#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 6.18 -0.53 0.00 1.01 -1.26 -5.01 116.67 117.07 1mux s ASP 2 Ca 0.00 -1.63 -0.06 0.00 0.71 0.00 0.00 52.55 51.57 1mux s ASP 2 Cb 0.00 -2.23 0.14 0.00 1.01 0.00 0.00 42.92 41.84 1mux s ASP 2 CO 0.00 -0.89 0.37 -1.10 0.21 0.00 0.00 175.17 173.75 1mux s GLN 3 N 1.88 2.45 1.24 8.23 -0.21 -1.26 -5.08 119.66 126.90 1mux s GLN 3 Ca 0.05 -2.08 -0.18 0.00 0.02 0.00 0.00 55.36 53.18 1mux s GLN 3 Cb -0.28 -3.80 0.26 0.00 1.00 0.00 0.00 33.01 30.20 1mux s GLN 3 CO 0.04 -1.16 0.64 1.28 -2.12 0.00 0.00 175.29 173.98 1mux n LEU 4 N 4.29 -1.52 -4.82 2.90 4.77 -1.26 -4.95 117.00 116.41 1mux n LEU 4 Ca 0.00 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.25 1mux n LEU 4 Cb 0.40 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1mux n LEU 4 CO 0.36 -3.64 0.67 0.42 -1.33 0.00 0.00 177.39 173.87 1mux s THR 5 N -2.23 4.36 -0.10 -5.08 -4.23 -1.26 -4.92 115.64 102.18 1mux s THR 5 Ca 0.61 1.34 0.27 0.00 -1.18 0.00 0.00 61.69 62.73 1mux s THR 5 Cb -0.16 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1mux s THR 5 CO 0.59 -0.44 1.81 1.05 -0.54 0.00 0.00 174.62 177.09 1mux h GLU 6 N 1.49 0.00 0.41 3.99 4.11 -1.99 -2.83 114.58 119.77 1mux h GLU 6 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1mux h GLU 6 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1mux h GLU 6 CO 0.61 0.00 -0.20 0.93 0.07 0.00 0.00 179.01 180.42 1mux h GLU 7 N 0.00 -0.53 -0.90 1.06 5.08 -1.99 -1.95 114.58 115.34 1mux h GLU 7 Ca 0.00 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1mux h GLU 7 Cb 0.13 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1mux h GLU 7 CO 0.00 -0.36 0.59 0.37 -1.00 0.00 0.00 179.01 178.61 1mux h GLN 8 N -0.90 1.11 -0.82 2.33 4.15 -1.94 -1.47 115.11 117.56 1mux h GLN 8 Ca -0.06 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.34 1mux h GLN 8 Cb 0.43 -0.25 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 1mux h GLN 8 CO 0.09 0.73 0.54 0.82 -1.93 0.00 0.00 178.83 179.09 1mux h ILE 9 N 1.14 1.11 -0.14 2.39 2.04 -1.56 -1.18 117.51 121.30 1mux h ILE 9 Ca 0.36 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 1mux h ILE 9 Cb -0.00 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1mux h ILE 9 CO -0.12 0.18 -0.42 0.00 0.00 0.00 0.00 178.15 177.79 1mux h ALA 10 N 1.53 1.03 0.13 1.87 0.00 -0.46 -2.66 119.26 120.71 1mux h ALA 10 Ca 0.34 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1mux h ALA 10 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mux h ALA 10 CO -0.11 0.61 -0.06 1.49 0.00 0.00 0.00 179.25 181.18 1mux h GLU 11 N 0.26 -0.17 -0.92 0.00 4.81 -0.62 -2.41 114.58 115.53 1mux h GLU 11 Ca 0.02 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1mux h GLU 11 Cb 0.85 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 1mux h GLU 11 CO 0.07 -0.06 0.61 0.74 -0.73 0.00 0.00 179.01 179.63 1mux h PHE 12 N -0.24 1.12 -0.83 0.92 0.04 -1.43 -1.40 116.94 115.12 1mux h PHE 12 Ca -0.02 0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.89 1mux h PHE 12 Cb 0.19 -0.37 -0.08 0.00 2.20 0.00 0.00 35.95 37.88 1mux h PHE 12 CO -0.05 0.64 0.46 0.87 -0.60 0.00 0.00 178.31 179.63 1mux h LYS 13 N 1.15 0.71 -0.46 1.51 1.79 -1.08 -0.92 116.57 119.27 1mux h LYS 13 Ca 0.37 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1mux h LYS 13 Cb 0.03 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1mux h LYS 13 CO -0.11 0.47 0.26 0.93 -1.08 0.00 0.00 179.45 179.91 1mux h GLU 14 N 0.73 0.63 -0.40 3.15 5.08 -0.81 -0.83 114.58 122.12 1mux h GLU 14 Ca 0.42 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.78 1mux h GLU 14 Cb 0.46 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1mux h GLU 14 CO -0.29 0.49 -0.00 0.00 -1.00 0.00 0.00 179.01 178.21 1mux h ALA 15 N 1.11 0.37 0.00 3.43 0.00 -0.94 0.17 119.26 123.40 1mux h ALA 15 Ca 0.16 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1mux h ALA 15 Cb 0.03 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mux h ALA 15 CO -0.03 -0.39 -0.18 0.35 0.00 0.00 0.00 179.25 179.00 1mux h PHE 16 N 0.10 0.00 0.64 0.00 3.04 -1.05 -2.14 116.94 117.53 1mux h PHE 16 Ca 0.20 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1mux h PHE 16 Cb 0.28 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.80 1mux h PHE 16 CO -0.27 0.18 -0.31 1.03 -2.02 0.00 0.00 178.31 176.92 1mux h SER 17 N 0.00 -0.74 0.43 0.41 0.87 0.81 -1.52 113.55 113.81 1mux h SER 17 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1mux h SER 17 Cb 0.40 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1mux h SER 17 CO 0.02 -0.53 0.00 0.17 -0.53 0.00 0.00 176.83 175.97 1mux h LEU 18 N -0.87 0.00 -0.90 2.23 -0.00 -1.44 -1.58 115.31 112.75 1mux h LEU 18 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.68 1mux h LEU 18 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 1mux h LEU 18 CO 0.14 0.00 -0.46 -0.26 -0.00 0.00 0.00 178.44 177.87 1mux h PHE 19 N 0.00 0.25 -3.16 0.17 -1.00 -0.88 -3.37 116.94 108.95 1mux h PHE 19 Ca 0.00 -0.07 -0.75 0.00 2.81 0.00 0.00 57.97 59.96 1mux h PHE 19 Cb 0.21 -0.05 -0.23 0.00 3.61 0.00 0.00 35.95 39.49 1mux h PHE 19 CO 0.00 0.63 0.00 0.34 -1.61 0.00 0.00 178.31 177.67 1mux s ASP 20 N -6.88 6.34 -0.32 2.17 2.15 -0.59 -4.69 116.67 114.85 1mux s ASP 20 Ca -0.04 -1.91 -0.04 0.00 0.43 0.00 0.00 52.55 50.99 1mux s ASP 20 Cb 0.13 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 1mux s ASP 20 CO 0.77 -0.88 3.02 0.29 -0.17 0.00 0.00 175.17 178.20 1mux n LYS 21 N 5.34 2.28 0.00 4.34 5.02 -1.26 -3.88 118.16 129.99 1mux n LYS 21 Ca -0.04 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 1mux n LYS 21 Cb 0.43 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1mux n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mux n ASP 22 N 1.35 0.00 -1.75 4.39 5.68 -1.26 -5.06 116.55 119.90 1mux n ASP 22 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.74 1mux n ASP 22 Cb 0.66 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.41 0.52 0.08 6.12 0.00 -1.25 -5.01 105.19 105.23 1mux n GLY 23 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.70 2.76 0.00 1.61 5.75 -1.26 -5.03 116.55 118.68 1mux n ASP 24 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1mux n ASP 24 Cb 0.52 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 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 2.74 0.71 3.51 6.12 0.00 -1.26 -5.13 105.19 111.89 1mux n GLY 25 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.42 0.02 -0.24 2.61 -4.23 -1.26 -4.13 115.64 107.99 1mux s THR 26 Ca 0.00 -1.34 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 1mux s THR 26 Cb 0.00 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1mux s THR 26 CO 0.00 -0.08 0.12 -0.63 -0.54 0.00 0.00 174.62 173.49 1mux s ILE 27 N -3.99 4.92 0.00 2.99 1.01 -0.87 -4.93 121.20 120.32 1mux s ILE 27 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1mux s ILE 27 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1mux s ILE 27 CO 0.06 0.34 0.00 0.35 0.00 0.00 0.00 174.94 175.69 1mux n THR 28 N 4.52 0.00 -0.05 2.92 -2.24 -1.26 -2.40 114.28 115.76 1mux n THR 28 Ca -0.15 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 1mux n THR 28 Cb 0.52 -1.35 -0.13 0.00 -2.10 0.00 0.00 70.33 67.27 1mux n THR 28 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mux n THR 29 N -0.51 1.65 -0.17 4.28 -2.24 -1.26 -3.30 114.28 112.74 1mux n THR 29 Ca 0.00 -0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 61.41 1mux n THR 29 Cb 0.00 -1.89 0.06 0.00 -2.10 0.00 0.00 70.33 66.40 1mux n THR 29 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1mux h LYS 30 N -0.49 0.46 -0.10 -0.78 2.10 -1.98 0.20 116.57 115.97 1mux h LYS 30 Ca -0.39 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1mux h LYS 30 Cb 1.66 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.88 1mux h LYS 30 CO -0.07 0.30 0.03 0.93 -2.00 0.00 0.00 179.45 178.64 1mux h GLU 31 N 0.47 0.15 0.00 0.07 5.08 -1.92 -1.35 114.58 117.08 1mux h GLU 31 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1mux h GLU 31 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1mux h GLU 31 CO -0.19 0.29 0.00 1.25 -1.00 0.00 0.00 179.01 179.36 1mux h LEU 32 N -0.02 0.00 -0.00 1.33 5.85 -1.42 -1.98 115.31 119.07 1mux h LEU 32 Ca 0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1mux h LEU 32 Cb 0.20 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.24 1mux h LEU 32 CO -0.00 0.00 -0.40 1.23 -0.34 0.00 0.00 178.44 178.93 1mux h GLY 33 N 0.58 0.30 2.00 3.75 0.00 0.53 -1.68 103.07 108.55 1mux h GLY 33 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1mux h GLY 33 CO 0.00 0.47 -0.01 -0.84 0.00 0.00 0.00 176.54 176.16 1mux h THR 34 N -0.34 0.03 0.07 4.70 2.02 -1.08 -0.62 112.91 117.69 1mux h THR 34 Ca -0.05 -0.59 -0.27 0.00 0.77 0.00 0.00 66.41 66.27 1mux h THR 34 Cb 1.14 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1mux h THR 34 CO 0.08 0.01 -1.36 0.58 0.37 0.00 0.00 175.52 175.20 1mux h VAL 35 N 0.00 1.32 0.00 3.16 2.07 -1.35 -2.27 116.25 119.18 1mux h VAL 35 Ca -0.00 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.52 1mux h VAL 35 Cb 0.57 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1mux h VAL 35 CO 0.00 0.82 -0.77 0.24 0.02 0.00 0.00 177.57 177.89 1mux h MET 36 N 0.04 0.00 0.07 1.57 2.86 -1.11 -2.90 114.93 115.46 1mux h MET 36 Ca -0.17 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.13 1mux h MET 36 Cb 1.94 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.57 1mux h MET 36 CO 0.15 0.00 -1.92 -2.13 1.06 0.00 0.00 176.91 174.07 1mux n ARG 37 N -2.54 0.71 0.03 1.72 3.00 -0.26 -1.60 116.66 117.72 1mux n ARG 37 Ca 0.01 0.26 -0.20 0.00 -0.00 0.00 0.00 57.85 57.93 1mux n ARG 37 Cb 0.51 -1.73 -0.14 0.00 0.00 0.00 0.00 32.46 31.10 1mux n ARG 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1mux h SER 38 N 0.04 0.40 0.20 6.15 0.02 -1.55 -3.37 113.55 115.44 1mux h SER 38 Ca -0.38 -0.94 -0.35 0.00 -0.84 0.00 0.00 61.79 59.28 1mux h SER 38 Cb 2.03 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 