#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9p s TRP 2 N 0.00 2.97 -0.08 1.12 -0.00 0.66 -2.11 118.94 121.50 1p9p s TRP 2 Ca 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 56.10 55.93 1p9p s TRP 2 Cb 0.00 -1.83 0.03 0.00 -0.00 0.00 0.00 33.47 31.67 1p9p s TRP 2 CO 0.00 0.14 -0.02 0.42 -0.00 0.00 0.00 176.95 177.49 1p9p s ILE 3 N -0.23 0.54 -0.09 5.86 1.01 0.15 -1.28 121.20 127.16 1p9p s ILE 3 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 1p9p s ILE 3 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1p9p s ILE 3 CO 0.03 0.28 0.08 -0.83 0.00 0.00 0.00 174.94 174.50 1p9p s GLY 4 N 1.82 2.03 -0.06 6.18 0.00 0.58 -1.82 107.32 116.04 1p9p s GLY 4 Ca 0.04 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.07 1p9p s GLY 4 CO -0.05 -0.50 -0.22 -0.42 0.00 0.00 0.00 173.10 171.91 1p9p s ILE 5 N -1.00 1.83 -0.30 0.90 1.01 0.29 0.33 121.20 124.27 1p9p s ILE 5 Ca 0.16 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1p9p s ILE 5 Cb -0.12 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1p9p s ILE 5 CO 0.05 0.51 -0.01 -0.63 0.00 0.00 0.00 174.94 174.86 1p9p s ILE 6 N 0.05 2.87 0.03 2.92 1.09 -0.49 0.55 121.20 128.23 1p9p s ILE 6 Ca -0.08 -1.45 -0.18 0.00 -1.10 0.00 0.00 60.65 57.84 1p9p s ILE 6 Cb -0.14 -2.67 0.03 0.00 -1.06 0.00 0.00 42.46 38.62 1p9p s ILE 6 CO 0.04 -0.12 0.40 -0.55 -0.10 0.00 0.00 174.94 174.62 1p9p s SER 7 N 1.24 -0.28 0.00 3.58 0.15 -1.14 -1.10 113.70 116.15 1p9p s SER 7 Ca -0.05 0.04 0.25 0.00 0.70 0.00 0.00 55.95 56.89 1p9p s SER 7 Cb -0.20 0.41 1.24 0.00 -1.71 0.00 0.00 66.02 65.75 1p9p s SER 7 CO -0.02 -0.62 1.84 0.18 1.20 0.00 0.00 173.24 175.82 1p9p n LEU 8 N 0.67 0.00 -3.18 3.45 4.77 -1.26 -4.08 117.00 117.36 1p9p n LEU 8 Ca -0.19 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 1p9p n LEU 8 Cb 0.59 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1p9p n LEU 8 CO 0.21 -0.05 -0.26 0.49 -1.33 0.00 0.00 177.39 176.44 1p9p n PHE 9 N -1.33 -0.18 -0.34 -1.77 3.72 -1.26 -4.97 117.46 111.33 1p9p n PHE 9 Ca 0.11 -3.65 0.16 0.00 -0.05 0.00 0.00 57.45 54.02 1p9p n PHE 9 Cb 0.22 -0.35 0.37 0.00 -0.94 0.00 0.00 39.48 38.78 1p9p n PHE 9 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1p9p h PRO 10 N 3.57 0.62 -0.87 -1.08 0.11 -1.97 -0.61 132.00 131.77 1p9p h PRO 10 Ca 0.08 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 66.38 1p9p h PRO 10 Cb 0.92 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 1p9p h PRO 10 CO 0.47 0.41 0.60 0.93 -0.21 0.00 0.00 178.00 180.21 1p9p h GLU 11 N 0.64 0.18 -0.66 1.05 3.07 -1.96 -0.59 114.58 116.32 1p9p h GLU 11 Ca 0.61 -0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.61 1p9p h GLU 11 Cb 1.10 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.94 1p9p h GLU 11 CO -0.41 0.12 0.45 0.52 -1.40 0.00 0.00 179.01 178.29 1p9p h MET 12 N 0.19 0.23 0.00 2.33 2.86 -1.54 -1.59 114.93 117.40 1p9p h MET 12 Ca 0.43 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1p9p h MET 12 Cb 1.41 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1p9p h MET 12 CO -0.09 0.15 0.00 1.97 1.06 0.00 0.00 176.91 180.01 1p9p n PHE 13 N -4.43 0.51 0.34 -0.22 1.16 -0.23 -1.12 117.46 113.47 1p9p n PHE 13 Ca 0.12 0.24 0.23 0.00 -1.87 0.00 0.00 57.45 56.16 1p9p n PHE 13 Cb 0.56 -0.88 1.21 0.00 -1.61 0.00 0.00 39.48 38.76 1p9p n PHE 13 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1p9p h ARG 14 N 0.00 0.00 0.00 3.97 3.08 -1.46 0.73 114.38 120.71 1p9p h ARG 14 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p9p h ARG 14 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1p9p h ARG 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1p9p h ALA 15 N 1.98 1.00 0.00 0.04 0.00 -1.35 -2.03 119.26 118.90 1p9p h ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p9p h ALA 15 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p9p h ALA 15 CO -0.00 0.00 -1.17 -0.89 0.00 0.00 0.00 179.25 177.19 1p9p n ILE 16 N -3.08 0.00 0.11 0.00 -0.00 0.24 -4.33 119.36 112.29 1p9p n ILE 16 Ca 0.01 -0.24 0.03 0.00 -0.00 0.00 0.00 62.75 62.55 1p9p n ILE 16 Cb 0.32 0.49 0.00 0.00 -0.00 0.00 0.00 39.64 40.45 1p9p n ILE 16 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 1p9p h THR 17 N 0.00 0.59 -0.00 1.39 2.02 -0.76 -2.79 112.91 113.35 1p9p h THR 17 Ca 0.00 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1p9p h THR 17 Cb 0.40 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1p9p h THR 17 CO 0.00 0.33 0.00 0.47 0.37 0.00 0.00 175.52 176.69 1p9p n ASP 18 N -3.05 1.19 -4.09 4.18 9.92 -0.79 -4.32 116.55 119.59 1p9p n ASP 18 Ca -0.02 -1.16 -0.15 0.00 -0.53 0.00 0.00 54.79 52.93 1p9p n ASP 18 Cb 0.73 -0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 41.09 1p9p n ASP 18 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1p9p s TYR 19 N -0.18 0.87 0.00 1.24 1.51 -1.26 -4.84 117.35 114.68 1p9p s TYR 19 Ca 0.01 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1p9p s TYR 19 Cb 0.01 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.35 1p9p s TYR 19 CO 0.01 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.83 1p9p n GLY 20 N 1.57 0.75 0.37 0.71 0.00 -1.26 -0.80 105.19 106.53 1p9p n GLY 20 Ca -0.21 -0.80 0.25 0.00 0.00 0.00 0.00 46.02 45.25 1p9p n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1p9p h VAL 21 N 0.00 0.34 -0.10 1.61 2.07 -1.95 -0.14 116.25 118.09 1p9p h VAL 21 Ca 0.00 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1p9p h VAL 21 Cb 0.00 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1p9p h VAL 21 CO 0.00 0.06 -0.33 0.74 0.02 0.00 0.00 177.57 178.06 1p9p h THR 22 N 0.34 1.40 -0.50 2.57 2.02 -1.81 -1.68 112.91 115.24 1p9p h THR 22 Ca 0.71 -1.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 1p9p h THR 22 Cb 1.71 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 70.30 1p9p h THR 22 CO -0.51 0.49 0.09 1.23 0.37 0.00 0.00 175.52 177.19 1p9p h GLY 23 N -0.05 0.89 1.64 2.16 0.00 0.78 -1.74 103.07 106.75 1p9p h GLY 23 Ca -0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1p9p h GLY 23 CO 0.07 0.55 -0.14 -0.09 0.00 0.00 0.00 176.54 176.92 1p9p h ARG 24 N 0.71 0.44 -0.12 4.80 2.43 -1.27 0.34 114.38 121.71 1p9p h ARG 24 Ca 0.15 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1p9p h ARG 24 Cb 0.38 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1p9p h ARG 24 CO 0.01 0.58 -0.49 0.00 -1.51 0.00 0.00 179.97 178.56 1p9p h ALA 25 N 1.45 0.95 -0.03 2.80 0.00 -1.03 -0.53 119.26 122.86 1p9p h ALA 25 Ca 0.08 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1p9p h ALA 25 Cb 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p9p h ALA 25 CO 0.03 0.65 -0.75 0.28 0.00 0.00 0.00 179.25 179.47 1p9p h VAL 26 N 0.25 1.35 0.00 0.00 2.07 -0.29 -0.25 116.25 119.39 1p9p h VAL 26 Ca 0.01 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.43 1p9p h VAL 26 Cb 0.95 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1p9p h VAL 26 CO 0.08 0.63 -0.11 0.11 0.02 0.00 0.00 177.57 178.30 1p9p h LYS 27 N 0.15 0.00 -0.02 1.57 1.57 -0.15 -2.31 116.57 117.38 1p9p h LYS 27 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1p9p h LYS 27 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1p9p h LYS 27 CO 0.15 0.11 -0.07 0.09 -0.57 0.00 0.00 179.45 179.16 1p9p n ASN 28 N -3.73 1.96 0.00 0.86 3.02 -0.23 -4.97 115.26 112.17 1p9p n ASN 28 Ca -0.02 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 1p9p n ASN 28 Cb 0.22 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1p9p n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p9p n GLY 29 N 1.27 0.70 0.23 7.41 0.00 -0.79 -4.90 105.19 109.11 1p9p n GLY 29 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1p9p n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p9p h LEU 30 N 0.00 0.00 -7.47 0.99 3.38 -1.33 -3.44 115.31 107.43 1p9p h LEU 30 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1p9p h LEU 30 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 1p9p h LEU 30 CO 0.00 0.00 -0.64 -0.22 0.09 0.00 0.00 178.44 177.67 1p9p s LEU 31 N -6.04 0.90 0.05 1.67 0.20 -1.20 -2.29 118.68 111.96 1p9p s LEU 31 Ca 0.05 0.21 0.04 0.00 0.69 0.00 0.00 