#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mux n ASP 2 N 0.00 2.43 -4.94 0.00 2.03 -1.26 -4.93 116.55 109.89 1mux n ASP 2 Ca 0.00 0.38 -0.27 0.00 0.52 0.00 0.00 54.79 55.42 1mux n ASP 2 Cb 0.00 -1.33 -0.03 0.00 -0.72 0.00 0.00 41.12 39.03 1mux n ASP 2 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1mux s GLN 3 N 6.18 3.43 -0.11 -0.67 2.00 -1.26 -5.10 119.66 124.13 1mux s GLN 3 Ca 1.07 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 53.86 1mux s GLN 3 Cb -0.73 -2.98 0.02 0.00 0.80 0.00 0.00 33.01 30.13 1mux s GLN 3 CO 0.46 0.54 -0.09 -0.51 -0.50 0.00 0.00 175.29 175.19 1mux s LEU 4 N -3.06 1.28 0.13 3.68 1.43 -1.26 -4.99 118.68 115.90 1mux s LEU 4 Ca 0.35 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1mux s LEU 4 Cb -0.11 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1mux s LEU 4 CO 0.28 -0.09 0.00 0.35 0.23 0.00 0.00 176.35 177.12 1mux n THR 5 N 4.74 0.18 0.10 5.49 -2.24 -1.26 -4.83 114.28 116.46 1mux n THR 5 Ca -0.15 0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1mux n THR 5 Cb 0.50 -0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.43 -0.89 -0.78 4.39 -2.02 -3.32 114.58 112.40 1mux h GLU 6 Ca 0.00 -0.74 0.18 0.00 0.34 0.00 0.00 59.36 59.14 1mux h GLU 6 Cb 0.12 0.28 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1mux h GLU 6 CO 0.00 1.35 0.58 0.93 -1.16 0.00 0.00 179.01 180.72 1mux h GLU 7 N -0.02 0.48 0.17 2.33 3.07 -1.96 -1.64 114.58 117.01 1mux h GLU 7 Ca -0.26 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.58 1mux h GLU 7 Cb 2.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.79 1mux h GLU 7 CO 0.21 0.31 -0.23 1.96 -1.40 0.00 0.00 179.01 179.86 1mux h GLN 8 N 0.49 -0.44 -0.48 2.33 1.08 -1.88 -0.36 115.11 115.83 1mux h GLN 8 Ca 0.46 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.72 1mux h GLN 8 Cb 1.02 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 1mux h GLN 8 CO -0.19 -0.30 0.32 0.82 -0.95 0.00 0.00 178.83 178.54 1mux h ILE 9 N -0.46 1.05 0.00 2.54 2.04 -1.48 -0.24 117.51 120.97 1mux h ILE 9 Ca 0.01 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1mux h ILE 9 Cb 0.46 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1mux h ILE 9 CO -0.09 0.10 -0.31 0.00 0.00 0.00 0.00 178.15 177.84 1mux h ALA 10 N 1.72 1.29 0.14 1.87 0.00 -0.70 -2.17 119.26 121.40 1mux h ALA 10 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1mux h ALA 10 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1mux h ALA 10 CO -0.05 0.39 -0.06 1.49 0.00 0.00 0.00 179.25 181.02 1mux h GLU 11 N 0.00 -0.17 -0.54 0.00 4.81 0.59 -2.54 114.58 116.72 1mux h GLU 11 Ca -0.00 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1mux h GLU 11 Cb 0.63 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1mux h GLU 11 CO 0.04 0.29 0.25 0.74 -0.73 0.00 0.00 179.01 179.60 1mux h PHE 12 N -0.80 0.46 -0.90 0.92 0.04 -1.44 -1.26 116.94 113.95 1mux h PHE 12 Ca -0.02 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1mux h PHE 12 Cb 0.54 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.50 1mux h PHE 12 CO 0.09 0.20 0.55 -0.22 -0.60 0.00 0.00 178.31 178.33 1mux h LYS 13 N 0.48 0.91 -0.09 1.51 3.64 -1.44 -2.13 116.57 119.44 1mux h LYS 13 Ca 0.25 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1mux h LYS 13 Cb 0.19 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1mux h LYS 13 CO -0.19 0.60 -0.18 1.49 -2.27 0.00 0.00 179.45 178.89 1mux h GLU 14 N 0.94 -0.24 -0.38 1.90 4.81 -0.79 -2.15 114.58 118.67 1mux h GLU 14 Ca 0.42 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.74 1mux h GLU 14 Cb 0.31 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 1mux h GLU 14 CO -0.22 -0.16 -0.10 0.00 -0.73 0.00 0.00 179.01 177.80 1mux h ALA 15 N 0.74 0.24 -0.69 2.92 0.00 -1.13 -1.00 119.26 120.35 1mux h ALA 15 Ca 0.09 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1mux h ALA 15 Cb 0.37 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1mux h ALA 15 CO -0.24 -0.46 0.21 0.35 0.00 0.00 0.00 179.25 179.11 1mux h PHE 16 N -0.01 0.35 -0.86 0.00 3.04 -1.11 0.90 116.94 119.25 1mux h PHE 16 Ca 0.18 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.27 1mux h PHE 16 Cb 0.29 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 1mux h PHE 16 CO -0.35 0.00 0.50 0.77 -2.02 0.00 0.00 178.31 177.22 1mux h SER 17 N 0.34 0.73 -0.49 0.41 0.02 -0.58 0.77 113.55 114.74 1mux h SER 17 Ca 0.37 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1mux h SER 17 Cb 0.57 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1mux h SER 17 CO -0.42 0.41 0.33 0.25 -1.14 0.00 0.00 176.83 176.26 1mux h LEU 18 N 0.84 0.48 0.00 5.07 6.46 -0.41 -3.24 115.31 124.51 1mux h LEU 18 Ca 0.41 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1mux h LEU 18 Cb 0.38 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1mux h LEU 18 CO -0.25 0.34 -0.00 -0.26 -0.62 0.00 0.00 178.44 177.65 1mux h PHE 19 N 0.56 -0.00 -0.43 1.25 -1.00 -0.44 -3.40 116.94 113.48 1mux h PHE 19 Ca 0.20 -0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.85 1mux h PHE 19 Cb 0.09 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1mux h PHE 19 CO -0.00 -0.00 0.57 -3.47 -1.61 0.00 0.00 178.31 173.80 1mux n ASP 20 N -2.01 1.32 0.08 2.17 -0.08 -0.66 -4.69 116.55 112.68 1mux n ASP 20 Ca -0.00 -1.18 -0.04 0.00 -1.51 0.00 0.00 54.79 52.06 1mux n ASP 20 Cb 0.00 -1.46 -0.08 0.00 2.34 0.00 0.00 41.12 41.92 1mux n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1mux h LYS 21 N 13.26 0.00 -0.00 -0.67 1.57 -1.79 -3.31 116.57 125.63 1mux h LYS 21 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1mux h LYS 21 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1mux h LYS 21 CO 1.13 0.77 -0.74 -0.40 -0.57 0.00 0.00 179.45 179.64 1mux n ASP 22 N -3.26 0.79 -3.06 0.86 5.68 -1.26 -5.02 116.55 111.28 1mux n ASP 22 Ca -0.01 -0.89 -0.09 0.00 -0.50 0.00 0.00 54.79 53.29 1mux n ASP 22 Cb 0.88 0.98 0.04 0.00 -1.14 0.00 0.00 41.12 41.89 1mux n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 23 N 1.37 -1.06 0.05 6.12 0.00 -1.25 -4.92 105.19 105.50 1mux n GLY 23 Ca 0.03 0.49 0.11 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.65 0.65 0.00 1.61 5.68 -1.26 -4.94 116.55 115.64 1mux n ASP 24 Ca -0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1mux n ASP 24 Cb 0.57 0.60 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 1mux n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 25 N 1.33 1.11 3.72 6.12 0.00 -1.26 -5.08 105.19 111.13 1mux n GLY 25 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.21 2.61 -4.23 -1.26 -4.51 115.64 106.04 1mux s THR 26 Ca 0.00 -1.18 -0.07 0.00 -1.18 0.00 0.00 61.69 59.26 1mux s THR 26 Cb 0.00 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1mux s THR 26 CO 0.00 -0.00 0.06 -0.63 -0.54 0.00 0.00 174.62 173.51 1mux s ILE 27 N -3.96 4.51 0.11 2.99 1.01 -1.03 -4.89 121.20 119.94 1mux s ILE 27 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1mux s ILE 27 Cb -0.03 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.38 1mux s ILE 27 CO 0.08 0.40 0.08 0.35 0.00 0.00 0.00 174.94 175.85 1mux n THR 28 N 4.18 0.00 0.14 2.92 -2.24 -1.26 -2.37 114.28 115.65 1mux n THR 28 Ca -0.16 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1mux n THR 28 Cb 0.52 -0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.56 0.93 0.34 4.28 1.35 -1.97 -2.66 112.91 115.73 1mux h THR 29 Ca -0.07 -2.22 -0.02 0.00 -0.55 0.00 0.00 66.41 63.55 1mux h THR 29 Cb 0.26 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1mux h THR 29 CO 0.11 0.51 -0.16 0.11 -0.25 0.00 0.00 175.52 175.84 1mux h LYS 30 N 0.00 -0.44 -0.19 4.72 1.57 -1.98 0.12 116.57 120.37 1mux h LYS 30 Ca -0.01 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1mux h LYS 30 Cb 1.36 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 1mux h LYS 30 CO 0.07 -0.13 0.10 0.93 -0.57 0.00 0.00 179.45 179.85 1mux h GLU 31 N -0.97 0.21 0.00 3.15 5.08 -1.94 -0.63 114.58 119.49 1mux h GLU 31 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1mux h GLU 31 Cb 0.51 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1mux h GLU 31 CO 0.08 0.14 -0.07 1.25 -1.00 0.00 0.00 179.01 179.41 1mux h LEU 32 N 0.22 0.00 -0.48 1.33 5.85 -1.54 -1.79 115.31 118.91 1mux h LEU 32 Ca 0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1mux h LEU 32 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1mux h LEU 32 CO -0.04 0.07 0.22 1.23 -0.34 0.00 0.00 178.44 179.58 1mux h GLY 33 N 0.32 0.74 2.00 3.75 0.00 0.85 -1.94 103.07 108.80 1mux h GLY 33 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1mux h GLY 33 CO 0.01 0.36 -0.41 -0.84 0.00 0.00 0.00 176.54 175.66 1mux h THR 34 N 0.63 1.01 -0.49 4.70 2.02 -1.01 -0.85 112.91 118.93 1mux h THR 34 Ca 0.16 -1.55 -0.11 0.00 0.77 0.00 0.00 66.41 65.68 1mux h THR 34 Cb 0.13 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1mux h THR 34 CO -0.02 0.40 -0.13 0.58 0.37 0.00 0.00 175.52 176.72 1mux h VAL 35 N 0.00 1.27 0.00 3.16 2.07 -0.86 -0.30 116.25 121.58 1mux h VAL 35 Ca -0.00 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1mux h VAL 35 Cb 0.88 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1mux h VAL 35 CO 0.05 0.43 -0.97 0.24 0.02 0.00 0.00 177.57 177.35 1mux h MET 36 N 0.82 0.00 0.00 1.57 2.86 -1.25 -3.33 114.93 115.60 1mux h MET 36 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1mux h MET 36 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1mux h MET 36 CO 0.05 0.01 -0.68 -2.13 1.06 0.00 0.00 176.91 175.21 1mux n ARG 37 N -2.70 0.20 0.36 1.72 0.63 -0.34 -2.83 116.66 113.69 1mux n ARG 37 Ca -0.00 0.04 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 1mux n ARG 37 Cb 0.56 -1.61 -0.07 0.00 0.45 0.00 0.00 32.46 31.79 1mux n ARG 37 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1mux h SER 38 N 0.00 -0.80 -1.01 6.15 4.64 -1.16 -3.39 113.55 117.98 1mux h SER 