#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 -4.77 0.00 5.75 -1.26 -5.13 116.55 111.14 1mux n ASP 2 Ca 0.00 -0.24 -0.38 0.00 -0.01 0.00 0.00 54.79 54.15 1mux n ASP 2 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1mux n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1mux s GLN 3 N 0.27 4.17 0.00 0.11 -1.52 -1.26 -5.04 119.66 116.39 1mux s GLN 3 Ca 0.00 1.81 0.00 0.00 -1.95 0.00 0.00 55.36 55.22 1mux s GLN 3 Cb 0.00 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 1mux s GLN 3 CO 0.00 -0.21 0.00 1.28 -0.25 0.00 0.00 175.29 176.11 1mux n LEU 4 N 0.26 0.00 0.00 2.90 4.77 -1.26 -5.15 117.00 118.52 1mux n LEU 4 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1mux n LEU 4 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1mux n LEU 4 CO 0.51 -0.31 0.00 0.35 -1.33 0.00 0.00 177.39 176.60 1mux n THR 5 N -0.63 0.00 0.20 -5.08 -2.24 -1.26 -4.98 114.28 100.29 1mux n THR 5 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1mux n THR 5 Cb 0.00 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 68.88 1mux n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1mux h GLU 6 N 0.00 0.00 -0.72 -0.78 4.11 -2.01 -2.95 114.58 112.23 1mux h GLU 6 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.59 1mux h GLU 6 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1mux h GLU 6 CO 0.00 0.00 -0.04 1.49 0.07 0.00 0.00 179.01 180.53 1mux h GLU 7 N 0.00 0.08 -0.50 1.06 4.57 -2.00 0.22 114.58 118.01 1mux h GLU 7 Ca 0.00 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1mux h GLU 7 Cb 0.03 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 1mux h GLU 7 CO 0.00 0.05 0.12 1.96 -1.18 0.00 0.00 179.01 179.96 1mux h GLN 8 N 0.08 0.26 -0.60 1.92 1.08 -1.93 0.16 115.11 116.07 1mux h GLN 8 Ca 0.38 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.66 1mux h GLN 8 Cb 0.64 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 1mux h GLN 8 CO -0.65 0.17 0.40 0.82 -0.95 0.00 0.00 178.83 178.62 1mux h ILE 9 N 0.27 0.90 -0.62 2.54 2.04 -0.80 0.71 117.51 122.54 1mux h ILE 9 Ca 0.25 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1mux h ILE 9 Cb 0.32 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1mux h ILE 9 CO -0.30 0.08 0.23 0.00 0.00 0.00 0.00 178.15 178.16 1mux h ALA 10 N 1.69 1.25 0.09 1.87 0.00 0.18 -1.16 119.26 123.19 1mux h ALA 10 Ca 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mux h ALA 10 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mux h ALA 10 CO -0.08 0.55 -0.04 1.49 0.00 0.00 0.00 179.25 181.16 1mux h GLU 11 N 0.89 -0.12 0.00 0.00 4.81 -0.42 -2.19 114.58 117.55 1mux h GLU 11 Ca 0.21 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1mux h GLU 11 Cb 0.19 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1mux h GLU 11 CO -0.02 0.06 -0.00 0.74 -0.73 0.00 0.00 179.01 179.06 1mux h PHE 12 N -0.27 0.00 0.21 0.92 0.04 -1.19 -2.41 116.94 114.24 1mux h PHE 12 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1mux h PHE 12 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1mux h PHE 12 CO -0.02 0.00 -0.10 0.87 -0.60 0.00 0.00 178.31 178.46 1mux h LYS 13 N 0.00 -0.27 -0.95 1.51 1.57 -0.60 -1.75 116.57 116.07 1mux h LYS 13 Ca -0.00 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.96 1mux h LYS 13 Cb 0.01 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 1mux h LYS 13 CO 0.00 -0.03 0.60 1.49 -0.57 0.00 0.00 179.45 180.94 1mux h GLU 14 N -0.50 0.70 -0.52 3.15 4.81 -1.05 0.38 114.58 121.55 1mux h GLU 14 Ca -0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1mux h GLU 14 Cb 0.38 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1mux h GLU 14 CO 0.05 0.47 0.22 0.00 -0.73 0.00 0.00 179.01 179.01 1mux h ALA 15 N 1.60 0.67 -0.99 2.92 0.00 -1.21 -1.17 119.26 121.08 1mux h ALA 15 Ca 0.49 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.38 1mux h ALA 15 Cb 0.79 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1mux h ALA 15 CO -0.26 0.27 0.63 0.35 0.00 0.00 0.00 179.25 180.24 1mux h PHE 16 N 0.70 1.10 0.00 0.00 3.57 -0.04 0.18 116.94 122.45 1mux h PHE 16 Ca 0.17 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 1mux h PHE 16 Cb 0.18 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1mux h PHE 16 CO 0.00 0.42 -0.65 1.03 -2.23 0.00 0.00 178.31 176.88 1mux h SER 17 N 0.94 0.00 -0.63 0.41 0.87 -1.02 -2.23 113.55 111.90 1mux h SER 17 Ca 0.50 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 61.08 1mux h SER 17 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1mux h SER 17 CO -0.27 0.65 0.41 0.25 -0.53 0.00 0.00 176.83 177.35 1mux h LEU 18 N 0.00 0.68 0.00 2.23 6.46 0.56 -3.15 115.31 122.10 1mux h LEU 18 Ca -0.01 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1mux h LEU 18 Cb 1.15 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1mux h LEU 18 CO 0.08 0.48 -0.17 -0.26 -0.62 0.00 0.00 178.44 177.96 1mux h PHE 19 N 0.79 0.00 -1.19 1.25 0.04 -1.28 -3.44 116.94 113.12 1mux h PHE 19 Ca 0.24 