#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9p s LEU 2 N 0.00 4.30 0.42 7.52 2.01 -1.26 -5.08 118.68 126.59 1m9p s LEU 2 Ca 0.00 2.07 -0.00 0.00 0.01 0.00 0.00 54.13 56.21 1m9p s LEU 2 Cb 0.00 -3.99 -0.02 0.00 0.01 0.00 0.00 46.19 42.19 1m9p s LEU 2 CO 0.00 -0.32 0.65 -0.94 1.01 0.00 0.00 176.35 176.75 1m9p s SER 3 N -1.37 6.03 0.54 2.29 1.04 -1.26 -4.87 113.70 116.10 1m9p s SER 3 Ca 0.53 0.42 0.20 0.00 0.48 0.00 0.00 55.95 57.58 1m9p s SER 3 Cb -0.24 -1.78 1.40 0.00 0.10 0.00 0.00 66.02 65.49 1m9p s SER 3 CO 0.31 -0.56 2.15 -0.65 0.98 0.00 0.00 173.24 175.47 1m9p h PRO 4 N 0.49 0.00 -0.06 4.02 0.11 -1.99 0.15 132.00 134.71 1m9p h PRO 4 Ca -0.47 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 1m9p h PRO 4 Cb 1.24 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 1m9p h PRO 4 CO 0.59 0.00 -0.93 0.00 -0.21 0.00 0.00 178.00 177.46 1m9p h ALA 5 N 1.95 0.19 0.39 -0.75 0.00 -2.00 -3.18 119.26 115.86 1m9p h ALA 5 Ca 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1m9p h ALA 5 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1m9p h ALA 5 CO -0.00 0.67 -0.19 -0.44 0.00 0.00 0.00 179.25 179.29 1m9p h ASP 6 N 0.43 -0.44 -0.77 0.00 3.32 -1.50 -2.06 116.42 115.40 1m9p h ASP 6 Ca -0.10 -0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.03 1m9p h ASP 6 Cb 1.57 0.11 -0.14 0.00 0.22 0.00 0.00 39.33 41.10 1m9p h ASP 6 CO 0.19 -0.17 -0.12 0.11 -1.72 0.00 0.00 179.24 177.52 1m9p h LYS 7 N -0.71 0.03 0.00 3.56 1.57 -0.89 -1.53 116.57 118.60 1m9p h LYS 7 Ca -0.05 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 1m9p h LYS 7 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1m9p h LYS 7 CO 0.09 0.02 -0.98 1.79 -0.57 0.00 0.00 179.45 179.80 1m9p h THR 8 N 0.03 1.66 -0.09 -0.16 1.35 -1.57 -2.67 112.91 111.47 1m9p h THR 8 Ca 0.39 -3.35 -0.09 0.00 -0.55 0.00 0.00 66.41 62.80 1m9p h THR 8 Cb 0.63 2.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.86 1m9p h THR 8 CO -0.75 0.95 -0.38 0.78 -0.25 0.00 0.00 175.52 175.87 1m9p h ASN 9 N 0.00 0.18 0.27 5.36 -0.26 -0.68 0.17 115.58 120.62 1m9p h ASN 9 Ca -0.01 -0.07 -0.30 0.00 -0.56 0.00 0.00 56.30 55.36 1m9p h ASN 9 Cb 1.75 -0.05 0.03 0.00 -1.06 0.00 0.00 38.32 38.99 1m9p h ASN 9 CO 0.13 0.55 -1.28 0.58 -1.06 0.00 0.00 177.43 176.34 1m9p h VAL 10 N 0.15 1.33 -0.56 2.81 2.07 -1.35 -2.15 116.25 118.56 1m9p h VAL 10 Ca 0.02 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 64.81 1m9p h VAL 10 Cb 0.74 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1m9p h VAL 10 CO 0.06 0.79 -0.04 0.11 0.02 0.00 0.00 177.57 178.51 1m9p h LYS 11 N 0.20 0.99 0.00 1.57 1.57 -1.09 0.89 116.57 120.70 1m9p h LYS 11 Ca -0.19 -0.32 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 1m9p h LYS 11 Cb 1.97 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.17 1m9p h LYS 11 CO 0.24 0.99 -0.75 0.00 -0.57 0.00 0.00 179.45 179.36 1m9p h ALA 12 N 1.05 0.73 0.08 3.86 0.00 -0.75 -2.76 119.26 121.47 1m9p h ALA 12 Ca 0.16 -0.68 -0.27 0.00 0.00 0.00 0.00 54.91 54.12 1m9p h ALA 12 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1m9p h ALA 12 CO 0.03 0.94 -1.41 0.00 0.00 0.00 0.00 179.25 178.82 1m9p h ALA 13 N 1.25 0.24 0.00 0.00 0.00 -1.21 -3.29 119.26 116.25 1m9p h ALA 13 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1m9p h ALA 13 Cb 1.35 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1m9p h ALA 13 CO 0.10 0.84 0.00 1.87 0.00 0.00 0.00 179.25 182.06 1m9p n TRP 14 N -4.02 0.00 0.11 0.00 -0.00 0.29 -2.57 117.44 111.25 1m9p n TRP 14 Ca -0.27 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.02 1m9p n TRP 14 Cb 0.85 -0.34 -0.15 0.00 -0.00 0.00 0.00 31.31 31.66 1m9p n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1m9p h GLY 15 N 3.80 0.47 1.19 5.87 0.00 -1.60 -3.20 103.07 109.60 1m9p h GLY 15 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 46.13 1m9p h GLY 15 CO 0.00 1.05 0.00 0.28 0.00 0.00 0.00 176.54 177.87 1m9p n LYS 16 N -3.61 0.51 -0.04 4.80 4.01 -1.06 -2.52 118.16 120.24 1m9p n LYS 16 Ca -0.16 0.04 -0.01 0.00 -0.51 0.00 0.00 58.31 57.67 1m9p n LYS 16 Cb 1.07 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 34.09 1m9p n LYS 16 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1m9p h VAL 17 N 0.00 0.00 0.00 -0.18 2.07 -1.61 -3.48 116.25 113.05 1m9p h VAL 17 Ca 0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1m9p h VAL 17 Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1m9p h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1m9p n GLY 18 N 1.78 2.44 0.28 2.17 0.00 -1.05 -2.04 105.19 108.78 1m9p n GLY 18 Ca -0.01 0.35 0.19 0.00 0.00 0.00 0.00 46.02 46.55 1m9p n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9p h ALA 19 N -0.75 1.00 0.00 4.61 0.00 -1.92 -2.33 119.26 119.86 1m9p h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1m9p h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1m9p