#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye1 n HIS 2 N 0.00 3.28 -4.05 2.03 -0.00 -1.26 -4.98 115.22 110.25 1ye1 n HIS 2 Ca 0.00 -3.12 -0.35 0.00 -0.00 0.00 0.00 57.72 54.25 1ye1 n HIS 2 Cb 0.00 -0.91 -0.07 0.00 -0.00 0.00 0.00 29.99 29.01 1ye1 n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ye1 s LEU 3 N -3.99 4.09 0.26 0.27 1.43 -1.26 -5.09 118.68 114.39 1ye1 s LEU 3 Ca 0.43 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.61 1ye1 s LEU 3 Cb 0.23 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 1ye1 s LEU 3 CO -0.14 0.37 0.84 -0.89 0.23 0.00 0.00 176.35 176.76 1ye1 s THR 4 N -1.05 4.35 0.33 5.49 2.01 -1.26 -4.83 115.64 120.69 1ye1 s THR 4 Ca 0.17 1.64 0.12 0.00 0.31 0.00 0.00 61.69 63.92 1ye1 s THR 4 Cb -0.12 -4.00 0.32 0.00 0.01 0.00 0.00 72.50 68.71 1ye1 s THR 4 CO 0.07 0.26 1.69 -0.65 -0.69 0.00 0.00 174.62 175.29 1ye1 h PRO 5 N 3.52 0.40 -0.70 4.92 0.11 -1.98 1.25 132.00 139.53 1ye1 h PRO 5 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1ye1 h PRO 5 Cb 1.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1ye1 h PRO 5 CO 0.65 0.26 0.22 0.93 -0.21 0.00 0.00 178.00 179.85 1ye1 h GLU 6 N 0.41 1.07 -0.13 1.05 3.07 -1.99 0.11 114.58 118.17 1ye1 h GLU 6 Ca 0.69 -0.22 -0.22 0.00 -0.50 0.00 0.00 59.36 59.10 1ye1 h GLU 6 Cb 1.47 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 29.23 1ye1 h GLU 6 CO -0.56 0.92 -0.80 0.93 -1.40 0.00 0.00 179.01 178.10 1ye1 h GLU 7 N 1.03 0.75 -0.17 2.33 5.08 0.76 -2.45 114.58 121.91 1ye1 h GLU 7 Ca 0.23 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1ye1 h GLU 7 Cb 0.29 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ye1 h GLU 7 CO -0.01 1.23 0.10 0.87 -1.00 0.00 0.00 179.01 180.21 1ye1 h LYS 8 N 0.50 0.22 -0.89 2.33 1.57 0.93 -2.59 116.57 118.64 1ye1 h LYS 8 Ca -0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ye1 h LYS 8 Cb 1.42 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.64 1ye1 h LYS 8 CO 0.16 0.18 0.59 1.03 -0.57 0.00 0.00 179.45 180.84 1ye1 h SER 9 N 0.20 1.02 -0.43 0.86 0.87 -0.74 -2.46 113.55 112.87 1ye1 h SER 9 Ca 0.06 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1ye1 h SER 9 Cb 0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1ye1 h SER 9 CO -0.01 0.74 -0.19 0.00 -0.53 0.00 0.00 176.83 176.84 1ye1 h ALA 10 N 1.45 0.61 0.85 6.23 0.00 -1.26 -1.31 119.26 125.83 1ye1 h ALA 10 Ca 0.33 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ye1 h ALA 10 Cb -0.13 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ye1 h ALA 10 CO -0.07 0.57 -0.41 0.28 0.00 0.00 0.00 179.25 179.61 1ye1 h VAL 11 N 0.72 0.00 -0.65 0.00 2.07 -1.26 -2.96 116.25 114.17 1ye1 h VAL 11 Ca 0.10 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.75 1ye1 h VAL 11 Cb 0.75 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 1ye1 h VAL 11 CO 0.06 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.28 1ye1 h THR 12 N -1.15 0.38 0.00 2.57 2.02 -1.48 -1.01 112.91 114.24 1ye1 h THR 12 Ca -0.12 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1ye1 h THR 12 Cb 0.88 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1ye1 h THR 12 CO 0.19 0.01 -0.31 0.00 0.37 0.00 0.00 175.52 175.77 1ye1 h ALA 13 N 1.63 1.03 0.14 6.16 0.00 -1.27 -2.72 119.26 124.24 1ye1 h ALA 13 Ca 0.32 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 1ye1 h ALA 13 Cb 0.51 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ye1 h ALA 13 CO -0.63 0.39 -1.62 1.25 0.00 0.00 0.00 179.25 178.63 1ye1 h LEU 14 N 0.00 0.47 -0.95 0.00 7.12 -1.14 -3.33 115.31 117.49 1ye1 h LEU 14 Ca -0.00 -0.68 0.10 0.00 0.13 0.00 0.00 57.88 57.43 1ye1 h LEU 14 Cb 0.81 -0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 40.71 1ye1 h LEU 14 CO 0.04 1.57 0.58 -0.25 -0.13 0.00 0.00 178.44 180.26 1ye1 h TRP 15 N 0.08 1.06 -1.04 1.25 2.91 -1.15 -0.48 115.95 118.58 1ye1 h TRP 15 Ca -0.28 0.03 0.27 0.00 1.13 0.00 0.00 58.89 60.04 1ye1 h TRP 15 Cb 2.05 -0.34 -0.09 0.00 -0.51 0.00 0.00 29.16 30.28 1ye1 h TRP 15 CO 0.08 0.44 0.68 0.78 -1.03 0.00 0.00 178.44 179.39 1ye1 h GLY 16 N 0.96 1.03 -0.71 2.65 0.00 -1.59 0.31 103.07 105.72 1ye1 h GLY 16 Ca 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ye1 h GLY 16 CO -0.25 -0.11 0.00 0.28 0.00 0.00 0.00 176.54 176.46 1ye1 n LYS 17 N -4.56 1.69 -3.26 4.80 5.02 -0.19 -4.94 118.16 116.71 1ye1 n LYS 17 Ca 0.25 -1.