#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncx n SER 2 N 0.00 -0.82 -0.07 0.00 3.41 -1.26 -4.73 113.62 110.14 1ncx n SER 2 Ca 0.00 -1.34 -0.13 0.00 -0.26 0.00 0.00 58.87 57.15 1ncx n SER 2 Cb 0.00 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 62.90 1ncx n SER 2 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1ncx h MET 3 N 0.00 0.46 0.00 4.33 -1.53 -2.05 0.18 114.93 116.33 1ncx h MET 3 Ca -0.41 -0.22 -0.05 0.00 -3.44 0.00 0.00 59.70 55.58 1ncx h MET 3 Cb 1.19 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.23 1ncx h MET 3 CO 0.28 0.77 -0.24 1.79 0.14 0.00 0.00 176.91 179.65 1ncx h THR 4 N 0.15 0.94 -0.09 -0.77 1.35 -1.98 0.15 112.91 112.66 1ncx h THR 4 Ca 0.04 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 1ncx h THR 4 Cb 0.66 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1ncx h THR 4 CO 0.04 0.24 -0.10 0.44 -0.25 0.00 0.00 175.52 175.89 1ncx h ASP 5 N 0.00 0.23 -0.79 5.36 5.19 -1.87 -1.44 116.42 123.10 1ncx h ASP 5 Ca -0.00 -0.49 -0.04 0.00 -0.62 0.00 0.00 57.03 55.87 1ncx h ASP 5 Cb 0.51 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 1ncx h ASP 5 CO 0.03 0.68 0.33 1.56 -3.12 0.00 0.00 179.24 178.72 1ncx h GLN 6 N -0.21 1.18 -0.52 3.56 4.20 -0.21 -1.41 115.11 121.69 1ncx h GLN 6 Ca 0.01 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1ncx h GLN 6 Cb 0.62 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1ncx h GLN 6 CO 0.02 0.95 0.06 1.96 -0.67 0.00 0.00 178.83 181.15 1ncx h GLN 7 N 1.14 0.89 -0.16 1.46 4.20 -0.61 0.14 115.11 122.17 1ncx h GLN 7 Ca 0.27 -0.25 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1ncx h GLN 7 Cb 0.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1ncx h GLN 7 CO -0.02 0.88 -0.40 0.00 -0.67 0.00 0.00 178.83 178.62 1ncx h ALA 8 N 0.97 1.01 -0.06 3.87 0.00 -0.98 -1.33 119.26 122.74 1ncx h ALA 8 Ca 0.16 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1ncx h ALA 8 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ncx h ALA 8 CO 0.02 0.61 -0.70 0.93 0.00 0.00 0.00 179.25 180.10 1ncx h GLU 9 N 0.31 0.29 -0.38 0.00 5.08 -1.04 -2.22 114.58 116.62 1ncx h GLU 9 Ca 0.03 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1ncx h GLU 9 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1ncx h GLU 9 CO 0.07 0.88 -0.13 0.00 -1.00 0.00 0.00 179.01 178.83 1ncx h ALA 10 N 1.06 0.53 -0.10 3.43 0.00 -0.66 -2.09 119.26 121.42 1ncx h ALA 10 Ca -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1ncx h ALA 10 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ncx h ALA 10 CO 0.11 0.42 -0.33 0.00 0.00 0.00 0.00 179.25 179.46 1ncx h ARG 11 N 0.56 0.20 0.00 0.00 3.08 -1.16 -2.60 114.38 114.47 1ncx h ARG 11 Ca 0.09 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1ncx h ARG 11 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1ncx h ARG 11 CO 0.04 0.51 -0.29 0.00 -1.07 0.00 0.00 179.97 179.17 1ncx h ALA 12 N 1.49 1.10 0.00 0.04 0.00 -1.17 -3.04 119.26 117.68 1ncx h ALA 12 Ca 0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1ncx h ALA 12 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ncx h ALA 12 CO 0.05 0.36 -0.34 0.35 0.00 0.00 0.00 179.25 179.67 1ncx h PHE 13 N 0.00 0.00 -3.13 0.00 3.57 -0.97 -3.46 116.94 112.96 1ncx h PHE 13 Ca -0.00 0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.87 1ncx h PHE 13 Cb 0.72 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.34 1ncx h PHE 13 CO 0.00 0.34 -0.65 -0.51 -2.23 0.00 0.00 178.31 175.25 1ncx s LEU 14 N -6.77 3.43 0.63 0.59 1.43 -1.15 -5.12 118.68 111.73 1ncx s LEU 14 Ca 0.01 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 1ncx s LEU 14 Cb 0.10 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ncx s LEU 14 CO 0.68 0.13 1.04 -0.94 0.23 0.00 0.00 176.35 177.50 1ncx s SER 15 N -2.61 5.85 0.34 2.29 1.04 -1.26 -4.90 113.70 114.44 1ncx s SER 15 Ca 0.27 1.60 0.04 0.00 0.48 0.00 0.00 55.95 58.33 1ncx s SER 15 Cb -0.11 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.13 1ncx s SER 15 CO 0.19 -1.13 1.89 -0.08 0.98 0.00 0.00 173.24 175.09 1ncx h GLU 16 N -0.17 0.55 -0.21 4.02 4.57 -2.00 -2.11 114.58 119.24 1ncx h GLU 16 Ca -0.45 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 57.55 1ncx h GLU 16 Cb 1.20 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1ncx h GLU 16 CO 0.59 0.55 -0.21 1.05 -1.18 0.00 0.00 179.01 179.81 1ncx h GLU 17 N 0.53 0.37 -0.51 1.92 9.09 -1.99 -0.67 114.58 123.32 1ncx h GLU 17 Ca 0.12 -0.12 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 1ncx h GLU 17 Cb 0.29 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.34 1ncx h GLU 17 CO 0.01 0.56 -0.09 1.98 0.05 0.00 0.00 179.01 181.52 1ncx h MET 18 N 0.33 0.96 -0.63 1.06 4.05 -1.77 -1.06 114.93 117.87 1ncx h MET 18 Ca 0.06 -0.35 -0.03 0.00 -0.28 0.00 0.00 59.70 59.09 1ncx h MET 18 Cb 0.56 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 1ncx h MET 18 CO 0.04 1.02 0.28 0.82 0.23 0.00 0.00 176.91 179.30 1ncx h ILE 19 N 0.83 1.23 -0.53 1.77 2.04 -0.93 -0.38 117.51 121.54 1ncx h ILE 19 Ca 0.13 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 1ncx h ILE 19 Cb 0.64 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1ncx h ILE 19 CO 0.04 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.42 1ncx h ALA 20 N 1.12 0.93 -0.43 1.87 0.00 -0.94 -0.90 119.26 120.92 1ncx h ALA 20 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ncx h ALA 20 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ncx h ALA 20 CO -0.02 0.63 0.21 1.49 0.00 0.00 0.00 179.25 181.56 1ncx h GLU 21 N 0.85 0.61 -0.73 0.00 4.81 -0.88 -0.27 114.58 118.97 1ncx h GLU 21 Ca 0.15 