38 Ca 0.00 0.02 -0.42 0.00 -0.47 0.00 0.00 61.79 60.92 1mux h SER 38 Cb 0.66 0.21 -0.41 0.00 -0.31 0.00 0.00 62.40 62.55 1mux h SER 38 CO 0.00 -0.43 -1.03 0.00 -0.87 0.00 0.00 176.83 174.51 1mux n LEU 39 N -5.41 2.65 -2.42 5.97 -0.00 -1.26 -4.82 117.00 111.72 1mux n LEU 39 Ca -0.12 -4.08 -0.03 0.00 -0.00 0.00 0.00 56.01 51.78 1mux n LEU 39 Cb 0.38 0.13 0.08 0.00 -0.00 0.00 0.00 43.42 44.01 1mux n LEU 39 CO 0.30 1.70 0.52 0.61 -0.00 0.00 0.00 177.39 180.52 1mux n GLY 40 N -0.33 0.80 3.56 1.47 0.00 -1.13 -5.08 105.19 104.49 1mux n GLY 40 Ca 0.20 -0.10 -0.54 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.85 1.14 0.05 1.61 0.00 -1.23 -4.29 117.38 113.81 1mux n GLN 41 Ca -0.12 0.37 0.00 0.00 -0.00 0.00 0.00 57.00 57.25 1mux n GLN 41 Cb 0.75 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 28.73 1mux n GLN 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1mux n ASN 42 N 7.56 -0.96 -4.73 1.69 2.85 -1.26 -5.10 115.26 115.31 1mux n ASN 42 Ca 0.34 0.51 -0.30 0.00 -0.11 0.00 0.00 54.58 55.03 1mux n ASN 42 Cb 0.17 1.22 0.14 0.00 1.24 0.00 0.00 39.78 42.55 1mux n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1mux s PRO 43 N -1.83 1.27 0.00 1.20 0.04 -1.26 -5.08 135.00 129.34 1mux s PRO 43 Ca 0.00 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1mux s PRO 43 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1mux s PRO 43 CO 0.00 -2.21 0.00 2.41 0.04 0.00 0.00 177.00 177.24 1mux n THR 44 N -3.85 0.00 -0.04 1.26 -1.04 -1.26 -4.97 114.28 104.38 1mux n THR 44 Ca 0.07 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.87 1mux n THR 44 Cb 0.56 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.94 1mux n THR 44 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1mux n GLU 45 N 0.00 0.72 0.20 -2.82 0.28 -1.26 -3.63 120.64 114.12 1mux n GLU 45 Ca 0.00 0.27 -0.09 0.00 -0.16 0.00 0.00 57.16 57.19 1mux n GLU 45 Cb 0.00 -1.67 -0.04 0.00 1.43 0.00 0.00 31.44 31.16 1mux n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mux h ALA 46 N -0.03 -0.60 -1.09 -1.84 0.00 -2.00 -2.66 119.26 111.03 1mux h ALA 46 Ca -0.46 -0.12 0.31 0.00 0.00 0.00 0.00 54.91 54.64 1mux h ALA 46 Cb 1.92 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 1mux h ALA 46 CO 0.01 -0.56 0.78 0.93 0.00 0.00 0.00 179.25 180.41 1mux h GLU 47 N -1.08 0.03 0.17 0.00 4.39 -1.98 0.11 114.58 116.22 1mux h GLU 47 Ca -0.06 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1mux h GLU 47 Cb 0.43 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1mux h GLU 47 CO 0.09 0.02 -0.08 1.25 -1.16 0.00 0.00 179.01 179.14 1mux h LEU 48 N 0.03 -0.19 -1.10 1.33 6.46 -1.60 -2.51 115.31 117.73 1mux h LEU 48 Ca 0.53 -0.20 0.23 0.00 -0.12 0.00 0.00 57.88 58.32 1mux h LEU 48 Cb 2.04 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 41.91 1mux h LEU 48 CO -0.03 0.10 0.62 1.56 -0.62 0.00 0.00 178.44 180.07 1mux h GLN 49 N -0.48 0.58 -0.36 1.25 4.20 -0.43 0.19 115.11 120.06 1mux h GLN 49 Ca -0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1mux h GLN 49 Cb 0.37 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1mux h GLN 49 CO 0.04 0.38 0.22 -0.44 -0.67 0.00 0.00 178.83 178.36 1mux h ASP 50 N 0.60 0.43 0.47 1.46 5.19 -1.16 -0.39 116.42 123.02 1mux h ASP 50 Ca 0.61 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1mux h ASP 50 Cb 1.17 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1mux h ASP 50 CO -0.39 0.36 0.00 -0.03 -3.12 0.00 0.00 179.24 176.05 1mux h MET 51 N 0.47 0.00 0.00 3.56 4.05 -0.26 -1.99 114.93 120.76 1mux h MET 51 Ca 0.13 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.32 1mux h MET 51 Cb 0.01 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.77 1mux h MET 51 CO -0.02 0.00 -1.30 0.82 0.23 0.00 0.00 176.91 176.63 1mux h ILE 52 N 0.00 1.07 -0.69 1.77 1.08 -0.02 -3.32 117.51 117.40 1mux h ILE 52 Ca 0.00 -2.76 -0.03 0.00 -0.39 0.00 0.00 64.86 61.68 1mux h ILE 52 Cb 0.23 2.49 -0.03 0.00 -3.07 0.00 0.00 36.82 36.44 1mux h ILE 52 CO 0.00 0.61 0.32 0.78 -0.69 0.00 0.00 178.15 179.17 1mux h ASN 53 N 0.00 0.91 0.61 1.72 2.35 -0.44 0.10 115.58 120.82 1mux h ASN 53 Ca -0.15 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 1mux h ASN 53 Cb 1.80 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 1mux h ASN 53 CO 0.09 0.80 -0.17 1.05 -1.65 0.00 0.00 177.43 177.54 1mux h GLU 54 N 0.96 0.00 -0.01 0.81 4.11 -1.68 -2.16 114.58 116.62 1mux h GLU 54 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1mux h GLU 54 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1mux h GLU 54 CO -0.03 0.17 -0.46 0.28 0.07 0.00 0.00 179.01 179.05 1mux n VAL 55 N -3.53 0.00 -3.77 -1.06 0.31 -0.70 -4.71 118.33 104.87 1mux n VAL 55 Ca -0.01 -0.09 -0.36 0.00 -0.01 0.00 0.00 64.34 63.87 1mux n VAL 55 Cb 0.33 0.54 -0.11 0.00 -0.91 0.00 0.00 33.84 33.68 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 -2.73 5.24 -0.33 4.52 2.15 -0.06 -4.91 116.67 120.56 1mux s ASP 56 Ca 