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.12 1ye1 n LYS 17 Cb 0.91 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 34.45 1ye1 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ye1 s VAL 18 N -1.83 4.79 -0.78 -0.18 1.01 0.11 -5.02 120.40 118.50 1ye1 s VAL 18 Ca 0.33 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 1ye1 s VAL 18 Cb 0.18 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.80 1ye1 s VAL 18 CO 0.27 0.52 0.88 0.21 0.00 0.00 0.00 175.10 176.97 1ye1 s ASN 19 N -0.85 6.50 0.54 3.32 3.84 -1.26 -4.90 114.94 122.13 1ye1 s ASN 19 Ca 0.29 -1.99 0.23 0.00 0.21 0.00 0.00 52.86 51.60 1ye1 s ASN 19 Cb -0.19 -2.31 1.42 0.00 -0.55 0.00 0.00 41.25 39.62 1ye1 s ASN 19 CO 0.18 -0.95 2.09 0.58 -2.79 0.00 0.00 177.10 176.21 1ye1 h VAL 20 N 5.57 0.77 0.03 -5.21 2.07 -1.95 -0.32 116.25 117.21 1ye1 h VAL 20 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1ye1 h VAL 20 Cb 1.05 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1ye1 h VAL 20 CO 1.01 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 179.02 1ye1 h ASP 21 N 0.00 -0.03 -0.06 0.57 5.19 -1.93 -0.00 116.42 120.16 1ye1 h ASP 21 Ca 0.10 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 1ye1 h ASP 21 Cb 0.45 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1ye1 h ASP 21 CO -0.00 0.21 -0.17 -0.33 -3.12 0.00 0.00 179.24 175.83 1ye1 h GLU 22 N -0.27 0.22 -0.34 3.56 5.08 -1.83 -3.07 114.58 117.93 1ye1 h GLU 22 Ca -0.00 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1ye1 h GLU 22 Cb 0.25 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1ye1 h GLU 22 CO 0.01 0.77 -0.17 0.28 -1.00 0.00 0.00 179.01 178.90 1ye1 h VAL 23 N -0.29 1.26 -0.41 3.13 2.07 -1.11 -2.15 116.25 118.74 1ye1 h VAL 23 Ca -0.00 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1ye1 h VAL 23 Cb 0.78 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1ye1 h VAL 23 CO 0.04 0.39 0.02 1.23 0.02 0.00 0.00 177.57 179.27 1ye1 h GLY 24 N 0.98 0.76 1.03 2.17 0.00 -1.09 -0.89 103.07 106.04 1ye1 h GLY 24 Ca 0.09 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1ye1 h GLY 24 CO 0.04 0.50 -0.28 -1.33 0.00 0.00 0.00 176.54 175.47 1ye1 h GLY 25 N 0.54 0.88 1.01 4.60 0.00 -1.45 -2.73 103.07 105.93 1ye1 h GLY 25 Ca 0.12 -0.87 -0.11 0.00 0.00 0.00 0.00 47.33 46.47 1ye1 h GLY 25 CO 0.02 0.78 -0.18 -2.09 0.00 0.00 0.00 176.54 175.07 1ye1 h GLU 26 N 0.60 0.81 0.03 4.80 4.81 -1.34 -1.13 114.58 123.15 1ye1 h GLU 26 Ca 0.06 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1ye1 h GLU 26 Cb 0.85 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1ye1 h GLU 26 CO 0.07 0.98 -0.01 0.00 -0.73 0.00 0.00 179.01 179.32 1ye1 h ALA 27 N 0.81 -0.04 -0.58 2.92 0.00 -1.21 0.86 119.26 122.01 1ye1 h ALA 27 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ye1 h ALA 27 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ye1 h ALA 27 CO 0.06 -0.44 0.11 1.25 0.00 0.00 0.00 179.25 180.23 1ye1 h LEU 28 N -0.20 0.91 -0.39 0.00 5.85 -1.55 -1.99 115.31 117.93 1ye1 h LEU 28 Ca -0.00 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1ye1 h LEU 28 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1ye1 h LEU 28 CO 0.01 0.92 -0.09 1.23 -0.34 0.00 0.00 178.44 180.17 1ye1 h GLY 29 N 0.85 0.81 1.01 3.75 0.00 -1.16 -2.53 103.07 105.80 1ye1 h GLY 29 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ye1 h GLY 29 CO 0.01 0.61 0.48 3.21 0.00 0.00 0.00 176.54 180.84 1ye1 h ARG 30 N 0.56 0.98 -0.27 4.80 3.08 -0.66 -2.31 114.38 120.56 1ye1 h ARG 30 Ca 0.10 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1ye1 h ARG 30 Cb 0.60 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 1ye1 h ARG 30 CO 0.04 0.66 -0.17 1.25 -1.07 0.00 0.00 179.97 180.67 1ye1 h LEU 31 N 1.00 -0.56 -2.68 3.04 5.85 -1.24 0.13 115.31 120.86 1ye1 h LEU 31 Ca 0.27 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 1ye1 h LEU 31 Cb -0.10 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ye1 h LEU 31 CO -0.06 -0.21 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.76 1ye1 h LEU 32 N -0.15 0.00 0.03 2.25 3.38 -0.99 -1.66 115.31 118.17 1ye1 h LEU 32 Ca 0.15 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.73 1ye1 h LEU 32 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1ye1 h LEU 32 CO -0.36 0.01 -2.30 0.52 0.09 0.00 0.00 178.44 176.40 1ye1 n VAL 33 N -3.31 1.56 -0.01 1.22 0.31 -0.29 -3.77 118.33 114.04 1ye1 n VAL 33 Ca -0.03 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 1ye1 n VAL 33 Cb 0.10 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 31.30 1ye1 n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ye1 h VAL 34 N -0.28 1.39 -2.90 2.52 2.07 -0.69 -3.36 116.25 115.01 1ye1 h VAL 34 Ca -0.56 -1.29 -0.68 0.00 0.82 0.00 0.00 66.70 64.99 1ye1 h VAL 34 Cb 1.82 2.26 -0.37 0.00 -1.52 0.00 0.00 31.29 33.48 1ye1 h VAL 34 CO -0.14 0.33 -0.16 0.00 0.02 0.00 0.00 177.57 177.62 1ye1 n ALA 35 N -2.40 4.04 -0.18 1.67 0.00 -0.64 -4.96 120.51 118.06 1ye1 n ALA 35 Ca -0.09 -4.67 0.30 0.00 0.00 0.00 0.00 53.44 48.98 1ye1 n ALA 35 Cb 0.28 -1.48 0.69 0.00 0.00 0.00 0.00 19.45 18.94 1ye1 n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ye1 h PRO 36 N 5.30 0.00 0.00 0.00 0.13 -1.72 -1.34 132.00 134.37 1ye1 h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1ye1 h PRO 36 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ye1 h PRO 36 CO 0.91 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 176.01 1ye1 n TRP 37 N -3.81 0.58 0.85 1.56 2.14 -1.26 -2.02 117.44 115.48 1ye1 n TRP 37 Ca 0.20 0.23 0.10 0.00 2.07 0.00 0.00 57.50 60.10 1ye1 n TRP 37 Cb 