64.40 1mux h SER 38 CO 0.08 1.38 -2.02 0.18 -1.14 0.00 0.00 176.83 175.31 1mux n LEU 39 N -4.15 2.00 0.00 5.07 4.77 -1.10 -4.83 117.00 118.76 1mux n LEU 39 Ca -0.15 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1mux n LEU 39 Cb 0.80 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1mux n LEU 39 CO 0.46 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 1mux n GLY 40 N 1.90 -0.78 1.94 -0.72 0.00 -0.63 -5.02 105.19 101.87 1mux n GLY 40 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1mux n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mux n GLN 41 N 0.00 0.00 -2.68 1.61 7.27 -0.95 -4.93 117.38 117.69 1mux n GLN 41 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1mux n GLN 41 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1mux n ASN 42 N -2.46 -1.74 -2.80 1.69 5.15 -1.26 -4.85 115.26 109.00 1mux n ASN 42 Ca 0.00 -2.29 0.00 0.00 -0.60 0.00 0.00 54.58 51.69 1mux n ASN 42 Cb 0.00 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 1mux n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mux n PRO 43 N -0.60 -0.16 -4.20 1.20 -0.04 -1.26 -5.09 135.00 124.85 1mux n PRO 43 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 1mux n PRO 43 Cb 0.81 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.18 1mux n PRO 43 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mux s THR 44 N -0.63 0.00 0.30 0.52 -1.32 -1.26 -4.97 115.64 108.28 1mux s THR 44 Ca 0.00 -1.93 0.22 0.00 -1.21 0.00 0.00 61.69 58.77 1mux s THR 44 Cb 0.00 -2.49 0.21 0.00 -1.51 0.00 0.00 72.50 68.72 1mux s THR 44 CO 0.00 0.00 1.91 -0.33 -2.21 0.00 0.00 174.62 173.99 1mux h GLU 45 N 2.43 0.00 0.13 7.08 5.08 -1.97 -1.76 114.58 125.57 1mux h GLU 45 Ca -0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1mux h GLU 45 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1mux h GLU 45 CO 0.46 0.24 -0.06 0.00 -1.00 0.00 0.00 179.01 178.64 1mux h ALA 46 N 1.76 -0.35 -0.25 3.43 0.00 -2.00 -2.57 119.26 119.28 1mux h ALA 46 Ca -0.00 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1mux h ALA 46 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1mux h ALA 46 CO 0.03 -0.34 0.41 1.49 0.00 0.00 0.00 179.25 180.84 1mux h GLU 47 N -0.49 0.00 0.37 0.00 4.57 -1.97 -1.03 114.58 116.03 1mux h GLU 47 Ca -0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1mux h GLU 47 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1mux h GLU 47 CO 0.03 0.00 -0.18 1.25 -1.18 0.00 0.00 179.01 178.93 1mux h LEU 48 N 0.00 -0.42 -0.85 1.64 6.46 -1.30 -1.43 115.31 119.41 1mux h LEU 48 Ca 0.12 -0.14 0.21 0.00 -0.12 0.00 0.00 57.88 57.95 1mux h LEU 48 Cb 0.94 0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.85 1mux h LEU 48 CO -0.00 -0.01 0.29 -0.61 -0.62 0.00 0.00 178.44 177.49 1mux h GLN 49 N -0.93 0.31 -0.80 1.25 4.15 -0.77 0.50 115.11 118.81 1mux h GLN 49 Ca -0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 1mux h GLN 49 Cb 0.54 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 1mux h GLN 49 CO 0.08 0.20 0.34 -0.44 -1.93 0.00 0.00 178.83 177.08 1mux h ASP 50 N 0.32 1.09 0.54 -0.69 3.32 -1.42 -0.87 116.42 118.70 1mux h ASP 50 Ca 0.52 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1mux h ASP 50 Cb 0.97 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1mux h ASP 50 CO -0.56 0.95 0.00 -0.03 -1.72 0.00 0.00 179.24 177.89 1mux h MET 51 N 1.16 0.00 0.00 3.56 4.05 0.11 -1.86 114.93 121.95 1mux h MET 51 Ca 0.27 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.55 1mux h MET 51 Cb 0.19 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1mux h MET 51 CO -0.03 0.00 -1.33 0.82 0.23 0.00 0.00 176.91 176.61 1mux h ILE 52 N 0.00 0.44 -0.42 1.77 2.04 0.20 -3.35 117.51 118.19 1mux h ILE 52 Ca 0.00 -1.86 -0.08 0.00 1.00 0.00 0.00 64.86 63.92 1mux h ILE 52 Cb 0.27 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1mux h ILE 52 CO 0.00 0.25 -0.09 0.78 0.00 0.00 0.00 178.15 179.09 1mux h ASN 53 N 0.00 0.71 -0.20 1.72 2.35 -0.54 -1.19 115.58 118.44 1mux h ASN 53 Ca -0.14 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.30 1mux h ASN 53 Cb 1.50 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 1mux h ASN 53 CO 0.04 0.84 -0.28 1.05 -1.65 0.00 0.00 177.43 177.43 1mux h GLU 54 N 0.67 0.69 0.04 0.81 4.11 -1.68 -3.35 114.58 115.87 1mux h GLU 54 Ca 0.12 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 1mux h GLU 54 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1mux h GLU 54 CO 0.03 0.89 -0.02 0.28 0.07 0.00 0.00 179.01 180.26 1mux h VAL 55 N 0.59 0.00 -0.36 -1.06 2.07 -1.63 -3.43 116.25 112.44 1mux h VAL 55 Ca 0.07 -0.17 -0.64 0.00 0.82 0.00 0.00 66.70 66.79 1mux h VAL 55 Cb 0.77 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1mux h VAL 55 CO 0.06 0.00 1.51 -0.67 0.02 0.00 0.00 177.57 178.49 1mux n ASP 56 N -2.60 1.01 -1.65 0.57 -0.08 -0.47 -4.77 116.55 108.56 1mux n ASP 56 Ca -0.01 0.36 -0.15 0.00 -1.51 0.00 0.00 54.79 53.48 1mux n ASP 56 Cb 0.02 -1.04 0.15 0.00 2.34 0.00 0.00 41.12 42.59 1mux n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mux n ALA 57 N 9.66 4.96 0.00 -1.67 0.00 -1.26 -4.56 120.51 127.65 1mux n ALA 57 Ca 0.54 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1mux n ALA 57 Cb 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.03 3.25 0.00 0.00 5.68 -1.26 -5.07 116.55 118.12 1mux n ASP 58 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 1mux n ASP 58 Cb 1.