54.13 55.12 1p9p s LEU 31 Cb 0.07 0.22 -0.02 0.00 -0.43 0.00 0.00 46.19 46.02 1p9p s LEU 31 CO 0.61 -0.13 -0.12 -0.94 -0.29 0.00 0.00 176.35 175.48 1p9p s SER 32 N 1.06 1.43 -0.06 3.68 1.04 -0.90 -4.28 113.70 115.68 1p9p s SER 32 Ca -0.08 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1p9p s SER 32 Cb -0.11 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 65.98 1p9p s SER 32 CO -0.05 -0.05 -0.00 -0.63 0.98 0.00 0.00 173.24 173.50 1p9p s ILE 33 N -1.04 0.33 0.12 -1.02 1.01 -1.26 0.32 121.20 119.66 1p9p s ILE 33 Ca -0.02 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.83 1p9p s ILE 33 Cb -0.09 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1p9p s ILE 33 CO 0.01 0.23 -0.25 -1.10 0.00 0.00 0.00 174.94 173.83 1p9p s GLN 34 N 1.62 1.31 0.01 2.79 -0.21 -0.75 -5.01 119.66 119.41 1p9p s GLN 34 Ca -0.01 -1.28 0.04 0.00 0.02 0.00 0.00 55.36 54.13 1p9p s GLN 34 Cb -0.13 -1.72 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 1p9p s GLN 34 CO -0.03 0.41 -0.13 -1.54 -2.12 0.00 0.00 175.29 171.87 1p9p s SER 35 N -2.00 1.56 -0.16 5.90 1.04 -1.26 0.11 113.70 118.88 1p9p s SER 35 Ca 0.11 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1p9p s SER 35 Cb -0.10 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1p9p s SER 35 CO 0.05 0.11 -0.16 0.26 0.98 0.00 0.00 173.24 174.48 1p9p s TRP 36 N -0.52 2.79 -0.09 5.02 0.51 0.19 -4.93 118.94 121.91 1p9p s TRP 36 Ca 0.04 -1.17 -0.19 0.00 -2.12 0.00 0.00 56.10 52.65 1p9p s TRP 36 Cb -0.06 -1.91 -0.04 0.00 -0.81 0.00 0.00 33.47 30.65 1p9p s TRP 36 CO 0.00 -0.56 0.52 0.45 -0.51 0.00 0.00 176.95 176.85 1p9p s SER 37 N 0.97 6.76 0.55 2.95 0.15 -1.26 -2.88 113.70 120.94 1p9p s SER 37 Ca -0.02 0.91 0.24 0.00 0.70 0.00 0.00 55.95 57.77 1p9p s SER 37 Cb -0.15 -2.31 1.44 0.00 -1.71 0.00 0.00 66.02 63.29 1p9p s SER 37 CO -0.03 0.01 2.08 -0.65 1.20 0.00 0.00 173.24 175.84 1p9p h PRO 38 N 6.54 0.00 -0.78 5.44 0.11 -1.79 -1.79 132.00 139.73 1p9p h PRO 38 Ca -0.42 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.83 1p9p h PRO 38 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1p9p h PRO 38 CO 0.74 0.00 0.51 -0.09 -0.21 0.00 0.00 178.00 178.96 1p9p h ARG 39 N 0.00 0.48 0.00 1.05 2.43 -1.89 0.15 114.38 116.60 1p9p h ARG 39 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1p9p h ARG 39 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1p9p h ARG 39 CO -0.00 0.32 0.00 -0.25 -1.51 0.00 0.00 179.97 178.53 1p9p n ASP 40 N -4.50 0.00 -0.66 -3.80 8.00 -0.67 -2.89 116.55 112.03 1p9p n ASP 40 Ca 0.15 -1.39 0.05 0.00 0.71 0.00 0.00 54.79 54.30 1p9p n ASP 40 Cb 0.49 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.79 1p9p n ASP 40 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p9p n PHE 41 N -0.78 0.43 -3.32 1.24 3.01 0.52 -5.03 117.46 113.52 1p9p n PHE 41 Ca 0.13 -1.31 -0.36 0.00 1.01 0.00 0.00 57.45 56.93 1p9p n PHE 41 Cb 0.06 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.17 1p9p n PHE 41 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1p9p s THR 42 N -3.09 4.81 -0.18 4.37 -1.32 -1.14 -4.50 115.64 114.59 1p9p s THR 42 Ca 0.39 0.91 0.05 0.00 -1.21 0.00 0.00 61.69 61.83 1p9p s THR 42 Cb 0.35 -3.76 -0.07 0.00 -1.51 0.00 0.00 72.50 67.52 1p9p s THR 42 CO -0.00 0.25 0.20 1.41 -2.21 0.00 0.00 174.62 174.27 1p9p n HIS 43 N 0.84 0.00 -2.59 9.09 8.25 -1.26 -5.02 115.22 124.52 1p9p n HIS 43 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 1p9p n HIS 43 Cb 0.52 -0.04 0.07 0.00 1.12 0.00 0.00 29.99 31.66 1p9p n HIS 43 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1p9p s ASP 44 N -1.83 4.78 0.22 0.41 -4.77 -1.26 -5.01 116.67 109.21 1p9p s ASP 44 Ca 0.01 -0.18 0.10 0.00 -3.30 0.00 0.00 52.55 49.18 1p9p s ASP 44 Cb 0.04 -0.43 0.13 0.00 -1.09 0.00 0.00 42.92 41.57 1p9p s ASP 44 CO 0.22 -1.53 1.47 0.08 0.70 0.00 0.00 175.17 176.11 1p9p h ARG 45 N -0.27 0.00 -0.10 2.11 0.11 -2.02 -3.06 114.38 111.16 1p9p h ARG 45 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1p9p h ARG 45 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1p9p h ARG 45 CO 0.46 0.75 0.00 0.72 0.10 0.00 0.00 179.97 182.00 1p9p n HIS 46 N -3.55 0.12 -3.62 4.08 8.25 -1.26 -4.96 115.22 114.27 1p9p n HIS 46 Ca -0.00 -0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.13 1p9p n HIS 46 Cb 0.75 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.90 1p9p n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1p9p n ARG 47 N 0.32 -2.03 -2.40 -0.41 1.74 -1.16 -4.90 116.66 107.82 1p9p n ARG 47 Ca 0.17 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 1p9p n ARG 47 Cb 0.36 -4.59 -0.03 0.00 -1.02 0.00 0.00 32.46 27.17 1p9p n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1p9p s THR 48 N -3.51 3.71 0.00 0.55 2.01 -1.26 -4.92 115.64 112.22 1p9p s THR 48 Ca 0.38 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.77 1p9p s THR 48 Cb -0.12 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1p9p s THR 48 CO 0.83 0.20 0.06 1.33 -0.69 0.00 0.00 174.62 176.35 1p9p n VAL 49 N 2.83 0.00 -3.55 3.82 0.24 -1.26 -4.88 118.33 115.52 1p9p n VAL 49 Ca 0.05 -0.30 -0.21 0.00 -2.04 0.00 0.00 64.34 61.84 1p9p n VAL 49 Cb 0.45 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 1p9p n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1p9p s ASP 50 N -0.49 5.00 0.17 -1.34 -4.77 -1.26 0.92 116.67 114.90 1p9p s ASP 50 Ca 0.00 -0.83 -0.24 0.00 -3.30 0.00 0.00 52.55 48.19 1p9p s ASP 50 Cb 0.00 -0.34 0.06 0.00 -1.09 0.00 0.00 42.92 41.55 1p9p s ASP 50 CO 0.00 -0.79 0.74 -0.62 0.70 0.00 0.00 175.17 175.20 1p9p s ASP 51 N -4.21 -0.37 0.32 2.11 -1.08 0.17 -4.16 116.67 109.45 1p9p s ASP 51 Ca 0.47 -0.26 -0.13 0.00 -0.52 0.00 0.00 52.55 52.11 1p9p s ASP 51 Cb -0.03 0.59 -0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1p9p s ASP 51 CO 0.28 -1.02 0.71 -0.13 0.52 0.00 0.00 175.17 175.52 1p9p s ARG 52 N -3.63 3.92 0.06 4.34 1.81 -1.26 -1.37 118.95 122.82 1p9p s ARG 52 Ca 0.07 0.55 -0.19 0.00 -1.72 0.00 0.00 55.73 54.44 1p9p s ARG 52 Cb -0.03 -2.46 -0.06 0.00 -0.45 0.00 0.00 34.95 31.95 1p9p s ARG 52 CO -0.03 0.15 0.54 -1.25 -0.68 0.00 0.00 175.30 174.02 1p9p s PRO 53 N -3.13 4.15 0.40 3.54 0.04 -1.26 -4.80 135.00 133.94 1p9p s PRO 53 Ca 0.52 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.99 1p9p s PRO 53 Cb -0.10 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 1p9p s PRO 53 CO 0.21 0.64 1.12 0.71 0.04 0.00 0.00 177.00 179.72 1p9p s TYR 54 N -1.07 3.13 0.00 0.56 1.51 -1.26 -3.51 117.35 116.70 1p9p s TYR 54 Ca 0.28 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1p9p s TYR 54 Cb -0.19 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.37 1p9p s TYR 54 CO 0.18 -1.08 0.00 0.41 -1.11 0.00 0.00 175.55 173.95 1p9p n GLY 55 N 0.53 0.65 5.48 0.71 0.00 -1.26 -4.86 105.19 106.44 1p9p n GLY 55 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1p9p n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p9p n GLY 56 N -2.65 -2.06 0.00 -0.02 0.00 -1.23 -5.09 105.19 94.14 1p9p n GLY 56 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1p9p n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p9p n GLY 57 N -0.29 2.16 0.21 -0.02 0.00 -1.26 -4.77 105.19 101.23 1p9p n GLY 57 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 1p9p n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p9p h PRO 58 N 0.00 -0.46 0.00 1.61 0.13 -1.99 -3.49 132.00 127.81 1p9p h PRO 58 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1p9p h PRO 58 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1p9p h PRO 58 CO 0.00 -0.30 0.00 0.41 -0.23 0.00 0.00 178.00 177.88 1p9p n GLY 59 N 0.42 1.52 3.41 1.56 0.00 -1.26 -5.13 105.19 105.70 1p9p n GLY 59 Ca -0.06 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1p9p n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p9p s MET 60 N 4.47 1.52 0.33 1.61 -1.94 -1.26 -4.61 119.30 119.42 1p9p s MET 60 Ca 0.00 -1.80 0.09 0.00 -1.71 0.00 0.00 55.69 52.27 1p9p s MET 60 Cb 0.00 -0.89 -0.06 0.00 2.01 0.00 0.00 34.83 35.89 1p9p s MET 60 CO 0.00 -0.09 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.31 1p9p s LEU 61 N -3.42 2.70 0.25 -0.03 