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ncx h GLU 21 Cb 0.56 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1ncx h GLU 21 CO 0.03 0.52 0.32 0.74 -0.73 0.00 0.00 179.01 179.90 1ncx h PHE 22 N 0.55 1.08 -0.07 0.92 -1.00 -0.84 -2.55 116.94 115.03 1ncx h PHE 22 Ca 0.15 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.76 1ncx h PHE 22 Cb 0.11 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 1ncx h PHE 22 CO -0.01 0.81 -0.40 -0.22 -1.61 0.00 0.00 178.31 176.87 1ncx h LYS 23 N 1.03 0.16 -0.63 1.51 3.64 -0.68 -0.83 116.57 120.76 1ncx h LYS 23 Ca 0.25 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1ncx h LYS 23 Cb 0.16 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1ncx h LYS 23 CO -0.03 0.54 0.34 0.00 -2.27 0.00 0.00 179.45 178.03 1ncx h ALA 24 N 1.46 0.81 -0.04 5.00 0.00 -0.66 0.20 119.26 126.02 1ncx h ALA 24 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ncx h ALA 24 Cb 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ncx h ALA 24 CO 0.06 0.34 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 1ncx h ALA 25 N 1.16 0.06 -0.40 0.00 0.00 -1.19 -3.26 119.26 115.62 1ncx h ALA 25 Ca 0.22 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ncx h ALA 25 Cb 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1ncx h ALA 25 CO -0.03 -0.19 0.00 0.35 0.00 0.00 0.00 179.25 179.38 1ncx h PHE 26 N -0.32 -0.02 -0.07 0.00 3.04 -0.94 -2.26 116.94 116.37 1ncx h PHE 26 Ca 0.01 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.01 1ncx h PHE 26 Cb 0.48 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 1ncx h PHE 26 CO 0.08 -0.08 0.08 -0.44 -2.02 0.00 0.00 178.31 175.93 1ncx h ASP 27 N 0.11 0.00 0.73 0.41 3.32 -1.01 -1.93 116.42 118.06 1ncx h ASP 27 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ncx h ASP 27 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ncx h ASP 27 CO -0.33 0.00 0.00 -0.03 -1.72 0.00 0.00 179.24 177.16 1ncx h MET 28 N 0.00 0.00 -0.01 3.56 1.85 -1.45 -2.58 114.93 116.30 1ncx h MET 28 Ca 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1ncx h MET 28 Cb 0.20 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.23 1ncx h MET 28 CO -0.00 0.00 -0.20 1.19 -0.40 0.00 0.00 176.91 177.50 1ncx n PHE 29 N -2.58 0.00 0.00 1.39 3.01 -0.73 -4.71 117.46 113.84 1ncx n PHE 29 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1ncx n PHE 29 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1ncx n PHE 29 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ncx n ASP 30 N 0.24 0.00 0.00 4.37 -0.08 -0.97 -4.63 116.55 115.47 1ncx n ASP 30 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1ncx n ASP 30 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1ncx n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ncx n ALA 31 N -1.01 0.00 1.26 -1.67 0.00 -1.23 -4.53 120.51 113.33 1ncx n ALA 31 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ncx n ALA 31 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 1ncx n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ncx n ASP 32 N 2.71 0.04 -3.51 0.00 2.03 -1.26 -4.93 116.55 111.64 1ncx n ASP 32 Ca 0.00 0.06 -0.26 0.00 0.52 0.00 0.00 54.79 55.11 1ncx n ASP 32 Cb 0.00 -0.34 0.03 0.00 -0.72 0.00 0.00 41.12 40.09 1ncx n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ncx n GLY 33 N 1.37 -0.51 0.05 0.27 0.00 -1.26 -4.83 105.19 100.27 1ncx n GLY 33 Ca 0.11 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.42 1ncx n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ncx n GLY 34 N -1.57 -1.39 0.67 -0.02 0.00 -1.26 -4.91 105.19 96.71 1ncx n GLY 34 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1ncx n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ncx n GLY 35 N 1.38 0.82 3.21 -0.02 0.00 -1.26 -5.05 105.19 104.27 1ncx n GLY 35 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1ncx n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ncx s ASP 36 N -2.10 0.21 0.21 1.61 1.47 -1.26 -2.36 116.67 114.45 1ncx s ASP 36 Ca 0.00 -0.90 0.04 0.00 1.18 0.00 0.00 52.55 52.87 1ncx s ASP 36 Cb 0.00 0.33 -0.05 0.00 -0.34 0.00 0.00 42.92 42.86 1ncx s ASP 36 CO 0.00 -0.75 -0.03 0.27 0.68 0.00 0.00 175.17 175.34 1ncx s ILE 37 N -3.94 1.07 0.34 2.11 -4.36 -0.74 -4.43 121.20 111.25 1ncx s ILE 37 Ca 0.13 -2.04 -0.28 0.00 -0.26 0.00 0.00 60.65 58.20 1ncx s ILE 37 Cb 0.06 -2.22 -0.09 0.00 1.25 0.00 0.00 42.46 41.46 1ncx s ILE 37 CO -0.05 -0.43 1.17 -0.55 0.24 0.00 0.00 174.94 175.32 1ncx s SER 38 N -3.27 6.87 0.59 4.36 0.15 -1.26 -1.25 113.70 119.89 1ncx s SER 38 Ca 0.25 2.38 0.36 0.00 0.70 0.00 0.00 55.95 59.64 1ncx s SER 38 Cb 0.05 -2.63 1.81 0.00 -1.71 0.00 0.00 66.02 63.54 1ncx s SER 38 CO 0.07 -0.43 2.17 0.71 1.20 0.00 0.00 173.24 176.95 1ncx h THR 39 N 2.77 0.20 0.00 6.45 1.35 -1.67 -1.02 112.91 121.00 1ncx h THR 39 Ca -0.48 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 65.05 1ncx h THR 39 Cb 1.22 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1ncx h THR 39 CO 0.65 0.04 -0.10 0.11 -0.25 0.00 0.00 175.52 175.96 1ncx h LYS 40 N 0.00 0.00 -0.07 4.72 1.79 -1.90 -2.84 116.57 118.26 1ncx h LYS 40 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ncx h LYS 40 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1ncx h LYS 40 CO 0.00 0.10 0.00 0.39 -1.08 0.00 0.00 179.45 178.87 1ncx n GLU 41 N -3.27 2.32 -0.30 3.15 -0.58 -0.39 -4.57 120.64 117.00 1ncx n GLU 41 Ca -0.00 -1.96 -0.04 0.00 -0.42 0.00 0.00 57.16 54.73 1ncx n GLU 41 Cb 0.34 -1.46 0.07 0.00 -0.57 0.00 0.00 31.44 29.82 1ncx n GLU 41 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ncx h LEU 42 N 4.64 0.97 -0.53 -4.62 5.85 -1.47 -2.09 115.31 118.06 1ncx h LEU 42 Ca 0.00 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1ncx h LEU 42 Cb 0.99 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1ncx h LEU 42 CO 0.00 0.74 0.22 1.23 -0.34 0.00 0.00 178.44 180.30 1ncx h GLY 43 N 1.12 0.85 0.88 3.75 0.00 -1.80 -1.30 103.07 106.56 1ncx h GLY 43 Ca 0.29 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1ncx h GLY 43 CO -0.06 0.43 0.08 -0.84 0.00 0.00 0.00 176.54 176.16 1ncx h THR 44 N 0.72 0.97 -0.62 4.70 2.02 -1.77 -1.77 112.91 117.17 1ncx h THR 44 Ca 0.18 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 1ncx h THR 44 Cb 0.18 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1ncx h THR 44 CO -0.02 0.03 0.01 0.58 0.37 0.00 0.00 175.52 176.50 1ncx h VAL 45 N 0.19 1.27 -0.88 3.16 2.07 -1.26 -1.77 116.25 119.02 1ncx h VAL 45 Ca 0.08 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1ncx h VAL 45 Cb 0.04 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1ncx h VAL 45 CO -0.07 0.42 0.45 0.24 0.02 0.00 0.00 177.57 178.63 1ncx h MET 46 N 0.98 1.25 -0.32 1.57 2.86 -1.01 -2.45 114.93 117.81 1ncx h MET 46 Ca 0.18 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1ncx h MET 46 Cb 0.55 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1ncx h MET 46 CO 0.03 0.94 -0.30 0.00 1.06 0.00 0.00 176.91 178.63 1ncx h ARG 47 N 1.24 0.67 -0.46 1.72 3.08 -1.12 -1.04 114.38 118.48 1ncx h ARG 47 Ca 0.31 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1ncx h ARG 47 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1ncx h ARG 47 CO -0.04 0.89 0.20 0.52 -1.07 0.00 0.00 179.97 180.47 1ncx h MET 48 N 0.57 0.64 -0.78 0.04 2.86 -1.13 -1.93 114.93 115.21 1ncx h MET 48 Ca 0.07 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1ncx h MET 48 Cb 0.80 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1ncx h MET 48 CO 0.07 0.52 0.13 1.28 1.06 0.00 0.00 176.91 179.97 1ncx n LEU 49 N -4.38 4.84 0.00 1.22 4.77 -0.94 -4.92 117.00 117.60 1ncx n LEU 49 Ca 0.03 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 1ncx n LEU 49 Cb 0.14 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1ncx n LEU 49 CO 0.37 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1ncx n GLY 50 N 0.15 0.73 3.92 -0.72 0.00 -0.72 -5.03 105.19 103.51 1ncx n GLY 50 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1ncx n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ncx s GLN 51 N -0.00 3.56 -0.48 1.61 -1.52 -0.44 -4.99 119.66 117.40 1ncx s GLN 51 Ca 0.00 -0.21 0.07 0.00 -1.95 0.00 0.00 55.36 53.28 1ncx s GLN 51 Cb 0.00 -2.73 0.25 0.00 -0.22 0.00 0.00 33.01 30.31 1ncx s GLN 51 CO 0.00 0.28 0.61 0.27 -0.25 0.00 0.00 175.29 176.19 1ncx n ASN 52 N -0.99 1.43 -4.78 5.90 6.94 -1.26 -3.83 115.26 118.67 1ncx n ASN 52 Ca -0.04 -2.96 -0.36 0.00 -0.02 0.00 0.00 54.58 51.20 1ncx n ASN 52 Cb 0.54 -0.65 -0.02 0.00 -2.36 0.00 0.00 39.78 37.29 1ncx n ASN 52 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ncx s PRO 53 N -1.67 3.81 0.76 -0.53 0.04 -1.26 -5.04 135.00 131.12 1ncx s PRO 53 Ca 0.37 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1ncx s PRO 53 Cb 0.17 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1ncx s PRO 53 CO -0.08 -0.47 1.13 0.95 0.04 0.00 0.00 177.00 178.58 1ncx s THR 54 N -1.69 2.77 0.25 1.26 -4.23 -1.26 -4.88 115.64 107.85 1ncx s THR 54 Ca 0.64 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 61.36 1ncx s THR 54 Cb -0.24 -3.22 0.15 0.00 1.34 0.00 0.00 72.50 70.53 1ncx s THR 54 CO 0.29 -0.33 1.79 0.11 -0.54 0.00 0.00 174.62 175.94 1ncx h LYS 55 N -0.88 0.98 -0.87 3.99 6.56 -2.00 -1.92 116.57 122.43 1ncx h LYS 55 Ca -0.46 -0.20 -0.00 0.00 -1.06 0.00 0.00 60.65 58.93 1ncx h LYS 55 Cb 1.29 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.76 1ncx h LYS 55 CO 0.64 0.86 0.53 1.49 -2.06 0.00 0.00 179.45 180.91 1ncx h GLU 56 N 0.95 1.18 -0.77 3.15 4.22 -2.00 -0.52 114.58 120.79 1ncx h GLU 56 Ca 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 1ncx h GLU 56 Cb 0.30 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1ncx h GLU 56 CO -0.01 0.82 0.36 0.93 -2.18 0.00 0.00 179.01 178.94 1ncx h GLU 57 N 1.19 1.11 -0.41 1.92 5.08 -1.83 -1.91 114.58 119.74 1ncx h GLU 57 Ca 0.31 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1ncx h GLU 57 Cb -0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1ncx h GLU 57 CO -0.06 0.87 0.02 -0.07 -1.00 0.00 0.00 179.01 178.77 1ncx h LEU 58 N 1.09 0.70 -0.99 1.33 4.07 -0.90 -2.02 115.31 118.58 1ncx h LEU 58 Ca 0.26 -0.29 0.02 0.00 0.08 0.00 0.00 57.88 57.95 1ncx h LEU 58 Cb 0.13 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1ncx h LEU 58 CO -0.03 0.82 0.66 0.44 -1.08 0.00 0.00 178.44 179.24 1ncx h ASP 59 N 0.55 1.12 -0.51 -0.43 3.32 -0.88 -0.37 116.42 119.22 1ncx h ASP 59 Ca 0.12 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1ncx h ASP 59 Cb 0.45 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ncx h ASP 59 CO 0.02 0.79 0.17 0.00 -1.72 0.00 0.00 179.24 178.50 1ncx h ALA 60 N 1.38 0.67 -0.26 3.45 0.00 -1.15 -1.95 119.26 121.41 1ncx h ALA 60 Ca 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ncx h ALA 60 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ncx h ALA 60 CO -0.10 0.33 0.05 0.82 0.00 0.00 0.00 179.25 180.35 1ncx h ILE 61 N 0.70 1.22 -0.65 0.00 2.04 -0.94 -0.35 117.51 119.53 1ncx h ILE 61 Ca 0.17 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1ncx h ILE 61 Cb 0.27 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1ncx h ILE 61 CO -0.01 0.24 0.41 0.40 0.00 0.00 0.00 178.15 179.19 1ncx h ILE 62 N 0.25 1.12 -0.34 -0.67 2.04 -0.97 0.96 117.51 119.88 1ncx h ILE 62 Ca 0.08 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1ncx h ILE 62 Cb 0.30 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1ncx h ILE 62 CO 0.00 0.15 -0.05 -0.33 0.00 0.00 0.00 178.15 177.93 1ncx h GLU 63 N 0.83 0.56 -0.14 2.37 5.08 -1.23 0.92 114.58 122.96 1ncx h GLU 63 Ca 0.25 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 1ncx h GLU 63 Cb -0.