#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 1.52 -0.88 0.00 5.75 -1.26 -5.17 116.55 116.51 1mux n ASP 2 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1mux n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1mux n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mux n GLN 3 N -0.04 0.20 0.00 0.11 10.64 -1.26 -5.17 117.38 121.85 1mux n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1mux n GLN 3 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1mux n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1mux n LEU 4 N 0.00 0.00 0.14 2.61 4.77 -1.26 -5.08 117.00 118.18 1mux n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1mux n LEU 4 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1mux n LEU 4 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1mux n THR 5 N 0.00 0.00 -0.13 -5.08 -1.04 -1.26 -4.94 114.28 101.83 1mux n THR 5 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1mux n THR 5 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 1mux n THR 5 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1mux h GLU 6 N 0.00 0.88 -0.63 -2.82 5.08 -2.00 -3.06 114.58 112.03 1mux h GLU 6 Ca 0.00 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1mux h GLU 6 Cb 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1mux h GLU 6 CO 0.00 0.96 0.39 0.93 -1.00 0.00 0.00 179.01 180.29 1mux h GLU 7 N 0.79 0.75 -0.22 2.33 4.39 -1.99 -1.70 114.58 118.92 1mux h GLU 7 Ca 0.12 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1mux h GLU 7 Cb 0.65 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1mux h GLU 7 CO 0.05 0.49 0.13 1.96 -1.16 0.00 0.00 179.01 180.48 1mux h GLN 8 N 0.77 0.26 -0.02 2.33 4.20 -1.90 -1.27 115.11 119.48 1mux h GLN 8 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1mux h GLN 8 Cb 0.01 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1mux h GLN 8 CO -0.10 0.17 0.01 0.82 -0.67 0.00 0.00 178.83 179.07 1mux h ILE 9 N 0.27 1.00 -0.00 2.54 2.04 -1.40 -0.28 117.51 121.68 1mux h ILE 9 Ca 0.08 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 1mux h ILE 9 Cb -0.01 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1mux h ILE 9 CO -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.62 1mux h ALA 10 N 1.99 1.18 0.42 1.87 0.00 -0.33 -1.46 119.26 122.94 1mux h ALA 10 Ca 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1mux h ALA 10 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mux h ALA 10 CO -0.00 0.62 -0.20 1.49 0.00 0.00 0.00 179.25 181.16 1mux h GLU 11 N 0.00 -0.55 -0.67 0.00 4.81 -0.41 -0.93 114.58 116.83 1mux h GLU 11 Ca -0.00 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1mux h GLU 11 Cb 0.88 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1mux h GLU 11 CO 0.06 -0.28 0.44 0.74 -0.73 0.00 0.00 179.01 179.25 1mux h PHE 12 N -1.06 0.78 -0.26 0.92 0.04 -1.54 -0.53 116.94 115.30 1mux h PHE 12 Ca -0.06 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 1mux h PHE 12 Cb 0.53 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1mux h PHE 12 CO 0.02 0.46 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.84 1mux h LYS 13 N 0.82 0.43 -0.57 1.51 3.11 -1.25 -2.61 116.57 118.00 1mux h LYS 13 Ca 0.26 -0.12 -0.04 0.00 -2.81 0.00 0.00 60.65 57.95 1mux h LYS 13 Cb 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1mux h LYS 13 CO -0.07 0.56 0.21 0.93 -2.81 0.00 0.00 179.45 178.27 1mux h GLU 14 N 0.40 0.87 -0.19 1.90 4.39 0.36 -2.39 114.58 119.92 1mux h GLU 14 Ca 0.08 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1mux h GLU 14 Cb 0.47 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1mux h GLU 14 CO 0.03 0.77 0.12 0.00 -1.16 0.00 0.00 179.01 178.76 1mux h ALA 15 N 1.06 0.23 0.11 3.43 0.00 -1.17 -0.96 119.26 121.96 1mux h ALA 15 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1mux h ALA 15 Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1mux h ALA 15 CO -0.01 -0.29 -0.25 0.35 0.00 0.00 0.00 179.25 179.04 1mux h PHE 16 N 0.24 -0.68 -0.10 0.00 3.57 -1.31 -0.17 116.94 118.49 1mux h PHE 16 Ca 0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1mux h PHE 16 Cb -0.02 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1mux h PHE 16 CO -0.07 -0.35 0.09 0.77 -2.23 0.00 0.00 178.31 176.51 1mux h SER 17 N -0.45 0.00 0.36 0.41 0.02 -1.28 -0.33 113.55 112.28 1mux h SER 17 Ca 0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 1mux h SER 17 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1mux h SER 17 CO -0.15 0.00 -0.55 0.25 -1.14 0.00 0.00 176.83 175.24 1mux h LEU 18 N 0.00 0.22 0.00 5.07 6.46 0.35 -3.36 115.31 124.05 1mux h LEU 18 Ca 0.05 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1mux h LEU 18 Cb 0.22 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1mux h LEU 18 CO -0.00 0.73 -0.15 -0.26 -0.62 0.00 0.00 178.44 178.13 1mux h PHE 19 N 0.15 0.00 -1.28 1.25 0.04 -0.01 -3.41 116.94 113.69 1mux h PHE 19 Ca 0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 1mux h PHE 19 Cb 1.01 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.05 