#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 7.07 -0.01 0.00 1.11 -1.26 -4.90 116.67 118.68 1mux s ASP 2 Ca 0.00 1.95 0.15 0.00 0.18 0.00 0.00 52.55 54.83 1mux s ASP 2 Cb 0.00 -2.57 -0.18 0.00 1.07 0.00 0.00 42.92 41.24 1mux s ASP 2 CO 0.00 -0.51 0.54 0.00 1.18 0.00 0.00 175.17 176.38 1mux n GLN 3 N 4.38 1.67 -1.08 8.23 6.02 -1.26 -4.43 117.38 130.91 1mux n GLN 3 Ca 0.10 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 1mux n GLN 3 Cb 0.46 -1.24 0.14 0.00 1.02 0.00 0.00 30.24 30.62 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 -1.54 6.43 0.08 1.08 4.77 -1.26 -4.53 117.00 122.04 1mux n LEU 4 Ca 0.01 -3.44 -0.09 0.00 -0.03 0.00 0.00 56.01 52.46 1mux n LEU 4 Cb 0.28 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1mux n LEU 4 CO 0.30 1.06 0.31 0.74 -1.33 0.00 0.00 177.39 178.47 1mux h THR 5 N 0.88 0.53 0.02 -5.08 2.02 -2.00 -3.28 112.91 106.01 1mux h THR 5 Ca 0.54 -0.98 -0.23 0.00 0.77 0.00 0.00 66.41 66.50 1mux h THR 5 Cb 2.24 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.53 1mux h THR 5 CO 1.03 0.14 -1.16 -0.33 0.37 0.00 0.00 175.52 175.57 1mux h GLU 6 N -0.97 0.04 -0.99 6.66 5.08 -1.94 -3.28 114.58 119.19 1mux h GLU 6 Ca -0.03 -0.07 0.25 0.00 -1.00 0.00 0.00 59.36 58.51 1mux h GLU 6 Cb 0.46 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1mux h GLU 6 CO 0.05 0.95 0.66 1.49 -1.00 0.00 0.00 179.01 181.16 1mux h GLU 7 N 0.01 0.31 -0.18 2.33 4.57 -1.80 0.39 114.58 120.20 1mux h GLU 7 Ca -0.08 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1mux h GLU 7 Cb 1.84 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.35 1mux h GLU 7 CO 0.13 0.20 0.11 0.37 -1.18 0.00 0.00 179.01 178.65 1mux h GLN 8 N 0.32 0.22 -0.51 1.92 4.15 -1.62 -1.27 115.11 118.33 1mux h GLN 8 Ca 0.52 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.94 1mux h GLN 8 Cb 1.47 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1mux h GLN 8 CO -0.19 0.15 0.32 0.82 -1.93 0.00 0.00 178.83 178.00 1mux h ILE 9 N 0.23 1.10 -0.04 2.39 2.04 -1.12 0.03 117.51 122.15 1mux h ILE 9 Ca 0.07 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1mux h ILE 9 Cb -0.01 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1mux h ILE 9 CO -0.03 0.12 0.04 0.00 0.00 0.00 0.00 178.15 178.29 1mux h ALA 10 N 1.20 1.63 -0.23 1.87 0.00 -1.04 -1.55 119.26 121.13 1mux h ALA 10 Ca 0.19 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1mux h ALA 10 Cb -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mux h ALA 10 CO -0.06 -0.06 -0.16 1.49 0.00 0.00 0.00 179.25 180.46 1mux h GLU 11 N 0.00 0.51 -0.20 0.00 4.57 0.20 -2.12 114.58 117.55 1mux h GLU 11 Ca 0.02 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1mux h GLU 11 Cb 0.10 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1mux h GLU 11 CO -0.00 0.81 0.10 0.74 -1.18 0.00 0.00 179.01 179.48 1mux h PHE 12 N 0.22 0.28 -0.46 0.92 0.04 -0.99 -2.51 116.94 114.44 1mux h PHE 12 Ca 0.05 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.86 1mux h PHE 12 Cb 0.68 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 1mux h PHE 12 CO 0.07 0.29 0.18 0.87 -0.60 0.00 0.00 178.31 179.12 1mux h LYS 13 N 0.19 0.36 -0.60 1.51 1.57 -1.45 -1.56 116.57 116.59 1mux h LYS 13 Ca 0.07 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1mux h LYS 13 Cb 0.11 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 1mux h LYS 13 CO -0.01 0.24 0.18 1.49 -0.57 0.00 0.00 179.45 180.78 1mux h GLU 14 N 0.37 0.33 -0.60 3.15 4.57 -1.14 -0.89 114.58 120.37 1mux h GLU 14 Ca 0.22 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 1mux h GLU 14 Cb 0.19 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1mux h GLU 14 CO -0.20 0.22 0.38 0.00 -1.18 0.00 0.00 179.01 178.22 1mux h ALA 15 N 1.44 0.78 -0.96 2.92 0.00 -0.88 -1.75 119.26 120.81 1mux h ALA 15 Ca 0.31 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.38 1mux h ALA 15 Cb 0.42 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1mux h ALA 15 CO -0.35 0.12 0.56 0.35 0.00 0.00 0.00 179.25 179.94 1mux h PHE 16 N 0.75 0.99 -0.52 0.00 3.57 -0.42 0.24 116.94 121.54 1mux h PHE 16 Ca 0.24 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1mux h PHE 16 Cb -0.00 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1mux h PHE 16 CO -0.05 0.21 -0.04 1.03 -2.23 0.00 0.00 178.31 177.23 1mux h SER 17 N 0.72 0.89 -0.35 0.41 0.87 -1.01 -1.46 113.55 113.61 1mux h SER 17 Ca 0.55 -0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1mux h SER 17 Cb 0.85 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1mux h SER 17 CO -0.38 0.97 0.24 0.25 -0.53 0.00 0.00 176.83 177.37 1mux h LEU 18 N 0.83 0.19 0.00 2.23 6.46 -0.10 -1.35 115.31 123.56 1mux h LEU 18 Ca 0.15 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1mux h LEU 18 Cb 0.55 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1mux h LEU 18 CO 0.03 0.13 -1.16 -0.26 -0.62 0.00 0.00 178.44 176.55 1mux h PHE 19 N 0.22 0.00 -3.67 1.25 0.04 -0.92 -3.44 116.94 110.42 1mux h PHE 19 Ca 0.15 