#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 4.74 0.00 0.00 1.01 -1.26 -5.00 116.67 116.16 1mux s ASP 2 Ca 0.00 -0.29 0.14 0.00 0.71 0.00 0.00 52.55 53.12 1mux s ASP 2 Cb 0.00 -1.03 0.78 0.00 1.01 0.00 0.00 42.92 43.69 1mux s ASP 2 CO 0.00 0.17 1.52 0.00 0.21 0.00 0.00 175.17 177.06 1mux n GLN 3 N 0.55 1.12 0.00 8.23 6.02 -1.26 -4.92 117.38 127.12 1mux n GLN 3 Ca -0.12 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1mux n GLN 3 Cb 0.52 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.55 1mux n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mux n LEU 4 N -0.53 0.00 0.00 1.08 4.32 -1.26 -4.73 117.00 115.88 1mux n LEU 4 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1mux n LEU 4 Cb 0.09 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1mux n LEU 4 CO 0.08 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.60 1mux n THR 5 N 0.00 0.00 0.24 -5.08 -2.24 -1.26 -1.85 114.28 104.09 1mux n THR 5 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1mux n THR 5 Cb 0.00 0.00 0.83 0.00 -2.10 0.00 0.00 70.33 69.06 1mux n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1mux h GLU 6 N 0.00 0.00 -0.44 -0.78 5.08 -1.90 -1.56 114.58 114.97 1mux h GLU 6 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1mux h GLU 6 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1mux h GLU 6 CO 0.00 0.00 -0.14 1.49 -1.00 0.00 0.00 179.01 179.36 1mux h GLU 7 N 0.00 0.83 0.21 2.33 4.81 -1.91 -1.78 114.58 119.07 1mux h GLU 7 Ca 0.00 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1mux h GLU 7 Cb 0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1mux h GLU 7 CO 0.00 0.92 -0.10 0.37 -0.73 0.00 0.00 179.01 179.47 1mux h GLN 8 N 0.74 -0.27 -0.98 1.92 5.75 -0.52 -2.43 115.11 119.32 1mux h GLN 8 Ca 0.12 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.81 1mux h GLN 8 Cb 0.65 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.16 1mux h GLN 8 CO 0.05 0.10 0.61 0.82 -2.65 0.00 0.00 178.83 177.76 1mux h ILE 9 N -0.90 0.75 -0.43 2.39 2.04 -1.59 0.23 117.51 120.00 1mux h ILE 9 Ca -0.03 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1mux h ILE 9 Cb 0.50 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1mux h ILE 9 CO 0.05 0.14 -0.07 0.00 0.00 0.00 0.00 178.15 178.26 1mux h ALA 10 N 1.62 1.07 -0.03 1.87 0.00 -1.34 -1.96 119.26 120.49 1mux h ALA 10 Ca 0.54 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1mux h ALA 10 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mux h ALA 10 CO -0.31 0.58 -0.01 1.49 0.00 0.00 0.00 179.25 180.99 1mux h GLU 11 N 0.68 -0.01 -0.21 0.00 4.81 -0.04 -1.55 114.58 118.27 1mux h GLU 11 Ca 0.12 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1mux h GLU 11 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1mux h GLU 11 CO 0.03 -0.00 -0.06 0.74 -0.73 0.00 0.00 179.01 178.99 1mux h PHE 12 N -0.01 0.33 -0.44 0.92 0.04 -1.26 -2.29 116.94 114.23 1mux h PHE 12 Ca 0.02 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1mux h PHE 12 Cb 0.03 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1mux h PHE 12 CO -0.10 0.38 -0.04 0.87 -0.60 0.00 0.00 178.31 178.82 1mux h LYS 13 N 0.31 0.74 -0.33 1.51 1.57 -0.62 -2.10 116.57 117.64 1mux h LYS 13 Ca 0.07 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 1mux h LYS 13 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1mux h LYS 13 CO 0.01 0.78 -0.39 1.49 -0.57 0.00 0.00 179.45 180.77 1mux h GLU 14 N 0.69 0.80 -0.70 3.15 4.81 -0.75 -2.77 114.58 119.80 1mux h GLU 14 Ca 0.13 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 1mux h GLU 14 Cb 0.48 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1mux h GLU 14 CO 0.02 1.05 0.18 0.00 -0.73 0.00 0.00 179.01 179.53 1mux h ALA 15 N 0.90 1.00 0.67 2.92 0.00 -1.18 -1.94 119.26 121.63 1mux h ALA 15 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1mux h ALA 15 Cb 0.95 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1mux h ALA 15 CO 0.09 0.65 -0.32 0.35 0.00 0.00 0.00 179.25 180.02 1mux h PHE 16 N 1.05 -0.83 -0.28 0.00 3.04 -1.27 -1.59 116.94 117.04 1mux h PHE 16 Ca 0.22 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.23 1mux h PHE 16 Cb 0.35 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1mux h PHE 16 CO 0.03 -0.49 0.28 0.66 -2.02 0.00 0.00 178.31 176.77 1mux h SER 17 N -1.02 0.00 0.01 0.41 4.64 -1.47 0.76 113.55 116.87 1mux h SER 17 Ca -0.09 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1mux h SER 17 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1mux h SER 17 CO 0.15 0.00 -0.61 0.25 -0.87 0.00 0.00 176.83 175.75 1mux h LEU 18 N 0.00 0.68 0.30 5.97 7.12 -0.73 -3.30 115.31 125.33 1mux h LEU 18 Ca 0.14 -0.39 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 1mux h LEU 18 Cb 0.69 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1mux h LEU 18 CO -0.00 1.12 -0.14 -0.26 -0.13 0.00 0.00 178.44 179.03 1mux h PHE 19 N 0.44 -0.37 -1.14 1.25 0.04 0.08 -3.41 116.94 113.84 1mux h PHE 19 Ca -0.01 -0.01 -0.49 0.00 2.80 0.00 0.00 57.97 60.26 1mux h PHE 19 Cb 1.18 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 1mux h PHE 19 CO 0.05 -0.04 1.65 -0.25 -0.60 0.00 0.00 178.31 179.13 1mux n ASP 20 N -5.06 1.78 -0.14 2.17 8.00 -0.84 -4.78 116.55 117.68 1mux n ASP 20 Ca -0.08 -0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.08 1mux n ASP 20 Cb 0.25 -1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 39.96 1mux n ASP 20 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1mux h LYS 21 N 16.88 0.76 0.00 -1.24 1.79 -1.84 -2.99 116.57 129.94 1mux h LYS 21 Ca -0.20 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1mux h LYS 21 Cb 1.28 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1mux h LYS 21 CO 1.21 0.88 -0.50 0.38 -1.08 0.00 0.00 179.45 180.33 1mux h ASP 22 N 0.58 0.00 -3.46 0.86 2.03 -1.95 -3.48 116.42 111.00 1mux h ASP 22 Ca 0.11 -0.16 -0.25 0.00 -0.73 0.00 0.00 57.03 56.00 1mux h ASP 22 Cb 0.57 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 39.14 1mux h ASP 22 CO 0.03 0.08 -0.40 0.61 -1.03 0.00 0.00 179.24 178.54 1mux n GLY 23 N 1.32 -0.01 0.17 7.15 0.00 -1.13 -4.90 105.19 107.79 1mux n GLY 23 Ca 0.04 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1mux n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1mux h ASP 24 N -1.27 0.00 0.00 1.61 2.03 -1.92 -3.47 116.42 113.40 1mux h ASP 24 Ca -0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1mux h ASP 24 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1mux h ASP 24 CO 0.35 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 1mux n GLY 25 N 1.17 2.58 3.46 7.15 0.00 -1.26 -5.08 105.19 113.22 1mux n GLY 25 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.35 2.48 -0.15 2.61 -4.23 -1.26 -3.59 115.64 109.14 1mux s THR 26 Ca 0.00 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.25 1mux s THR 26 Cb 0.00 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 1mux s THR 26 CO 0.00 -0.31 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.98 1mux s ILE 27 N -2.23 2.54 0.00 2.99 1.01 -0.81 -4.88 121.20 119.82 1mux s ILE 27 Ca 0.27 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1mux s ILE 27 Cb -0.06 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1mux s ILE 27 CO 0.13 0.52 0.00 0.35 0.00 0.00 0.00 174.94 175.95 1mux n THR 28 N 3.99 0.00 0.04 2.92 -2.24 -1.26 -2.50 114.28 115.22 1mux n THR 28 Ca -0.19 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1mux n THR 28 Cb 0.52 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.78 0.63 4.28 1.35 -1.97 -3.15 112.91 114.88 1mux h THR 29 Ca 0.00 -2.43 -0.03 0.00 -0.55 0.00 0.00 66.41 63.40 1mux h THR 29 Cb 0.00 2.64 0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1mux h THR 29 CO 0.00 0.88 -0.30 0.11 -0.25 0.00 0.00 175.52 175.96 1mux h LYS 30 N 0.09 -0.81 -0.83 4.72 1.57 -1.97 -0.12 116.57 119.23 1mux h LYS 30 Ca -0.38 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1mux h LYS 30 Cb 2.07 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 34.50 1mux h LYS 30 CO 0.14 -0.50 0.51 0.93 -0.57 0.00 0.00 179.45 179.96 1mux h GLU 31 N -1.02 0.90 0.00 3.15 5.08 -1.98 0.36 114.58 121.07 1mux h GLU 31 Ca -0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1mux h GLU 31 Cb 0.69 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1mux h GLU 31 CO 0.14 0.59 -0.14 1.25 -1.00 0.00 0.00 179.01 179.85 1mux h LEU 32 N 0.92 0.00 -0.16 1.33 5.85 -1.48 -1.67 115.31 120.09 1mux h LEU 32 Ca 0.36 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1mux h LEU 32 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1mux h LEU 32 CO -0.18 0.14 0.03 1.23 -0.34 0.00 0.00 178.44 179.33 1mux h GLY 33 N 0.53 0.28 2.00 3.75 0.00 0.10 -0.80 103.07 108.93 1mux h GLY 33 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1mux h GLY 33 CO 0.02 0.17 -0.29 -0.84 0.00 0.00 0.00 176.54 175.60 1mux h THR 34 N 0.05 1.06 0.00 4.70 2.02 -1.14 -2.16 112.91 117.43 1mux h THR 34 Ca 0.05 -1.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 1mux h THR 34 Cb 0.29 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1mux h THR 34 CO 0.00 0.28 -0.55 0.58 0.37 0.00 0.00 175.52 176.21 1mux h VAL 35 N 0.00 1.22 0.00 3.16 2.07 -0.81 -1.51 116.25 120.38 1mux h VAL 35 Ca -0.00 -1.98 -0.14 0.00 0.82 0.00 0.00 66.70 65.40 1mux h VAL 35 Cb 0.56 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1mux h VAL 35 CO 0.04 0.53 -0.85 0.24 0.02 0.00 0.00 177.57 177.55 1mux h MET 36 N 0.00 0.00 0.00 1.57 2.86 -0.59 -3.28 114.93 115.49 1mux h MET 36 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1mux h MET 36 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1mux h MET 36 CO 0.07 0.48 -0.81 -0.09 1.06 0.00 0.00 176.91 177.62 1mux h ARG 37 N 0.00 0.00 -0.20 1.72 2.43 -1.32 -2.89 114.38 114.13 1mux h ARG 37 Ca -0.06 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1mux h ARG 37 Cb 1.49 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.97 1mux