1.14 -0.86 0.48 0.00 -0.81 0.00 0.00 31.31 31.26 1ye1 n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1ye1 n THR 38 N -2.03 0.47 0.46 -1.67 -2.24 -0.50 -2.98 114.28 105.79 1ye1 n THR 38 Ca 0.03 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1ye1 n THR 38 Cb 0.22 -0.76 0.39 0.00 -2.10 0.00 0.00 70.33 68.08 1ye1 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ye1 n GLN 39 N -1.40 0.09 0.32 -0.78 6.02 -0.86 -2.72 117.38 118.05 1ye1 n GLN 39 Ca 0.07 0.33 0.20 0.00 -0.01 0.00 0.00 57.00 57.59 1ye1 n GLN 39 Cb 0.21 -1.66 1.10 0.00 1.02 0.00 0.00 30.24 30.90 1ye1 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1ye1 h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.77 -1.80 114.38 109.83 1ye1 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ye1 h ARG 40 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1ye1 h ARG 40 CO 0.00 0.00 -0.72 1.19 0.10 0.00 0.00 179.97 180.54 1ye1 n PHE 41 N -3.37 0.00 -2.63 4.08 3.01 -1.10 -4.50 117.46 112.94 1ye1 n PHE 41 Ca -0.03 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.18 1ye1 n PHE 41 Cb 0.09 -0.11 -0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1ye1 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1ye1 n PHE 42 N -1.37 3.19 0.08 1.38 3.01 -0.68 -4.81 117.46 118.27 1ye1 n PHE 42 Ca 0.05 -3.32 -0.10 0.00 1.01 0.00 0.00 57.45 55.10 1ye1 n PHE 42 Cb 0.34 -0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 1ye1 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ye1 h GLU 43 N 2.74 0.12 0.00 -1.08 4.39 -1.79 -3.21 114.58 115.75 1ye1 h GLU 43 Ca 0.21 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ye1 h GLU 43 Cb 0.85 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1ye1 h GLU 43 CO 0.79 1.06 0.00 -1.13 -1.16 0.00 0.00 179.01 178.57 1ye1 n SER 44 N -3.47 0.00 0.17 1.42 3.41 -1.26 -3.14 113.62 110.75 1ye1 n SER 44 Ca -0.03 0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1ye1 n SER 44 Cb 0.94 -0.32 0.08 0.00 -0.26 0.00 0.00 64.21 64.65 1ye1 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ye1 h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.94 -3.50 116.94 118.87 1ye1 h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1ye1 h PHE 45 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.16 1ye1 h PHE 45 CO 0.00 0.28 0.00 0.41 -0.18 0.00 0.00 178.31 178.82 1ye1 n GLY 46 N 1.17 0.27 3.63 -1.45 0.00 -1.19 -4.78 105.19 102.85 1ye1 n GLY 46 Ca 0.03 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1ye1 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ye1 s ASP 47 N -4.00 6.41 -0.18 1.61 -1.08 -1.26 -4.90 116.67 113.27 1ye1 s ASP 47 Ca 0.00 0.49 0.14 0.00 -0.52 0.00 0.00 52.55 52.66 1ye1 s ASP 47 Cb 0.00 -2.25 0.43 0.00 -1.46 0.00 0.00 42.92 39.64 1ye1 s ASP 47 CO 0.00 -0.20 1.20 0.18 0.52 0.00 0.00 175.17 176.88 1ye1 n LEU 48 N 5.13 2.56 0.27 -1.34 4.77 -1.26 -4.39 117.00 122.74 1ye1 n LEU 48 Ca -0.06 -3.58 0.16 0.00 -0.03 0.00 0.00 56.01 52.50 1ye1 n LEU 48 Cb 0.50 -0.37 0.67 0.00 -2.33 0.00 0.00 43.42 41.90 1ye1 n LEU 48 CO 0.40 1.29 0.97 0.28 -1.33 0.00 0.00 177.39 178.99 1ye1 h SER 49 N 1.18 0.00 -5.13 -1.43 0.02 -1.90 -3.45 113.55 102.84 1ye1 h SER 49 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1ye1 h SER 49 Cb 1.25 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.64 1ye1 h SER 49 CO 0.11 0.05 -0.45 0.42 -1.14 0.00 0.00 176.83 175.82 1ye1 s THR 50 N -3.71 0.14 0.18 -2.27 -4.23 -1.26 -5.00 115.64 99.48 1ye1 s THR 50 Ca 0.01 -1.17 -0.23 0.00 -1.18 0.00 0.00 61.69 59.11 1ye1 s THR 50 Cb 0.10 -1.17 0.08 0.00 1.34 0.00 0.00 72.50 72.84 1ye1 s THR 50 CO 0.56 -0.65 1.58 -0.65 -0.54 0.00 0.00 174.62 174.92 1ye1 h PRO 51 N 3.15 -0.20 -0.41 3.99 0.11 -1.98 0.29 132.00 136.95 1ye1 h PRO 51 Ca -0.33 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.88 1ye1 h PRO 51 Cb 1.19 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1ye1 h PRO 51 CO 0.54 -0.13 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.55 1ye1 h ASP 52 N -0.21 -0.73 0.23 -2.05 3.32 -1.97 0.58 116.42 115.59 1ye1 h ASP 52 Ca 0.20 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 1ye1 h ASP 52 Cb 0.56 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ye1 h ASP 52 CO -0.67 -0.24 -0.15 0.00 -1.72 0.00 0.00 179.24 176.46 1ye1 h ALA 53 N 1.11 1.55 0.01 3.45 0.00 -1.42 0.14 119.26 124.10 1ye1 h ALA 53 Ca 0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ye1 h ALA 53 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ye1 h ALA 53 CO -0.50 0.18 -0.50 0.28 0.00 0.00 0.00 179.25 178.72 1ye1 h VAL 54 N 0.00 1.47 0.00 0.00 2.07 0.20 -2.79 116.25 117.20 1ye1 h VAL 54 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1ye1 h VAL 54 Cb 0.30 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1ye1 h VAL 54 CO 0.02 0.52 -0.05 0.24 0.02 0.00 0.00 177.57 178.32 1ye1 h MET 55 N -0.95 0.00 0.02 1.57 2.07 0.13 -2.74 114.93 115.03 1ye1 h MET 55 Ca -0.13 0.00 -0.27 0.00 -2.07 0.00 0.00 59.70 57.23 