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.24 1mux h PHE 19 Cb 0.34 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.29 1mux h PHE 19 CO -0.00 0.56 -0.49 0.34 -0.60 0.00 0.00 178.31 178.12 1mux s ASP 20 N -5.97 5.97 -0.14 2.17 2.15 -0.51 -4.50 116.67 115.85 1mux s ASP 20 Ca -0.01 -0.53 0.15 0.00 0.43 0.00 0.00 52.55 52.59 1mux s ASP 20 Cb 0.08 -2.11 -0.22 0.00 -0.30 0.00 0.00 42.92 40.37 1mux s ASP 20 CO 0.79 -0.26 0.12 0.29 -0.17 0.00 0.00 175.17 175.94 1mux n LYS 21 N 5.09 1.15 -0.29 4.34 5.02 -1.26 -4.37 118.16 127.85 1mux n LYS 21 Ca -0.13 -0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.20 1mux n LYS 21 Cb 0.49 -1.42 0.22 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.52 2.74 -4.01 4.39 5.68 -1.26 -4.92 116.55 116.65 1mux n ASP 22 Ca -0.22 -2.09 -0.28 0.00 -0.50 0.00 0.00 54.79 51.70 1mux n ASP 22 Cb 0.93 -0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 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 1.13 -0.26 0.10 6.12 0.00 -1.26 -4.85 105.19 106.16 1mux n GLY 23 Ca 0.16 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 1mux n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1mux h ASP 24 N -1.78 0.00 0.00 1.61 3.58 -1.92 -3.48 116.42 114.43 1mux h ASP 24 Ca -0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1mux h ASP 24 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1mux h ASP 24 CO 0.66 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 178.37 1mux n GLY 25 N 1.37 2.29 3.26 -0.78 0.00 -1.26 -5.05 105.19 105.02 1mux n GLY 25 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.37 1.61 -0.19 2.61 -4.23 -1.26 -4.18 115.64 107.63 1mux s THR 26 Ca 0.00 -1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1mux s THR 26 Cb 0.00 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1mux s THR 26 CO 0.00 -0.01 0.32 -0.63 -0.54 0.00 0.00 174.62 173.75 1mux s ILE 27 N -1.07 5.27 0.00 2.99 1.01 -0.97 -4.95 121.20 123.47 1mux s ILE 27 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1mux s ILE 27 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1mux s ILE 27 CO 0.03 0.31 0.00 0.35 0.00 0.00 0.00 174.94 175.64 1mux n THR 28 N 4.07 0.00 0.03 2.92 -2.24 -1.26 -2.62 114.28 115.19 1mux n THR 28 Ca -0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1mux n THR 28 Cb 0.51 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.12 0.97 0.60 4.28 1.35 -1.97 -3.17 112.91 115.09 1mux h THR 29 Ca 0.00 -2.65 -0.03 0.00 -0.55 0.00 0.00 66.41 63.19 1mux h THR 29 Cb 0.00 2.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1mux h THR 29 CO 0.00 0.55 -0.29 0.11 -0.25 0.00 0.00 175.52 175.65 1mux h LYS 30 N 0.00 -0.78 0.18 4.72 1.57 -1.98 -0.10 116.57 120.18 1mux h LYS 30 Ca -0.15 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1mux h LYS 30 Cb 1.77 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 34.23 1mux h LYS 30 CO 0.08 -0.47 -0.32 0.93 -0.57 0.00 0.00 179.45 179.10 1mux h GLU 31 N -1.10 -0.56 -0.54 3.15 5.08 -1.90 0.26 114.58 118.98 1mux h GLU 31 Ca -0.08 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1mux h GLU 31 Cb 0.67 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1mux h GLU 31 CO 0.14 -0.37 0.41 1.25 -1.00 0.00 0.00 179.01 179.43 1mux h LEU 32 N -0.58 0.00 -0.03 1.33 5.85 -1.60 -0.53 115.31 119.76 1mux h LEU 32 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1mux h LEU 32 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1mux h LEU 32 CO -0.15 0.00 0.02 1.23 -0.34 0.00 0.00 178.44 179.20 1mux h GLY 33 N 0.00 0.04 2.00 3.75 0.00 0.10 -1.58 103.07 107.39 1mux h GLY 33 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1mux h GLY 33 CO -0.00 0.02 -0.13 -0.84 0.00 0.00 0.00 176.54 175.58 1mux h THR 34 N -0.04 0.40 -0.17 4.70 2.02 -0.74 -1.20 112.91 117.87 1mux h THR 34 Ca 0.01 -0.77 -0.19 0.00 0.77 0.00 0.00 66.41 66.23 1mux h THR 34 Cb 0.08 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1mux h THR 34 CO -0.00 0.13 -0.66 0.58 0.37 0.00 0.00 175.52 175.94 1mux h VAL 35 N 0.00 1.31 0.00 3.16 2.07 -0.71 -2.50 116.25 119.58 1mux h VAL 35 Ca -0.00 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1mux h VAL 35 Cb 0.54 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1mux h VAL 35 CO 0.02 0.60 -0.53 0.23 0.02 0.00 0.00 177.57 177.91 1mux n MET 36 N -3.93 0.02 0.01 1.57 2.81 -0.66 -3.47 117.12 113.48 1mux n MET 36 Ca -0.05 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.67 1mux n MET 36 Cb 0.68 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.54 1mux n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1mux h ARG 37 N 0.00 0.20 0.15 0.03 9.65 -1.16 0.10 114.38 123.35 1mux h ARG 37 Ca 0.00 -0.34 -0.29 0.00 -1.10 0.00 0.00 59.98 58.25 1mux h ARG 37 Cb 0.52 0.13 0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1mux h ARG 37 CO 0.00 1.01 -1.27 0.66 2.80 0.00 0.00 179.97 183.17 1mux h SER 38 N 0.05 0.59 0.82 -3.80 4.64 -1.60 -3.13 113.55 111.13 1mux h SER 38 Ca -0.36 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 1mux h