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.04 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 3.19 0.75 0.00 6.12 0.00 -1.26 -5.04 105.19 108.95 1mux n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mux n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mux n ASN 60 N 0.00 4.32 0.00 1.61 6.94 -1.26 -5.08 115.26 121.78 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 0.00 0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1mux n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 61 N 2.54 2.19 3.93 4.83 0.00 -1.26 -5.08 105.19 112.36 1mux n GLY 61 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 2.30 0.41 2.61 -4.23 -1.26 -4.93 115.64 110.54 1mux s THR 62 Ca 0.00 -0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1mux s THR 62 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1mux s THR 62 CO 0.00 0.00 0.68 -0.63 -0.54 0.00 0.00 174.62 174.13 1mux s ILE 63 N -3.21 4.98 0.52 2.99 1.01 -1.01 -4.89 121.20 121.59 1mux s ILE 63 Ca 0.60 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.25 1mux s ILE 63 Cb -0.11 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1mux s ILE 63 CO 0.44 -0.69 0.18 -0.67 0.00 0.00 0.00 174.94 174.20 1mux n ASP 64 N -1.93 3.09 0.01 3.58 2.03 -1.26 -2.06 116.55 120.00 1mux n ASP 64 Ca -0.01 -3.04 -0.18 0.00 0.52 0.00 0.00 54.79 52.08 1mux n ASP 64 Cb 0.55 0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 41.03 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1mux h PHE 65 N 0.99 0.86 0.00 -0.67 3.04 -1.99 -2.83 116.94 116.34 1mux h PHE 65 Ca -0.38 -0.43 0.00 0.00 3.98 0.00 0.00 57.97 61.13 1mux h PHE 65 Cb 1.25 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.65 1mux h PHE 65 CO 0.00 1.25 0.00 -1.00 -2.02 0.00 0.00 178.31 176.54 1mux h PRO 66 N 0.22 0.00 0.15 6.41 0.13 -1.97 -2.75 132.00 134.20 1mux h PRO 66 Ca -0.08 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.72 1mux h PRO 66 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1mux h PRO 66 CO 0.15 0.00 -1.62 0.93 -0.23 0.00 0.00 178.00 177.23 1mux h GLU 67 N 0.00 0.32 -0.13 0.86 5.08 -1.95 -2.12 114.58 116.63 1mux h GLU 67 Ca 0.00 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1mux h GLU 67 Cb 0.51 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1mux h GLU 67 CO 0.00 1.20 0.05 0.35 -1.00 0.00 0.00 179.01 179.61 1mux h PHE 68 N 0.09 0.20 -0.07 4.33 3.57 -1.32 -0.35 116.94 123.39 1mux h PHE 68 Ca -0.29 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 60.98 1mux h PHE 68 Cb 2.06 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.74 1mux h PHE 68 CO 0.08 0.31 -0.84 1.25 -2.23 0.00 0.00 178.31 176.88 1mux h LEU 69 N 0.04 0.66 -0.02 0.59 5.85 -1.63 -2.83 115.31 117.98 1mux h LEU 69 Ca 0.04 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1mux h LEU 69 Cb 0.20 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1mux h LEU 69 CO -0.00 1.25 0.00 0.41 -0.34 0.00 0.00 178.44 179.76 1mux n THR 70 N -3.84 0.54 -0.11 1.05 -1.04 -0.80 -1.76 114.28 108.33 1mux n THR 70 Ca -0.06 0.13 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 1mux n THR 70 Cb 0.77 -0.77 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1mux n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1mux n MET 71 N -1.53 0.57 -0.05 -2.82 0.00 -0.15 -4.19 117.12 108.95 1mux n MET 71 Ca 0.05 0.53 -0.03 0.00 -0.00 0.00 0.00 57.70 58.24 1mux n MET 71 Cb 0.25 -1.71 -0.01 0.00 0.00 0.00 0.00 33.22 31.75 1mux n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1mux n MET 72 N -4.39 0.30 0.14 2.12 2.81 -1.08 -4.32 117.12 112.69 1mux n MET 72 Ca -0.36 0.38 0.08 0.00 -1.81 0.00 0.00 57.70 55.99 1mux n MET 72 Cb 0.72 -1.31 0.43 0.00 -0.71 0.00 0.00 33.22 32.35 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 -3.24 0.87 -2.42 3.04 0.00 -0.72 -2.52 120.51 115.52 1mux n ALA 73 Ca -0.05 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 1mux n ALA 73 Cb 0.20 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1mux n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mux n ARG 74 N -2.07 3.55 -3.51 0.00 0.63 -1.04 -4.98 116.66 109.24 1mux n ARG 74 Ca -0.01 -4.30 -0.38 0.00 -0.92 0.00 0.00 57.85 52.24 1mux n ARG 74 Cb 0.14 -2.29 -0.06 0.00 0.45 0.00 0.00 32.46 30.69 1mux n ARG 74 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1mux s LYS 75 N -3.84 3.94 0.34 -0.14 2.20 -1.05 -4.84 119.74 116.34 1mux s LYS 75 Ca 0.48 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 56.46 1mux s LYS 75 Cb 0.35 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1mux s LYS 75 CO -0.24 0.64 0.42 