#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yen s LEU 2 N 0.00 4.28 0.48 7.52 1.43 -1.26 -5.07 118.68 126.06 1yen s LEU 2 Ca 0.00 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1yen s LEU 2 Cb 0.00 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 1yen s LEU 2 CO 0.00 -0.29 0.73 -0.94 0.23 0.00 0.00 176.35 176.08 1yen s SER 3 N 1.01 5.92 0.27 2.29 1.04 -1.26 -4.89 113.70 118.08 1yen s SER 3 Ca 0.43 0.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.37 1yen s SER 3 Cb -0.18 -1.79 0.34 0.00 0.10 0.00 0.00 66.02 64.49 1yen s SER 3 CO 0.19 -0.71 1.94 -0.65 0.98 0.00 0.00 173.24 174.99 1yen h PRO 4 N 0.27 1.22 -0.29 4.02 0.11 -1.99 0.24 132.00 135.59 1yen h PRO 4 Ca -0.47 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 1yen h PRO 4 Cb 1.24 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1yen h PRO 4 CO 0.60 0.81 -0.38 0.00 -0.21 0.00 0.00 178.00 178.82 1yen h ALA 5 N 1.42 0.43 -0.32 -0.75 0.00 -1.99 -1.40 119.26 116.66 1yen h ALA 5 Ca 0.35 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1yen h ALA 5 Cb -0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1yen h ALA 5 CO -0.08 0.52 -0.14 -0.44 0.00 0.00 0.00 179.25 179.11 1yen h ASP 6 N 0.52 -0.49 -0.04 0.00 3.32 -1.59 -1.40 116.42 116.74 1yen h ASP 6 Ca 0.03 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.24 1yen h ASP 6 Cb 0.96 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1yen h ASP 6 CO 0.09 -0.18 -0.26 0.11 -1.72 0.00 0.00 179.24 177.28 1yen h LYS 7 N -0.09 -0.36 -0.99 3.56 1.57 -0.35 -1.10 116.57 118.80 1yen h LYS 7 Ca 0.16 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.18 1yen h LYS 7 Cb 0.34 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1yen h LYS 7 CO -0.38 -0.24 0.62 1.15 -0.57 0.00 0.00 179.45 180.03 1yen h THR 8 N -0.38 0.66 0.02 -0.16 2.02 -0.73 -1.05 112.91 113.30 1yen h THR 8 Ca 0.07 -0.22 -0.21 0.00 0.77 0.00 0.00 66.41 66.82 1yen h THR 8 Cb 0.48 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1yen h THR 8 CO -0.25 0.12 -0.95 0.78 0.37 0.00 0.00 175.52 175.59 1yen h ASN 9 N 0.63 0.29 -0.42 4.18 -0.26 -0.16 -2.74 115.58 117.11 1yen h ASN 9 Ca 0.57 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 56.07 1yen h ASN 9 Cb 1.07 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.21 1yen h ASN 9 CO -0.34 1.09 0.26 0.58 -1.06 0.00 0.00 177.43 177.96 1yen h VAL 10 N 0.11 1.07 -0.27 2.81 2.07 -0.15 -2.23 116.25 119.66 1yen h VAL 10 Ca -0.06 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1yen h VAL 10 Cb 1.60 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1yen h VAL 10 CO 0.15 0.10 -0.22 0.11 0.02 0.00 0.00 177.57 177.72 1yen h LYS 11 N 0.54 0.51 0.00 1.57 1.57 -1.20 -2.04 116.57 117.51 1yen h LYS 11 Ca 0.16 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1yen h LYS 11 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1yen h LYS 11 CO -0.06 0.70 -0.25 0.00 -0.57 0.00 0.00 179.45 179.27 1yen h ALA 12 N 1.31 0.85 0.06 3.86 0.00 -1.40 -0.95 119.26 123.00 1yen h ALA 12 Ca 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1yen h ALA 12 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yen h ALA 12 CO 0.05 0.32 -0.55 0.00 0.00 0.00 0.00 179.25 179.06 1yen h ALA 13 N 1.75 0.01 0.00 0.00 0.00 -1.24 -3.22 119.26 116.56 1yen h ALA 13 Ca -0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1yen h ALA 13 Cb 1.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1yen h ALA 13 CO 0.03 0.28 -0.25 2.35 0.00 0.00 0.00 179.25 181.66 1yen h TRP 14 N -0.71 0.00 -0.86 0.00 2.91 -1.42 -0.50 115.95 115.37 1yen h TRP 14 Ca -0.11 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.88 1yen h TRP 14 Cb 1.33 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.94 1yen h TRP 14 CO 0.22 0.25 0.45 0.78 -1.03 0.00 0.00 178.44 179.11 1yen h GLY 15 N 1.42 1.30 1.22 2.65 0.00 -1.30 -1.59 103.07 106.77 1yen h GLY 15 Ca -0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 47.33 46.46 1yen h GLY 15 CO 0.03 0.58 -0.97 0.50 0.00 0.00 0.00 176.54 176.69 1yen h LYS 16 N 1.21 0.72 -0.59 4.80 1.79 -1.30 -3.07 116.57 120.13 1yen h LYS 16 Ca 0.30 -0.72 0.12 0.00 -2.18 0.00 0.00 60.65 58.17 1yen h LYS 16 Cb 0.06 0.19 -0.11 0.00 -1.58 0.00 0.00 32.23 30.80 1yen h LYS 16 CO -0.04 1.30 -0.07 0.28 -1.08 0.00 0.00 179.45 179.83 1yen h VAL 17 N 0.43 0.46 0.00 0.50 2.07 -0.55 -3.43 116.25 115.72 1yen h VAL 17 Ca -0.11 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1yen h VAL 17 Cb 1.62 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1yen h VAL 17 CO 0.19 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1yen n GLY 18 N -1.38 2.84 0.22 2.17 0.00 -0.65 -2.66 105.19 105.74 1yen n GLY 18 Ca 0.07 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1yen n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yen