SER 38 Cb 2.03 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1mux h SER 38 CO 0.10 1.46 -0.30 -0.11 -0.87 0.00 0.00 176.83 177.11 1mux n LEU 39 N -3.63 0.39 0.00 5.97 7.94 -1.23 -4.83 117.00 121.61 1mux n LEU 39 Ca -0.11 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1mux n LEU 39 Cb 1.02 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1mux n LEU 39 CO 0.56 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 1mux n GLY 40 N 1.46 0.07 3.76 -3.96 0.00 -1.10 -5.07 105.19 100.35 1mux n GLY 40 Ca 0.06 0.36 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 1mux n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mux s GLN 41 N 0.00 3.65 0.25 1.61 -2.07 0.01 -4.43 119.66 118.67 1mux s GLN 41 Ca 0.00 2.26 0.00 0.00 -1.82 0.00 0.00 55.36 55.80 1mux s GLN 41 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 1mux s GLN 41 CO 0.00 -0.79 0.00 0.09 -1.32 0.00 0.00 175.29 173.27 1mux n ASN 42 N -0.31 -2.26 -4.80 12.60 3.02 -1.26 -4.99 115.26 117.27 1mux n ASN 42 Ca 0.06 0.49 -0.34 0.00 -0.03 0.00 0.00 54.58 54.75 1mux n ASN 42 Cb 0.43 2.33 -0.03 0.00 -0.61 0.00 0.00 39.78 41.90 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1mux s PRO 43 N -1.51 3.74 0.00 3.52 0.04 -1.26 -5.06 135.00 134.47 1mux s PRO 43 Ca 0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1mux s PRO 43 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1mux s PRO 43 CO 0.00 -0.48 0.00 0.25 0.04 0.00 0.00 177.00 176.81 1mux n THR 44 N -1.04 0.00 -0.12 1.26 -2.24 -1.26 -4.83 114.28 106.05 1mux n THR 44 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1mux n THR 44 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 1mux n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mux n GLU 45 N 0.00 0.67 0.06 -0.78 1.02 -1.26 -3.72 120.64 116.63 1mux n GLU 45 Ca 0.00 0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1mux n GLU 45 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mux h ALA 46 N 0.21 -0.26 -0.96 0.62 0.00 -2.00 -2.50 119.26 114.37 1mux h ALA 46 Ca -0.55 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 54.40 1mux h ALA 46 Cb 1.93 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.72 1mux h ALA 46 CO -0.06 -0.27 0.56 0.93 0.00 0.00 0.00 179.25 180.41 1mux h GLU 47 N -1.03 0.72 -0.77 0.00 5.08 -1.96 0.27 114.58 116.90 1mux h GLU 47 Ca -0.03 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1mux h GLU 47 Cb 0.35 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1mux h GLU 47 CO 0.04 0.48 0.48 1.25 -1.00 0.00 0.00 179.01 180.26 1mux h LEU 48 N 0.74 0.77 -1.04 1.33 6.46 -1.64 -0.32 115.31 121.62 1mux h LEU 48 Ca 0.54 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.46 1mux h LEU 48 Cb 0.79 -0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 40.47 1mux h LEU 48 CO -0.37 0.52 0.62 -0.61 -0.62 0.00 0.00 178.44 177.98 1mux h GLN 49 N 0.91 0.84 -0.49 1.25 4.15 0.02 0.43 115.11 122.22 1mux h GLN 49 Ca 0.32 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.61 1mux h GLN 49 Cb 0.08 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1mux h GLN 49 CO -0.14 0.56 -0.00 0.22 -1.93 0.00 0.00 178.83 177.54 1mux h ASP 50 N 0.87 0.79 0.59 -0.69 1.82 -0.78 -0.77 116.42 118.25 1mux h ASP 50 Ca 0.53 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1mux h ASP 50 Cb 0.70 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1mux h ASP 50 CO -0.31 0.86 0.00 -0.03 -1.61 0.00 0.00 179.24 178.15 1mux h MET 51 N 0.77 0.00 0.04 0.28 4.05 0.50 -2.17 114.93 118.40 1mux h MET 51 Ca 0.15 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.32 1mux h MET 51 Cb 0.46 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1mux h MET 51 CO 0.02 0.00 -1.24 0.82 0.23 0.00 0.00 176.91 176.74 1mux h ILE 52 N 0.00 1.45 -0.07 1.77 1.08 0.33 -3.35 117.51 118.72 1mux h ILE 52 Ca 0.00 -3.15 0.01 0.00 -0.39 0.00 0.00 64.86 61.33 1mux h ILE 52 Cb 0.30 2.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 1mux h ILE 52 CO 0.00 0.86 0.02 0.78 -0.69 0.00 0.00 178.15 179.11 1mux h ASN 53 N 0.02 0.01 0.00 1.72 -0.26 -0.99 -0.37 115.58 115.72 1mux h ASN 53 Ca -0.11 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1mux h ASN 53 Cb 1.88 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 39.15 1mux h ASN 53 CO 0.14 0.02 0.16 1.05 -1.06 0.00 0.00 177.43 177.73 1mux h GLU 54 N 0.05 0.00 0.00 0.81 4.11 -1.68 0.29 114.58 118.16 1mux h GLU 54 Ca 0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.27 1mux h GLU 54 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1mux h GLU 54 CO -0.04 0.00 -1.77 0.28 0.07 0.00 0.00 179.01 177.55 1mux n VAL 55 N -2.85 1.02 -3.24 -1.06 0.31 -0.37 -4.75 118.33 107.39 1mux n VAL 55 Ca -0.02 -0.70 -0.45 0.00 -0.01 0.00 0.00 64.34 63.16 1mux n VAL 55 Cb 0.21 -0.53 -0.05 0.00 -0.91 0.00 0.00 33.84 32.56 1mux n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mux s ASP 56 N -5.47 6.19 -0.53 4.52 -1.08 0.09 -4.93 116.67 115.46 1mux s ASP 56 Ca -0.06 -1.58 -0.03 0.00 -0.52 0.00 0.00 52.55 50.36 1mux s