1.43 -0.47 -1.32 118.68 117.83 1p9p s LEU 61 Ca 0.32 -1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 1p9p s LEU 61 Cb 0.06 -0.98 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 1p9p s LEU 61 CO 0.12 -0.20 1.26 -0.04 0.23 0.00 0.00 176.35 177.73 1p9p s MET 62 N -3.61 4.43 0.35 1.70 -1.94 -0.47 0.41 119.30 120.18 1p9p s MET 62 Ca 0.32 2.04 -0.29 0.00 -1.71 0.00 0.00 55.69 56.06 1p9p s MET 62 Cb 0.02 -3.16 -0.11 0.00 2.01 0.00 0.00 34.83 33.59 1p9p s MET 62 CO 0.16 -0.13 1.44 1.41 -0.01 0.00 0.00 175.02 177.88 1p9p s MET 63 N -0.89 4.20 0.02 2.03 1.75 0.26 -4.63 119.30 122.04 1p9p s MET 63 Ca 0.52 2.45 -0.22 0.00 -1.25 0.00 0.00 55.69 57.19 1p9p s MET 63 Cb -0.36 -3.01 -0.16 0.00 2.84 0.00 0.00 34.83 34.13 1p9p s MET 63 CO 0.43 -0.43 1.32 0.28 -0.65 0.00 0.00 175.02 175.97 1p9p h VAL 64 N 3.06 1.36 -0.44 10.11 2.07 -1.93 -3.12 116.25 127.37 1p9p h VAL 64 Ca -0.50 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.71 1p9p h VAL 64 Cb 1.23 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1p9p h VAL 64 CO 0.67 0.37 0.17 -0.61 0.02 0.00 0.00 177.57 178.19 1p9p h GLN 65 N -0.14 0.66 0.00 1.57 -0.00 -1.98 0.40 115.11 115.63 1p9p h GLN 65 Ca 0.02 -0.12 -0.11 0.00 -0.00 0.00 0.00 58.65 58.44 1p9p h GLN 65 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 1p9p h GLN 65 CO 0.03 0.61 -0.51 -1.35 0.00 0.00 0.00 178.83 177.61 1p9p h PRO 66 N 0.57 0.00 0.00 -2.39 0.11 -1.79 -0.97 132.00 127.53 1p9p h PRO 66 Ca 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1p9p h PRO 66 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1p9p h PRO 66 CO -0.01 0.51 -0.00 1.25 -0.21 0.00 0.00 178.00 179.54 1p9p h LEU 67 N 0.00 -0.00 -0.98 2.35 7.12 -1.37 -2.49 115.31 119.93 1p9p h LEU 67 Ca -0.01 -0.35 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 1p9p h LEU 67 Cb 0.91 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.99 1p9p h LEU 67 CO 0.07 0.35 0.49 0.03 -0.13 0.00 0.00 178.44 179.25 1p9p h ARG 68 N -0.36 1.20 -0.50 1.25 3.08 -0.76 -1.15 114.38 117.13 1p9p h ARG 68 Ca -0.00 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1p9p h ARG 68 Cb 0.36 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1p9p h ARG 68 CO 0.00 0.87 0.14 -0.44 -1.07 0.00 0.00 179.97 179.46 1p9p h ASP 69 N 1.21 0.75 -0.65 7.04 3.32 -1.18 0.10 116.42 127.02 1p9p h ASP 69 Ca 0.31 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1p9p h ASP 69 Cb 0.00 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1p9p h ASP 69 CO -0.05 0.78 0.37 0.00 -1.72 0.00 0.00 179.24 178.62 1p9p h ALA 70 N 1.00 0.83 -0.24 3.45 0.00 -1.13 -1.80 119.26 121.38 1p9p h ALA 70 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1p9p h ALA 70 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1p9p h ALA 70 CO -0.00 0.33 0.05 0.82 0.00 0.00 0.00 179.25 180.45 1p9p h ILE 71 N 0.89 1.22 -0.62 0.00 2.04 -0.86 -2.72 117.51 117.46 1p9p h ILE 71 Ca 0.23 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.49 1p9p h ILE 71 Cb 0.01 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1p9p h ILE 71 CO -0.04 0.23 0.19 0.45 0.00 0.00 0.00 178.15 178.98 1p9p h HIS 72 N 0.20 0.32 -0.45 1.37 3.86 -0.64 -0.65 115.15 119.16 1p9p h HIS 72 Ca 0.07 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1p9p h HIS 72 Cb 0.29 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1p9p h HIS 72 CO 0.01 0.04 0.17 0.00 0.86 0.00 0.00 177.93 179.01 1p9p h ALA 73 N 1.46 1.46 0.00 2.45 0.00 -1.21 0.24 119.26 123.66 1p9p h ALA 73 Ca 0.32 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1p9p h ALA 73 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1p9p h ALA 73 CO -0.36 0.41 -0.74 0.00 0.00 0.00 0.00 179.25 178.57 1p9p h ALA 74 N 1.55 0.77 -0.51 0.00 0.00 -0.94 -2.08 119.26 118.06 1p9p h ALA 74 Ca 0.15 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1p9p h ALA 74 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p9p h ALA 74 CO -0.01 0.92 -0.16 0.87 0.00 0.00 0.00 179.25 180.87 1p9p h LYS 75 N 0.00 1.00 -0.21 0.00 1.57 -0.02 -1.05 116.57 117.87 1p9p h LYS 75 Ca -0.01 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1p9p h LYS 75 Cb 1.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1p9p h LYS 75 CO 0.10 1.08 0.03 0.00 -0.57 0.00 0.00 179.45 180.09 1p9p h ALA 76 N 0.89 0.28 -0.62 3.86 0.00 -0.43 0.27 119.26 123.52 1p9p h ALA 76 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1p9p h ALA 76 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1p9p h ALA 76 CO 0.06 -0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.61 1p9p h ALA 77 N 0.83 0.80 0.17 0.00 0.00 -1.19 -3.29 119.26 116.57 1p9p h ALA 77 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1p9p h ALA 77 Cb 0.33 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1p9p h ALA 77 CO 0.00 0.31 -1.31 0.00 0.00 0.00 0.00 179.25 178.25 1p9p h ALA 78 N 1.17 0.01 -0.64 0.00 0.00 -1.11 -3.51 119.26 115.18 1p9p h ALA 78 Ca 0.22 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1p9p h ALA 78 Cb 0.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p9p h ALA 78 CO -0.04 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1p9p n GLY 79 N 1.56 -0.07 3.63 0.00 0.00 0.08 -4.79 105.19 105.59 1p9p n GLY 79 Ca -0.12 -1.02 -0.48 0.00 0.00 0.00 0.00 46.02 44.40 1p9p n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p9p n GLU 80 N -0.06 1.61 -1.15 1.61 -0.58 -1.26 -2.96 120.64 117.85 1p9p n GLU 80 Ca 0.00 0.58 -0.04 0.00 -0.42 0.00 0.00 57.16 57.28 1p9p n GLU 80 Cb 0.00 -2.21 -0.02 0.00 -0.57 0.00 0.00 31.44 28.64 1p9p n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p9p n GLY 81 N 2.50 0.67 3.48 0.62 0.00 -1.26 -4.99 105.19 106.22 1p9p n GLY 81 Ca 0.15 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1p9p n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9p s ALA 82 N -2.15 3.29 -0.04 4.61 0.00 -1.16 -4.56 121.76 121.75 1p9p s ALA 82 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 1p9p s ALA 82 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1p9p s ALA 82 CO 0.00 -2.15 1.46 0.21 0.00 0.00 0.00 175.76 175.28 1p9p s LYS 83 N 3.18 4.24 -0.26 0.00 2.20 -1.02 -4.80 119.74 123.28 1p9p s LYS 83 Ca 0.22 1.99 -0.19 0.00 -0.36 0.00 0.00 55.97 57.63 1p9p s LYS 83 Cb -0.16 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 1p9p s LYS 83 CO 0.15 -0.68 0.56 0.08 -0.36 0.00 0.00 175.35 175.10 1p9p s VAL 84 N 3.08 5.03 -0.13 4.02 1.01 -1.26 -1.32 120.40 130.83 1p9p s VAL 84 Ca 0.65 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 1p9p s VAL 84 Cb -0.30 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1p9p s VAL 84 CO 0.25 0.04 -0.06 -0.63 0.00 0.00 0.00 175.10 174.70 1p9p s ILE 85 N 2.40 3.67 -0.21 2.22 1.01 0.64 -0.30 121.20 130.63 1p9p s ILE 85 Ca 0.23 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1p9p s ILE 85 Cb -0.16 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1p9p s ILE 85 CO 0.09 0.53 0.03 -0.47 0.00 0.00 0.00 174.94 175.12 1p9p s TYR 86 N 0.07 3.08 -0.13 3.97 5.04 0.50 0.63 117.35 130.51 1p9p s TYR 86 Ca -0.02 -0.36 -0.29 0.00 -2.44 0.00 0.00 57.07 53.96 1p9p s TYR 86 Cb -0.14 -2.12 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 1p9p s TYR 86 CO 0.03 -0.21 1.34 -0.51 -1.34 0.00 0.00 175.55 174.87 1p9p s LEU 87 N 1.06 4.22 -0.26 6.97 1.02 -0.75 -0.84 118.68 130.11 1p9p s LEU 87 Ca 0.03 1.83 -0.23 0.00 0.02 0.00 0.00 54.13 55.78 1p9p s LEU 87 Cb -0.14 -3.54 0.07 0.00 0.02 0.00 0.00 46.19 42.59 1p9p s LEU 87 CO 0.02 -0.78 0.69 -0.55 0.02 0.00 0.00 176.35 175.75 1p9p s SER 88 N 2.21 -0.73 0.15 2.29 0.15 0.19 -4.58 113.70 113.38 1p9p s SER 88 Ca 0.59 1.39 0.11 0.00 0.70 0.00 0.00 55.95 58.74 1p9p s SER 88 Cb -0.25 1.40 0.58 0.00 -1.71 0.00 0.00 66.02 66.04 1p9p s SER 88 CO 0.19 -0.24 1.33 -0.81 1.20 0.00 0.00 173.24 174.91 1p9p n PRO 89 N 2.81 0.07 -0.20 5.44 -0.04 -1.26 -0.97 135.00 140.84 1p9p n PRO 89 Ca -0.14 0.55 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 1p9p n PRO 89 Cb 0.55 -1.72 0.22 0.00 -0.04 0.00 0.00 33.50 32.52 1p9p n PRO 89 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1p9p n GLN 90 N -1.86 2.00 -1.69 0.54 