n ALA 19 N 10.75 3.23 0.13 4.61 0.00 -1.26 -4.14 120.51 133.83 1yen n ALA 19 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.10 1yen n ALA 19 Cb 0.00 -1.10 0.25 0.00 0.00 0.00 0.00 19.45 18.60 1yen n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yen n HIS 20 N -0.75 0.92 -0.00 0.00 8.25 -1.09 -4.43 115.22 118.13 1yen n HIS 20 Ca 0.11 -0.40 -0.11 0.00 -0.26 0.00 0.00 57.72 57.05 1yen n HIS 20 Cb 0.36 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 1yen n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yen h ALA 21 N 3.83 0.10 -0.92 -1.41 0.00 -1.74 0.36 119.26 119.48 1yen h ALA 21 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1yen h ALA 21 Cb 0.94 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1yen h ALA 21 CO 0.10 -0.37 0.59 0.78 0.00 0.00 0.00 179.25 180.35 1yen h GLY 22 N 0.05 1.35 0.44 0.00 0.00 -1.84 6.57 103.07 109.64 1yen h GLY 22 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1yen h GLY 22 CO -0.00 0.36 -0.39 0.83 0.00 0.00 0.00 176.54 177.34 1yen h GLU 23 N 1.12 -0.67 -0.62 4.80 5.08 -1.74 0.65 114.58 123.21 1yen h GLU 23 Ca 0.38 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1yen h GLU 23 Cb 0.06 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1yen h GLU 23 CO -0.14 -0.44 0.07 1.88 -1.00 0.00 0.00 179.01 179.38 1yen h TYR 24 N -0.69 1.11 -0.13 4.33 -1.99 0.11 0.22 116.97 119.93 1yen h TYR 24 Ca 0.00 -0.17 0.04 0.00 2.00 0.00 0.00 58.73 60.60 1yen h TYR 24 Cb 0.67 -0.30 -0.07 0.00 2.00 0.00 0.00 36.73 39.04 1yen h TYR 24 CO -0.29 0.96 -0.49 0.78 -0.00 0.00 0.00 178.16 179.12 1yen h GLY 25 N 0.95 -0.92 1.01 3.88 0.00 1.43 -2.19 103.07 107.22 1yen h GLY 25 Ca 0.18 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 48.10 1yen h GLY 25 CO 0.02 -0.21 0.36 0.00 0.00 0.00 0.00 176.54 176.70 1yen h ALA 26 N -0.12 0.93 -0.64 3.60 0.00 0.96 -1.55 119.26 122.45 1yen h ALA 26 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1yen h ALA 26 Cb 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1yen h ALA 26 CO -0.42 0.49 0.42 1.49 0.00 0.00 0.00 179.25 181.23 1yen h GLU 27 N 1.01 0.82 0.65 0.00 4.81 -0.18 -0.37 114.58 121.33 1yen h GLU 27 Ca 0.25 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1yen h GLU 27 Cb 0.11 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.31 1yen h GLU 27 CO -0.03 0.54 -0.31 0.00 -0.73 0.00 0.00 179.01 178.48 1yen h ALA 28 N 1.61 -0.88 -1.16 2.92 0.00 -1.00 -0.26 119.26 120.50 1yen h ALA 28 Ca 0.24 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.31 1yen h ALA 28 Cb -0.08 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 1yen h ALA 28 CO -0.05 -0.84 0.72 -0.07 0.00 0.00 0.00 179.25 179.01 1yen h LEU 29 N -1.19 0.36 -0.04 0.00 3.38 -0.43 0.52 115.31 117.92 1yen h LEU 29 Ca -0.09 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1yen h LEU 29 Cb 0.69 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1yen h LEU 29 CO 0.15 -0.14 -0.23 -0.08 0.09 0.00 0.00 178.44 178.23 1yen h GLU 30 N 0.20 0.23 -0.94 1.13 4.81 -0.63 -2.44 114.58 116.94 1yen h GLU 30 Ca 0.76 -0.19 0.13 0.00 -0.13 0.00 0.00 59.36 59.93 1yen h GLU 30 Cb 2.10 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 31.43 1yen h GLU 30 CO -0.47 0.85 0.56 0.00 -0.73 0.00 0.00 179.01 179.21 1yen h ARG 31 N -0.34 0.82 0.03 1.92 3.08 0.17 -1.44 114.38 118.62 1yen h ARG 31 Ca -0.02 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1yen h ARG 31 Cb 0.89 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1yen h ARG 31 CO 0.05 0.54 -0.16 1.98 -1.07 0.00 0.00 179.97 181.30 1yen h MET 32 N 0.84 -0.27 -0.41 0.04 4.05 -0.62 0.53 114.93 119.09 1yen h MET 32 Ca 0.48 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.91 1yen h MET 32 Cb 0.57 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1yen h MET 32 CO -0.30 -0.18 0.21 0.74 0.23 0.00 0.00 176.91 177.61 1yen h PHE 33 N -0.29 0.55 0.05 1.39 0.04 -0.81 -1.89 116.94 115.98 1yen h PHE 33 Ca 0.04 -0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.54 1yen h PHE 33 Cb 0.34 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1yen h PHE 33 CO -0.20 0.40 -1.41 -0.07 -0.60 0.00 0.00 178.31 176.42 1yen h LEU 34 N 0.57 0.18 0.00 1.54 3.38 -0.78 -3.25 115.31 116.94 1yen h LEU 34 Ca 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1yen h LEU 34 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yen h LEU 34 CO -0.02 1.21 -0.66 0.28 0.09 0.00 0.00 178.44 179.33 1yen h SER 35 N 0.03 0.00 -1.55 -0.43 0.02 -0.77 -3.40 113.55 107.45 1yen h SER 35 Ca -0.18 -0.05 -0.48 0.00 -0.84 0.00 0.00 61.79 60.24 1yen h SER 35 Cb 1.94 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 64.14 1yen h SER 35 CO 0.13 0.03 -0.97 0.49 -1.14 0.00 0.00 176.83 175.37 1yen n PHE 36 N -2.61 -1.02 -0.53 3.45 