#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 7.20 -0.14 0.00 -1.08 -1.26 -5.04 116.67 116.35 1mux s ASP 2 Ca 0.00 1.44 -0.12 0.00 -0.52 0.00 0.00 52.55 53.36 1mux s ASP 2 Cb 0.00 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.93 1mux s ASP 2 CO 0.00 -0.12 0.24 -1.10 0.52 0.00 0.00 175.17 174.71 1mux s GLN 3 N 0.57 4.04 -0.16 4.34 -1.52 -1.26 -5.08 119.66 120.60 1mux s GLN 3 Ca 0.43 0.02 -0.23 0.00 -1.95 0.00 0.00 55.36 53.62 1mux s GLN 3 Cb -0.20 -3.35 0.06 0.00 -0.22 0.00 0.00 33.01 29.30 1mux s GLN 3 CO 0.23 0.41 0.60 -0.48 -0.25 0.00 0.00 175.29 175.80 1mux s LEU 4 N -0.04 -0.29 0.00 2.90 2.34 -1.26 -5.04 118.68 117.30 1mux s LEU 4 Ca 0.15 0.97 0.00 0.00 0.06 0.00 0.00 54.13 55.31 1mux s LEU 4 Cb -0.13 2.12 0.00 0.00 -0.56 0.00 0.00 46.19 47.62 1mux s LEU 4 CO 0.04 -0.34 0.83 0.35 -1.06 0.00 0.00 176.35 176.16 1mux n THR 5 N 2.10 0.67 0.05 5.48 -2.24 -1.26 -4.71 114.28 114.37 1mux n THR 5 Ca -0.16 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 60.83 1mux n THR 5 Cb 0.56 0.68 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.39 0.03 -0.78 5.08 -1.99 -2.17 114.58 115.14 1mux h GLU 6 Ca 0.00 -0.31 -0.21 0.00 -1.00 0.00 0.00 59.36 57.83 1mux h GLU 6 Cb 0.61 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1mux h GLU 6 CO 0.00 0.95 -0.96 0.93 -1.00 0.00 0.00 179.01 178.93 1mux h GLU 7 N 0.27 0.20 0.58 2.33 4.39 -1.98 -2.35 114.58 118.01 1mux h GLU 7 Ca -0.03 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1mux h GLU 7 Cb 1.28 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1mux h GLU 7 CO 0.12 1.02 -0.28 1.96 -1.16 0.00 0.00 179.01 180.67 1mux h GLN 8 N 0.10 -0.75 -0.49 2.33 4.20 -1.83 -1.50 115.11 117.17 1mux h GLN 8 Ca -0.06 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1mux h GLN 8 Cb 1.62 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.55 1mux h GLN 8 CO 0.15 -0.47 0.33 0.82 -0.67 0.00 0.00 178.83 178.99 1mux h ILE 9 N -1.16 1.11 -0.18 2.54 2.04 -1.51 0.29 117.51 120.64 1mux h ILE 9 Ca -0.08 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1mux h ILE 9 Cb 0.63 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1mux h ILE 9 CO 0.13 0.12 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 1mux h ALA 10 N 1.70 1.49 0.12 1.87 0.00 -1.38 -1.36 119.26 121.69 1mux h ALA 10 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mux h ALA 10 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1mux h ALA 10 CO -0.04 0.36 -0.06 1.49 0.00 0.00 0.00 179.25 181.01 1mux h GLU 11 N 0.26 -0.15 -0.05 0.00 4.57 0.14 -2.48 114.58 116.87 1mux h GLU 11 Ca 0.05 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1mux h GLU 11 Cb 0.37 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1mux h GLU 11 CO 0.02 0.18 0.04 0.74 -1.18 0.00 0.00 179.01 178.81 1mux h PHE 12 N -0.50 0.00 0.42 0.92 -1.00 -1.18 -2.69 116.94 112.90 1mux h PHE 12 Ca -0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1mux h PHE 12 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1mux h PHE 12 CO 0.04 0.00 -0.20 0.87 -1.61 0.00 0.00 178.31 177.41 1mux h LYS 13 N 0.00 -0.54 -0.99 1.51 1.57 -1.01 -2.43 116.57 114.68 1mux h LYS 13 Ca 0.03 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.05 1mux h LYS 13 Cb 0.10 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 1mux h LYS 13 CO -0.00 -0.24 0.62 1.49 -0.57 0.00 0.00 179.45 180.75 1mux h GLU 14 N -0.88 0.60 0.39 3.15 4.81 -1.14 -1.13 114.58 120.39 1mux h GLU 14 Ca -0.06 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1mux h GLU 14 Cb 0.56 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1mux h GLU 14 CO 0.09 0.40 -0.19 0.00 -0.73 0.00 0.00 179.01 178.59 1mux h ALA 15 N 1.64 -0.53 -0.23 2.92 0.00 -1.36 -1.81 119.26 119.89 1mux h ALA 15 Ca 0.56 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.39 1mux h ALA 15 Cb 1.06 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1mux h ALA 15 CO -0.32 -0.74 0.22 0.35 0.00 0.00 0.00 179.25 178.75 1mux h PHE 16 N -0.63 0.00 0.00 0.00 3.57 -0.75 -0.50 116.94 118.63 1mux h PHE 16 Ca -0.05 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.23 1mux h PHE 16 Cb 0.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1mux h PHE 16 CO -0.02 0.00 -0.93 0.66 -2.23 0.00 0.00 178.31 175.79 1mux h SER 17 N 0.00 0.47 0.63 0.41 4.64 -0.75 -1.78 113.55 117.15 1mux h SER 17 Ca 0.11 -0.37 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1mux h SER 17 Cb 0.54 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1mux h SER 17 CO -0.00 1.18 -0.32 0.25 -0.87 0.00 0.00 176.83 177.06 1mux h LEU 18 N 0.20 0.00 0.00 5.97 6.46 -0.27 -3.35 115.31 124.33 1mux h LEU 18 Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1mux h LEU 18 Cb 1.56 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.49 1mux h LEU 18 CO 0.16 0.32 -0.02 -0.26 -0.62 0.00 0.00 178.44 178.01 1mux h PHE 19 N 0.00 0.00 -1.45 1.25 0.04 -1.38 -3.44 116.94 111.95 1mux h PHE 19 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 