3.00 -1.26 -4.87 117.38 113.24 1p9p n GLN 90 Ca -0.00 -1.55 -0.12 0.00 -0.01 0.00 0.00 57.00 55.32 1p9p n GLN 90 Cb 0.03 -1.36 0.06 0.00 0.00 0.00 0.00 30.24 28.97 1p9p n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1p9p n GLY 91 N 1.21 0.75 3.67 1.08 0.00 -0.15 -4.96 105.19 106.80 1p9p n GLY 91 Ca 0.15 -2.00 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 1p9p n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1p9p n ARG 92 N -1.99 2.19 -2.03 1.61 0.63 0.10 -4.05 116.66 113.11 1p9p n ARG 92 Ca 0.09 0.79 -0.42 0.00 -0.92 0.00 0.00 57.85 57.38 1p9p n ARG 92 Cb 0.32 -2.54 -0.03 0.00 0.45 0.00 0.00 32.46 30.66 1p9p n ARG 92 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1p9p s LYS 93 N 0.65 4.12 0.33 -0.14 2.20 -1.26 -0.15 119.74 125.49 1p9p s LYS 93 Ca 0.76 2.10 -0.29 0.00 -0.36 0.00 0.00 55.97 58.18 1p9p s LYS 93 Cb -0.66 -3.99 -0.11 0.00 -1.51 0.00 0.00 37.83 31.56 1p9p s LYS 93 CO 0.40 -0.91 1.54 -1.17 -0.36 0.00 0.00 175.35 174.84 1p9p s LEU 94 N 4.22 4.33 0.29 5.43 0.20 -0.23 -4.91 118.68 128.01 1p9p s LEU 94 Ca 0.73 2.99 -0.13 0.00 0.69 0.00 0.00 54.13 58.41 1p9p s LEU 94 Cb -0.32 -3.65 0.01 0.00 -0.43 0.00 0.00 46.19 41.80 1p9p s LEU 94 CO 0.29 -0.88 0.56 1.51 -0.29 0.00 0.00 176.35 177.53 1p9p s ASP 95 N 0.18 0.07 0.32 3.68 1.47 -1.26 -4.93 116.67 116.21 1p9p s ASP 95 Ca 0.58 -1.01 0.05 0.00 1.18 0.00 0.00 52.55 53.35 1p9p s ASP 95 Cb -0.47 0.66 0.67 0.00 -0.34 0.00 0.00 42.92 43.44 1p9p s ASP 95 CO 0.55 -1.28 1.88 -0.61 0.68 0.00 0.00 175.17 176.39 1p9p h GLN 96 N 2.16 0.83 -0.16 2.11 5.75 -1.99 -0.44 115.11 123.37 1p9p h GLN 96 Ca -0.26 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.18 1p9p h GLN 96 Cb 1.25 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1p9p h GLN 96 CO 0.35 0.55 0.08 0.00 -2.65 0.00 0.00 178.83 177.16 1p9p h ALA 97 N 1.56 0.21 -0.09 3.38 0.00 -2.00 -1.87 119.26 120.46 1p9p h ALA 97 Ca 0.43 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1p9p h ALA 97 Cb 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1p9p h ALA 97 CO -0.20 -0.23 -0.12 0.78 0.00 0.00 0.00 179.25 179.48 1p9p h GLY 98 N 0.14 0.14 0.92 0.00 0.00 -1.63 -1.06 103.07 101.58 1p9p h GLY 98 Ca 0.06 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1p9p h GLY 98 CO -0.01 0.07 0.63 -2.08 0.00 0.00 0.00 176.54 175.15 1p9p h VAL 99 N 0.13 1.16 0.86 4.60 2.07 -0.40 0.36 116.25 125.03 1p9p h VAL 99 Ca 0.03 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1p9p h VAL 99 Cb 0.30 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1p9p h VAL 99 CO 0.02 0.22 -0.50 0.28 0.02 0.00 0.00 177.57 177.61 1p9p h SER 100 N 1.20 -1.24 -0.50 0.57 0.02 -0.47 0.28 113.55 113.42 1p9p h SER 100 Ca 0.38 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.50 1p9p h SER 100 Cb 0.02 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 1p9p h SER 100 CO -0.12 -0.78 -0.22 -0.33 -1.14 0.00 0.00 176.83 174.24 1p9p h GLU 101 N -1.26 -0.10 -0.80 3.45 5.08 -0.93 -2.02 114.58 118.00 1p9p h GLU 101 Ca -0.12 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1p9p h GLU 101 Cb 1.00 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1p9p h GLU 101 CO 0.14 -0.07 0.50 -0.07 -1.00 0.00 0.00 179.01 178.51 1p9p h LEU 102 N -0.10 0.95 -1.35 1.33 3.38 0.15 -2.54 115.31 117.12 1p9p h LEU 102 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p9p h LEU 102 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1p9p h LEU 102 CO -0.57 0.72 0.01 0.00 0.09 0.00 0.00 178.44 178.69 1p9p n ALA 103 N -2.34 1.03 0.54 1.53 0.00 0.96 -1.61 120.51 120.62 1p9p n ALA 103 Ca 0.08 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1p9p n ALA 103 Cb 0.04 -1.28 0.45 0.00 0.00 0.00 0.00 19.45 18.67 1p9p n ALA 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1p9p n THR 104 N -2.22 0.70 -3.34 0.00 -1.04 -0.96 -4.84 114.28 102.58 1p9p n THR 104 Ca -0.01 0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 1p9p n THR 104 Cb 0.04 -0.89 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 1p9p n THR 104 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1p9p s ASN 105 N -4.03 6.70 -0.05 8.00 0.01 -0.63 -4.99 114.94 119.94 1p9p s ASN 105 Ca 0.08 1.03 0.20 0.00 -0.71 0.00 0.00 52.86 53.46 1p9p s ASN 105 Cb 0.11 -2.27 -0.25 0.00 0.41 0.00 0.00 41.25 39.25 1p9p s ASN 105 CO 0.45 -0.08 0.45 0.00 -1.51 0.00 0.00 177.10 176.42 1p9p n GLN 106 N -0.05 0.66 -4.26 -0.60 6.02 -1.26 -4.88 117.38 113.01 1p9p n GLN 106 Ca 0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1p9p n GLN 106 Cb 0.52 -1.60 -0.17 0.00 1.02 0.00 0.00 30.24 30.02 1p9p n GLN 106 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1p9p s LYS 107 N -3.06 1.17 0.03 -1.09 1.02 -1.26 -0.25 119.74 116.31 1p9p s LYS 107 Ca -0.07 -0.21 0.03 0.00 0.02 0.00 0.00 55.97 55.74 1p9p s LYS 107 Cb 0.10 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.29 1p9p s LYS 107 CO 0.86 -0.07 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.60 1p9p s LEU 108 N 0.96 2.15 -0.18 3.17 1.43 -0.40 -2.42 118.68 123.39 1p9p s LEU 108 Ca -0.10 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1p9p s LEU 108 Cb -0.15 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.68 1p9p s LEU 108 CO 0.00 -0.01 -0.19 -0.63 0.23 0.00 0.00 176.35 175.75 1p9p s ILE 109 N -0.78 1.99 -0.20 -0.59 1.01 -0.44 -0.31 121.20 121.87 1p9p s ILE 109 Ca -0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 1p9p s ILE 109 Cb -0.07 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1p9p s ILE 109 CO 0.01 0.52 0.08 -0.76 0.00 0.00 0.00 174.94 174.78 1p9p s LEU 110 N 1.32 3.77 -0.24 2.97 1.43 0.15 -0.26 118.68 127.81 1p9p s LEU 110 Ca 0.05 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1p9p s LEU 110 Cb -0.13 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1p9p s LEU 110 CO -0.13 0.11 0.14 -0.69 0.23 0.00 0.00 176.35 176.01 1p9p s VAL 111 N 0.73 5.06 -0.32 -1.59 1.01 0.20 -1.40 120.40 124.10 1p9p s VAL 111 Ca 0.04 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1p9p s VAL 111 Cb -0.13 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1p9p s VAL 111 CO 0.02 0.34 0.16 0.00 0.00 0.00 0.00 175.10 175.62 1p9p s GLY 113 N 1.59 1.59 0.18 0.00 0.00 -1.26 -4.65 107.32 104.77 1p9p s GLY 113 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1p9p s GLY 113 CO 0.06 -0.08 0.06 0.50 0.00 0.00 0.00 173.10 173.64 1p9p s ARG 114 N -5.00 1.10 5.14 2.90 3.00 -1.26 -0.17 118.95 124.65 1p9p s ARG 114 Ca 0.52 -1.55 0.00 0.00 0.00 0.00 0.00 55.73 54.70 1p9p s ARG 114 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 34.95 34.86 1p9p s ARG 114 CO 0.50 -0.25 0.00 0.66 0.00 0.00 0.00 175.30 176.20 1p9p n TYR 115 N -0.23 0.00 0.18 -0.53 4.02 -1.26 -2.28 117.16 117.06 1p9p n TYR 115 Ca -0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.95 1p9p n TYR 115 Cb 0.64 0.04 0.25 0.00 -0.02 0.00 0.00 39.34 40.25 1p9p n TYR 115 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1p9p n GLU 116 N 12.07 2.33 0.00 -0.72 -0.58 -0.43 -4.95 120.64 128.36 1p9p n GLU 116 Ca 0.00 -2.06 0.00 0.00 -0.42 0.00 0.00 57.16 54.68 1p9p n GLU 116 Cb 0.00 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1p9p n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p9p n GLY 117 N 1.41 0.46 3.26 0.62 0.00 -0.97 -4.97 105.19 105.00 1p9p n GLY 117 Ca 0.19 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 1p9p n GLY 117 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p9p s ILE 118 N -0.75 1.39 0.04 -0.61 -4.36 -1.26 -1.36 121.20 114.29 1p9p s ILE 118 Ca 0.00 -1.79 -0.32 0.00 -0.26 0.00 0.00 60.65 58.28 1p9p s ILE 118 Cb 0.00 -1.62 -0.11 0.00 1.25 0.00 0.00 42.46 41.99 1p9p s ILE 118 CO 0.00 -0.44 1.89 -0.67 0.24 0.00 0.00 174.94 175.95 1p9p n ASP 119 N 0.39 3.89 -0.34 4.36 -0.08 -1.26 -4.92 116.55 118.59 1p9p n ASP 119 Ca -0.14 0.96 0.15 0.00 -1.51 0.00 0.00 54.79 54.24 1p9p n ASP 119 Cb 0.57 -1.49 0.30 0.00 2.34 0.00 0.00 41.12 42.84 1p9p n ASP 119 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1p9p n GLU 120 N 6.45 -0.08 0.12 -0.67 4.07 -1.26 -0.79 120.64 128.49 1p9p n GLU 120 Ca 0.20 1.48 0.04 0.00 -0.06 0.00 