h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1m9p n HIS 20 N -2.99 0.00 0.00 0.00 -0.00 -0.86 -4.48 115.22 106.88 1m9p n HIS 20 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1m9p n HIS 20 Cb 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1m9p n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1m9p n ALA 21 N -1.03 -0.06 0.03 -1.41 0.00 -0.88 -2.03 120.51 115.13 1m9p n ALA 21 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1m9p n ALA 21 Cb 0.12 0.41 0.58 0.00 0.00 0.00 0.00 19.45 20.56 1m9p n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1m9p h GLY 22 N 0.00 0.28 1.02 0.00 0.00 -1.79 -0.54 103.07 102.04 1m9p h GLY 22 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1m9p h GLY 22 CO 0.00 0.06 -0.10 -2.09 0.00 0.00 0.00 176.54 174.41 1m9p h GLU 23 N 0.21 0.87 -0.10 4.80 4.81 -1.81 -1.72 114.58 121.65 1m9p h GLU 23 Ca 0.19 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1m9p h GLU 23 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1m9p h GLU 23 CO -0.03 0.97 -0.32 1.88 -0.73 0.00 0.00 179.01 180.77 1m9p h TYR 24 N 0.71 0.50 0.00 0.92 -1.99 -0.69 -1.08 116.97 115.34 1m9p h TYR 24 Ca 0.12 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 1m9p h TYR 24 Cb 0.64 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 1m9p h TYR 24 CO 0.05 0.93 -0.00 0.78 -0.00 0.00 0.00 178.16 179.92 1m9p h GLY 25 N -0.07 0.00 1.18 3.88 0.00 -1.12 0.36 103.07 107.31 1m9p h GLY 25 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 1m9p h GLY 25 CO 0.07 0.00 -1.30 0.00 0.00 0.00 0.00 176.54 175.30 1m9p h ALA 26 N 2.00 -0.09 -0.53 3.60 0.00 -1.19 -2.82 119.26 120.21 1m9p h ALA 26 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1m9p h ALA 26 Cb 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1m9p h ALA 26 CO 0.00 0.65 -0.13 1.49 0.00 0.00 0.00 179.25 181.26 1m9p h GLU 27 N 0.15 1.02 0.05 0.00 4.81 0.02 -1.60 114.58 119.04 1m9p h GLU 27 Ca -0.22 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 58.64 1m9p h GLU 27 Cb 2.00 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.29 1m9p h GLU 27 CO 0.25 1.08 -0.17 0.00 -0.73 0.00 0.00 179.01 179.44 1m9p h ALA 28 N 0.93 -0.24 -0.71 2.92 0.00 -0.41 0.15 119.26 121.90 1m9p h ALA 28 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1m9p h ALA 28 Cb 0.70 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1m9p h ALA 28 CO 0.05 -0.68 0.38 -0.07 0.00 0.00 0.00 179.25 178.94 1m9p h LEU 29 N -0.30 0.89 -0.24 0.00 3.38 -1.46 -1.02 115.31 116.56 1m9p h LEU 29 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1m9p h LEU 29 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1m9p h LEU 29 CO -0.13 0.74 0.11 -0.08 0.09 0.00 0.00 178.44 179.17 1m9p h GLU 30 N 0.98 0.35 -0.68 1.13 4.81 -0.85 0.54 114.58 120.85 1m9p h GLU 30 Ca 0.25 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1m9p h GLU 30 Cb 0.05 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1m9p h GLU 30 CO -0.04 0.36 0.45 0.00 -0.73 0.00 0.00 179.01 179.05 1m9p h ARG 31 N 0.25 0.76 -0.03 1.92 3.08 -0.47 -1.25 114.38 118.64 1m9p h ARG 31 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1m9p h ARG 31 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1m9p h ARG 31 CO -0.01 0.50 -0.06 1.98 -1.07 0.00 0.00 179.97 181.31 1m9p h MET 32 N 0.78 0.10 -0.65 0.04 4.05 -0.58 -2.18 114.93 116.49 1m9p h MET 32 Ca 0.28 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.67 1m9p h MET 32 Cb 0.13 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1m9p h MET 32 CO -0.08 0.63 0.39 0.74 0.23 0.00 0.00 176.91 178.82 1m9p h PHE 33 N -0.43 0.73 -0.07 1.39 0.04 -0.45 0.30 116.94 118.46 1m9p h PHE 33 Ca 0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1m9p h PHE 33 Cb 0.63 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1m9p h PHE 33 CO 0.12 0.40 -0.13 -0.07 -0.60 0.00 0.00 178.31 178.03 1m9p h LEU 34 N 0.76 0.24 -0.55 1.54 3.38 -1.34 -2.94 115.31 116.41 1m9p h LEU 34 Ca 0.27 -0.56 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 1m9p h LEU 34 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1m9p h LEU 34 CO -0.12 0.75 -0.59 0.28 0.09 0.00 0.00 178.44 178.84 1m9p h SER 35 N -0.27 0.49 -3.23 -0.43 0.02 -1.30 -3.38 113.55 105.45 1m9p h SER 35 Ca 0.00 -0.28 -0.60 0.00 -0.84 0.00 0.00 61.79 60.08 1m9p h SER 35 Cb 0.70 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 62.70 1m9p h SER 35 CO 0.03 0.97 -0.76 -0.36 -1.14 0.00 0.00 176.83 175.57 1m9p s PHE 36 N -3.87 1.64 0.28 3.45 0.08 0.11 -5.03 117.98 114.64 1m9p s PHE 36 Ca -0.06 -2.08 0.29 0.00 0.12 0.00 0.00 56.93 55.21 1m9p s PHE 36 Cb 0.11 -1.64 1.35 0.00 -0.57 0.00 0.00 43.02 42.28 1m9p s PHE 36 CO 0.83 -0.82 2.00 -1.35 -0.10 0.00 0.00 175.22 175.78 1m9p h PRO 37 N 7.14 0.00 0.00 0.24 0.11 -1.70 -3.18 132.00 134.61 1m9p h PRO 37 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1m9p h PRO 37 