h ARG 37 CO 0.06 0.00 -0.31 0.77 -1.51 0.00 0.00 179.97 178.99 1mux h SER 38 N 0.00 -0.97 -0.41 -3.80 0.02 -1.34 -3.33 113.55 103.73 1mux h SER 38 Ca 0.00 0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 1mux h SER 38 Cb 0.83 0.43 -0.39 0.00 0.14 0.00 0.00 62.40 63.41 1mux h SER 38 CO 0.00 -0.34 -1.09 0.00 -1.14 0.00 0.00 176.83 174.27 1mux n LEU 39 N -5.40 1.44 0.00 5.07 -0.00 -1.26 -5.02 117.00 111.83 1mux n LEU 39 Ca -0.02 -3.02 0.00 0.00 -0.00 0.00 0.00 56.01 52.97 1mux n LEU 39 Cb 0.32 0.46 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 1mux n LEU 39 CO 0.14 1.05 0.00 0.61 -0.00 0.00 0.00 177.39 179.19 1mux n GLY 40 N -0.63 1.64 0.00 1.47 0.00 -1.10 -5.12 105.19 101.45 1mux n GLY 40 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.34 -3.33 1.61 6.02 -1.14 -4.99 117.38 115.89 1mux n GLN 41 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1mux n GLN 41 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 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 0.00 2.93 -3.26 1.08 2.85 -1.26 -4.03 115.26 113.56 1mux n ASN 42 Ca 0.00 -3.28 0.00 0.00 -0.11 0.00 0.00 54.58 51.19 1mux n ASN 42 Cb 0.00 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.37 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1mux n PRO 43 N 0.88 0.84 -4.27 1.20 -0.04 -1.26 -5.10 135.00 127.25 1mux n PRO 43 Ca 0.28 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.59 1mux n PRO 43 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1mux n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mux s THR 44 N -0.10 0.63 0.48 0.52 2.01 -1.26 -5.02 115.64 112.91 1mux s THR 44 Ca 0.00 -1.99 0.34 0.00 0.31 0.00 0.00 61.69 60.35 1mux s THR 44 Cb 0.00 -2.31 0.37 0.00 0.01 0.00 0.00 72.50 70.56 1mux s THR 44 CO 0.00 -0.29 2.19 -0.33 -0.69 0.00 0.00 174.62 175.50 1mux h GLU 45 N 2.58 0.00 0.00 4.92 4.39 -1.99 -1.91 114.58 122.58 1mux h GLU 45 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1mux h GLU 45 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1mux h GLU 45 CO 0.62 0.04 0.00 0.00 -1.16 0.00 0.00 179.01 178.51 1mux n ALA 46 N -2.20 -0.17 -0.23 3.43 0.00 -1.26 -2.32 120.51 117.77 1mux n ALA 46 Ca -0.02 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.69 1mux n ALA 46 Cb 0.17 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.28 1mux n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mux h GLU 47 N 0.00 0.12 0.08 0.00 4.39 -1.97 -0.43 114.58 116.77 1mux h GLU 47 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1mux h GLU 47 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1mux h GLU 47 CO 0.00 0.08 -0.04 1.25 -1.16 0.00 0.00 179.01 179.14 1mux h LEU 48 N 0.13 -0.09 -0.82 1.33 6.46 -1.40 -1.50 115.31 119.42 1mux h LEU 48 Ca 0.47 -0.13 0.12 0.00 -0.12 0.00 0.00 57.88 58.23 1mux h LEU 48 Cb 1.66 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 41.53 1mux h LEU 48 CO -0.07 0.08 0.43 -0.61 -0.62 0.00 0.00 178.44 177.64 1mux h GLN 49 N -0.25 0.64 -0.41 1.25 4.15 -0.66 0.22 115.11 120.05 1mux h GLN 49 Ca -0.01 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1mux h GLN 49 Cb 0.21 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1mux h GLN 49 CO 0.02 0.42 0.14 -0.44 -1.93 0.00 0.00 178.83 177.03 1mux h ASP 50 N 0.66 0.53 0.79 -0.69 3.32 -1.22 -0.62 116.42 119.19 1mux h ASP 50 Ca 0.43 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 1mux h ASP 50 Cb 0.53 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1mux h ASP 50 CO -0.32 0.51 -0.10 -0.03 -1.72 0.00 0.00 179.24 177.58 1mux h MET 51 N 0.58 0.00 0.00 3.56 4.05 0.46 -2.78 114.93 120.80 1mux h MET 51 Ca 0.14 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.29 1mux h MET 51 Cb 0.16 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1mux h MET 51 CO -0.01 0.10 -1.51 0.82 0.23 0.00 0.00 176.91 176.54 1mux h ILE 52 N 0.00 1.08 -0.83 1.77 2.04 -0.25 -3.35 117.51 117.97 1mux h ILE 52 Ca -0.00 -2.90 0.15 0.00 1.00 0.00 0.00 64.86 63.11 1mux h ILE 52 Cb 0.53 2.54 -0.10 0.00 -0.74 0.00 0.00 36.82 39.05 1mux h ILE 52 CO 0.01 0.62 0.41 0.78 0.00 0.00 0.00 178.15 179.97 1mux h ASN 53 N 0.00 0.46 0.43 1.72 4.21 -1.00 0.16 115.58 121.57 1mux h ASN 53 Ca -0.21 0.10 -0.09 0.00 1.21 0.00 0.00 56.30 57.31 1mux h ASN 53 Cb 1.95 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 39.17 1mux h ASN 53 CO 0.09 0.18 -0.43 1.05 -1.29 0.00 0.00 177.43 177.04 1mux h GLU 54 N 0.57 0.00 0.00 0.81 4.11 -1.69 -3.33 114.58 115.05 1mux h GLU 54 Ca 0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.89 1mux h GLU 54 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1mux h GLU 54 CO -0.38 0.43 -0.00 0.28 0.07 0.00 0.00 179.01 179.40 1mux h VAL 55 N 0.00 0.00 -0.14 -1.06 2.07 -0.88 -3.42 116.25 112.82 1mux h VAL 55 Ca -0.00 -0.01 -0.38 0.00 0.82 0.00 0.00 66.70 67.12 1mux h VAL 55 Cb 0.76 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 1mux h VAL 55 CO 0.06 0.00 1.73 -0.67 0.02 0.00 0.00 177.57 