0.00 57.16 58.82 1p9p n GLU 120 Cb 0.36 -2.36 0.46 0.00 -0.06 0.00 0.00 31.44 29.83 1p9p n GLU 120 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1p9p h ARG 121 N 0.00 0.25 -0.44 5.31 -0.00 -1.99 -1.06 114.38 116.45 1p9p h ARG 121 Ca 0.61 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.96 1p9p h ARG 121 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 31.16 1p9p h ARG 121 CO -0.93 0.28 -0.07 0.28 0.00 0.00 0.00 179.97 179.53 1p9p h VAL 122 N 0.25 1.25 -0.41 2.04 2.07 -1.34 -2.09 116.25 118.02 1p9p h VAL 122 Ca 0.06 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1p9p h VAL 122 Cb 0.19 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1p9p h VAL 122 CO 0.00 0.38 -0.15 0.40 0.02 0.00 0.00 177.57 178.22 1p9p h ILE 123 N 0.71 1.28 0.00 4.57 2.04 -0.90 0.85 117.51 126.05 1p9p h ILE 123 Ca 0.13 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1p9p h ILE 123 Cb 0.54 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1p9p h ILE 123 CO 0.03 0.43 0.00 1.56 0.00 0.00 0.00 178.15 180.17 1p9p h GLN 124 N 0.64 0.00 0.00 2.37 4.20 -1.09 -2.45 115.11 118.78 1p9p h GLN 124 Ca 0.10 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.56 1p9p h GLN 124 Cb 0.70 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1p9p h GLN 124 CO 0.05 0.00 -1.92 2.41 -0.67 0.00 0.00 178.83 178.70 1p9p n THR 125 N -2.89 0.92 0.32 -0.54 -1.04 -0.80 -4.72 114.28 105.53 1p9p n THR 125 Ca 0.01 -0.43 0.07 0.00 -2.04 0.00 0.00 64.05 61.67 1p9p n THR 125 Cb 0.30 -0.94 -0.10 0.00 -1.82 0.00 0.00 70.33 67.77 1p9p n THR 125 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p9p n GLU 126 N -2.81 1.23 -5.06 -2.82 -0.58 0.28 -5.04 120.64 105.84 1p9p n GLU 126 Ca -0.26 -0.07 -0.32 0.00 -0.42 0.00 0.00 57.16 56.08 1p9p n GLU 126 Cb 0.85 -1.28 -0.14 0.00 -0.57 0.00 0.00 31.44 30.29 1p9p n GLU 126 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1p9p s ILE 127 N -2.75 2.64 -0.13 -3.67 -1.09 -0.92 -4.82 121.20 110.46 1p9p s ILE 127 Ca -0.00 -0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1p9p s ILE 127 Cb 0.10 -1.99 -0.25 0.00 -1.58 0.00 0.00 42.46 38.74 1p9p s ILE 127 CO 0.62 0.59 0.32 0.47 -1.23 0.00 0.00 174.94 175.70 1p9p n ASP 128 N 2.39 1.90 -3.67 3.58 8.00 0.60 -4.80 116.55 124.55 1p9p n ASP 128 Ca -0.17 0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.37 1p9p n ASP 128 Cb 0.52 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1p9p n ASP 128 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1p9p s GLU 129 N -2.56 0.77 -0.11 -1.24 -1.05 -0.82 -5.03 118.70 108.67 1p9p s GLU 129 Ca -0.22 0.16 -0.04 0.00 -0.15 0.00 0.00 54.97 54.73 1p9p s GLU 129 Cb 0.07 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 1p9p s GLU 129 CO 0.76 -0.20 0.04 -1.21 0.95 0.00 0.00 175.26 175.60 1p9p s GLU 130 N -0.89 3.23 -0.02 -4.83 2.02 -1.26 -0.37 118.70 116.57 1p9p s GLU 130 Ca -0.09 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.59 1p9p s GLU 130 Cb -0.03 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1p9p s GLU 130 CO 0.05 0.66 -0.08 -1.58 0.02 0.00 0.00 175.26 174.33 1p9p s TRP 131 N -0.75 0.85 0.04 1.61 0.52 -0.02 -0.73 118.94 120.47 1p9p s TRP 131 Ca 0.12 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1p9p s TRP 131 Cb -0.12 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 1p9p s TRP 131 CO 0.02 -0.08 -0.11 0.45 0.02 0.00 0.00 176.95 177.25 1p9p s SER 132 N 0.15 4.28 0.00 2.95 0.15 0.79 -0.64 113.70 121.38 1p9p s SER 132 Ca -0.02 -0.30 0.28 0.00 0.70 0.00 0.00 55.95 56.61 1p9p s SER 132 Cb -0.07 -0.86 1.16 0.00 -1.71 0.00 0.00 66.02 64.54 1p9p s SER 132 CO 0.00 0.25 1.83 2.30 1.20 0.00 0.00 173.24 178.82 1p9p n ILE 133 N 1.36 0.00 0.00 6.45 -5.35 -1.26 -1.07 119.36 119.49 1p9p n ILE 133 Ca -0.15 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1p9p n ILE 133 Cb 0.52 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1p9p n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p9p n GLY 134 N 1.33 3.25 2.70 3.28 0.00 -1.26 -4.71 105.19 109.78 1p9p n GLY 134 Ca 0.12 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1p9p n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p9p n ASP 135 N 0.00 4.46 -3.71 1.61 10.43 -1.26 -4.74 116.55 123.35 1p9p n ASP 135 Ca 0.00 -2.38 -0.10 0.00 2.57 0.00 0.00 54.79 54.88 1p9p n ASP 135 Cb 0.00 -1.10 -0.03 0.00 1.84 0.00 0.00 41.12 41.83 1p9p n ASP 135 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1p9p s TYR 136 N 3.69 -0.20 -0.12 1.24 -0.85 -1.26 -5.16 117.35 114.69 1p9p s TYR 136 Ca 0.42 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.83 1p9p s TYR 136 Cb 0.11 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.91 1p9p s TYR 136 CO -0.01 -0.97 -0.15 0.08 -1.52 0.00 0.00 175.55 172.99 1p9p s VAL 137 N -3.86 2.89 0.30 -3.49 1.01 -1.26 -4.89 120.40 111.09 1p9p s VAL 137 Ca 0.08 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1p9p s VAL 137 Cb -0.02 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1p9p s VAL 137 CO -0.03 0.53 0.15 -0.76 0.00 0.00 0.00 175.10 175.00 1p9p s LEU 138 N 0.33 3.45 0.00 3.92 1.43 -1.26 -5.02 118.68 121.53 1p9p s LEU 138 Ca -0.12 -0.56 0.20 0.00 -1.03 0.00 0.00 54.13 52.63 1p9p s LEU 138 Cb -0.16 -1.98 0.73 0.00 0.03 0.00 0.00 46.19 44.80 1p9p s LEU 138 CO 0.06 -0.17 1.53 -1.54 0.23 0.00 0.00 176.35 176.46 1p9p n SER 139 N -1.14 1.69 -3.55 2.29 3.41 -1.26 -4.94 113.62 110.11 1p9p n SER 139 Ca -0.05 -1.72 -0.13 0.00 -0.26 0.00 0.00 58.87 56.71 1p9p n SER 139 Cb 0.60 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1p9p n SER 139 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1p9p s GLY 140 N -1.54 -0.45 0.00 5.00 0.00 -1.26 -4.28 107.32 104.79 1p9p s GLY 140 Ca 0.32 0.45 0.29 0.00 0.00 0.00 0.00 44.72 45.77 1p9p s GLY 140 CO 0.26 0.15 1.85 0.61 0.00 0.00 0.00 173.10 175.96 1p9p n GLY 141 N 0.08 -0.65 0.35 0.20 0.00 0.75 -4.46 105.19 101.46 1p9p n GLY 141 Ca -0.17 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 1p9p n GLY 141 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p9p h GLU 142 N 1.05 -0.82 -0.48 1.61 3.07 -1.92 0.19 114.58 117.28 1p9p h GLU 142 Ca 0.00 0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1p9p h GLU 142 Cb 0.36 0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 1p9p h GLU 142 CO 0.00 -0.52 0.27 -0.07 -1.40 0.00 0.00 179.01 177.28 1p9p h LEU 143 N -0.93 0.42 -0.53 1.33 3.38 -1.99 0.48 115.31 117.47 1p9p h LEU 143 Ca -0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1p9p h LEU 143 Cb 0.68 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1p9p h LEU 143 CO 0.14 0.29 0.34 -0.65 0.09 0.00 0.00 178.44 178.66 1p9p h PRO 144 N 0.53 0.67 0.06 1.13 0.11 -1.75 0.87 132.00 133.62 1p9p h PRO 144 Ca 0.20 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1p9p h PRO 144 Cb 0.06 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1p9p h PRO 144 CO -0.11 0.44 -0.09 0.00 -0.21 0.00 0.00 178.00 178.03 1p9p h ALA 145 N 1.21 -0.15 -0.84 -0.75 0.00 -0.05 0.85 119.26 119.53 1p9p h ALA 145 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1p9p h ALA 145 Cb -0.04 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1p9p h ALA 145 CO -0.06 -0.60 0.50 0.52 0.00 0.00 0.00 179.25 179.61 1p9p h MET 146 N -0.19 1.15 -0.82 0.00 2.86 0.08 0.21 114.93 118.21 1p9p h MET 146 Ca 0.02 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1p9p h MET 146 Cb 0.20 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1p9p h MET 146 CO -0.05 0.81 0.42 1.15 1.06 0.00 0.00 176.91 180.30 1p9p h THR 147 N 1.16 1.25 -0.32 2.22 2.02 -0.53 0.28 112.91 119.00 1p9p h THR 147 Ca 0.30 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1p9p h THR 147 Cb -0.04 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1p9p h THR 147 CO -0.06 0.29 -0.10 0.25 0.37 0.00 0.00 175.52 176.27 1p9p h LEU 148 N 1.16 0.64 -0.94 2.58 6.46 0.02 -2.22 115.31 123.02 1p9p h LEU 148 Ca 0.29 -0.38 -0.08 0.00 -0.12 0.00 0.00 57.88 57.58 1p9p h LEU 148 Cb 0.07 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1p9p h LEU 148 CO -0.04 0.88 -0.12 0.40 -0.62 0.00 0.00 178.44 178.94 1p9p h ILE 149 N 0.41 