0.17 -2.15 0.09 0.00 0.43 0.00 0.00 52.55 51.10 1mux s ASP 56 Cb 0.18 -1.83 0.69 0.00 -0.30 0.00 0.00 42.92 41.66 1mux s ASP 56 CO 0.63 -0.52 1.75 0.00 -0.17 0.00 0.00 175.17 176.86 1mux n ALA 57 N 4.44 4.59 -0.13 3.66 0.00 -1.26 -4.45 120.51 127.35 1mux n ALA 57 Ca -0.01 -2.55 -0.28 0.00 0.00 0.00 0.00 53.44 50.61 1mux n ALA 57 Cb 0.41 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 1mux n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mux n ASP 58 N -0.49 1.95 0.00 0.00 2.03 -1.26 -5.03 116.55 113.75 1mux n ASP 58 Ca 0.42 0.31 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1mux n ASP 58 Cb 1.35 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1mux n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mux n GLY 59 N 1.36 1.11 0.20 0.27 0.00 -1.26 -4.95 105.19 101.92 1mux n GLY 59 Ca -0.51 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 1mux n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1mux h ASN 60 N 1.31 0.39 0.00 1.61 -1.07 -1.96 -3.48 115.58 112.38 1mux h ASN 60 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.18 1mux h ASN 60 Cb 0.00 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.14 1mux h ASN 60 CO 0.00 0.82 0.00 0.61 0.07 0.00 0.00 177.43 178.93 1mux n GLY 61 N 0.07 2.83 3.72 9.14 0.00 -1.26 -5.07 105.19 114.62 1mux n GLY 61 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 2.63 0.20 2.61 -4.23 -1.26 -4.74 115.64 110.85 1mux s THR 62 Ca 0.00 0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1mux s THR 62 Cb 0.00 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 1mux s THR 62 CO 0.00 -0.27 0.32 -0.63 -0.54 0.00 0.00 174.62 173.50 1mux s ILE 63 N -2.95 5.26 0.00 2.99 1.01 -1.00 -4.90 121.20 121.61 1mux s ILE 63 Ca 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1mux s ILE 63 Cb -0.18 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1mux s ILE 63 CO 0.57 -0.22 0.00 0.47 0.00 0.00 0.00 174.94 175.75 1mux n ASP 64 N -1.01 1.17 0.02 3.58 8.00 -1.26 -2.45 116.55 124.60 1mux n ASP 64 Ca -0.08 -1.00 -0.18 0.00 0.71 0.00 0.00 54.79 54.24 1mux n ASP 64 Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.58 0.53 0.00 1.24 3.57 -2.00 -2.86 116.94 118.00 1mux h PHE 65 Ca 0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1mux h PHE 65 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1mux h PHE 65 CO 0.00 1.21 0.00 -1.00 -2.23 0.00 0.00 178.31 176.29 1mux h PRO 66 N -0.31 0.00 0.02 6.41 0.13 -1.98 -2.73 132.00 133.55 1mux h PRO 66 Ca -0.10 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.77 1mux h PRO 66 Cb 1.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.55 1mux h PRO 66 CO 0.13 0.00 -1.36 0.93 -0.23 0.00 0.00 178.00 177.46 1mux h GLU 67 N 0.00 0.04 -0.02 0.86 5.08 -1.96 -2.29 114.58 116.29 1mux h GLU 67 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1mux h GLU 67 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1mux h GLU 67 CO 0.00 0.82 -0.04 0.35 -1.00 0.00 0.00 179.01 179.13 1mux h PHE 68 N 0.01 0.09 0.00 4.33 3.04 -1.24 -1.78 116.94 121.39 1mux h PHE 68 Ca -0.16 -0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.59 1mux h PHE 68 Cb 1.90 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.37 1mux h PHE 68 CO 0.01 0.63 -0.81 1.25 -2.02 0.00 0.00 178.31 177.37 1mux h LEU 69 N -0.47 0.00 -0.21 0.59 5.85 -1.64 -2.81 115.31 116.61 1mux h LEU 69 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1mux h LEU 69 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1mux h LEU 69 CO 0.01 0.81 0.00 0.74 -0.34 0.00 0.00 178.44 179.66 1mux h THR 70 N 0.00 0.00 0.00 1.05 2.02 -1.46 -2.14 112.91 112.38 1mux h THR 70 Ca -0.01 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 1mux h THR 70 Cb 1.45 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 1mux h THR 70 CO 0.10 0.00 -0.83 -0.03 0.37 0.00 0.00 175.52 175.13 1mux h MET 71 N 0.00 0.01 0.00 6.66 1.85 -1.28 -3.31 114.93 118.86 1mux h MET 71 Ca 0.00 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1mux h MET 71 Cb 0.91 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.94 1mux h MET 71 CO 0.00 1.01 -0.16 0.52 -0.40 0.00 0.00 176.91 177.87 1mux h MET 72 N -0.98 0.00 -1.14 0.39 2.86 -1.61 -3.31 114.93 111.14 1mux h MET 72 Ca -0.23 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.73 1mux h MET 72 Cb 1.21 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.78 1mux h MET 72 CO -0.13 0.03 0.75 0.00 1.06 0.00 0.00 176.91 178.62 1mux h ALA 73 N -0.97 2.50 -1.80 6.32 0.00 -1.59 -1.70 119.26 122.02 1mux h ALA 73 Ca -0.00 0.06 -0.71 0.00 0.00 0.00 0.00 54.91 54.25 1mux h ALA 73 Cb 0.18 0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.72 1mux h ALA 73 CO -0.00 -0.95 0.26 0.54 0.00 0.00 0.00 179.25 179.09 1mux n ARG 74 N -4.57 4.25 0.13 0.00 1.74 -1.24 -4.77 116.66 112.20 1mux n ARG 74 Ca 0.28 -4.72 -0.01 0.00 -0.77 0.00 0.00 57.85 52.63 1mux n ARG 74 Cb 1.08 -2.38 0.11 0.00 -1.02 0.00 