1mux h PHE 19 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1mux h PHE 19 CO 0.00 0.00 1.56 -3.47 -0.60 0.00 0.00 178.31 175.80 1mux n ASP 20 N -2.36 2.36 -0.09 2.17 -0.08 -0.68 -4.74 116.55 113.14 1mux n ASP 20 Ca -0.00 -0.05 -0.12 0.00 -1.51 0.00 0.00 54.79 53.11 1mux n ASP 20 Cb 0.01 -1.45 -0.09 0.00 2.34 0.00 0.00 41.12 41.93 1mux n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1mux n LYS 21 N 8.72 0.69 0.20 -0.67 5.02 -1.26 -4.50 118.16 126.37 1mux n LYS 21 Ca 0.39 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.83 1mux n LYS 21 Cb 0.40 -1.37 0.42 0.00 -0.02 0.00 0.00 35.03 34.46 1mux n LYS 21 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1mux h ASP 22 N 0.00 0.00 -1.97 4.39 2.03 -1.98 -3.48 116.42 115.41 1mux h ASP 22 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1mux h ASP 22 Cb 1.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 1mux h ASP 22 CO -0.05 0.31 0.00 0.61 -1.03 0.00 0.00 179.24 179.09 1mux n GLY 23 N -0.02 -1.67 0.00 7.15 0.00 -1.26 -5.07 105.19 104.32 1mux n GLY 23 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1mux n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mux n ASP 24 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.02 116.55 117.63 1mux n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1mux n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mux n GLY 25 N -0.99 1.40 3.15 6.12 0.00 -1.26 -5.09 105.19 108.52 1mux n GLY 25 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1mux n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mux s THR 26 N -2.00 0.12 -0.15 2.61 -4.23 -1.26 -2.92 115.64 107.80 1mux s THR 26 Ca 0.00 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1mux s THR 26 Cb 0.00 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.85 1mux s THR 26 CO 0.00 -0.50 -0.16 -0.63 -0.54 0.00 0.00 174.62 172.79 1mux s ILE 27 N -4.04 1.68 0.50 2.99 1.01 -0.86 -4.76 121.20 117.74 1mux s ILE 27 Ca 0.23 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1mux s ILE 27 Cb 0.07 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 41.01 1mux s ILE 27 CO 0.01 0.48 0.24 0.41 0.00 0.00 0.00 174.94 176.07 1mux n THR 28 N 4.68 0.00 0.20 2.92 -1.04 -1.26 -2.54 114.28 117.23 1mux n THR 28 Ca -0.18 -2.13 0.06 0.00 -2.04 0.00 0.00 64.05 59.76 1mux n THR 28 Cb 0.50 0.14 0.42 0.00 -1.82 0.00 0.00 70.33 69.57 1mux n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1mux h THR 29 N 0.88 0.99 0.60 12.58 1.35 -1.97 -1.87 112.91 125.48 1mux h THR 29 Ca -0.35 -1.25 -0.03 0.00 -0.55 0.00 0.00 66.41 64.23 1mux h THR 29 Cb 1.20 1.72 0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1mux h THR 29 CO 0.57 0.32 -0.29 0.11 -0.25 0.00 0.00 175.52 175.98 1mux h LYS 30 N 0.00 -0.78 0.86 4.72 1.57 -1.98 0.15 116.57 121.11 1mux h LYS 30 Ca -0.00 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1mux h LYS 30 Cb 0.70 0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1mux h LYS 30 CO 0.04 -0.52 -0.41 0.93 -0.57 0.00 0.00 179.45 178.92 1mux h GLU 31 N -1.08 -1.11 -0.53 3.15 5.08 -1.92 -1.81 114.58 116.35 1mux h GLU 31 Ca -0.08 0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1mux h GLU 31 Cb 0.62 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1mux h GLU 31 CO 0.14 -0.74 0.51 1.25 -1.00 0.00 0.00 179.01 179.17 1mux h LEU 32 N -1.20 0.00 0.20 1.33 5.85 -1.45 -0.25 115.31 119.80 1mux h LEU 32 Ca -0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1mux h LEU 32 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1mux h LEU 32 CO 0.19 0.00 -0.10 1.23 -0.34 0.00 0.00 178.44 179.43 1mux h GLY 33 N 0.00 -0.29 2.00 3.75 0.00 0.17 -2.26 103.07 106.44 1mux h GLY 33 Ca 0.25 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1mux h GLY 33 CO -0.00 -0.10 -0.12 -0.84 0.00 0.00 0.00 176.54 175.48 1mux h THR 34 N -0.45 0.48 -0.44 4.70 2.02 -0.76 -0.69 112.91 117.78 1mux h THR 34 Ca -0.03 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1mux h THR 34 Cb 0.34 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1mux h THR 34 CO 0.05 0.11 -0.01 0.58 0.37 0.00 0.00 175.52 176.62 1mux h VAL 35 N 0.00 1.26 0.00 3.16 2.07 -0.84 -1.31 116.25 120.59 1mux h VAL 35 Ca -0.00 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1mux h VAL 35 Cb 0.38 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1mux h VAL 35 CO 0.01 0.36 -0.53 0.23 0.02 0.00 0.00 177.57 177.66 1mux n MET 36 N -4.39 0.10 0.09 1.57 2.81 -0.90 -2.20 117.12 114.20 1mux n MET 36 Ca -0.00 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1mux n MET 36 Cb 0.31 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 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 0.00 0.00 0.03 2.43 -0.93 -3.20 114.38 112.71 1mux h ARG 37 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1mux h ARG 37 Cb 0.58 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1mux h ARG 37 CO 0.00 0.06 -1.58 0.43 -1.51 0.00 0.00 179.97 177.38 