1mux h PHE 19 CO 0.02 0.00 1.68 0.34 -0.60 0.00 0.00 178.31 179.75 1mux s ASP 20 N -4.95 6.71 -0.76 2.17 2.15 -0.69 -4.80 116.67 116.49 1mux s ASP 20 Ca -0.04 -2.07 0.00 0.00 0.43 0.00 0.00 52.55 50.87 1mux s ASP 20 Cb 0.01 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 40.45 1mux s ASP 20 CO 0.07 -1.25 1.68 2.29 -0.17 0.00 0.00 175.17 177.79 1mux n LYS 21 N 8.08 3.46 0.00 4.34 0.00 -1.26 -4.50 118.16 128.28 1mux n LYS 21 Ca 0.39 -4.09 0.00 0.00 -0.00 0.00 0.00 58.31 54.61 1mux n LYS 21 Cb 0.48 -2.30 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 1mux n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1mux n ASP 22 N -0.41 0.65 0.00 -5.58 5.68 -1.26 -5.06 116.55 110.57 1mux n ASP 22 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1mux n ASP 22 Cb 0.35 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1mux n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 23 N 1.37 1.02 0.10 6.12 0.00 -1.26 -5.04 105.19 107.49 1mux n GLY 23 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1mux n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mux n ASP 24 N 0.00 0.93 0.00 1.61 2.03 -1.26 -4.99 116.55 114.86 1mux n ASP 24 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1mux n ASP 24 Cb 0.00 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mux n GLY 25 N 2.00 2.24 3.10 0.27 0.00 -1.26 -5.01 105.19 106.54 1mux n GLY 25 Ca -0.34 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.31 0.21 -0.36 2.61 -4.23 -1.26 -3.92 115.64 106.37 1mux s THR 26 Ca 0.00 -1.82 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1mux s THR 26 Cb 0.00 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.27 1mux s THR 26 CO 0.00 -0.93 0.21 -0.63 -0.54 0.00 0.00 174.62 172.73 1mux s ILE 27 N -3.93 4.77 0.00 2.99 1.01 -0.84 -4.91 121.20 120.30 1mux s ILE 27 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1mux s ILE 27 Cb 0.08 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1mux s ILE 27 CO -0.09 -0.15 0.00 0.35 0.00 0.00 0.00 174.94 175.05 1mux n THR 28 N 5.03 0.00 0.09 2.92 -2.24 -1.26 -2.36 114.28 116.46 1mux n THR 28 Ca -0.12 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1mux n THR 28 Cb 0.47 -0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 67.69 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1mux h THR 29 N 0.05 1.41 0.39 4.28 1.35 -1.97 -2.09 112.91 116.31 1mux h THR 29 Ca 0.00 -2.70 -0.02 0.00 -0.55 0.00 0.00 66.41 63.14 1mux h THR 29 Cb 0.00 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1mux h THR 29 CO 0.00 0.80 -0.19 0.11 -0.25 0.00 0.00 175.52 176.00 1mux h LYS 30 N 0.17 -0.50 -0.93 4.72 1.57 -1.99 0.26 116.57 119.88 1mux h LYS 30 Ca -0.13 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1mux h LYS 30 Cb 1.84 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 34.20 1mux h LYS 30 CO 0.20 -0.19 0.60 0.93 -0.57 0.00 0.00 179.45 180.42 1mux h GLU 31 N -0.95 1.10 0.00 3.15 5.08 -1.96 0.64 114.58 121.63 1mux h GLU 31 Ca -0.05 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1mux h GLU 31 Cb 0.54 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1mux h GLU 31 CO 0.09 0.72 -0.23 1.25 -1.00 0.00 0.00 179.01 179.84 1mux h LEU 32 N 1.13 0.00 -0.42 1.33 5.85 -1.36 -2.09 115.31 119.76 1mux h LEU 32 Ca 0.38 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 1mux h LEU 32 Cb 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1mux h LEU 32 CO -0.14 0.23 0.08 1.23 -0.34 0.00 0.00 178.44 179.50 1mux h GLY 33 N 1.13 0.73 2.00 3.75 0.00 0.13 -1.31 103.07 109.51 1mux h GLY 33 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1mux h GLY 33 CO 0.03 0.45 -0.12 0.00 0.00 0.00 0.00 176.54 176.89 1mux h THR 34 N 0.54 0.25 0.00 4.70 1.03 -1.11 -1.79 112.91 116.53 1mux h THR 34 Ca 0.13 -1.07 -0.19 0.00 -0.01 0.00 0.00 66.41 65.27 1mux h THR 34 Cb 0.36 1.88 -0.03 0.00 -1.07 0.00 0.00 68.15 69.28 1mux h THR 34 CO 0.01 0.12 -0.89 0.58 -0.01 0.00 0.00 175.52 175.32 1mux h VAL 35 N 0.00 1.62 0.00 0.00 2.07 -0.95 -1.40 116.25 117.59 1mux h VAL 35 Ca -0.00 -3.08 -0.23 0.00 0.82 0.00 0.00 66.70 64.21 1mux h VAL 35 Cb 0.87 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1mux h VAL 35 CO 0.02 0.88 -1.57 0.23 0.02 0.00 0.00 177.57 177.14 1mux n MET 36 N -3.45 0.63 0.08 1.57 2.81 -0.53 -4.03 117.12 114.19 1mux n MET 36 Ca -0.00 0.26 0.12 0.00 -1.81 0.00 0.00 57.70 56.27 1mux n MET 36 Cb 0.86 -1.80 0.07 0.00 -0.71 0.00 0.00 33.22 31.64 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 -0.38 0.03 3.08 -1.39 -2.48 114.38 113.24 1mux h ARG 37 Ca -0.23 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.90 1mux h ARG 37 Cb 1.81 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.77 1mux h ARG 37 CO 0.06 0.00 -0.25 1.03 -1.07 0.00 0.00 179.97 179.75 1mux h SER 38 N 0.00 -0.83 -1.97 7.04 0.87 -1.39 -3.32 113.55 113.95 1mux h SER 38 Ca 0.00 0.17 -0.49 0.00 -1.23 0.00 0.00 61.79 60.24 1mux h SER 38 Cb 0.88 0.41 -0.40 0.00 -0.44 0.00 0.00 62.40 62.85 1mux h SER 