0.00 32.46 30.25 1mux n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1mux h LYS 75 N 3.97 0.00 0.00 5.56 3.11 -1.39 -3.36 116.57 124.46 1mux h LYS 75 Ca 0.32 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1mux h LYS 75 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1mux h LYS 75 CO 1.04 0.66 -0.20 0.00 -2.81 0.00 0.00 179.45 178.15 1mux n MET 76 N -3.59 0.00 -3.87 1.90 0.00 -1.26 -5.00 117.12 105.30 1mux n MET 76 Ca -0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 57.70 56.75 1mux n MET 76 Cb 0.69 -0.45 -0.14 0.00 0.00 0.00 0.00 33.22 33.32 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 0.00 1.54 0.84 3.17 2.36 -1.26 -5.11 119.74 121.28 1mux s LYS 77 Ca 0.00 -2.12 -0.12 0.00 -2.55 0.00 0.00 55.97 51.18 1mux s LYS 77 Cb 0.00 -2.87 0.10 0.00 -1.05 0.00 0.00 37.83 34.01 1mux s LYS 77 CO 0.00 -1.07 1.15 -0.51 1.55 0.00 0.00 175.35 176.47 1mux s ASP 78 N 0.36 4.17 -0.14 1.43 1.01 -1.26 -4.76 116.67 117.48 1mux s ASP 78 Ca 0.15 0.91 0.06 0.00 0.71 0.00 0.00 52.55 54.38 1mux s ASP 78 Cb -0.23 -1.47 -0.23 0.00 1.01 0.00 0.00 42.92 41.99 1mux s ASP 78 CO -0.04 -2.13 0.29 0.41 0.21 0.00 0.00 175.17 173.91 1mux n THR 79 N -3.48 1.60 -3.59 -1.27 -1.04 -1.26 -5.01 114.28 100.23 1mux n THR 79 Ca 0.07 -0.72 -0.23 0.00 -2.04 0.00 0.00 64.05 61.13 1mux n THR 79 Cb 0.60 -1.21 0.05 0.00 -1.82 0.00 0.00 70.33 67.94 1mux n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1mux n ASP 80 N -3.16 -3.59 0.00 8.00 2.03 -1.26 -4.88 116.55 113.69 1mux n ASP 80 Ca -0.30 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.16 1mux n ASP 80 Cb 1.06 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 1mux n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1mux n SER 81 N -2.99 0.24 -2.42 1.67 7.64 -1.26 -5.02 113.62 111.48 1mux n SER 81 Ca -0.19 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.53 1mux n SER 81 Cb 0.64 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.83 1mux n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1mux n GLU 82 N -2.28 -1.99 -1.59 1.43 2.13 -1.26 -4.84 120.64 112.25 1mux n GLU 82 Ca 0.00 0.78 -0.30 0.00 0.66 0.00 0.00 57.16 58.30 1mux n GLU 82 Cb 0.09 -5.41 -0.05 0.00 0.27 0.00 0.00 31.44 26.33 1mux n GLU 82 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1mux n GLU 83 N -2.90 3.09 -0.00 5.31 1.02 -1.26 -4.38 120.64 121.51 1mux n GLU 83 Ca -0.19 -2.54 -0.00 0.00 -0.02 0.00 0.00 57.16 54.40 1mux n GLU 83 Cb 0.65 -2.31 -0.11 0.00 -0.02 0.00 0.00 31.44 29.65 1mux n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mux n GLU 84 N 1.41 0.64 -0.21 3.49 1.02 -1.26 -4.26 120.64 121.47 1mux n GLU 84 Ca 0.54 0.10 0.01 0.00 -0.02 0.00 0.00 57.16 57.79 1mux n GLU 84 Cb 0.48 -1.70 0.12 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.00 0.66 -0.48 -3.67 1.08 -2.00 -1.04 117.51 112.06 1mux h ILE 85 Ca -0.22 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1mux h ILE 85 Cb 1.64 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 1mux h ILE 85 CO 0.03 0.06 0.23 -0.09 -0.69 0.00 0.00 178.15 177.69 1mux h ARG 86 N 0.31 0.69 -0.88 2.37 9.65 -1.94 -2.27 114.38 122.31 1mux h ARG 86 Ca 0.33 -0.10 0.14 0.00 -1.10 0.00 0.00 59.98 59.25 1mux h ARG 86 Cb 0.48 -0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 1mux h ARG 86 CO -0.39 0.58 0.57 0.93 2.80 0.00 0.00 179.97 184.46 1mux h GLU 87 N 0.63 0.68 0.36 0.20 5.08 -1.40 -2.20 114.58 117.93 1mux h GLU 87 Ca 0.16 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1mux h GLU 87 Cb 0.12 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1mux h GLU 87 CO -0.02 0.45 -0.17 0.00 -1.00 0.00 0.00 179.01 178.26 1mux h ALA 88 N 1.60 -0.72 -1.13 3.43 0.00 -0.79 -2.80 119.26 118.84 1mux h ALA 88 Ca 0.44 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.57 1mux h ALA 88 Cb 0.70 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1mux h ALA 88 CO -0.20 -0.68 0.98 0.35 0.00 0.00 0.00 179.25 179.70 1mux h PHE 89 N -0.74 0.00 0.19 0.00 3.57 -1.28 0.29 116.94 118.97 1mux h PHE 89 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1mux h PHE 89 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1mux h PHE 89 CO 0.05 0.00 -0.09 0.00 -2.23 0.00 0.00 178.31 176.04 1mux h ARG 90 N 0.00 -0.25 0.00 1.11 2.47 -1.30 -0.49 114.38 115.92 1mux h ARG 90 Ca 0.54 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1mux h ARG 90 Cb 2.50 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 30.88 1mux h ARG 90 CO -0.01 0.15 -0.01 -0.39 0.56 0.00 0.00 179.97 180.28 1mux h VAL 91 N -0.85 0.13 0.00 2.04 -1.51 -0.71 -1.01 116.25 114.34 1mux h VAL 91 Ca -0.03 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1mux h VAL 91 Cb 0.52 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1mux h VAL 91 CO 0.04 0.01 -1.08 0.49 -1.23 0.00 0.00 177.57 175.81 1mux n PHE 92 N -3.25 0.42 -3.26 5.19 3.72 -0.66 -4.46 117.46 115.16 1mux n PHE 92 Ca -0.02 0.12 -0.26 0.00 -0.05 0.00 0.00 