#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux s ASP 2 N 0.00 -0.30 -0.01 0.00 -1.08 -1.26 -5.16 116.67 108.86 1mux s ASP 2 Ca 0.00 0.97 -0.04 0.00 -0.52 0.00 0.00 52.55 52.97 1mux s ASP 2 Cb 0.00 1.23 -0.00 0.00 -1.46 0.00 0.00 42.92 42.69 1mux s ASP 2 CO 0.00 -0.22 0.08 -1.10 0.52 0.00 0.00 175.17 174.45 1mux s GLN 3 N 2.37 0.28 0.00 4.34 -0.21 -1.26 -5.05 119.66 120.14 1mux s GLN 3 Ca -0.03 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1mux s GLN 3 Cb -0.11 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.01 1mux s GLN 3 CO -0.13 -0.06 0.00 1.47 -2.12 0.00 0.00 175.29 174.46 1mux n LEU 4 N 2.16 0.00 -3.50 2.90 -0.00 -1.26 -5.10 117.00 112.20 1mux n LEU 4 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.69 1mux n LEU 4 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1mux n LEU 4 CO 0.22 0.00 0.34 0.42 -0.00 0.00 0.00 177.39 178.37 1mux s THR 5 N -1.70 0.02 -1.15 1.47 -4.23 -1.26 -5.03 115.64 103.75 1mux s THR 5 Ca 0.00 -0.14 0.26 0.00 -1.18 0.00 0.00 61.69 60.62 1mux s THR 5 Cb 0.00 -1.02 0.09 0.00 1.34 0.00 0.00 72.50 72.91 1mux s THR 5 CO 0.00 -0.08 1.50 -0.62 -0.54 0.00 0.00 174.62 174.88 1mux n GLU 6 N -0.00 0.17 0.29 3.99 4.71 -1.26 -4.22 120.64 124.31 1mux n GLU 6 Ca -0.17 -0.09 -0.15 0.00 -0.01 0.00 0.00 57.16 56.73 1mux n GLU 6 Cb 0.63 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.48 1mux n GLU 6 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1mux h GLU 7 N 0.22 -0.72 -0.58 3.49 4.81 -1.98 -1.82 114.58 117.99 1mux h GLU 7 Ca 0.00 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1mux h GLU 7 Cb 0.49 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1mux h GLU 7 CO 0.00 -0.42 -0.23 1.96 -0.73 0.00 0.00 179.01 179.60 1mux h GLN 8 N -0.98 -0.08 -0.20 1.92 7.50 -2.01 -0.18 115.11 121.09 1mux h GLN 8 Ca -0.08 0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.11 1mux h GLN 8 Cb 0.64 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.16 1mux h GLN 8 CO 0.13 -0.05 0.02 0.82 -1.50 0.00 0.00 178.83 178.24 1mux h ILE 9 N -0.08 0.89 -0.28 2.54 2.04 -1.76 -0.23 117.51 120.63 1mux h ILE 9 Ca 0.27 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.18 1mux h ILE 9 Cb 0.50 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1mux h ILE 9 CO -0.64 0.02 0.29 0.00 0.00 0.00 0.00 178.15 177.82 1mux h ALA 10 N 1.15 1.97 0.29 1.87 0.00 -0.20 -1.32 119.26 123.02 1mux h ALA 10 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mux h ALA 10 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mux h ALA 10 CO -0.14 -0.44 -0.14 1.49 0.00 0.00 0.00 179.25 180.03 1mux h GLU 11 N 0.00 -0.38 -0.12 0.00 4.81 0.41 -2.38 114.58 116.92 1mux h GLU 11 Ca 0.13 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1mux h GLU 11 Cb 0.72 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1mux h GLU 11 CO -0.00 -0.11 0.21 0.74 -0.73 0.00 0.00 179.01 179.11 1mux h PHE 12 N -1.03 0.00 0.01 0.92 0.04 -0.96 -0.61 116.94 115.31 1mux h PHE 12 Ca -0.04 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.47 1mux h PHE 12 Cb 0.44 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.61 1mux h PHE 12 CO 0.03 0.00 -1.03 0.87 -0.60 0.00 0.00 178.31 177.59 1mux h LYS 13 N 0.00 0.68 0.25 1.51 1.57 -1.19 -1.83 116.57 117.56 1mux h LYS 13 Ca 0.06 -0.74 -0.01 0.00 -1.87 0.00 0.00 60.65 58.08 1mux h LYS 13 Cb 0.47 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1mux h LYS 13 CO -0.00 1.32 -0.12 1.49 -0.57 0.00 0.00 179.45 181.57 1mux h GLU 14 N 0.35 -0.32 -0.25 3.15 4.57 -0.57 -2.36 114.58 119.14 1mux h GLU 14 Ca -0.13 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1mux h GLU 14 Cb 1.69 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.34 1mux h GLU 14 CO 0.20 -0.12 0.13 0.00 -1.18 0.00 0.00 179.01 178.04 1mux h ALA 15 N 0.25 0.32 -0.65 2.92 0.00 -1.58 -2.69 119.26 117.83 1mux h ALA 15 Ca -0.03 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1mux h ALA 15 Cb 0.35 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1mux h ALA 15 CO 0.06 -0.14 -0.08 0.35 0.00 0.00 0.00 179.25 179.44 1mux h PHE 16 N 0.28 -0.19 -0.75 0.00 3.04 -1.25 0.16 116.94 118.23 1mux h PHE 16 Ca 0.09 0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.12 1mux h PHE 16 Cb 0.09 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 1mux h PHE 16 CO -0.03 -0.23 0.48 1.03 -2.02 0.00 0.00 178.31 177.53 1mux h SER 17 N 0.05 0.79 -0.79 0.41 0.87 -1.18 -1.63 113.55 112.07 1mux h SER 17 Ca 0.33 -0.00 0.17 0.00 -1.23 0.00 0.00 61.79 61.06 1mux h SER 17 Cb 0.53 -0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.21 1mux h SER 17 CO -0.62 0.55 0.28 0.25 -0.53 0.00 0.00 176.83 176.76 1mux h LEU 18 N 0.93 0.19 -0.42 2.23 6.46 -0.36 0.76 115.31 125.10 1mux h LEU 18 Ca 0.30 0.14 -0.17 0.00 -0.12 0.00 0.00 57.88 58.03 1mux h LEU 18 Cb -0.00 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1mux h LEU 18 CO -0.10 0.02 -0.79 -0.26 -0.62 0.00 0.00 178.44 176.68 1mux h PHE 19 N 0.36 