08 -1.26 -4.88 116.55 115.11 1mux n ASP 78 Ca 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 1mux n ASP 78 Cb 0.00 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1mux n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1mux n THR 79 N 0.11 0.00 0.12 5.18 -2.24 -1.26 -5.04 114.28 111.15 1mux n THR 79 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1mux n THR 79 Cb 0.65 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.88 -1.15 -4.66 3.42 -0.08 -1.26 -5.07 116.55 104.86 1mux n ASP 80 Ca 0.00 0.43 -0.42 0.00 -1.51 0.00 0.00 54.79 53.29 1mux n ASP 80 Cb 0.49 1.23 -0.03 0.00 2.34 0.00 0.00 41.12 45.15 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 -3.86 6.66 0.00 1.67 1.04 -1.26 -4.85 113.70 113.10 1mux s SER 81 Ca 0.00 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1mux s SER 81 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1mux s SER 81 CO 0.00 -0.92 0.00 -1.84 0.98 0.00 0.00 173.24 171.46 1mux n GLU 82 N 6.98 0.00 -3.19 4.02 0.28 -1.26 -4.63 120.64 122.84 1mux n GLU 82 Ca 0.17 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1mux n GLU 82 Cb 0.43 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.29 1mux n GLU 82 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1mux s GLU 83 N 3.01 0.72 0.13 3.44 0.41 -1.26 -5.02 118.70 120.13 1mux s GLU 83 Ca 0.00 0.05 -0.03 0.00 -0.41 0.00 0.00 54.97 54.58 1mux s GLU 83 Cb 0.00 0.16 -0.11 0.00 -1.78 0.00 0.00 34.13 32.40 1mux s GLU 83 CO 0.00 -1.14 1.29 1.49 -0.49 0.00 0.00 175.26 176.41 1mux h GLU 84 N 7.39 0.35 -0.80 1.61 4.57 -1.99 -3.28 114.58 122.42 1mux h GLU 84 Ca 0.03 -0.40 0.16 0.00 -1.18 0.00 0.00 59.36 57.97 1mux h GLU 84 Cb 1.18 0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 29.79 1mux h GLU 84 CO 0.12 1.10 0.32 0.82 -1.18 0.00 0.00 179.01 180.19 1mux h ILE 85 N 0.18 0.60 -0.73 2.32 2.04 -2.00 -0.29 117.51 119.63 1mux h ILE 85 Ca -0.08 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1mux h ILE 85 Cb 1.63 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1mux h ILE 85 CO 0.16 0.08 0.43 -0.09 0.00 0.00 0.00 178.15 178.74 1mux h ARG 86 N 0.44 0.78 -0.58 2.37 2.43 -2.00 -2.20 114.38 115.62 1mux h ARG 86 Ca 0.46 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.53 1mux h ARG 86 Cb 0.75 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1mux h ARG 86 CO -0.44 0.52 0.17 0.93 -1.51 0.00 0.00 179.97 179.63 1mux h GLU 87 N 0.81 0.88 0.79 0.20 5.08 -1.19 -2.66 114.58 118.49 1mux h GLU 87 Ca 0.32 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1mux h GLU 87 Cb 0.15 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1mux h GLU 87 CO -0.17 0.77 -0.38 0.00 -1.00 0.00 0.00 179.01 178.24 1mux h ALA 88 N 1.33 -1.06 -0.93 3.43 0.00 -0.97 -2.67 119.26 118.40 1mux h ALA 88 Ca 0.19 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1mux h ALA 88 Cb 0.26 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1mux h ALA 88 CO -0.01 -0.98 0.62 0.35 0.00 0.00 0.00 179.25 179.23 1mux h PHE 89 N -1.28 0.46 -0.34 0.00 3.57 -1.50 -0.41 116.94 117.44 1mux h PHE 89 Ca -0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1mux h PHE 89 Cb 0.81 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1mux