1.25 -0.10 4.05 2.04 0.07 -2.04 117.51 123.18 1p9p h ILE 149 Ca 0.08 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1p9p h ILE 149 Cb 0.61 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1p9p h ILE 149 CO 0.04 0.37 -0.16 -0.78 0.00 0.00 0.00 178.15 177.62 1p9p h ASP 150 N 0.59 0.31 0.15 1.72 1.82 -0.39 -1.77 116.42 118.85 1p9p h ASP 150 Ca 0.10 -0.53 -0.09 0.00 -0.39 0.00 0.00 57.03 56.12 1p9p h ASP 150 Cb 0.55 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1p9p h ASP 150 CO 0.03 0.78 -0.32 0.77 -1.61 0.00 0.00 179.24 178.90 1p9p h SER 151 N -0.16 0.26 0.27 2.28 4.64 -1.29 -2.99 113.55 116.56 1p9p h SER 151 Ca 0.01 -0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 61.00 1p9p h SER 151 Cb 0.72 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1p9p h SER 151 CO 0.04 0.57 -0.98 0.58 -0.87 0.00 0.00 176.83 176.17 1p9p h VAL 152 N 0.22 1.37 -0.08 0.95 2.07 -1.36 -3.15 116.25 116.28 1p9p h VAL 152 Ca 0.03 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 1p9p h VAL 152 Cb 0.68 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1p9p h VAL 152 CO 0.05 0.73 0.01 0.77 0.02 0.00 0.00 177.57 179.15 1p9p h SER 153 N 0.26 0.10 0.00 0.57 4.64 -1.17 0.15 113.55 118.09 1p9p h SER 153 Ca -0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1p9p h SER 153 Cb 1.62 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1p9p h SER 153 CO 0.18 0.12 0.14 0.03 -0.87 0.00 0.00 176.83 176.42 1p9p h ARG 154 N 0.11 0.00 0.00 4.77 3.08 -1.50 -0.86 114.38 119.99 1p9p h ARG 154 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1p9p h ARG 154 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1p9p h ARG 154 CO -0.00 0.00 -0.71 1.19 -1.07 0.00 0.00 179.97 179.38 1p9p n PHE 155 N -2.52 0.15 -2.52 3.04 3.01 0.51 -4.62 117.46 114.51 1p9p n PHE 155 Ca -0.02 0.04 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 1p9p n PHE 155 Cb 0.18 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.29 1p9p n PHE 155 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1p9p s ILE 156 N -3.07 4.12 0.21 4.37 1.01 -0.33 -4.94 121.20 122.57 1p9p s ILE 156 Ca 0.08 1.65 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 1p9p s ILE 156 Cb 0.16 -4.06 0.20 0.00 0.01 0.00 0.00 42.46 38.77 1p9p s ILE 156 CO 0.75 0.20 1.66 -0.65 0.00 0.00 0.00 174.94 176.90 1p9p h PRO 157 N 6.01 0.11 0.00 2.79 0.11 -1.89 -1.58 132.00 137.55 1p9p h PRO 157 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1p9p h PRO 157 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1p9p h PRO 157 CO 0.76 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 1p9p n GLY 158 N -1.37 -1.00 0.17 -0.55 0.00 -1.26 -4.32 105.19 96.86 1p9p n GLY 158 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1p9p n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1p9p h VAL 159 N 0.00 0.79 -3.20 1.61 2.07 -1.55 -3.40 116.25 112.58 1p9p h VAL 159 Ca 0.00 -0.68 -0.60 0.00 0.82 0.00 0.00 66.70 66.24 1p9p h VAL 159 Cb 0.07 1.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.91 1p9p h VAL 159 CO 0.00 0.14 -0.36 -0.76 0.02 0.00 0.00 177.57 176.61 1p9p s LEU 160 N -9.45 4.27 -0.12 2.57 1.43 -1.26 -4.94 118.68 111.18 1p9p s LEU 160 Ca -0.14 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1p9p s LEU 160 Cb 0.02 -2.32 0.18 0.00 0.03 0.00 0.00 46.19 44.10 1p9p s LEU 160 CO 0.56 0.16 1.23 0.61 0.23 0.00 0.00 176.35 179.14 1p9p n GLY 161 N 3.14 2.64 0.00 -3.19 0.00 -1.26 -4.99 105.19 101.53 1p9p n GLY 161 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1p9p n GLY 161 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p9p n GLU 173 N 0.07 0.00 0.00 1.61 4.07 -1.26 -5.24 120.64 119.89 1p9p n GLU 173 Ca 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1p9p n GLU 173 Cb 0.80 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.18 1p9p n GLU 173 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p9p n GLY 174 N 0.00 2.06 3.94 8.31 0.00 -1.26 -5.03 105.19 113.21 1p9p n GLY 174 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1p9p n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p9p s LEU 175 N 0.00 4.24 0.41 0.99 1.43 -1.26 -4.81 118.68 119.68 1p9p s LEU 175 Ca 0.00 0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 1p9p s LEU 175 Cb 0.00 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 1p9p s LEU 175 CO 0.00 -0.05 1.04 -0.76 0.23 0.00 0.00 176.35 176.81 1p9p s LEU 176 N -3.86 4.08 0.90 1.79 1.43 -1.26 -5.04 118.68 116.73 1p9p s LEU 176 Ca 0.34 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 1p9p s LEU 176 Cb -0.09 -4.27 0.14 0.00 0.03 0.00 0.00 46.19 42.00 1p9p s LEU 176 CO 0.28 -0.52 1.10 -0.62 0.23 0.00 0.00 176.35 176.82 1p9p s ASP 177 N -1.68 3.22 0.64 2.29 -1.08 -1.26 -4.51 116.67 114.29 1p9p s ASP 177 Ca 0.59 1.83 -0.06 0.00 -0.52 0.00 0.00 52.55 54.40 1p9p s ASP 177 Cb -0.20 -2.42 0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1p9p s ASP 177 CO 0.25 -2.85 0.94 0.00 0.52 0.00 0.00 175.17 174.03 1p9p s PRO 179 N -5.08 1.07 0.13 0.00 0.02 -1.26 -5.02 135.00 124.86 1p9p s PRO 179 Ca 0.57 1.01 0.07 0.00 0.02 0.00 0.00 61.00 62.66 1p9p s PRO 179 Cb -0.11 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1p9p s PRO 179 CO 0.44 -2.42 -0.16 -1.01 -0.33 0.00 0.00 177.00 173.52 1p9p s HIS 180 N -2.82 1.58 0.01 6.54 3.76 -1.26 -5.08 115.29 118.02 1p9p s HIS 180 Ca 0.64 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 55.03 1p9p s HIS 180 Cb -0.20 -0.82 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 1p9p s HIS 180 CO 0.58 0.21 0.01 0.71 -0.85 0.00 0.00 174.74 175.40 1p9p s TYR 181 N -1.96 0.16 -0.29 1.40 1.51 -1.26 -5.15 117.35 111.76 1p9p s TYR 181 Ca 0.10 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1p9p s TYR 181 Cb -0.06 -0.12 0.16 0.00 -0.11 0.00 0.00 41.96 41.83 1p9p s TYR 181 CO 0.04 -0.17 0.41 -0.08 -1.11 0.00 0.00 175.55 174.64 1p9p s THR 182 N -1.12 -0.63 0.00 -0.71 -1.32 -1.26 -5.15 115.64 105.46 1p9p s THR 182 Ca -0.12 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1p9p s THR 182 Cb -0.07 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1p9p s THR 182 CO -0.00 -0.28 0.00 0.54 -2.21 0.00 0.00 174.62 172.67 1p9p n ARG 183 N 5.35 0.00 -2.02 7.08 1.74 -1.26 -4.94 116.66 122.61 1p9p n ARG 183 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1p9p n ARG 183 Cb 0.49 -0.42 0.10 0.00 -1.02 0.00 0.00 32.46 31.61 1p9p n ARG 183 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1p9p s PRO 184 N -0.53 1.82 0.30 5.56 0.04 -1.26 -5.06 135.00 135.87 1p9p s PRO 184 Ca 0.00 -0.13 0.13 0.00 0.04 0.00 0.00 61.00 61.05 1p9p s PRO 184 Cb 0.00 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.95 1p9p s PRO 184 CO 0.00 -1.61 1.63 0.93 0.04 0.00 0.00 177.00 178.00 1p9p h GLU 185 N -0.99 0.00 -4.31 4.56 5.08 -1.92 -3.41 114.58 113.60 1p9p h GLU 185 Ca -0.45 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.38 1p9p h GLU 185 Cb 1.31 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.20 1p9p h GLU 185 CO 0.59 0.55 -0.81 0.08 -1.00 0.00 0.00 179.01 178.42 1p9p s VAL 186 N -3.53 1.09 -0.23 3.13 1.01 -1.26 -1.98 120.40 118.63 1p9p s VAL 186 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1p9p s VAL 186 Cb 0.12 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.48 1p9p s VAL 186 CO 0.74 0.37 -0.06 -0.22 0.00 0.00 0.00 175.10 175.93 1p9p s LEU 187 N 1.54 2.52 -1.35 3.92 2.96 -0.20 -4.76 118.68 123.31 1p9p s LEU 187 Ca 0.02 -1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 52.74 1p9p s LEU 187 Cb -0.13 -1.18 0.02 0.00 0.50 0.00 0.00 46.19 45.41 1p9p s LEU 187 CO -0.07 -0.23 0.98 -0.62 -1.32 0.00 0.00 176.35 175.10 1p9p n GLU 188 N 4.68 -6.38 -0.86 1.98 1.02 -1.26 -1.26 120.64 118.56 1p9p n GLU 188 Ca -0.12 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1p9p n GLU 188 Cb 0.44 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 1p9p n GLU 188 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p9p n GLY 189 N -1.62 0.67 3.50 0.62 0.00 -1.26 -4.98 105.19 102.12 1p9p n GLY 189 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1p9p n GLY 189 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p9p