1mux n SER 38 N -2.73 2.38 -3.22 -3.80 7.64 -0.51 -4.51 113.62 108.86 1mux n SER 38 Ca -0.02 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.60 1mux n SER 38 Cb 0.61 1.33 -0.06 0.00 -1.01 0.00 0.00 64.21 65.08 1mux n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mux n LEU 39 N -2.02 3.25 0.00 -3.43 4.77 -0.93 -4.80 117.00 113.84 1mux n LEU 39 Ca -0.06 -5.38 0.00 0.00 -0.03 0.00 0.00 56.01 50.54 1mux n LEU 39 Cb 0.44 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1mux n LEU 39 CO 0.24 2.17 0.00 0.61 -1.33 0.00 0.00 177.39 179.08 1mux n GLY 40 N 0.54 0.56 3.49 -0.72 0.00 -1.26 -4.72 105.19 103.09 1mux n GLY 40 Ca 0.29 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 0.50 0.10 1.61 -0.06 -1.21 -4.33 117.38 113.99 1mux n GLN 41 Ca 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1mux n GLN 41 Cb 0.00 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 23.91 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1mux n ASN 42 N 11.94 -1.54 -4.68 1.69 5.15 -1.26 -5.10 115.26 121.46 1mux n ASN 42 Ca 0.52 0.36 -0.29 0.00 -0.60 0.00 0.00 54.58 54.58 1mux n ASN 42 Cb 0.22 1.68 0.16 0.00 -0.53 0.00 0.00 39.78 41.32 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mux s PRO 43 N -1.41 0.62 0.00 1.20 0.04 -1.26 -5.09 135.00 129.10 1mux s PRO 43 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1mux s PRO 43 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1mux s PRO 43 CO 0.00 -2.57 0.00 -2.37 0.04 0.00 0.00 177.00 172.10 1mux n THR 44 N -4.04 0.00 -0.07 1.26 5.66 -1.26 -4.88 114.28 110.96 1mux n THR 44 Ca 0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.95 1mux n THR 44 Cb 0.58 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.22 1mux n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1mux n GLU 45 N 0.00 0.67 0.03 1.09 2.13 -1.26 -3.76 120.64 119.54 1mux n GLU 45 Ca 0.00 0.14 -0.01 0.00 0.66 0.00 0.00 57.16 57.94 1mux n GLU 45 Cb 0.00 -1.63 -0.01 0.00 0.27 0.00 0.00 31.44 30.07 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mux h ALA 46 N 0.82 -0.29 -1.08 4.31 0.00 -2.00 -2.63 119.26 118.39 1mux h ALA 46 Ca -0.45 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 54.75 1mux h ALA 46 Cb 2.11 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.88 1mux h ALA 46 CO 0.04 -0.29 0.76 1.49 0.00 0.00 0.00 179.25 181.26 1mux h GLU 47 N -0.26 0.09 0.14 0.00 4.81 -1.99 0.12 114.58 117.49 1mux h GLU 47 Ca -0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1mux h GLU 47 Cb 0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1mux h GLU 47 CO 0.01 0.06 -0.07 1.25 -0.73 0.00 0.00 179.01 179.54 1mux h LEU 48 N 0.10 -0.16 -0.93 1.64 6.46 -1.65 -1.89 115.31 118.88 1mux h LEU 48 Ca 0.54 -0.16 0.21 0.00 -0.12 0.00 0.00 57.88 58.35 1mux h LEU 48 Cb 1.96 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 41.81 1mux h LEU 48 CO -0.08 0.07 0.49 -0.61 -0.62 0.00 0.00 178.44 177.70 1mux h GLN 49 N -0.39 0.54 -0.67 1.25 -0.00 -0.37 0.33 115.11 115.80 1mux h GLN 49 Ca -0.02 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.53 1mux h GLN 49 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.64 1mux h GLN 49 CO 0.03 0.36 0.14 0.22 0.00 0.00 0.00 178.83 179.58 1mux h ASP 50 N 0.56 1.03 0.68 -0.69 1.82 -1.15 -1.32 116.42 117.34 1mux h ASP 50 Ca 0.57 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1mux h ASP 50 Cb 1.00 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1mux h ASP 50 CO -0.46 1.00 0.00 0.80 -1.61 0.00 0.00 179.24 178.98 1mux n MET 51 N -4.23 0.13 0.05 0.28 1.56 0.10 -2.51 117.12 112.52 1mux n MET 51 Ca 0.05 0.36 -0.16 0.00 -0.27 0.00 0.00 57.70 57.68 1mux n MET 51 Cb 0.27 -1.75 -0.14 0.00 2.15 0.00 0.00 33.22 33.75 1mux n MET 51 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1mux h ILE 52 N 0.00 1.13 -0.95 1.12 1.08 -0.03 -3.25 117.51 116.61 1mux h ILE 52 Ca 0.00 -2.79 -0.00 0.00 -0.39 0.00 0.00 64.86 61.67 1mux h ILE 52 Cb 0.34 2.73 -0.05 0.00 -3.07 0.00 0.00 36.82 36.77 1mux h ILE 52 CO 0.00 0.80 0.59 0.78 -0.69 0.00 0.00 178.15 179.63 1mux h ASN 53 N 0.06 1.14 -0.06 1.72 2.35 -1.16 -1.59 115.58 118.04 1mux h ASN 53 Ca -0.24 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.31 1mux h ASN 53 Cb 2.01 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 40.08 1mux h ASN 53 CO 0.15 0.86 -0.39 1.05 -1.65 0.00 0.00 177.43 177.45 1mux h GLU 54 N 1.31 0.57 0.00 0.81 4.11 -1.67 -2.92 114.58 116.80 1mux h GLU 54 Ca 0.34 -0.29 -0.10 0.00 0.07 0.00 0.00 59.36 59.39 1mux h GLU 54 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1mux h GLU 54 CO -0.07 0.87 -0.48 0.28 0.07 0.00 0.00 179.01 179.69 1mux h VAL 55 N 0.47 1.18 -3.71 -1.06 2.07 -1.49 -3.41 116.25 110.32 1mux h VAL 55 Ca 0.04 -1.73 -0.65 0.00 0.82 0.00 0.00 66.70 65.19 1mux h VAL 55 Cb 0.89 1.98 -0.16 0.00 -1.52 0.00 0.00 31.29 32.48 1mux h VAL 55 CO 0.08 0.47 -0.28 -0.62 0.02 0.00 0.00 177.57 177.23 1mux s ASP 56 N -6.69 6.19 -0.30 0.57 2.15 -0.64 -4.93 