3.72 -0.72 -5.00 117.46 114.76 1yen n PHE 36 Ca 0.02 -3.17 0.43 0.00 -0.05 0.00 0.00 57.45 54.69 1yen n PHE 36 Cb 0.51 0.08 0.71 0.00 -0.94 0.00 0.00 39.48 39.85 1yen n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yen h PRO 37 N 3.94 0.00 -0.74 -1.08 0.11 -1.76 0.66 132.00 133.13 1yen h PRO 37 Ca 0.02 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.19 1yen h PRO 37 Cb 0.92 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 1yen h PRO 37 CO 0.43 0.00 0.48 1.79 -0.21 0.00 0.00 178.00 180.49 1yen h THR 38 N 0.00 1.03 0.00 -1.15 1.35 -1.92 -0.85 112.91 111.37 1yen h THR 38 Ca 0.90 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.49 1yen h THR 38 Cb 3.06 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1yen h THR 38 CO -0.38 0.14 0.18 0.35 -0.25 0.00 0.00 175.52 175.57 1yen n THR 39 N -4.48 0.88 0.28 6.82 -2.24 0.22 -1.35 114.28 114.43 1yen n THR 39 Ca 0.11 0.70 0.17 0.00 -2.27 0.00 0.00 64.05 62.76 1yen n THR 39 Cb 0.22 -1.70 0.76 0.00 -2.10 0.00 0.00 70.33 67.51 1yen n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1yen h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.35 -3.25 116.57 112.76 1yen h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yen h LYS 40 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1yen h LYS 40 CO 0.00 0.03 0.00 1.79 -0.57 0.00 0.00 179.45 180.70 1yen h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.41 0.55 112.91 113.24 1yen h THR 41 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1yen h THR 41 Cb 0.43 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1yen h THR 41 CO 0.00 0.00 -0.53 -1.22 -0.25 0.00 0.00 175.52 173.52 1yen n TYR 42 N -2.97 0.25 -2.82 4.73 4.01 -1.23 -4.23 117.16 114.91 1yen n TYR 42 Ca -0.01 0.07 -0.26 0.00 -0.16 0.00 0.00 57.90 57.54 1yen n TYR 42 Cb 0.18 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 38.74 1yen n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yen n PHE 43 N -1.78 3.71 0.17 -0.72 3.01 0.18 -4.84 117.46 117.20 1yen n PHE 43 Ca 0.05 -3.73 0.04 0.00 1.01 0.00 0.00 57.45 54.81 1yen n PHE 43 Cb 0.38 -0.37 0.27 0.00 -0.01 0.00 0.00 39.48 39.75 1yen n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yen h PRO 44 N 2.87 0.00 0.00 -1.08 0.13 -1.73 -2.26 132.00 129.93 1yen h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1yen h PRO 44 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1yen h PRO 44 CO 0.81 0.45 -0.21 -2.39 -0.23 0.00 0.00 178.00 176.44 1yen n HIS 45 N -3.56 0.19 -2.67 1.56 1.44 -1.26 -4.90 115.22 106.02 1yen n HIS 45 Ca -0.00 0.05 -0.30 0.00 -2.01 0.00 0.00 57.72 55.46 1yen n HIS 45 Cb 0.56 -0.51 -0.03 0.00 0.12 0.00 0.00 29.99 30.13 1yen n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yen s PHE 46 N -3.03 3.48 -0.47 -1.40 0.40 -0.85 -4.98 117.98 111.13 1yen s PHE 46 Ca 0.12 1.14 -0.27 0.00 -0.60 0.00 0.00 56.93 57.32 1yen s PHE 46 Cb 0.17 -2.53 0.03 0.00 0.51 0.00 0.00 43.02 41.20 1yen s PHE 46 CO 0.61 -0.22 1.02 0.34 0.70 0.00 0.00 175.22 177.66 1yen s ASP 47 N -3.28 6.55 -0.19 1.36 -1.08 -1.26 -4.90 116.67 113.87 1yen s ASP 47 Ca 0.53 0.26 0.10 0.00 -0.52 0.00 0.00 52.55 52.92 1yen s ASP 47 Cb -0.10 -2.49 0.61 0.00 -1.46 0.00 0.00 42.92 39.48 1yen s ASP 47 CO 0.34 -1.14 1.47 0.18 0.52 0.00 0.00 175.17 176.53 1yen n LEU 48 N 7.46 4.69 -4.85 -1.34 4.77 -1.26 -4.46 117.00 122.02 1yen n LEU 48 Ca 0.09 -2.39 -0.32 0.00 -0.03 0.00 0.00 56.01 53.35 1yen n LEU 48 Cb 0.49 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1yen n LEU 48 CO 0.67 0.57 0.54 -0.94 -1.33 0.00 0.00 177.39 176.90 1yen s SER 49 N -0.60 6.71 -0.18 -1.43 1.04 -1.26 -4.92 113.70 113.06 1yen s SER 49 Ca 0.41 1.40 -0.33 0.00 0.48 0.00 0.00 55.95 57.92 1yen s SER 49 Cb 0.32 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.91 1yen s SER 49 CO 0.12 -0.38 2.04 1.57 0.98 0.00 0.00 173.24 177.57 1yen n HIS 50 N -0.95 2.08 0.00 5.02 -0.00 -1.26 0.22 115.22 120.33 1yen n HIS 50 Ca 0.05 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1yen n HIS 50 Cb 0.54 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 1yen n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yen n GLY 51 N 5.25 1.02 2.67 1.57 0.00 -1.26 -5.04 105.19 109.39 1yen n GLY 51 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1yen n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yen n SER 52 N 0.00 -0.49 0.01 1.61 2.88 0.13 -4.83 113.62 112.93 1yen n SER 52 Ca 0.00 0.89 0.13 0.00 -1.33 0.00 0.00 58.87 58.56 1yen n SER 52 Cb 0.00 -0.72 0.48 0.00 -0.75 0.00 0.00 64.21 63.21 1yen n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yen n ALA 53 N 0.58 2.71 0.00 -1.46 0.00 -1.26 -3.08 120.51 118.00 1yen n ALA 53 Ca 0.15 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1yen n ALA 53 Cb 0.13 