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.42 1mux h PHE 19 Cb -0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1mux h PHE 19 CO -0.00 0.37 1.53 -3.47 -0.60 0.00 0.00 178.31 176.14 1mux n ASP 20 N -4.69 2.08 -2.26 2.17 -0.08 -0.85 -4.72 116.55 108.20 1mux n ASP 20 Ca -0.06 0.12 -0.30 0.00 -1.51 0.00 0.00 54.79 53.04 1mux n ASP 20 Cb 0.21 -1.34 0.04 0.00 2.34 0.00 0.00 41.12 42.38 1mux n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1mux n LYS 21 N 8.52 3.16 0.02 -0.67 5.02 -1.26 -4.66 118.16 128.28 1mux n LYS 21 Ca 0.42 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.92 1mux n LYS 21 Cb 0.31 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1mux n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 22 N -0.76 -0.18 0.00 4.39 5.75 -1.26 -5.09 116.55 119.39 1mux n ASP 22 Ca 0.52 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 55.36 1mux n ASP 22 Cb 0.76 0.41 0.00 0.00 -1.03 0.00 0.00 41.12 41.26 1mux n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 23 N -0.02 0.57 0.00 6.12 0.00 -1.26 -5.06 105.19 105.54 1mux n GLY 23 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.23 -2.97 1.61 5.75 -1.26 -5.02 116.55 114.89 1mux n ASP 24 Ca 0.00 -1.01 -0.19 0.00 -0.01 0.00 0.00 54.79 53.58 1mux n ASP 24 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.01 -0.24 3.43 6.12 0.00 -1.26 -5.01 105.19 108.23 1mux n GLY 25 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.26 -0.00 -0.16 2.61 -4.23 -1.26 -4.26 115.64 105.09 1mux s THR 26 Ca 0.46 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.91 1mux s THR 26 Cb -0.20 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 1mux s THR 26 CO 0.58 0.00 0.04 -0.63 -0.54 0.00 0.00 174.62 174.07 1mux s ILE 27 N 0.34 4.57 0.42 2.99 1.01 -1.02 -4.84 121.20 124.66 1mux s ILE 27 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.56 1mux s ILE 27 Cb -0.04 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1mux s ILE 27 CO -0.00 0.50 0.06 -0.89 0.00 0.00 0.00 174.94 174.61 1mux s THR 28 N 0.05 1.12 0.45 2.92 2.01 -1.26 -2.36 115.64 118.58 1mux s THR 28 Ca 0.04 -2.00 0.38 0.00 0.31 0.00 0.00 61.69 60.42 1mux s THR 28 Cb -0.12 -2.52 0.40 0.00 0.01 0.00 0.00 72.50 70.27 1mux s THR 28 CO 0.01 0.00 2.20 0.71 -0.69 0.00 0.00 174.62 176.85 1mux h THR 29 N 1.75 0.13 0.03 -0.82 1.35 -1.97 -2.00 112.91 111.37 1mux h THR 29 Ca -0.40 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1mux h THR 29 Cb 1.27 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1mux h THR 29 CO 0.69 0.02 -0.02 0.11 -0.25 0.00 0.00 175.52 176.07 1mux h LYS 30 N 0.00 -0.04 -0.57 4.72 1.57 -1.98 -0.08 116.57 120.18 1mux h LYS 30 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1mux h LYS 30 Cb 0.22 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 1mux h LYS 30 CO 0.00 -0.03 0.15 0.93 -0.57 0.00 0.00 179.45 179.94 1mux h GLU 31 N -0.08 0.29 -0.28 3.15 5.08 -1.89 0.19 114.58 121.04 1mux h GLU 31 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1mux h GLU 31 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1mux h GLU 31 CO 0.01 0.19 0.18 1.25 -1.00 0.00 0.00 179.01 179.64 1mux h LEU 32 N 0.30 0.33 -0.79 1.33 5.85 -1.47 -1.39 115.31 119.48 1mux h LEU 32 Ca 0.29 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1mux h LEU 32 Cb 0.40 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1mux h LEU 32 CO -0.35 0.25 0.52 1.23 -0.34 0.00 0.00 178.44 179.75 1mux h GLY 33 N 0.41 1.11 2.00 3.75 0.00 0.14 -0.75 103.07 109.72 1mux h GLY 33 Ca 0.10 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1mux h GLY 33 CO -0.02 0.41 -0.26 -0.84 0.00 0.00 0.00 176.54 175.82 1mux h THR 34 N 1.07 0.63 -0.24 4.70 2.02 -0.88 -1.06 112.91 119.14 1mux h THR 34 Ca 0.29 -1.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 1mux h THR 34 Cb -0.12 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1mux h THR 34 CO -0.06 0.26 -0.39 0.58 0.37 0.00 0.00 175.52 176.27 1mux h VAL 35 N 0.00 1.30 0.00 3.16 2.07 -0.44 -0.65 116.25 121.69 1mux h VAL 35 Ca -0.00 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1mux h VAL 35 Cb 0.81 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1mux h VAL 35 CO 0.03 0.49 -1.06 0.23 0.02 0.00 0.00 177.57 177.29 1mux n MET 36 N -4.03 0.61 0.09 1.57 2.81 -0.81 -3.03 117.12 114.31 1mux n MET 36 Ca -0.02 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.12 1mux n MET 36 Cb 0.51 -1.82 0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1mux n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux h ARG 37 N 0.00 0.00 0.00 0.03 3.08 -1.09 -1.54 114.38 114.86 1mux h ARG 37 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1mux h ARG 37 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1mux h ARG 37 CO 0.00 0.00 -1.62 -1.13 -1.07 0.00 0.00 179.97 176.16 1mux n SER 38 N -2.47 0.55 -2.87 7.04 3.41 -0.26 -4.48 113.62 114.54 1mux n SER 38 Ca 0.01 -0.29 -0.20 0.00 -0.26 0.00 0.00 58.87 58.13 1mux n SER 38 Cb 0.51 1.64 -0.01 0.00 -0.26 0.00 0.00 64.21 66.09 1mux n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1mux n LEU 39 N -1.98 2.69 0.00 1.04 7.94 -1.17 -4.96 117.00 120.56 1mux n LEU 39 Ca -0.01 -4.95 0.00 0.00 -1.11 0.00 0.00 56.01 49.94 1mux n LEU 39 Cb 0.46 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1mux n LEU 39 CO 0.42 2.14 0.00 0.61 -1.11 0.00 0.00 177.39 179.44 1mux n GLY 40 N -0.08 0.43 2.67 -3.96 0.00 -1.23 -4.84 105.19 98.17 1mux n GLY 40 Ca 0.26 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 3.33 -0.06 1.61 7.27 -0.58 -4.42 117.38 124.53 1mux n GLN 41 Ca 0.00 -2.83 -0.05 0.00 0.07 0.00 0.00 57.00 54.19 1mux n GLN 41 Cb 0.00 -3.06 -0.03 0.00 2.41 0.00 0.00 30.24 29.56 1mux n GLN 41 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1mux h ASN 42 N 5.65 0.00 -1.53 1.69 -0.26 -1.94 -3.48 115.58 115.71 1mux h ASN 42 Ca 0.59 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 1mux h ASN 42 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1mux h ASN 42 CO 1.78 0.73 0.00 -0.81 -1.06 0.00 0.00 177.43 178.06 1mux n PRO 43 N -4.67 -0.45 -3.04 0.81 -0.04 -1.26 -5.11 135.00 121.24 1mux n PRO 43 Ca -0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1mux n PRO 43 Cb 0.20 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.63 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 -2.11 0.00 -0.13 0.52 5.66 -1.26 -5.01 114.28 111.96 1mux n THR 44 Ca 0.00 -1.05 -0.11 0.00 -3.05 0.00 0.00 64.05 59.84 1mux n THR 44 Cb 0.00 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.17 1mux n THR 44 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1mux h GLU 45 N 0.00 0.66 0.20 1.09 4.81 -1.98 -1.94 114.58 117.41 1mux h GLU 45 Ca -0.13 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1mux h GLU 45 Cb 0.53 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1mux h GLU 45 CO 0.20 0.77 -0.09 0.00 -0.73 0.00 0.00 179.01 179.16 1mux h ALA 46 N 0.87 -0.83 -1.24 2.92 0.00 -2.00 -2.15 119.26 116.82 1mux h ALA 46 Ca 0.10 -0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.32 1mux h ALA 46 Cb 0.48 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1mux h ALA 46 CO 0.02 -0.81 0.90 1.49 0.00 0.00 0.00 179.25 180.86 1mux h GLU 47 N -0.33 0.00 -0.04 0.00 4.81 -1.98 0.28 114.58 117.33 1mux h GLU 47 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1mux h GLU 47 Cb 0.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1mux h GLU 47 CO 0.04 0.00 -0.00 1.25 -0.73 0.00 0.00 179.01 179.57 1mux h LEU 48 N 0.00 0.07 -1.12 1.64 6.46 -1.18 -2.53 115.31 118.65 1mux h LEU 48 Ca 0.59 -0.33 0.24 0.00 -0.12 0.00 0.00 57.88 58.26 1mux h LEU 48 Cb 2.39 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 42.19 1mux h LEU 48 CO -0.01 0.39 0.62 -0.61 -0.62 0.00 0.00 178.44 178.21 1mux h GLN 49 N -0.25 0.54 -0.58 1.25 4.15 0.23 0.42 115.11 120.88 1mux h GLN 49 Ca 0.01 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1mux h GLN 49 Cb 0.35 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1mux h GLN 49 CO 0.00 0.36 0.17 -0.44 -1.93 0.00 0.00 178.83 176.99 1mux h ASP 50 N 0.56 0.86 0.41 -0.69 3.32 -1.25 -1.26 116.42 118.36 1mux h ASP 50 Ca 0.62 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1mux h ASP 50 Cb 1.24 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1mux h ASP 50 CO -0.40 0.85 0.00 0.80 -1.72 0.00 0.00 179.24 178.77 1mux n MET 51 N -4.40 0.17 0.01 3.56 1.56 0.14 -2.17 117.12 115.98 1mux n MET 51 Ca 0.03 0.51 -0.13 0.00 -0.27 0.00 0.00 57.70 57.84 1mux n MET 51 Cb 0.22 -1.90 -0.14 0.00 2.15 0.00 0.00 33.22 33.55 1mux n MET 51 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1mux h ILE 52 N 0.00 0.90 -0.23 1.12 1.08 -0.26 -3.35 117.51 116.77 1mux h ILE 52 Ca 0.00 -2.67 -0.06 0.00 -0.39 0.00 0.00 64.86 61.73 1mux h ILE 52 Cb 0.20 2.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1mux h ILE 52 CO 0.00 0.68 -0.14 0.78 -0.69 0.00 0.00 178.15 178.78 1mux h ASN 53 N 0.03 0.36 0.47 1.72 2.35 -0.93 -1.87 115.58 117.71 1mux h ASN 53 Ca -0.30 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1mux h ASN 53 Cb 2.01 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.28 1mux h ASN 53 CO 0.10 0.53 0.00 -1.84 -1.65 0.00 0.00 177.43 174.57 1mux n GLU 54 N -4.22 0.10 -0.01 0.81 0.28 -1.20 -2.67 120.64 113.73 1mux n GLU 54 Ca -0.00 0.18 0.06 0.00 -0.16 0.00 0.00 57.16 57.24 1mux n GLU 54 Cb 0.31 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.58 1mux n GLU 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1mux n VAL 55 N -1.41 0.00 -3.73 3.84 0.31 -0.75 -4.89 118.33 111.69 1mux n VAL 55 Ca 0.06 -0.28 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 1mux n VAL 55 Cb 0.17 0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 33.28 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 -3.30 5.37 -0.10 4.52 -1.08 -0.92 -4.91 116.67 116.25 1mux s ASP 56 Ca -0.04 -1.19 0.15 0.00 -0.52 0.00 0.00 52.55 50.95 1mux s ASP 56 Cb 0.08 -1.89 0.49 0.00 -1.46 0.00 0.00 42.92 40.14 