116.67 113.03 1mux s ASP 56 Ca -0.01 -0.03 0.10 0.00 0.43 0.00 0.00 52.55 53.04 1mux s ASP 56 Cb 0.12 -2.20 0.61 0.00 -0.30 0.00 0.00 42.92 41.15 1mux s ASP 56 CO 0.72 -0.27 1.62 0.00 -0.17 0.00 0.00 175.17 177.08 1mux n ALA 57 N 5.35 4.28 -0.01 3.66 0.00 -1.26 -4.67 120.51 127.86 1mux n ALA 57 Ca -0.09 -2.69 -0.01 0.00 0.00 0.00 0.00 53.44 50.64 1mux n ALA 57 Cb 0.50 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.72 0.31 0.00 0.00 9.92 -1.26 -5.06 116.55 119.74 1mux n ASP 58 Ca 0.37 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1mux n ASP 58 Cb 1.20 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 41.29 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mux n GLY 59 N 2.16 0.56 0.12 0.44 0.00 -1.26 -4.98 105.19 102.22 1mux n GLY 59 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.59 -0.07 1.61 6.94 -1.26 -4.86 115.26 118.20 1mux n ASN 60 Ca 0.00 0.65 -0.01 0.00 -0.02 0.00 0.00 54.58 55.20 1mux n ASN 60 Cb 0.00 -0.77 -0.00 0.00 -2.36 0.00 0.00 39.78 36.65 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 -0.02 0.40 3.65 4.83 0.00 -1.26 -5.03 105.19 107.76 1mux n GLY 61 Ca 0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.03 0.01 0.41 2.61 -4.23 -1.26 -4.86 115.64 106.29 1mux s THR 62 Ca 0.00 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1mux s THR 62 Cb 0.00 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1mux s THR 62 CO 0.00 -0.04 0.33 -0.63 -0.54 0.00 0.00 174.62 173.74 1mux s ILE 63 N -3.92 2.62 0.00 2.99 1.01 -1.05 -4.85 121.20 118.00 1mux s ILE 63 Ca 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1mux s ILE 63 Cb -0.03 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1mux s ILE 63 CO 0.03 -0.01 0.00 0.47 0.00 0.00 0.00 174.94 175.43 1mux n ASP 64 N -1.47 0.86 0.05 3.58 8.00 -1.26 -2.02 116.55 124.28 1mux n ASP 64 Ca 0.02 -0.30 -0.21 0.00 0.71 0.00 0.00 54.79 55.01 1mux n ASP 64 Cb 0.62 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.30 0.59 0.00 1.24 3.57 -1.94 -2.93 116.94 117.76 1mux h PHE 65 Ca 0.00 -0.43 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 1mux h PHE 65 Cb 0.00 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1mux h PHE 65 CO 0.00 1.46 -0.56 -1.00 -2.23 0.00 0.00 178.31 175.98 1mux h PRO 66 N -0.24 0.00 0.00 6.41 0.13 -1.98 -2.61 132.00 133.71 1mux h PRO 66 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1mux h PRO 66 Cb 1.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.92 1mux h PRO 66 CO 0.14 0.56 -0.34 0.93 -0.23 0.00 0.00 178.00 179.06 1mux h GLU 67 N 0.00 0.00 0.00 0.86 5.08 -1.97 -2.06 114.58 116.49 1mux h GLU 67 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1mux h GLU 67 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1mux h GLU 67 CO 0.07 0.34 -0.14 0.35 -1.00 0.00 0.00 179.01 178.63 1mux h PHE 68 N 0.00 0.14 0.00 4.33 3.57 -1.31 -1.54 116.94 122.14 1mux h PHE 68 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1mux h PHE 68 Cb 1.18 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1mux h PHE 68 CO 0.00 0.88 -0.12 1.25 -2.23 0.00 0.00 178.31 178.09 1mux h LEU 69 N -0.63 0.00 0.00 0.59 6.46 -1.55 -2.67 115.31 117.51 1mux h LEU 69 Ca -0.02 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1mux h LEU 69 Cb 0.92 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1mux h LEU 69 CO 0.03 0.12 -1.09 0.74 -0.62 0.00 0.00 178.44 177.62 1mux h THR 70 N 0.00 0.17 0.09 1.05 2.02 -1.43 -2.95 112.91 111.86 1mux h THR 70 Ca -0.00 -1.32 -0.33 0.00 0.77 0.00 0.00 66.41 65.52 1mux h THR 70 Cb 0.88 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1mux h THR 70 CO 0.02 0.10 -1.81 0.00 0.37 0.00 0.00 175.52 174.19 1mux h MET 71 N 0.00 0.19 0.00 6.66 -0.00 -1.23 -2.94 114.93 117.61 1mux h MET 71 Ca -0.05 -0.32 -0.09 0.00 -0.00 0.00 0.00 59.70 59.24 1mux h MET 71 Cb 1.19 0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.89 1mux h MET 71 CO 0.02 0.98 -0.78 0.52 -0.00 0.00 0.00 176.91 177.65 1mux h MET 72 N 0.05 0.00 0.00 -0.10 2.07 -1.64 -3.12 114.93 112.19 1mux h MET 72 Ca -0.34 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.22 1mux h MET 72 Cb 2.03 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.75 1mux h MET 72 CO 0.10 0.27 -0.43 0.00 1.07 0.00 0.00 176.91 177.92 1mux h ALA 73 N 1.65 0.08 -1.89 6.32 0.00 -1.67 -3.39 119.26 120.37 1mux h ALA 73 Ca -0.05 -0.66 -0.70 0.00 0.00 0.00 0.00 54.91 53.50 1mux h ALA 73 Cb 1.31 0.27 -0.35 0.00 0.00 0.00 0.00 17.79 19.02 1mux h ALA 73 CO 0.04 0.26 0.14 0.54 0.00 0.00 0.00 179.25 180.23 1mux n ARG 74 N -4.58 4.01 -2.92 0.00 3.00 -1.11 -4.98 116.66 110.08 1mux n ARG 74 Ca -0.15 -4.72 -0.44 0.00 -0.01 0.00 0.00 57.85 52.53 1mux n ARG 74 Cb 0.47 -2.36 -0.03 0.00 0.00 0.00 0.00 32.46 30.54 1mux n ARG 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1mux s LYS 75 N -3.43 3.54 0.17 5.56 2.20 -1.18 -4.77 119.74 121.83 1mux s LYS 75 Ca 0.41 -1.67 -0.24 0.00 -0.36 0.00 0.00 55.97 54.11 1mux s LYS 75 Cb 