0.00 -0.36 0.00 0.00 175.35 175.80 1mux n MET 76 N 2.05 0.61 -3.65 4.03 0.00 -1.26 -5.17 117.12 113.74 1mux n MET 76 Ca -0.14 -2.88 -0.07 0.00 0.00 0.00 0.00 57.70 54.62 1mux n MET 76 Cb 0.52 2.64 -0.07 0.00 0.00 0.00 0.00 33.22 36.32 1mux n MET 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1mux s LYS 77 N -2.93 0.67 -0.08 3.17 2.20 -1.26 -5.04 119.74 116.46 1mux s LYS 77 Ca 0.31 1.22 0.12 0.00 -0.36 0.00 0.00 55.97 57.26 1mux s LYS 77 Cb -0.00 0.20 0.23 0.00 -1.51 0.00 0.00 37.83 36.75 1mux s LYS 77 CO 0.22 -0.16 1.14 -0.25 -0.36 0.00 0.00 175.35 175.95 1mux n ASP 78 N 4.44 2.47 -4.57 1.43 8.00 -1.26 -4.91 116.55 122.15 1mux n ASP 78 Ca -0.19 -2.63 -0.39 0.00 0.71 0.00 0.00 54.79 52.28 1mux n ASP 78 Cb 0.58 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 1mux n ASP 78 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1mux s THR 79 N -2.10 3.93 -0.11 -3.53 -4.23 -1.26 -4.86 115.64 103.49 1mux s THR 79 Ca 0.22 -1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 59.16 1mux s THR 79 Cb 0.18 -4.98 0.12 0.00 1.34 0.00 0.00 72.50 69.16 1mux s THR 79 CO 0.04 -1.80 0.96 -0.62 -0.54 0.00 0.00 174.62 172.66 1mux s ASP 80 N 5.05 -0.36 0.95 3.99 2.15 -1.26 -5.17 116.67 122.02 1mux s ASP 80 Ca 0.54 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.78 1mux s ASP 80 Cb 0.01 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1mux s ASP 80 CO 0.01 -0.43 0.00 -1.20 -0.17 0.00 0.00 175.17 173.38 1mux n SER 81 N 0.38 -0.75 -2.87 -0.34 7.64 -1.26 -5.01 113.62 111.41 1mux n SER 81 Ca -0.09 -0.57 -0.18 0.00 1.01 0.00 0.00 58.87 59.03 1mux n SER 81 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1mux n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mux n GLU 82 N -1.33 1.86 -0.40 1.43 1.02 -1.26 -4.79 120.64 117.17 1mux n GLU 82 Ca 0.00 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.33 1mux n GLU 82 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1mux n GLU 82 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1mux n GLU 83 N -0.05 0.00 0.22 3.49 2.13 -1.26 -4.90 120.64 120.28 1mux n GLU 83 Ca 0.24 -0.42 0.14 0.00 0.66 0.00 0.00 57.16 57.77 1mux n GLU 83 Cb 0.66 -0.24 0.78 0.00 0.27 0.00 0.00 31.44 32.91 1mux n GLU 83 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1mux h GLU 84 N 0.00 0.00 -1.00 5.31 4.39 -2.02 -1.84 114.58 119.43 1mux h GLU 84 Ca 0.00 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.87 1mux h GLU 84 Cb 1.15 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.70 1mux h GLU 84 CO 0.00 0.00 0.61 0.82 -1.16 0.00 0.00 179.01 179.28 1mux h ILE 85 N 0.00 0.77 -0.29 3.13 2.04 -1.99 -1.18 117.51 119.99 1mux h ILE 85 Ca 0.06 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1mux h ILE 85 Cb 0.27 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 1mux h ILE 85 CO -0.00 0.15 -0.02 -0.09 0.00 0.00 0.00 178.15 178.19 1mux h ARG 86 N 0.84 0.06 -0.51 2.37 2.43 -1.74 -1.70 114.38 116.12 1mux h ARG 86 Ca 0.55 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.65 1mux h ARG 86 Cb 0.76 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1mux h ARG 86 CO -0.35 0.04 0.06 0.93 -1.51 0.00 0.00 179.97 179.14 1mux h GLU 87 N 0.06 0.82 0.00 0.20 5.08 -1.39 -2.03 114.58 117.32 1mux h GLU 87 Ca 0.14 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1mux h GLU 87 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1mux h GLU 87 CO -0.25 0.79 -0.06 0.00 -1.00 0.00 0.00 179.01 178.48 1mux h ALA 88 N 1.29 1.15 0.19 3.43 0.00 -0.60 -2.10 119.26 122.62 1mux h ALA 88 Ca 0.16 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 1mux h ALA 88 Cb 0.39 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1mux h ALA 88 CO 0.01 0.08 -1.61 0.35 0.00 0.00 0.00 179.25 178.07 1mux h PHE 89 N 0.00 0.73 -0.05 0.00 3.57 -0.62 -2.60 116.94 117.97 1mux h PHE 89 Ca -0.00 -0.53 -0.12 0.00 3.53 0.00 0.00 57.97 60.84 1mux h PHE 89 Cb 0.29 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1mux h PHE 89 CO 0.00 1.57 -0.53 -0.09 -2.23 0.00 0.00 178.31 177.04 1mux h ARG 90 N 0.11 0.13 0.18 1.11 2.43 -1.16 -2.28 114.38 114.91 1mux h ARG 90 Ca -0.29 -0.08 -0.31 0.00 -0.81 0.00 0.00 59.98 58.49 1mux h ARG 90 Cb 2.10 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 31.67 1mux h ARG 90 CO 0.20 0.63 -1.49 -0.39 -1.51 0.00 0.00 179.97 177.41 1mux h VAL 91 N 0.10 1.11 0.00 0.20 -1.51 -1.50 -3.31 116.25 111.35 1mux h VAL 91 Ca 0.00 -2.53 -0.03 0.00 -1.23 0.00 0.00 66.70 62.91 1mux h VAL 91 Cb 0.96 2.88 -0.00 0.00 -2.13 0.00 0.00 31.29 33.00 1mux h VAL 91 CO 0.08 0.80 -0.13 -0.26 -1.23 0.00 0.00 177.57 176.82 1mux h PHE 92 N -0.04 0.00 -3.38 5.19 -1.00 -1.50 -3.32 116.94 112.89 1mux h PHE 92 Ca -0.29 0.00 -0.72 0.00 2.81 0.00 0.00 57.97 59.77 1mux h PHE 92 Cb 1.99 0.00 -0.34 0.00 3.61 0.00 0.00 35.95 41.21 1mux h PHE 92 CO 0.13 0.13 -0.01 0.34 -1.61 0.00 0.00 178.31 177.29 1mux s ASP 93 N -6.04 6.21 0.00 2.17 -1.08 -0.86 -4.48 116.67 112.60 1mux s ASP 93 Ca -0.01 -3.64 0.24 0.00 -0.52 0.00 0.00 52.55 