38 CO 0.00 -0.27 -1.18 0.00 -0.53 0.00 0.00 176.83 174.85 1mux n LEU 39 N -5.40 0.70 0.08 2.23 -0.00 -1.26 -4.93 117.00 108.42 1mux n LEU 39 Ca 0.01 -4.95 0.00 0.00 -0.00 0.00 0.00 56.01 51.07 1mux n LEU 39 Cb 0.31 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.44 1mux n LEU 39 CO 0.10 2.26 0.00 0.61 -0.00 0.00 0.00 177.39 180.36 1mux n GLY 40 N 0.43 -1.71 2.63 1.47 0.00 -1.23 -5.09 105.19 101.69 1mux n GLY 40 Ca 0.24 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.76 1mux n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mux n GLN 41 N -2.88 -3.83 0.13 1.61 6.02 -0.94 -4.99 117.38 112.50 1mux n GLN 41 Ca 0.00 2.91 0.00 0.00 -0.01 0.00 0.00 57.00 59.90 1mux n GLN 41 Cb 0.00 -3.94 0.00 0.00 1.02 0.00 0.00 30.24 27.32 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1mux n ASN 42 N 1.93 -2.37 -4.54 1.08 5.15 -1.26 -5.06 115.26 110.18 1mux n ASN 42 Ca -0.25 0.59 -0.29 0.00 -0.60 0.00 0.00 54.58 54.03 1mux n ASN 42 Cb 0.39 2.39 0.18 0.00 -0.53 0.00 0.00 39.78 42.21 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mux s PRO 43 N -1.70 0.23 0.04 1.20 0.04 -1.26 -5.08 135.00 128.47 1mux s PRO 43 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1mux s PRO 43 Cb 0.00 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 1mux s PRO 43 CO 0.00 -2.82 0.00 0.25 0.04 0.00 0.00 177.00 174.47 1mux n THR 44 N -4.21 0.00 0.13 1.26 -2.24 -1.26 -4.97 114.28 102.99 1mux n THR 44 Ca 0.07 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1mux n THR 44 Cb 0.58 0.04 0.12 0.00 -2.10 0.00 0.00 70.33 68.97 1mux n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1mux h GLU 45 N 0.00 0.00 0.18 -0.78 5.08 -1.98 -1.81 114.58 115.28 1mux h GLU 45 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 45 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1mux h GLU 45 CO 0.05 0.66 -0.09 0.00 -1.00 0.00 0.00 179.01 178.63 1mux h ALA 46 N 1.34 -0.24 0.00 3.43 0.00 -2.00 -2.55 119.26 119.24 1mux h ALA 46 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mux h ALA 46 Cb 1.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1mux h ALA 46 CO 0.09 -0.26 -0.05 0.93 0.00 0.00 0.00 179.25 179.96 1mux h GLU 47 N -1.00 0.00 0.15 0.00 4.39 -1.97 -2.62 114.58 113.53 1mux h GLU 47 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1mux h GLU 47 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1mux h GLU 47 CO 0.04 0.05 -0.07 1.25 -1.16 0.00 0.00 179.01 179.12 1mux h LEU 48 N 0.00 -0.17 -1.24 1.33 6.46 -1.35 -1.32 115.31 119.02 1mux h LEU 48 Ca -0.00 -0.35 0.14 0.00 -0.12 0.00 0.00 57.88 57.54 1mux h LEU 48 Cb 0.14 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.04 1mux h LEU 48 CO 0.01 0.31 0.58 -0.61 -0.62 0.00 0.00 178.44 178.11 1mux h GLN 49 N -0.71 0.73 -0.25 1.25 4.15 -1.14 0.16 115.11 119.30 1mux h GLN 49 Ca -0.02 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1mux h GLN 49 Cb 0.51 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1mux h GLN 49 CO 0.03 0.48 -0.35 0.22 -1.93 0.00 0.00 178.83 177.28 1mux h ASP 50 N 0.75 0.57 0.74 -0.69 3.58 -1.40 -2.04 116.42 117.93 1mux h ASP 50 Ca 0.45 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1mux h ASP 50 Cb 0.66 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1mux h ASP 50 CO -0.21 0.88 0.00 -0.03 -2.88 0.00 0.00 179.24 177.00 1mux h MET 51 N 0.46 0.00 0.12 0.28 4.05 0.49 -2.85 114.93 117.49 1mux h MET 51 Ca 0.05 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.13 1mux h MET 51 Cb 0.83 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 1mux h MET 51 CO 0.07 0.00 -1.83 0.82 0.23 0.00 0.00 176.91 176.20 1mux h ILE 52 N 0.00 0.81 -0.85 1.77 2.04 -0.64 -3.32 117.51 117.31 1mux h ILE 52 Ca 0.00 -2.50 0.16 0.00 1.00 0.00 0.00 64.86 63.52 1mux h ILE 52 Cb 0.37 2.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 1mux h ILE 52 CO 0.00 0.82 0.56 0.78 0.00 0.00 0.00 178.15 180.31 1mux h ASN 53 N 0.07 0.50 0.34 1.72 2.35 -1.18 0.11 115.58 119.49 1mux h ASN 53 Ca -0.36 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.29 1mux h ASN 53 Cb 2.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 40.34 1mux h ASN 53 CO 0.12 0.24 -0.56 1.05 -1.65 0.00 0.00 177.43 176.63 1mux h GLU 54 N 0.52 0.23 0.04 0.81 4.11 -1.68 -3.35 114.58 115.26 1mux h GLU 54 Ca 0.43 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.72 1mux h GLU 54 Cb 0.90 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1mux h GLU 54 CO -0.17 0.72 -0.02 0.28 0.07 0.00 0.00 179.01 179.89 1mux h VAL 55 N 0.18 0.00 -1.46 -1.06 2.07 -0.94 -3.44 116.25 111.59 1mux h VAL 55 Ca 0.00 -0.17 -0.74 0.00 0.82 0.00 0.00 66.70 66.61 1mux h VAL 55 Cb 1.03 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1mux h VAL 55 CO 0.09 0.00 0.57 -0.67 0.02 0.00 0.00 177.57 177.58 1mux n ASP 56 N -2.61 1.61 -0.04 0.57 2.03 -0.42 -4.85 116.55 112.84 1mux n ASP 56 Ca -0.01 1.12 -0.01 0.00 0.52 0.00 0.00 54.79 56.41 1mux n ASP 56 Cb 0.02 -1.10 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 1mux