178.70 1mux n ASP 56 N -2.04 -0.31 -3.35 0.57 2.03 -0.37 -4.77 116.55 108.32 1mux n ASP 56 Ca -0.00 -0.38 -0.34 0.00 0.52 0.00 0.00 54.79 54.59 1mux n ASP 56 Cb 0.00 -0.84 -0.01 0.00 -0.72 0.00 0.00 41.12 39.55 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 9.17 5.29 0.00 -1.67 0.00 -1.26 -4.54 120.51 127.50 1mux n ALA 57 Ca 0.63 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 49.39 1mux n ALA 57 Cb 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1mux n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mux n ASP 58 N 0.02 0.00 0.00 0.00 5.68 -1.26 -5.06 116.55 115.93 1mux n ASP 58 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1mux n ASP 58 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 59 N -0.71 0.72 0.00 6.12 0.00 -1.26 -5.04 105.19 105.02 1mux n GLY 59 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.31 0.00 1.61 5.03 -1.26 -5.02 115.26 116.93 1mux n ASN 60 Ca 0.00 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.05 1mux n ASN 60 Cb 0.00 1.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.79 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mux n GLY 61 N 1.42 2.06 3.83 7.41 0.00 -1.26 -4.92 105.19 113.72 1mux n GLY 61 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 2.50 0.05 2.61 -4.23 -1.26 -4.97 115.64 110.35 1mux s THR 62 Ca 0.00 -1.47 -0.19 0.00 -1.18 0.00 0.00 61.69 58.86 1mux s THR 62 Cb 0.00 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 1mux s THR 62 CO 0.00 0.00 0.55 -0.63 -0.54 0.00 0.00 174.62 174.00 1mux s ILE 63 N -2.53 4.80 0.58 2.99 1.01 -1.04 -4.93 121.20 122.09 1mux s ILE 63 Ca 0.45 1.17 0.08 0.00 0.00 0.00 0.00 60.65 62.35 1mux s ILE 63 Cb -0.01 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.67 1mux s ILE 63 CO 0.26 0.54 0.68 -0.62 0.00 0.00 0.00 174.94 175.80 1mux s ASP 64 N -0.99 4.88 -0.01 3.58 -1.08 -1.26 -1.92 116.67 119.87 1mux s ASP 64 Ca 0.28 -1.05 -0.22 0.00 -0.52 0.00 0.00 52.55 51.05 1mux s ASP 64 Cb -0.19 0.47 -0.20 0.00 -1.46 0.00 0.00 42.92 41.53 1mux s ASP 64 CO 0.18 -1.33 1.16 0.15 0.52 0.00 0.00 175.17 175.85 1mux h PHE 65 N 0.33 0.38 0.00 -5.34 3.04 -1.99 -1.88 116.94 111.47 1mux h PHE 65 Ca -0.31 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.44 1mux h PHE 65 Cb 1.30 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 1mux h PHE 65 CO 0.65 0.90 -0.14 -1.00 -2.02 0.00 0.00 178.31 176.71 1mux h PRO 66 N -0.25 0.00 0.19 6.41 0.13 -1.96 -2.47 132.00 134.04 1mux h PRO 66 Ca -0.02 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.80 1mux h PRO 66 Cb 0.94 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.09 1mux h PRO 66 CO 0.06 0.14 -1.45 1.49 -0.23 0.00 0.00 178.00 178.00 1mux h GLU 67 N 0.00 0.39 -0.52 0.86 4.81 -1.95 -2.54 114.58 115.64 1mux h GLU 67 Ca -0.00 -0.67 -0.10 0.00 -0.13 0.00 0.00 59.36 58.46 1mux h GLU 67 Cb 0.69 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1mux h GLU 67 CO 0.02 1.31 -0.07 0.35 -0.73 0.00 0.00 179.01 179.88 1mux h PHE 68 N 0.11 1.03 -0.12 0.92 3.04 -1.20 -1.33 116.94 119.39 1mux h PHE 68 Ca -0.23 -0.19 -0.19 0.00 3.98 0.00 0.00 57.97 61.35 1mux h PHE 68 Cb 2.08 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 40.32 1mux h PHE 68 CO 0.09 0.96 -0.69 1.25 -2.02 0.00 0.00 178.31 177.90 1mux h LEU 69 N 0.85 0.61 -0.14 0.59 6.46 -1.52 -2.76 115.31 119.40 1mux h LEU 69 Ca 0.14 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1mux h LEU 69 Cb 0.60 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1mux h LEU 69 CO 0.04 1.13 0.00 0.41 -0.62 0.00 0.00 178.44 179.39 1mux n THR 70 N -3.89 0.53 -0.03 1.05 -1.04 -0.96 -1.35 114.28 108.60 1mux n THR 70 Ca -0.05 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.75 1mux n THR 70 Cb 0.69 -0.75 -0.13 0.00 -1.82 0.00 0.00 70.33 68.32 1mux n THR 70 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1mux h MET 71 N 0.00 0.17 0.10 -2.82 1.85 -1.03 -3.37 114.93 109.82 1mux h MET 71 Ca 0.00 -0.29 -0.35 0.00 -0.61 0.00 0.00 59.70 58.45 1mux h MET 71 Cb 0.50 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 1mux h MET 71 CO 0.00 1.14 -1.95 -1.33 -0.40 0.00 0.00 176.91 174.37 1mux n MET 72 N -3.92 0.73 0.26 0.39 2.81 -1.06 -3.98 117.12 112.35 1mux n MET 72 Ca -0.30 0.27 0.16 0.00 -1.81 0.00 0.00 57.70 56.01 1mux n MET 72 Cb 0.88 -1.72 0.84 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.28 1.10 -0.94 3.04 0.00 -1.44 -2.31 119.26 118.99 1mux h ALA 73 Ca -0.40 0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.78 1mux h ALA 73 Cb 2.