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1m9p h PRO 37 CO 0.43 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 1m9p n THR 38 N -3.39 1.02 0.93 -1.15 -2.24 -1.26 -1.76 114.28 106.44 1m9p n THR 38 Ca -0.01 0.41 0.13 0.00 -2.27 0.00 0.00 64.05 62.31 1m9p n THR 38 Cb 0.30 -1.35 0.43 0.00 -2.10 0.00 0.00 70.33 67.61 1m9p n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1m9p n THR 39 N -2.08 0.08 0.10 4.28 -2.24 -1.20 -3.56 114.28 109.66 1m9p n THR 39 Ca 0.01 -0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1m9p n THR 39 Cb 0.14 -0.20 0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1m9p n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1m9p h LYS 40 N 0.00 0.16 0.00 -0.78 1.57 -1.57 -3.21 116.57 112.74 1m9p h LYS 40 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1m9p h LYS 40 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1m9p h LYS 40 CO 0.00 0.74 0.10 1.79 -0.57 0.00 0.00 179.45 181.51 1m9p h THR 41 N 0.12 0.00 -0.00 -0.16 1.35 -1.73 0.35 112.91 112.83 1m9p h THR 41 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1m9p h THR 41 Cb 1.15 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1m9p h THR 41 CO 0.09 0.00 -0.33 -1.22 -0.25 0.00 0.00 175.52 173.81 1m9p n TYR 42 N -2.91 0.00 -3.15 4.73 4.01 -1.21 -4.36 117.16 114.27 1m9p n TYR 42 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.48 1m9p n TYR 42 Cb 0.16 -0.29 -0.05 0.00 -0.31 0.00 0.00 39.34 38.85 1m9p n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1m9p n PHE 43 N -1.38 1.76 0.12 -0.72 3.01 0.12 -4.94 117.46 115.43 1m9p n PHE 43 Ca 0.07 -3.88 -0.03 0.00 1.01 0.00 0.00 57.45 54.63 1m9p n PHE 43 Cb 0.33 -0.45 0.11 0.00 -0.01 0.00 0.00 39.48 39.46 1m9p n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1m9p h PRO 44 N 3.37 0.03 -0.14 -1.08 0.13 -1.76 -2.98 132.00 129.57 1m9p h PRO 44 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1m9p h PRO 44 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1m9p h PRO 44 CO 0.64 0.71 0.00 -2.39 -0.23 0.00 0.00 178.00 176.73 1m9p n HIS 45 N -3.72 0.17 -4.03 1.56 1.44 -1.26 -4.89 115.22 104.48 1m9p n HIS 45 Ca -0.01 -0.08 -0.32 0.00 -2.01 0.00 0.00 57.72 55.30 1m9p n HIS 45 Cb 0.68 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.73 1m9p n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1m9p s PHE 46 N -1.83 3.34 -0.56 -1.40 0.40 -1.13 -5.07 117.98 111.74 1m9p s PHE 46 Ca 0.08 0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 56.40 1m9p s PHE 46 Cb 0.04 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 41.90 1m9p s PHE 46 CO 0.05 0.57 0.83 0.34 0.70 0.00 0.00 175.22 177.71 1m9p s ASP 47 N -2.04 6.27 0.00 1.36 3.68 -1.26 -4.94 116.67 119.74 1m9p s ASP 47 Ca 0.27 -0.69 0.23 0.00 2.13 0.00 0.00 52.55 54.49 1m9p s ASP 47 Cb -0.12 -2.38 0.44 0.00 -1.45 0.00 0.00 42.92 39.41 1m9p s ASP 47 CO 0.19 -1.15 1.40 0.18 0.13 0.00 0.00 175.17 175.92 1m9p n LEU 48 N 7.03 3.06 -4.73 -1.34 4.77 -1.26 -4.39 117.00 120.14 1m9p n LEU 48 Ca -0.02 -1.24 -0.30 0.00 -0.03 0.00 0.00 56.01 54.41 1m9p n LEU 48 Cb 0.46 -0.17 0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1m9p n LEU 48 CO 0.60 0.62 0.68 -0.44 -1.33 0.00 0.00 177.39 177.53 1m9p s SER 49 N -1.63 3.90 0.41 -1.43 0.01 -1.26 -4.92 113.70 108.77 1m9p s SER 49 Ca 0.36 1.74 -0.27 0.00 1.31 0.00 0.00 55.95 59.08 1m9p s SER 49 Cb 0.21 -2.40 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 1m9p s SER 49 CO 0.31 -2.41 1.40 -2.28 0.41 0.00 0.00 173.24 170.67 1m9p s HIS 50 N -2.88 2.64 0.00 2.43 2.46 -1.26 -2.65 115.29 116.03 1m9p s HIS 50 Ca 0.63 1.29 0.00 0.00 0.47 0.00 0.00 55.06 57.44 1m9p s HIS 50 Cb -0.18 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.40 1m9p s HIS 50 CO 0.57 -2.64 0.00 0.41 -2.47 0.00 0.00 174.74 170.61 1m9p n GLY 51 N 0.59 0.83 3.68 1.59 0.00 -1.26 -5.00 105.19 105.61 1m9p n GLY 51 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1m9p n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1m9p n SER 52 N 0.00 3.08 0.24 1.61 7.64 -1.08 -4.92 113.62 120.18 1m9p n SER 52 Ca 0.00 1.10 0.10 0.00 1.01 0.00 0.00 58.87 61.08 1m9p n SER 52 Cb 0.00 -1.44 0.58 0.00 -1.01 0.00 0.00 64.21 62.34 1m9p n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1m9p h ALA 53 N 5.42 1.26 -0.01 -0.43 0.00 -1.92 -1.18 119.26 122.39 1m9p h ALA 53 Ca -0.45 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1m9p h ALA 53 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1m9p h ALA 53 CO 0.85 0.25 -0.17 1.96 0.00 0.00 0.00 179.25 182.14 1m9p h GLN 54 N 0.00 0.13 -0.61 0.00 4.20 -1.91 -1.38 115.11 115.53 1m9p h GLN 54 Ca -0.00 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1m9p h GLN 54 Cb 0.50 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1m9p h GLN 54 CO 0.03 0.86 0.24 0.28 -0.67 0.00 0.00 178.83 179.57 1m9p h VAL 55 N -0.55 1.23 0.00 -0.54 2.07 -1.74 