s MET 190 N -0.33 3.75 0.17 1.61 -1.94 -0.39 -5.08 119.30 117.10 1p9p s MET 190 Ca 0.00 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.50 1p9p s MET 190 Cb 0.00 -3.33 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 1p9p s MET 190 CO 0.00 -0.08 0.41 -1.21 -0.01 0.00 0.00 175.02 174.13 1p9p s GLU 191 N 1.35 3.62 0.12 2.03 2.02 -1.26 -1.03 118.70 125.55 1p9p s GLU 191 Ca 0.05 -0.08 -0.31 0.00 0.02 0.00 0.00 54.97 54.65 1p9p s GLU 191 Cb -0.15 -2.81 -0.09 0.00 0.10 0.00 0.00 34.13 31.18 1p9p s GLU 191 CO 0.04 0.42 1.62 0.08 0.02 0.00 0.00 175.26 177.44 1p9p s VAL 192 N -1.75 2.83 -0.08 2.63 1.01 -0.84 -4.87 120.40 119.34 1p9p s VAL 192 Ca 0.42 0.45 -0.40 0.00 0.00 0.00 0.00 61.98 62.45 1p9p s VAL 192 Cb -0.12 -3.29 -0.18 0.00 0.00 0.00 0.00 36.38 32.79 1p9p s VAL 192 CO 0.25 0.02 1.37 -2.65 0.00 0.00 0.00 175.10 174.09 1p9p n PRO 193 N 4.84 0.69 -0.27 2.72 -0.02 -1.26 -4.81 135.00 136.89 1p9p n PRO 193 Ca 0.15 0.25 0.21 0.00 -2.02 0.00 0.00 63.50 62.09 1p9p n PRO 193 Cb 0.39 -1.85 0.52 0.00 -0.02 0.00 0.00 33.50 32.55 1p9p n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1p9p h PRO 194 N 4.68 0.38 -0.84 0.52 0.11 -2.00 -0.85 132.00 134.00 1p9p h PRO 194 Ca -0.48 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.78 1p9p h PRO 194 Cb 1.36 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1p9p h PRO 194 CO 0.80 0.25 0.56 0.28 -0.21 0.00 0.00 178.00 179.68 1p9p h VAL 195 N 0.39 0.74 0.00 3.15 2.07 -1.96 0.29 116.25 120.92 1p9p h VAL 195 Ca 0.52 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 1p9p h VAL 195 Cb 1.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1p9p h VAL 195 CO -0.21 0.08 -0.29 -0.07 0.02 0.00 0.00 177.57 177.10 1p9p h LEU 196 N 0.43 0.00 0.00 2.57 3.38 -1.48 -2.93 115.31 117.28 1p9p h LEU 196 Ca 0.43 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.21 1p9p h LEU 196 Cb 1.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1p9p h LEU 196 CO -0.15 0.29 -1.05 -0.07 0.09 0.00 0.00 178.44 177.54 1p9p h LEU 197 N 0.00 0.00 0.00 1.67 3.38 -0.54 -3.45 115.31 116.37 1p9p h LEU 197 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p9p h LEU 197 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1p9p h LEU 197 CO 0.04 0.76 0.00 -1.54 0.09 0.00 0.00 178.44 177.79 1p9p n SER 198 N -3.16 -0.33 0.00 -0.43 3.41 -0.70 -4.95 113.62 107.46 1p9p n SER 198 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1p9p n SER 198 Cb 0.88 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1p9p n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p9p n GLY 199 N 0.00 -0.13 3.55 5.00 0.00 -1.26 -5.02 105.19 107.33 1p9p n GLY 199 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1p9p n GLY 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p9p s ASN 200 N -0.09 4.55 0.26 1.61 3.84 -1.26 -4.84 114.94 119.01 1p9p s ASN 200 Ca 0.00 1.11 -0.01 0.00 0.21 0.00 0.00 52.86 54.17 1p9p s ASN 200 Cb 0.00 -2.50 0.48 0.00 -0.55 0.00 0.00 41.25 38.68 1p9p s ASN 200 CO 0.00 -2.79 1.82 -0.74 -2.79 0.00 0.00 177.10 172.60 1p9p h HIS 201 N 19.03 0.98 0.06 0.43 -0.00 -1.96 -1.45 115.15 132.24 1p9p h HIS 201 Ca -0.26 0.03 -0.29 0.00 -0.00 0.00 0.00 60.37 59.85 1p9p h HIS 201 Cb 1.26 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.34 1p9p h HIS 201 CO 0.96 0.38 -1.54 0.00 -0.00 0.00 0.00 177.93 177.73 1p9p h ALA 202 N 1.50 0.45 -0.55 5.26 0.00 -1.99 -2.51 119.26 121.42 1p9p h ALA 202 Ca 0.45 -1.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1p9p h ALA 202 Cb 0.45 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1p9p h ALA 202 CO -0.27 1.31 0.29 1.49 0.00 0.00 0.00 179.25 182.07 1p9p h GLU 203 N 0.04 0.76 -0.08 0.00 4.81 -1.91 -1.12 114.58 117.08 1p9p h GLU 203 Ca -0.23 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1p9p h GLU 203 Cb 1.98 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.20 1p9p h GLU 203 CO 0.13 0.57 -0.05 0.82 -0.73 0.00 0.00 179.01 179.74 1p9p h ILE 204 N 0.76 1.34 -0.80 2.32 2.04 -1.29 -1.75 117.51 120.13 1p9p h ILE 204 Ca 0.20 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1p9p h ILE 204 Cb 0.04 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1p9p h ILE 204 CO -0.03 0.31 0.53 -0.09 0.00 0.00 0.00 178.15 178.87 1p9p h ARG 205 N -0.21 0.98 -0.17 2.37 2.43 -1.37 -0.44 114.38 117.97 1p9p h ARG 205 Ca 0.02 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1p9p h ARG 205 Cb 0.51 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1p9p h ARG 205 CO 0.01 0.65 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.86 1p9p h ARG 206 N 1.01 0.41 -0.42 0.20 2.43 -1.15 -0.81 114.38 116.05 1p9p h ARG 206 Ca 0.31 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1p9p h ARG 206 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1p9p h ARG 206 CO -0.09 0.78 0.18 2.35 -1.51 0.00 0.00 179.97 181.69 1p9p h TRP 207 N 0.06 0.62 -0.03 2.20 7.01 -0.75 -0.92 115.95 124.14 1p9p h TRP 207 Ca 0.03 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1p9p h TRP 207 Cb 0.71 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1p9p h TRP 207 CO 0.08 0.53 -0.03 0.00 -2.79 0.00 0.00 178.44 176.23 1p9p h ARG 208 N 0.53 -0.05 -0.44 2.65 3.08 -1.04 0.57 114.38 119.69 1p9p h ARG 208 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1p9p h ARG 208 Cb 0.16 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1p9p h ARG 208 CO -0.01 -0.03 0.20 1.25 -1.07 0.00 0.00 179.97 180.31 1p9p h LEU 209 N -0.05 0.58 -0.17 3.04 5.85 -1.03 0.53 115.31 124.06 1p9p h LEU 209 Ca 0.02 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1p9p h LEU 209 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1p9p h LEU 209 CO -0.05 0.56 0.03 0.50 -0.34 0.00 0.00 178.44 179.13 1p9p h LYS 210 N 0.57 0.10 -0.51 1.25 3.64 -0.98 0.32 116.57 120.96 1p9p h LYS 210 Ca 0.15 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1p9p h LYS 210 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1p9p h LYS 210 CO -0.02 0.06 0.20 1.96 -2.27 0.00 0.00 179.45 179.38 1p9p h GLN 211 N 0.10 0.76 -0.82 1.90 1.08 -0.49 -0.19 115.11 117.45 1p9p h GLN 211 Ca 0.08 -0.14 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1p9p h GLN 211 Cb 0.07 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 1p9p h GLN 211 CO -0.10 0.68 0.51 0.77 -0.95 0.00 0.00 178.83 179.73 1p9p h SER 212 N 0.68 0.81 -0.21 1.46 0.02 0.48 -0.56 113.55 116.22 1p9p h SER 212 Ca 0.17 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1p9p h SER 212 Cb 0.20 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1p9p h SER 212 CO -0.01 0.53 0.01 -0.07 -1.14 0.00 0.00 176.83 176.15 1p9p h LEU 213 N 0.95 0.36 -0.76 5.07 3.38 0.40 -2.60 115.31 122.12 1p9p h LEU 213 Ca 0.35 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1p9p h LEU 213 Cb 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1p9p h LEU 213 CO -0.15 0.57 0.47 1.23 0.09 0.00 0.00 178.44 180.65 1p9p h GLY 214 N 0.14 1.09 0.81 0.83 0.00 -0.79 -1.90 103.07 103.25 1p9p h GLY 214 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1p9p h GLY 214 CO 0.01 0.43 -0.01 3.21 0.00 0.00 0.00 176.54 180.17 1p9p h ARG 215 N 1.03 0.36 -0.80 4.80 3.08 -1.12 0.10 114.38 121.84 1p9p h ARG 215 Ca 0.27 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.30 1p9p h ARG 215 Cb -0.06 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 1p9p h ARG 215 CO -0.05 0.58 0.52 1.15 -1.07 0.00 0.00 179.97 181.10 1p9p h THR 216 N 0.11 0.95 0.18 2.04 2.02 -1.40 0.23 112.91 117.04 1p9p h THR 216 Ca 0.06 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1p9p h THR 216 Cb 0.42 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1p9p h THR 216 CO 0.01 0.14 -0.09 -0.25 0.37 0.00 0.00 175.52 175.70 1p9p h TRP 217 N 0.74 -0.23 -0.69 3.16 7.01 -0.87 0.57 115.95 125.64 1p9p h TRP 217 Ca 0.37 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.36 1p9p h TRP 217 Cb 0.44 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 1p9p h TRP 217 CO -0.00 0.14 0.41 -0.07 -2.79 0.00 0.00 178.44 176.13 1p9p h LEU 218 N -0.64 0.84 0.00 0.65 3.38 -0.50 -3.27 115.31 115.78 1p9p h LEU 218 