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 1mux h ALA 73 CO 0.08 -0.10 0.71 0.00 0.00 0.00 0.00 179.25 179.94 1mux h ARG 74 N 0.00 0.00 -5.57 0.00 3.08 -1.73 -3.38 114.38 106.78 1mux h ARG 74 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1mux h ARG 74 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1mux h ARG 74 CO 0.00 0.00 1.26 0.21 -1.07 0.00 0.00 179.97 180.37 1mux s LYS 75 N -4.91 2.01 0.53 0.04 2.47 -0.87 -4.75 119.74 114.25 1mux s LYS 75 Ca -0.05 1.15 0.00 0.00 -1.56 0.00 0.00 55.97 55.51 1mux s LYS 75 Cb 0.21 -4.63 0.00 0.00 -1.46 0.00 0.00 37.83 31.95 1mux s LYS 75 CO 0.75 -3.53 0.00 -1.33 0.16 0.00 0.00 175.35 171.40 1mux n MET 76 N 8.98 -0.54 -3.64 4.03 2.81 -1.26 -4.98 117.12 122.52 1mux n MET 76 Ca 0.38 0.35 -0.03 0.00 -1.81 0.00 0.00 57.70 56.60 1mux n MET 76 Cb 0.52 -0.65 -0.06 0.00 -0.71 0.00 0.00 33.22 32.32 1mux n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mux s LYS 77 N -0.66 0.07 -0.13 0.03 2.47 -1.26 -4.99 119.74 115.27 1mux s LYS 77 Ca 0.00 0.05 -0.09 0.00 -1.56 0.00 0.00 55.97 54.37 1mux s LYS 77 Cb 0.00 0.04 0.05 0.00 -1.46 0.00 0.00 37.83 36.45 1mux s LYS 77 CO 0.00 -0.02 0.33 -0.51 0.16 0.00 0.00 175.35 175.31 1mux s ASP 78 N -0.49 -0.37 -0.02 1.43 1.01 -1.26 -4.96 116.67 112.00 1mux s ASP 78 Ca 0.08 0.69 -0.03 0.00 0.71 0.00 0.00 52.55 54.00 1mux s ASP 78 Cb -0.03 0.62 0.00 0.00 1.01 0.00 0.00 42.92 44.52 1mux s ASP 78 CO -0.12 -0.16 0.07 -0.89 0.21 0.00 0.00 175.17 174.29 1mux s THR 79 N 0.91 0.03 -0.32 -1.27 2.01 -1.26 -4.33 115.64 111.42 1mux s THR 79 Ca -0.06 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 1mux s THR 79 Cb -0.07 -0.20 0.22 0.00 0.01 0.00 0.00 72.50 72.45 1mux s THR 79 CO -0.07 -0.16 1.15 -1.81 -0.69 0.00 0.00 174.62 173.05 1mux s ASP 80 N -0.48 -0.12 0.34 3.53 1.01 -1.26 -5.17 116.67 114.52 1mux s ASP 80 Ca -0.05 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.08 1mux s ASP 80 Cb -0.04 0.16 0.04 0.00 1.01 0.00 0.00 42.92 44.10 1mux s ASP 80 CO 0.00 -0.00 0.32 -1.20 0.21 0.00 0.00 175.17 174.50 1mux n SER 81 N 2.60 0.65 -4.68 0.27 7.64 -1.26 -5.06 113.62 113.79 1mux n SER 81 Ca 0.10 -1.50 -0.40 0.00 1.01 0.00 0.00 58.87 58.08 1mux n SER 81 Cb 0.66 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1mux n SER 81 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mux s GLU 82 N -3.13 4.30 -0.30 1.43 8.01 -1.26 -4.97 118.70 122.77 1mux s GLU 82 Ca 0.23 0.83 -0.16 0.00 0.01 0.00 0.00 54.97 55.87 1mux s GLU 82 Cb -0.02 -3.55 0.18 0.00 -4.31 0.00 0.00 34.13 26.44 1mux s GLU 82 CO 0.15 -0.20 1.19 -1.21 0.01 0.00 0.00 175.26 175.19 1mux s GLU 83 N 1.74 0.01 0.19 1.61 2.02 -1.26 -5.03 118.70 117.98 1mux s GLU 83 Ca 0.34 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 55.22 1mux s GLU 83 Cb -0.16 0.00 0.12 0.00 0.10 0.00 0.00 34.13 34.18 1mux s GLU 83 CO 0.13 -0.01 1.83 0.93 0.02 0.00 0.00 175.26 178.16 1mux h GLU 84 N 6.69 0.90 -0.93 1.61 5.08 -2.01 -2.20 114.58 123.72 1mux h GLU 84 Ca -0.11 -0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1mux h GLU 84 Cb 1.18 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 1mux h GLU 84 CO -0.17 0.64 0.59 0.82 -1.00 0.00 0.00 179.01 179.89 1mux h ILE 85 N 0.90 0.81 0.45 3.13 2.04 -2.00 -1.97 117.51 120.88 1mux h ILE 85 Ca 0.24 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1mux h ILE 85 Cb -0.04 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1mux h ILE 85 CO -0.05 0.13 -0.22 -0.09 0.00 0.00 0.00 178.15 177.93 1mux h ARG 86 N 0.72 -0.59 -0.96 2.37 1.12 -1.81 -2.43 114.38 112.80 1mux h ARG 86 Ca 0.48 0.04 0.21 0.00 -1.11 0.00 0.00 59.98 59.60 1mux h ARG 86 Cb 0.77 0.13 -0.12 0.00 -0.01 0.00 0.00 29.97 30.75 1mux h ARG 86 CO -0.24 -0.31 0.53 0.93 -3.11 0.00 0.00 179.97 177.77 1mux h GLU 87 N -0.79 0.56 0.92 0.20 5.08 -1.28 -1.76 114.58 117.50 1mux h GLU 87 Ca -0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1mux h GLU 87 Cb 0.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1mux h GLU 87 CO 0.10 0.37 -0.49 0.00 -1.00 0.00 0.00 179.01 178.00 1mux h ALA 88 N 1.68 -1.32 -0.25 3.43 0.00 -1.15 -1.37 119.26 120.29 1mux h ALA 88 Ca 0.58 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1mux h ALA 88 Cb 1.03 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1mux h ALA 88 CO -0.45 -1.25 0.53 0.35 0.00 0.00 0.00 179.25 178.43 1mux h PHE 89 N -1.29 0.00 0.33 0.00 3.57 -0.86 -1.73 116.94 116.96 1mux h PHE 89 Ca -0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1mux h PHE 89 Cb 1.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1mux h PHE 89 CO -0.05 0.00 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.78 1mux h ARG 90 N 0.00 -0.43 -0.24 1.11 2.43 -0.59 -0.29 114.38 116.38 1mux h ARG 90 Ca 0.12 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1mux h ARG 90 Cb 1.17 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1mux h ARG 90 CO -0.00 -0.19 0.15 -0.39 -1.51 0.00 0.00 179.97 178.03 1mux h VAL 91 N -1.06 1.07 0.00 0.20 -1.51 -1.01 -0.59 116.25 113.35 1mux h VAL 91 Ca -0.05 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1mux h VAL 91 Cb 0.44 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1mux h VAL 91 CO 0.07 0.07 -0.05 -0.26 -1.23 0.00 0.00 177.57 176.18 1mux h PHE 92 N 0.32 0.00 -2.06 5.19 0.04 -1.43 -3.34 116.94 115.66 1mux h PHE 92 Ca 0.09 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.29 1mux h PHE 92 Cb -0.02 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 37.71 1mux h PHE 92 CO 0.00 0.00 -0.76 -3.47 -0.60 0.00 0.00 178.31 173.48 1mux n ASP 93 N -2.96 3.90 -1.84 2.17 2.03 -0.12 -4.73 116.55 115.00 1mux n ASP 93 Ca 0.04 -3.56 -0.15 0.00 0.52 0.00 0.00 54.79 51.64 1mux n ASP 93 Cb 0.52 -0.55 0.04 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.21 1.73 0.00 -0.67 2.85 -0.97 -3.90 118.16 116.99 1mux n LYS 94 Ca 0.31 -1.