48.62 1mux s ASP 93 Cb 0.11 -1.96 0.45 0.00 -1.46 0.00 0.00 42.92 40.06 1mux s ASP 93 CO 0.59 -0.22 1.41 0.29 0.52 0.00 0.00 175.17 177.75 1mux n LYS 94 N 2.48 2.20 0.10 4.34 5.02 -1.25 -4.15 118.16 126.90 1mux n LYS 94 Ca 0.21 -1.77 -0.02 0.00 -2.02 0.00 0.00 58.31 54.71 1mux n LYS 94 Cb 0.38 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1mux n LYS 94 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1mux h ASP 95 N 4.02 0.00 -0.38 4.39 3.04 -1.94 -3.48 116.42 122.07 1mux h ASP 95 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1mux h ASP 95 Cb 0.86 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 1mux h ASP 95 CO 0.00 0.75 0.00 0.61 -2.04 0.00 0.00 179.24 178.56 1mux n GLY 96 N 1.21 0.78 0.00 7.15 0.00 -1.26 -5.02 105.19 108.06 1mux n GLY 96 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.12 1.22 0.00 1.61 6.94 -1.26 -5.01 115.26 118.88 1mux n ASN 97 Ca 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.40 1mux n ASN 97 Cb 0.13 0.57 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mux n GLY 98 N 0.94 1.49 3.40 4.83 0.00 -1.26 -5.03 105.19 109.56 1mux n GLY 98 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1mux n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mux s TYR 99 N -2.92 2.56 -0.34 1.61 2.02 -1.26 -4.61 117.35 114.42 1mux s TYR 99 Ca 0.00 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.17 1mux s TYR 99 Cb 0.00 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1mux s TYR 99 CO 0.00 0.05 0.60 0.42 -1.57 0.00 0.00 175.55 175.06 1mux s ILE 100 N -0.58 4.94 0.47 2.71 1.01 -0.99 -4.83 121.20 123.92 1mux s ILE 100 Ca 0.08 0.63 0.09 0.00 0.00 0.00 0.00 60.65 61.45 1mux s ILE 100 Cb -0.11 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1mux s ILE 100 CO 0.01 -0.23 0.64 -0.55 0.00 0.00 0.00 174.94 174.81 1mux s SER 101 N 1.73 5.49 0.10 3.58 0.15 -1.26 -2.62 113.70 120.88 1mux s SER 101 Ca 0.23 -0.55 -0.14 0.00 0.70 0.00 0.00 55.95 56.19 1mux s SER 101 Cb -0.15 -0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 63.70 1mux s SER 101 CO 0.13 -0.94 1.39 0.00 1.20 0.00 0.00 173.24 175.03 1mux h ALA 102 N 0.50 0.41 0.04 5.45 0.00 -1.94 -2.72 119.26 121.01 1mux h ALA 102 Ca -0.37 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.12 1mux h ALA 102 Cb 1.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1mux h ALA 102 CO 0.44 0.51 -0.23 0.00 0.00 0.00 0.00 179.25 179.97 1mux h ALA 103 N 0.67 -0.34 -0.18 0.00 0.00 -1.99 -1.68 119.26 115.75 1mux h ALA 103 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1mux h ALA 103 Cb 0.99 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1mux h ALA 103 CO 0.09 -0.74 -0.03 0.93 0.00 0.00 0.00 179.25 179.50 1mux h GLU 104 N -0.39 0.02 -0.94 0.00 5.08 -1.88 -0.92 114.58 115.54 1mux h GLU 104 Ca 0.05 -0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.63 1mux h GLU 104 Cb 0.45 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1mux h GLU 104 CO -0.18 0.01 0.63 1.25 -1.00 0.00 0.00 179.01 179.72 1mux h LEU 105 N 0.02 0.37 -0.49 1.33 6.46 -1.12 0.18 115.31 122.05 1mux h LEU 105 Ca 0.08 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1mux h LEU 105 Cb 0.12 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1mux h LEU 105 CO -0.17 0.13 -0.05 -0.09 -0.62 0.00 0.00 178.44 177.64 1mux h ARG 106 N 0.36 0.90 0.00 1.25 2.43 -0.24 -2.21 114.38 116.87 1mux h ARG 106 Ca 0.50 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1mux h ARG 106 Cb 1.33 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1mux h ARG 106 CO -0.18 0.96 0.00 0.72 -1.51 0.00 0.00 179.97 179.95 1mux n HIS 107 N -4.28 0.01 -0.09 2.20 8.25 0.49 -2.34 115.22 119.46 1mux n HIS 107 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 1mux n HIS 107 Cb 0.35 -0.51 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1mux h VAL 108 N 0.00 0.95 0.32 1.59 2.07 -0.59 -3.27 116.25 117.32 1mux h VAL 108 Ca 0.00 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 1mux h VAL 108 Cb 0.39 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1mux h VAL 108 CO 0.00 0.32 -0.15 0.24 0.02 0.00 0.00 177.57 178.00 1mux h MET 109 N -1.00 -0.42 -1.15 1.57 2.86 -1.51 -2.36 114.93 112.92 1mux h MET 109 Ca -0.19 0.03 0.33 0.00 -2.06 0.00 0.00 59.70 57.81 1mux h MET 109 Cb 1.02 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.67 1mux h MET 109 CO -0.11 -0.28 0.75 1.15 1.06 0.00 0.00 176.91 179.48 1mux h THR 110 N -1.07 0.38 -0.07 2.22 2.02 -1.58 0.82 112.91 115.62 1mux h THR 110 Ca -0.04 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1mux h THR 110 Cb 0.33 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1mux h THR 110 CO 0.07 0.05 -0.40 0.78 0.37 0.00 0.00 175.52 176.39 1mux h ASN 111 N 0.25 0.46 -0.38 4.18 4.21 -1.60 -3.29 115.58 119.41 1mux h ASN 111 Ca 0.67 -0.66 0.08 0.00 1.21 0.00 0.00 56.30 57.59 1mux h ASN 111 Cb 1.94 -0.14 -0.09 0.00 -1.12 0.00 0.00 38.32 38.91 1mux h ASN 111 CO -0.30 1.06 -0.22 -0.07 -1.29 0.00 0.00 177.43 176.60 1mux h LEU 