57.45 57.24 1mux n PHE 92 Cb 0.12 -0.57 -0.07 0.00 -0.94 0.00 0.00 39.48 38.02 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 -2.15 3.09 -0.80 4.37 2.03 -0.20 -4.56 116.55 118.33 1mux n ASP 93 Ca 0.01 -3.34 0.12 0.00 0.52 0.00 0.00 54.79 52.11 1mux n ASP 93 Cb 0.47 -0.64 0.29 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.66 2.07 0.01 -0.67 2.85 -1.20 -4.01 118.16 117.88 1mux n LYS 94 Ca 0.28 -1.59 0.11 0.00 -1.05 0.00 0.00 58.31 56.06 1mux n LYS 94 Cb 0.44 -1.46 -0.01 0.00 -0.65 0.00 0.00 35.03 33.35 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 0.87 0.65 -0.18 -5.58 5.68 -1.26 -4.97 116.55 111.76 1mux n ASP 95 Ca 0.17 -0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1mux n ASP 95 Cb 0.48 0.90 0.00 0.00 -1.14 0.00 0.00 41.12 41.36 1mux n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mux n GLY 96 N 1.41 1.01 0.07 6.12 0.00 -1.26 -5.02 105.19 107.51 1mux n GLY 96 Ca 0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 0.98 1.59 0.00 1.61 4.05 -1.26 -5.03 115.26 117.20 1mux n ASN 97 Ca 0.00 0.49 0.00 0.00 0.45 0.00 0.00 54.58 55.52 1mux n ASN 97 Cb 0.29 -0.79 0.00 0.00 1.23 0.00 0.00 39.78 40.52 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 1.58 1.35 3.01 8.20 0.00 -1.26 -5.11 105.19 112.96 1mux n GLY 98 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.14 0.53 0.35 1.61 1.51 -1.26 -4.66 117.35 114.28 1mux s TYR 99 Ca 0.00 -0.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.43 1mux s TYR 99 Cb 0.00 -0.33 -0.09 0.00 -0.11 0.00 0.00 41.96 41.43 1mux s TYR 99 CO 0.00 -0.07 1.07 0.42 -1.11 0.00 0.00 175.55 175.86 1mux s ILE 100 N -0.99 3.60 0.16 2.71 1.01 -0.33 -4.85 121.20 122.51 1mux s ILE 100 Ca -0.07 1.39 0.06 0.00 0.00 0.00 0.00 60.65 62.03 1mux s ILE 100 Cb -0.07 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1mux s ILE 100 CO 0.00 0.16 -0.13 -0.94 0.00 0.00 0.00 174.94 174.04 1mux s SER 101 N -1.26 2.14 0.60 3.58 1.04 -1.26 -2.58 113.70 115.95 1mux s SER 101 Ca 0.52 -0.98 0.29 0.00 0.48 0.00 0.00 55.95 56.27 1mux s SER 101 Cb -0.27 -0.07 1.70 0.00 0.10 0.00 0.00 66.02 67.48 1mux s SER 101 CO 0.34 -0.23 2.11 0.00 0.98 0.00 0.00 173.24 176.44 1mux h ALA 102 N 2.84 1.74 0.14 5.32 0.00 -1.94 -2.15 119.26 125.21 1mux h ALA 102 Ca -0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1mux h ALA 102 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mux h ALA 102 CO 0.60 -0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1mux h ALA 103 N 1.77 -0.29 -0.96 0.00 0.00 -1.99 -2.45 119.26 115.33 1mux h ALA 103 Ca 0.08 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.17 1mux h ALA 103 Cb 0.46 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1mux h ALA 103 CO -0.00 -0.28 0.53 0.93 0.00 0.00 0.00 179.25 180.43 1mux h GLU 104 N -0.60 0.54 -0.76 0.00 5.08 -1.83 0.22 114.58 117.22 1mux h GLU 104 Ca -0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1mux h GLU 104 Cb 0.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1mux h GLU 104 CO 0.03 0.36 0.26 1.25 -1.00 0.00 0.00 179.01 179.91 1mux h LEU 105 N 0.55 1.09 -1.47 1.33 6.46 -1.49 -2.29 115.31 119.51 1mux h LEU 105 Ca 0.60 -0.20 0.04 0.00 -0.12 0.00 0.00 57.88 58.20 1mux h LEU 105 Cb 1.10 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1mux h LEU 105 CO -0.47 0.99 0.40 -0.09 -0.62 0.00 0.00 178.44 178.65 1mux h ARG 106 N 1.13 0.67 0.00 1.25 9.65 -0.07 -0.96 114.38 126.04 1mux h ARG 106 Ca 0.25 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1mux h ARG 106 Cb 0.28 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1mux h ARG 106 CO -0.01 0.44 -0.42 0.45 2.80 0.00 0.00 179.97 183.23 1mux h HIS 107 N 0.69 0.00 0.06 2.20 3.86 -1.03 -3.06 115.15 117.88 1mux h HIS 107 Ca 0.24 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.19 1mux h HIS 107 Cb 0.11 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.60 1mux h HIS 107 CO -0.00 0.42 -1.12 0.28 0.86 0.00 0.00 177.93 178.37 1mux h VAL 108 N 0.00 1.35 0.00 2.45 2.07 -0.67 -3.25 116.25 118.20 1mux h VAL 108 Ca -0.00 -2.50 -0.08 0.00 0.82 0.00 0.00 66.70 64.94 1mux h VAL 108 Cb 1.19 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1mux h VAL 108 CO 0.05 0.75 -0.38 0.24 0.02 0.00 0.00 177.57 178.25 1mux h MET 109 N 0.26 0.00 -0.34 1.57 2.07 -1.41 -2.71 114.93 114.37 1mux h MET 109 Ca -0.14 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.46 1mux h MET 109 Cb 1.78 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.50 1mux h MET 109 CO 0.21 0.38 0.08 1.79 1.07 0.00 0.00 176.91 180.44 1mux h THR 110 N 0.00 1.22 -0.17 2.22 1.35 -1.57 -2.94 112.91 113.03 1mux h THR 110 Ca -0.00 -0.75 -0.14 0.00 -0.55 0.00 0.00 66.41 64.96 1mux h THR 110 Cb 0.93 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1mux h THR 110 CO 0.05 0.25 -0.46 0.78 -0.25 0.00 0.00 175.52 175.90 1mux h ASN 111 N 0.40 0.69 -0.76 5.36 4.21 -1.61 -3.02 115.58 120.85 1mux h ASN 111 Ca 0.11 -0.58 0.22 