0.18 -4.84 -0.08 0.00 -1.51 0.00 0.00 37.83 31.59 1mux s LYS 75 CO -0.07 -1.77 0.75 1.41 -0.36 0.00 0.00 175.35 175.31 1mux s MET 76 N 2.81 4.48 -0.52 4.03 1.75 -1.26 -5.01 119.30 125.58 1mux s MET 76 Ca 0.31 1.07 -0.24 0.00 -1.25 0.00 0.00 55.69 55.58 1mux s MET 76 Cb -0.06 -3.20 0.04 0.00 2.84 0.00 0.00 34.83 34.45 1mux s MET 76 CO -0.07 0.55 0.91 0.15 -0.65 0.00 0.00 175.02 175.91 1mux s LYS 77 N -1.27 3.38 -0.20 4.11 1.02 -1.26 -4.99 119.74 120.53 1mux s LYS 77 Ca 0.36 -0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.08 1mux s LYS 77 Cb -0.22 -4.01 0.07 0.00 -0.52 0.00 0.00 37.83 33.15 1mux s LYS 77 CO 0.25 -1.38 0.46 0.16 -0.92 0.00 0.00 175.35 173.92 1mux s ASP 78 N 2.63 -0.57 0.07 2.83 -4.77 -1.26 -5.16 116.67 110.44 1mux s ASP 78 Ca 0.31 1.03 0.07 0.00 -3.30 0.00 0.00 52.55 50.66 1mux s ASP 78 Cb -0.12 0.99 -0.03 0.00 -1.09 0.00 0.00 42.92 42.67 1mux s ASP 78 CO 0.21 -0.21 -0.18 -0.89 0.70 0.00 0.00 175.17 174.80 1mux s THR 79 N 1.65 1.48 -0.30 2.11 2.01 -1.26 -5.11 115.64 116.21 1mux s THR 79 Ca -0.08 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 1mux s THR 79 Cb -0.08 -1.34 0.19 0.00 0.01 0.00 0.00 72.50 71.28 1mux s THR 79 CO -0.14 -0.02 0.81 -0.62 -0.69 0.00 0.00 174.62 173.96 1mux s ASP 80 N -1.58 -1.03 0.33 3.53 2.15 -1.26 -5.17 116.67 113.64 1mux s ASP 80 Ca 0.04 0.06 0.06 0.00 0.43 0.00 0.00 52.55 53.14 1mux s ASP 80 Cb -0.09 1.62 -0.03 0.00 -0.30 0.00 0.00 42.92 44.12 1mux s ASP 80 CO 0.03 -0.18 0.24 -0.55 -0.17 0.00 0.00 175.17 174.53 1mux s SER 81 N 2.79 1.72 -0.30 -0.34 0.15 -1.26 -5.14 113.70 111.33 1mux s SER 81 Ca 0.18 -1.71 0.02 0.00 0.70 0.00 0.00 55.95 55.14 1mux s SER 81 Cb -0.05 0.53 0.16 0.00 -1.71 0.00 0.00 66.02 64.94 1mux s SER 81 CO -0.23 -1.02 0.39 -0.70 1.20 0.00 0.00 173.24 172.88 1mux s GLU 82 N -3.56 0.42 -0.31 5.44 2.56 -1.26 -5.09 118.70 116.90 1mux s GLU 82 Ca 0.38 0.01 -0.07 0.00 0.00 0.00 0.00 54.97 55.29 1mux s GLU 82 Cb 0.03 -0.39 0.19 0.00 2.00 0.00 0.00 34.13 35.96 1mux s GLU 82 CO 0.24 -1.05 0.94 -2.00 -0.56 0.00 0.00 175.26 172.83 1mux s GLU 83 N 2.44 0.26 0.49 4.30 2.12 -1.26 -5.01 118.70 122.04 1mux s GLU 83 Ca 0.10 0.15 0.14 0.00 0.36 0.00 0.00 54.97 55.72 1mux s GLU 83 Cb -0.13 0.09 1.16 0.00 0.26 0.00 0.00 34.13 35.51 1mux s GLU 83 CO -0.29 -0.46 2.12 0.93 -0.54 0.00 0.00 175.26 177.02 1mux h GLU 84 N 7.06 0.12 -0.92 4.30 5.08 -2.02 -1.80 114.58 126.40 1mux h GLU 84 Ca -0.06 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.50 1mux h GLU 84 Cb 1.19 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1mux h GLU 84 CO -0.04 0.09 0.61 0.82 -1.00 0.00 0.00 179.01 179.49 1mux h ILE 85 N 0.12 0.66 -0.65 3.13 2.04 -2.00 0.15 117.51 120.96 1mux h ILE 85 Ca 0.03 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1mux h ILE 85 Cb 0.01 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1mux h ILE 85 CO -0.01 0.07 0.39 -0.09 0.00 0.00 0.00 178.15 178.52 1mux h ARG 86 N 0.40 0.73 -0.31 2.37 1.12 -1.75 -0.73 114.38 116.21 1mux h ARG 86 Ca 0.48 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 59.28 1mux h ARG 86 Cb 1.22 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 1mux h ARG 86 CO -0.18 0.49 0.08 0.93 -3.11 0.00 0.00 179.97 178.18 1mux h GLU 87 N 0.76 0.45 0.25 0.20 5.08 -0.85 -1.92 114.58 118.55 1mux h GLU 87 Ca 0.27 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1mux h GLU 87 Cb 0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1mux h GLU 87 CO -0.13 0.41 -0.12 0.00 -1.00 0.00 0.00 179.01 178.17 1mux h ALA 88 N 1.65 -0.80 -0.69 3.43 0.00 -0.80 -2.48 119.26 119.59 1mux h ALA 88 Ca 0.11 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.14 1mux h ALA 88 Cb 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1mux h ALA 88 CO -0.01 -0.77 0.67 0.35 0.00 0.00 0.00 179.25 179.49 1mux h PHE 89 N -0.44 0.00 -0.22 0.00 3.04 -1.36 0.11 116.94 118.08 1mux h PHE 89 Ca -0.03 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 1mux h PHE 89 Cb 0.26 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1mux h PHE 89 CO 0.10 0.00 -0.13 -0.09 -2.02 0.00 0.00 178.31 176.17 1mux h ARG 90 N 0.00 0.47 0.00 1.11 9.65 -1.16 -1.67 114.38 122.79 1mux h ARG 90 Ca 0.33 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1mux h ARG 90 Cb 1.66 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 1mux h ARG 90 CO -0.00 0.77 0.00 -0.39 2.80 0.00 0.00 179.97 183.15 1mux h VAL 91 N 0.17 0.00 0.00 0.20 -1.51 -0.35 -2.93 116.25 111.83 1mux h VAL 91 Ca 0.04 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1mux h VAL 91 Cb 0.64 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1mux h VAL 91 CO 0.04 0.00 -1.00 0.49 -1.23 0.00 0.00 177.57 175.87 1mux n PHE 92 N -2.42 0.75 -2.46 5.19 3.72 -0.66 -4.27 117.46 117.31 1mux n PHE 92 Ca 0.04 0.22 -0.16 0.00 -0.05 0.00 0.00 57.45 57.50 1mux n PHE 92 Cb 0.37 -0.81 0.02 0.00 -0.94 0.00 0.00 39.48 38.13 1mux n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1mux n ASP 