1mux s ASP 56 CO 0.52 -0.36 1.40 0.00 0.52 0.00 0.00 175.17 177.26 1mux n ALA 57 N 4.83 2.72 0.03 3.66 0.00 -1.26 -4.54 120.51 125.94 1mux n ALA 57 Ca -0.12 -1.73 -0.19 0.00 0.00 0.00 0.00 53.44 51.40 1mux n ALA 57 Cb 0.44 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 1mux n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1mux h ASP 58 N 2.36 0.40 0.00 0.00 5.19 -1.92 -3.48 116.42 118.97 1mux h ASP 58 Ca 0.00 -0.94 0.00 0.00 -0.62 0.00 0.00 57.03 55.47 1mux h ASP 58 Cb 1.19 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1mux h ASP 58 CO 0.15 1.37 0.00 0.61 -3.12 0.00 0.00 179.24 178.25 1mux n GLY 59 N 1.67 1.52 0.08 2.75 0.00 -1.26 -5.00 105.19 104.93 1mux n GLY 59 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 1.51 0.00 1.61 6.94 -1.26 -5.04 115.26 119.02 1mux n ASN 60 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1mux n ASN 60 Cb 0.00 0.67 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 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 2.16 3.43 3.98 4.83 0.00 -1.26 -5.08 105.19 113.25 1mux n GLY 61 Ca -0.26 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 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 3.60 0.27 2.61 -4.23 -1.26 -4.83 115.64 111.80 1mux s THR 62 Ca 0.00 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1mux s THR 62 Cb 0.00 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 1mux s THR 62 CO 0.00 -0.15 0.31 -0.63 -0.54 0.00 0.00 174.62 173.61 1mux s ILE 63 N -2.41 4.58 0.00 2.99 1.01 -0.99 -4.88 121.20 121.49 1mux s ILE 63 Ca 0.50 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1mux s ILE 63 Cb -0.10 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1mux s ILE 63 CO 0.35 -0.29 0.00 0.47 0.00 0.00 0.00 174.94 175.46 1mux n ASP 64 N -1.35 1.37 0.05 3.58 8.00 -1.26 -2.44 116.55 124.49 1mux n ASP 64 Ca -0.06 -0.09 -0.21 0.00 0.71 0.00 0.00 54.79 55.13 1mux n ASP 64 Cb 0.58 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.06 0.59 0.00 1.24 3.57 -2.00 -3.13 116.94 117.27 1mux h PHE 65 Ca 0.00 -0.43 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1mux h PHE 65 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1mux h PHE 65 CO 0.00 1.44 -0.26 -1.00 -2.23 0.00 0.00 178.31 176.26 1mux h PRO 66 N -0.25 0.00 0.02 6.41 0.13 -1.97 -2.41 132.00 133.94 1mux h PRO 66 Ca -0.22 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.69 1mux h PRO 66 Cb 1.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.91 1mux h PRO 66 CO 0.14 0.26 -0.96 0.93 -0.23 0.00 0.00 178.00 178.14 1mux h GLU 67 N 0.00 0.25 -0.24 0.86 5.08 -1.96 -1.57 114.58 117.01 1mux h GLU 67 Ca -0.00 -0.30 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 1mux h GLU 67 Cb 0.82 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1mux h GLU 67 CO 0.03 1.04 -0.61 0.35 -1.00 0.00 0.00 179.01 178.82 1mux h PHE 68 N 0.13 1.08 0.00 4.33 3.57 -1.46 -2.12 116.94 122.48 1mux h PHE 68 Ca -0.07 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1mux h PHE 68 Cb 1.61 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1mux h PHE 68 CO 0.04 1.24 0.00 1.25 -2.23 0.00 0.00 178.31 178.62 1mux h LEU 69 N 0.60 0.00 0.00 0.59 5.85 -1.46 -2.78 115.31 118.11 1mux h LEU 69 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1mux h LEU 69 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1mux h LEU 69 CO 0.13 0.00 -1.29 0.41 -0.34 0.00 0.00 178.44 177.35 1mux n THR 70 N -2.77 0.92 -0.01 1.05 -1.04 -0.59 -3.09 114.28 108.76 1mux n THR 70 Ca 0.04 -0.63 -0.17 0.00 -2.04 0.00 0.00 64.05 61.25 1mux n THR 70 Cb 0.46 -0.55 -0.14 0.00 -1.82 0.00 0.00 70.33 68.28 1mux n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1mux n MET 71 N -2.78 0.72 -0.09 -2.82 0.00 -0.80 -3.82 117.12 107.52 1mux n MET 71 Ca -0.06 0.26 -0.16 0.00 -0.00 0.00 0.00 57.70 57.74 1mux n MET 71 Cb 0.72 -1.72 -0.08 0.00 0.00 0.00 0.00 33.22 32.13 1mux n MET 71 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1mux h MET 72 N 0.05 0.00 0.00 2.12 2.07 -1.68 -3.36 114.93 114.13 1mux h MET 72 Ca -0.39 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.24 1mux h MET 72 Cb 2.03 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.76 1mux h MET 72 CO 0.08 0.68 0.00 0.00 1.07 0.00 0.00 176.91 178.73 1mux n ALA 73 N -3.48 1.39 1.18 6.32 0.00 -1.18 -1.96 120.51 122.79 1mux n ALA 73 Ca -0.24 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.22 1mux n ALA 73 Cb 0.54 -1.15 0.11 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.52 1.60 -3.20 0.00 3.00 -1.25 -4.87 116.66 110.41 1mux n ARG 74 Ca 0.02 -0.91 -0.21 0.00 -0.00 0.00 0.00 57.85 56.76 1mux n ARG 74 Cb 0.10 -1.21 0.04 0.00 0.00 0.00 0.00 32.46 31.40 1mux n ARG 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1mux s LYS 75 N -1.66 2.34 -0.11 -0.14 2.20 -0.83 -4.89 119.74 116.64 1mux s LYS 75 Ca 0.17 -1.68 -0.08 0.00 -0.36 0.00 0.00 55.97 54.02 1mux s LYS 75 Cb 0.09 -2.55 0.03 0.00 -1.51 0.00 0.00 37.83 33.89 1mux s LYS 75 