0.00 1.21 0.00 0.00 56.30 57.26 1mux h ASN 111 Cb 0.30 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1mux h ASN 111 CO 0.00 1.15 0.82 -0.07 -1.29 0.00 0.00 177.43 178.04 1mux h LEU 112 N 0.27 0.00 -0.40 1.61 3.38 -1.42 -3.44 115.31 115.30 1mux h LEU 112 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mux h LEU 112 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1mux h LEU 112 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1mux n GLY 113 N -1.61 0.79 2.99 0.83 0.00 -1.14 -5.10 105.19 101.94 1mux n GLY 113 Ca 0.16 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.05 0.86 -0.44 1.61 2.02 -1.12 -5.09 118.70 115.49 1mux s GLU 114 Ca 0.00 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 1mux s GLU 114 Cb 0.00 -0.81 0.03 0.00 0.10 0.00 0.00 34.13 33.45 1mux s GLU 114 CO 0.00 0.11 0.53 0.15 0.02 0.00 0.00 175.26 176.06 1mux s LYS 115 N 0.17 3.15 0.39 1.61 -0.14 -1.26 -4.52 119.74 119.14 1mux s LYS 115 Ca -0.02 -0.69 0.01 0.00 -1.36 0.00 0.00 55.97 53.91 1mux s LYS 115 Cb -0.08 -3.99 -0.00 0.00 -1.68 0.00 0.00 37.83 32.08 1mux s LYS 115 CO 0.00 -0.97 0.04 1.28 -0.76 0.00 0.00 175.35 174.95 1mux n LEU 116 N 5.87 0.00 -4.26 3.17 4.32 -1.26 -5.16 117.00 119.68 1mux n LEU 116 Ca -0.06 -2.63 -0.18 0.00 -0.02 0.00 0.00 56.01 53.13 1mux n LEU 116 Cb 0.47 0.49 -0.11 0.00 -1.62 0.00 0.00 43.42 42.65 1mux n LEU 116 CO 0.50 -0.38 -0.45 -0.89 -1.22 0.00 0.00 177.39 174.94 1mux s THR 117 N -2.63 1.38 0.31 -5.08 2.01 -1.26 -5.02 115.64 105.35 1mux s THR 117 Ca 0.06 -1.80 0.07 0.00 0.31 0.00 0.00 61.69 60.33 1mux s THR 117 Cb 0.00 -1.62 0.30 0.00 0.01 0.00 0.00 72.50 71.19 1mux s THR 117 CO 0.04 -0.45 1.73 0.44 -0.69 0.00 0.00 174.62 175.69 1mux h ASP 118 N 3.36 0.60 0.07 3.53 3.32 -2.00 -0.45 116.42 124.86 1mux h ASP 118 Ca -0.40 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1mux h ASP 118 Cb 1.20 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1mux h ASP 118 CO 0.53 0.11 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.80 1mux h GLU 119 N 0.57 -0.09 -0.49 3.56 5.08 -2.00 -2.57 114.58 118.64 1mux h GLU 119 Ca 0.60 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.06 1mux h GLU 119 Cb 1.09 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 1mux h GLU 119 CO -0.47 0.00 0.05 0.93 -1.00 0.00 0.00 179.01 178.53 1mux h GLU 120 N -0.16 0.17 -0.25 2.33 4.39 -1.50 -1.86 114.58 117.70 1mux h GLU 120 Ca -0.01 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1mux h GLU 120 Cb 0.14 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1mux h GLU 120 CO 0.02 0.11 -0.08 0.28 -1.16 0.00 0.00 179.01 178.18 1mux h VAL 121 N 0.17 0.70 -0.81 3.13 2.07 -1.20 -0.40 116.25 119.91 1mux h VAL 121 Ca 0.25 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.93 1mux h VAL 121 Cb 0.35 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1mux h VAL 121 CO -0.36 0.00 0.54 0.44 0.02 0.00 0.00 177.57 178.21 1mux h ASP 122 N -0.03 0.43 -0.20 0.57 3.32 -0.95 -0.99 116.42 118.57 1mux h ASP 122 Ca 0.13 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1mux h ASP 122 Cb 0.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1mux h ASP 122 CO -0.28 0.21 0.09 -0.08 -1.72 0.00 0.00 179.24 177.45 1mux h GLU 123 N 0.44 0.29 0.78 3.56 4.57 -0.57 -1.65 114.58 122.00 1mux h GLU 123 Ca 0.41 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.50 1mux h GLU 123 Cb 0.93 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1mux h GLU 123 CO -0.14 0.34 -0.38 0.52 -1.18 0.00 0.00 179.01 178.17 1mux h MET 124 N 0.17 -1.01 -0.41 1.92 2.86 -0.88 -2.08 114.93 115.50 1mux h MET 124 Ca 0.07 0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.90 1mux h MET 124 Cb 0.15 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1mux h MET 124 CO -0.01 -0.66 0.55 0.82 1.06 0.00 0.00 176.91 178.67 1mux h ILE 125 N -1.21 0.25 0.01 -1.22 1.08 -1.37 -0.55 117.51 114.50 1mux h ILE 125 Ca -0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1mux h ILE 125 Cb 0.82 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1mux h ILE 125 CO 0.18 0.00 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.45 1mux h ARG 126 N 0.00 0.06 0.00 2.37 2.43 -0.84 -1.84 114.38 116.55 1mux h ARG 126 Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1mux h ARG 126 Cb 1.