1ye1 h MET 55 Cb 1.16 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.85 1ye1 h MET 55 CO -0.06 0.05 -1.48 0.78 1.07 0.00 0.00 176.91 177.27 1ye1 h GLY 56 N 0.16 0.04 -6.28 8.32 0.00 -0.84 -3.47 103.07 101.00 1ye1 h GLY 56 Ca -0.00 -0.11 -0.58 0.00 0.00 0.00 0.00 47.33 46.64 1ye1 h GLY 56 CO 0.01 0.09 1.36 -2.01 0.00 0.00 0.00 176.54 175.99 1ye1 n ASN 57 N -3.20 3.51 0.07 0.19 2.85 -1.03 -4.85 115.26 112.80 1ye1 n ASN 57 Ca -0.12 0.54 0.03 0.00 -0.11 0.00 0.00 54.58 54.93 1ye1 n ASN 57 Cb 1.02 -1.50 0.42 0.00 1.24 0.00 0.00 39.78 40.95 1ye1 n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ye1 h PRO 58 N 12.69 0.38 -0.62 1.20 0.13 -1.90 -1.94 132.00 141.95 1ye1 h PRO 58 Ca -0.44 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1ye1 h PRO 58 Cb 1.25 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1ye1 h PRO 58 CO 0.96 0.35 0.20 0.87 -0.23 0.00 0.00 178.00 180.15 1ye1 h LYS 59 N 0.38 0.94 0.05 0.86 1.57 -1.88 -0.64 116.57 117.85 1ye1 h LYS 59 Ca 0.09 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ye1 h LYS 59 Cb 0.14 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ye1 h LYS 59 CO -0.01 0.81 -0.02 0.28 -0.57 0.00 0.00 179.45 179.94 1ye1 h VAL 60 N 0.92 1.13 -0.97 0.50 2.07 -1.73 -1.54 116.25 116.64 1ye1 h VAL 60 Ca 0.21 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ye1 h VAL 60 Cb 0.26 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1ye1 h VAL 60 CO -0.01 0.15 0.64 0.11 0.02 0.00 0.00 177.57 178.48 1ye1 h LYS 61 N -0.34 1.28 0.00 1.57 6.56 -1.18 -0.30 116.57 124.16 1ye1 h LYS 61 Ca -0.01 -0.08 -0.15 0.00 -1.06 0.00 0.00 60.65 59.36 1ye1 h LYS 61 Cb 0.30 -0.29 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 1ye1 h LYS 61 CO 0.01 0.85 -0.71 0.00 -2.06 0.00 0.00 179.45 177.54 1ye1 h ALA 62 N 1.39 0.74 -0.08 3.86 0.00 -1.11 -2.33 119.26 121.74 1ye1 h ALA 62 Ca 0.35 -0.65 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 1ye1 h ALA 62 Cb -0.15 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ye1 h ALA 62 CO -0.08 0.89 -0.87 1.25 0.00 0.00 0.00 179.25 180.45 1ye1 h HIS 63 N 0.00 0.90 -0.89 0.00 -0.00 -0.71 -2.91 115.15 111.54 1ye1 h HIS 63 Ca -0.01 -0.43 0.05 0.00 -0.00 0.00 0.00 60.37 59.98 1ye1 h HIS 63 Cb 1.33 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 28.55 1ye1 h HIS 63 CO 0.00 1.25 0.57 0.78 -0.00 0.00 0.00 177.93 180.53 1ye1 h GLY 64 N 0.76 1.33 1.72 5.26 0.00 -0.97 -0.56 103.07 110.61 1ye1 h GLY 64 Ca -0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 1ye1 h GLY 64 CO 0.17 0.31 -0.48 1.70 0.00 0.00 0.00 176.54 178.24 1ye1 h LYS 65 N 1.05 0.30 -0.27 4.80 3.64 -1.42 -1.40 116.57 123.28 1ye1 h LYS 65 Ca 0.38 -0.17 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 1ye1 h LYS 65 Cb 0.11 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ye1 h LYS 65 CO -0.15 0.72 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.01 1ye1 h LYS 66 N 0.25 0.84 0.26 1.90 3.64 -1.21 -1.89 116.57 120.35 1ye1 h LYS 66 Ca 0.01 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1ye1 h LYS 66 Cb 0.94 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1ye1 h LYS 66 CO 0.08 1.17 -0.13 0.28 -2.27 0.00 0.00 179.45 178.58 1ye1 h VAL 67 N 0.61 0.77 0.00 2.00 2.07 -1.03 -2.65 116.25 118.02 1ye1 h VAL 67 Ca 0.01 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1ye1 h VAL 67 Cb 1.13 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1ye1 h VAL 67 CO 0.12 0.13 -0.06 -0.07 0.02 0.00 0.00 177.57 177.71 1ye1 h LEU 68 N -0.72 0.00 0.59 2.57 -0.00 -1.34 -1.22 115.31 115.20 1ye1 h LEU 68 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1ye1 h LEU 68 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1ye1 h LEU 68 CO 0.06 0.06 -0.28 1.23 -0.00 0.00 0.00 178.44 179.51 1ye1 h GLY 69 N 0.79 -0.83 0.54 0.83 0.00 -1.23 0.47 103.07 103.65 1ye1 h GLY 69 Ca -0.00 0.31 0.10 0.00 0.00 0.00 0.00 47.33 47.74 1ye1 h GLY 69 CO 0.01 -0.30 0.61 0.00 0.00 0.00 0.00 176.54 176.86 1ye1 h ALA 70 N -0.73 1.43 0.06 3.60 0.00 -1.13 -0.66 119.26 121.83 1ye1 h ALA 70 Ca -0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ye1 h ALA 70 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ye1 h ALA 70 CO 0.13 0.26 -0.03 0.35 0.00 0.00 0.00 179.25 179.97 1ye1 h PHE 71 N 1.01 -0.07 -0.70 0.00 3.57 -1.05 -2.50 116.94 117.19 1ye1 h PHE 71 Ca 0.47 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.12 1ye1 h PHE 71 Cb 0.39 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.04 1ye1 h PHE 71 CO -0.01 0.11 0.09 1.03 -2.23 0.00 0.00 178.31 177.30 1ye1 h SER 72 N -0.25 -0.14 0.55 0.41 0.87 0.14 0.23 113.55 115.35 1ye1 h SER 72 Ca -0.01 0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1ye1 h SER 72 Cb 0.22 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1ye1 h SER 72 CO 0.01 -0.09 -0.37 0.44 -0.53 0.00 0.00 176.83 176.30 1ye1 h ASP 73 N 0.19 0.00 0.38 6.23 3.32 -1.17 -2.61 116.42 122.76 1ye1 h ASP 73 Ca 0.39 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1ye1 