h PHE 89 CO 0.00 0.11 0.09 -0.09 -2.23 0.00 0.00 178.31 176.19 1mux h ARG 90 N 0.33 0.54 0.00 1.11 1.12 -1.32 -0.84 114.38 115.32 1mux h ARG 90 Ca 0.48 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 1mux h ARG 90 Cb 1.32 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 1mux h ARG 90 CO -0.17 0.58 0.00 1.33 -3.11 0.00 0.00 179.97 178.61 1mux n VAL 91 N -4.64 0.65 0.63 0.20 0.24 -0.30 -3.01 118.33 112.09 1mux n VAL 91 Ca -0.01 -0.15 0.11 0.00 -2.04 0.00 0.00 64.34 62.25 1mux n VAL 91 Cb 0.19 -0.74 0.04 0.00 -1.47 0.00 0.00 33.84 31.86 1mux n VAL 91 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1mux n PHE 92 N -2.25 0.24 -2.70 6.34 3.72 -0.39 -4.36 117.46 118.06 1mux n PHE 92 Ca 0.05 0.07 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 1mux n PHE 92 Cb 0.38 -0.40 -0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1mux n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1mux n ASP 93 N -1.90 6.31 -0.17 4.37 2.03 -0.36 -4.65 116.55 122.19 1mux n ASP 93 Ca 0.02 -3.70 -0.08 0.00 0.52 0.00 0.00 54.79 51.55 1mux n ASP 93 Cb 0.42 -0.93 0.01 0.00 -0.72 0.00 0.00 41.12 39.89 1mux n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1mux h LYS 94 N 3.68 0.73 0.00 -0.67 1.57 -1.76 -2.54 116.57 117.58 1mux h LYS 94 Ca 0.39 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1mux h LYS 94 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1mux h LYS 94 CO 1.06 0.67 -0.31 0.38 -0.57 0.00 0.00 179.45 180.68 1mux h ASP 95 N 0.64 0.00 0.00 0.86 2.03 -1.95 -3.46 116.42 114.53 1mux h ASP 95 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1mux h ASP 95 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1mux h ASP 95 CO -0.01 0.31 0.00 0.61 -1.03 0.00 0.00 179.24 179.12 1mux n GLY 96 N -0.19 0.72 0.24 7.15 0.00 -0.96 -4.93 105.19 107.22 1mux n GLY 96 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1mux n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1mux h ASN 97 N 0.00 0.01 0.00 1.61 -1.07 -1.90 -3.46 115.58 110.77 1mux h ASN 97 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1mux h ASN 97 Cb 0.00 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1mux h ASN 97 CO 0.00 0.13 0.00 0.61 0.07 0.00 0.00 177.43 178.24 1mux n GLY 98 N -1.18 1.08 3.14 9.14 0.00 -1.26 -5.10 105.19 111.01 1mux n GLY 98 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 0.70 -0.21 1.61 2.02 -1.26 -4.64 117.35 113.57 1mux s TYR 99 Ca 0.00 -1.14 -0.10 0.00 -0.37 0.00 0.00 57.07 55.46 1mux s TYR 99 Cb 0.00 -0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 41.09 1mux s TYR 99 CO 0.00 -0.48 0.13 0.42 -1.57 0.00 0.00 175.55 174.05 1mux s ILE 100 N -3.99 5.39 0.05 2.71 1.01 -0.92 -4.71 121.20 120.73 1mux s ILE 100 Ca 0.17 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1mux s ILE 100 Cb 0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1mux s ILE 100 CO -0.03 0.43 -0.05 -0.55 0.00 0.00 0.00 174.94 174.74 1mux s SER 101 N 0.46 4.75 0.23 3.58 0.15 -1.26 -2.69 113.70 118.92 1mux s SER 101 Ca 0.08 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.48 1mux s SER 101 Cb -0.11 -1.09 0.40 0.00 -1.71 0.00 0.00 66.02 63.51 1mux s SER 101 CO -0.01 0.23 1.72 