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1ncx h GLU 63 CO -0.08 0.62 -0.73 1.49 -1.00 0.00 0.00 179.01 179.31 1ncx h GLU 64 N 0.53 0.64 0.00 2.33 4.81 0.24 -3.34 114.58 119.78 1ncx h GLU 64 Ca 0.11 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1ncx h GLU 64 Cb 0.41 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ncx h GLU 64 CO 0.02 1.13 -0.98 1.33 -0.73 0.00 0.00 179.01 179.77 1ncx n VAL 65 N -3.91 0.44 -1.75 0.32 0.24 0.20 -4.39 118.33 109.49 1ncx n VAL 65 Ca -0.06 -0.43 -0.34 0.00 -2.04 0.00 0.00 64.34 61.48 1ncx n VAL 65 Cb 0.71 -0.17 0.05 0.00 -1.47 0.00 0.00 33.84 32.96 1ncx n VAL 65 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ncx n ASP 66 N -2.39 6.90 0.23 -1.34 2.03 0.29 -4.70 116.55 117.57 1ncx n ASP 66 Ca 0.01 -3.79 0.11 0.00 0.52 0.00 0.00 54.79 51.64 1ncx n ASP 66 Cb 0.50 -0.85 0.52 0.00 -0.72 0.00 0.00 41.12 40.57 1ncx n ASP 66 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ncx h GLU 67 N 2.40 0.00 -0.01 -0.67 5.08 -1.77 -2.61 114.58 117.01 1ncx h GLU 67 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1ncx h GLU 67 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ncx h GLU 67 CO 1.34 0.18 -0.01 -0.40 -1.00 0.00 0.00 179.01 179.12 1ncx n ASP 68 N -3.37 0.59 -0.71 1.42 5.68 -1.26 -4.92 116.55 113.98 1ncx n ASP 68 Ca 0.00 -1.14 -0.08 0.00 -0.50 0.00 0.00 54.79 53.08 1ncx n ASP 68 Cb 0.39 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 1ncx n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ncx n GLY 69 N 1.09 0.64 0.18 6.12 0.00 -0.98 -4.90 105.19 107.33 1ncx n GLY 69 Ca 0.21 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1ncx n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ncx h SER 70 N 0.00 0.00 -0.14 1.61 4.64 -1.91 -3.47 113.55 114.28 1ncx h SER 70 Ca -0.17 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 1ncx h SER 70 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1ncx h SER 70 CO 0.23 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.75 1ncx n GLY 71 N 1.04 0.61 3.37 -0.77 0.00 -1.26 -5.03 105.19 103.15 1ncx n GLY 71 Ca 0.04 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 1ncx n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ncx s THR 72 N -2.06 1.05 -0.02 2.61 -4.23 -1.26 -1.84 115.64 109.89 1ncx s THR 72 Ca 0.00 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1ncx s THR 72 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1ncx s THR 72 CO 0.00 -0.16 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.38 1ncx s ILE 73 N -3.41 0.37 0.53 2.99 2.07 -0.38 -4.65 121.20 118.72 1ncx s ILE 73 Ca 0.33 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.46 1ncx s ILE 73 Cb 0.07 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.31 1ncx s ILE 73 CO 0.12 0.15 0.77 1.51 -1.91 0.00 0.00 174.94 175.58 1ncx s ASP 74 N 0.49 5.46 0.27 4.50 -4.77 -1.26 -1.79 116.67 119.57 1ncx s ASP 74 Ca -0.05 0.20 -0.03 0.00 -3.30 0.00 0.00 52.55 49.36 1ncx s ASP 74 Cb -0.09 -1.20 0.37 0.00 -1.09 0.00 0.00 42.92 40.91 1ncx s ASP 74 CO -0.00 -1.02 1.88 0.15 0.70 0.00 0.00 175.17 176.87 1ncx h PHE 75 N 0.10 1.02 -0.51 2.11 3.57 -1.88 -0.45 116.94 120.90 1ncx h PHE 75 Ca -0.44 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 60.92 1ncx h PHE 75 Cb 1.28 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1ncx h PHE 75 CO 0.41 0.74 -0.09 0.93 -2.23 0.00 0.00 178.31 178.06 1ncx h GLU 76 N 1.03 0.93 -0.03 1.11 4.39 -1.95 -1.26 114.58 118.81 1ncx h GLU 76 Ca 0.26 -0.32 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 1ncx h GLU 76 Cb 0.08 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1ncx h GLU 76 CO -0.04 0.98 -0.67 0.93 -1.16 0.00 0.00 179.01 179.06 1ncx h GLU 77 N 0.84 0.14 -0.38 2.33 5.08 -1.89 -2.86 114.58 117.84 1ncx h GLU 77 Ca 0.14 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ncx h GLU 77 Cb 0.62 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1ncx h GLU 77 CO 0.04 0.75 0.25 0.35 -1.00 0.00 0.00 179.01 179.40 1ncx h PHE 78 N 0.10 0.48 -1.01 4.33 3.57 -0.63 -2.42 116.94 121.36 1ncx h PHE 78 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1ncx h PHE 78 Cb 1.19 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1ncx h PHE 78 CO 0.01 0.32 0.67 -0.07 -2.23 0.00 0.00 178.31 177.01 1ncx h LEU 79 N 0.51 1.15 -0.45 0.59 3.38 -1.08 0.97 115.31 120.39 1ncx h LEU 79 Ca 0.14 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1ncx h LEU 79 Cb -0.04 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1ncx h LEU 79 CO -0.03 0.83 0.20 0.58 0.09 0.00 0.00 178.44 180.12 1ncx h VAL 80 N 1.36 0.93 -0.49 1.22 2.07 -1.25 -1.30 116.25 118.80 1ncx h VAL 80 Ca 0.37 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 1ncx h VAL 80 Cb -0.15 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1ncx h VAL 80 CO -0.08 0.07 0.08 0.24 0.02 0.00 0.00 177.57 177.90 1ncx h MET 81 N 0.40 0.81 -0.63 1.57 2.86 -0.95 -1.42 114.93 117.58 1ncx h MET 81 Ca 0.20 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ncx h MET 81 Cb 0.14 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1ncx h MET 81 CO -0.16 0.81 0.38 0.52 1.06 0.00 0.00 176.91 179.52 1ncx h MET 82 N 0.69 0.86 -0.55 1.72 2.07 -0.50 -1.71 114.93 