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.14 1mux n LYS 94 Cb 0.49 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1mux n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1mux n ASP 95 N 0.41 3.49 0.00 -5.58 5.68 -1.26 -5.06 116.55 114.23 1mux n ASP 95 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 1mux n ASP 95 Cb 0.59 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 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 2.31 1.12 0.00 6.12 0.00 -1.25 -5.02 105.19 108.47 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 2.63 -0.94 1.61 0.23 -1.26 -5.06 115.26 112.47 1mux n ASN 97 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1mux n ASN 97 Cb 0.00 0.48 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 1.41 0.51 3.29 4.83 0.00 -1.26 -5.08 105.19 108.88 1mux n GLY 98 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.00 -0.39 -0.31 1.61 2.02 -1.26 -4.66 117.35 111.35 1mux s TYR 99 Ca 0.00 0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 57.56 1mux s TYR 99 Cb -0.00 0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.75 1mux s TYR 99 CO 0.00 -0.27 0.05 0.42 -1.57 0.00 0.00 175.55 174.19 1mux s ILE 100 N -0.17 3.44 0.11 2.71 1.01 -0.79 -4.67 121.20 122.83 1mux s ILE 100 Ca -0.03 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1mux s ILE 100 Cb -0.03 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1mux s ILE 100 CO 0.02 -0.10 0.13 -0.94 0.00 0.00 0.00 174.94 174.05 1mux s SER 101 N 1.35 5.71 0.56 3.58 1.04 -1.26 -2.64 113.70 122.04 1mux s SER 101 Ca -0.02 0.01 0.36 0.00 0.48 0.00 0.00 55.95 56.77 1mux s SER 101 Cb -0.19 -1.58 1.48 0.00 0.10 0.00 0.00 66.02 65.83 1mux s SER 101 CO 0.01 0.13 1.73 0.00 0.98 0.00 0.00 173.24 176.09 1mux h ALA 102 N 2.92 3.03 0.36 5.32 0.00 -1.93 -0.20 119.26 128.75 1mux h ALA 102 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1mux h ALA 102 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mux h ALA 102 CO 0.67 -1.49 -0.17 0.00 0.00 0.00 0.00 179.25 178.26 1mux h ALA 103 N 1.25 -0.48 -0.27 0.00 0.00 -1.99 -2.22 119.26 115.55 1mux h ALA 103 Ca 0.54 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1mux h ALA 103 Cb 2.34 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 20.31 1mux h ALA 103 CO -0.01 -0.57 0.19 0.93 0.00 0.00 0.00 179.25 179.80 1mux h GLU 104 N -0.90 0.14 -0.18 0.00 5.08 -1.40 -0.70 114.58 116.62 1mux h GLU 104 Ca -0.05 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1mux h GLU 104 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1mux h GLU 104 CO 0.08 0.09 -0.44 1.25 -1.00 0.00 0.00 179.01 178.99 1mux h LEU 105 N 0.14 0.47 -0.33 1.33 5.85 -1.27 -1.33 115.31 120.18 1mux h LEU 105 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1mux h LEU 105 Cb 0.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1mux h LEU 105 CO -0.02 0.84 0.00 -0.09 -0.34 0.00 0.00 178.44 178.84 1mux h ARG 106 N 0.36 0.00 0.00 1.25 2.43 -0.51 -2.17 114.38 115.74 1mux h ARG 106 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1mux h ARG 106 Cb 0.91 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1mux h ARG 106 CO 0.08 0.00 -1.21 1.58 -1.51 0.00 0.00 179.97 178.91 1mux n HIS 107 N -3.07 0.80 -0.11 2.20 -0.00 -0.76 -4.08 115.22 110.20 1mux n HIS 107 Ca 0.03 0.23 -0.22 0.00 0.46 0.00 0.00 57.72 58.22 1mux n HIS 107 Cb 0.48 -0.89 -0.10 0.00 -0.12 0.00 0.00 29.99 29.36 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1mux n VAL 108 N -2.61 1.53 -0.36 3.57 0.31 -0.53 -4.09 118.33 116.14 1mux n VAL 108 Ca -0.01 -0.09 0.30 0.00 -0.01 0.00 0.00 64.34 64.53 1mux n VAL 108 Cb 0.57 -2.03 0.62 0.00 -0.91 0.00 0.00 33.84 32.08 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 -1.00 0.20 0.16 5.55 2.07 -1.60 0.85 114.93 121.17 1mux h MET 109 Ca -0.40 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.21 1mux h MET 109 Cb 1.32 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 31.01 1mux h MET 109 CO -0.25 0.13 -0.08 1.79 1.07 0.00 0.00 176.91 179.58 1mux h THR 110 N 0.21 0.91 -0.82 2.22 1.35 -1.71 -2.29 112.91 112.78 1mux h THR 110 Ca 0.65 -0.31 0.12 0.00 -0.55 0.00 0.00 66.41 66.31 1mux h THR 110 Cb 2.02 1.10 -0.08 0.00 -1.73 0.00 0.00 68.15 69.46 1mux h THR 110 CO -0.23 0.07 0.43 0.78 -0.25 0.00 0.00 175.52 176.32 1mux h ASN 111 N -0.37 0.57 -0.78 5.36 2.35 -0.99 -0.22 115.58 121.49 1mux h ASN 111 Ca -0.02 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1mux h ASN 111 Cb 0.29 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1mux