0.03 -3.38 1.25 0.04 -1.04 -3.42 116.94 110.78 1mux h PHE 19 Ca 0.46 -0.02 -0.56 0.00 2.80 0.00 0.00 57.97 60.65 1mux h PHE 19 Cb 0.79 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.86 1mux h PHE 19 CO -0.20 0.80 0.94 0.34 -0.60 0.00 0.00 178.31 179.59 1mux s ASP 20 N -6.80 6.51 -0.16 2.17 -1.08 0.26 -4.25 116.67 113.31 1mux s ASP 20 Ca -0.01 0.21 0.07 0.00 -0.52 0.00 0.00 52.55 52.30 1mux s ASP 20 Cb 0.11 -2.55 -0.15 0.00 -1.46 0.00 0.00 42.92 38.88 1mux s ASP 20 CO 0.79 -1.39 -0.06 0.29 0.52 0.00 0.00 175.17 175.32 1mux n LYS 21 N 8.18 1.02 0.24 4.34 5.02 -1.26 -4.45 118.16 131.25 1mux n LYS 21 Ca 0.09 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1mux n LYS 21 Cb 0.49 -1.37 0.44 0.00 -0.02 0.00 0.00 35.03 34.57 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 -4.01 4.39 2.03 -1.95 -3.49 116.42 113.39 1mux h ASP 22 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1mux h ASP 22 Cb 1.75 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 40.18 1mux h ASP 22 CO -0.02 0.09 -0.82 0.61 -1.03 0.00 0.00 179.24 178.06 1mux n GLY 23 N 0.46 -4.17 0.00 7.15 0.00 -1.26 -5.03 105.19 102.34 1mux n GLY 23 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 0.88 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 118.50 1mux n ASP 24 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1mux n ASP 24 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 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 -0.18 1.89 3.64 6.12 0.00 -1.26 -5.12 105.19 110.28 1mux n GLY 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.16 2.61 -4.23 -1.26 -4.04 115.64 106.55 1mux s THR 26 Ca 0.00 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1mux s THR 26 Cb 0.00 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.70 1mux s THR 26 CO 0.00 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.40 1mux s ILE 27 N -3.97 1.06 0.50 2.99 1.01 -0.76 -4.76 121.20 117.27 1mux s ILE 27 Ca 0.20 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1mux s ILE 27 Cb -0.02 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.25 1mux s ILE 27 CO 0.09 0.13 0.61 -0.89 0.00 0.00 0.00 174.94 174.88 1mux s THR 28 N 1.65 2.42 0.03 2.92 2.01 -1.26 -2.41 115.64 121.00 1mux s THR 28 Ca 0.01 -1.12 0.29 0.00 0.31 0.00 0.00 61.69 61.18 1mux s THR 28 Cb -0.15 -2.53 0.33 0.00 0.01 0.00 0.00 72.50 70.15 1mux s THR 28 CO -0.08 0.00 1.87 0.71 -0.69 0.00 0.00 174.62 176.43 1mux h THR 29 N 0.52 0.20 0.36 -0.82 1.35 -1.98 -2.60 112.91 109.94 1mux h THR 29 Ca -0.36 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 64.67 1mux h THR 29 Cb 1.28 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1mux h THR 29 CO 0.47 0.08 -0.17 0.50 -0.25 0.00 0.00 175.52 176.15 1mux h LYS 30 N 0.00 -0.47 0.77 4.72 3.64 -1.98 -0.52 116.57 122.73 1mux h LYS 30 Ca -0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1mux h LYS 30 Cb 0.68 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1mux h LYS 30 CO 0.01 -0.19 -0.37 0.93 -2.27 0.00 0.00 179.45 177.57 1mux h GLU 31 N -1.02 -0.99 -0.92 1.90 5.08 -1.86 -2.12 114.58 114.64 1mux h GLU 31 Ca -0.05 0.07 0.20 0.00 -1.00 0.00 0.00 59.36 58.58 1mux h GLU 31 Cb 0.50 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1mux h GLU 31 CO 0.08 -0.66 0.60 1.25 -1.00 0.00 0.00 179.01 179.29 1mux h LEU 32 N -1.04 0.44 -0.46 1.33 5.85 -1.59 0.10 115.31 119.95 1mux h LEU 32 Ca -0.11 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1mux h LEU 32 Cb 0.79 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1mux h LEU 32 CO 0.17 0.17 0.14 1.23 -0.34 0.00 0.00 178.44 179.82 1mux h GLY 33 N 0.44 0.59 1.89 3.75 0.00 -0.41 0.44 103.07 109.77 1mux h GLY 33 Ca 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1mux h GLY 33 CO -0.20 -0.00 -0.11 -0.84 0.00 0.00 0.00 176.54 175.39 1mux h THR 34 N 0.30 1.14 -0.08 4.70 2.02 -0.47 -0.90 112.91 119.61 1mux h THR 34 Ca 0.22 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 1mux h THR 34 Cb 0.24 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1mux h THR 34 CO -0.24 0.18 -0.33 0.58 0.37 0.00 0.00 175.52 176.08 1mux h VAL 35 N 0.14 1.27 0.00 3.16 2.07 -0.53 -1.78 116.25 120.58 1mux h VAL 35 Ca 0.03 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1mux h VAL 35 Cb 0.28 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1mux h VAL 35 CO 0.02 0.38 -0.75 0.23 0.02 0.00 0.00 177.57 177.46 1mux n MET 36 N -4.11 0.26 -0.00 1.57 2.81 -0.70 -2.90 117.12 114.04 1mux n MET 36 Ca -0.01 0.05 -0.10 0.00 -1.81 0.00 0.00 57.70 55.82 1mux n MET 36 Cb 0.41 -1.63 -0.14 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.05 0.00 0.03 2.43 -0.82 -2.43 114.38 113.64 1mux h ARG 37 Ca 0.00 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1mux h ARG 37 Cb 0.71 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1mux h ARG 37 CO 0.00 0.67 -1.43 -1.13 -1.51 0.00 0.00 179.97 176.57 1mux n SER 38 N -3.15 0.74 -0.02 -3.80 3.41 -0.70 -4.12 113.62 105.98 