0.74 116.25 117.46 1m9p h VAL 55 Ca -0.02 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1m9p h VAL 55 Cb 0.92 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1m9p h VAL 55 CO 0.03 0.29 -0.12 0.11 0.02 0.00 0.00 177.57 177.90 1m9p h LYS 56 N 0.86 0.00 0.16 1.57 6.56 -1.30 0.87 116.57 125.29 1m9p h LYS 56 Ca 0.20 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.46 1m9p h LYS 56 Cb 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1m9p h LYS 56 CO -0.02 0.12 -1.71 0.78 -2.06 0.00 0.00 179.45 176.57 1m9p h GLY 57 N 2.33 0.38 1.08 3.86 0.00 -0.29 -3.27 103.07 107.16 1m9p h GLY 57 Ca -0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 47.33 46.25 1m9p h GLY 57 CO 0.02 0.84 -0.16 0.84 0.00 0.00 0.00 176.54 178.07 1m9p h HIS 58 N 0.09 1.10 -0.36 5.60 6.17 0.59 -2.65 115.15 125.69 1m9p h HIS 58 Ca -0.32 -0.25 0.09 0.00 0.71 0.00 0.00 60.37 60.60 1m9p h HIS 58 Cb 2.07 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 31.72 1m9p h HIS 58 CO 0.08 1.06 0.25 0.78 0.71 0.00 0.00 177.93 180.82 1m9p h GLY 59 N 0.82 0.08 1.38 5.26 0.00 -0.94 0.21 103.07 109.88 1m9p h GLY 59 Ca 0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 47.33 47.20 1m9p h GLY 59 CO 0.06 0.02 -0.84 1.70 0.00 0.00 0.00 176.54 177.48 1m9p h LYS 60 N 0.06 0.59 -0.08 4.80 1.63 -1.52 -1.57 116.57 120.48 1m9p h LYS 60 Ca 0.17 -0.53 -0.12 0.00 -0.85 0.00 0.00 60.65 59.32 1m9p h LYS 60 Cb 0.60 0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1m9p h LYS 60 CO -0.01 1.15 -0.42 0.87 -3.45 0.00 0.00 179.45 177.59 1m9p h LYS 61 N 0.38 0.42 -0.24 1.90 1.57 -1.07 0.93 116.57 120.46 1m9p h LYS 61 Ca -0.06 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1m9p h LYS 61 Cb 1.45 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 1m9p h LYS 61 CO 0.16 0.99 0.13 0.28 -0.57 0.00 0.00 179.45 180.43 1m9p h VAL 62 N -0.03 1.01 0.00 0.50 2.07 -0.71 0.60 116.25 119.68 1m9p h VAL 62 Ca -0.03 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1m9p h VAL 62 Cb 1.07 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1m9p h VAL 62 CO 0.09 0.05 -0.28 0.00 0.02 0.00 0.00 177.57 177.45 1m9p h ALA 63 N 1.11 1.18 0.02 1.67 0.00 -1.28 -1.74 119.26 120.22 1m9p h ALA 63 Ca 0.10 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1m9p h ALA 63 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1m9p h ALA 63 CO -0.06 0.35 -1.38 -0.44 0.00 0.00 0.00 179.25 177.73 1m9p h ASP 64 N 0.00 0.07 -0.61 0.00 3.32 -0.03 -2.72 116.42 116.45 1m9p h ASP 64 Ca -0.00 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1m9p h ASP 64 Cb 0.65 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1m9p h ASP 64 CO 0.04 1.08 0.22 0.00 -1.72 0.00 0.00 179.24 178.86 1m9p h ALA 65 N 0.91 1.17 -0.05 3.45 0.00 0.62 0.24 119.26 125.60 1m9p h ALA 65 Ca -0.16 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1m9p h ALA 65 Cb 1.91 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1m9p h ALA 65 CO 0.12 0.58 -0.74 -0.07 0.00 0.00 0.00 179.25 179.13 1m9p h LEU 66 N 0.94 0.34 -0.67 0.00 3.38 -1.39 -1.28 115.31 116.62 1m9p h LEU 66 Ca 0.21 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1m9p h LEU 66 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1m9p h LEU 66 CO -0.01 0.96 -0.53 0.74 0.09 0.00 0.00 178.44 179.69 1m9p h THR 67 N 0.18 1.34 -0.54 0.22 2.02 -0.99 -0.11 112.91 115.04 1m9p h THR 67 Ca -0.03 -1.79 -0.04 0.00 0.77 0.00 0.00 66.41 65.32 1m9p h THR 67 Cb 1.31 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1m9p h THR 67 CO 0.12 0.54 0.17 -1.13 0.37 0.00 0.00 175.52 175.59 1m9p h ASN 68 N 0.29 0.78 0.64 4.18 -1.24 -0.43 -1.94 115.58 117.86 1m9p h ASN 68 Ca 0.01 -0.20 -0.08 0.00 0.71 0.00 0.00 56.30 56.74 1m9p h ASN 68 Cb 1.02 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.86 1m9p h ASN 68 CO 0.09 0.78 -0.37 0.00 -1.29 0.00 0.00 177.43 176.63 1m9p h ALA 69 N 1.03 1.12 0.00 1.57 0.00 -0.70 -1.45 119.26 120.83 1m9p h ALA 69 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1m9p h ALA 69 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1m9p h ALA 69 CO -0.01 0.47 0.00 0.28 0.00 0.00 0.00 179.25 179.99 1m9p h VAL 70 N 0.00 0.00 0.00 0.00 2.07 -0.46 -2.61 116.25 115.24 1m9p h VAL 70 Ca -0.00 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1m9p h VAL 70 Cb 0.80 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1m9p h VAL 70 CO 0.05 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.49 1m9p h ALA 71 N 2.47 0.03 -1.67 1.67 0.00 -0.55 -3.36 119.26 117.85 1m9p h ALA 71 Ca 0.00 -0.49 -0.73 0.00 0.00 0.00 0.00 54.91 53.69 1m9p h ALA 71 Cb 0.77 0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.32 1m9p h ALA 71 CO 0.00 0.09 0.42 0.72 0.00 0.00 0.00 179.25 180.47 1m9p n HIS 72 N -4.62 3.19 0.14 0.00 8.25 -0.80 -4.79 115.22 116.59 1m9p n HIS 72 Ca -0.11 -3.09 -0.01 0.00 -0.26 0.00 0.00 57.72 54.26 1m9p n HIS 72 Cb 0.42 -0.95 0.16 0.00 1.12 0.00 0.00 29.99 30.74 1m9p n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1m9p h VAL 73 N 2.57 1.42 -0.00 1.59 3.04 -1.62 -2.55 116.25 120.70 1m9p h VAL 73 Ca 0.37 -2.16 0.00 0.00 -1.01 0.00 0.00 66.70 63.90 1m9p h VAL 73 Cb 0.41 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 1m9p h VAL 73 CO 1.06 0.61 -0.01 0.47 -1.01 0.00 0.00 177.57 178.69 1m9p n ASP 74 N -3.75 0.07 -2.76 3.17 8.00 -1.26 -3.98 116.55 116.04 1m9p n ASP 74 Ca -0.01 -0.52 -0.09 0.00 0.71 0.00 0.00 54.79 54.88 1m9p n ASP 74 Cb 0.63 -0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.64 1m9p n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1m9p n ASP 75 N -1.13 -2.56 0.06 -2.24 2.03 -1.14 -5.03 116.55 106.54 1m9p n ASP 75 Ca 0.18 -3.46 -0.07 0.00 0.52 0.00 0.00 54.79 51.96 1m9p n ASP 75 Cb 0.20 1.80 0.09 0.00 -0.72 0.00 0.00 41.12 42.49 1m9p n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1m9p h MET 76 N 3.56 0.36 -0.78 -0.67 2.86 -1.59 -3.21 114.93 115.47 1m9p h MET 76 Ca -0.12 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1m9p h MET 76 Cb 1.06 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1m9p h MET 76 CO 0.25 0.85 0.51 -1.35 1.06 0.00 0.00 176.91 178.23 1m9p h PRO 77 N 0.27 1.03 -0.15 -0.22 0.11 -1.94 -1.41 132.00 129.69 1m9p h PRO 77 Ca -0.00 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.87 1m9p h PRO 77 Cb 1.12 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1m9p h PRO 77 CO 0.10 0.68 -0.63 -0.91 -0.21 0.00 0.00 178.00 177.03 1m9p h ASN 78 N 1.06 0.63 0.30 -2.05 4.21 -1.96 -2.77 115.58 114.99 1m9p h ASN 78 Ca 0.29 -0.37 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 1m9p h ASN 78 Cb -0.12 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 36.90 1m9p h ASN 78 CO -0.06 1.10 -0.14 0.00 -1.29 0.00 0.00 177.43 177.04 1m9p h ALA 79 N 0.90 -0.40 -0.01 -0.83 0.00 -1.51 -3.30 119.26 114.11 1m9p h ALA 79 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1m9p h ALA 79 Cb 1.20 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1m9p h ALA 79 CO 0.12 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.21 1m9p n LEU 80 N -5.05 0.30 -0.31 0.00 4.77 -0.55 -4.33 117.00 111.83 1m9p n LEU 80 Ca -0.08 -0.15 0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1m9p n LEU 80 Cb 0.25 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.50 1m9p n LEU 80 CO 0.22 0.07 1.09 0.77 -1.33 0.00 0.00 177.39 178.21 1m9p h SER 81 N 0.08 0.46 -0.12 -1.43 4.64 -1.57 0.60 113.55 116.22 1m9p h SER 81 Ca 0.00 0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 1m9p h SER 81 Cb 0.13 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1m9p h SER 81 CO 0.00 0.11 -0.32 0.00 -0.87 0.00 0.00 176.83 175.75 1m9p h ALA 82 N 1.65 0.92 0.00 5.18 0.00 -1.87 -3.10 119.26 122.04 1m9p h ALA 82 Ca 0.53 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1m9p h ALA 82 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1m9p h ALA 82 CO -0.45 0.62 -0.48 -0.07 0.00 0.00 0.00 179.25 178.87 1m9p h LEU 83 N 0.52 0.00 -0.19 0.00 3.38 -1.24 -3.13 115.31 114.64 1m9p h LEU 83 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 1m9p h LEU 83 Cb 0.80 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1m9p h LEU 83 CO 0.07 0.48 -0.88 0.28 0.09 0.00 0.00 178.44 178.47 1m9p h SER 84 N 0.00 0.68 -0.19 -0.43 0.02 -1.19 -1.81 113.55 110.62 1m9p h SER 84 Ca -0.00 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1m9p h SER 84 Cb 0.96 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1m9p h SER 84 CO 0.06 1.28 0.01 -0.78 -1.14 0.00 0.00 176.83 176.27 1m9p h ASP 85 N 0.33 0.42 0.36 3.07 -0.00 -1.53 0.25 116.42 119.33 1m9p h ASP 85 Ca -0.07 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.03 56.87 1m9p h ASP 85 Cb 1.50 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.73 1m9p h ASP 85 CO 0.16 0.47 -0.17 0.25 -0.00 0.00 0.00 179.24 179.95 1m9p h LEU 86 N 0.44 -0.41 0.00 2.28 6.46 -1.48 -0.47 115.31 122.13 1m9p h LEU 86 Ca 0.10 -0.12 -0.22 0.00 -0.12 0.00 0.00 57.88 57.52 1m9p h LEU 86 Cb 0.27 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1m9p h LEU 86 CO 0.01 0.03 -1.14 0.45 -0.62 0.00 0.00 178.44 177.17 1m9p h HIS 87 N -1.00 0.00 0.00 1.25 3.86 -1.27 0.82 115.15 118.81 1m9p h HIS 87 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1m9p h HIS 87 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1m9p h HIS 87 CO 0.03 0.93 -0.23 0.00 0.86 0.00 0.00 177.93 179.52 1m9p h ALA 88 N 1.07 0.00 0.25 2.45 0.00 -0.27 -2.33 119.26 120.43 1m9p h ALA 88 Ca -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1m9p h ALA 88 Cb 1.78 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1m9p h ALA 88 CO 0.11 0.23 -0.12 1.25 0.00 0.00 0.00 179.25 180.72 1m9p h HIS 89 N -0.68 -0.31 0.70 0.00 -0.00 -1.45 -3.09 115.15 110.32 1m9p h HIS 89 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1m9p