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 1yen n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1yen h GLN 54 N 0.00 0.17 -0.81 0.00 4.20 -1.88 -3.30 115.11 113.50 1yen h GLN 54 Ca 0.00 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 1yen h GLN 54 Cb 0.53 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1yen h GLN 54 CO 0.00 0.95 0.32 0.28 -0.67 0.00 0.00 178.83 179.72 1yen h VAL 55 N 0.05 1.26 -0.45 -0.54 2.07 -1.76 -1.99 116.25 114.89 1yen h VAL 55 Ca -0.36 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1yen h VAL 55 Cb 2.03 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1yen h VAL 55 CO 0.09 0.34 0.16 0.11 0.02 0.00 0.00 177.57 178.29 1yen h LYS 56 N 1.17 0.68 -0.58 1.57 1.79 -1.68 -0.95 116.57 118.57 1yen h LYS 56 Ca 0.27 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1yen h LYS 56 Cb 0.21 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1yen h LYS 56 CO -0.02 0.64 0.15 0.78 -1.08 0.00 0.00 179.45 179.92 1yen h GLY 57 N 0.58 0.99 0.92 3.86 0.00 -1.62 -1.76 103.07 106.05 1yen h GLY 57 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1yen h GLY 57 CO -0.01 0.57 -0.33 0.84 0.00 0.00 0.00 176.54 177.61 1yen h HIS 58 N 0.83 -0.85 -0.86 5.60 -0.00 -1.21 -1.89 115.15 116.76 1yen h HIS 58 Ca 0.18 -0.02 0.24 0.00 -0.00 0.00 0.00 60.37 60.77 1yen h HIS 58 Cb 0.33 0.28 -0.16 0.00 -0.00 0.00 0.00 27.41 27.86 1yen h HIS 58 CO 0.02 -0.51 0.02 0.41 -0.00 0.00 0.00 177.93 177.87 1yen n GLY 59 N -1.22 -1.18 0.35 5.26 0.00 -0.37 0.14 105.19 108.17 1yen n GLY 59 Ca -0.13 0.85 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 1yen n GLY 59 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1yen h LYS 60 N 0.00 -0.86 -1.54 1.61 3.64 -0.57 0.12 116.57 118.97 1yen h LYS 60 Ca 0.52 0.06 0.45 0.00 -1.27 0.00 0.00 60.65 60.41 1yen h LYS 60 Cb 1.08 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1yen h LYS 60 CO -0.81 -0.58 1.30 0.87 -2.27 0.00 0.00 179.45 177.96 1yen h LYS 61 N -0.90 0.00 0.00 1.90 1.57 0.42 0.47 116.57 120.04 1yen h LYS 61 Ca -0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1yen h LYS 61 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1yen h LYS 61 CO 0.15 0.00 -0.00 0.28 -0.57 0.00 0.00 179.45 179.31 1yen h VAL 62 N 0.00 0.84 -0.67 0.50 2.07 0.49 -2.16 116.25 117.33 1yen h VAL 62 Ca 0.73 -1.63 0.12 0.00 0.82 0.00 0.00 66.70 66.74 1yen h VAL 62 Cb 3.33 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 34.60 1yen h VAL 62 CO -0.01 0.29 0.20 0.00 0.02 0.00 0.00 177.57 178.07 1yen h ALA 63 N -0.53 0.86 -0.31 1.67 0.00 0.22 0.14 119.26 121.31 1yen h ALA 63 Ca -0.00 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1yen h ALA 63 Cb 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yen h ALA 63 CO -0.00 -0.27 -0.09 -0.44 0.00 0.00 0.00 179.25 178.45 1yen h ASP 64 N 0.34 0.50 -0.30 0.00 3.32 -0.73 0.42 116.42 119.96 1yen h ASP 64 Ca 0.36 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1yen h ASP 64 Cb 0.53 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1yen h ASP 64 CO -0.40 0.63 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1yen h ALA 65 N 1.43 1.26 -0.50 3.45 0.00 -0.10 -1.71 119.26 123.08 1yen h ALA 65 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1yen h ALA 65 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1yen h ALA 65 CO 0.02 0.50 -0.15 -0.07 0.00 0.00 0.00 179.25 179.55 1yen h LEU 66 N 0.61 0.97 -0.28 0.00 3.38 0.66 -0.05 115.31 120.61 1yen h LEU 66 Ca 0.13 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1yen h LEU 66 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1yen h LEU 66 CO 0.01 1.11 0.18 0.74 0.09 0.00 0.00 178.44 180.57 1yen h THR 67 N 0.85 1.06 -0.78 0.22 2.02 -0.95 0.45 112.91 115.78 1yen h THR 67 Ca 0.13 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1yen h THR 67 Cb 0.70 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1yen h THR 67 CO 0.05 0.07 0.49 -1.13 0.37 0.00 0.00 175.52 175.37 1yen h ASN 68 N 0.37 0.79 -0.35 4.18 -1.24 -1.12 -1.04 115.58 117.17 1yen h ASN 68 Ca 0.10 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 1yen h ASN 68 Cb -0.04 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1yen h ASN 68 CO -0.03 0.53 0.11 0.00 -1.29 0.00 0.00 177.43 176.75 1yen h ALA 69 N 1.35 0.46 -0.25 1.57 0.00 0.11 -2.85 119.26 119.65 1yen h ALA 69 Ca 0.33 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1yen h ALA 69 Cb 0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1yen h ALA 69 CO -0.14 0.10 -0.31 0.28 0.00 0.00 0.00 179.25 179.18 1yen h VAL 70 N 0.41 0.29 0.00 0.00 2.07 0.98 -0.80 116.25 119.20 1yen h VAL 70 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1yen h VAL 70 Cb 0.25 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1yen h VAL 70 