117.50 1ncx h MET 82 Ca 0.15 -0.08 -0.09 0.00 -2.07 0.00 0.00 59.70 57.61 1ncx h MET 82 Cb 0.39 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 1ncx h MET 82 CO 0.01 0.62 0.01 0.28 1.07 0.00 0.00 176.91 178.90 1ncx h VAL 83 N 0.86 1.26 -0.46 -2.22 2.07 -1.06 0.14 116.25 116.84 1ncx h VAL 83 Ca 0.23 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1ncx h VAL 83 Cb -0.01 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ncx h VAL 83 CO -0.04 0.40 0.28 0.03 0.02 0.00 0.00 177.57 178.26 1ncx h ARG 84 N 0.86 0.62 -0.50 1.57 3.08 -1.05 -1.44 114.38 117.53 1ncx h ARG 84 Ca 0.16 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 1ncx h ARG 84 Cb 0.53 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1ncx h ARG 84 CO 0.03 0.45 -0.07 0.37 -1.07 0.00 0.00 179.97 179.68 1ncx h GLN 85 N 0.62 0.92 -0.83 0.04 5.75 -1.06 -1.73 115.11 118.83 1ncx h GLN 85 Ca 0.17 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 1ncx h GLN 85 Cb -0.01 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1ncx h GLN 85 CO -0.03 0.99 0.42 0.52 -2.65 0.00 0.00 178.83 178.07 1ncx h MET 86 N 0.78 1.18 -0.46 1.69 2.86 -0.50 -0.11 114.93 120.37 1ncx h MET 86 Ca 0.13 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1ncx h MET 86 Cb 0.62 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1ncx h MET 86 CO 0.04 0.90 0.07 0.87 1.06 0.00 0.00 176.91 179.85 1ncx h LYS 87 N 1.17 0.76 -0.45 1.72 1.57 -1.08 -1.06 116.57 119.20 1ncx h LYS 87 Ca 0.29 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1ncx h LYS 87 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ncx h LYS 87 CO -0.04 0.79 -0.04 1.49 -0.57 0.00 0.00 179.45 181.08 1ncx h GLU 88 N 0.62 0.83 -0.26 3.15 4.81 -0.96 -2.51 114.58 120.26 1ncx h GLU 88 Ca 0.14 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1ncx h GLU 88 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ncx h GLU 88 CO 0.01 0.90 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.70 1ncx h ASP 89 N 0.67 0.50 -0.81 1.04 3.32 -0.97 -2.52 116.42 117.65 1ncx h ASP 89 Ca 0.12 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1ncx h ASP 89 Cb 0.55 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1ncx h ASP 89 CO 0.03 0.74 0.50 0.00 -1.72 0.00 0.00 179.24 178.79 1ncx h ALA 90 N 0.77 1.34 0.00 3.45 0.00 -1.17 -0.89 119.26 122.76 1ncx h ALA 90 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ncx h ALA 90 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ncx h ALA 90 CO 0.02 0.58 -0.29 -0.22 0.00 0.00 0.00 179.25 179.34 1ncx h LYS 91 N 1.13 0.00 -0.17 0.00 1.63 -1.33 -0.91 116.57 116.91 1ncx h LYS 91 Ca 0.29 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.93 1ncx h LYS 91 Cb -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1ncx h LYS 91 CO -0.06 0.29 -0.52 0.78 -3.45 0.00 0.00 179.45 176.50 1ncx h GLY 92 N 1.11 0.73 0.83 5.01 0.00 -0.90 -2.36 103.07 107.48 1ncx h GLY 92 Ca -0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 1ncx h GLY 92 CO 0.04 0.83 0.03 1.70 0.00 0.00 0.00 176.54 179.14 1ncx h LYS 93 N 0.34 0.27 -0.43 4.80 3.11 -0.87 -2.41 116.57 121.38 1ncx h LYS 93 Ca -0.02 -0.07 0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1ncx h LYS 93 Cb 1.14 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.30 1ncx h LYS 93 CO 0.11 0.43 0.23 0.66 -2.81 0.00 0.00 179.45 178.07 1ncx h SER 94 N 0.06 0.34 -0.28 4.20 4.64 -1.15 -1.18 113.55 120.18 1ncx h SER 94 Ca 0.05 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ncx h SER 94 Cb 0.29 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1ncx h SER 94 CO 0.00 0.24 0.16 -0.33 -0.87 0.00 0.00 176.83 176.04 1ncx h GLU 95 N 0.46 0.39 -0.37 4.77 5.08 -1.38 -1.15 114.58 122.38 1ncx h GLU 95 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ncx h GLU 95 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ncx h GLU 95 CO -0.12 0.32 0.24 0.93 -1.00 0.00 0.00 179.01 179.38 1ncx h GLU 96 N 0.34 0.49 -0.51 2.33 5.08 -1.18 -1.81 114.58 119.33 1ncx h GLU 96 Ca 0.10 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1ncx h GLU 96 Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ncx h GLU 96 CO -0.02 0.34 -0.01 0.93 -1.00 0.00 0.00 179.01 179.26 1ncx h GLU 97 N 0.49 0.85 -0.30 2.33 4.39 -1.08 -0.95 114.58 120.32 1ncx h GLU 97 Ca 0.13 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 1ncx h GLU 97 Cb -0.04 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1ncx h GLU 97 CO -0.03 0.86 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.36 1ncx h LEU 98 N 0.79 0.59 -0.63 1.33 3.38 -0.66 -1.16 115.31 118.94 1ncx h LEU 98 Ca 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ncx h LEU 98 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1ncx h LEU 98 CO 0.02 0.83 0.27 0.00 0.09 0.00 0.00 178.44 179.65 1ncx h ALA 99 N 1.22 0.82 -0.35 1.53 0.00 -0.99 -0.12 119.26 121.37 1ncx h ALA 99 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ncx h ALA 99 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ncx h ALA 99 CO 0.05 0.42 -0.12 -0.91 0.00 0.00 0.00 179.25 178.70 1ncx h ASN 100 N 0.88 0.71 -0.72 0.00 2.35 -0.73 -2.41 115.58 115.67 1ncx h ASN 100 Ca 0.21 -0.38 0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1ncx h ASN 100 Cb 0.18 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.28 1ncx h ASN 100 CO -0.02 0.93 0.38 0.00 -1.65 0.00 0.00 177.43 177.07 1ncx h PHE 102 N 0.65 0.85 -0.35 0.00 3.57 -0.70 -1.79 116.94 119.17 1ncx h PHE 102 Ca 0.35 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1ncx h PHE 102 Cb 0.33 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1ncx h PHE 102 CO -0.09 