ASP 56 Cb 0.09 -2.25 0.20 0.00 -1.46 0.00 0.00 42.92 39.50 1mux s ASP 56 CO 0.83 -0.94 2.37 0.00 0.52 0.00 0.00 175.17 177.96 1mux n ALA 57 N 5.69 6.17 0.04 3.66 0.00 -1.26 -4.45 120.51 130.35 1mux n ALA 57 Ca -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1mux n ALA 57 Cb 0.41 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1mux n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mux n ASP 58 N 0.26 0.12 0.00 0.00 8.00 -1.26 -5.10 116.55 118.57 1mux n ASP 58 Ca 0.48 0.13 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1mux n ASP 58 Cb 0.51 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mux n GLY 59 N 2.30 0.06 1.28 0.44 0.00 -1.26 -5.08 105.19 102.93 1mux n GLY 59 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.00 1.61 6.94 -1.26 -5.10 115.26 117.44 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 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 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 1.19 2.11 3.67 4.83 0.00 -1.26 -5.10 105.19 110.63 1mux n GLY 61 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 2.02 0.02 2.61 -4.23 -1.26 -4.79 115.64 110.00 1mux s THR 62 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1mux s THR 62 Cb 0.00 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1mux s THR 62 CO 0.00 -0.01 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.27 1mux s ILE 63 N -2.96 2.83 0.00 2.99 1.01 -1.08 -4.92 121.20 119.07 1mux s ILE 63 Ca 0.66 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1mux s ILE 63 Cb -0.19 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1mux s ILE 63 CO 0.58 0.40 0.00 0.47 0.00 0.00 0.00 174.94 176.39 1mux n ASP 64 N 1.74 0.00 0.08 3.58 8.00 -1.26 -2.29 116.55 126.39 1mux n ASP 64 Ca -0.16 -0.82 -0.23 0.00 0.71 0.00 0.00 54.79 54.29 1mux n ASP 64 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 1mux n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1mux h PHE 65 N -0.16 0.71 0.00 1.24 3.57 -2.00 -3.01 116.94 117.29 1mux h PHE 65 Ca 0.00 -0.52 -0.14 0.00 3.53 0.00 0.00 57.97 60.84 1mux h PHE 65 Cb 0.00 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1mux h PHE 65 CO 0.00 1.54 -0.68 -1.00 -2.23 0.00 0.00 178.31 175.94 1mux h PRO 66 N -0.07 0.00 0.00 6.41 0.13 -1.96 -2.39 132.00 134.12 1mux h PRO 66 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1mux h PRO 66 Cb 1.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 33.07 1mux h PRO 66 CO 0.18 0.68 -0.51 1.49 -0.23 0.00 0.00 178.00 179.60 1mux h GLU 67 N 0.00 0.00 -0.01 0.86 4.81 -1.96 -1.97 114.58 116.31 1mux h GLU 67 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1mux h GLU 67 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1mux h GLU 67 CO 0.09 0.51 -0.25 0.35 -0.73 0.00 0.00 179.01 178.98 1mux h PHE 68 N 0.00 0.27 0.00 0.92 3.04 -1.36 -2.71 116.94 117.10 1mux h PHE 68 Ca -0.01 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 1mux h PHE 68 Cb 1.10 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.58 1mux h PHE 68 CO 0.00 0.93 -0.04 1.25 -2.02 0.00 0.00 178.31 178.43 1mux h LEU 69 N -0.46 0.00 0.12 0.59 6.46 -1.44 -2.82 115.31 117.75 1mux h LEU 69 Ca -0.03 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.52 1mux h LEU 69 Cb 0.99 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1mux h LEU 69 CO 0.05 0.04 -0.91 0.74 -0.62 0.00 0.00 178.44 177.74 1mux h THR 70 N 0.00 1.43 -0.08 1.05 2.02 -1.35 -2.06 112.91 113.91 1mux h THR 70 Ca -0.00 -2.43 -0.03 0.00 0.77 0.00 0.00 66.41 64.72 1mux h THR 70 Cb 0.54 2.95 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1mux h THR 70 CO 0.01 0.71 -0.06 -0.03 0.37 0.00 0.00 175.52 176.51 1mux h MET 71 N -0.14 0.18 0.00 6.66 1.85 -1.41 -3.10 114.93 118.97 1mux h MET 71 Ca -0.15 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1mux h MET 71 Cb 1.67 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.69 1mux h MET 71 CO 0.17 0.58 0.00 -1.33 -0.40 0.00 0.00 176.91 175.93 1mux n MET 72 N -4.73 0.05 -0.16 0.39 2.81 -1.07 -3.55 117.12 110.86 1mux n MET 72 Ca -0.07 0.07 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1mux n MET 72 Cb 0.29 -1.56 -0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1mux n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mux h ALA 73 N 2.85 0.63 -1.09 3.04 0.00 -1.28 -3.18 119.26 120.23 1mux h ALA 73 Ca 0.00 -0.29 -0.66 0.00 0.00 0.00 0.00 54.91 53.95 1mux h ALA 73 Cb 0.51 -0.17 -0.34 0.00 0.00 0.00 0.00 17.79 17.79 1mux h ALA 73 CO 0.00 0.46 0.22 -2.13 0.00 0.00 0.00 179.25 177.80 1mux n ARG 74 N -4.33 3.07 -2.72 0.00 0.63 -1.23 -4.63 116.66 107.45 1mux n ARG 74 Ca 0.00 -3.84 -0.05 0.00 -0.92 0.00 0.00 57.85 53.04 1mux n ARG 74 Cb 0.33 -2.27 0.06 0.00 0.45 0.00 0.00 32.46 31.03 1mux n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1mux n LYS 75 N -0.64 1.35 -2.93 -0.14 4.76 -1.20 -5.08 118.16 114.28 1mux n LYS 75 Ca 0.50 -2.82 -0.40 0.00 -2.87 0.00 0.00 58.31 52.73 1mux n LYS 75 Cb 0.57 -0.93 -0.06 0.00 -1.84 0.00 0.00 35.03 32.78 1mux