93 N -2.46 3.37 -2.65 4.37 2.03 -0.64 -4.50 116.55 116.07 1mux n ASP 93 Ca 0.01 -3.11 -0.35 0.00 0.52 0.00 0.00 54.79 51.86 1mux n ASP 93 Cb 0.52 -0.44 0.04 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.50 2.97 -0.01 -0.67 2.85 -1.12 -4.45 118.16 117.24 1mux n LYS 94 Ca 0.27 -3.78 0.01 0.00 -1.05 0.00 0.00 58.31 53.76 1mux n LYS 94 Cb 0.82 -2.27 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 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 -0.60 4.22 0.00 -5.58 5.68 -1.26 -5.01 116.55 114.00 1mux n ASP 95 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1mux n ASP 95 Cb 0.46 1.01 0.00 0.00 -1.14 0.00 0.00 41.12 41.45 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 2.43 1.96 0.26 6.12 0.00 -1.26 -5.06 105.19 109.65 1mux n GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mux n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mux n ASN 97 N 0.00 0.00 0.00 1.61 2.85 -1.26 -5.07 115.26 113.38 1mux n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1mux n ASN 97 Cb 0.00 -0.32 0.00 0.00 1.24 0.00 0.00 39.78 40.70 1mux n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mux n GLY 98 N 2.17 2.39 3.32 8.20 0.00 -1.26 -5.13 105.19 114.87 1mux n GLY 98 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 1.54 0.10 1.61 2.02 -1.26 -4.95 117.35 116.40 1mux s TYR 99 Ca 0.00 -1.16 -0.31 0.00 -0.37 0.00 0.00 57.07 55.24 1mux s TYR 99 Cb 0.00 -0.90 -0.07 0.00 -0.40 0.00 0.00 41.96 40.59 1mux s TYR 99 CO 0.00 -0.31 1.23 0.42 -1.57 0.00 0.00 175.55 175.32 1mux s ILE 100 N -3.72 3.81 0.44 2.71 1.01 -0.60 -4.80 121.20 120.06 1mux s ILE 100 Ca 0.37 1.35 0.06 0.00 0.00 0.00 0.00 60.65 62.43 1mux s ILE 100 Cb 0.08 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1mux s ILE 100 CO 0.13 0.13 0.20 -0.55 0.00 0.00 0.00 174.94 174.85 1mux s SER 101 N 0.83 4.43 0.02 3.58 0.15 -1.26 -2.74 113.70 118.71 1mux s SER 101 Ca 0.58 -1.16 -0.23 0.00 0.70 0.00 0.00 55.95 55.84 1mux s SER 101 Cb -0.31 -0.23 -0.16 0.00 -1.71 0.00 0.00 66.02 63.61 1mux s SER 101 CO 0.31 -0.67 1.36 0.00 1.20 0.00 0.00 173.24 175.44 1mux h ALA 102 N 1.31 0.13 0.17 5.45 0.00 -1.93 -2.78 119.26 121.60 1mux h ALA 102 Ca -0.42 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1mux h ALA 102 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1mux h ALA 102 CO 0.68 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.71 1mux h ALA 103 N 0.62 -0.28 -0.33 0.00 0.00 -1.96 -1.28 119.26 116.02 1mux h ALA 103 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1mux h ALA 103 Cb 0.51 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1mux h ALA 103 CO 0.01 -0.67 -0.33 0.93 0.00 0.00 0.00 179.25 179.19 1mux h GLU 104 N -0.30 -0.28 -0.03 0.00 5.08 -1.91 0.86 114.58 117.99 1mux h GLU 104 Ca -0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1mux h GLU 104 Cb 0.27 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1mux h GLU 104 CO -0.00 -0.19 -0.04 1.25 -1.00 0.00 0.00 179.01 179.02 1mux h LEU 105 N -0.29 0.04 -0.63 1.33 6.46 -1.33 -1.67 115.31 119.21 1mux h LEU 105 Ca 0.15 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 1mux h LEU 105 Cb 0.54 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1mux h LEU 105 CO -0.50 0.09 -0.14 -0.09 -0.62 0.00 0.00 178.44 177.18 1mux h ARG 106 N 0.04 0.93 0.00 1.25 2.43 0.36 -2.45 114.38 116.94 1mux h ARG 106 Ca 0.01 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1mux h ARG 106 Cb 0.11 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1mux h ARG 106 CO 0.01 1.01 -0.29 1.58 -1.51 0.00 0.00 179.97 180.76 1mux n HIS 107 N -4.14 0.66 0.04 2.20 -0.00 -0.72 -3.32 115.22 109.93 1mux n HIS 107 Ca 0.01 0.19 -0.06 0.00 0.46 0.00 0.00 57.72 58.32 1mux n HIS 107 Cb 0.41 -0.75 -0.11 0.00 -0.12 0.00 0.00 29.99 29.41 1mux n HIS 107 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1mux h VAL 108 N 0.00 1.24 0.08 3.57 2.07 -1.05 -3.32 116.25 118.84 1mux h VAL 108 Ca 0.00 -2.94 -0.14 0.00 0.82 0.00 0.00 66.70 64.43 1mux h VAL 108 Cb 0.71 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1mux h VAL 108 CO 0.00 0.70 -0.68 0.24 0.02 0.00 0.00 177.57 177.85 1mux h MET 109 N 0.00 0.17 -0.97 1.57 2.86 -1.52 -2.39 114.93 114.65 1mux h MET 109 Ca -0.12 -0.29 0.26 0.00 -2.06 0.00 0.00 59.70 57.49 1mux h MET 109 Cb 1.80 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 33.51 1mux h MET 109 CO 0.10 1.14 0.66 1.79 1.06 0.00 0.00 176.91 181.66 1mux h THR 110 N -0.62 0.56 0.02 2.22 1.35 -1.71 -2.06 112.91 112.67 1mux h THR 110 Ca -0.14 -0.07 -0.17 0.00 -0.55 0.00 0.00 66.41 65.48 1mux h THR 110 Cb 1.42 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1mux h THR 110 CO 0.06 0.04 -0.91 0.78 -0.25 0.00 0.00 175.52 175.24 1mux h ASN 111 N 0.21 0.07 -1.22 5.36 4.21 -1.66 -3.34 115.58 119.21 1mux h ASN 111 Ca 0.50 -0.72 0.35 0.00 1.21 0.00 0.00 56.30 57.64 1mux h ASN 111 Cb 1.58 -0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 38.68 1mux h ASN 111 CO -0.13 1.37 0.85 -0.07 -1.29 0.00 0.00 177.43 178.16 1mux h LEU 112 N -0.87 0.15 0.00 1.61 3.38 -0.85 -3.43 115.31 115.30 1mux h LEU 112 Ca -0.24 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1mux h LEU 112 Cb 1.