h ASP 73 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1ye1 h ASP 73 CO -0.55 0.37 -0.25 1.23 -1.72 0.00 0.00 179.24 178.32 1ye1 h GLY 74 N 1.46 0.00 1.50 2.75 0.00 -0.09 -2.27 103.07 106.42 1ye1 h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ye1 h GLY 74 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.63 1ye1 n LEU 75 N -3.94 0.00 -0.48 3.11 4.77 -0.98 -1.10 117.00 118.38 1ye1 n LEU 75 Ca -0.02 0.25 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1ye1 n LEU 75 Cb 0.33 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1ye1 n LEU 75 CO 0.35 -0.13 0.33 0.00 -1.33 0.00 0.00 177.39 176.62 1ye1 n ALA 76 N -1.25 3.09 -2.65 -1.18 0.00 -0.86 -4.30 120.51 113.36 1ye1 n ALA 76 Ca 0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 1ye1 n ALA 76 Cb 0.11 -0.62 0.04 0.00 0.00 0.00 0.00 19.45 18.98 1ye1 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye1 n HIS 77 N 0.16 1.60 0.08 0.00 8.25 -0.26 -4.88 115.22 120.17 1ye1 n HIS 77 Ca 0.08 -2.38 0.04 0.00 -0.26 0.00 0.00 57.72 55.21 1ye1 n HIS 77 Cb 0.39 -0.27 0.23 0.00 1.12 0.00 0.00 29.99 31.45 1ye1 n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1ye1 n LEU 78 N -0.48 0.21 -0.97 2.41 7.94 -1.14 -0.77 117.00 124.21 1ye1 n LEU 78 Ca 0.15 0.60 0.08 0.00 -1.11 0.00 0.00 56.01 55.73 1ye1 n LEU 78 Cb 0.82 -0.62 0.23 0.00 0.53 0.00 0.00 43.42 44.38 1ye1 n LEU 78 CO 0.19 -0.65 0.70 0.47 -1.11 0.00 0.00 177.39 176.98 1ye1 n ASP 79 N -1.78 3.43 -2.70 1.96 10.43 -1.26 -1.86 116.55 124.77 1ye1 n ASP 79 Ca -0.00 -2.04 -0.06 0.00 2.57 0.00 0.00 54.79 55.26 1ye1 n ASP 79 Cb 0.02 -0.35 0.07 0.00 1.84 0.00 0.00 41.12 42.70 1ye1 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1ye1 n ASN 80 N 0.97 -1.85 0.12 -2.24 5.15 0.05 -4.61 115.26 112.86 1ye1 n ASN 80 Ca 0.18 -2.37 -0.02 0.00 -0.60 0.00 0.00 54.58 51.77 1ye1 n ASN 80 Cb 0.53 1.17 0.19 0.00 -0.53 0.00 0.00 39.78 41.14 1ye1 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ye1 h LEU 81 N 3.32 0.11 0.43 1.20 3.38 -1.71 -2.50 115.31 119.54 1ye1 h LEU 81 Ca -0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1ye1 h LEU 81 Cb 1.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1ye1 h LEU 81 CO 0.00 0.64 -0.28 0.50 0.09 0.00 0.00 178.44 179.39 1ye1 h LYS 82 N 0.08 -0.67 -0.04 1.13 1.63 -1.90 0.33 116.57 117.13 1ye1 h LYS 82 Ca -0.00 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 1ye1 h LYS 82 Cb 1.00 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1ye1 h LYS 82 CO 0.08 -0.44 -0.29 0.78 -3.45 0.00 0.00 179.45 176.12 1ye1 h GLY 83 N -0.69 0.08 1.61 5.01 0.00 -1.94 -2.06 103.07 105.08 1ye1 h GLY 83 Ca -0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 1ye1 h GLY 83 CO 0.03 0.06 -0.62 -0.84 0.00 0.00 0.00 176.54 175.17 1ye1 h THR 84 N 0.07 1.36 -0.55 4.70 2.02 -0.95 -3.26 112.91 116.30 1ye1 h THR 84 Ca 0.01 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1ye1 h THR 84 Cb 0.56 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1ye1 h THR 84 CO 0.04 0.59 0.00 0.49 0.37 0.00 0.00 175.52 177.01 1ye1 n PHE 85 N -3.89 1.26 0.10 3.16 3.01 0.06 -4.68 117.46 116.47 1ye1 n PHE 85 Ca -0.03 -0.63 -0.13 0.00 1.01 0.00 0.00 57.45 57.67 1ye1 n PHE 85 Cb 0.64 -0.22 -0.06 0.00 -0.01 0.00 0.00 39.48 39.83 1ye1 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ye1 h ALA 86 N 3.46 -0.54 -0.46 4.37 0.00 -1.42 0.37 119.26 125.02 1ye1 h ALA 86 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ye1 h ALA 86 Cb 1.35 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1ye1 h ALA 86 CO 0.20 -0.87 -0.08 1.15 0.00 0.00 0.00 179.25 179.65 1ye1 h THR 87 N -0.54 1.25 -0.13 0.00 2.02 -1.86 -1.48 112.91 112.18 1ye1 h THR 87 Ca 0.04 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 65.98 1ye1 h THR 87 Cb 0.58 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1ye1 h THR 87 CO -0.21 0.39 -0.37 0.25 0.37 0.00 0.00 175.52 175.95 1ye1 h LEU 88 N 0.74 0.28 -0.05 2.58 5.85 -1.79 -2.21 115.31 120.71 1ye1 h LEU 88 Ca 0.13 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ye1 h LEU 88 Cb 0.56 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ye1 h LEU 88 CO 0.03 0.63 0.00 -1.28 -0.34 0.00 0.00 178.44 177.49 1ye1 h SER 89 N 0.23 0.09 -0.60 1.25 0.87 0.21 -2.18 113.55 113.42 1ye1 h SER 89 Ca 0.03 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1ye1 h SER 89 Cb 0.76 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 1ye1 h SER 89 CO 0.06 0.37 0.33 -0.33 -0.53 0.00 0.00 176.83 176.73 1ye1 h GLU 90 N -0.19 0.62 -0.65 2.24 5.08 -1.20 -2.59 114.58 117.89 1ye1 h GLU 90 Ca 0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1ye1 h GLU 90 Cb 0.32 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1ye1 h GLU 90 CO 0.00 0.41 0.39 1.25 -1.00 0.00 0.00 179.01 180.06 1ye1 h LEU 91 N 0.64 0.62 -0.99 1.33 5.85 -1.34 0.22 115.31 121.65 1ye1 h LEU 91 Ca 0.26 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 1ye1 h LEU 91 Cb 0.