0.81 0.10 0.00 -2.23 0.00 0.00 178.31 176.90 1ncx h ARG 103 N 0.65 0.49 0.03 1.11 3.08 -1.01 -1.09 114.38 117.64 1ncx h ARG 103 Ca 0.14 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ncx h ARG 103 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1ncx h ARG 103 CO 0.02 0.44 -0.01 0.82 -1.07 0.00 0.00 179.97 180.17 1ncx h ILE 104 N 0.49 1.38 -0.92 2.04 2.04 -1.27 -3.29 117.51 117.98 1ncx h ILE 104 Ca 0.12 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1ncx h ILE 104 Cb 0.16 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1ncx h ILE 104 CO -0.01 0.34 0.61 -0.26 0.00 0.00 0.00 178.15 178.83 1ncx h PHE 105 N -0.63 1.15 -1.09 1.37 0.04 -1.05 -3.32 116.94 113.40 1ncx h PHE 105 Ca -0.00 0.03 -0.70 0.00 2.80 0.00 0.00 57.97 60.10 1ncx h PHE 105 Cb 0.59 -0.39 -0.10 0.00 2.20 0.00 0.00 35.95 38.25 1ncx h PHE 105 CO 0.13 0.71 2.09 -3.47 -0.60 0.00 0.00 178.31 177.16 1ncx n ASP 106 N -4.41 4.93 -0.12 2.17 2.03 -0.44 -4.82 116.55 115.90 1ncx n ASP 106 Ca 0.11 -2.93 0.04 0.00 0.52 0.00 0.00 54.79 52.53 1ncx n ASP 106 Cb 0.04 -1.70 0.35 0.00 -0.72 0.00 0.00 41.12 39.09 1ncx n ASP 106 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ncx h LYS 107 N 7.31 0.73 -0.23 -0.67 1.57 -1.78 -2.23 116.57 121.27 1ncx h LYS 107 Ca 0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1ncx h LYS 107 Cb 0.85 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ncx h LYS 107 CO 1.45 0.48 0.00 0.27 -0.57 0.00 0.00 179.45 181.08 1ncx n ASN 108 N -4.46 2.35 -3.93 0.86 6.94 -1.26 -4.96 115.26 110.80 1ncx n ASN 108 Ca 0.07 -1.82 -0.26 0.00 -0.02 0.00 0.00 54.58 52.55 1ncx n ASN 108 Cb 0.09 -0.14 -0.01 0.00 -2.36 0.00 0.00 39.78 37.36 1ncx n ASN 108 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ncx n ALA 109 N 0.78 -1.85 0.70 -2.53 0.00 -0.84 -4.88 120.51 111.88 1ncx n ALA 109 Ca 0.17 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ncx n ALA 109 Cb 0.44 -2.09 0.18 0.00 0.00 0.00 0.00 19.45 17.99 1ncx n ALA 109 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ncx n ASP 110 N -2.95 3.13 0.00 0.00 5.75 -1.26 -4.92 116.55 116.30 1ncx n ASP 110 Ca -0.23 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1ncx n ASP 110 Cb 0.65 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ncx n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ncx n GLY 111 N 1.42 0.70 3.07 6.12 0.00 -1.26 -5.06 105.19 110.17 1ncx n GLY 111 Ca 0.17 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1ncx n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ncx s PHE 112 N -2.00 0.22 -0.29 1.61 0.08 -1.26 -4.25 117.98 112.09 1ncx s PHE 112 Ca 0.00 -0.49 -0.11 0.00 0.12 0.00 0.00 56.93 56.45 1ncx s PHE 112 Cb 0.00 -0.16 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 1ncx s PHE 112 CO 0.00 -0.30 0.19 0.42 -0.10 0.00 0.00 175.22 175.43 1ncx s ILE 113 N -2.13 5.18 0.54 0.64 1.01 0.14 -4.73 121.20 121.85 1ncx s ILE 113 Ca -0.09 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1ncx s ILE 113 Cb -0.04 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.96 1ncx s ILE 113 CO -0.03 0.19 0.75 1.51 0.00 0.00 0.00 174.94 177.36 1ncx s ASP 114 N 1.73 5.20 0.37 3.58 1.47 -1.26 -1.02 116.67 126.75 1ncx s ASP 114 Ca 0.07 -0.35 0.08 0.00 1.18 0.00 0.00 52.55 53.52 1ncx s ASP 114 Cb -0.16 -0.44 0.74 0.00 -0.34 0.00 0.00 42.92 42.71 1ncx s ASP 114 CO 0.10 -1.19 1.92 0.16 0.68 0.00 0.00 175.17 176.84 1ncx h ILE 115 N 0.16 1.17 -0.20 2.11 -0.00 -2.00 -0.73 117.51 118.03 1ncx h ILE 115 Ca -0.38 -0.72 -0.06 0.00 -0.00 0.00 0.00 64.86 63.69 1ncx h ILE 115 Cb 1.29 1.07 -0.01 0.00 -0.00 0.00 0.00 36.82 39.17 1ncx h ILE 115 CO 0.46 0.24 -0.11 -0.33 -0.00 0.00 0.00 178.15 178.40 1ncx h GLU 116 N 0.33 0.43 -0.53 0.16 3.07 -1.96 -0.95 114.58 115.14 1ncx h GLU 116 Ca 0.07 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 1ncx h GLU 116 Cb 0.32 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1ncx h GLU 116 CO 0.01 0.73 0.17 0.93 -1.40 0.00 0.00 179.01 179.45 1ncx h GLU 117 N 0.13 0.81 -0.35 2.33 5.08 -1.83 -1.94 114.58 118.81 1ncx h GLU 117 Ca 0.04 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1ncx h GLU 117 Cb 0.61 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1ncx h GLU 117 CO 0.03 0.75 0.19 1.25 -1.00 0.00 0.00 179.01 180.23 1ncx h LEU 118 N 0.72 0.44 -0.93 1.33 5.85 -1.10 -2.44 115.31 119.18 1ncx h LEU 118 Ca 0.17 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1ncx h LEU 118 Cb 0.27 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1ncx h LEU 118 CO -0.01 0.41 -0.03 1.23 -0.34 0.00 0.00 178.44 179.70 1ncx h GLY 119 N 0.44 0.80 0.95 3.75 0.00 -1.06 -1.43 103.07 106.51 1ncx h GLY 119 Ca 0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1ncx h GLY 119 CO -0.02 0.51 0.11 -2.09 0.00 0.00 0.00 176.54 175.05 1ncx h GLU 120 N 0.69 0.67 -0.32 4.80 4.81 -1.20 0.27 114.58 124.32 1ncx h GLU 120 Ca 0.13 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1ncx h GLU 120 Cb 0.47 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ncx h GLU 120 CO 0.02 0.67 -0.28 0.82 -0.73 0.00 0.00 179.01 179.52 1ncx h ILE 121 N 0.55 1.29 -0.53 2.32 1.08 -1.35 -2.25 117.51 118.62 1ncx h ILE 121 Ca 0.13 -1.44 -0.12 0.00 -0.39 0.00 0.00 64.86 63.05 1ncx h ILE 121 Cb 0.30 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 1ncx h ILE 121 CO -0.00 0.47 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.71 1ncx h LEU 122 N 0.51 1.04 -1.10 1.44 3.38 -1.14 -3.06 115.31 116.39 1ncx h LEU 122 Ca 0.06 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1ncx h LEU 122 Cb 0.85 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1ncx