h HIS 89 Cb 0.23 0.10 0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1m9p h HIS 89 CO -0.10 -0.20 -0.34 0.87 -0.00 0.00 0.00 177.93 178.17 1m9p h LYS 90 N -0.57 -0.91 0.00 5.26 1.57 -1.06 -3.33 116.57 117.53 1m9p h LYS 90 Ca -0.03 0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1m9p h LYS 90 Cb 0.26 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1m9p h LYS 90 CO 0.06 -0.61 -0.41 -0.07 -0.57 0.00 0.00 179.45 177.85 1m9p h LEU 91 N -0.97 0.00 -0.95 2.94 3.38 -1.01 -3.48 115.31 115.22 1m9p h LEU 91 Ca -0.10 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.44 1m9p h LEU 91 Cb 0.72 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.54 1m9p h LEU 91 CO 0.16 0.41 -0.72 0.54 0.09 0.00 0.00 178.44 178.92 1m9p n ARG 92 N -3.34 -6.87 -1.98 1.13 3.00 -1.12 -4.93 116.66 102.54 1m9p n ARG 92 Ca 0.01 0.73 -0.42 0.00 -0.01 0.00 0.00 57.85 58.16 1m9p n ARG 92 Cb 0.61 -5.71 -0.03 0.00 0.00 0.00 0.00 32.46 27.33 1m9p n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1m9p s VAL 93 N -3.32 2.76 -0.03 1.55 1.01 -0.89 -4.97 120.40 116.50 1m9p s VAL 93 Ca 0.59 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1m9p s VAL 93 Cb -0.27 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1m9p s VAL 93 CO 0.77 0.04 1.32 -0.62 0.00 0.00 0.00 175.10 176.62 1m9p s ASP 94 N 1.12 6.93 0.40 3.32 -1.08 -1.26 -4.90 116.67 121.20 1m9p s ASP 94 Ca 0.69 1.98 0.14 0.00 -0.52 0.00 0.00 52.55 54.83 1m9p s ASP 94 Cb -0.42 -2.56 0.74 0.00 -1.46 0.00 0.00 42.92 39.22 1m9p s ASP 94 CO 0.31 -0.68 1.32 1.55 0.52 0.00 0.00 175.17 178.19 1m9p h PRO 95 N 7.76 0.00 -0.30 4.34 0.13 -1.95 -0.55 132.00 141.43 1m9p h PRO 95 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1m9p h PRO 95 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1m9p h PRO 95 CO 0.90 0.00 -0.27 -0.24 -0.23 0.00 0.00 178.00 178.16 1m9p h VAL 96 N 0.00 1.27 0.00 1.56 3.04 -2.00 -2.60 116.25 117.52 1m9p h VAL 96 Ca 0.00 -1.35 -0.07 0.00 -1.01 0.00 0.00 66.70 64.28 1m9p h VAL 96 Cb 0.80 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1m9p h VAL 96 CO 0.00 0.43 -0.32 0.78 -1.01 0.00 0.00 177.57 177.45 1m9p h ASN 97 N 0.52 0.00 0.28 3.17 4.21 -1.48 -1.21 115.58 121.07 1m9p h ASN 97 Ca 0.07 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.45 1m9p h ASN 97 Cb 0.73 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1m9p h ASN 97 CO 0.06 0.32 -0.52 -0.26 -1.29 0.00 0.00 177.43 175.74 1m9p h PHE 98 N 0.00 0.33 -0.33 1.19 -1.00 -1.60 -1.07 116.94 114.45 1m9p h PHE 98 Ca -0.00 -0.11 -0.10 0.00 2.81 0.00 0.00 57.97 60.57 1m9p h PHE 98 Cb 0.60 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1m9p h PHE 98 CO 0.00 0.73 -0.21 0.87 -1.61 0.00 0.00 178.31 178.09 1m9p h LYS 99 N 0.21 0.63 -0.10 1.51 1.57 -1.02 -0.61 116.57 118.76 1m9p h LYS 99 Ca 0.01 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1m9p h LYS 99 Cb 0.99 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1m9p h LYS 99 CO 0.08 0.80 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.49 1m9p h LEU 100 N 0.56 0.34 -0.84 2.94 3.38 -0.95 -1.73 115.31 119.01 1m9p h LEU 100 Ca 0.08 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 1m9p h LEU 100 Cb 0.66 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1m9p h LEU 100 CO 0.05 0.84 -0.19 0.25 0.09 0.00 0.00 178.44 179.48 1m9p h LEU 101 N -0.14 0.65 -0.91 1.67 5.85 -1.17 -1.45 115.31 119.81 1m9p h LEU 101 Ca 0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1m9p h LEU 101 Cb 0.79 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1m9p h LEU 101 CO 0.04 0.85 0.25 0.28 -0.34 0.00 0.00 178.44 179.52 1m9p h SER 102 N 0.58 0.97 -0.23 1.25 0.02 -1.09 0.19 113.55 115.24 1m9p h SER 102 Ca 0.09 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1m9p h SER 102 Cb 0.65 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1m9p h SER 102 CO 0.05 0.88 -0.15 -0.74 -1.14 0.00 0.00 176.83 175.73 1m9p h HIS 103 N 1.02 0.58 0.00 3.45 -0.00 -1.04 -2.43 115.15 116.73 1m9p h HIS 103 Ca 0.23 -0.16 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 1m9p h HIS 103 Cb 0.24 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1m9p h HIS 103 CO 0.02 0.80 -0.29 0.00 -0.00 0.00 0.00 177.93 178.45 1m9p h LEU 105 N 0.00 0.44 -0.13 0.00 5.85 -0.52 -1.88 115.31 119.06 1m9p h LEU 105 Ca -0.00 -0.29 -0.23 0.00 0.84 0.00 0.00 57.88 58.19 1m9p h LEU 105 Cb 0.68 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1m9p h LEU 105 CO 0.04 1.03 -0.83 -0.07 -0.34 0.00 0.00 178.44 178.26 1m9p h LEU 106 N 0.24 0.95 -0.51 2.25 3.38 -0.96 -2.53 115.31 118.13 1m9p h LEU 106 Ca -0.03 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1m9p h LEU 106 Cb 1.