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1yen n ALA 71 N -2.89 1.08 -2.31 1.67 0.00 -0.52 -1.30 120.51 116.24 1yen n ALA 71 Ca -0.01 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1yen n ALA 71 Cb 0.32 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.75 1yen n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yen n HIS 72 N -1.58 2.21 0.03 0.00 8.25 -0.35 -4.89 115.22 118.89 1yen n HIS 72 Ca 0.00 -2.19 0.06 0.00 -0.26 0.00 0.00 57.72 55.34 1yen n HIS 72 Cb 0.02 -0.30 0.48 0.00 1.12 0.00 0.00 29.99 31.31 1yen n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yen h VAL 73 N 3.39 1.04 0.00 1.59 3.04 -0.75 0.58 116.25 125.15 1yen h VAL 73 Ca 0.19 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1yen h VAL 73 Cb 1.44 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1yen h VAL 73 CO 0.55 0.08 0.00 0.47 -1.01 0.00 0.00 177.57 177.66 1yen n ASP 74 N -4.48 0.00 -2.69 3.17 8.00 -1.26 -3.82 116.55 115.47 1yen n ASP 74 Ca 0.03 -0.48 -0.07 0.00 0.71 0.00 0.00 54.79 54.99 1yen n ASP 74 Cb 0.13 -0.17 0.08 0.00 -0.02 0.00 0.00 41.12 41.14 1yen n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yen n ASP 75 N -1.17 -0.25 -0.32 -2.24 2.03 0.16 -4.96 116.55 109.80 1yen n ASP 75 Ca 0.18 -2.53 -0.02 0.00 0.52 0.00 0.00 54.79 52.93 1yen n ASP 75 Cb 0.18 0.25 0.14 0.00 -0.72 0.00 0.00 41.12 40.97 1yen n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yen h MET 76 N 2.41 1.22 -0.65 -0.67 2.86 -1.57 -1.56 114.93 116.97 1yen h MET 76 Ca -0.20 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1yen h MET 76 Cb 1.25 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.61 1yen h MET 76 CO 0.18 0.84 0.43 -1.35 1.06 0.00 0.00 176.91 178.07 1yen h PRO 77 N 1.24 0.76 0.02 -0.22 0.11 -1.93 -1.88 132.00 130.11 1yen h PRO 77 Ca 0.33 -0.05 -0.29 0.00 0.11 0.00 0.00 66.00 66.10 1yen h PRO 77 Cb -0.08 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 30.81 1yen h PRO 77 CO -0.06 0.50 -1.65 -0.91 -0.21 0.00 0.00 178.00 175.67 1yen h ASN 78 N 0.78 0.07 0.11 -2.05 2.35 -1.91 -2.55 115.58 112.38 1yen h ASN 78 Ca 0.26 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1yen h ASN 78 Cb 0.06 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1yen h ASN 78 CO -0.07 1.13 -0.02 0.00 -1.65 0.00 0.00 177.43 176.82 1yen h ALA 79 N 0.86 1.26 -0.02 -0.83 0.00 -0.87 -2.35 119.26 117.31 1yen h ALA 79 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1yen h ALA 79 Cb 1.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1yen h ALA 79 CO 0.09 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1yen n LEU 80 N -3.47 2.14 -0.34 0.00 4.77 -0.74 -4.81 117.00 114.53 1yen n LEU 80 Ca -0.03 -2.26 0.24 0.00 -0.03 0.00 0.00 56.01 53.93 1yen n LEU 80 Cb 0.11 -0.11 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 1yen n LEU 80 CO 0.25 0.56 1.14 -1.28 -1.33 0.00 0.00 177.39 176.73 1yen h SER 81 N 0.10 0.52 0.12 -1.43 0.87 -0.97 0.12 113.55 112.88 1yen h SER 81 Ca 0.00 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1yen h SER 81 Cb 0.63 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1yen h SER 81 CO 0.00 -0.08 -0.06 0.00 -0.53 0.00 0.00 176.83 176.16 1yen h ALA 82 N 1.79 -0.16 0.00 6.23 0.00 -1.87 -2.85 119.26 122.40 1yen h ALA 82 Ca 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1yen h ALA 82 Cb 1.64 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1yen h ALA 82 CO -0.55 -0.28 0.01 -0.07 0.00 0.00 0.00 179.25 178.36 1yen h LEU 83 N -0.79 0.00 0.20 0.00 3.38 -1.58 -0.86 115.31 115.66 1yen h LEU 83 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1yen h LEU 83 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1yen h LEU 83 CO 0.03 0.00 -0.09 -1.28 0.09 0.00 0.00 178.44 177.18 1yen h SER 84 N 0.00 -0.22 -0.75 -0.43 0.87 -0.65 -2.29 113.55 110.08 1yen h SER 84 Ca 0.00 -0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.37 1yen h SER 84 Cb 0.01 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.95 1yen h SER 84 CO 0.00 0.29 0.35 0.44 -0.53 0.00 0.00 176.83 177.38 1yen h ASP 85 N -0.85 0.41 -0.11 6.23 3.32 -1.10 -2.18 116.42 122.15 1yen h ASP 85 Ca -0.03 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1yen h ASP 85 Cb 0.52 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1yen h ASP 85 CO 0.04 0.21 -0.07 0.25 -1.72 0.00 0.00 179.24 177.95 1yen h LEU 86 N 0.56 -0.23 -0.08 1.55 7.12 -1.21 1.11 115.31 124.11 1yen h LEU 86 Ca 0.39 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.45 1yen h LEU 86 Cb 0.49 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1yen h LEU 86 CO -0.33 -0.10 -0.03 1.41 -0.13 0.00 0.00 178.44 179.26 1yen n HIS 87 N -5.21 0.00 -0.58 1.25 8.25 -0.86 -1.74 115.22 116.32 1yen n HIS 87 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1yen n HIS 87 Cb 0.13 