1mux n SER 38 Ca -0.17 0.32 -0.02 0.00 -0.26 0.00 0.00 58.87 58.74 1mux n SER 38 Cb 1.04 0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.79 0.49 -3.72 1.04 -0.00 -1.14 -4.86 117.00 106.03 1mux n LEU 39 Ca -0.08 0.29 -0.29 0.00 -0.00 0.00 0.00 56.01 55.92 1mux n LEU 39 Cb 0.77 -0.59 -0.13 0.00 -0.00 0.00 0.00 43.42 43.47 1mux n LEU 39 CO 0.43 -0.48 -0.24 -0.83 -0.00 0.00 0.00 177.39 176.27 1mux s GLY 40 N -3.11 1.73 -0.06 -3.96 0.00 -1.11 -5.07 107.32 95.74 1mux s GLY 40 Ca -0.05 -2.65 -0.30 0.00 0.00 0.00 0.00 44.72 41.72 1mux s GLY 40 CO 0.07 1.52 2.06 -0.18 0.00 0.00 0.00 173.10 176.58 1mux n GLN 41 N 3.46 2.52 0.09 2.90 7.27 -0.93 -4.41 117.38 128.28 1mux n GLN 41 Ca 0.09 0.86 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1mux n GLN 41 Cb 0.35 -3.07 0.00 0.00 2.41 0.00 0.00 30.24 29.92 1mux n GLN 41 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1mux n ASN 42 N 8.97 -1.59 -4.77 1.69 3.02 -1.26 -5.05 115.26 116.26 1mux n ASN 42 Ca 0.24 0.61 -0.38 0.00 -0.03 0.00 0.00 54.58 55.02 1mux n ASN 42 Cb 0.42 1.76 -0.04 0.00 -0.61 0.00 0.00 39.78 41.31 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1mux s PRO 43 N -1.90 4.28 0.00 3.52 0.04 -1.26 -5.05 135.00 134.63 1mux s PRO 43 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1mux s PRO 43 Cb 0.00 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1mux s PRO 43 CO 0.00 -0.06 0.00 -2.37 0.04 0.00 0.00 177.00 174.61 1mux n THR 44 N 0.27 0.00 -0.00 1.26 5.66 -1.26 -4.85 114.28 115.35 1mux n THR 44 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.94 1mux n THR 44 Cb 0.48 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.12 1mux n THR 44 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1mux h GLU 45 N 0.00 0.03 0.18 1.09 5.08 -1.97 -3.06 114.58 115.93 1mux h GLU 45 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1mux h GLU 45 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1mux h GLU 45 CO 0.00 0.64 -0.09 0.00 -1.00 0.00 0.00 179.01 178.56 1mux h ALA 46 N 0.93 -0.41 -0.47 3.43 0.00 -1.99 -2.04 119.26 118.71 1mux h ALA 46 Ca -0.24 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1mux h ALA 46 Cb 1.98 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.78 1mux h ALA 46 CO 0.09 -0.39 0.01 0.93 0.00 0.00 0.00 179.25 179.89 1mux h GLU 47 N -0.59 0.12 -0.95 0.00 5.08 -1.96 0.18 114.58 116.46 1mux h GLU 47 Ca -0.02 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 1mux h GLU 47 Cb 0.19 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.31 1mux h GLU 47 CO 0.04 0.08 0.56 1.25 -1.00 0.00 0.00 179.01 179.94 1mux h LEU 48 N 0.12 0.73 -0.68 1.33 6.46 -1.64 0.10 115.31 121.73 1mux h LEU 48 Ca 0.24 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 58.19 1mux h LEU 48 Cb 0.35 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.16 1mux h LEU 48 CO -0.39 0.30 0.30 -0.61 -0.62 0.00 0.00 178.44 177.42 1mux h GLN 49 N 0.76 0.50 -0.59 1.25 5.75 0.13 -0.61 115.11 122.30 1mux h GLN 49 Ca 0.53 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 59.04 1mux h GLN 49 Cb 0.75 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 1mux h GLN 49 CO -0.36 0.33 0.34 -0.44 -2.65 0.00 0.00 178.83 176.05 1mux h ASP 50 N 0.51 0.53 -0.02 -0.69 5.19 -0.49 0.21 116.42 121.66 1mux h ASP 50 Ca 0.34 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1mux h ASP 50 Cb 0.41 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1mux h ASP 50 CO -0.30 0.36 0.02 0.24 -3.12 0.00 0.00 179.24 176.44 1mux h MET 51 N 0.65 0.00 0.00 3.56 2.86 -0.81 -0.69 114.93 120.50 1mux h MET 51 Ca 0.25 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.72 1mux h MET 51 Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1mux h MET 51 CO -0.13 0.00 -0.82 0.82 1.06 0.00 0.00 176.91 177.84 1mux h ILE 52 N 0.00 1.54 -0.33 -1.22 1.08 -0.22 -3.13 117.51 115.23 1mux h ILE 52 Ca 0.01 -2.84 -0.09 0.00 -0.39 0.00 0.00 64.86 61.55 1mux h ILE 52 Cb 0.05 2.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1mux h ILE 52 CO -0.00 0.80 -0.15 0.78 -0.69 0.00 0.00 178.15 178.89 1mux h ASN 53 N 0.00 0.70 0.60 1.72 4.21 -0.51 -0.60 115.58 121.70 1mux h ASN 53 Ca -0.01 -0.41 -0.04 0.00 1.21 0.00 0.00 56.30 57.06 1mux h ASN 53 Cb 1.48 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.49 1mux h ASN 53 CO 0.11 0.95 -0.20 1.05 -1.29 0.00 0.00 177.43 178.05 1mux h GLU 54 N 0.45 0.00 0.00 0.81 4.11 -1.57 -2.70 114.58 115.67 1mux h GLU 54 Ca 0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.45 1mux h GLU 54 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1mux h GLU 54 CO 0.05 0.20 -1.06 0.28 0.07 0.00 0.00 179.01 178.55 1mux h VAL 55 N 0.00 0.16 -3.44 -1.06 2.07 -1.46 -3.43 116.25 109.09 1mux h VAL 55 Ca -0.00 -1.31 -0.72 0.00 0.82 0.00 0.00 66.70 65.49 1mux h VAL 55 Cb 0.55 1.69 -0.23 0.00 -1.52 0.00 0.00 31.29 31.79 1mux h VAL 55 CO 0.03 0.09 -0.41 -0.62 0.02 0.00 0.00 177.57 176.67 1mux s ASP 56 N -5.55 6.01 -0.14 0.57 2.15 -0.25 -4.88 116.67 114.58 1mux s ASP 56 Ca -0.01 -1.13 0.13 0.00 0.43 0.00 0.00 52.55 51.97 1mux s ASP 56 Cb 0.09 -2.13 0.62 0.00 -0.30 0.00 0.00 42.92 41.20 1mux s ASP 56 CO 0.79 -0.52 1.47 0.00 -0.17 0.00 0.00 175.17 176.75 1mux n ALA 57 N 5.12 3.28 -0.08 3.66 0.00 -1.26 -4.33 120.51 126.91 1mux n ALA 57 Ca -0.12 -1.38 -0.16 0.00 0.00 0.00 0.00 53.44 51.78 1mux n ALA 57 Cb 0.45 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 0.69 1.32 0.00 0.00 8.00 -1.26 -5.04 116.55 120.26 1mux n ASP 58 Ca 0.21 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1mux n ASP 58 Cb 0.87 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 59 N 1.97 1.77 0.03 0.44 0.00 -1.26 -5.00 105.19 103.14 1mux n GLY 59 Ca -0.29 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1mux n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mux n ASN 60 N 0.00 0.48 0.00 1.61 4.13 -1.26 -4.94 115.26 115.27 1mux n ASN 60 Ca 0.00 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.04 1mux n ASN 60 Cb 0.00 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mux n GLY 61 N 1.47 2.37 3.72 7.41 0.00 -1.26 -4.99 105.19 113.91 1mux n GLY 61 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.78 3.75 0.29 2.61 -4.23 -1.26 -4.87 115.64 111.15 1mux s THR 62 Ca 0.00 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1mux s THR 62 Cb 0.00 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1mux s THR 62 CO 0.00 -0.34 0.48 -0.63 -0.54 0.00 0.00 174.62 173.59 1mux s ILE 63 N -2.27 5.15 0.04 2.99 1.01 -1.01 -4.91 121.20 122.20 1mux s ILE 63 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1mux s ILE 63 Cb -0.06 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1mux s ILE 63 CO 0.22 -0.41 0.02 0.47 0.00 0.00 0.00 174.94 175.24 1mux n ASP 64 N -1.39 1.50 -0.00 3.58 9.92 -1.26 -1.83 116.55 127.06 1mux n ASP 64 Ca -0.05 -1.14 -0.17 0.00 -0.53 0.00 0.00 54.79 52.90 1mux n ASP 64 Cb 0.56 0.01 -0.12 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.71 0.40 0.00 1.24 3.04 -1.97 -2.74 116.94 117.61 1mux h PHE 65 Ca -0.03 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.68 1mux h PHE 65 Cb 0.09 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1mux h PHE 65 CO 0.00 1.10 0.00 -1.00 -2.02 0.00 0.00 178.31 176.39 1mux h PRO 66 N -0.40 0.00 0.09 6.41 0.13 -1.97 -2.67 132.00 133.59 1mux h PRO 66 Ca -0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.77 1mux h PRO 66 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1mux h PRO 66 CO 0.09 0.00 -1.49 0.93 -0.23 0.00 0.00 178.00 177.30 1mux h GLU 67 N 0.00 0.19 -0.36 0.86 5.08 -1.95 -2.10 114.58 116.30 1mux h GLU 67 Ca 0.00 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1mux h GLU 67 Cb 0.54 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1mux h GLU 67 CO 0.00 1.03 -0.40 0.35 -1.00 0.00 0.00 179.01 178.99 1mux h PHE 68 N 0.05 1.10 0.04 4.33 3.04 -1.31 -1.87 116.94 122.32 1mux h PHE 68 Ca -0.22 -0.34 -0.27 0.00 3.98 0.00 0.00 57.97 61.12 1mux h PHE 68 Cb 1.99 -0.23 0.02 0.00 2.56 0.00 0.00 35.95 40.29 1mux h PHE 68 CO 0.05 1.17 -1.09 1.25 -2.02 0.00 0.00 178.31 177.67 1mux h LEU 69 N 0.72 0.80 -1.23 0.59 5.85 -1.59 -2.82 115.31 117.63 1mux h LEU 69 Ca 0.05 -0.68 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 1mux h LEU 69 Cb 1.00 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1mux h LEU 69 CO 0.10 1.48 -0.11 0.74 -0.34 0.00 0.00 178.44 180.30 1mux h THR 70 N 0.31 0.29 0.00 1.05 2.02 -1.39 -0.08 112.91 115.12 1mux h THR 70 Ca -0.14 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 1mux h THR 70 Cb 1.74 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1mux h THR 70 CO 0.21 0.11 -0.28 -0.03 0.37 0.00 0.00 175.52 175.90 1mux h MET 71 N 0.00 0.00 0.00 6.66 1.85 -1.34 -3.33 114.93 118.77 1mux h MET 71 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1mux h MET 71 Cb 0.65 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.68 1mux h MET 71 CO 0.01 0.90 0.00 -1.33 -0.40 0.00 0.00 176.91 176.09 1mux n MET 72 N -4.59 0.03 0.22 0.39 2.81 -1.07 -3.21 117.12 111.70 1mux n MET 72 Ca -0.14 0.02 0.11 0.00 -1.81 0.00 0.00 57.70 55.88 1mux n MET 72 Cb 0.48 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.82 1mux n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux h ALA 73 N 2.98 0.94 -0.95 3.04 0.00 -1.11 -3.19 119.26 120.97 1mux h ALA 73 Ca 0.00 -0.15 -0.65 0.00 0.00 0.00 0.00 54.91 54.11 1mux h ALA 73 Cb 0.46 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 17.89 1mux h ALA 73 CO 0.00 0.20 0.36 -2.13 0.00 0.00 0.00 179.25 177.68 1mux n ARG 74 N -3.21 2.98 -3.97 0.00 0.63 -1.20 -4.98 116.66 106.93 1mux n ARG 74 Ca 0.02 -3.60 -0.18 0.00 -0.92 0.00 0.00 57.85 53.17 1mux n ARG 74 Cb 0.49 -2.28 -0.07 0.00 0.45 0.00 0.00 32.46 31.05 1mux n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1mux n LYS 75 N -0.81 0.39 -0.59 -0.14 5.02 -1.21 -5.10 118.16 115.71 1mux n LYS 75 Ca 0.56 -2.92 -0.30 0.00 -2.02 0.00 0.00 58.31 53.63 