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1mux h LEU 112 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1mux n GLY 113 N -1.67 1.16 3.60 0.83 0.00 -0.84 -5.10 105.19 103.18 1mux n GLY 113 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 1.94 -0.43 1.61 0.41 -0.87 -5.05 118.70 116.28 1mux s GLU 114 Ca 0.00 -1.98 0.04 0.00 -0.41 0.00 0.00 54.97 52.62 1mux s GLU 114 Cb 0.00 -1.73 0.12 0.00 -1.78 0.00 0.00 34.13 30.74 1mux s GLU 114 CO 0.00 0.04 0.17 0.21 -0.49 0.00 0.00 175.26 175.19 1mux s LYS 115 N -3.69 1.66 0.10 1.61 2.20 -1.26 -4.42 119.74 115.95 1mux s LYS 115 Ca 0.34 -2.20 0.06 0.00 -0.36 0.00 0.00 55.97 53.82 1mux s LYS 115 Cb 0.05 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1mux s LYS 115 CO 0.18 -1.04 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.46 1mux s LEU 116 N 0.33 2.34 0.47 5.43 1.43 -1.26 -5.13 118.68 122.28 1mux s LEU 116 Ca 0.14 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1mux s LEU 116 Cb -0.23 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.39 1mux s LEU 116 CO -0.04 -0.07 0.64 -0.89 0.23 0.00 0.00 176.35 176.22 1mux s THR 117 N -1.60 2.75 0.06 5.49 2.01 -1.26 -4.95 115.64 118.14 1mux s THR 117 Ca 0.05 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 1mux s THR 117 Cb -0.08 -2.76 -0.13 0.00 0.01 0.00 0.00 72.50 69.54 1mux s THR 117 CO 0.03 0.00 1.40 0.44 -0.69 0.00 0.00 174.62 175.80 1mux h ASP 118 N 0.49 -0.95 -0.92 3.53 5.19 -2.00 -2.23 116.42 119.53 1mux h ASP 118 Ca -0.37 0.07 0.15 0.00 -0.62 0.00 0.00 57.03 56.25 1mux h ASP 118 Cb 1.28 0.30 -0.09 0.00 0.18 0.00 0.00 39.33 40.99 1mux h ASP 118 CO 0.44 -0.51 0.52 -0.33 -3.12 0.00 0.00 179.24 176.24 1mux h GLU 119 N -0.80 0.72 -0.36 3.56 5.08 -1.99 -1.39 114.58 119.40 1mux h GLU 119 Ca -0.06 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1mux h GLU 119 Cb 0.67 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1mux h GLU 119 CO 0.02 0.47 -0.13 0.93 -1.00 0.00 0.00 179.01 179.30 1mux h GLU 120 N 0.74 -0.05 -0.66 2.33 4.39 -1.87 -0.69 114.58 118.77 1mux h GLU 120 Ca 0.50 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.25 1mux h GLU 120 Cb 0.67 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1mux h GLU 120 CO -0.34 -0.03 0.39 0.28 -1.16 0.00 0.00 179.01 178.14 1mux h VAL 121 N -0.05 1.02 -0.04 3.13 2.07 -0.66 0.25 116.25 121.96 1mux h VAL 121 Ca 0.18 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1mux h VAL 121 Cb 0.32 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1mux h VAL 121 CO -0.40 0.13 0.03 -0.78 0.02 0.00 0.00 177.57 176.58 1mux h ASP 122 N 0.73 0.00 0.05 0.57 3.58 -0.82 -1.28 116.42 119.25 1mux h ASP 122 Ca 0.28 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.53 1mux h ASP 122 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1mux h ASP 122 CO -0.15 0.00 -0.74 -0.08 -2.88 0.00 0.00 179.24 175.39 1mux h GLU 123 N 0.00 0.60 -0.60 0.28 4.81 0.36 -2.19 114.58 117.84 1mux h GLU 123 Ca 0.02 -0.48 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 1mux h GLU 123 Cb 0.08 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1mux h GLU 123 CO -0.00 1.11 -0.02 0.52 -0.73 0.00 0.00 179.01 179.88 1mux h MET 124 N 0.42 1.07 -0.37 1.92 2.86 -0.66 -2.22 114.93 117.96 1mux h MET 124 Ca -0.04 -0.35 -0.14 0.00 -2.06 0.00 0.00 59.70 57.11 1mux h MET 124 Cb 1.34 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1mux h MET 124 CO 0.14 1.06 -0.34 0.82 1.06 0.00 0.00 176.91 179.64 1mux h ILE 125 N 0.97 1.28 -0.31 -1.22 1.08 -1.40 -2.45 117.51 115.47 1mux h ILE 125 Ca 0.17 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.11 1mux h ILE 125 Cb 0.59 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1mux h ILE 125 CO 0.04 0.50 0.14 0.03 -0.69 0.00 0.00 178.15 178.16 1mux h ARG 126 N 0.70 0.45 -0.75 2.37 2.47 -1.23 -0.80 114.38 117.58 1mux h ARG 126 Ca 0.07 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1mux h ARG 126 Cb 0.90 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 1mux h ARG 126 CO 0.08 0.44 0.34 0.93 0.56 0.00 0.00 179.97 182.32 1mux h GLU 127 N 0.35 1.09 0.00 0.04 5.08 -1.37 -1.50 114.58 118.28 1mux h GLU 127 Ca 0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1mux h GLU 127 Cb 0.