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ye1 h LEU 91 CO -0.15 0.42 -0.39 0.45 -0.34 0.00 0.00 178.44 178.43 1ye1 h HIS 92 N 0.75 0.26 0.02 1.25 3.86 -1.20 0.91 115.15 121.00 1ye1 h HIS 92 Ca 0.27 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1ye1 h HIS 92 Cb 0.07 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1ye1 h HIS 92 CO -0.06 0.59 -0.01 0.00 0.86 0.00 0.00 177.93 179.31 1ye1 h ASP 94 N -0.37 0.00 0.00 0.00 3.32 -0.67 -2.99 116.42 115.71 1ye1 h ASP 94 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 1ye1 h ASP 94 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1ye1 h ASP 94 CO 0.00 0.44 -1.63 0.29 -1.72 0.00 0.00 179.24 176.62 1ye1 n LYS 95 N -3.90 0.25 0.07 3.56 4.01 0.18 -4.80 118.16 117.53 1ye1 n LYS 95 Ca -0.01 0.09 0.10 0.00 -0.51 0.00 0.00 58.31 57.97 1ye1 n LYS 95 Cb 0.48 -1.01 -0.05 0.00 -0.51 0.00 0.00 35.03 33.94 1ye1 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ye1 n LEU 96 N -3.28 0.66 -3.61 -0.35 4.77 -0.41 -5.00 117.00 109.79 1ye1 n LEU 96 Ca -0.22 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 55.81 1ye1 n LEU 96 Cb 0.68 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1ye1 n LEU 96 CO 0.04 -0.10 0.07 1.41 -1.33 0.00 0.00 177.39 177.48 1ye1 n HIS 97 N -2.62 -2.21 -3.32 -1.77 8.25 0.23 -4.95 115.22 108.83 1ye1 n HIS 97 Ca -0.03 0.91 -0.38 0.00 -0.26 0.00 0.00 57.72 57.96 1ye1 n HIS 97 Cb 0.60 -4.71 -0.07 0.00 1.12 0.00 0.00 29.99 26.93 1ye1 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ye1 s VAL 98 N -3.46 5.16 0.08 1.59 1.01 -0.42 -5.03 120.40 119.33 1ye1 s VAL 98 Ca 0.17 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1ye1 s VAL 98 Cb -0.08 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1ye1 s VAL 98 CO 0.77 0.24 1.38 -0.62 0.00 0.00 0.00 175.10 176.87 1ye1 s ASP 99 N 0.98 6.86 0.39 3.32 3.68 -1.26 -4.73 116.67 125.91 1ye1 s ASP 99 Ca 0.23 2.24 0.20 0.00 2.13 0.00 0.00 52.55 57.35 1ye1 s ASP 99 Cb -0.15 -2.58 1.10 0.00 -1.45 0.00 0.00 42.92 39.84 1ye1 s ASP 99 CO 0.09 -0.65 1.57 -0.65 0.13 0.00 0.00 175.17 175.66 1ye1 h PRO 100 N 7.09 0.00 -0.18 4.34 0.11 -1.97 -2.25 132.00 139.14 1ye1 h PRO 100 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1ye1 h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ye1 h PRO 100 CO 0.87 0.00 -0.03 1.49 -0.21 0.00 0.00 178.00 180.12 1ye1 h GLU 101 N 0.00 0.27 -0.73 1.05 4.57 -1.98 -1.85 114.58 115.90 1ye1 h GLU 101 Ca 0.00 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.24 1ye1 h GLU 101 Cb 0.39 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1ye1 h GLU 101 CO 0.00 0.32 0.48 -0.91 -1.18 0.00 0.00 179.01 177.72 1ye1 h ASN 102 N 0.26 0.54 -0.05 1.04 -0.26 -1.79 -1.41 115.58 113.91 1ye1 h ASN 102 Ca 0.06 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1ye1 h ASN 102 Cb 0.23 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1ye1 h ASN 102 CO 0.01 0.32 -0.13 -0.26 -1.06 0.00 0.00 177.43 176.31 1ye1 h PHE 103 N 0.60 0.38 0.19 1.19 0.04 -1.52 -0.55 116.94 117.27 1ye1 h PHE 103 Ca 0.34 -0.05 -0.31 0.00 2.80 0.00 0.00 57.97 60.76 1ye1 h PHE 103 Cb 0.52 -0.10 0.02 0.00 2.20 0.00 0.00 35.95 38.59 1ye1 h PHE 103 CO -0.00 0.48 -1.35 0.00 -0.60 0.00 0.00 178.31 176.84 1ye1 h ARG 104 N 0.34 0.45 -0.14 1.51 3.08 -1.39 -2.66 114.38 115.56 1ye1 h ARG 104 Ca 0.07 -0.73 -0.00 0.00 0.07 0.00 0.00 59.98 59.38 1ye1 h ARG 104 Cb 0.43 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1ye1 h ARG 104 CO 0.02 1.34 0.09 -0.07 -1.07 0.00 0.00 179.97 180.28 1ye1 h LEU 105 N 0.14 0.17 -0.35 3.04 3.38 -0.95 -2.46 115.31 118.28 1ye1 h LEU 105 Ca -0.20 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1ye1 h LEU 105 Cb 2.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 1ye1 h LEU 105 CO 0.24 0.18 0.20 0.25 0.09 0.00 0.00 178.44 179.40 1ye1 h LEU 106 N 0.16 0.32 -0.72 1.67 5.85 -1.16 -1.70 115.31 119.72 1ye1 h LEU 106 Ca 0.05 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.93 1ye1 h LEU 106 Cb 0.04 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 1ye1 h LEU 106 CO -0.01 0.23 0.20 1.23 -0.34 0.00 0.00 178.44 179.75 1ye1 h GLY 107 N 0.40 1.02 1.19 3.75 0.00 -1.38 0.96 103.07 109.02 1ye1 h GLY 107 Ca 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1ye1 h GLY 107 CO -0.07 -0.16 -0.24 3.43 0.00 0.00 0.00 176.54 179.49 1ye1 h ASN 108 N 0.31 0.95 -0.26 0.19 2.35 -0.95 -0.94 115.58 117.22 1ye1 h ASN 108 Ca 0.40 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1ye1 h ASN 108 Cb 0.66 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1ye1 h ASN 108 CO -0.47 1.14 0.14 0.58 -1.65 0.00 0.00 177.43 177.17 1ye1 h VAL 109 N 0.79 1.12 -0.48 2.81 2.07 0.06 -1.69 116.25 120.94 1ye1 h VAL 109 Ca 0.10 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1ye1 h VAL 109 Cb 0.80 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 1ye1 h VAL 109 CO 0.07 0.12 -0.20 0.25 0.02 0.00 0.00 177.57 177.83 1ye1 h LEU 110 N 0.31 -0.71 -1.08 2.57 5.85 0.12 0.25 115.31 