n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mux s MET 76 N -2.33 4.61 0.09 1.97 0.23 -1.26 -4.95 119.30 117.66 1mux s MET 76 Ca 0.24 1.21 0.22 0.00 -1.03 0.00 0.00 55.69 56.33 1mux s MET 76 Cb 0.41 -3.29 -0.16 0.00 -1.53 0.00 0.00 34.83 30.26 1mux s MET 76 CO -0.03 0.49 0.78 1.63 -2.03 0.00 0.00 175.02 175.86 1mux n LYS 77 N 1.86 0.63 -3.48 3.16 5.02 -1.26 -4.99 118.16 119.10 1mux n LYS 77 Ca -0.04 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.12 1mux n LYS 77 Cb 0.49 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1mux n LYS 77 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1mux s ASP 78 N -5.01 -0.49 -0.61 4.39 2.15 -1.26 -5.09 116.67 110.74 1mux s ASP 78 Ca -0.04 0.13 0.06 0.00 0.43 0.00 0.00 52.55 53.13 1mux s ASP 78 Cb 0.11 0.49 0.26 0.00 -0.30 0.00 0.00 42.92 43.48 1mux s ASP 78 CO 0.84 -0.75 0.74 1.07 -0.17 0.00 0.00 175.17 176.91 1mux n THR 79 N -0.07 2.07 -4.12 1.71 5.66 -1.26 -5.07 114.28 113.21 1mux n THR 79 Ca -0.14 -5.12 -0.25 0.00 -3.05 0.00 0.00 64.05 55.50 1mux n THR 79 Cb 0.62 -2.02 -0.07 0.00 -1.55 0.00 0.00 70.33 67.31 1mux n THR 79 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1mux s ASP 80 N -2.42 4.45 -0.44 1.09 1.11 -1.26 -5.09 116.67 114.12 1mux s ASP 80 Ca 0.40 -1.09 0.07 0.00 0.18 0.00 0.00 52.55 52.11 1mux s ASP 80 Cb 0.16 -0.41 0.33 0.00 1.07 0.00 0.00 42.92 44.07 1mux s ASP 80 CO -0.03 -0.59 1.03 -0.24 1.18 0.00 0.00 175.17 176.52 1mux n SER 81 N -1.28 -1.58 -4.01 0.27 2.88 -1.26 -5.14 113.62 103.50 1mux n SER 81 Ca -0.01 -3.54 -0.25 0.00 -1.33 0.00 0.00 58.87 53.73 1mux n SER 81 Cb 0.65 1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 65.37 1mux n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mux n GLU 82 N 0.34 0.87 -3.17 -1.46 1.02 -1.26 -4.94 120.64 112.04 1mux n GLU 82 Ca 0.11 -3.04 -0.14 0.00 -0.02 0.00 0.00 57.16 54.07 1mux n GLU 82 Cb 0.69 1.05 0.01 0.00 -0.02 0.00 0.00 31.44 33.18 1mux n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mux n GLU 83 N -0.97 -1.64 -0.02 3.49 -0.58 -1.26 -4.91 120.64 114.75 1mux n GLU 83 Ca -0.14 1.51 -0.13 0.00 -0.42 0.00 0.00 57.16 57.98 1mux n GLU 83 Cb 0.53 -2.70 -0.14 0.00 -0.57 0.00 0.00 31.44 28.56 1mux n GLU 83 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1mux n GLU 84 N 0.49 0.68 -0.16 3.49 1.02 -1.26 -4.00 120.64 120.90 1mux n GLU 84 Ca -0.01 0.27 0.27 0.00 -0.02 0.00 0.00 57.16 57.67 1mux n GLU 84 Cb 0.47 -1.75 0.70 0.00 -0.02 0.00 0.00 31.44 30.85 1mux n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1mux h ILE 85 N 0.03 0.58 -0.37 -3.67 2.04 -2.01 0.12 117.51 114.23 1mux h ILE 85 Ca -0.35 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1mux h ILE 85 Cb 2.03 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1mux h ILE 85 CO 0.08 0.01 -0.20 -0.09 0.00 0.00 0.00 178.15 177.94 1mux h ARG 86 N 0.03 0.79 -0.64 2.37 9.65 -1.94 -2.61 114.38 122.02 1mux h ARG 86 Ca 0.41 -0.35 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1mux h ARG 86 Cb 1.59 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 30.12 1mux h ARG 86 CO -0.02 0.98 0.28 0.93 2.80 0.00 0.00 179.97 184.94 1mux h GLU 87 N 0.58 0.92 0.57 0.20 5.08 -0.96 -1.29 114.58 119.68 1mux h GLU 87 Ca 0.08 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1mux h GLU 87 Cb 0.76 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1mux h GLU 87 CO 0.06 0.74 -0.27 0.00 -1.00 0.00 0.00 179.01 178.53 1mux h ALA 88 N 1.39 -0.95 -0.41 3.43 0.00 -1.32 -2.69 119.26 118.72 1mux h ALA 88 Ca 0.22 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1mux h ALA 88 Cb 0.14 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1mux h ALA 88 CO -0.02 -0.89 0.34 0.35 0.00 0.00 0.00 179.25 179.03 1mux h PHE 89 N -0.96 0.00 0.28 0.00 3.04 -1.46 -1.78 116.94 116.05 1mux h PHE 89 Ca -0.08 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1mux h PHE 89 Cb 0.59 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1mux h PHE 89 CO 0.04 0.00 -0.13 -0.09 -2.02 0.00 0.00 178.31 176.11 1mux h ARG 90 N 0.00 -0.36 0.00 1.11 2.43 -1.05 -1.93 114.38 114.58 1mux h ARG 90 Ca 0.19 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1mux h ARG 90 Cb 0.88 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1mux h ARG 90 CO -0.00 -0.12 -0.26 -0.39 -1.51 0.00 0.00 179.97 177.68 1mux h VAL 91 N -0.54 0.67 0.00 0.20 -1.51 -1.05 -2.87 116.25 111.15 1mux h VAL 91 Ca -0.04 -1.17 -0.12 0.00 -1.23 0.00 0.00 66.70 64.14 1mux h VAL 91 Cb 0.40 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1mux h VAL 91 CO 0.06 0.25 -0.59 -0.26 -1.23 0.00 0.00 177.57 175.80 1mux h PHE 92 N 0.00 0.00 -2.52 5.19 0.04 -1.17 -3.32 116.94 115.16 1mux h PHE 92 Ca -0.00 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.05 1mux h PHE 92 Cb 0.73 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 38.54 1mux h PHE 92 CO 0.00 0.59 0.22 -3.47 -0.60 0.00 0.00 178.31 175.05 1mux n ASP 93 N -3.67 5.49 0.09 2.17 -0.08 -0.74 -4.66 116.55 115.15 1mux n ASP 93 Ca -0.01 -3.49 -0.05 0.00 -1.51 