h ASN 111 CO 0.04 0.29 0.52 -0.07 -1.65 0.00 0.00 177.43 176.55 1mux h LEU 112 N 0.68 0.89 0.00 1.61 3.38 -1.19 -3.46 115.31 117.21 1mux h LEU 112 Ca 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1mux h LEU 112 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1mux h LEU 112 CO -0.31 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1mux n GLY 113 N -1.42 1.89 3.57 0.83 0.00 -0.09 -5.08 105.19 104.89 1mux n GLY 113 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 3.51 -0.12 1.61 0.41 -1.03 -4.96 118.70 118.12 1mux s GLU 114 Ca 0.00 0.17 -0.24 0.00 -0.41 0.00 0.00 54.97 54.49 1mux s GLU 114 Cb 0.00 -3.99 -0.03 0.00 -1.78 0.00 0.00 34.13 28.34 1mux s GLU 114 CO 0.00 -1.48 0.75 -1.59 -0.49 0.00 0.00 175.26 172.45 1mux s LYS 115 N 4.37 4.36 0.13 1.61 -2.85 -1.26 -3.99 119.74 122.12 1mux s LYS 115 Ca 0.40 0.92 0.05 0.00 -1.00 0.00 0.00 55.97 56.34 1mux s LYS 115 Cb -0.09 -3.51 -0.04 0.00 -2.06 0.00 0.00 37.83 32.13 1mux s LYS 115 CO 0.25 -0.13 -0.12 -0.51 0.10 0.00 0.00 175.35 174.94 1mux s LEU 116 N 1.47 2.46 0.32 2.77 1.43 -1.26 -5.10 118.68 120.77 1mux s LEU 116 Ca 0.37 -0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1mux s LEU 116 Cb -0.17 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1mux s LEU 116 CO 0.15 -0.22 0.59 -0.89 0.23 0.00 0.00 176.35 176.21 1mux s THR 117 N -2.64 4.99 0.42 5.49 2.01 -1.26 -4.93 115.64 119.73 1mux s THR 117 Ca 0.12 0.09 0.24 0.00 0.31 0.00 0.00 61.69 62.45 1mux s THR 117 Cb -0.02 -3.75 0.44 0.00 0.01 0.00 0.00 72.50 69.18 1mux s THR 117 CO 0.02 -0.40 1.72 0.44 -0.69 0.00 0.00 174.62 175.71 1mux h ASP 118 N 1.46 0.34 0.56 3.53 5.19 -1.99 -1.99 116.42 123.52 1mux h ASP 118 Ca -0.48 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.00 1mux h ASP 118 Cb 1.19 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1mux h ASP 118 CO 0.65 -0.02 -0.28 -0.33 -3.12 0.00 0.00 179.24 176.15 1mux h GLU 119 N 0.26 -0.73 -0.76 3.56 5.08 -2.00 -2.04 114.58 117.95 1mux h GLU 119 Ca 0.67 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 59.24 1mux h GLU 119 Cb 1.94 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 31.25 1mux h GLU 119 CO -0.32 -0.49 0.26 0.93 -1.00 0.00 0.00 179.01 178.39 1mux h GLU 120 N -0.76 0.36 -0.46 2.33 5.08 -1.76 -0.47 114.58 118.89 1mux h GLU 120 Ca -0.08 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1mux h GLU 120 Cb 0.58 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1mux h GLU 120 CO 0.12 0.24 0.04 0.28 -1.00 0.00 0.00 179.01 178.69 1mux h VAL 121 N 0.37 0.69 -0.08 3.13 2.07 -1.31 0.77 116.25 121.89 1mux h VAL 121 Ca 0.43 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.88 1mux h VAL 121 Cb 0.70 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1mux h VAL 121 CO -0.46 0.03 -0.01 -0.78 0.02 0.00 0.00 177.57 176.37 1mux h ASP 122 N 0.16 0.09 -0.13 0.57 1.82 -0.35 -1.85 116.42 116.74 1mux h ASP 122 Ca 0.23 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.72 1mux h ASP 122 Cb 0.32 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1mux h ASP 122 CO -0.35 0.13 -0.40 -0.08 -1.61 0.00 0.00 179.24 176.93 1mux h GLU 123 N 0.11 0.66 0.19 0.28 4.57 -0.29 -2.53 114.58 117.56 1mux h GLU 123 Ca 0.03 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1mux h GLU 123 Cb 0.10 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1mux h GLU 123 CO 0.00 0.95 -0.09 0.52 -1.18 0.00 0.00 179.01 179.21 1mux h MET 124 N 0.54 -0.24 -0.94 1.92 2.86 -0.54 -2.41 114.93 116.12 1mux h MET 124 Ca 0.04 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.88 1mux h MET 124 Cb 0.93 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.57 1mux h MET 124 CO 0.08 0.16 0.60 0.82 1.06 0.00 0.00 176.91 179.64 1mux h ILE 125 N -0.85 0.74 0.05 -1.22 1.08 -1.46 -0.81 117.51 115.03 1mux h ILE 125 Ca -0.03 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1mux h ILE 125 Cb 0.52 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1mux h ILE 125 CO 0.04 0.11 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.50 1mux h ARG 126 N 0.61 -0.07 0.00 2.37 2.43 -1.45 -1.01 114.38 117.26 1mux h ARG 126 Ca 0.50 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1mux h ARG 126 Cb 0.95 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1mux h ARG 126 CO -0.24 0.27 -0.02 0.93 -1.51 0.00 0.00 179.97 179.40 1mux h GLU 127 N -0.41 0.00 0.00 0.20 5.08 -0.79 -1.83 114.58 116.83 1mux h GLU 127 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mux h GLU 127 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1mux h GLU 127 CO 0.01 0.02 -1.07 0.00 -1.00 0.00 0.00 179.01 176.97 1mux n ALA 128 N -2.13 2.98 -2.55 3.43 0.00 -0.40 -4.60 120.51 117.24 1mux n ALA 128 Ca -0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1mux n ALA 128 Cb 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1mux n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mux n ASP 129 N -2.25 4.89 -0.04 0.00 2.03 -0.41 -4.75 116.55 116.03 1mux n ASP 129 Ca 0.01 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.27 1mux n ASP 129 Cb 0.49 -1.69 -0.06 0.00 -0.72 0.00 0.00 41.12 39.13 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 5.12 0.12 0.00 5.18 2.04 -1.81 -1.82 117.51 126.33 1mux h ILE 130 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1mux h ILE 130 Cb 0.83 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1mux h ILE 130 CO 1.47 0.00 -0.15 -2.24 0.00 0.00 0.00 178.15 177.23 1mux h ASP 131 N -0.45 0.00 -3.42 1.72 3.04 -1.97 -3.48 116.42 111.86 1mux h ASP 131 Ca 0.09 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1mux h ASP 131 Cb 0.