112 N -0.09 -0.73 0.00 1.61 3.38 -0.28 -3.46 115.31 115.74 1mux h LEU 112 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1mux h LEU 112 Cb 1.06 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1mux h LEU 112 CO 0.08 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1mux n GLY 113 N -1.38 2.15 3.73 0.83 0.00 -1.01 -5.12 105.19 104.39 1mux n GLY 113 Ca 0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1mux n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mux n GLU 114 N 0.00 2.39 -3.52 1.61 1.02 -1.25 -4.93 120.64 115.96 1mux n GLU 114 Ca 0.00 0.84 -0.39 0.00 -0.02 0.00 0.00 57.16 57.59 1mux n GLU 114 Cb 0.00 -2.50 -0.04 0.00 -0.02 0.00 0.00 31.44 28.88 1mux n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mux n LYS 115 N 0.66 3.00 -2.02 3.49 5.02 -1.26 -3.93 118.16 123.12 1mux n LYS 115 Ca 0.04 -4.48 -0.25 0.00 -2.02 0.00 0.00 58.31 51.60 1mux n LYS 115 Cb 0.37 -2.46 0.16 0.00 -0.02 0.00 0.00 35.03 33.08 1mux n LYS 115 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1mux n LEU 116 N 2.37 0.00 -4.72 -0.35 4.32 -1.26 -5.09 117.00 112.27 1mux n LEU 116 Ca 0.23 -1.59 -0.27 0.00 -0.02 0.00 0.00 56.01 54.36 1mux n LEU 116 Cb 0.38 -0.82 -0.07 0.00 -1.62 0.00 0.00 43.42 41.29 1mux n LEU 116 CO 0.41 -1.23 -0.29 -0.89 -1.22 0.00 0.00 177.39 174.18 1mux s THR 117 N -3.40 4.08 0.28 -5.08 2.01 -1.26 -5.01 115.64 107.27 1mux s THR 117 Ca 0.67 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1mux s THR 117 Cb -0.02 -3.04 0.27 0.00 0.01 0.00 0.00 72.50 69.71 1mux s THR 117 CO 0.46 -0.06 1.80 0.44 -0.69 0.00 0.00 174.62 176.56 1mux h ASP 118 N 2.74 0.76 -0.87 3.53 5.19 -2.01 -0.62 116.42 125.13 1mux h ASP 118 Ca -0.47 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.04 1mux h ASP 118 Cb 1.19 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.59 1mux h ASP 118 CO 0.60 0.35 0.57 -0.33 -3.12 0.00 0.00 179.24 177.31 1mux h GLU 119 N 0.81 1.09 0.38 3.56 5.08 -1.99 -2.32 114.58 121.18 1mux h GLU 119 Ca 0.51 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1mux h GLU 119 Cb 0.65 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1mux h GLU 119 CO -0.33 0.72 -0.37 0.93 -1.00 0.00 0.00 179.01 178.97 1mux h GLU 120 N 1.12 -0.74 -0.39 2.33 4.39 -1.51 -1.27 114.58 118.52 1mux h GLU 120 Ca 0.34 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.16 1mux h GLU 120 Cb -0.03 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1mux h GLU 120 CO -0.10 -0.49 0.05 0.28 -1.16 0.00 0.00 179.01 177.58 1mux h VAL 121 N -0.76 0.76 -0.59 3.13 2.07 -1.39 -0.23 116.25 119.23 1mux h VAL 121 Ca -0.03 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1mux h VAL 121 Cb 0.68 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1mux h VAL 121 CO -0.06 0.03 0.40 -0.78 0.02 0.00 0.00 177.57 177.18 1mux h ASP 122 N 0.16 0.34 0.84 0.57 1.82 -1.14 0.47 116.42 119.47 1mux h ASP 122 Ca 0.19 0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.71 1mux h ASP 122 Cb 0.25 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1mux h ASP 122 CO -0.28 0.20 -0.60 -0.08 -1.61 0.00 0.00 179.24 176.87 1mux h GLU 123 N 0.37 0.00 0.14 0.28 4.81 0.14 -2.46 114.58 117.86 1mux h GLU 123 Ca 0.27 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1mux h GLU 123 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1mux h GLU 123 CO -0.07 0.60 -0.07 0.52 -0.73 0.00 0.00 179.01 179.27 1mux h MET 124 N 0.00 -0.18 -0.19 1.92 2.86 0.01 -2.57 114.93 116.78 1mux h MET 124 Ca -0.01 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1mux h MET 124 Cb 1.19 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1mux h MET 124 CO 0.08 0.28 0.04 0.82 1.06 0.00 0.00 176.91 179.19 1mux h ILE 125 N -0.77 1.10 0.30 -1.22 1.08 -1.46 -1.95 117.51 114.59 1mux h ILE 125 Ca -0.02 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1mux h ILE 125 Cb 0.54 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1mux h ILE 125 CO 0.03 0.12 -0.15 -0.09 -0.69 0.00 0.00 178.15 177.37 1mux h ARG 126 N 0.26 -0.39 -0.24 2.37 2.43 -1.42 -1.86 114.38 115.52 1mux h ARG 126 Ca 0.07 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1mux h ARG 126 Cb 0.11 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1mux h ARG 126 CO -0.00 -0.11 0.13 0.93 -1.51 0.00 0.00 179.97 179.40 1mux h GLU 127 N -0.65 0.32 0.00 0.20 4.39 -1.24 -1.25 114.58 116.35 1mux h GLU 127 Ca -0.04 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1mux h GLU 127 Cb 0.46 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1mux h GLU 127 CO 0.07 0.24 -0.39 0.00 -1.16 0.00 0.00 179.01 177.77 1mux h ALA 128 N 1.81 1.12 -0.69 3.43 0.00 -1.16 -3.39 119.26 120.39 1mux h ALA 128 Ca 0.09 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.32 1mux h ALA 128 Cb 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1mux h ALA 128 CO -0.01 0.49 0.85 -0.51 0.00 0.00 0.00 179.25 180.07 1mux s ASP 129 N -6.61 5.20 0.14 0.00 1.11 -0.47 -4.77 116.67 111.26 1mux s ASP 129 Ca -0.01 -0.93 -0.14 0.00 0.18 0.00 0.00 