0.00 0.00 54.79 49.73 1mux n ASP 93 Cb 0.63 -0.99 -0.01 0.00 2.34 0.00 0.00 41.12 43.09 1mux n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1mux h LYS 94 N 4.59 0.02 0.00 -0.67 3.64 -1.69 -3.07 116.57 119.39 1mux h LYS 94 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1mux h LYS 94 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1mux h LYS 94 CO 1.10 0.87 0.00 -0.40 -2.27 0.00 0.00 179.45 178.75 1mux n ASP 95 N -3.53 0.00 -1.08 4.20 5.75 -1.26 -4.83 116.55 115.79 1mux n ASP 95 Ca -0.01 0.22 -0.10 0.00 -0.01 0.00 0.00 54.79 54.90 1mux n ASP 95 Cb 0.82 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 96 N -0.10 0.13 0.00 6.12 0.00 -1.16 -4.96 105.19 105.21 1mux n GLY 96 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1mux n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mux n ASN 97 N 0.14 0.00 0.00 1.61 4.05 -1.26 -5.03 115.26 114.77 1mux n ASN 97 Ca -0.12 0.20 0.00 0.00 0.45 0.00 0.00 54.58 55.11 1mux n ASN 97 Cb 0.55 -0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mux n GLY 98 N 2.29 0.70 3.26 8.20 0.00 -1.26 -5.12 105.19 113.26 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 0.00 2.57 0.08 1.61 2.02 -1.26 -4.58 117.35 117.79 1mux s TYR 99 Ca 0.00 -0.87 -0.31 0.00 -0.37 0.00 0.00 57.07 55.52 1mux s TYR 99 Cb 0.00 -1.70 -0.07 0.00 -0.40 0.00 0.00 41.96 39.79 1mux s TYR 99 CO 0.00 -0.32 1.38 0.42 -1.57 0.00 0.00 175.55 175.46 1mux s ILE 100 N 0.18 3.49 0.48 2.71 1.01 -0.86 -4.79 121.20 123.42 1mux s ILE 100 Ca -0.13 1.03 0.05 0.00 0.00 0.00 0.00 60.65 61.60 1mux s ILE 100 Cb -0.16 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1mux s ILE 100 CO 0.07 0.06 0.19 -0.94 0.00 0.00 0.00 174.94 174.32 1mux s SER 101 N 1.34 4.38 -0.04 3.58 1.04 -1.26 -2.53 113.70 120.21 1mux s SER 101 Ca 0.64 -1.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.53 1mux s SER 101 Cb -0.35 0.09 -0.18 0.00 0.10 0.00 0.00 66.02 65.69 1mux s SER 101 CO 0.29 -0.80 1.05 0.00 0.98 0.00 0.00 173.24 174.75 1mux h ALA 102 N 1.21 -0.18 -0.41 5.32 0.00 -1.91 -1.97 119.26 121.32 1mux h ALA 102 Ca -0.41 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.33 1mux h ALA 102 Cb 1.29 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1mux h ALA 102 CO 0.68 -0.32 -0.42 0.00 0.00 0.00 0.00 179.25 179.18 1mux h ALA 103 N -0.04 -0.41 -0.83 0.00 0.00 -1.97 0.68 119.26 116.69 1mux h ALA 103 Ca -0.02 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mux h ALA 103 Cb 0.53 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1mux h ALA 103 CO 0.03 -0.85 0.53 0.93 0.00 0.00 0.00 179.25 179.89 1mux h GLU 104 N -0.32 1.00 -0.54 0.00 5.08 -1.90 -0.73 114.58 117.17 1mux h GLU 104 Ca 0.14 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.59 1mux h GLU 104 Cb 0.58 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1mux h GLU 104 CO -0.57 0.66 0.38 1.25 -1.00 0.00 0.00 179.01 179.74 1mux h LEU 105 N 1.03 0.05 0.06 1.33 5.85 -0.11 -1.26 115.31 122.27 1mux h LEU 105 Ca 0.33 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.84 1mux h LEU 105 Cb 0.01 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.05 1mux h LEU 105 CO -0.11 0.03 -0.87 -0.09 -0.34 0.00 0.00 178.44 177.05 1mux h ARG 106 N 0.06 0.48 0.00 1.25 2.43 0.16 -2.24 114.38 116.51 1mux h ARG 106 Ca 0.26 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1mux h ARG 106 Cb 0.95 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1mux h ARG 106 CO -0.02 1.23 0.00 0.45 -1.51 0.00 0.00 179.97 180.13 1mux h HIS 107 N -0.01 0.00 0.05 2.20 3.86 -0.86 -1.01 115.15 119.38 1mux h HIS 107 Ca -0.13 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.75 1mux h HIS 107 Cb 1.59 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.02 1mux h HIS 107 CO 0.14 0.00 -1.87 0.28 0.86 0.00 0.00 177.93 177.35 1mux n VAL 108 N -2.99 1.62 0.32 2.45 0.31 -0.86 -4.11 118.33 115.07 1mux n VAL 108 Ca -0.02 -0.38 0.16 0.00 -0.01 0.00 0.00 64.34 64.09 1mux n VAL 108 Cb 0.12 -1.83 0.63 0.00 -0.91 0.00 0.00 33.84 31.85 1mux n VAL 108 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1mux h MET 109 N -0.48 0.00 0.00 5.55 2.86 -1.18 -2.58 114.93 119.09 1mux h MET 109 Ca -0.46 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.10 1mux h MET 109 Cb 1.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 1mux h MET 109 CO -0.12 0.00 -0.42 1.15 1.06 0.00 0.00 176.91 178.59 1mux h THR 110 N 0.00 0.83 0.13 2.22 2.02 -1.35 -2.68 112.91 114.08 1mux h THR 110 Ca 0.00 -1.80 -0.35 0.00 0.77 0.00 0.00 66.41 65.03 1mux h THR 110 Cb 0.46 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1mux h THR 110 CO 0.00 0.41 -1.86 0.78 0.37 0.00 0.00 175.52 175.21 1mux h ASN 111 N 0.00 0.44 -0.77 4.18 4.21 -1.62 -3.36 115.58 118.66 1mux h ASN 111 Ca -0.00 -0.83 0.04 0.00 1.21 0.00 0.00 56.30 56.71 1mux h ASN 111 Cb 1.11 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 38.12 1mux h ASN 111 CO 0.05 1.73 0.48 -0.07 -1.29 0.00 0.00 177.43 178.34 1mux h LEU 112 N 0.08 0.78 0.00 1.61 3.38 -1.56 -3.46 115.31 116.14 1mux h LEU 112 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1mux h LEU 112 Cb 2.