0.00 1.20 0.00 0.00 173.24 176.37 1mux h ALA 102 N 3.98 0.93 -0.23 5.45 0.00 -1.96 -1.55 119.26 125.89 1mux h ALA 102 Ca -0.48 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1mux h ALA 102 Cb 1.17 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1mux h ALA 102 CO 0.56 -0.26 -0.36 0.00 0.00 0.00 0.00 179.25 179.19 1mux h ALA 103 N 1.53 -0.38 -0.06 0.00 0.00 -2.00 0.41 119.26 118.77 1mux h ALA 103 Ca 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1mux h ALA 103 Cb 0.58 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1mux h ALA 103 CO -0.42 -0.81 -0.03 0.93 0.00 0.00 0.00 179.25 178.92 1mux h GLU 104 N -0.37 0.08 -0.64 0.00 5.08 -1.72 -2.25 114.58 114.76 1mux h GLU 104 Ca 0.12 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1mux h GLU 104 Cb 0.57 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1mux h GLU 104 CO -0.43 0.12 0.39 1.25 -1.00 0.00 0.00 179.01 179.33 1mux h LEU 105 N 0.08 0.63 -0.21 1.33 5.85 0.02 -1.66 115.31 121.34 1mux h LEU 105 Ca 0.02 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1mux h LEU 105 Cb 0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1mux h LEU 105 CO 0.00 0.43 -0.73 -0.09 -0.34 0.00 0.00 178.44 177.72 1mux h ARG 106 N 0.76 0.00 0.00 1.25 2.43 -1.04 -2.28 114.38 115.49 1mux h ARG 106 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1mux h ARG 106 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1mux h ARG 106 CO -0.11 0.73 0.00 1.25 -1.51 0.00 0.00 179.97 180.32 1mux h HIS 107 N 0.00 0.00 0.00 2.20 2.76 -0.82 -2.35 115.15 116.94 1mux h HIS 107 Ca -0.01 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.94 1mux h HIS 107 Cb 1.46 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.38 1mux h HIS 107 CO 0.00 0.00 -2.15 0.28 -1.30 0.00 0.00 177.93 174.76 1mux n VAL 108 N -3.00 0.84 0.16 5.26 0.31 -0.69 -3.91 118.33 117.30 1mux n VAL 108 Ca 0.01 -0.67 0.05 0.00 -0.01 0.00 0.00 64.34 63.71 1mux n VAL 108 Cb 0.30 -0.32 0.13 0.00 -0.91 0.00 0.00 33.84 33.04 1mux n VAL 108 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1mux h MET 109 N 0.00 0.00 0.00 5.55 2.07 -1.30 -2.83 114.93 118.42 1mux h MET 109 Ca -0.33 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.30 1mux h MET 109 Cb 1.73 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.46 1mux h MET 109 CO 0.02 0.41 -0.82 2.41 1.07 0.00 0.00 176.91 180.00 1mux n THR 110 N -3.27 0.32 -0.03 2.22 -1.04 -0.89 -1.78 114.28 109.80 1mux n THR 110 Ca 0.02 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 1mux n THR 110 Cb 0.65 -0.04 -0.13 0.00 -1.82 0.00 0.00 70.33 68.99 1mux n THR 110 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1mux n ASN 111 N -2.12 2.04 -0.16 8.00 4.13 -1.20 -4.26 115.26 121.68 1mux n ASN 111 Ca 0.02 0.28 -0.07 0.00 1.68 0.00 0.00 54.58 56.50 1mux n ASN 111 Cb 0.45 -0.90 0.02 0.00 -1.54 0.00 0.00 39.78 37.81 1mux n ASN 111 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1mux h LEU 112 N -0.29 0.54 0.00 3.41 3.38 -1.67 -3.46 115.31 117.21 1mux h LEU 112 Ca -0.40 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1mux h LEU 112 Cb 1.79 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1mux h LEU 112 CO -0.01 