CO 0.11 -0.76 0.16 -1.33 -0.36 0.00 0.00 175.35 173.17 1mux n MET 76 N -2.11 -3.74 -0.29 4.03 2.81 -1.26 -4.98 117.12 111.57 1mux n MET 76 Ca 0.12 2.86 0.00 0.00 -1.81 0.00 0.00 57.70 58.86 1mux n MET 76 Cb 0.62 -3.86 0.00 0.00 -0.71 0.00 0.00 33.22 29.27 1mux n MET 76 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1mux n LYS 77 N 1.95 0.00 -1.68 0.03 2.85 -1.26 -5.11 118.16 114.94 1mux n LYS 77 Ca -0.27 -0.58 -0.36 0.00 -1.05 0.00 0.00 58.31 56.06 1mux n LYS 77 Cb 0.41 -0.37 0.07 0.00 -0.65 0.00 0.00 35.03 34.49 1mux n LYS 77 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1mux s ASP 78 N -0.42 4.58 -0.05 -5.58 2.15 -1.26 -5.01 116.67 111.08 1mux s ASP 78 Ca 0.00 2.45 0.04 0.00 0.43 0.00 0.00 52.55 55.47 1mux s ASP 78 Cb 0.00 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 1mux s ASP 78 CO 0.00 -2.01 -0.17 0.28 -0.17 0.00 0.00 175.17 173.10 1mux s THR 79 N -1.70 2.79 -0.26 1.71 -1.32 -1.26 -5.10 115.64 110.49 1mux s THR 79 Ca 0.78 -0.82 -0.06 0.00 -1.21 0.00 0.00 61.69 60.38 1mux s THR 79 Cb -0.32 -2.07 -0.01 0.00 -1.51 0.00 0.00 72.50 68.59 1mux s THR 79 CO 0.40 0.58 0.05 -1.81 -2.21 0.00 0.00 174.62 171.63 1mux s ASP 80 N -0.57 4.91 -0.23 8.08 1.11 -1.26 -5.07 116.67 123.65 1mux s ASP 80 Ca 0.08 -0.49 0.02 0.00 0.18 0.00 0.00 52.55 52.33 1mux s ASP 80 Cb -0.11 -1.85 0.05 0.00 1.07 0.00 0.00 42.92 42.07 1mux s ASP 80 CO 0.01 -0.10 -0.10 -0.94 1.18 0.00 0.00 175.17 175.21 1mux s SER 81 N 1.52 3.82 0.00 0.27 1.04 -1.26 -4.93 113.70 114.17 1mux s SER 81 Ca 0.04 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1mux s SER 81 Cb -0.16 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.61 1mux s SER 81 CO 0.01 -0.17 0.46 -1.84 0.98 0.00 0.00 173.24 172.69 1mux n GLU 82 N 4.59 -0.91 -3.34 4.02 0.28 -1.26 -4.90 120.64 119.12 1mux n GLU 82 Ca -0.14 -0.46 -0.15 0.00 -0.16 0.00 0.00 57.16 56.24 1mux n GLU 82 Cb 0.45 -0.96 -0.07 0.00 1.43 0.00 0.00 31.44 32.28 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 -0.00 0.67 0.59 3.44 2.02 -1.26 -4.99 118.70 119.17 1mux s GLU 83 Ca 0.00 -0.86 0.33 0.00 0.02 0.00 0.00 54.97 54.46 1mux s GLU 83 Cb 0.00 -0.66 1.28 0.00 0.10 0.00 0.00 34.13 34.84 1mux s GLU 83 CO 0.00 -1.20 1.55 0.93 0.02 0.00 0.00 175.26 176.56 1mux h GLU 84 N 6.97 0.00 0.64 1.61 3.07 -1.98 -0.07 114.58 124.83 1mux h GLU 84 Ca 0.06 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1mux h GLU 84 Cb 1.06 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1mux h GLU 84 CO 0.19 0.00 -0.31 0.82 -1.40 0.00 0.00 179.01 178.31 1mux h ILE 85 N 0.00 0.09 0.62 3.13 2.04 -1.98 -1.30 117.51 120.11 1mux h ILE 85 Ca 0.51 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 1mux h ILE 85 Cb 2.58 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1mux h ILE 85 CO -0.01 0.01 -0.30 -0.09 0.00 0.00 0.00 178.15 177.77 1mux h ARG 86 N -1.19 -0.80 -0.92 2.37 2.43 -1.46 -2.01 114.38 112.80 1mux h ARG 86 Ca -0.09 0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.38 1mux h ARG 86 Cb 0.68 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1mux h ARG 86 CO 0.14 -0.49 0.64 0.93 -1.51 0.00 0.00 179.97 179.68 1mux h GLU 87 N -0.99 0.15 -0.17 0.20 4.39 -1.49 0.27 114.58 116.94 1mux h GLU 87 Ca -0.09 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.40 1mux h GLU 87 Cb 0.68 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1mux h GLU 87 CO 0.14 0.10 -0.68 0.00 -1.16 0.00 0.00 179.01 177.41 1mux h ALA 88 N 1.57 0.31 0.00 3.43 0.00 -0.91 -2.38 119.26 121.28 1mux h ALA 88 Ca 0.46 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1mux h ALA 88 Cb 1.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1mux h ALA 88 CO -0.08 0.62 -0.13 0.35 0.00 0.00 0.00 179.25 180.01 1mux h PHE 89 N 0.49 0.00 0.00 0.00 3.57 -0.21 -1.99 116.94 118.80 1mux h PHE 89 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1mux h PHE 89 Cb 1.31 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1mux h PHE 89 CO 0.09 0.13 -0.10 0.00 -2.23 0.00 0.00 178.31 176.20 1mux h ARG 90 N 0.00 0.00 -0.66 1.11 3.08 -1.39 -2.49 114.38 114.02 1mux h ARG 90 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1mux h ARG 90 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1mux h ARG 90 CO 0.02 0.79 0.44 -0.39 -1.07 0.00 0.00 179.97 179.75 1mux h VAL 91 N -1.00 1.11 0.16 2.04 -1.51 -1.38 -2.63 116.25 113.04 1mux h VAL 91 Ca -0.03 -0.28 -0.31 0.00 -1.23 0.00 0.00 66.70 64.86 1mux h VAL 91 Cb 0.82 0.22 0.03 0.00 -2.13 0.00 0.00 31.29 30.23 1mux h VAL 91 CO -0.02 0.15 -1.32 -0.26 -1.23 0.00 0.00 177.57 174.90 1mux h PHE 92 N 0.81 0.89 -2.60 5.19 0.04 -1.49 -3.37 116.94 116.42 1mux h PHE 92 Ca 0.26 -0.60 -0.69 0.00 2.80 0.00 0.00 57.97 59.74 1mux h PHE 92 Cb 0.03 -0.05 -0.36 0.00 2.20 0.00 0.00 35.95 37.77 1mux h PHE 92 CO -0.00 1.46 -0.02 -3.47 -0.60 0.00 0.00 178.31 175.67 1mux n ASP 93 N -3.72 4.80 -2.34 2.17 2.03 -0.94 -4.73 116.55 113.82 1mux n ASP 93 Ca -0.14 -3.40 -0.32 0.00 0.52 0.00 0.00 54.79 51.46 