h LEU 122 CO 0.07 1.17 0.03 0.03 0.09 0.00 0.00 178.44 179.83 1ncx h ARG 123 N 0.90 0.67 0.00 1.13 3.08 -0.42 -2.52 114.38 117.22 1ncx h ARG 123 Ca 0.13 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ncx h ARG 123 Cb 0.72 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1ncx h ARG 123 CO 0.06 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.62 1ncx n ALA 124 N -2.47 1.36 0.24 0.04 0.00 -0.85 -2.17 120.51 116.66 1ncx n ALA 124 Ca 0.02 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1ncx n ALA 124 Cb 0.25 -1.28 0.42 0.00 0.00 0.00 0.00 19.45 18.84 1ncx n ALA 124 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ncx h THR 125 N 0.00 0.14 0.00 0.00 1.35 -1.44 -3.47 112.91 109.49 1ncx h THR 125 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1ncx h THR 125 Cb 0.17 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1ncx h THR 125 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1ncx n GLY 126 N 0.53 0.88 3.77 5.82 0.00 -0.92 -5.05 105.19 110.21 1ncx n GLY 126 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ncx n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ncx s GLU 127 N -0.82 2.94 -1.25 1.61 0.41 -1.26 -4.89 118.70 115.45 1ncx s GLU 127 Ca 0.00 1.54 -0.15 0.00 -0.41 0.00 0.00 54.97 55.94 1ncx s GLU 127 Cb 0.00 -1.96 0.13 0.00 -1.78 0.00 0.00 34.13 30.52 1ncx s GLU 127 CO 0.00 -1.16 1.58 0.72 -0.49 0.00 0.00 175.26 175.90 1ncx n HIS 128 N -1.99 4.80 -3.61 1.61 8.25 -1.26 -4.91 115.22 118.10 1ncx n HIS 128 Ca 0.11 -3.14 -0.38 0.00 -0.26 0.00 0.00 57.72 54.06 1ncx n HIS 128 Cb 0.51 -2.37 -0.06 0.00 1.12 0.00 0.00 29.99 29.19 1ncx n HIS 128 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ncx s VAL 129 N 2.61 5.19 0.37 1.59 1.01 -1.26 -5.10 120.40 124.81 1ncx s VAL 129 Ca 0.47 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.16 1ncx s VAL 129 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1ncx s VAL 129 CO 0.03 0.57 0.48 0.42 0.00 0.00 0.00 175.10 176.61 1ncx s THR 130 N -0.93 3.51 0.35 3.92 -4.23 -1.26 -4.97 115.64 112.02 1ncx s THR 130 Ca 0.21 -1.07 0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1ncx s THR 130 Cb -0.15 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.64 1ncx s THR 130 CO 0.10 -0.09 1.87 -0.08 -0.54 0.00 0.00 174.62 175.88 1ncx h GLU 131 N 0.85 0.40 -0.63 3.99 4.57 -2.00 -2.38 114.58 119.39 1ncx h GLU 131 Ca -0.43 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 1ncx h GLU 131 Cb 1.27 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 1ncx h GLU 131 CO 0.51 0.50 0.36 1.49 -1.18 0.00 0.00 179.01 180.69 1ncx h GLU 132 N 0.38 0.86 -0.47 1.92 4.81 -1.98 -0.50 114.58 119.60 1ncx h GLU 132 Ca 0.08 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ncx h GLU 132 Cb 0.38 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1ncx h GLU 132 CO 0.02 0.63 0.29 -0.44 -0.73 0.00 0.00 179.01 178.78 1ncx h ASP 133 N 0.85 0.56 -0.25 1.04 3.32 -1.87 -0.87 116.42 119.21 1ncx h ASP 133 Ca 0.22 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1ncx h ASP 133 Cb 0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1ncx h ASP 133 CO -0.04 0.45 -0.01 0.40 -1.72 0.00 0.00 179.24 178.32 1ncx h ILE 134 N 0.63 1.26 -0.60 0.35 2.04 -1.03 -2.04 117.51 118.12 1ncx h ILE 134 Ca 0.17 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1ncx h ILE 134 Cb -0.02 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1ncx h ILE 134 CO -0.03 0.29 0.32 -0.33 0.00 0.00 0.00 178.15 178.40 1ncx h GLU 135 N 0.21 0.83 -0.25 2.37 5.08 -0.92 -0.51 114.58 121.39 1ncx h GLU 135 Ca 0.07 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ncx h GLU 135 Cb 0.43 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1ncx h GLU 135 CO 0.01 0.62 0.04 -0.44 -1.00 0.00 0.00 179.01 178.24 1ncx h ASP 136 N 0.84 0.40 -0.17 1.42 3.32 -1.02 0.11 116.42 121.33 1ncx h ASP 136 Ca 0.21 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1ncx h ASP 136 Cb 0.04 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1ncx h ASP 136 CO -0.03 0.57 0.04 0.25 -1.72 0.00 0.00 179.24 178.35 1ncx h LEU 137 N 0.22 0.26 0.12 1.55 5.85 -0.91 -1.57 115.31 120.83 1ncx h LEU 137 Ca 0.08 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1ncx h LEU 137 Cb 0.34 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ncx h LEU 137 CO 0.01 0.42 -0.20 -0.03 -0.34 0.00 0.00 178.44 178.30 1ncx h MET 138 N 0.09 -0.36 -0.87 1.25 4.05 -0.93 -1.00 114.93 117.15 1ncx h MET 138 Ca 0.05 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1ncx h MET 138 Cb 0.26 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 1ncx h MET 138 CO 0.00 -0.24 0.53 0.87 0.23 0.00 0.00 176.91 178.30 1ncx h LYS 139 N -0.38 1.17 0.00 0.39 1.57 -0.86 -1.22 116.57 117.24 1ncx h LYS 139 Ca 0.02 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1ncx h LYS 139 Cb 0.39 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1ncx h LYS 139 CO -0.10 0.81 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.76 1ncx h ASP 140 N 1.19 0.00 0.88 0.86 3.32 -1.12 -3.25 116.42 118.30 1ncx h ASP 140 Ca 0.31 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 1ncx h ASP 140 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ncx h ASP 140 CO -0.06 0.39 -1.17 0.28 -1.72 0.00 0.00 179.24 176.96 1ncx h SER 141 N 0.00 0.00 -1.29 6.45 0.02 -0.70 -3.43 113.55 114.60 1ncx h SER 141 Ca -0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 1ncx h SER 141 Cb 0.71 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.14 1ncx h SER 141 CO 0.05 0.24 1.69 -0.62 -1.14 0.00 0.00 176.83 177.06 1ncx s ASP 142 N -5.54 6.73 0.33 3.07 2.15 -0.51 -4.85 116.67 118.04 1ncx s ASP 142 Ca -0.01 -2.12 0.06 0.00 0.43 0.00 0.00 52.55 50.90 1ncx s ASP 142 Cb 0.09 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.75 1ncx s ASP 142 CO 0.80 -1.22 1.80 0.11 -0.17 0.00 0.00 175.17 176.49 1ncx h LYS 143 N 8.45 0.35 -0.61 4.34 1.79 -1.84 -3.01 116.57 126.03 1ncx h LYS 143 Ca 0.31 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1ncx h LYS 143 Cb 0.94 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1ncx h LYS 143 CO 1.38 0.55 0.00 0.27 -1.08 0.00 0.00 179.45 180.57 1ncx n ASN 144 N -4.17 3.55 -3.96 0.86 6.94 -1.26 -4.97 115.26 112.25 1ncx n ASN 144 Ca -0.00 -2.21 -0.30 0.00 -0.02 0.00 0.00 54.58 52.05 1ncx n ASN 144 Cb 0.35 -0.46 0.01 0.00 -2.36 0.00 0.00 39.78 37.32 1ncx n ASN 144 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ncx n ASN 145 N 0.99 -3.34 -1.09 0.53 3.02 -1.14 -4.87 115.26 109.35 1ncx n ASN 145 Ca 0.20 -0.87 0.12 0.00 -0.03 0.00 0.00 54.58 54.00 1ncx n ASN 145 Cb 0.63 -3.55 0.17 0.00 -0.61 0.00 0.00 39.78 36.43 1ncx n ASN 145 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ncx n ASP 146 N -2.85 3.31 0.00 6.41 5.68 -1.26 -4.96 116.55 122.89 1ncx n ASP 146 Ca -0.05 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 1ncx n ASP 146 Cb 0.56 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1ncx n ASP 146 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ncx n GLY 147 N 1.45 1.04 3.21 6.12 0.00 -1.26 -5.02 105.19 110.74 1ncx n GLY 147 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ncx n GLY 147 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ncx s ARG 148 N -0.30 1.14 -0.26 1.61 1.70 -1.26 -4.28 118.95 117.30 1ncx s ARG 148 Ca 0.00 -1.58 -0.05 0.00 -0.47 0.00 0.00 55.73 53.64 1ncx s ARG 148 Cb 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1ncx s ARG 148 CO 0.00 -0.28 0.01 0.42 -1.08 0.00 0.00 175.30 174.37 1ncx s ILE 149 N -3.95 3.58 0.62 4.99 1.01 -0.19 -4.72 121.20 122.54 1ncx s ILE 149 Ca 0.31 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 1ncx s ILE 149 Cb 0.07 -2.75 0.13 0.00 0.01 0.00 0.00 42.46 39.92 1ncx s ILE 149 CO 0.08 0.24 0.85 -0.90 0.00 0.00 0.00 174.94 175.21 1ncx n ASP 150 N 4.81 1.01 -0.21 3.58 5.68 -1.26 0.24 116.55 130.39 1ncx n ASP 150 Ca -0.16 -1.88 -0.07 0.00 -0.50 0.00 0.00 54.79 52.17 1ncx n ASP 150 Cb 0.49 -0.56 0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1ncx n ASP 150 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1ncx h PHE 151 N -0.68 0.88 -0.62 2.11 3.57 -2.00 0.77 116.94 120.98 1ncx h PHE 151 Ca -0.28 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.20 1ncx h PHE 151 Cb 1.01 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1ncx h PHE 151 CO 0.00 0.68 0.38 0.22 -2.23 0.00 0.00 178.31 177.36 1ncx h ASP 152 N 0.82 0.63 0.20 0.41 3.58 -1.97 -1.27 116.42 118.83 1ncx h ASP 152 Ca 0.21 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 1ncx h ASP 152 Cb 0.14 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1ncx h ASP 152 CO -0.02 0.44 -0.35 -0.33 -2.88 0.00 0.00 179.24 176.10 1ncx h GLU 153 N 0.76 0.23 -0.35 0.28 5.08 -1.82 -2.58 114.58 116.17 1ncx h GLU 153 Ca 0.25 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1ncx h GLU 153 Cb 0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ncx h GLU 153 CO -0.10 0.56 0.01 0.35 -1.00 0.00 0.00 179.01 178.83 1ncx h PHE 154 N 0.20 0.66 -0.72 4.33 3.57 -0.18 -0.77 116.94 124.03 1ncx h PHE 154 Ca 0.02 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1ncx h PHE 154 Cb 0.72 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1ncx h PHE 154 CO 0.01 0.71 0.41 -0.07 -2.23 0.00 0.00 178.31 177.14 1ncx h LEU 155 N 0.42 0.89 -0.70 0.59 4.07 -1.13 -0.86 115.31 118.58 1ncx h LEU 155 Ca 0.10 -0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1ncx h LEU 155 Cb 0.44 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1ncx h LEU 155 CO 0.02 0.71 -0.06 0.11 -1.08 0.00 0.00 178.44 178.14 1ncx h LYS 156 N 0.99 0.94 -0.31 1.13 1.57 -1.30 0.60 116.57 120.18 1ncx h LYS 156 Ca 0.26 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1ncx h LYS 156 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1ncx h LYS 156 CO -0.04 0.97 0.02 1.98 -0.57 0.00 0.00 179.45 181.81 1ncx h MET 157 N 0.86 0.54 -0.02 3.15 4.05 -0.66 -2.03 114.93 120.81 1ncx h MET 157 Ca 0.15 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1ncx h MET 157 Cb 0.58 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1ncx h MET 157 CO 0.04 0.66 -0.35 0.52 0.23 0.00 0.00 176.91 178.00 1ncx h MET 158 N 0.35 0.28 0.00 0.39 2.86 -1.09 -3.17 114.93 114.55 1ncx h MET 158 Ca 0.09 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1ncx h MET 158 Cb 0.40 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ncx h MET 158 CO 0.01 0.96 0.00 0.39 1.06 0.00 0.00 176.91 179.33 1ncx n GLU 159 N -4.42 0.21 0.00 1.72 1.02 0.19 -4.87 120.64 114.49 1ncx n GLU 159 Ca -0.09 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1ncx n GLU 159 Cb 0.54 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1ncx n GLU 159 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ncx n GLY 160 N 0.23 0.51 0.20 0.62 0.00 -0.76 -3.68 105.19 102.32 1ncx n GLY 160 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1ncx n GLY 160 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ncx h VAL 161 N 0.00 0.53 0.00 1.61 2.07 -1.90 -3.47 116.25 115.10 1ncx h VAL 161 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ncx h VAL 161 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1ncx h VAL 161 CO 0.00 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.26