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1mux h LEU 112 CO 0.12 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1mux n GLY 113 N -1.31 0.42 0.18 0.83 0.00 -1.17 -5.02 105.19 99.12 1mux n GLY 113 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1mux n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mux h GLU 114 N 0.00 0.57 -4.79 1.61 4.39 -1.81 -3.50 114.58 111.05 1mux h GLU 114 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1mux h GLU 114 Cb 0.00 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1mux h GLU 114 CO 0.00 1.06 -0.94 1.63 -1.16 0.00 0.00 179.01 179.60 1mux n LYS 115 N -4.22 -4.10 -4.26 2.33 4.76 -1.03 -5.04 118.16 106.60 1mux n LYS 115 Ca -0.07 3.02 -0.15 0.00 -2.87 0.00 0.00 58.31 58.24 1mux n LYS 115 Cb 0.59 -3.98 -0.10 0.00 -1.84 0.00 0.00 35.03 29.70 1mux n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1mux s LEU 116 N -0.49 2.43 0.65 -0.35 1.43 -1.26 -5.06 118.68 116.02 1mux s LEU 116 Ca -0.07 -1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 1mux s LEU 116 Cb 0.00 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.96 1mux s LEU 116 CO 0.19 -0.39 0.95 -0.89 0.23 0.00 0.00 176.35 176.44 1mux s THR 117 N -3.38 2.79 0.21 5.49 2.01 -1.26 -4.86 115.64 116.64 1mux s THR 117 Ca 0.19 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1mux s THR 117 Cb 0.04 -3.16 0.15 0.00 0.01 0.00 0.00 72.50 69.54 1mux s THR 117 CO 0.02 -0.16 1.82 0.44 -0.69 0.00 0.00 174.62 176.05 1mux h ASP 118 N -0.38 0.61 0.01 3.53 3.32 -2.01 -1.64 116.42 119.85 1mux h ASP 118 Ca -0.45 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 1mux h ASP 118 Cb 1.29 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1mux h ASP 118 CO 0.60 0.40 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.97 1mux h GLU 119 N 0.75 0.36 0.68 3.56 4.39 -1.99 -2.21 114.58 120.11 1mux h GLU 119 Ca 0.31 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1mux h GLU 119 Cb 0.16 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1mux h GLU 119 CO -0.17 0.56 -0.33 0.93 -1.16 0.00 0.00 179.01 178.85 1mux h GLU 120 N 0.33 -0.88 -0.68 2.33 4.39 -1.69 -1.82 114.58 116.56 1mux h GLU 120 Ca 0.06 0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.94 1mux h GLU 120 Cb 0.56 0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 29.33 1mux h GLU 120 CO 0.04 -0.56 0.23 0.28 -1.16 0.00 0.00 179.01 177.83 1mux h VAL 121 N -1.18 0.67 -0.90 3.13 2.07 -1.41 0.13 116.25 118.76 1mux h VAL 121 Ca -0.09 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1mux h VAL 121 Cb 0.72 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 1mux h VAL 121 CO 0.15 0.07 0.53 -0.78 0.02 0.00 0.00 177.57 177.56 1mux h ASP 122 N 0.38 0.76 -0.07 0.57 3.58 -1.34 0.11 116.42 120.42 1mux h ASP 122 Ca 0.36 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.81 1mux h ASP 122 Cb 0.52 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1mux h ASP 122 CO -0.38 0.41 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.21 1mux h GLU 123 N 0.86 0.36 -0.03 0.28 4.81 0.10 -2.19 114.58 118.77 1mux h GLU 123 Ca 0.44 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1mux h GLU 123 Cb 0.44 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1mux h GLU 123 CO -0.26 0.47 0.01 0.52 -0.73 0.00 0.00 179.01 179.02 1mux h MET 124 N 0.34 0.05 0.00 1.92 2.86 0.15 -2.22 114.93 118.04 1mux h MET 124 Ca 0.07 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1mux h MET 124 Cb 0.39 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1mux h MET 124 CO 0.02 0.23 -0.17 0.82 1.06 0.00 0.00 176.91 178.88 1mux h ILE 125 N -0.13 0.81 0.01 -1.22 1.08 -1.20 -2.72 117.51 114.12 1mux h ILE 125 Ca 0.01 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 1mux h ILE 125 Cb 0.20 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1mux h ILE 125 CO -0.00 0.16 -0.00 0.03 -0.69 0.00 0.00 178.15 177.65 1mux h ARG 126 N 0.00 -0.01 -0.95 2.37 3.08 -1.01 -0.91 114.38 116.94 1mux h ARG 126 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1mux h ARG 126 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1mux h ARG 126 CO 0.02 0.48 0.62 0.93 -1.07 0.00 0.00 179.97 180.95 1mux h GLU 127 N -0.50 1.10 -0.02 0.04 5.08 -1.24 -0.86 114.58 118.18 1mux h GLU 127 Ca -0.00 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1mux h GLU 127 Cb 0.49 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1mux h GLU 127 CO 0.00 0.73 -0.54 0.00 -1.00 0.00 0.00 179.01 178.19 1mux h ALA 128 N 1.47 1.06 -0.82 3.43 0.00 -1.44 -3.39 119.26 119.58 1mux h ALA 128 Ca 0.40 -0.50 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1mux h ALA 128 Cb 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1mux h ALA 128 CO -0.15 0.68 0.83 0.34 0.00 0.00 0.00 179.25 180.96 1mux s ASP 129 N -6.88 5.22 -0.08 0.00 2.15 -0.33 -4.67 116.67 112.09 1mux s ASP 129 Ca -0.02 -0.60 -0.26 0.00 0.43 0.00 0.00 