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1m9p h LEU 106 CO 0.12 1.45 0.27 0.58 0.09 0.00 0.00 178.44 180.95 1m9p h VAL 107 N 0.52 1.18 0.31 1.22 2.07 -1.22 0.38 116.25 120.72 1m9p h VAL 107 Ca -0.07 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1m9p h VAL 107 Cb 1.47 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1m9p h VAL 107 CO 0.17 0.20 -0.15 0.74 0.02 0.00 0.00 177.57 178.55 1m9p h THR 108 N 0.68 0.70 -0.63 2.57 2.02 -1.37 0.19 112.91 117.07 1m9p h THR 108 Ca 0.18 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1m9p h THR 108 Cb 0.08 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1m9p h THR 108 CO -0.03 0.02 0.34 -0.07 0.37 0.00 0.00 175.52 176.15 1m9p h LEU 109 N -0.46 0.77 -0.72 2.58 4.07 -1.30 0.37 115.31 120.63 1m9p h LEU 109 Ca -0.04 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1m9p h LEU 109 Cb 0.35 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1m9p h LEU 109 CO 0.07 0.63 0.15 0.00 -1.08 0.00 0.00 178.44 178.21 1m9p h ALA 110 N 1.50 0.94 -0.17 1.53 0.00 0.18 0.59 119.26 123.83 1m9p h ALA 110 Ca 0.22 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1m9p h ALA 110 Cb 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1m9p h ALA 110 CO -0.04 0.67 -0.59 0.00 0.00 0.00 0.00 179.25 179.29 1m9p h ALA 111 N 1.09 0.65 0.02 0.00 0.00 0.54 -3.36 119.26 118.19 1m9p h ALA 111 Ca 0.22 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 1m9p h ALA 111 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1m9p h ALA 111 CO 0.01 0.70 -1.30 0.45 0.00 0.00 0.00 179.25 179.11 1m9p h HIS 112 N 0.42 0.06 -2.39 0.00 -0.00 -0.81 -3.43 115.15 109.01 1m9p h HIS 112 Ca -0.00 -0.05 -0.69 0.00 -0.00 0.00 0.00 60.37 59.63 1m9p h HIS 112 Cb 1.15 -0.00 -0.36 0.00 -0.00 0.00 0.00 27.41 28.20 1m9p h HIS 112 CO 0.05 1.51 0.07 1.28 -0.00 0.00 0.00 177.93 180.84 1m9p n LEU 113 N -4.33 5.40 0.23 2.43 4.77 0.18 -4.90 117.00 120.78 1m9p n LEU 113 Ca -0.31 -5.46 0.15 0.00 -0.03 0.00 0.00 56.01 50.37 1m9p n LEU 113 Cb 0.72 -0.88 0.82 0.00 -2.33 0.00 0.00 43.42 41.75 1m9p n LEU 113 CO 0.22 2.07 1.13 -0.65 -1.33 0.00 0.00 177.39 178.84 1m9p h PRO 114 N 4.10 0.00 0.00 3.23 0.11 -1.75 -1.13 132.00 136.56 1m9p h PRO 114 Ca 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1m9p h PRO 114 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 1m9p h PRO 114 CO 1.02 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.77 1m9p h ALA 115 N 1.87 0.98 0.03 -0.75 0.00 -1.94 -3.28 119.26 116.16 1m9p h ALA 115 Ca 0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1m9p h ALA 115 Cb 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1m9p h ALA 115 CO -0.00 0.05 -2.01 0.39 0.00 0.00 0.00 179.25 177.68 1m9p n GLU 116 N -3.11 0.67 -1.20 0.00 -0.58 -0.48 -4.68 120.64 111.26 1m9p n GLU 116 Ca 0.03 0.20 -0.35 0.00 -0.42 0.00 0.00 57.16 56.62 1m9p n GLU 116 Cb 0.51 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1m9p n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1m9p n PHE 117 N -3.08 2.24 -2.25 -0.32 7.35 -0.88 -4.63 117.46 115.90 1m9p n PHE 117 Ca -0.27 -2.52 -0.30 0.00 -0.76 0.00 0.00 57.45 53.60 1m9p n PHE 117 Cb 1.07 -2.13 -0.00 0.00 0.35 0.00 0.00 39.48 38.77 1m9p n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1m9p s THR 118 N 3.23 4.74 0.52 -2.13 -4.23 -1.26 -4.83 115.64 111.67 1m9p s THR 118 Ca 0.54 0.75 0.32 0.00 -1.18 0.00 0.00 61.69 62.12 1m9p s THR 118 Cb 0.14 -3.83 0.50 0.00 1.34 0.00 0.00 72.50 70.66 1m9p s THR 118 CO -0.03 -0.93 1.83 -0.65 -0.54 0.00 0.00 174.62 174.30 1m9p h PRO 119 N 0.19 0.06 0.11 3.99 0.11 -2.00 -1.44 132.00 133.02 1m9p h PRO 119 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1m9p h PRO 119 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1m9p h PRO 119 CO 0.62 0.04 -0.05 0.00 -0.21 0.00 0.00 178.00 178.40 1m9p h ALA 120 N 1.49 -0.15 0.00 -0.75 0.00 -1.94 -2.34 119.26 115.58 1m9p h ALA 120 Ca 0.52 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1m9p h ALA 120 Cb 1.93 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1m9p h ALA 120 CO -0.05 -0.34 -0.41 0.28 0.00 0.00 0.00 179.25 178.73 1m9p h VAL 121 N -0.63 1.25 0.26 0.00 2.07 -1.63 -1.94 116.25 115.64 1m9p h VAL 121 Ca -0.01 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1m9p h VAL 121 Cb 0.50 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1m9p h VAL 121 CO 0.02 0.40 -0.12 -0.74 0.02 0.00 0.00 177.57 177.15 1m9p h HIS 122 N 0.00 -0.32 -0.76 1.57 6.17 -1.31 -1.06 115.15 119.44 1m9p h HIS 122 Ca -0.00 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.17 1m9p h HIS 122 Cb 0.73 0.11 -0.08 0.00 2.52 0.00 0.00 27.41 30.70 1m9p h HIS 122 CO 0.00 -0.05 0.39 0.00 0.71 0.00 0.00 177.93 178.98 1m9p h ALA 123 N 0.10 1.07 -0.29 5.26 0.00 -1.16 -0.25 119.26 123.98 1m9p h ALA 123 Ca -0.04 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1m9p h ALA 123 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1m9p h ALA 123 CO 0.06 -0.03 -0.38 0.77 0.00 0.00 0.00 179.25 179.67 1m9p h SER 124 N 0.64 0.70 0.35 0.00 0.02 -1.30 -2.74 113.55 111.23 1m9p h