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1yen n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yen n ALA 88 N -1.12 1.31 0.01 -1.41 0.00 -0.68 -2.48 120.51 116.14 1yen n ALA 88 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1yen n ALA 88 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1yen n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yen n HIS 89 N -0.15 -0.05 0.27 0.00 -0.00 0.37 -4.68 115.22 110.98 1yen n HIS 89 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 57.72 57.62 1yen n HIS 89 Cb 0.32 0.11 -0.05 0.00 -0.00 0.00 0.00 29.99 30.38 1yen n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1yen h LYS 90 N 0.00 -0.68 0.38 -0.41 3.64 -1.58 -3.34 116.57 114.57 1yen h LYS 90 Ca 0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1yen h LYS 90 Cb 0.00 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1yen h LYS 90 CO 0.00 -0.46 -0.18 -0.07 -2.27 0.00 0.00 179.45 176.47 1yen h LEU 91 N -0.88 -0.43 -2.68 5.20 3.38 -1.62 -3.49 115.31 114.80 1yen h LEU 91 Ca -0.07 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1yen h LEU 91 Cb 0.54 0.11 0.11 0.00 0.09 0.00 0.00 40.66 41.52 1yen h LEU 91 CO 0.12 0.02 -0.48 0.54 0.09 0.00 0.00 178.44 178.73 1yen n ARG 92 N -5.12 -1.29 -2.95 1.13 1.74 -1.18 -4.97 116.66 104.02 1yen n ARG 92 Ca -0.07 0.49 -0.40 0.00 -0.77 0.00 0.00 57.85 57.09 1yen n ARG 92 Cb 0.24 -3.93 -0.05 0.00 -1.02 0.00 0.00 32.46 27.70 1yen n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yen s VAL 93 N -3.22 4.80 0.25 1.55 1.01 -1.04 -5.00 120.40 118.76 1yen s VAL 93 Ca 0.25 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 1yen s VAL 93 Cb -0.03 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1yen s VAL 93 CO 0.41 0.31 1.39 -0.62 0.00 0.00 0.00 175.10 176.59 1yen s ASP 94 N 0.26 6.73 0.53 3.32 -1.08 -1.26 -4.89 116.67 120.27 1yen s ASP 94 Ca 0.40 2.60 0.38 0.00 -0.52 0.00 0.00 52.55 55.41 1yen s ASP 94 Cb -0.20 -2.62 1.55 0.00 -1.46 0.00 0.00 42.92 40.19 1yen s ASP 94 CO 0.23 -0.63 1.74 -0.65 0.52 0.00 0.00 175.17 176.38 1yen h PRO 95 N 4.89 0.04 -0.34 4.34 0.11 -1.96 -0.63 132.00 138.45 1yen h PRO 95 Ca -0.46 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1yen h PRO 95 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1yen h PRO 95 CO 0.76 0.02 -0.07 -0.39 -0.21 0.00 0.00 178.00 178.11 1yen h VAL 96 N 0.04 1.23 -0.46 3.15 -1.51 -2.02 -1.09 116.25 115.58 1yen h VAL 96 Ca 0.66 -0.96 0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1yen h VAL 96 Cb 2.55 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 32.73 1yen h VAL 96 CO -0.06 0.32 0.31 0.78 -1.23 0.00 0.00 177.57 177.69 1yen h ASN 97 N 0.53 0.50 -0.63 4.19 4.21 -1.47 -0.67 115.58 122.24 1yen h ASN 97 Ca 0.10 -0.01 0.14 0.00 1.21 0.00 0.00 56.30 57.75 1yen h ASN 97 Cb 0.45 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 1yen h ASN 97 CO 0.02 0.36 0.43 -0.26 -1.29 0.00 0.00 177.43 176.69 1yen h PHE 98 N 0.59 0.24 -0.14 1.19 -1.00 -1.30 -1.44 116.94 115.09 1yen h PHE 98 Ca 0.18 0.01 -0.20 0.00 2.81 0.00 0.00 57.97 60.76 1yen h PHE 98 Cb -0.01 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1yen h PHE 98 CO -0.00 0.10 -0.72 0.87 -1.61 0.00 0.00 178.31 176.95 1yen h LYS 99 N 0.21 0.63 -0.00 1.51 1.57 -1.13 -2.63 116.57 116.73 1yen h LYS 99 Ca 0.30 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1yen h LYS 99 Cb 0.89 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1yen h LYS 99 CO -0.06 1.12 0.00 -0.07 -0.57 0.00 0.00 179.45 179.87 1yen h LEU 100 N 0.44 0.00 -0.56 2.94 3.38 -1.14 0.85 115.31 121.23 1yen h LEU 100 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1yen h LEU 100 Cb 1.32 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1yen h LEU 100 CO 0.14 0.02 0.26 0.25 0.09 0.00 0.00 178.44 179.20 1yen h LEU 101 N -0.01 0.73 -0.47 1.67 5.85 -1.55 -1.92 115.31 119.61 1yen h LEU 101 Ca 0.00 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1yen h LEU 101 Cb 0.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1yen h LEU 101 CO -0.00 0.66 0.19 0.28 -0.34 0.00 0.00 178.44 179.23 1yen h SER 102 N 0.75 0.22 0.33 1.25 0.02 -1.11 0.46 113.55 115.47 1yen h SER 102 Ca 0.19 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1yen h SER 102 Cb 0.13 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1yen h SER 102 CO -0.02 0.16 0.00 -0.74 -1.14 0.00 0.00 176.83 175.09 1yen h HIS 103 N 0.38 0.00 0.00 3.45 -0.00 -0.29 -1.92 115.15 116.77 1yen h HIS 103 Ca 0.22 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.25 1yen h HIS 103 Cb 0.20 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.55 1yen h HIS 103 CO -0.14 0.00 -2.15 0.00 -0.00 0.00 0.00 177.93 175.64 1yen h LEU 105 N 0.00 0.33 -0.79 0.00 3.38 -0.28 0.42 115.31 118.37 1yen h LEU 105 Ca -0.46 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.52 1yen h LEU 105 Cb 2.15 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.73 1yen h LEU 105 CO 0.04 0.35 0.38 -0.07 0.09 0.00 0.00 178.44 179.24 1yen h LEU 106 N 0.28 0.45 -0.21 1.67 3.38 -1.50 1.37 115.31 120.75 1yen h LEU 106 Ca 0.09 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1yen h LEU 106 Cb 0.11 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1yen h LEU 106 CO -0.01 0.21 -0.36 0.58 0.09 0.00 0.00 178.44 178.95 1yen h VAL 107 N 0.58 1.32 -0.56 1.22 2.07 -1.33 0.23 116.25 119.79 1yen h VAL 107 Ca 0.42 -1.