1mux n LYS 75 Cb 0.71 2.30 0.21 0.00 -0.02 0.00 0.00 35.03 38.22 1mux n LYS 75 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1mux n MET 76 N -0.58 -1.46 -3.61 1.97 1.56 -1.26 -5.04 117.12 108.69 1mux n MET 76 Ca 0.05 -0.38 -0.17 0.00 -0.27 0.00 0.00 57.70 56.93 1mux n MET 76 Cb 0.53 -2.18 -0.05 0.00 2.15 0.00 0.00 33.22 33.68 1mux n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1mux n LYS 77 N -4.15 0.76 -3.59 2.12 2.85 -1.26 -5.02 118.16 109.87 1mux n LYS 77 Ca 0.06 -2.30 -0.19 0.00 -1.05 0.00 0.00 58.31 54.83 1mux n LYS 77 Cb 0.54 1.18 -0.15 0.00 -0.65 0.00 0.00 35.03 35.95 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 -2.68 1.33 -0.35 -5.58 2.15 -1.26 -5.02 116.67 105.27 1mux s ASP 78 Ca 0.12 -0.08 0.14 0.00 0.43 0.00 0.00 52.55 53.15 1mux s ASP 78 Cb 0.01 0.21 0.42 0.00 -0.30 0.00 0.00 42.92 43.26 1mux s ASP 78 CO 0.09 -0.30 1.32 0.41 -0.17 0.00 0.00 175.17 176.52 1mux n THR 79 N 5.31 0.34 -2.73 1.71 -1.04 -1.26 -4.95 114.28 111.66 1mux n THR 79 Ca -0.05 -1.79 -0.03 0.00 -2.04 0.00 0.00 64.05 60.14 1mux n THR 79 Cb 0.50 0.99 0.09 0.00 -1.82 0.00 0.00 70.33 70.09 1mux n THR 79 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1mux n ASP 80 N -0.83 -0.17 -2.67 8.00 5.68 -1.26 -5.13 116.55 120.18 1mux n ASP 80 Ca -0.05 -2.24 -0.14 0.00 -0.50 0.00 0.00 54.79 51.86 1mux n ASP 80 Cb 0.85 0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 40.97 1mux n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1mux n SER 81 N -0.94 -0.62 -1.31 -1.12 7.64 -1.26 -5.17 113.62 110.83 1mux n SER 81 Ca -0.04 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1mux n SER 81 Cb 0.84 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 65.43 1mux n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1mux n GLU 82 N -0.48 3.22 0.00 1.43 4.07 -1.26 -5.12 120.64 122.51 1mux n GLU 82 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1mux n GLU 82 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1mux n GLU 82 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1mux n GLU 83 N 0.00 0.00 -0.10 5.31 -0.58 -1.26 -4.92 120.64 119.10 1mux n GLU 83 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1mux n GLU 83 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 1mux n GLU 83 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1mux n GLU 84 N 0.00 0.88 -0.18 3.49 1.02 -1.26 -4.31 120.64 120.27 1mux n GLU 84 Ca 0.00 0.02 0.20 0.00 -0.02 0.00 0.00 57.16 57.36 1mux n GLU 84 Cb 0.00 -1.48 0.57 0.00 -0.02 0.00 0.00 31.44 30.51 1mux n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1mux h ILE 85 N 0.00 0.70 -0.23 -3.67 2.04 -2.00 0.15 117.51 114.50 1mux h ILE 85 Ca -0.51 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1mux h ILE 85 Cb 2.09 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1mux h ILE 85 CO 0.01 0.05 0.06 -0.09 0.00 0.00 0.00 178.15 178.18 1mux h ARG 86 N 0.29 0.37 -0.20 2.37 2.43 -1.92 -2.10 114.38 115.63 1mux h ARG 86 Ca 0.41 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 1mux h ARG 86 Cb 1.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1mux h ARG 86 CO -0.11 0.47 0.16 0.93 -1.51 0.00 0.00 179.97 179.90 1mux h GLU 87 N 0.21 0.00 0.51 0.20 3.07 -1.19 -2.57 114.58 114.81 1mux h GLU 87 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1mux h GLU 87 Cb 0.26 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1mux h GLU 87 CO -0.00 0.00 -0.25 0.00 -1.40 0.00 0.00 179.01 177.36 1mux h ALA 88 N 1.88 -0.89 -0.93 3.43 0.00 -0.87 -2.55 119.26 119.33 1mux h ALA 88 Ca 0.10 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.13 1mux h ALA 88 Cb 0.41 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1mux h ALA 88 CO -0.00 -0.84 0.71 0.35 0.00 0.00 0.00 179.25 179.47 1mux h PHE 89 N -0.90 0.00 0.30 0.00 3.57 -1.25 -1.43 116.94 117.24 1mux h PHE 89 Ca -0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1mux h PHE 89 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1mux h PHE 89 CO 0.05 0.00 -0.15 0.00 -2.23 0.00 0.00 178.31 175.98 1mux h ARG 90 N 0.00 -0.39 0.00 1.11 2.47 -1.31 -0.20 114.38 116.07 1mux h ARG 90 Ca 0.44 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.19 1mux h ARG 90 Cb 1.85 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 30.26 1mux h ARG 90 CO -0.00 -0.06 -0.01 -0.39 0.56 0.00 0.00 179.97 180.07 1mux h VAL 91 N -0.83 0.08 0.00 2.04 -1.51 -0.88 -1.40 116.25 113.75 1mux h VAL 91 Ca -0.04 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1mux h VAL 91 Cb 0.52 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1mux h VAL 91 CO 0.07 0.01 -0.88 0.49 -1.23 0.00 0.00 177.57 176.03 1mux n PHE 92 N -3.17 0.30 -3.23 5.19 3.72 -0.67 -4.41 117.46 115.18 1mux n PHE 92 Ca -0.02 0.09 -0.26 0.00 -0.05 0.00 0.00 57.45 57.21 1mux n PHE 92 Cb 0.16 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.18 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 -1.94 3.34 -3.64 4.37 2.03 -0.10 -4.73 116.55 115.89 1mux n