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1mux h ARG 126 CO -0.00 0.90 0.00 0.93 -1.51 0.00 0.00 179.97 180.29 1mux h GLU 127 N -0.76 0.00 0.14 0.20 5.08 -0.45 -2.57 114.58 116.23 1mux h GLU 127 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.00 1mux h GLU 127 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1mux h GLU 127 CO 0.02 0.00 -1.79 0.00 -1.00 0.00 0.00 179.01 176.24 1mux h ALA 128 N 2.00 0.28 -0.47 3.43 0.00 -1.35 -3.43 119.26 119.73 1mux h ALA 128 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 54.91 53.53 1mux h ALA 128 Cb 0.15 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1mux h ALA 128 CO 0.00 1.10 0.37 0.34 0.00 0.00 0.00 179.25 181.06 1mux s ASP 129 N -7.14 4.38 0.04 0.00 -1.08 -0.70 -4.67 116.67 107.51 1mux s ASP 129 Ca -0.20 -0.48 -0.30 0.00 -0.52 0.00 0.00 52.55 51.06 1mux s ASP 129 Cb 0.06 -2.56 -0.17 0.00 -1.46 0.00 0.00 42.92 38.78 1mux s ASP 129 CO 0.79 -3.51 1.39 0.40 0.52 0.00 0.00 175.17 174.77 1mux h ILE 130 N 7.29 0.32 -0.03 4.11 2.04 -1.82 -2.94 117.51 126.48 1mux h ILE 130 Ca 0.06 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1mux h ILE 130 Cb 1.00 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1mux h ILE 130 CO 1.10 0.03 -0.14 -2.24 0.00 0.00 0.00 178.15 176.89 1mux h ASP 131 N -0.98 0.05 -3.91 1.72 3.04 -1.95 -3.47 116.42 110.91 1mux h ASP 131 Ca -0.08 -0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.69 1mux h ASP 131 Cb 0.68 -0.01 0.01 0.00 -1.04 0.00 0.00 39.33 38.96 1mux h ASP 131 CO 0.14 0.20 -0.04 0.61 -2.04 0.00 0.00 179.24 178.10 1mux n GLY 132 N -1.05 -0.55 0.01 7.15 0.00 -1.11 -5.00 105.19 104.63 1mux n GLY 132 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.41 4.10 0.00 1.61 5.68 -1.26 -5.01 116.55 120.26 1mux n ASP 133 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1mux n ASP 133 Cb 0.51 0.83 0.00 0.00 -1.14 0.00 0.00 41.12 41.31 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 2.58 0.11 3.28 6.12 0.00 -1.26 -5.13 105.19 110.88 1mux n GLY 134 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 0.99 -0.11 1.61 -2.07 -1.26 -4.95 119.66 113.87 1mux s GLN 135 Ca 0.00 -0.84 -0.04 0.00 -1.82 0.00 0.00 55.36 52.66 1mux s GLN 135 Cb 0.00 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1mux s GLN 135 CO 0.00 -0.36 0.03 0.08 -1.32 0.00 0.00 175.29 173.72 1mux s VAL 136 N -3.84 4.52 0.01 3.63 1.01 -1.07 -4.78 120.40 119.89 1mux s VAL 136 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1mux s VAL 136 Cb 0.03 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1mux s VAL 136 CO -0.11 0.58 0.01 -0.46 0.00 0.00 0.00 175.10 175.12 1mux n ASN 137 N 2.45 0.86 0.25 3.32 6.94 -1.26 -1.19 115.26 126.63 1mux n ASN 137 Ca -0.18 -1.05 -0.10 0.00 -0.02 0.00 0.00 54.58 53.22 1mux n ASN 137 Cb 0.53 -0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.41 -0.63 -0.78 -2.53 5.03 -2.00 -2.82 116.97 113.65 1mux h TYR 138 Ca -0.01 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.46 1mux h TYR 138 Cb 0.03 0.21 -0.14 0.00 1.55 0.00 0.00 36.73 38.38 1mux h TYR 138 CO 0.00 -0.39 -0.10 0.93 -1.32 0.00 0.00 178.16 177.28 1mux h GLU 139 N -0.92 0.04 -0.28 1.82 5.08 -1.98 -0.33 114.58 118.01 1mux h GLU 139 Ca -0.07 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1mux h GLU 139 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1mux h GLU 139 CO 0.11 0.03 0.15 0.93 -1.00 0.00 0.00 179.01 179.23 1mux h GLU 140 N 0.04 0.30 0.00 2.33 5.08 -1.87 0.25 114.58 120.71 1mux h GLU 140 Ca 0.41 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1mux h GLU 140 Cb 0.68 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1mux h GLU 140 CO -0.76 0.20 -0.07 0.35 -1.00 0.00 0.00 179.01 177.73 1mux h PHE 141 N 0.31 0.00 0.00 4.33 3.57 -0.85 -2.32 116.94 121.99 1mux h PHE 141 Ca 0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1mux h PHE 141 Cb 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1mux h PHE 141 CO -0.09 0.07 -1.08 0.28 -2.23 0.00 0.00 178.31 175.26 1mux n VAL 142 N -3.46 0.61 0.05 1.41 0.31 -0.42 -3.38 118.33 113.45 1mux n VAL 142 Ca -0.02 -0.55 0.02 0.00 -0.01 0.00 0.00 64.34 63.78 1mux n VAL 142 Cb 0.21 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.03 5.55 4.20 -0.47 -3.12 115.11 121.30 1mux h GLN 143 Ca -0.01 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1mux h GLN 143 Cb 1.03 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1mux h GLN 143 CO 0.00 0.25 -1.67 0.00 -0.67 0.00 0.00 178.83 176.74 1mux h MET 144 N 0.00 0.06 -0.00 1.46 -0.00 -1.59 -3.34 114.93 111.52 1mux h MET 144 Ca -0.13 -0.09 0.00 0.00 -0.00 0.00 0.00 59.70 59.48 1mux h MET 144 Cb 1.47 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 33.11 1mux h MET 144 CO 0.04 0.68 -0.31 -0.12 -0.00 0.00 0.00 176.91 177.20 1mux n MET 145 N -3.16 0.07 -0.20 -0.10 0.00 -1.22 -3.57 117.12 108.94 1mux n MET 145 Ca -0.17 -0.03 0.11 0.00 0.00 0.00 0.00 57.70 57.60 1mux n MET 145 Cb 1.04 -1.50 0.27 0.00 0.00 0.00 0.00 33.22 33.03 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 -1.44 0.53 -3.92 1.12 5.66 -1.18 -4.92 114.28 110.14 1mux n THR 146 Ca 0.07 -0.66 -0.10 0.00 -3.05 0.00 0.00 64.05 60.31 1mux n THR 146 Cb 0.33 0.62 -0.09 0.00 -1.55 0.00 0.00 70.33 69.64 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 -1.47 -0.11 0.00 1.79 0.00 -1.23 -5.06 121.76 115.67 1mux s ALA 147 Ca 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1mux s ALA 147 Cb 0.20 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1mux s ALA 147 CO 0.28 -0.29 0.32 1.63 0.00 0.00 0.00 175.76 177.70