n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mux n ALA 57 N 3.50 2.01 0.03 -1.67 0.00 -1.26 -4.52 120.51 118.60 1mux n ALA 57 Ca 0.23 -0.62 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 1mux n ALA 57 Cb 0.13 -0.19 0.12 0.00 0.00 0.00 0.00 19.45 19.51 1mux n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1mux h ASP 58 N 0.00 0.48 -1.13 0.00 3.04 -1.95 -3.48 116.42 113.38 1mux h ASP 58 Ca -0.20 -0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1mux h ASP 58 Cb 1.31 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1mux h ASP 58 CO 0.01 0.87 0.00 0.61 -2.04 0.00 0.00 179.24 178.69 1mux n GLY 59 N 0.04 0.26 0.71 7.15 0.00 -1.26 -5.07 105.19 107.02 1mux n GLY 59 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.26 0.00 0.00 1.61 6.94 -1.26 -5.06 115.26 117.24 1mux n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1mux n ASN 60 Cb 0.07 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 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 1.06 -0.21 3.57 4.83 0.00 -1.26 -5.14 105.19 108.05 1mux n GLY 61 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.74 0.02 0.01 2.61 -4.23 -1.26 -4.67 115.64 107.38 1mux s THR 62 Ca 0.00 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1mux s THR 62 Cb 0.00 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1mux s THR 62 CO 0.00 -0.08 0.07 -0.63 -0.54 0.00 0.00 174.62 173.44 1mux s ILE 63 N -3.94 4.63 0.43 2.99 1.01 -1.00 -4.83 121.20 120.49 1mux s ILE 63 Ca 0.14 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1mux s ILE 63 Cb -0.01 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1mux s ILE 63 CO 0.03 0.31 0.43 -1.81 0.00 0.00 0.00 174.94 173.89 1mux s ASP 64 N -1.85 5.15 0.13 3.58 1.01 -1.26 -1.98 116.67 121.46 1mux s ASP 64 Ca 0.24 -0.70 -0.13 0.00 0.71 0.00 0.00 52.55 52.66 1mux s ASP 64 Cb -0.12 -0.53 -0.01 0.00 1.01 0.00 0.00 42.92 43.27 1mux s ASP 64 CO 0.15 -0.71 1.55 0.15 0.21 0.00 0.00 175.17 176.53 1mux h PHE 65 N 0.92 0.90 0.00 4.23 3.57 -2.00 -1.09 116.94 123.48 1mux h PHE 65 Ca -0.41 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 60.81 1mux h PHE 65 Cb 1.27 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1mux h PHE 65 CO 0.50 0.91 -0.46 -1.00 -2.23 0.00 0.00 178.31 176.03 1mux h PRO 66 N 0.64 0.00 0.00 6.41 0.13 -1.96 -2.63 132.00 134.59 1mux h PRO 66 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 1mux h PRO 66 Cb 0.60 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1mux h PRO 66 CO 0.04 0.46 -0.76 1.49 -0.23 0.00 0.00 178.00 179.01 1mux h GLU 67 N 0.00 0.00 0.25 0.86 4.81 -1.92 -2.31 114.58 116.27 1mux h GLU 67 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1mux h GLU 67 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1mux h GLU 67 CO 0.06 0.76 -0.12 0.35 -0.73 0.00 0.00 179.01 179.33 1mux h PHE 68 N 0.00 -0.31 -0.87 0.92 3.04 -1.06 -0.31 116.94 118.34 1mux h PHE 68 Ca -0.01 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.01 1mux h PHE 68 Cb 1.53 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 40.08 1mux h PHE 68 CO 0.00 -0.19 0.57 1.25 -2.02 0.00 0.00 178.31 177.92 1mux h LEU 69 N -0.98 0.83 -0.73 0.59 6.46 -1.61 -0.28 115.31 119.59 1mux h LEU 69 Ca -0.03 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1mux h LEU 69 Cb 0.25 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1mux h LEU 69 CO 0.06 0.52 -0.44 0.74 -0.62 0.00 0.00 178.44 178.69 1mux h THR 70 N 0.94 0.96 0.02 1.05 2.02 -1.49 -0.06 112.91 116.34 1mux h THR 70 Ca 0.39 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 1mux h THR 70 Cb 0.28 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1mux h THR 70 CO -0.15 0.43 -0.01 -0.03 0.37 0.00 0.00 175.52 176.13 1mux h MET 71 N 0.00 -0.02 0.00 6.66 1.85 0.79 -1.43 114.93 122.78 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 1.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.06 1mux h MET 71 CO 0.06 0.15 -0.80 -1.33 -0.40 0.00 0.00 176.91 174.59 1mux n MET 72 N -5.02 0.32 0.00 0.39 2.81 -1.09 -3.95 117.12 110.58 1mux n MET 72 Ca -0.08 0.06 0.12 0.00 -1.81 0.00 0.00 57.70 55.99 1mux n MET 72 Cb 0.11 -1.66 0.21 0.00 -0.71 0.00 0.00 33.22 31.17 1mux n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux n ALA 73 N -1.86 3.67 0.18 3.04 0.00 -0.04 -4.13 120.51 121.38 1mux n ALA 73 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 1mux n ALA 73 Cb 0.45 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.92 1mux n ALA 73 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1mux n ARG 74 N -1.44 1.78 -3.06 0.00 -4.01 -0.54 -4.86 116.66 104.54 1mux n ARG 74 Ca 0.06 -1.17 -0.41 0.00 -1.04 0.00 0.00 57.85 55.28 1mux n ARG 74 Cb 0.34 -1.55 -0.06 0.00 -3.04 0.00 0.00 32.46 28.14 1mux n ARG 74 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1mux s LYS 75 N -1.39 3.86 0.25 2.89 1.02 -1.26 -5.02 119.74 120.10 1mux s LYS 75 Ca 0.22 0.33 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 1mux s LYS 75 Cb 0.18 -3.75 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1mux