SER 124 Ca 0.38 -0.31 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 1m9p h SER 124 Cb 0.42 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1m9p h SER 124 CO -0.28 1.01 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.67 1m9p h LEU 125 N 0.55 0.34 -0.39 5.07 3.38 -0.25 -1.17 115.31 122.83 1m9p h LEU 125 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1m9p h LEU 125 Cb 0.90 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1m9p h LEU 125 CO 0.08 0.91 -0.03 -0.78 0.09 0.00 0.00 178.44 178.71 1m9p h ASP 126 N 0.20 0.71 -0.14 -0.43 3.58 -0.97 -0.94 116.42 118.44 1m9p h ASP 126 Ca -0.02 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1m9p h ASP 126 Cb 1.21 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1m9p h ASP 126 CO 0.11 0.86 0.04 0.11 -2.88 0.00 0.00 179.24 177.48 1m9p h LYS 127 N 0.53 0.21 -0.12 0.28 1.57 -1.46 -0.16 116.57 117.43 1m9p h LYS 127 Ca 0.11 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1m9p h LYS 127 Cb 0.51 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1m9p h LYS 127 CO 0.03 0.36 -0.15 0.35 -0.57 0.00 0.00 179.45 179.47 1m9p h PHE 128 N 0.03 -0.38 -0.12 -1.35 3.57 -1.11 0.35 116.94 117.93 1m9p h PHE 128 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1m9p h PHE 128 Cb 0.24 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1m9p h PHE 128 CO 0.00 -0.22 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.63 1m9p h LEU 129 N -0.19 0.18 -0.63 0.59 3.38 -1.05 -2.09 115.31 115.50 1m9p h LEU 129 Ca 0.09 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1m9p h LEU 129 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1m9p h LEU 129 CO -0.23 0.37 -0.45 0.00 0.09 0.00 0.00 178.44 178.23 1m9p h ALA 130 N 1.65 0.81 -0.45 1.53 0.00 -0.19 -2.07 119.26 120.54 1m9p h ALA 130 Ca 0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1m9p h ALA 130 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1m9p h ALA 130 CO 0.03 0.66 -0.26 0.77 0.00 0.00 0.00 179.25 180.45 1m9p h SER 131 N 0.45 0.98 0.61 0.00 0.02 -0.39 -1.72 113.55 113.51 1m9p h SER 131 Ca 0.03 -0.39 -0.16 0.00 -0.84 0.00 0.00 61.79 60.44 1m9p h SER 131 Cb 0.96 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1m9p h SER 131 CO 0.09 1.17 -0.73 -0.37 -1.14 0.00 0.00 176.83 175.85 1m9p h VAL 132 N 0.81 1.48 0.00 2.27 -1.51 -1.35 -2.82 116.25 115.13 1m9p h VAL 132 Ca 0.10 -2.39 -0.07 0.00 -1.23 0.00 0.00 66.70 63.11 1m9p h VAL 132 Cb 0.83 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1m9p h VAL 132 CO 0.07 0.69 -0.33 0.28 -1.23 0.00 0.00 177.57 177.05 1m9p h SER 133 N 0.06 0.00 -0.01 4.19 0.02 -1.09 -0.60 113.55 116.13 1m9p h SER 133 Ca -0.02 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1m9p h SER 133 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1m9p h SER 133 CO 0.10 0.33 -0.17 0.74 -1.14 0.00 0.00 176.83 176.69 1m9p h THR 134 N 0.00 1.55 -0.11 -2.27 2.02 -1.18 -2.85 112.91 110.07 1m9p h THR 134 Ca -0.00 -1.85 0.03 0.00 0.77 0.00 0.00 66.41 65.36 1m9p h THR 134 Cb 0.62 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.71 1m9p h THR 134 CO 0.04 0.50 -0.10 0.58 0.37 0.00 0.00 175.52 176.91 1m9p h VAL 135 N -0.54 0.71 0.00 3.16 2.07 -1.29 -0.15 116.25 120.21 1m9p h VAL 135 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1m9p h VAL 135 Cb 0.91 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1m9p h VAL 135 CO 0.03 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.29 1m9p h LEU 136 N -0.12 0.00 0.00 2.57 3.38 -1.22 -2.93 115.31 116.99 1m9p h LEU 136 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1m9p h LEU 136 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1m9p h LEU 136 CO -0.19 0.27 -0.75 0.71 0.09 0.00 0.00 178.44 178.57 1m9p h THR 137 N 0.00 0.00 -2.76 0.22 1.35 -1.16 -2.90 112.91 107.66 1m9p h THR 137 Ca -0.00 -0.51 -0.65 0.00 -0.55 0.00 0.00 66.41 64.69 1m9p h THR 137 Cb 0.50 1.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.87 1m9p h THR 137 CO 0.03 0.00 -0.49 -0.94 -0.25 0.00 0.00 175.52 173.87 1m9p s SER 138 N -4.22 6.31 -0.52 5.36 1.04 -0.12 -4.74 113.70 116.82 1m9p s SER 138 Ca 0.05 0.39 -0.21 0.00 0.48 0.00 0.00 55.95 56.66 1m9p s SER 138 Cb 0.13 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.31 1m9p s SER 138 CO 0.74 0.33 0.72 -0.54 0.98 0.00 0.00 173.24 175.48 1m9p s LYS 139 N -1.49 3.18 -0.21 4.02 1.02 -1.26 -4.88 119.74 120.12 1m9p s LYS 139 Ca 0.21 -0.72 0.13 0.00 0.02 0.00 0.00 55.97 55.62 1m9p s LYS 139 Cb -0.12 -4.09 0.44 0.00 -0.52 0.00 0.00 37.83 33.54 1m9p s LYS 139 CO 0.11 -1.31 1.19 2.48 -0.92 0.00 0.00 175.35 176.91 1m9p n TYR 140 N 6.55 1.06 1.64 3.18 0.18 -1.26 -5.17 117.16 123.34 1m9p n TYR 140 Ca -0.04 -1.67 0.15 0.00 1.88 0.00 0.00 57.90 58.21 1m9p n TYR 140 Cb 0.46 -0.26 0.64 0.00 -0.38 0.00 0.00 39.34 39.80 1m9p n TYR 140 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67