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 1yen h VAL 107 Cb 0.56 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1yen h VAL 107 CO -0.34 0.49 -0.07 0.74 0.02 0.00 0.00 177.57 178.40 1yen h THR 108 N 0.31 1.27 0.00 2.57 2.02 0.60 -1.26 112.91 118.42 1yen h THR 108 Ca 0.02 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 1yen h THR 108 Cb 0.95 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1yen h THR 108 CO 0.08 0.44 -0.09 -0.07 0.37 0.00 0.00 175.52 176.25 1yen h LEU 109 N 0.92 0.00 0.14 2.58 3.38 0.20 -3.13 115.31 119.40 1yen h LEU 109 Ca 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.80 1yen h LEU 109 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1yen h LEU 109 CO 0.04 0.09 -1.59 0.00 0.09 0.00 0.00 178.44 177.07 1yen h ALA 110 N 1.91 0.22 0.00 1.53 0.00 0.63 -3.13 119.26 120.41 1yen h ALA 110 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1yen h ALA 110 Cb 0.48 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1yen h ALA 110 CO 0.01 1.08 0.00 0.00 0.00 0.00 0.00 179.25 180.34 1yen n ALA 111 N -2.72 1.74 -0.01 0.00 0.00 -0.89 -3.56 120.51 115.07 1yen n ALA 111 Ca -0.19 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1yen n ALA 111 Cb 1.06 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 1yen n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yen n HIS 112 N -2.01 0.00 -2.94 0.00 -0.00 -1.22 -4.72 115.22 104.33 1yen n HIS 112 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.49 1yen n HIS 112 Cb 0.23 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.99 29.88 1yen n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yen n LEU 113 N -1.98 4.12 -0.26 2.41 4.32 -1.18 -4.94 117.00 119.48 1yen n LEU 113 Ca -0.04 -5.59 0.07 0.00 -0.02 0.00 0.00 56.01 50.43 1yen n LEU 113 Cb 0.37 -0.42 0.20 0.00 -1.62 0.00 0.00 43.42 41.96 1yen n LEU 113 CO 0.26 2.34 0.96 1.55 -1.22 0.00 0.00 177.39 181.29 1yen h PRO 114 N 2.96 0.30 0.15 3.23 0.13 -1.85 -2.58 132.00 134.35 1yen h PRO 114 Ca 0.13 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.96 1yen h PRO 114 Cb 0.57 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.64 1yen h PRO 114 CO 0.79 0.20 -1.28 0.00 -0.23 0.00 0.00 178.00 177.48 1yen h ALA 115 N 1.62 0.05 0.00 -0.56 0.00 -1.93 -3.35 119.26 115.10 1yen h ALA 115 Ca 0.44 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1yen h ALA 115 Cb 0.76 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1yen h ALA 115 CO -0.50 0.90 -0.78 1.05 0.00 0.00 0.00 179.25 179.92 1yen h GLU 116 N 0.10 0.00 -2.74 0.00 9.09 -1.92 -3.40 114.58 115.70 1yen h GLU 116 Ca -0.16 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.71 1yen h GLU 116 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.10 1yen h GLU 116 CO 0.22 0.31 2.75 0.34 0.05 0.00 0.00 179.01 182.68 1yen n PHE 117 N -3.04 1.78 -1.15 2.06 7.35 -1.00 -4.68 117.46 118.79 1yen n PHE 117 Ca -0.02 -2.68 -0.29 0.00 -0.76 0.00 0.00 57.45 53.71 1yen n PHE 117 Cb 0.72 -2.26 0.18 0.00 0.35 0.00 0.00 39.48 38.46 1yen n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yen s THR 118 N 1.87 2.11 0.15 -2.13 -4.23 -1.26 -4.71 115.64 107.44 1yen s THR 118 Ca 0.69 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.95 1yen s THR 118 Cb 0.22 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 1yen s THR 118 CO -0.04 -0.05 1.57 -0.65 -0.54 0.00 0.00 174.62 174.90 1yen h PRO 119 N -1.89 -0.33 -0.58 3.99 0.11 -1.99 -1.71 132.00 129.60 1yen h PRO 119 Ca -0.54 0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.71 1yen h PRO 119 Cb 1.33 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.40 1yen h PRO 119 CO 0.57 -0.22 -0.12 0.00 -0.21 0.00 0.00 178.00 178.02 1yen h ALA 120 N 0.30 0.41 0.00 -0.75 0.00 -1.95 0.29 119.26 117.57 1yen h ALA 120 Ca 0.12 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1yen h ALA 120 Cb 0.59 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1yen h ALA 120 CO -0.59 -0.43 -0.28 0.28 0.00 0.00 0.00 179.25 178.23 1yen h VAL 121 N 0.02 1.19 -0.02 0.00 2.07 -1.73 0.12 116.25 117.89 1yen h VAL 121 Ca 0.28 -0.98 -0.26 0.00 0.82 0.00 0.00 66.70 66.56 1yen h VAL 121 Cb 0.43 1.53 0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1yen h VAL 121 CO -0.58 0.28 -1.00 -0.74 0.02 0.00 0.00 177.57 175.55 1yen h HIS 122 N 0.00 1.05 -0.59 1.57 6.17 -0.38 -0.48 115.15 122.48 1yen h HIS 122 Ca -0.00 -0.56 -0.10 0.00 0.71 0.00 0.00 60.37 60.42 1yen h HIS 122 Cb 0.51 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.29 1yen h HIS 122 CO 0.00 1.39 -0.03 0.00 0.71 0.00 0.00 177.93 180.00 1yen h ALA 123 N 0.42 0.80 0.42 5.26 0.00 0.29 -1.14 119.26 125.31 1yen h ALA 123 Ca -0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1yen h ALA 123 Cb 1.