s LYS 75 CO 0.05 -0.66 0.57 0.00 -0.92 0.00 0.00 175.35 174.39 1mux s MET 76 N 2.76 1.62 0.00 1.68 0.23 -1.26 -5.06 119.30 119.27 1mux s MET 76 Ca 0.27 -1.12 0.00 0.00 -1.03 0.00 0.00 55.69 53.81 1mux s MET 76 Cb -0.14 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1mux s MET 76 CO 0.13 -0.70 0.83 1.17 -2.03 0.00 0.00 175.02 174.42 1mux n LYS 77 N -0.41 1.73 0.00 3.16 4.81 -1.26 -5.10 118.16 121.09 1mux n LYS 77 Ca -0.03 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.24 1mux n LYS 77 Cb 0.61 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.67 1mux n LYS 77 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1mux n ASP 78 N -0.34 0.00 -4.37 3.14 5.68 -1.26 -4.75 116.55 114.66 1mux n ASP 78 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.06 1mux n ASP 78 Cb 0.18 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.05 1mux n ASP 78 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1mux s THR 79 N 0.00 2.00 -0.04 2.12 -1.32 -1.26 -5.14 115.64 112.00 1mux s THR 79 Ca 0.00 -2.01 0.06 0.00 -1.21 0.00 0.00 61.69 58.53 1mux s THR 79 Cb 0.00 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1mux s THR 79 CO 0.00 -0.29 -0.23 -0.62 -2.21 0.00 0.00 174.62 171.27 1mux s ASP 80 N -2.79 3.30 0.00 8.08 2.15 -1.26 -5.03 116.67 121.12 1mux s ASP 80 Ca 0.19 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1mux s ASP 80 Cb -0.06 -0.64 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 1mux s ASP 80 CO 0.08 0.30 0.00 -1.20 -0.17 0.00 0.00 175.17 174.18 1mux n SER 81 N 2.60 0.00 -3.65 -0.34 7.64 -1.26 -5.08 113.62 113.53 1mux n SER 81 Ca -0.17 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.42 1mux n SER 81 Cb 0.52 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 1mux n SER 81 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1mux s GLU 82 N 0.00 0.64 -0.43 1.43 2.56 -1.26 -5.01 118.70 116.62 1mux s GLU 82 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 54.97 53.89 1mux s GLU 82 Cb 0.00 -1.74 0.23 0.00 2.00 0.00 0.00 34.13 34.61 1mux s GLU 82 CO 0.00 -1.05 0.96 -0.85 -0.56 0.00 0.00 175.26 173.77 1mux n GLU 83 N 4.68 0.41 0.04 4.30 0.28 -1.26 -5.04 120.64 124.05 1mux n GLU 83 Ca 0.00 -1.38 -0.02 0.00 -0.16 0.00 0.00 57.16 55.60 1mux n GLU 83 Cb 0.40 -0.83 -0.01 0.00 1.43 0.00 0.00 31.44 32.43 1mux n GLU 83 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1mux h GLU 84 N 4.17 -0.12 -0.56 3.44 4.81 -1.99 -1.72 114.58 122.61 1mux h GLU 84 Ca -0.07 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1mux h GLU 84 Cb 1.12 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 1mux h GLU 84 CO 0.02 -0.08 0.16 0.82 -0.73 0.00 0.00 179.01 179.21 1mux h ILE 85 N -0.25 0.73 -0.82 2.32 2.04 -2.01 0.08 117.51 119.60 1mux h ILE 85 Ca -0.01 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.83 1mux h ILE 85 Cb 0.09 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 1mux h ILE 85 CO 0.02 0.06 0.47 -0.09 0.00 0.00 0.00 178.15 178.61 1mux h ARG 86 N 0.32 0.78 -0.49 2.37 2.43 -1.97 -1.38 114.38 116.44 1mux h ARG 86 Ca 0.29 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.51 1mux h ARG 86 Cb 0.37 -0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.65 1mux h ARG 86 CO -0.33 0.52 -0.16 1.49 -1.51 0.00 0.00 179.97 179.98 1mux h GLU 87 N 0.81 -0.04 -0.71 0.20 4.22 -0.01 0.19 114.58 119.24 1mux h GLU 87 Ca 0.39 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.95 1mux h GLU 87 Cb 0.33 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.51 1mux h GLU 87 CO -0.23 -0.03 0.28 0.00 -2.18 0.00 0.00 179.01 176.85 1mux h ALA 88 N 1.39 0.97 -0.99 2.92 0.00 -1.00 0.12 119.26 122.66 1mux h ALA 88 Ca 0.23 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.37 1mux h ALA 88 Cb 0.40 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1mux h ALA 88 CO -0.53 -0.18 0.62 0.35 0.00 0.00 0.00 179.25 179.52 1mux h PHE 89 N 0.45 1.10 0.09 0.00 3.57 -0.37 -0.28 116.94 121.49 1mux h PHE 89 Ca 0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1mux h PHE 89 Cb 0.52 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1mux h PHE 89 CO -0.16 0.41 -0.08 -0.09 -2.23 0.00 0.00 178.31 176.16 1mux h ARG 90 N 0.93 -0.17 0.00 1.11 2.43 -0.11 0.84 114.38 119.41 1mux h ARG 90 Ca 0.50 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1mux h ARG 90 Cb 0.57 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1mux h ARG 90 CO -0.27 -0.11 0.00 -0.39 -1.51 0.00 0.00 179.97 177.68 1mux h VAL 91 N -0.18 0.00 -0.29 0.20 -1.51 -1.11 -2.09 116.25 111.27 1mux h VAL 91 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1mux h VAL 91 Cb 0.17 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1mux h VAL 91 CO -0.02 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.81 1mux n PHE 92 N -2.85 0.36 -3.06 5.19 3.72 -0.19 -4.65 117.46 115.99 1mux n PHE 92 Ca 0.00 -0.22 -0.19 0.00 -0.05 0.00 0.00 57.45 56.99 1mux n PHE 92 Cb 0.24 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.21 -0.80 -3.32 4.37 2.03 0.28 -4.57 