52.55 51.65 1mux s ASP 129 Cb 0.12 -2.57 -0.00 0.00 1.07 0.00 0.00 42.92 41.55 1mux s ASP 129 CO 0.70 -2.74 1.59 0.40 1.18 0.00 0.00 175.17 176.31 1mux h ILE 130 N 7.01 1.26 0.17 0.77 2.04 -1.83 -3.22 117.51 123.70 1mux h ILE 130 Ca 0.13 -1.00 -0.25 0.00 1.00 0.00 0.00 64.86 64.74 1mux h ILE 130 Cb 0.99 1.03 0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1mux h ILE 130 CO 1.23 0.34 -1.08 -2.24 0.00 0.00 0.00 178.15 176.40 1mux h ASP 131 N 0.62 0.66 0.00 1.72 2.03 -1.97 -3.49 116.42 115.98 1mux h ASP 131 Ca 0.13 -0.91 0.00 0.00 -0.73 0.00 0.00 57.03 55.52 1mux h ASP 131 Cb 0.46 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 1mux h ASP 131 CO 0.02 1.52 0.00 0.61 -1.03 0.00 0.00 179.24 180.36 1mux n GLY 132 N 1.60 0.36 1.30 7.15 0.00 -1.22 -5.09 105.19 109.30 1mux n GLY 132 Ca -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1mux n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 133 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.07 116.55 117.58 1mux n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1mux n ASP 133 Cb 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 134 N 0.31 0.52 3.64 6.12 0.00 -1.26 -5.15 105.19 109.37 1mux n GLY 134 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.39 -0.37 1.61 -2.07 -1.26 -4.83 119.66 113.14 1mux s GLN 135 Ca 0.00 0.55 -0.14 0.00 -1.82 0.00 0.00 55.36 53.95 1mux s GLN 135 Cb 0.00 0.15 -0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1mux s GLN 135 CO 0.00 -0.06 0.26 0.08 -1.32 0.00 0.00 175.29 174.25 1mux s VAL 136 N 0.66 5.26 0.00 3.63 1.01 -1.08 -4.84 120.40 125.05 1mux s VAL 136 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1mux s VAL 136 Cb -0.04 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1mux s VAL 136 CO -0.11 -0.14 0.00 -0.46 0.00 0.00 0.00 175.10 174.40 1mux n ASN 137 N 5.13 0.00 -0.04 3.32 0.23 -1.26 -2.35 115.26 120.29 1mux n ASN 137 Ca -0.12 -0.99 -0.11 0.00 -0.53 0.00 0.00 54.58 52.84 1mux n ASN 137 Cb 0.49 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.14 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1mux h TYR 138 N -0.53 0.24 0.28 -2.53 5.03 -1.98 -1.64 116.97 115.85 1mux h TYR 138 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1mux h TYR 138 Cb 0.00 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1mux h TYR 138 CO 0.00 0.27 -0.32 1.49 -1.32 0.00 0.00 178.16 178.28 1mux h GLU 139 N 0.15 -0.62 0.00 1.82 4.81 -1.99 -1.14 114.58 117.60 1mux h GLU 139 Ca 0.06 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1mux h GLU 139 Cb 0.12 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1mux h GLU 139 CO -0.01 -0.42 -0.02 0.93 -0.73 0.00 0.00 179.01 178.77 1mux h GLU 140 N -0.65 0.00 0.00 1.92 5.08 -1.88 -1.13 114.58 117.93 1mux h GLU 140 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1mux h GLU 140 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1mux h GLU 140 CO -0.08 0.02 -0.65 0.35 -1.00 0.00 0.00 179.01 177.65 1mux h PHE 141 N 0.00 0.00 0.00 4.33 3.57 -0.26 -2.66 116.94 121.93 1mux h PHE 141 Ca -0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1mux h PHE 141 Cb 0.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1mux h PHE 141 CO 0.00 0.65 -1.32 0.28 -2.23 0.00 0.00 178.31 175.69 1mux n VAL 142 N -3.27 1.03 0.06 1.41 0.31 -0.53 -3.85 118.33 113.49 1mux n VAL 142 Ca 0.01 -0.65 -0.22 0.00 -0.01 0.00 0.00 64.34 63.47 1mux n VAL 142 Cb 0.79 -0.62 -0.15 0.00 -0.91 0.00 0.00 33.84 32.95 1mux n VAL 142 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1mux h GLN 143 N 0.00 0.35 -0.90 5.55 4.20 -1.34 -1.74 115.11 121.23 1mux h GLN 143 Ca -0.12 -0.61 0.01 0.00 0.06 0.00 0.00 58.65 58.00 1mux h GLN 143 Cb 1.43 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 29.39 1mux h GLN 143 CO 0.03 1.29 0.60 0.00 -0.67 0.00 0.00 178.83 180.08 1mux h MET 144 N -0.13 1.17 -0.00 1.46 -0.00 -1.65 -1.74 114.93 114.04 1mux h MET 144 Ca -0.27 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 59.36 1mux h MET 144 Cb 1.90 -0.26 0.00 0.00 -0.00 0.00 0.00 31.60 33.24 1mux h MET 144 CO 0.15 0.77 -0.53 -0.12 -0.00 0.00 0.00 176.91 177.19 1mux n MET 145 N -4.41 0.12 -3.46 -0.10 0.00 -1.25 -4.69 117.12 103.33 1mux n MET 145 Ca 0.11 -0.07 -0.25 0.00 -0.00 0.00 0.00 57.70 57.48 1mux n MET 145 Cb 0.04 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.64 1mux n MET 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1mux s THR 146 N -2.93 -0.09 0.08 1.12 2.01 -0.65 -5.09 115.64 110.10 1mux s THR 146 Ca 0.12 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1mux s THR 146 Cb 0.18 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.72 1mux s THR 146 CO 0.70 -0.77 0.08 0.00 -0.69 0.00 0.00 174.62 173.94 1mux n ALA 147 N 4.63 0.15 -1.62 7.40 0.00 -1.20 -4.29 120.51 125.57 1mux n ALA 147 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1mux n ALA 147 Cb 0.41 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1mux n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67