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1yen h ALA 123 CO 0.20 0.67 -0.20 0.77 0.00 0.00 0.00 179.25 180.69 1yen h SER 124 N 0.96 -0.47 -0.20 0.00 0.02 -0.69 -2.99 113.55 110.18 1yen h SER 124 Ca 0.16 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1yen h SER 124 Cb 0.60 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 1yen h SER 124 CO 0.04 -0.13 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.40 1yen h LEU 125 N -0.84 -0.41 -1.57 5.07 3.38 -1.10 0.12 115.31 119.95 1yen h LEU 125 Ca -0.06 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.26 1yen h LEU 125 Cb 0.55 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 1yen h LEU 125 CO 0.09 -0.16 0.66 -0.78 0.09 0.00 0.00 178.44 178.34 1yen h ASP 126 N -0.12 0.32 0.47 -0.43 3.58 -1.23 0.21 116.42 119.22 1yen h ASP 126 Ca 0.12 0.05 -0.30 0.00 0.42 0.00 0.00 57.03 57.31 1yen h ASP 126 Cb 0.29 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1yen h ASP 126 CO -0.28 0.09 -1.51 0.11 -2.88 0.00 0.00 179.24 174.78 1yen h LYS 127 N 0.30 0.25 -0.02 0.28 1.57 -0.72 -2.20 116.57 116.03 1yen h LYS 127 Ca 0.52 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1yen h LYS 127 Cb 1.49 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.95 1yen h LYS 127 CO -0.18 1.12 -0.06 0.35 -0.57 0.00 0.00 179.45 180.11 1yen h PHE 128 N 0.07 -0.15 -0.44 -1.35 3.57 0.02 -1.44 116.94 117.22 1yen h PHE 128 Ca -0.23 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.31 1yen h PHE 128 Cb 2.01 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.78 1yen h PHE 128 CO 0.06 -0.09 0.22 -0.07 -2.23 0.00 0.00 178.31 176.20 1yen h LEU 129 N -0.09 0.33 -0.73 0.59 3.38 -0.58 0.62 115.31 118.82 1yen h LEU 129 Ca 0.03 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1yen h LEU 129 Cb 0.14 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1yen h LEU 129 CO -0.08 0.23 0.36 0.00 0.09 0.00 0.00 178.44 179.05 1yen h ALA 130 N 1.23 1.02 0.36 1.53 0.00 -1.20 0.14 119.26 122.35 1yen h ALA 130 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1yen h ALA 130 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1yen h ALA 130 CO -0.13 -0.06 -0.30 0.77 0.00 0.00 0.00 179.25 179.53 1yen h SER 131 N 0.60 -0.78 -0.91 0.00 0.02 0.15 0.19 113.55 112.81 1yen h SER 131 Ca 0.37 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.48 1yen h SER 131 Cb 0.42 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.14 1yen h SER 131 CO -0.29 -0.44 0.55 0.58 -1.14 0.00 0.00 176.83 176.09 1yen h VAL 132 N -0.67 0.93 -0.72 2.27 2.07 -0.33 -1.57 116.25 118.23 1yen h VAL 132 Ca -0.03 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1yen h VAL 132 Cb 0.59 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1yen h VAL 132 CO -0.02 0.17 0.26 0.28 0.02 0.00 0.00 177.57 178.27 1yen h SER 133 N 0.91 1.02 -0.10 0.57 0.02 -0.40 -2.63 113.55 112.93 1yen h SER 133 Ca 0.44 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1yen h SER 133 Cb 0.40 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1yen h SER 133 CO -0.25 0.94 -0.16 0.74 -1.14 0.00 0.00 176.83 176.95 1yen h THR 134 N 1.05 1.24 -0.43 -2.27 2.02 0.27 -2.80 112.91 111.98 1yen h THR 134 Ca 0.24 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 1yen h THR 134 Cb 0.26 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1yen h THR 134 CO -0.01 0.35 -0.29 0.58 0.37 0.00 0.00 175.52 176.52 1yen h VAL 135 N 0.43 1.27 0.00 3.16 2.07 -1.20 -3.06 116.25 118.93 1yen h VAL 135 Ca 0.08 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1yen h VAL 135 Cb 0.54 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1yen h VAL 135 CO 0.03 0.49 0.00 0.18 0.02 0.00 0.00 177.57 178.30 1yen n LEU 136 N -4.10 0.00 0.00 2.57 4.77 -1.00 -3.64 117.00 115.59 1yen n LEU 136 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1yen n LEU 136 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1yen n LEU 136 CO 0.47 0.00 -0.02 0.41 -1.33 0.00 0.00 177.39 176.93 1yen n THR 137 N -0.69 0.00 1.29 -5.08 -1.04 -1.09 -4.44 114.28 103.23 1yen n THR 137 Ca 0.09 -0.37 0.13 0.00 -2.04 0.00 0.00 64.05 61.86 1yen n THR 137 Cb 0.04 0.97 0.35 0.00 -1.82 0.00 0.00 70.33 69.87 1yen n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89