116.55 115.75 1mux n ASP 93 Ca 0.16 -2.87 -0.36 0.00 0.52 0.00 0.00 54.79 52.23 1mux n ASP 93 Cb 0.53 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 1.51 4.49 0.00 -0.67 5.02 -1.23 -4.56 118.16 122.72 1mux n LYS 94 Ca 0.17 -4.66 0.00 0.00 -2.02 0.00 0.00 58.31 51.81 1mux n LYS 94 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 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 -0.17 0.34 0.00 4.39 5.68 -1.26 -5.06 116.55 120.47 1mux n ASP 95 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 1mux n ASP 95 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 1.67 0.25 0.00 6.12 0.00 -1.26 -5.07 105.19 106.90 1mux n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mux n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mux n ASN 97 N 0.00 0.00 -2.35 1.61 0.23 -1.26 -5.10 115.26 108.39 1mux n ASN 97 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 1mux n ASN 97 Cb 0.00 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.75 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mux n GLY 98 N 2.10 0.33 2.94 4.83 0.00 -1.26 -5.09 105.19 109.04 1mux n GLY 98 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1mux n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mux s TYR 99 N 0.08 1.06 -0.22 1.61 2.02 -1.26 -4.25 117.35 116.39 1mux s TYR 99 Ca 0.07 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 1mux s TYR 99 Cb 0.21 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.87 1mux s TYR 99 CO -0.06 -0.25 0.34 0.42 -1.57 0.00 0.00 175.55 174.43 1mux s ILE 100 N 0.94 5.23 0.23 2.71 1.01 -1.04 -4.87 121.20 125.41 1mux s ILE 100 Ca -0.10 0.56 0.09 0.00 0.00 0.00 0.00 60.65 61.20 1mux s ILE 100 Cb -0.15 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1mux s ILE 100 CO 0.01 0.26 -0.04 -0.55 0.00 0.00 0.00 174.94 174.61 1mux s SER 101 N 1.14 4.43 0.58 3.58 0.15 -1.26 -2.53 113.70 119.79 1mux s SER 101 Ca 0.16 -0.61 0.29 0.00 0.70 0.00 0.00 55.95 56.48 1mux s SER 101 Cb -0.15 -0.80 1.47 0.00 -1.71 0.00 0.00 66.02 64.83 1mux s SER 101 CO 0.07 0.05 1.90 0.00 1.20 0.00 0.00 173.24 176.46 1mux h ALA 102 N 2.33 2.27 0.49 5.45 0.00 -1.92 -1.98 119.26 125.91 1mux h ALA 102 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1mux h ALA 102 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1mux h ALA 102 CO 0.58 -0.76 -0.23 0.00 0.00 0.00 0.00 179.25 178.84 1mux h ALA 103 N 1.48 -0.66 -0.98 0.00 0.00 -1.98 -2.75 119.26 114.37 1mux h ALA 103 Ca 0.24 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1mux h ALA 103 Cb 1.24 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 1mux h ALA 103 CO -0.00 -0.63 0.61 0.93 0.00 0.00 0.00 179.25 180.17 1mux h GLU 104 N -1.14 0.71 -0.14 0.00 5.08 -1.73 -1.21 114.58 116.14 1mux h GLU 104 Ca -0.07 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1mux h GLU 104 Cb 0.54 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1mux h GLU 104 CO 0.11 0.47 0.06 1.25 -1.00 0.00 0.00 179.01 179.90 1mux h LEU 105 N 0.73 0.08 -2.01 1.33 6.46 -1.42 -1.25 115.31 119.24 1mux h LEU 105 Ca 0.54 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.30 1mux h LEU 105 Cb 0.89 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1mux h LEU 105 CO -0.32 0.07 -0.05 0.08 -0.62 0.00 0.00 178.44 177.60 1mux h ARG 106 N 0.13 0.00 -0.11 1.25 -0.00 -0.94 -2.26 114.38 112.46 1mux h ARG 106 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.87 1mux h ARG 106 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.99 1mux h ARG 106 CO -0.05 0.05 -0.64 1.25 -0.00 0.00 0.00 179.97 180.58 1mux h HIS 107 N 0.00 0.51 0.15 4.08 2.76 -0.49 -1.85 115.15 120.31 1mux h HIS 107 Ca -0.00 -0.20 -0.25 0.00 -2.20 0.00 0.00 60.37 57.71 1mux h HIS 107 Cb 0.33 -0.09 0.03 0.00 1.55 0.00 0.00 27.41 29.23 1mux h HIS 107 CO 0.00 0.92 -1.08 0.28 -1.30 0.00 0.00 177.93 176.75 1mux h VAL 108 N 0.29 1.38 0.48 5.26 2.07 -0.94 -3.16 116.25 121.63 1mux h VAL 108 Ca -0.01 -2.50 -0.02 0.00 0.82 0.00 0.00 66.70 64.99 1mux h VAL 108 Cb 1.18 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1mux h VAL 108 CO 0.11 0.74 -0.23 0.24 0.02 0.00 0.00 177.57 178.44 1mux h MET 109 N -0.03 -0.62 -0.70 1.57 2.86 -1.50 -2.46 114.93 114.05 1mux h MET 109 Ca -0.18 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.65 1mux h MET 109 Cb 1.81 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 33.49 1mux h MET 109 CO 0.20 -0.31 -0.09 1.79 1.06 0.00 0.00 176.91 179.56 1mux h THR 110 N -0.97 0.34 0.51 2.22 1.35 -1.49 -0.87 112.91 114.00 1mux h THR 110 Ca -0.07 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1mux h THR 110 Cb 0.59 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1mux h THR 110 CO 0.11 0.01 -0.28 0.78 -0.25 0.00 0.00 175.52 175.88 1mux h ASN 111 N 0.05 -0.70 0.00 5.36 4.21 -1.55 -3.28 115.58 119.67 1mux h ASN 111 Ca 0.36 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.90 1mux h ASN 111 Cb 0.59 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 1mux h ASN 111 CO -0.67 -0.46 0.00 0.18 -1.29 0.00 