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1mux n GLY 113 N -1.23 0.16 2.81 0.83 0.00 -1.25 -5.14 105.19 101.37 1mux n GLY 113 Ca 0.02 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.42 -0.38 1.61 0.41 -0.73 -5.06 118.70 114.97 1mux s GLU 114 Ca 0.00 0.08 -0.20 0.00 -0.41 0.00 0.00 54.97 54.44 1mux s GLU 114 Cb 0.00 -0.64 0.01 0.00 -1.78 0.00 0.00 34.13 31.71 1mux s GLU 114 CO 0.00 -0.18 0.59 0.15 -0.49 0.00 0.00 175.26 175.33 1mux s LYS 115 N 1.30 3.50 0.00 1.61 3.01 -1.26 -4.11 119.74 123.79 1mux s LYS 115 Ca -0.06 -0.20 0.00 0.00 -1.01 0.00 0.00 55.97 54.71 1mux s LYS 115 Cb -0.13 -3.86 0.00 0.00 -1.01 0.00 0.00 37.83 32.82 1mux s LYS 115 CO -0.02 -0.80 0.00 1.28 0.51 0.00 0.00 175.35 176.32 1mux n LEU 116 N 6.00 0.00 -4.03 3.17 4.32 -1.26 -5.14 117.00 120.05 1mux n LEU 116 Ca -0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.87 1mux n LEU 116 Cb 0.48 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.20 1mux n LEU 116 CO 0.49 0.00 -0.13 0.28 -1.22 0.00 0.00 177.39 176.81 1mux s THR 117 N -1.30 0.09 0.55 -5.08 -1.32 -1.26 -5.02 115.64 102.29 1mux s THR 117 Ca 0.00 -1.58 0.27 0.00 -1.21 0.00 0.00 61.69 59.17 1mux s THR 117 Cb 0.00 -1.88 0.41 0.00 -1.51 0.00 0.00 72.50 69.51 1mux s THR 117 CO 0.00 -0.39 1.97 0.44 -2.21 0.00 0.00 174.62 174.42 1mux h ASP 118 N 2.69 0.00 0.09 8.08 3.32 -2.02 -2.15 116.42 126.42 1mux h ASP 118 Ca -0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1mux h ASP 118 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1mux h ASP 118 CO 0.53 0.00 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.68 1mux h GLU 119 N 0.00 -0.12 0.13 3.56 5.08 -1.99 -1.85 114.58 119.39 1mux h GLU 119 Ca 0.26 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1mux h GLU 119 Cb 1.12 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1mux h GLU 119 CO -0.00 0.27 -0.06 0.93 -1.00 0.00 0.00 179.01 179.15 1mux h GLU 120 N -0.54 -0.17 -0.50 2.33 5.08 -1.81 -2.30 114.58 116.67 1mux h GLU 120 Ca -0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1mux h GLU 120 Cb 0.45 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1mux h GLU 120 CO 0.02 0.06 0.25 0.28 -1.00 0.00 0.00 179.01 178.62 1mux h VAL 121 N -0.38 0.95 0.28 3.13 2.07 -1.53 -0.65 116.25 120.12 1mux h VAL 121 Ca -0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1mux h VAL 121 Cb 0.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1mux h VAL 121 CO 0.03 0.09 -0.19 -0.78 0.02 0.00 0.00 177.57 176.74 1mux h ASP 122 N 0.48 -0.47 0.22 0.57 3.58 -1.28 -1.67 116.42 117.86 1mux h ASP 122 Ca 0.22 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1mux h ASP 122 Cb 0.13 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1mux h ASP 122 CO -0.16 -0.30 -0.04 -0.08 -2.88 0.00 0.00 179.24 175.79 1mux h GLU 123 N -0.46 0.00 -0.01 0.28 4.81 -1.19 -1.82 114.58 116.19 1mux h GLU 123 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1mux h GLU 123 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1mux h GLU 123 CO 0.02 0.04 -0.02 0.52 -0.73 0.00 0.00 179.01 178.84 1mux h MET 124 N 0.00 0.03 0.00 1.92 2.86 -0.22 -2.03 114.93 117.49 1mux h MET 124 Ca -0.00 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1mux