ASP 93 Ca 0.03 -3.40 -0.41 0.00 0.52 0.00 0.00 54.79 51.53 1mux n ASP 93 Cb 0.42 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.20 1mux n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1mux n LYS 94 N 0.54 4.89 0.00 -0.67 5.02 -1.23 -4.24 118.16 122.47 1mux n LYS 94 Ca 0.29 -4.13 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 1mux n LYS 94 Cb 0.44 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 95 N 1.06 0.00 0.00 4.39 5.68 -1.26 -5.04 116.55 121.38 1mux n ASP 95 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 1mux n ASP 95 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 96 N -0.91 1.11 0.08 6.12 0.00 -1.26 -5.06 105.19 105.27 1mux n GLY 96 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.85 0.00 1.61 4.05 -1.26 -5.02 115.26 116.49 1mux n ASN 97 Ca 0.00 0.52 0.00 0.00 0.45 0.00 0.00 54.58 55.55 1mux n ASN 97 Cb 0.00 -0.85 0.00 0.00 1.23 0.00 0.00 39.78 40.16 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mux n GLY 98 N 1.54 1.75 3.23 8.20 0.00 -1.26 -5.09 105.19 113.56 1mux n GLY 98 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.63 1.23 -0.07 1.61 1.51 -1.26 -4.46 117.35 114.29 1mux s TYR 99 Ca 0.00 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.19 1mux s TYR 99 Cb 0.00 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 41.16 1mux s TYR 99 CO 0.00 0.07 0.39 0.42 -1.11 0.00 0.00 175.55 175.32 1mux s ILE 100 N -3.07 5.15 0.49 2.71 1.01 -0.57 -4.90 121.20 122.02 1mux s ILE 100 Ca 0.14 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.60 1mux s ILE 100 Cb 0.01 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1mux s ILE 100 CO 0.01 0.48 0.10 -0.55 0.00 0.00 0.00 174.94 174.97 1mux s SER 101 N -0.34 4.21 0.19 3.58 0.15 -1.26 -2.54 113.70 117.69 1mux s SER 101 Ca 0.22 -1.47 -0.05 0.00 0.70 0.00 0.00 55.95 55.35 1mux s SER 101 Cb -0.15 0.23 0.11 0.00 -1.71 0.00 0.00 66.02 64.49 1mux s SER 101 CO 0.10 -0.79 1.54 0.00 1.20 0.00 0.00 173.24 175.29 1mux h ALA 102 N 1.32 0.73 0.86 5.45 0.00 -1.97 -2.75 119.26 122.90 1mux h ALA 102 Ca -0.43 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.00 1mux h ALA 102 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mux h ALA 102 CO 0.72 0.66 -0.45 0.00 0.00 0.00 0.00 179.25 180.18 1mux h ALA 103 N 0.96 -1.21 -0.47 0.00 0.00 -1.98 -1.72 119.26 114.84 1mux h ALA 103 Ca 0.05 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1mux h ALA 103 Cb 0.94 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1mux h ALA 103 CO 0.09 -1.19 0.01 0.93 0.00 0.00 0.00 179.25 179.09 1mux h GLU 104 N -1.20 0.12 -0.77 0.00 5.08 -1.90 0.45 114.58 116.38 1mux h GLU 104 Ca -0.12 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 1mux h GLU 104 Cb 0.93 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1mux h GLU 104 CO 0.17 0.08 0.51 1.25 -1.00 0.00 0.00 179.01 180.02 1mux h LEU 105 N 0.13 0.43 -0.81 1.33 5.85 -1.33 0.26 115.31 121.17 1mux h LEU 105 Ca 0.23 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 1mux h LEU 105 Cb 0.34 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1mux h LEU 105 CO -0.38 0.22 -0.46 -0.09 -0.34 0.00 0.00 178.44 177.40 1mux h ARG 106 N 0.46 0.31 -0.43 1.25 2.43 0.02 -2.20 114.38 116.23 1mux h ARG 106 Ca 0.38 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1mux h ARG 106 Cb 0.82 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1mux h ARG 106 CO -0.13 0.71 -0.23 0.45 -1.51 0.00 0.00 179.97 179.26 1mux h HIS 107 N 0.25 0.99 -0.01 2.20 3.86 -0.50 -2.84 115.15 119.11 1mux h HIS 107 Ca 0.02 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 1mux h HIS 107 Cb 0.91 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1mux h HIS 107 CO 0.02 1.01 -0.03 0.28 0.86 0.00 0.00 177.93 180.06 1mux h VAL 108 N 0.75 1.54 0.13 2.45 2.07 -1.38 -3.26 116.25 118.56 1mux h VAL 108 Ca 0.10 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.97 1mux h VAL 108 Cb 0.77 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 1mux h VAL 108 CO 0.06 0.43 -0.39 0.24 0.02 0.00 0.00 177.57 177.94 1mux h MET 109 N -0.65 -0.56 -1.17 1.57 2.07 -1.44 -0.31 114.93 114.43 1mux h MET 109 Ca -0.00 0.04 0.34 0.00 -2.07 0.00 0.00 59.70 58.01 1mux h MET 109 Cb 0.73 0.13 -0.05 0.00 -1.87 0.00 0.00 31.60 30.54 1mux h MET 109 CO 0.01 -0.38 1.01 1.79 1.07 0.00 0.00 176.91 180.41 1mux h THR 110 N -0.59 0.19 0.24 2.22 1.35 -1.64 0.31 112.91 115.00 1mux h THR 110 Ca -0.01 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.51 1mux h THR 110 Cb 0.57 0.25 0.03 0.00 -1.73 0.00 0.00 68.15 67.27 1mux h THR 110 CO -0.19 0.00 -1.54 0.78 -0.25 0.00 0.00 175.52 174.32 1mux h ASN 111 N 0.00 0.78 0.96 5.36 4.21 -1.13 -3.27 115.58 122.50 1mux h ASN 111 Ca 0.56 -0.90 0.00 0.00 1.21 0.00 0.00 56.30 57.17 1mux h ASN 111 Cb 2.57 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 39.52 1mux h ASN 111 CO -0.01 1.72 0.00 -0.07 -1.29 0.00 0.00 177.43 177.78 1mux h LEU 112 N 0.14 0.00 0.00 1.61 3.38 0.50 -3.46 115.31 117.48 1mux h LEU 112 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1mux h LEU 112 Cb 2.