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1mux h ASP 131 CO -0.46 0.00 -0.01 0.61 -2.04 0.00 0.00 179.24 177.35 1mux n GLY 132 N 1.15 -0.39 0.81 7.15 0.00 -0.69 -4.98 105.19 108.24 1mux n GLY 132 Ca 0.04 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.19 3.69 -0.72 1.61 8.00 -1.26 -4.92 116.55 121.77 1mux n ASP 133 Ca -0.00 -2.95 -0.09 0.00 0.71 0.00 0.00 54.79 52.46 1mux n ASP 133 Cb 0.50 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.51 1.08 3.64 0.44 0.00 -1.26 -4.94 105.19 103.63 1mux n GLY 134 Ca 0.20 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 0.39 -0.22 1.61 -2.07 -1.26 -4.87 119.66 110.62 1mux s GLN 135 Ca 0.00 0.49 -0.16 0.00 -1.82 0.00 0.00 55.36 53.87 1mux s GLN 135 Cb 0.00 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1mux s GLN 135 CO 0.00 -0.05 0.41 0.08 -1.32 0.00 0.00 175.29 174.40 1mux s VAL 136 N 0.32 5.18 0.64 3.63 1.01 -1.08 -4.84 120.40 125.27 1mux s VAL 136 Ca 0.03 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1mux s VAL 136 Cb -0.05 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1mux s VAL 136 CO -0.09 0.21 0.89 0.21 0.00 0.00 0.00 175.10 176.32 1mux s ASN 137 N 1.23 4.74 0.12 3.32 2.47 -1.26 -1.89 114.94 123.67 1mux s ASN 137 Ca 0.18 -0.34 -0.20 0.00 0.42 0.00 0.00 52.86 52.92 1mux s ASN 137 Cb -0.15 -0.22 -0.07 0.00 -1.45 0.00 0.00 41.25 39.36 1mux s ASN 137 CO 0.08 -1.56 1.75 0.22 -3.72 0.00 0.00 177.10 173.88 1mux h TYR 138 N -0.23 0.13 -0.27 0.43 3.20 -1.98 -1.26 116.97 116.98 1mux h TYR 138 Ca -0.37 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.57 1mux h TYR 138 Cb 1.28 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.45 1mux h TYR 138 CO 0.07 0.07 -0.12 0.93 -1.64 0.00 0.00 178.16 177.47 1mux h GLU 139 N 0.16 -0.07 0.00 1.82 5.08 -1.99 -0.04 114.58 119.54 1mux h GLU 139 Ca 0.07 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1mux h GLU 139 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1mux h GLU 139 CO -0.06 -0.05 -0.17 0.93 -1.00 0.00 0.00 179.01 178.67 1mux h GLU 140 N -0.08 0.00 0.00 2.33 5.08 -1.86 -1.36 114.58 118.69 1mux h GLU 140 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1mux h GLU 140 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1mux h GLU 140 CO -0.33 0.17 -0.06 0.35 -1.00 0.00 0.00 179.01 178.14 1mux h PHE 141 N 0.00 0.00 0.05 4.33 3.04 0.18 -2.35 116.94 122.19 1mux h PHE 141 Ca -0.00 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.65 1mux h PHE 141 Cb 0.33 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1mux h PHE 141 CO 0.00 0.06 -1.61 0.28 -2.02 0.00 0.00 178.31 175.01 1mux h VAL 142 N 0.00 1.00 0.00 1.41 2.07 -0.23 -3.29 116.25 117.21 1mux h VAL 142 Ca -0.00 -2.77 -0.00 0.00 0.82 0.00 0.00 66.70 64.75 1mux h VAL 142 Cb 0.70 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1mux h VAL 142 CO 0.01 0.69 -0.44 -0.61 0.02 0.00 0.00 177.57 177.24 1mux h GLN 143 N 0.03 0.00 0.06 1.57 4.15 -1.42 -2.84 115.11 116.66 1mux h GLN 143 Ca -0.26 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 58.90 1mux h GLN 143 Cb 1.99 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.66 1mux h GLN 143 CO 0.11 0.01 -1.31 0.00 -1.93 0.00 0.00 178.83 175.71 1mux h MET 144 N 0.00 0.12 0.00 1.69 -0.00 -1.56 -3.35 114.93 111.82 1mux h MET 144 Ca -0.00 -0.21 -0.22 0.00 -0.00 0.00 0.00 59.70 59.27 1mux h MET 144 Cb 1.01 0.08 -0.04 0.00 -0.00 0.00 0.00 31.60 32.65 1mux h MET 144 CO 0.00 1.00 -1.55 -1.33 -0.00 0.00 0.00 176.91 175.03 1mux n MET 145 N -3.37 0.63 0.00 -0.10 2.81 -1.24 -4.58 117.12 111.27 1mux n MET 145 Ca -0.09 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1mux n MET 145 Cb 1.00 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1mux n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1mux n THR 146 N -2.94 0.00 -4.06 2.03 -2.24 -1.07 -4.87 114.28 101.14 1mux n THR 146 Ca -0.13 0.91 -0.10 0.00 -2.27 0.00 0.00 64.05 62.46 1mux n THR 146 Cb 0.92 -1.69 -0.11 0.00 -2.10 0.00 0.00 70.33 67.35 1mux n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mux s ALA 147 N -2.44 0.47 -2.28 6.98 0.00 -1.26 -5.12 121.76 118.10 1mux s ALA 147 Ca 0.00 -0.88 0.30 0.00 0.00 0.00 0.00 51.96 51.38 1mux s ALA 147 Cb 0.00 0.14 1.42 0.00 0.00 0.00 0.00 23.12 24.68 1mux s ALA 147 CO 0.00 -0.17 1.95 1.63 0.00 0.00 0.00 175.76 179.17