1mux n ASP 93 Cb 1.03 -0.94 0.05 0.00 -0.72 0.00 0.00 41.12 40.54 1mux n ASP 93 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1mux n LYS 94 N 1.19 3.05 0.00 -0.67 0.00 -1.06 -4.48 118.16 116.19 1mux n LYS 94 Ca 0.27 -3.72 0.00 0.00 -0.00 0.00 0.00 58.31 54.87 1mux n LYS 94 Cb 0.37 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.13 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1mux n ASP 95 N -0.75 3.56 0.00 -5.58 5.68 -1.26 -5.04 116.55 113.16 1mux n ASP 95 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1mux n ASP 95 Cb 0.69 0.46 0.00 0.00 -1.14 0.00 0.00 41.12 41.13 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 2.13 1.84 0.13 6.12 0.00 -1.26 -5.04 105.19 109.11 1mux n GLY 96 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.99 0.00 1.61 2.85 -1.26 -5.00 115.26 115.45 1mux n ASN 97 Ca 0.00 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1mux n ASN 97 Cb 0.00 -0.83 0.00 0.00 1.24 0.00 0.00 39.78 40.19 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 1.73 1.80 3.08 8.20 0.00 -1.26 -5.07 105.19 113.66 1mux n GLY 98 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.22 -0.00 0.25 1.61 2.02 -1.26 -4.78 117.35 112.98 1mux s TYR 99 Ca 0.00 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.39 1mux s TYR 99 Cb 0.00 -0.03 -0.09 0.00 -0.40 0.00 0.00 41.96 41.44 1mux s TYR 99 CO 0.00 -0.23 1.22 0.42 -1.57 0.00 0.00 175.55 175.39 1mux s ILE 100 N -1.00 3.26 0.41 2.71 1.01 -0.85 -4.62 121.20 122.12 1mux s ILE 100 Ca -0.11 1.16 0.07 0.00 0.00 0.00 0.00 60.65 61.77 1mux s ILE 100 Cb -0.06 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1mux s ILE 100 CO 0.01 0.23 0.16 -0.44 0.00 0.00 0.00 174.94 174.91 1mux s SER 101 N -0.26 4.39 0.01 3.58 0.01 -1.26 -2.07 113.70 118.10 1mux s SER 101 Ca 0.50 -1.08 -0.21 0.00 1.31 0.00 0.00 55.95 56.47 1mux s SER 101 Cb -0.35 -0.49 -0.18 0.00 0.21 0.00 0.00 66.02 65.21 1mux s SER 101 CO 0.42 -0.52 1.21 0.00 0.41 0.00 0.00 173.24 174.77 1mux h ALA 102 N 1.46 0.15 0.04 1.44 0.00 -1.91 -2.33 119.26 118.12 1mux h ALA 102 Ca -0.43 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.09 1mux h ALA 102 Cb 1.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1mux h ALA 102 CO 0.70 0.16 -0.24 0.00 0.00 0.00 0.00 179.25 179.87 1mux h ALA 103 N 0.46 -0.36 -0.89 0.00 0.00 -1.96 -1.45 119.26 115.06 1mux h ALA 103 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1mux h ALA 103 Cb 0.90 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1mux h ALA 103 CO 0.06 -0.75 0.59 0.93 0.00 0.00 0.00 179.25 180.07 1mux h GLU 104 N -0.40 1.07 -0.76 0.00 5.08 -1.91 -1.27 114.58 116.39 1mux h GLU 104 Ca 0.05 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1mux h GLU 104 Cb 0.46 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1mux h GLU 104 CO -0.19 0.71 0.50 1.25 -1.00 0.00 0.00 179.01 180.28 1mux h LEU 105 N 1.10 0.73 -0.21 1.33 6.46 -0.71 -1.24 115.31 122.77 1mux h LEU 105 Ca 0.36 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1mux h LEU 105 Cb 0.05 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1mux h LEU 105 CO -0.11 0.48 -0.23 -0.09 -0.62 0.00 0.00 178.44 177.87 1mux h ARG 106 N 0.83 0.52 0.00 1.25 2.43 -0.36 -2.23 114.38 116.83 1mux h ARG 106 Ca 0.32 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1mux h ARG 106 Cb 0.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1mux h ARG 106 CO -0.11 0.87 0.00 0.72 -1.51 0.00 0.00 179.97 179.94 1mux n HIS 107 N -4.41 0.19 -0.02 2.20 8.25 -0.90 -2.56 115.22 117.97 1mux n HIS 107 Ca -0.05 0.07 -0.21 0.00 -0.26 0.00 0.00 57.72 57.27 1mux n HIS 107 Cb 0.42 -0.62 -0.13 0.00 1.12 0.00 0.00 29.99 30.78 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1mux n VAL 108 N -1.67 1.72 0.06 1.59 0.31 -0.52 -3.78 118.33 116.05 1mux n VAL 108 Ca 0.03 -0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 1mux n VAL 108 Cb 0.19 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.02 -0.18 -0.13 5.55 2.07 -1.31 -1.99 114.93 118.90 1mux h MET 109 Ca -0.45 0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.23 1mux h MET 109 Cb 1.96 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 31.73 1mux h MET 109 CO 0.04 0.23 0.18 0.00 1.07 0.00 0.00 176.91 178.43 1mux h THR 110 N -0.69 0.37 0.07 2.22 1.03 -1.37 -1.25 112.91 113.29 1mux h THR 110 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.09 1mux h THR 110 Cb 0.50 0.85 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 1mux h THR 110 CO 0.03 0.00 -1.52 0.78 -0.01 0.00 0.00 175.52 174.81 1mux h ASN 111 N 0.00 0.24 0.21 0.00 4.21 -1.62 -3.38 115.58 115.24 1mux h ASN 111 Ca 0.06 -0.36 -0.01 0.00 1.21 0.00 0.00 56.30 57.20 1mux h ASN 111 Cb 0.42 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1mux h ASN 111 CO -0.00 1.31 -0.10 -0.07 -1.29 0.00 0.00 177.43 177.27 1mux h LEU 112 N 0.04 -0.24 0.00 1.61 3.38 -0.48 -3.48 115.31 116.14 1mux h LEU 112 Ca -0.23 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1mux