122.62 1ye1 h LEU 110 Ca 0.09 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1ye1 h LEU 110 Cb 0.07 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1ye1 h LEU 110 CO -0.01 -0.23 0.62 0.58 -0.34 0.00 0.00 178.44 179.05 1ye1 h VAL 111 N -0.10 1.12 -0.41 1.05 2.07 -0.86 -0.04 116.25 119.06 1ye1 h VAL 111 Ca 0.23 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1ye1 h VAL 111 Cb 0.45 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1ye1 h VAL 111 CO -0.54 0.21 -0.18 0.00 0.02 0.00 0.00 177.57 177.07 1ye1 h VAL 113 N 0.70 1.16 -0.61 0.00 2.07 0.53 -1.43 116.25 118.68 1ye1 h VAL 113 Ca 0.10 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1ye1 h VAL 113 Cb 0.69 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1ye1 h VAL 113 CO 0.05 0.15 0.33 -0.07 0.02 0.00 0.00 177.57 178.05 1ye1 h LEU 114 N 0.06 0.48 -0.71 2.57 3.38 -0.95 -1.22 115.31 118.91 1ye1 h LEU 114 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ye1 h LEU 114 Cb 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ye1 h LEU 114 CO -0.00 0.31 0.40 0.00 0.09 0.00 0.00 178.44 179.24 1ye1 h ALA 115 N 1.32 0.92 -0.41 1.53 0.00 -1.19 0.11 119.26 121.53 1ye1 h ALA 115 Ca 0.27 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1ye1 h ALA 115 Cb 0.17 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1ye1 h ALA 115 CO -0.18 0.42 0.07 1.25 0.00 0.00 0.00 179.25 180.81 1ye1 h HIS 116 N 0.98 0.10 0.00 0.00 6.17 -0.41 -1.56 115.15 120.43 1ye1 h HIS 116 Ca 0.25 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 1ye1 h HIS 116 Cb 0.03 0.02 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1ye1 h HIS 116 CO -0.00 -0.01 -0.00 0.45 0.71 0.00 0.00 177.93 179.07 1ye1 h HIS 117 N 0.19 -0.00 -0.02 5.26 -0.00 -0.99 -3.37 115.15 116.22 1ye1 h HIS 117 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1ye1 h HIS 117 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1ye1 h HIS 117 CO -0.22 0.59 -0.14 1.19 -0.00 0.00 0.00 177.93 179.34 1ye1 n PHE 118 N -4.81 0.00 0.00 2.45 3.01 0.00 -5.03 117.46 113.08 1ye1 n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1ye1 n PHE 118 Cb 0.30 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1ye1 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ye1 n GLY 119 N 1.32 1.96 0.32 1.37 0.00 -0.59 -0.25 105.19 109.32 1ye1 n GLY 119 Ca 0.14 0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.62 1ye1 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ye1 h LYS 120 N 0.00 0.09 -0.39 1.61 2.10 -1.96 0.20 116.57 118.22 1ye1 h LYS 120 Ca 0.00 -0.01 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1ye1 h LYS 120 Cb 0.00 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 1ye1 h LYS 120 CO 0.00 0.06 0.27 1.49 -2.00 0.00 0.00 179.45 179.27 1ye1 h GLU 121 N 0.09 0.10 -4.10 0.07 4.81 -1.02 -3.29 114.58 111.24 1ye1 h GLU 121 Ca 0.58 -0.01 -0.75 0.00 -0.13 0.00 0.00 59.36 59.06 1ye1 h GLU 121 Cb 1.21 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 1ye1 h GLU 121 CO -0.79 0.06 1.71 0.34 -0.73 0.00 0.00 179.01 179.61 1ye1 n PHE 122 N -4.45 3.91 -1.76 0.92 7.35 0.06 -4.93 117.46 118.56 1ye1 n PHE 122 Ca 0.06 -3.06 -0.31 0.00 -0.76 0.00 0.00 57.45 53.38 1ye1 n PHE 122 Cb 0.39 -2.06 0.03 0.00 0.35 0.00 0.00 39.48 38.19 1ye1 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ye1 s THR 123 N 0.95 4.42 0.24 -2.13 -4.23 -1.24 -4.74 115.64 108.91 1ye1 s THR 123 Ca 0.41 0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 61.64 1ye1 s THR 123 Cb 0.04 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.46 1ye1 s THR 123 CO 0.00 -1.03 1.64 -0.65 -0.54 0.00 0.00 174.62 174.05 1ye1 h PRO 124 N -0.48 0.12 -0.07 3.99 0.11 -1.94 0.76 132.00 134.48 1ye1 h PRO 124 Ca -0.44 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1ye1 h PRO 124 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ye1 h PRO 124 CO 0.60 0.08 -0.29 -1.35 -0.21 0.00 0.00 178.00 176.83 1ye1 h PRO 125 N 0.12 0.13 0.16 1.05 0.11 -1.99 -0.77 132.00 130.80 1ye1 h PRO 125 Ca 0.41 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 66.17 1ye1 h PRO 125 Cb 0.72 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 31.86 1ye1 h PRO 125 CO -0.64 0.41 -1.31 0.28 -0.21 0.00 0.00 178.00 176.53 1ye1 h VAL 126 N 0.12 1.28 -0.88 3.15 2.07 -0.12 -2.92 116.25 118.94 1ye1 h VAL 126 Ca 0.02 -2.52 0.01 0.00 0.82 0.00 0.00 66.70 65.02 1ye1 h VAL 126 Cb 0.58 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.09 1ye1 h VAL 126 CO 0.04 0.77 0.58 -0.61 0.02 0.00 0.00 177.57 178.36 1ye1 h GLN 127 N 0.25 1.16 -0.42 1.57 4.15 0.19 -2.24 115.11 119.77 1ye1 h GLN 127 Ca -0.21 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.19 1ye1 h GLN 127 Cb 1.99 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 29.37 1ye1 h GLN 127 CO 0.25 0.77 0.13 0.00 -1.93 0.00 0.00 178.83 178.06 1ye1 h ALA 128 N 1.32 0.48 -0.38 3.38 0.00 -1.13 0.38 119.26 123.31 1ye1 h ALA 128 Ca 0.32 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1ye1 