0.00 177.43 175.18 1mux n LEU 112 N -5.42 0.00 0.00 1.61 4.77 -0.64 -4.89 117.00 112.43 1mux n LEU 112 Ca -0.12 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1mux n LEU 112 Cb 0.32 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1mux n LEU 112 CO 0.35 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1mux n GLY 113 N -0.92 0.00 2.93 -0.72 0.00 -0.43 -5.11 105.19 100.94 1mux n GLY 113 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1mux n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mux s GLU 114 N 0.00 1.70 -0.37 1.61 0.41 -1.01 -5.02 118.70 116.01 1mux s GLU 114 Ca 0.00 -2.27 -0.29 0.00 -0.41 0.00 0.00 54.97 52.00 1mux s GLU 114 Cb 0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1mux s GLU 114 CO 0.00 -1.06 1.41 0.21 -0.49 0.00 0.00 175.26 175.33 1mux s LYS 115 N 0.20 3.65 0.51 1.61 2.20 -1.26 -4.19 119.74 122.46 1mux s LYS 115 Ca 0.15 1.06 0.03 0.00 -0.36 0.00 0.00 55.97 56.85 1mux s LYS 115 Cb -0.23 -4.00 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 1mux s LYS 115 CO -0.03 -1.47 0.10 -0.51 -0.36 0.00 0.00 175.35 173.08 1mux s LEU 116 N 5.25 2.46 0.22 5.43 1.02 -1.26 -5.14 118.68 126.66 1mux s LEU 116 Ca 0.61 -1.52 0.05 0.00 0.02 0.00 0.00 54.13 53.29 1mux s LEU 116 Cb -0.15 -0.88 -0.03 0.00 0.02 0.00 0.00 46.19 45.15 1mux s LEU 116 CO 0.30 -0.87 0.32 -0.89 0.02 0.00 0.00 176.35 175.23 1mux s THR 117 N -2.83 5.15 0.22 5.49 2.01 -1.26 -5.01 115.64 119.41 1mux s THR 117 Ca 0.15 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.08 1mux s THR 117 Cb 0.01 -3.77 0.18 0.00 0.01 0.00 0.00 72.50 68.94 1mux s THR 117 CO 0.09 -0.28 1.89 0.44 -0.69 0.00 0.00 174.62 176.07 1mux h ASP 118 N 1.43 0.93 0.07 3.53 3.32 -2.01 -2.78 116.42 120.91 1mux h ASP 118 Ca -0.51 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 1mux h ASP 118 Cb 1.22 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1mux h ASP 118 CO 0.62 0.67 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.45 1mux h GLU 119 N 1.09 -0.08 -0.15 3.56 5.08 -1.99 -2.23 114.58 119.86 1mux h GLU 119 Ca 0.30 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1mux h GLU 119 Cb -0.12 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1mux h GLU 119 CO -0.07 -0.05 -0.21 0.93 -1.00 0.00 0.00 179.01 178.61 1mux h GLU 120 N -0.09 -0.24 0.22 2.33 5.08 -1.92 -0.93 114.58 119.03 1mux h GLU 120 Ca -0.01 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1mux h GLU 120 Cb 0.07 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1mux h GLU 120 CO 0.01 -0.16 -0.32 0.28 -1.00 0.00 0.00 179.01 177.82 1mux h VAL 121 N -0.25 0.32 -0.36 3.13 2.07 -1.40 -0.46 116.25 119.30 1mux h VAL 121 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.73 1mux h VAL 121 Cb 0.41 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1mux h VAL 121 CO -0.30 0.00 0.35 -0.78 0.02 0.00 0.00 177.57 176.87 1mux h ASP 122 N -0.61 0.00 0.44 0.57 3.58 -1.11 0.61 116.42 119.91 1mux h ASP 122 Ca 0.01 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.24 1mux h ASP 122 Cb 0.59 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 1mux h ASP 122 CO -0.13 0.00 -0.94 -0.08 -2.88 0.00 0.00 179.24 175.21 1mux h GLU 123 N 0.00 0.33 -0.15 0.28 4.81 0.30 -2.59 114.58 117.56 1mux h GLU 123 Ca 0.17 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1mux h GLU 123 Cb 0.88 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1mux h GLU 123 CO -0.00 1.06 -0.04 0.52 -0.73 0.00 0.00 179.01 179.82 1mux h MET 124 N 0.18 0.30 -0.37 1.92 2.86 0.06 -1.44 114.93 118.43 1mux h MET 124 Ca -0.07 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1mux h MET 124 Cb 1.59 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 1mux h MET 124 CO 0.16 0.59 0.11 0.82 1.06 0.00 0.00 176.91 179.65 1mux h ILE 125 N -0.00 1.21 -0.31 -1.22 1.08 -1.54 -2.38 117.51 114.35 1mux h ILE 125 Ca 0.04 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.77 1mux h ILE 125 Cb 0.48 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1mux h ILE 125 CO 0.02 0.25 0.07 -0.09 -0.69 0.00 0.00 178.15 177.70 1mux h ARG 126 N 0.46 0.46 -0.20 2.37 9.65 -1.45 -1.95 114.38 123.71 1mux h ARG 126 Ca 0.12 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 1mux h ARG 126 Cb 0.26 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1mux h ARG 126 CO -0.00 0.43 -0.31 0.93 2.80 0.00 0.00 179.97 183.81 1mux h GLU 127 N 0.45 0.40 -0.24 0.20 4.39 -0.89 -3.08 114.58 115.82 1mux h GLU 127 Ca 0.11 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 1mux h GLU 127 Cb 0.19 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1mux h GLU 127 CO -0.00 0.68 -0.42 0.00 -1.16 0.00 0.00 179.01 178.10 1mux h ALA 128 N 1.32 0.37 -0.54 3.43 0.00 -0.87 -3.40 119.26 119.56 1mux h ALA 128 Ca 0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1mux h ALA 128 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1mux h ALA 128 CO 0.06 0.49 0.64 -0.25 0.00 0.00 0.00 179.25 180.18 1mux n ASP 129 N -4.18 1.48 0.13 0.00 9.92 -0.94 -4.73 116.55 118.22 