h MET 124 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1mux h MET 124 CO 0.01 0.60 -0.40 0.82 1.06 0.00 0.00 176.91 178.99 1mux h ILE 125 N -0.54 1.14 -0.22 -1.22 1.08 -1.11 -2.07 117.51 114.57 1mux h ILE 125 Ca 0.00 -1.44 -0.12 0.00 -0.39 0.00 0.00 64.86 62.91 1mux h ILE 125 Cb 0.60 1.81 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1mux h ILE 125 CO 0.00 0.39 -0.32 -0.09 -0.69 0.00 0.00 178.15 177.45 1mux h ARG 126 N 0.00 0.61 0.00 2.37 9.65 -1.32 -1.59 114.38 124.09 1mux h ARG 126 Ca -0.00 -0.36 -0.09 0.00 -1.10 0.00 0.00 59.98 58.43 1mux h ARG 126 Cb 0.78 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1mux h ARG 126 CO 0.05 0.96 -0.42 0.93 2.80 0.00 0.00 179.97 184.29 1mux h GLU 127 N 0.30 0.00 0.00 0.20 5.08 -1.25 -2.77 114.58 116.14 1mux h GLU 127 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1mux h GLU 127 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1mux h GLU 127 CO 0.07 0.42 -0.48 0.00 -1.00 0.00 0.00 179.01 178.03 1mux h ALA 128 N 1.58 0.74 -0.83 3.43 0.00 -1.26 -3.40 119.26 119.51 1mux h ALA 128 Ca -0.00 -0.43 -0.47 0.00 0.00 0.00 0.00 54.91 54.01 1mux h ALA 128 Cb 0.88 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1mux h ALA 128 CO 0.06 0.59 1.29 0.34 0.00 0.00 0.00 179.25 181.53 1mux s ASP 129 N -6.44 5.85 0.02 0.00 2.15 -0.61 -4.78 116.67 112.85 1mux s ASP 129 Ca 0.03 -1.40 -0.23 0.00 0.43 0.00 0.00 52.55 51.38 1mux s ASP 129 Cb 0.08 -2.57 -0.17 0.00 -0.30 0.00 0.00 42.92 39.96 1mux s ASP 129 CO 0.73 -2.14 1.34 0.40 -0.17 0.00 0.00 175.17 175.33 1mux h ILE 130 N 6.64 1.35 0.00 4.11 2.04 -1.84 -3.09 117.51 126.72 1mux h ILE 130 Ca 0.21 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1mux h ILE 130 Cb 0.97 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1mux h ILE 130 CO 1.33 0.32 -0.14 -2.24 0.00 0.00 0.00 178.15 177.42 1mux h ASP 131 N -0.22 0.00 -4.34 1.72 3.04 -1.97 -3.48 116.42 111.18 1mux h ASP 131 Ca 0.02 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.78 1mux h ASP 131 Cb 0.54 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.85 1mux h ASP 131 CO 0.02 0.14 -0.09 0.61 -2.04 0.00 0.00 179.24 177.87 1mux n GLY 132 N 0.43 -0.72 0.00 7.15 0.00 -1.17 -4.99 105.19 105.89 1mux n GLY 132 Ca 0.01 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.62 3.20 0.00 1.61 5.68 -1.26 -5.04 116.55 119.12 1mux n ASP 133 Ca -0.01 -0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1mux n ASP 133 Cb 0.51 1.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.55 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 134 N 1.98 3.55 3.64 6.12 0.00 -1.26 -5.08 105.19 114.14 1mux n GLY 134 Ca -0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 2.00 0.10 1.61 1.03 -1.26 -4.93 119.66 118.21 1mux s GLN 135 Ca 0.00 -2.10 0.03 0.00 0.04 0.00 0.00 55.36 53.32 1mux s GLN 135 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 33.01 31.33 1mux s GLN 135 CO 0.00 -0.08 0.15 0.08 -2.54 0.00 0.00 175.29 172.90 1mux s VAL 136 N -2.71 4.86 0.14 3.63 1.01 -1.09 -4.93 120.40 121.31 1mux s VAL 136 Ca 0.34 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1mux s VAL 136 Cb 0.09 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1mux