h ALA 128 Cb -0.13 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ye1 h ALA 128 CO -0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 1ye1 h ALA 129 N 1.28 1.13 -0.11 0.00 0.00 -1.32 -2.57 119.26 117.67 1ye1 h ALA 129 Ca 0.20 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1ye1 h ALA 129 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ye1 h ALA 129 CO -0.21 0.55 -0.43 1.88 0.00 0.00 0.00 179.25 181.04 1ye1 h TYR 130 N 0.61 0.30 -0.40 0.00 0.05 -0.59 -2.10 116.97 114.84 1ye1 h TYR 130 Ca 0.11 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 1ye1 h TYR 130 Cb 0.51 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1ye1 h TYR 130 CO 0.02 0.65 -0.18 1.96 -1.05 0.00 0.00 178.16 179.56 1ye1 h GLN 131 N 0.21 0.75 -0.10 4.88 1.08 -0.08 0.42 115.11 122.28 1ye1 h GLN 131 Ca 0.02 -0.28 -0.12 0.00 -1.45 0.00 0.00 58.65 56.81 1ye1 h GLN 131 Cb 0.85 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 1ye1 h GLN 131 CO 0.07 0.88 -0.49 0.87 -0.95 0.00 0.00 178.83 179.21 1ye1 h LYS 132 N 0.67 0.26 -0.05 1.46 1.57 -1.05 -1.99 116.57 117.44 1ye1 h LYS 132 Ca 0.10 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1ye1 h LYS 132 Cb 0.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1ye1 h LYS 132 CO 0.05 0.69 -0.21 0.28 -0.57 0.00 0.00 179.45 179.70 1ye1 h VAL 133 N 0.21 1.46 -0.89 0.50 2.07 -0.94 -1.69 116.25 116.97 1ye1 h VAL 133 Ca 0.01 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1ye1 h VAL 133 Cb 0.94 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 1ye1 h VAL 133 CO 0.08 0.46 0.53 -0.37 0.02 0.00 0.00 177.57 178.29 1ye1 h VAL 134 N -0.33 1.25 -0.16 2.57 -1.51 -0.94 0.40 116.25 117.53 1ye1 h VAL 134 Ca -0.01 -0.54 -0.01 0.00 -1.23 0.00 0.00 66.70 64.90 1ye1 h VAL 134 Cb 0.86 -0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1ye1 h VAL 134 CO 0.04 0.26 0.06 0.00 -1.23 0.00 0.00 177.57 176.70 1ye1 h ALA 135 N 1.29 0.21 -0.45 5.19 0.00 -1.39 -2.18 119.26 121.93 1ye1 h ALA 135 Ca 0.32 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1ye1 h ALA 135 Cb -0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1ye1 h ALA 135 CO -0.06 -0.18 0.11 0.78 0.00 0.00 0.00 179.25 179.90 1ye1 h GLY 136 N 0.09 0.56 0.92 0.00 0.00 -0.89 -0.93 103.07 102.81 1ye1 h GLY 136 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1ye1 h GLY 136 CO -0.00 -0.03 0.09 -2.08 0.00 0.00 0.00 176.54 174.52 1ye1 h VAL 137 N 0.26 1.00 -0.70 4.60 2.07 0.07 -1.28 116.25 122.26 1ye1 h VAL 137 Ca 0.22 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.73 1ye1 h VAL 137 Cb 0.26 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1ye1 h VAL 137 CO -0.27 0.03 0.41 0.00 0.02 0.00 0.00 177.57 177.77 1ye1 h ALA 138 N 1.09 0.94 -0.34 1.67 0.00 -1.00 0.31 119.26 121.93 1ye1 h ALA 138 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ye1 h ALA 138 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ye1 h ALA 138 CO -0.05 0.11 0.08 -0.91 0.00 0.00 0.00 179.25 178.48 1ye1 h ASN 139 N 0.76 0.53 -0.16 0.00 2.35 -1.01 -2.00 115.58 116.06 1ye1 h ASN 139 Ca 0.31 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1ye1 h ASN 139 Cb 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1ye1 h ASN 139 CO -0.17 0.63 0.09 0.00 -1.65 0.00 0.00 177.43 176.33 1ye1 h ALA 140 N 0.92 0.19 0.00 -0.83 0.00 -0.56 -1.38 119.26 117.59 1ye1 h ALA 140 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ye1 h ALA 140 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ye1 h ALA 140 CO 0.00 -0.34 -0.07 -0.07 0.00 0.00 0.00 179.25 178.77 1ye1 h LEU 141 N 0.19 0.00 0.00 0.00 3.38 -0.82 -2.57 115.31 115.49 1ye1 h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ye1 h LEU 141 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ye1 h LEU 141 CO -0.03 0.07 -0.93 0.00 0.09 0.00 0.00 178.44 177.64 1ye1 n ALA 142 N -2.27 3.53 -0.27 1.53 0.00 -0.76 -4.35 120.51 117.91 1ye1 n ALA 142 Ca -0.02 -0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.08 1ye1 n ALA 142 Cb 0.18 -0.98 0.21 0.00 0.00 0.00 0.00 19.45 18.86 1ye1 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ye1 h HIS 143 N 0.00 0.54 -0.15 0.00 6.17 -0.84 -2.28 115.15 118.60 1ye1 h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1ye1 h HIS 143 Cb 0.68 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1ye1 h HIS 143 CO 0.00 0.05 0.00 1.63 0.71 0.00 0.00 177.93 180.32 1ye1 n LYS 144 N -5.01 1.56 -2.19 5.26 4.76 -1.26 -4.92 118.16 116.37 1ye1 n LYS 144 Ca 0.16 -0.85 -0.39 0.00 -2.87 0.00 0.00 58.31 54.35 1ye1 n LYS 144 Cb 0.46 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 1ye1 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ye1 s TYR 145 N -1.81 3.03 0.00 2.13 2.02 -0.86 -4.79 117.35 117.07 1ye1 s TYR 145 Ca 0.29 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 1ye1 s TYR 145 Cb 0.15 -3.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.17 1ye1 s TYR 145 CO 0.23 -1.63 0.00 -2.39 -1.57 0.00 0.00 175.55 170.18