1mux n ASP 129 Ca -0.05 -1.13 0.02 0.00 -0.53 0.00 0.00 54.79 53.10 1mux n ASP 129 Cb 0.55 -1.49 0.39 0.00 -0.64 0.00 0.00 41.12 39.93 1mux n ASP 129 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1mux h ILE 130 N 7.63 1.18 0.00 0.53 2.04 -1.85 -2.99 117.51 124.05 1mux h ILE 130 Ca -0.05 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1mux h ILE 130 Cb 1.08 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1mux h ILE 130 CO 1.12 0.25 -1.76 -0.90 0.00 0.00 0.00 178.15 176.86 1mux n ASP 131 N -4.27 0.55 -1.69 1.72 5.68 -1.26 -5.04 116.55 112.23 1mux n ASP 131 Ca -0.01 -0.14 -0.01 0.00 -0.50 0.00 0.00 54.79 54.14 1mux n ASP 131 Cb 0.27 1.77 0.00 0.00 -1.14 0.00 0.00 41.12 42.03 1mux n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 132 N 1.39 -0.63 0.53 6.12 0.00 -1.13 -5.04 105.19 106.44 1mux n GLY 132 Ca -0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 1.14 0.00 1.61 8.00 -1.26 -5.04 116.55 120.26 1mux n ASP 133 Ca 0.01 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1mux n ASP 133 Cb 0.25 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 2.16 0.32 3.12 0.44 0.00 -1.26 -5.14 105.19 104.84 1mux n GLY 134 Ca -0.28 0.00 -0.09 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 0.00 0.62 -0.47 1.61 0.00 -1.26 -4.93 119.66 115.23 1mux s GLN 135 Ca 0.00 -0.82 -0.21 0.00 -0.00 0.00 0.00 55.36 54.33 1mux s GLN 135 Cb 0.00 0.24 0.03 0.00 0.00 0.00 0.00 33.01 33.28 1mux s GLN 135 CO 0.00 -0.16 0.68 0.08 0.00 0.00 0.00 175.29 175.89 1mux s VAL 136 N -2.88 4.78 0.67 3.63 1.01 -1.05 -4.84 120.40 121.73 1mux s VAL 136 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1mux s VAL 136 Cb 0.00 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1mux s VAL 136 CO -0.06 -0.71 1.03 0.54 0.00 0.00 0.00 175.10 175.90 1mux s ASN 137 N 2.26 5.36 0.46 3.32 4.22 -1.26 -2.49 114.94 126.80 1mux s ASN 137 Ca 0.22 0.90 0.30 0.00 -2.14 0.00 0.00 52.86 52.14 1mux s ASN 137 Cb -0.15 -1.72 1.40 0.00 1.28 0.00 0.00 41.25 42.05 1mux s ASN 137 CO 0.18 -1.32 1.69 0.22 -2.04 0.00 0.00 177.10 175.83 1mux h TYR 138 N -0.52 0.42 0.22 1.54 5.03 -1.97 -1.70 116.97 119.98 1mux h TYR 138 Ca -0.45 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 60.86 1mux h TYR 138 Cb 1.27 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.44 1mux h TYR 138 CO 0.46 -0.08 -0.11 1.49 -1.32 0.00 0.00 178.16 178.60 1mux h GLU 139 N 0.14 -0.29 -0.44 1.82 4.81 -1.96 -2.37 114.58 116.29 1mux h GLU 139 Ca 0.73 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 60.11 1mux h GLU 139 Cb 2.37 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.80 1mux h GLU 139 CO -0.28 -0.19 0.45 0.93 -0.73 0.00 0.00 179.01 179.20 1mux h GLU 140 N -0.38 0.00 -0.45 1.92 5.08 -1.75 1.00 114.58 119.99 1mux h GLU 140 Ca -0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1mux h GLU 140 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1mux h GLU 140 CO 0.05 0.00 -0.23 0.35 -1.00 0.00 0.00 179.01 178.18 1mux h PHE 141 N 0.00 1.11 0.00 4.33 3.57 -1.19 -2.23 116.94 122.53 1mux h PHE 141 Ca 0.21 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1mux h PHE 141 Cb 1.11 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1mux h PHE 141 CO 0.00 1.09 -0.22 0.28 -2.23 0.00 0.00 178.31 177.23 1mux h VAL 142 N 0.80 0.04 0.00 1.41 2.07 -0.31 -3.21 116.25 117.05 1mux h VAL 142 Ca 0.10 -1.06 -0.18 0.00 0.82 0.00 0.00 66.70 66.39 1mux h VAL 142 Cb 0.81 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1mux h VAL 142 CO 0.07 0.02 -0.86 1.56 0.02 0.00 0.00 177.57 178.38 1mux h GLN 143 N 0.00 0.00 0.00 1.57 1.08 -1.09 -2.66 115.11 114.01 1mux h GLN 143 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1mux h GLN 143 Cb 1.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1mux h GLN 143 CO 0.00 0.80 -0.60 0.00 -0.95 0.00 0.00 178.83 178.09 1mux h MET 144 N 0.00 0.00 0.14 1.46 -0.00 -1.47 -3.28 114.93 111.79 1mux h MET 144 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 59.70 59.32 1mux h MET 144 Cb 1.64 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.23 1mux h MET 144 CO 0.11 0.13 -1.93 0.52 -0.00 0.00 0.00 176.91 175.73 1mux h MET 145 N 0.00 0.30 0.16 -0.10 2.86 -1.61 -3.41 114.93 113.14 1mux h MET 145 Ca -0.02 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1mux h MET 145 Cb 1.15 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1mux h MET 145 CO 0.02 1.24 -0.08 1.79 1.06 0.00 0.00 176.91 180.94 1mux h THR 146 N 0.08 0.00 -2.31 2.22 1.35 -1.61 -3.49 112.91 109.14 1mux h THR 146 Ca -0.40 -0.03 0.21 0.00 -0.55 0.00 0.00 66.41 65.63 1mux h THR 146 Cb 2.05 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.43 1mux h THR 146 CO 0.11 0.00 0.64 0.00 -0.25 0.00 0.00 175.52 176.02 1mux n ALA 147 N -2.13 -2.75 0.12 6.62 0.00 -1.23 -5.12 120.51 116.02 1mux n ALA 147 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 53.44 52.57 1mux n ALA 147 Cb 0.09 0.38 0.06 0.00 0.00 0.00 0.00 19.45 19.97 1mux n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67