h LEU 112 Cb 1.98 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1mux h LEU 112 CO 0.13 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1mux n GLY 113 N 0.70 0.52 3.76 0.83 0.00 -0.73 -5.11 105.19 105.15 1mux n GLY 113 Ca -0.07 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 4.48 -0.38 1.61 0.41 -1.16 -4.92 118.70 118.74 1mux s GLU 114 Ca 0.00 1.98 -0.01 0.00 -0.41 0.00 0.00 54.97 56.52 1mux s GLU 114 Cb 0.00 -3.10 0.10 0.00 -1.78 0.00 0.00 34.13 29.35 1mux s GLU 114 CO 0.00 0.01 0.14 -1.59 -0.49 0.00 0.00 175.26 173.33 1mux s LYS 115 N -1.66 1.96 0.39 1.61 -2.85 -1.26 -2.93 119.74 115.00 1mux s LYS 115 Ca 0.47 -1.75 0.08 0.00 -1.00 0.00 0.00 55.97 53.77 1mux s LYS 115 Cb -0.35 -3.44 -0.04 0.00 -2.06 0.00 0.00 37.83 31.93 1mux s LYS 115 CO 0.46 -0.98 0.20 -0.51 0.10 0.00 0.00 175.35 174.63 1mux s LEU 116 N 1.11 3.21 0.42 2.77 1.43 -1.26 -5.07 118.68 121.28 1mux s LEU 116 Ca 0.07 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.31 1mux s LEU 116 Cb -0.22 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1mux s LEU 116 CO -0.04 -0.49 0.14 -0.89 0.23 0.00 0.00 176.35 175.29 1mux s THR 117 N -2.53 2.19 0.41 5.49 2.01 -1.26 -4.96 115.64 116.99 1mux s THR 117 Ca 0.41 -1.78 0.18 0.00 0.31 0.00 0.00 61.69 60.81 1mux s THR 117 Cb 0.01 -2.97 0.38 0.00 0.01 0.00 0.00 72.50 69.93 1mux s THR 117 CO 0.23 0.00 1.83 0.44 -0.69 0.00 0.00 174.62 176.43 1mux h ASP 118 N 1.50 0.43 0.43 3.53 5.19 -2.00 -1.95 116.42 123.55 1mux h ASP 118 Ca -0.43 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 1mux h ASP 118 Cb 1.25 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1mux h ASP 118 CO 0.73 0.14 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.46 1mux h GLU 119 N 0.41 -0.56 0.44 3.56 4.39 -1.99 -1.79 114.58 119.05 1mux h GLU 119 Ca 0.51 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 1mux h GLU 119 Cb 1.28 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1mux h GLU 119 CO -0.21 -0.31 -0.21 0.93 -1.16 0.00 0.00 179.01 178.04 1mux h GLU 120 N -0.70 -0.57 -0.94 2.33 4.39 -1.78 -1.98 114.58 115.33 1mux h GLU 120 Ca -0.06 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.87 1mux h GLU 120 Cb 0.50 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.18 1mux h GLU 120 CO 0.10 -0.35 0.52 0.28 -1.16 0.00 0.00 179.01 178.40 1mux h VAL 121 N -0.65 0.65 -0.59 3.13 2.07 -1.42 0.36 116.25 119.80 1mux h VAL 121 Ca -0.06 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1mux h VAL 121 Cb 0.49 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1mux h VAL 121 CO 0.10 0.12 0.02 0.44 0.02 0.00 0.00 177.57 178.27 1mux h ASP 122 N 0.64 1.00 1.02 0.57 5.19 -1.08 -2.17 116.42 121.60 1mux h ASP 122 Ca 0.55 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1mux h ASP 122 Cb 0.89 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1mux h ASP 122 CO -0.41 1.05 0.00 -0.33 -3.12 0.00 0.00 179.24 176.43 1mux h GLU 123 N 0.93 0.00 0.02 3.56 5.08 -0.24 -2.01 114.58 121.93 1mux h GLU 123 Ca 0.17 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1mux h GLU 123 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1mux h GLU 123 CO 0.03 0.00 -0.18 0.52 -1.00 0.00 0.00 179.01 178.38 1mux h MET 124 N 0.00 0.08 -0.22 2.33 2.86 -0.47 -2.02 114.93 117.49 1mux h MET 124 Ca 0.00 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 1mux h MET 124 Cb 0.51 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1mux h MET 124 CO 0.00 1.00 -0.48 0.82 1.06 0.00 0.00 176.91 179.31 1mux h ILE 125 N -0.79 1.31 -0.06 -1.22 1.08 -1.41 -0.96 117.51 115.46 1mux h ILE 125 Ca -0.03 -1.69 -0.05 0.00 -0.39 0.00 0.00 64.86 62.70 1mux h ILE 125 Cb 1.09 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1mux h ILE 125 CO 0.03 0.53 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.77 1mux h ARG 126 N 0.47 0.23 0.00 2.37 9.65 -1.48 0.89 114.38 126.51 1mux h ARG 126 Ca 0.02 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.70 1mux h ARG 126 Cb 1.01 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 1mux h ARG 126 CO 0.09 0.77 -0.20 0.93 2.80 0.00 0.00 179.97 184.37 1mux h GLU 127 N -0.28 0.00 0.00 0.20 4.39 -1.39 -2.68 114.58 114.82 1mux h GLU 127 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mux h GLU 127 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1mux h GLU 127 CO 0.04 0.20 -0.94 0.00 -1.16 0.00 0.00 179.01 177.15 1mux n ALA 128 N -2.23 3.29 -2.56 3.43 0.00 -0.37 -4.71 120.51 117.37 1mux n ALA 128 Ca -0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1mux n ALA 128 Cb 0.39 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1mux n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mux s ASP 129 N -3.99 6.55 0.00 0.00 1.11 0.30 -4.79 116.67 115.85 1mux s ASP 129 Ca 0.04 -1.61 0.11 0.00 0.18 0.00 0.00 52.55 51.27 1mux s ASP 129 Cb 0.14 -2.57 0.59 0.00 1.07 0.00 0.00 42.92 42.15 1mux s ASP 129 CO 0.78 -1.46 1.21 -0.38 1.18 0.00 0.00 175.17 176.50 1mux n ILE 130 N 6.82 