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1mux h GLU 127 CO -0.01 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 1mux h ALA 128 N 1.30 1.00 -0.51 3.43 0.00 -1.14 -3.33 119.26 120.00 1mux h ALA 128 Ca 0.26 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.44 1mux h ALA 128 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1mux h ALA 128 CO -0.03 0.00 2.72 -3.47 0.00 0.00 0.00 179.25 178.47 1mux n ASP 129 N -2.46 7.92 -0.29 0.00 2.03 -0.33 -4.72 116.55 118.69 1mux n ASP 129 Ca 0.03 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.35 1mux n ASP 129 Cb 0.33 -1.42 0.15 0.00 -0.72 0.00 0.00 41.12 39.47 1mux n ASP 129 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1mux h ILE 130 N 2.80 0.96 0.00 5.18 3.07 -1.76 -1.08 117.51 126.67 1mux h ILE 130 Ca 0.72 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.84 1mux h ILE 130 Cb 0.33 0.04 0.00 0.00 -0.27 0.00 0.00 36.82 36.92 1mux h ILE 130 CO 1.56 0.16 0.00 -2.24 -1.05 0.00 0.00 178.15 176.58 1mux h ASP 131 N 0.85 0.00 -4.25 2.16 2.03 -1.95 -3.48 116.42 111.78 1mux h ASP 131 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1mux h ASP 131 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1mux h ASP 131 CO -0.21 0.00 -0.06 0.61 -1.03 0.00 0.00 179.24 178.55 1mux n GLY 132 N 0.32 -0.85 0.00 7.15 0.00 -0.41 -5.00 105.19 106.40 1mux n GLY 132 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.19 2.42 0.00 1.61 5.68 -1.26 -5.05 116.55 118.76 1mux n ASP 133 Ca 0.01 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1mux n ASP 133 Cb 0.44 0.69 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 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 1.42 3.55 3.56 6.12 0.00 -1.26 -5.08 105.19 113.50 1mux n GLY 134 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 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 1.87 -0.21 1.61 1.03 -1.26 -4.97 119.66 117.72 1mux s GLN 135 Ca 0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 55.36 53.42 1mux s GLN 135 Cb 0.00 -1.75 -0.04 0.00 0.03 0.00 0.00 33.01 31.24 1mux s GLN 135 CO 0.00 0.15 0.10 0.08 -2.54 0.00 0.00 175.29 173.08 1mux s VAL 136 N -2.59 4.94 0.14 3.63 1.01 -1.11 -4.88 120.40 121.55 1mux s VAL 136 Ca 0.33 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1mux s VAL 136 Cb 0.02 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1mux s VAL 136 CO 0.17 0.41 0.19 -0.46 0.00 0.00 0.00 175.10 175.41 1mux n ASN 137 N 3.96 0.40 0.31 3.32 6.94 -1.26 -1.55 115.26 127.38 1mux n ASN 137 Ca -0.16 -1.30 -0.12 0.00 -0.02 0.00 0.00 54.58 52.97 1mux n ASN 137 Cb 0.52 -0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 37.77 1mux n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1mux h TYR 138 N -0.14 -0.75 -0.74 -2.53 3.20 -1.99 -2.54 116.97 111.48 1mux h TYR 138 Ca -0.06 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.91 1mux h TYR 138 Cb 0.27 0.25 -0.13 0.00 1.54 0.00 0.00 36.73 38.65 1mux h TYR 138 CO 0.00 -0.46 -0.33 0.93 -1.64 0.00 0.00 178.16 176.65 1mux h GLU 139 N -0.97 -0.09 -0.96 1.82 5.08 -1.99 0.34 114.58 117.81 1mux h GLU 139 Ca -0.08 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1mux h GLU 139 Cb 0.62 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1mux h GLU 139 CO 0.14 -0.06 0.62 0.93 -1.00 0.00 0.00 179.01 179.64 1mux h GLU 140 N -0.09 1.04 0.00 2.33 5.08 -1.89 -0.58 114.58 120.47 1mux h GLU 140 Ca 0.29 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1mux h GLU 140 Cb 0.57 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1mux h GLU 140 CO -0.79 0.69 -0.24 0.35 -1.00 0.00 0.00 179.01 178.02 1mux h PHE 141 N 1.08 0.00 0.00 4.33 3.57 0.08 -2.53 116.94 123.47 1mux h PHE 141 Ca 0.43 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1mux h PHE 141 Cb 0.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1mux h PHE 141 CO -0.00 0.24 -1.05 0.28 -2.23 0.00 0.00 178.31 175.55 1mux n VAL 142 N -3.83 0.69 0.03 1.41 0.31 -0.36 -3.36 118.33 113.22 1mux n VAL 142 Ca -0.02 -0.57 -0.08 0.00 -0.01 0.00 0.00 64.34 63.67 1mux n VAL 142 Cb 0.34 -0.39 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.00 0.00 5.55 1.08 -0.92 -3.18 115.11 117.64 1mux h GLN 143 Ca -0.02 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1mux h GLN 143 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1mux h GLN 143 CO 0.01 0.81 -0.66 0.00 -0.95 0.00 0.00 178.83 178.04 1mux n MET 144 N -3.24 0.19 0.01 1.46 0.00 -0.98 -1.89 117.12 112.67 1mux n MET 144 Ca -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 57.70 57.63 1mux n MET 144 Cb 0.98 -1.61 -0.11 0.00 0.00 0.00 0.00 33.22 32.49 1mux n MET 144 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1mux h MET 145 N 0.00 0.00 0.00 3.17 1.85 -1.64 -3.43 114.93 114.87 1mux h MET 145 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1mux h MET 145 Cb 0.66 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1mux h MET 145 CO 0.00 0.40 -0.84 0.25 -0.40 0.00 0.00 176.91 176.32 1mux n THR 146 N -2.98 0.09 -2.45 -0.77 -2.24 -1.20 -5.01 114.28 99.73 1mux n THR 146 Ca -0.13 0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1mux n THR 146 Cb 0.95 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.00 3.45 -2.39 6.98 0.00 -0.79 -5.08 121.76 121.93 1mux s ALA 147 Ca 0.00 0.70 0.19 0.00 0.00 0.00 0.00 51.96 52.85 1mux s ALA 147 Cb 0.00 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.78 1mux s ALA 147 CO 0.00 -0.65 1.10 1.63 0.00 0.00 0.00 175.76 177.85