52.55 52.10 1mux s ASP 129 Cb 0.13 -2.56 -0.22 0.00 -0.30 0.00 0.00 42.92 39.98 1mux s ASP 129 CO 0.76 -2.65 0.98 0.40 -0.17 0.00 0.00 175.17 174.49 1mux h ILE 130 N 7.19 1.46 0.00 4.11 2.04 -1.80 -3.24 117.51 127.27 1mux h ILE 130 Ca 0.06 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1mux h ILE 130 Cb 1.02 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1mux h ILE 130 CO 1.22 0.41 0.00 -2.24 0.00 0.00 0.00 178.15 177.54 1mux h ASP 131 N -0.76 0.00 -4.00 1.72 3.04 -1.95 -3.47 116.42 110.99 1mux h ASP 131 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1mux h ASP 131 Cb 0.70 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 1mux h ASP 131 CO 0.00 0.00 -0.05 0.61 -2.04 0.00 0.00 179.24 177.77 1mux n GLY 132 N -0.06 -0.76 0.00 7.15 0.00 -1.22 -5.01 105.19 105.29 1mux n GLY 132 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.13 3.57 0.00 1.61 5.68 -1.26 -5.04 116.55 119.98 1mux n ASP 133 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1mux n ASP 133 Cb 0.43 0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 1mux n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 134 N 2.03 1.29 3.18 6.12 0.00 -1.26 -5.11 105.19 111.44 1mux n GLY 134 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.06 -0.03 1.61 1.03 -1.26 -4.91 119.66 117.16 1mux s GLN 135 Ca 0.00 -1.52 -0.02 0.00 0.04 0.00 0.00 55.36 53.86 1mux s GLN 135 Cb 0.00 0.26 -0.04 0.00 0.03 0.00 0.00 33.01 33.26 1mux s GLN 135 CO 0.00 -0.33 0.11 0.08 -2.54 0.00 0.00 175.29 172.61 1mux s VAL 136 N -4.10 4.98 0.36 3.63 1.01 -1.05 -4.75 120.40 120.48 1mux s VAL 136 Ca 0.31 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1mux s VAL 136 Cb 0.07 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1mux s VAL 136 CO 0.06 0.41 0.30 0.21 0.00 0.00 0.00 175.10 176.08 1mux s ASN 137 N -1.60 5.17 0.32 3.32 3.04 -1.26 -2.02 114.94 121.91 1mux s ASN 137 Ca 0.22 -0.58 0.07 0.00 0.04 0.00 0.00 52.86 52.60 1mux s ASN 137 Cb -0.12 -0.85 0.75 0.00 -1.54 0.00 0.00 41.25 39.49 1mux s ASN 137 CO 0.12 -0.42 1.82 0.22 -3.04 0.00 0.00 177.10 175.81 1mux h TYR 138 N 1.23 0.97 0.60 0.43 3.20 -2.00 -1.91 116.97 119.48 1mux h TYR 138 Ca -0.44 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 1mux h TYR 138 Cb 1.26 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.23 1mux h TYR 138 CO 0.54 0.30 -0.29 1.49 -1.64 0.00 0.00 178.16 178.56 1mux h GLU 139 N 0.77 -0.78 -1.10 1.82 4.81 -1.99 -2.80 114.58 115.31 1mux h GLU 139 Ca 0.51 0.05 0.31 0.00 -0.13 0.00 0.00 59.36 60.10 1mux h GLU 139 Cb 0.78 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.23 1mux h GLU 139 CO -0.28 -0.52 0.71 0.93 -0.73 0.00 0.00 179.01 179.12 1mux h GLU 140 N -1.18 0.31 -0.25 1.92 5.08 -1.82 0.13 114.58 118.77 1mux h GLU 140 Ca -0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1mux h GLU 140 Cb 0.62 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1mux h GLU 140 CO 0.14 0.20 0.03 0.35 -1.00 0.00 0.00 179.01 178.73 1mux h PHE 141 N 0.32 0.44 0.00 4.33 3.04 -1.31 -1.58 116.94 122.19 1mux h PHE 141 Ca 0.65 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.52 1mux h PHE 141 Cb 1.77 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 40.16 1mux h PHE 141 CO -0.00 0.55 -0.08 0.28 -2.02 0.00 0.00 178.31 177.03 1mux h VAL 142 N 0.21 0.32 0.00 1.41 2.07 -0.52 -2.21 116.25 117.54 1mux h VAL 142 Ca 0.07 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 1mux h VAL 142 Cb 0.35 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1mux h VAL 142 CO 0.01 0.08 -0.89 1.56 0.02 0.00 0.00 177.57 178.35 1mux h GLN 143 N 0.00 0.00 0.00 1.57 1.08 -0.82 -3.22 115.11 113.71 1mux h GLN 143 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1mux h GLN 143 Cb 0.39 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1mux h GLN 143 CO 0.01 0.41 -1.17 0.00 -0.95 0.00 0.00 178.83 177.13 1mux h MET 144 N 0.00 0.00 -0.00 1.46 -0.00 -0.88 -2.80 114.93 112.72 1mux h MET 144 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1mux h MET 144 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.06 1mux h MET 144 CO 0.06 0.16 -0.42 -0.12 -0.00 0.00 0.00 176.91 176.59 1mux n MET 145 N -2.81 0.04 -0.03 -0.10 0.00 -0.87 -4.22 117.12 109.13 1mux n MET 145 Ca -0.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.70 57.61 1mux n MET 145 Cb 0.70 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.38 1mux n MET 145 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1mux n THR 146 N -1.46 0.38 -3.47 1.12 5.66 -1.22 -4.98 114.28 110.30 1mux n THR 146 Ca 0.06 -0.23 -0.37 0.00 -3.05 0.00 0.00 64.05 60.46 1mux n THR 146 Cb 0.34 -0.85 -0.07 0.00 -1.55 0.00 0.00 70.33 68.20 1mux n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mux s ALA 147 N -2.13 3.56 0.00 1.79 0.00 -1.05 -5.11 121.76 118.81 1mux s ALA 147 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1mux s ALA 147 Cb 0.02 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1mux s ALA 147 CO 0.22 0.07 0.00 0.36 0.00 0.00 0.00 175.76 176.41