Ca -0.02 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.53 1p9p h LEU 218 Cb 0.47 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1p9p h LEU 218 CO 0.04 0.66 -2.29 0.54 0.09 0.00 0.00 178.44 177.48 1p9p n ARG 219 N -4.54 0.87 -3.16 1.13 1.74 0.77 -4.78 116.66 108.68 1p9p n ARG 219 Ca 0.06 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.99 1p9p n ARG 219 Cb 0.06 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1p9p n ARG 219 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1p9p n ARG 220 N -2.83 0.94 -0.03 5.56 5.12 0.12 -4.94 116.66 120.60 1p9p n ARG 220 Ca -0.34 -3.28 0.23 0.00 -1.93 0.00 0.00 57.85 52.53 1p9p n ARG 220 Cb 1.06 -1.62 0.71 0.00 -1.16 0.00 0.00 32.46 31.45 1p9p n ARG 220 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1p9p h PRO 221 N 3.11 0.00 0.00 5.56 0.13 -1.41 -0.75 132.00 138.64 1p9p h PRO 221 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1p9p h PRO 221 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1p9p h PRO 221 CO 0.48 0.00 -0.29 1.05 -0.23 0.00 0.00 178.00 179.01 1p9p h GLU 222 N 0.00 0.00 -0.54 0.86 9.09 -1.91 -1.98 114.58 120.10 1p9p h GLU 222 Ca 0.29 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.65 1p9p h GLU 222 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 1p9p h GLU 222 CO -0.00 0.29 0.11 -0.07 0.05 0.00 0.00 179.01 179.38 1p9p h LEU 223 N 0.00 0.79 -1.69 3.06 3.38 -1.45 -2.71 115.31 116.69 1p9p h LEU 223 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1p9p h LEU 223 Cb 0.58 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1p9p h LEU 223 CO 0.04 0.79 -0.10 -0.07 0.09 0.00 0.00 178.44 179.18 1p9p h LEU 224 N 0.81 0.00 -0.73 1.67 3.38 -1.44 -1.72 115.31 117.28 1p9p h LEU 224 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1p9p h LEU 224 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1p9p h LEU 224 CO 0.00 0.10 0.00 -0.33 0.09 0.00 0.00 178.44 178.30 1p9p h GLU 225 N 0.00 0.00 -0.45 1.13 4.39 -1.48 -2.75 114.58 115.41 1p9p h GLU 225 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1p9p h GLU 225 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1p9p h GLU 225 CO 0.01 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.95 1p9p n ASN 226 N -2.92 4.87 -4.39 1.42 3.02 -0.65 -4.92 115.26 111.69 1p9p n ASN 226 Ca 0.02 -2.90 -0.32 0.00 -0.03 0.00 0.00 54.58 51.35 1p9p n ASN 226 Cb 0.39 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.80 1p9p n ASN 226 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p9p s LEU 227 N -2.66 2.46 -0.50 3.41 1.43 -1.04 -5.08 118.68 116.69 1p9p s LEU 227 Ca 0.49 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1p9p s LEU 227 Cb 0.37 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 45.18 1p9p s LEU 227 CO 0.14 0.30 0.54 0.00 0.23 0.00 0.00 176.35 177.56 1p9p s ALA 228 N -0.47 3.47 0.38 4.21 0.00 -1.26 -5.00 121.76 123.09 1p9p s ALA 228 Ca 0.06 -1.98 -0.25 0.00 0.00 0.00 0.00 51.96 49.78 1p9p s ALA 228 Cb -0.12 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1p9p s ALA 228 CO 0.01 -1.94 1.05 -0.51 0.00 0.00 0.00 175.76 174.38 1p9p s LEU 229 N 2.20 4.21 0.84 0.00 1.43 -1.26 -5.05 118.68 121.05 1p9p s LEU 229 Ca 0.10 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 55.15 1p9p s LEU 229 Cb -0.22 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.00 1p9p s LEU 229 CO 0.09 -0.43 1.16 0.42 0.23 0.00 0.00 176.35 177.82 1p9p s THR 230 N -1.58 2.03 0.23 5.49 -4.23 -1.26 -4.88 115.64 111.44 1p9p s THR 230 Ca 0.55 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 1p9p s THR 230 Cb -0.23 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1p9p s THR 230 CO 0.30 -0.01 1.79 -0.33 -0.54 0.00 0.00 174.62 175.82 1p9p h GLU 231 N -1.20 1.09 -0.26 3.99 5.08 -1.99 -1.09 114.58 120.20 1p9p h GLU 231 Ca -0.47 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 57.69 1p9p h GLU 231 Cb 1.33 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1p9p h GLU 231 CO 0.65 0.91 0.13 0.93 -1.00 0.00 0.00 179.01 180.63 1p9p h GLU 232 N 1.06 0.27 -0.61 2.33 5.08 -1.99 0.43 114.58 121.15 1p9p h GLU 232 Ca 0.24 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1p9p h GLU 232 Cb 0.26 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1p9p h GLU 232 CO -0.01 0.18 0.28 1.96 -1.00 0.00 0.00 179.01 180.41 1p9p h GLN 233 N 0.28 0.88 -0.52 2.33 4.20 -1.87 -1.75 115.11 118.67 1p9p h GLN 233 Ca 0.11 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1p9p h GLN 233 Cb 0.02 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.60 1p9p h GLN 233 CO -0.07 0.73 0.25 0.00 -0.67 0.00 0.00 178.83 179.07 1p9p h ALA 234 N 1.11 0.66 -0.05 3.87 0.00 -0.69 -0.31 119.26 123.86 1p9p h ALA 234 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1p9p h ALA 234 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1p9p h ALA 234 CO -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 179.25 179.15 1p9p h ARG 235 N 0.49 0.07 -0.98 0.00 3.08 -0.62 0.69 114.38 117.11 1p9p h ARG 235 Ca 0.23 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.34 1p9p h ARG 235 Cb 0.16 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1p9p h ARG 235 CO -0.17 0.16 0.63 -0.07 -1.07 0.00 0.00 179.97 179.45 1p9p h LEU 236 N -0.04 1.01 0.47 3.04 3.38 -1.18 0.31 115.31 122.30 1p9p h LEU 236 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1p9p h LEU 236 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1p9p h LEU 236 CO -0.00 0.65 -0.23 0.25 0.09 0.00 0.00 178.44 179.20 1p9p h LEU 237 N 1.14 -0.54 -1.04 1.67 6.46 -0.71 0.29 115.31 122.58 1p9p h LEU 237 Ca 0.42 0.02 0.38 0.00 -0.12 0.00 0.00 57.88 58.58 1p9p h LEU 237 Cb 0.17 0.14 -0.16 0.00 -0.73 0.00 0.00 40.66 40.08 1p9p h LEU 237 CO -0.16 -0.28 0.58 0.00 -0.62 0.00 0.00 178.44 177.97 1p9p h ALA 238 N -1.49 2.13 -0.12 1.25 0.00 -0.82 2.31 119.26 122.52 1p9p h ALA 238 Ca -0.06 0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1p9p h ALA 238 Cb 0.49 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1p9p h ALA 238 CO 0.11 -0.83 -0.63 1.49 0.00 0.00 0.00 179.25 179.39 1p9p h GLU 239 N 0.15 0.45 -0.12 0.00 4.81 -0.08 -2.14 114.58 117.65 1p9p h GLU 239 Ca 0.80 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 59.65 1p9p h GLU 239 Cb 2.03 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 1p9p h GLU 239 CO -0.66 0.93 -0.16 0.35 -0.73 0.00 0.00 179.01 178.74 1p9p h PHE 240 N 0.33 0.39 -0.99 0.92 3.57 0.72 -2.62 116.94 119.26 1p9p h PHE 240 Ca -0.01 -0.13 0.10 0.00 3.53 0.00 0.00 57.97 61.47 1p9p h PHE 240 Cb 1.18 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.76 1p9p h PHE 240 CO 0.04 0.75 0.63 0.87 -2.23 0.00 0.00 178.31 178.37 1p9p h LYS 241 N -0.08 1.01 -0.15 1.11 1.57 0.66 -2.33 116.57 118.36 1p9p h LYS 241 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1p9p h LYS 241 Cb 0.70 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1p9p h LYS 241 CO 0.04 0.67 -0.03 1.15 -0.57 0.00 0.00 179.45 180.70 1p9p h THR 242 N 1.04 1.28 0.00 -0.16 2.02 -1.32 -1.97 112.91 113.80 1p9p h THR 242 Ca 0.47 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1p9p h THR 242 Cb 0.39 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1p9p h THR 242 CO -0.24 0.28 0.00 -0.62 0.37 0.00 0.00 175.52 175.32 1p9p n GLU 243 N -4.71 0.90 -0.11 6.66 1.02 -1.00 -2.27 120.64 121.13 1p9p n GLU 243 Ca -0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1p9p n GLU 243 Cb 0.25 -1.05 -0.13 0.00 -0.02 0.00 0.00 31.44 30.49 1p9p n GLU 243 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1p9p n HIS 244 N -0.44 0.00 0.28 -0.32 -0.00 -0.79 -4.10 115.22 109.86 1p9p n HIS 244 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1p9p n HIS 244 Cb 0.03 -0.95 0.78 0.00 -0.12 0.00 0.00 29.99 29.73 1p9p n HIS 244 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1p9p h ALA 245 N 0.52 1.54 0.00 1.57 0.00 -1.00 -3.51 119.26 118.38 1p9p h ALA 245 Ca -0.53 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1p9p h ALA 245 Cb 2.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1p9p h ALA 245 CO -0.02 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.33