0.52 -0.01 0.77 2.08 -1.26 -4.37 119.36 123.91 1mux n ILE 130 Ca 0.36 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.80 1mux n ILE 130 Cb 0.50 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 1mux n ILE 130 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1mux n ASP 131 N -1.20 0.00 0.02 4.38 5.68 -1.26 -5.00 116.55 119.16 1mux n ASP 131 Ca 0.06 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.23 1mux n ASP 131 Cb 0.07 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.96 1mux n ASP 131 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1mux h GLY 132 N 0.00 -0.12 -5.26 6.12 0.00 -1.76 -3.49 103.07 98.56 1mux h GLY 132 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1mux h GLY 132 CO 0.00 -0.04 -1.22 1.22 0.00 0.00 0.00 176.54 176.49 1mux n ASP 133 N -4.88 -3.81 0.00 0.19 9.92 -1.26 -4.26 116.55 112.45 1mux n ASP 133 Ca -0.08 1.28 0.00 0.00 -0.53 0.00 0.00 54.79 55.46 1mux n ASP 133 Cb 0.28 -4.67 0.00 0.00 -0.64 0.00 0.00 41.12 36.09 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mux n GLY 134 N 1.48 3.12 3.33 0.44 0.00 -1.26 -5.02 105.19 107.29 1mux n GLY 134 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.70 0.87 0.08 1.61 -2.07 -1.26 -4.70 119.66 113.49 1mux s GLN 135 Ca 0.00 -0.19 0.09 0.00 -1.82 0.00 0.00 55.36 53.44 1mux s GLN 135 Cb 0.00 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1mux s GLN 135 CO 0.00 -0.28 -0.23 0.08 -1.32 0.00 0.00 175.29 173.54 1mux s VAL 136 N -1.87 2.45 0.57 3.63 1.01 -0.88 -4.13 120.40 121.18 1mux s VAL 136 Ca -0.09 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.49 1mux s VAL 136 Cb -0.02 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.39 1mux s VAL 136 CO 0.02 0.23 0.57 0.20 0.00 0.00 0.00 175.10 176.13 1mux s ASN 137 N -1.68 4.78 -0.06 3.32 -0.87 -1.26 -2.01 114.94 117.17 1mux s ASN 137 Ca 0.14 -1.13 -0.26 0.00 -1.57 0.00 0.00 52.86 50.04 1mux s ASN 137 Cb -0.10 0.47 -0.22 0.00 -0.02 0.00 0.00 41.25 41.38 1mux s ASN 137 CO 0.05 -1.26 1.08 0.22 -2.57 0.00 0.00 177.10 174.63 1mux h TYR 138 N 0.47 0.05 -0.84 2.20 3.20 -1.99 -1.35 116.97 118.71 1mux h TYR 138 Ca -0.33 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.54 1mux h TYR 138 Cb 1.30 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 1mux h TYR 138 CO 0.79 0.72 0.55 0.93 -1.64 0.00 0.00 178.16 179.50 1mux h GLU 139 N -0.63 1.06 -0.23 1.82 5.08 -2.00 -1.04 114.58 118.64 1mux h GLU 139 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1mux h GLU 139 Cb 0.72 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1mux h GLU 139 CO 0.01 0.70 -0.12 1.49 -1.00 0.00 0.00 179.01 180.08 1mux h GLU 140 N 1.09 0.37 0.00 2.33 4.81 -1.94 -2.10 114.58 119.15 1mux h GLU 140 Ca 0.32 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1mux h GLU 140 Cb -0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1mux h GLU 140 CO -0.09 0.50 -0.25 0.35 -0.73 0.00 0.00 179.01 178.79 1mux h PHE 141 N 0.35 0.00 0.15 0.92 3.04 -0.01 -2.01 116.94 119.38 1mux h PHE 141 Ca 0.07 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.72 1mux h PHE 141 Cb 0.43 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.95 1mux h PHE 141 CO 0.01 0.25 -1.39 0.28 -2.02 0.00 0.00 178.31 175.44 1mux h VAL 142 N 0.00 1.34 0.00 1.41 2.07 -0.81 -3.21 116.25 117.04 1mux h VAL 142 Ca -0.00 -2.90 -0.13 0.00 0.82 0.00 0.00 66.70 64.49 1mux h VAL 142 Cb 0.64 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1mux h VAL 142 CO 0.03 0.86 -0.62 -0.61 0.02 0.00 0.00 177.57 177.25 1mux h GLN 143 N 0.09 0.00 0.00 1.57 4.15 -1.24 -2.65 115.11 117.03 1mux h GLN 143 Ca -0.20 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.14 1mux h GLN 143 Cb 2.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.71 1mux h GLN 143 CO 0.20 0.62 -0.40 0.00 -1.93 0.00 0.00 178.83 177.32 1mux h MET 144 N 0.00 0.00 0.00 1.69 -0.00 -1.45 -3.37 114.93 111.80 1mux h MET 144 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1mux h MET 144 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 1mux h MET 144 CO 0.08 0.40 -0.08 0.52 -0.00 0.00 0.00 176.91 177.83 1mux h MET 145 N 0.00 0.00 -6.52 -0.10 2.86 -1.53 -3.46 114.93 106.17 1mux h MET 145 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1mux h MET 145 Cb 1.04 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.73 1mux h MET 145 CO 0.05 0.00 0.94 0.95 1.06 0.00 0.00 176.91 179.91 1mux s THR 146 N -1.24 2.84 0.00 2.22 -4.23 -1.01 -5.00 115.64 109.23 1mux s THR 146 Ca -0.02 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1mux s THR 146 Cb 0.00 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1mux s THR 146 CO 0.04 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.13 1mux n ALA 147 N 4.81 0.00 -1.83 3.99 0.00 -1.26 -4.77 120.51 121.45 1mux n ALA 147 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1mux n ALA 147 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1mux n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86