s VAL 136 CO 0.18 0.06 0.01 0.59 0.00 0.00 0.00 175.10 175.93 1mux n ASN 137 N 0.12 2.05 0.26 3.32 3.02 -1.26 -2.17 115.26 120.61 1mux n ASN 137 Ca -0.07 -1.63 0.16 0.00 -0.03 0.00 0.00 54.58 53.00 1mux n ASN 137 Cb 0.52 0.15 0.54 0.00 -0.61 0.00 0.00 39.78 40.39 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1mux h TYR 138 N 1.11 0.00 0.22 3.10 3.20 -1.98 -2.36 116.97 120.25 1mux h TYR 138 Ca -0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1mux h TYR 138 Cb 0.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1mux h TYR 138 CO 0.00 0.00 -0.11 0.93 -1.64 0.00 0.00 178.16 177.34 1mux h GLU 139 N 0.00 -0.29 0.00 1.82 3.07 -1.99 -1.96 114.58 115.23 1mux h GLU 139 Ca 0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1mux h GLU 139 Cb 0.64 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1mux h GLU 139 CO 0.00 0.04 -0.13 0.93 -1.40 0.00 0.00 179.01 178.45 1mux h GLU 140 N -0.97 0.00 0.00 2.33 5.08 -1.86 -1.54 114.58 117.62 1mux h GLU 140 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1mux h GLU 140 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1mux h GLU 140 CO 0.05 0.13 -0.70 0.35 -1.00 0.00 0.00 179.01 177.84 1mux h PHE 141 N 0.00 0.00 0.00 4.33 3.57 -1.43 -2.14 116.94 121.28 1mux h PHE 141 Ca -0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1mux h PHE 141 Cb 0.34 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1mux h PHE 141 CO 0.00 0.70 -1.15 0.28 -2.23 0.00 0.00 178.31 175.91 1mux h VAL 142 N 0.00 1.02 0.10 1.41 2.07 -0.53 -2.91 116.25 117.42 1mux h VAL 142 Ca -0.01 -2.64 -0.27 0.00 0.82 0.00 0.00 66.70 64.61 1mux h VAL 142 Cb 1.30 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1mux h VAL 142 CO 0.09 0.58 -1.25 -0.61 0.02 0.00 0.00 177.57 176.40 1mux h GLN 143 N 0.00 0.22 0.00 1.57 -0.00 -1.30 -1.89 115.11 113.71 1mux h GLN 143 Ca -0.11 -0.37 -0.13 0.00 -0.00 0.00 0.00 58.65 58.04 1mux h GLN 143 Cb 1.70 0.14 -0.02 0.00 0.00 0.00 0.00 27.48 29.29 1mux h GLN 143 CO 0.08 1.15 -0.77 0.00 0.00 0.00 0.00 178.83 179.30 1mux h MET 144 N 0.06 0.00 0.00 1.69 -0.00 -1.51 -3.38 114.93 111.80 1mux h MET 144 Ca -0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.51 1mux h MET 144 Cb 1.95 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.54 1mux h MET 144 CO 0.18 0.48 -0.70 1.98 -0.00 0.00 0.00 176.91 178.86 1mux h MET 145 N 0.00 0.00 -6.10 -0.10 1.85 -1.60 -3.50 114.93 105.48 1mux h MET 145 Ca -0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1mux h MET 145 Cb 1.46 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.48 1mux h MET 145 CO 0.06 0.26 -0.66 0.25 -0.40 0.00 0.00 176.91 176.43 1mux n THR 146 N -4.57 -3.18 -1.95 -0.77 -2.24 -0.71 -4.87 114.28 95.98 1mux n THR 146 Ca -0.14 0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 61.90 1mux n THR 146 Cb 0.37 -3.37 0.03 0.00 -2.10 0.00 0.00 70.33 65.26 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 1.75 5.79 -0.75 6.98 0.00 -1.26 -5.12 120.51 127.89 1mux n ALA 147 Ca -0.03 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1mux n ALA 147 Cb 0.28 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1mux n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13