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.90 1mux h LEU 112 CO 0.25 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1mux n GLY 113 N 0.31 0.63 2.82 0.83 0.00 -0.63 -5.09 105.19 104.06 1mux n GLY 113 Ca 0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 0.06 0.95 -0.52 1.61 0.41 -1.10 -5.01 118.70 115.10 1mux s GLU 114 Ca 0.00 -1.28 -0.23 0.00 -0.41 0.00 0.00 54.97 53.04 1mux s GLU 114 Cb 0.00 -2.34 0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1mux s GLU 114 CO 0.00 -0.96 0.86 0.21 -0.49 0.00 0.00 175.26 174.88 1mux s LYS 115 N 1.42 3.32 0.36 1.61 2.20 -1.26 -4.18 119.74 123.22 1mux s LYS 115 Ca 0.10 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1mux s LYS 115 Cb -0.18 -4.03 -0.01 0.00 -1.51 0.00 0.00 37.83 32.10 1mux s LYS 115 CO -0.20 -1.36 0.12 1.28 -0.36 0.00 0.00 175.35 174.84 1mux n LEU 116 N 7.10 0.00 -4.88 5.43 4.32 -1.26 -5.16 117.00 122.56 1mux n LEU 116 Ca 0.01 -2.75 -0.25 0.00 -0.02 0.00 0.00 56.01 53.00 1mux n LEU 116 Cb 0.47 0.87 -0.04 0.00 -1.62 0.00 0.00 43.42 43.11 1mux n LEU 116 CO 0.61 -0.42 -0.14 -0.89 -1.22 0.00 0.00 177.39 175.33 1mux s THR 117 N -2.88 4.91 0.28 -5.08 2.01 -1.26 -4.99 115.64 108.63 1mux s THR 117 Ca 0.17 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1mux s THR 117 Cb 0.01 -3.55 0.27 0.00 0.01 0.00 0.00 72.50 69.24 1mux s THR 117 CO 0.12 -0.15 1.71 0.44 -0.69 0.00 0.00 174.62 176.05 1mux h ASP 118 N 2.08 0.33 -0.70 3.53 3.32 -2.01 0.83 116.42 123.80 1mux h ASP 118 Ca -0.49 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1mux h ASP 118 Cb 1.20 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 1mux h ASP 118 CO 0.65 0.05 0.42 -0.33 -1.72 0.00 0.00 179.24 178.30 1mux h GLU 119 N 0.44 0.96 0.22 3.56 5.08 -1.99 -2.38 114.58 120.46 1mux h GLU 119 Ca 0.52 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1mux h GLU 119 Cb 0.92 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1mux h GLU 119 CO -0.49 0.69 -0.51 0.93 -1.00 0.00 0.00 179.01 178.63 1mux h GLU 120 N 0.96 -0.78 -0.64 2.33 4.39 -1.22 -1.57 114.58 118.06 1mux h GLU 120 Ca 0.25 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.11 1mux h GLU 120 Cb -0.02 0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 1mux h GLU 120 CO -0.05 -0.52 0.23 0.28 -1.16 0.00 0.00 179.01 177.80 1mux h VAL 121 N -0.81 0.74 -0.94 3.13 2.07 -1.41 0.58 116.25 119.62 1mux h VAL 121 Ca -0.02 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.54 1mux h VAL 121 Cb 0.78 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 1mux h VAL 121 CO -0.22 0.07 0.60 0.44 0.02 0.00 0.00 177.57 178.48 1mux h ASP 122 N 0.41 0.62 0.22 0.57 3.32 -0.85 0.17 116.42 120.88 1mux h ASP 122 Ca 0.33 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.30 1mux h ASP 122 Cb 0.43 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1mux h ASP 122 CO -0.33 0.26 -0.51 -0.08 -1.72 0.00 0.00 179.24 176.86 1mux h GLU 123 N 0.63 0.34 0.49 3.56 4.81 0.05 -2.63 114.58 121.83 1mux h GLU 123 Ca 0.50 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1mux h GLU 123 Cb 0.93 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1mux h GLU 123 CO -0.25 0.77 -0.24 0.52 -0.73 0.00 0.00 179.01 179.08 1mux h MET 124 N 0.26 -0.64 -0.91 1.92 2.86 -0.08 0.44 114.93 118.78 1mux h MET 124 Ca 0.01 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1mux h MET 124 Cb 1.00 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1mux h MET 124 CO 0.09 -0.38 0.60 0.82 1.06 0.00 0.00 176.91 179.09 1mux h ILE 125 N -0.76 1.14 0.00 -1.22 1.08 -1.47 -0.32 117.51 115.96 1mux h ILE 125 Ca -0.07 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 1mux h ILE 125 Cb 0.55 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1mux h ILE 125 CO 0.11 0.20 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.55 1mux h ARG 126 N 1.12 0.00 0.02 2.37 2.43 -1.25 -2.41 114.38 116.66 1mux h ARG 126 Ca 0.37 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.32 1mux h ARG 126 Cb 0.05 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1mux h ARG 126 CO -0.12 0.14 -0.85 1.49 -1.51 0.00 0.00 179.97 179.12 1mux h GLU 127 N 0.00 0.55 -0.13 0.20 4.22 0.84 -3.26 114.58 117.00 1mux h GLU 127 Ca -0.00 -0.61 -0.13 0.00 0.08 0.00 0.00 59.36 58.69 1mux h GLU 127 Cb 0.67 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1mux h GLU 127 CO 0.02 1.23 -0.50 0.00 -2.18 0.00 0.00 179.01 177.58 1mux h ALA 128 N 0.34 0.91 -1.28 2.92 0.00 -1.32 -3.41 119.26 117.42 1mux h ALA 128 Ca -0.11 -0.48 -0.35 0.00 0.00 0.00 0.00 54.91 53.97 1mux h ALA 128 Cb 1.54 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.25 1mux h ALA 128 CO 0.17 0.66 1.26 -3.47 0.00 0.00 0.00 179.25 177.87 1mux n ASP 129 N -3.96 2.15 -0.03 0.00 2.03 -0.92 -4.77 116.55 111.05 1mux n ASP 129 Ca -0.02 -0.74 -0.16 0.00 0.52 0.00 0.00 54.79 54.40 1mux n ASP 129 Cb 0.55 -1.59 -0.08 0.00 -0.72 0.00 0.00 41.12 39.27 1mux n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1mux h ILE 130 N 7.71 1.38 0.02 5.18 2.04 -1.87 -3.33 117.51 128.64 1mux h ILE 130 Ca -0.18 -1.78 -0.27 0.00 1.00 0.00 0.00 64.86 63.64 1mux h ILE 130 Cb 1.21 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 1mux h ILE 130 CO 1.13 0.53 -1.44 -2.24 0.00 0.00 0.00 178.15 176.13 1mux h ASP 131 N 0.06 0.07 -0.24 1.72 3.04 -1.97 -3.49 116.42 115.62 1mux h ASP 131 Ca -0.03 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.65 1mux h ASP 131 Cb 1.08 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 1mux h ASP 131 CO 0.09 1.10 0.00 0.61 -2.04 0.00 0.00 179.24 179.00 1mux n GLY 132 N 1.51 0.66 1.30 7.15 0.00 -1.25 -5.00 105.19 109.57 1mux n GLY 132 Ca -0.11 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.64 1mux n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mux n ASP 133 N -0.12 3.82 -1.34 1.61 8.00 -1.26 -4.88 116.55 122.38 1mux n ASP 133 Ca 0.00 -2.35 -0.16 0.00 0.71 0.00 0.00 54.79 52.99 1mux n ASP 133 Cb 0.05 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 134 N 0.95 1.25 3.64 0.44 0.00 -1.26 -4.93 105.19 105.28 1mux n GLY 134 Ca 0.20 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.63 0.43 0.31 1.61 1.03 -1.26 -5.06 119.66 113.08 1mux s GLN 135 Ca 0.00 0.46 -0.15 0.00 0.04 0.00 0.00 55.36 55.71 1mux s GLN 135 Cb 0.00 0.21 -0.09 0.00 0.03 0.00 0.00 33.01 33.16 1mux s GLN 135 CO 0.00 -0.06 0.72 0.08 -2.54 0.00 0.00 175.29 173.49 1mux s VAL 136 N 0.08 4.68 0.34 3.63 1.01 -1.05 -4.81 120.40 124.28 1mux s VAL 136 Ca 0.04 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.02 1mux s VAL 136 Cb -0.05 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1mux s VAL 136 CO -0.07 -0.14 0.03 0.21 0.00 0.00 0.00 175.10 175.13 1mux s ASN 137 N -2.21 2.79 0.10 3.32 2.47 -1.26 -1.51 114.94 118.64 1mux s ASN 137 Ca 0.52 -1.35 -0.23 0.00 0.42 0.00 0.00 52.86 52.22 1mux s ASN 137 Cb -0.11 -0.17 -0.11 0.00 -1.45 0.00 0.00 41.25 39.41 1mux s ASN 137 CO 0.18 -0.54 1.71 0.22 -3.72 0.00 0.00 177.10 174.95 1mux h TYR 138 N 2.05 -0.18 0.11 0.43 5.03 -1.99 -0.39 116.97 122.04 1mux h TYR 138 Ca -0.41 0.01 0.02 0.00 2.58 0.00 0.00 58.73 60.92 1mux h TYR 138 Cb 1.24 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 39.56 1mux h TYR 138 CO 0.63 -0.11 -0.28 1.49 -1.32 0.00 0.00 178.16 178.57 1mux h GLU 139 N -0.13 -0.47 0.00 1.82 4.81 -1.97 0.58 114.58 119.22 1mux h GLU 139 Ca 0.03 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1mux h GLU 139 Cb 0.16 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1mux h GLU 139 CO -0.07 -0.31 -0.00 0.93 -0.73 0.00 0.00 179.01 178.83 1mux h GLU 140 N -0.49 0.00 0.00 1.92 5.08 -1.86 -1.11 114.58 118.12 1mux h GLU 140 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1mux h GLU 140 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1mux h GLU 140 CO -0.17 0.00 -0.69 0.35 -1.00 0.00 0.00 179.01 177.51 1mux h PHE 141 N 0.00 0.00 0.00 4.33 3.57 0.87 -1.29 116.94 124.43 1mux h PHE 141 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1mux h PHE 141 Cb 0.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1mux h PHE 141 CO 0.00 0.69 -1.01 0.28 -2.23 0.00 0.00 178.31 176.03 1mux h VAL 142 N 0.00 0.37 -0.00 1.41 2.07 -0.52 -3.31 116.25 116.27 1mux h VAL 142 Ca -0.01 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1mux h VAL 142 Cb 1.31 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1mux h VAL 142 CO 0.09 0.21 -0.88 0.00 0.02 0.00 0.00 177.57 177.01 1mux n GLN 143 N -2.90 0.68 0.01 1.57 6.02 -1.03 -3.72 117.38 118.00 1mux n GLN 143 Ca -0.04 -0.07 -0.05 0.00 -0.01 0.00 0.00 57.00 56.83 1mux n GLN 143 Cb 0.71 -1.41 -0.11 0.00 1.02 0.00 0.00 30.24 30.45 1mux n GLN 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mux h MET 144 N 0.17 0.00 0.09 -1.09 -0.00 -1.36 -3.35 114.93 109.39 1mux h MET 144 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.38 1mux h MET 144 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.05 1mux h MET 144 CO 0.00 0.45 -1.75 1.98 -0.00 0.00 0.00 176.91 177.60 1mux h MET 145 N 0.00 0.19 -0.09 -0.10 1.85 -1.76 -3.33 114.93 111.70 1mux h MET 145 Ca -0.21 -0.33 0.03 0.00 -0.61 0.00 0.00 59.70 58.57 1mux h MET 145 Cb 1.82 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 33.97 1mux h MET 145 CO 0.07 1.16 0.29 0.00 -0.40 0.00 0.00 176.91 178.03 1mux h THR 146 N -0.26 0.13 -1.69 -0.77 1.03 -1.75 -3.42 112.91 106.19 1mux h THR 146 Ca -0.39 0.00 -0.70 0.00 -0.01 0.00 0.00 66.41 65.31 1mux h THR 146 Cb 1.81 0.73 0.03 0.00 -1.07 0.00 0.00 68.15 69.65 1mux h THR 146 CO 0.00 0.00 0.80 0.00 -0.01 0.00 0.00 175.52 176.31 1mux n ALA 147 N -2.05 -0.19 1.10 0.00 0.00 -1.25 -5.11 120.51 113.01 1mux n ALA 147 Ca -0.00 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.98 1mux n ALA 147 Cb 0.37 -2.22 0.19 0.00 0.00 0.00 0.00 19.45 17.78 1mux n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86