#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeu n HIS 2 N 0.00 0.10 -3.72 2.03 -0.00 -1.26 -4.82 115.22 107.55 1yeu n HIS 2 Ca 0.00 -0.46 -0.36 0.00 -0.00 0.00 0.00 57.72 56.90 1yeu n HIS 2 Cb 0.00 -0.95 -0.09 0.00 -0.00 0.00 0.00 29.99 28.94 1yeu n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yeu s LEU 3 N 1.95 4.07 0.74 0.27 1.43 -1.26 -5.07 118.68 120.80 1yeu s LEU 3 Ca 0.70 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 1yeu s LEU 3 Cb 0.13 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1yeu s LEU 3 CO 0.33 0.10 1.18 -0.89 0.23 0.00 0.00 176.35 177.30 1yeu s THR 4 N 0.86 2.46 0.28 5.49 2.01 -1.26 -4.77 115.64 120.70 1yeu s THR 4 Ca 0.07 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1yeu s THR 4 Cb -0.13 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.74 1yeu s THR 4 CO 0.03 -0.13 1.73 -0.65 -0.69 0.00 0.00 174.62 174.91 1yeu h PRO 5 N -0.42 0.56 0.00 4.92 0.11 -1.99 0.11 132.00 135.29 1yeu h PRO 5 Ca -0.47 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1yeu h PRO 5 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1yeu h PRO 5 CO 0.50 0.72 0.00 1.05 -0.21 0.00 0.00 178.00 180.06 1yeu h GLU 6 N 0.50 0.00 0.05 1.05 9.09 -1.99 -2.04 114.58 121.24 1yeu h GLU 6 Ca 0.08 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.38 1yeu h GLU 6 Cb 0.62 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.73 1yeu h GLU 6 CO 0.04 0.00 -0.45 0.93 0.05 0.00 0.00 179.01 179.58 1yeu h GLU 7 N 0.00 0.21 -0.57 1.06 5.08 -1.19 -2.55 114.58 116.63 1yeu h GLU 7 Ca 0.00 -0.30 0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1yeu h GLU 7 Cb 0.48 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1yeu h GLU 7 CO 0.00 1.08 0.39 0.87 -1.00 0.00 0.00 179.01 180.35 1yeu h LYS 8 N -0.51 0.35 0.02 2.33 1.57 -0.97 -0.98 116.57 118.38 1yeu h LYS 8 Ca -0.07 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 1yeu h LYS 8 Cb 1.28 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1yeu h LYS 8 CO 0.09 0.23 -0.94 1.03 -0.57 0.00 0.00 179.45 179.29 1yeu h SER 9 N 0.36 0.24 -0.11 0.86 0.87 -1.39 -1.22 113.55 113.16 1yeu h SER 9 Ca 0.27 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1yeu h SER 9 Cb 0.57 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1yeu h SER 9 CO -0.07 1.05 -0.19 0.00 -0.53 0.00 0.00 176.83 177.09 1yeu h ALA 10 N 0.93 0.17 0.02 6.23 0.00 -0.78 -2.56 119.26 123.27 1yeu h ALA 10 Ca -0.05 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1yeu h ALA 10 Cb 1.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1yeu h ALA 10 CO 0.14 0.10 -0.25 0.28 0.00 0.00 0.00 179.25 179.52 1yeu h VAL 11 N -0.10 0.44 0.07 0.00 2.07 -1.24 -2.96 116.25 114.52 1yeu h VAL 11 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1yeu h VAL 11 Cb 0.76 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1yeu h VAL 11 CO 0.04 0.00 -0.32 0.74 0.02 0.00 0.00 177.57 178.05 1yeu h THR 12 N -0.39 0.31 -1.00 2.57 2.02 -1.25 -2.08 112.91 113.09 1yeu h THR 12 Ca 0.06 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.37 1yeu h THR 12 Cb 0.47 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 1yeu h THR 12 CO -0.21 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.31 1yeu h ALA 13 N 0.17 1.56 0.02 6.16 0.00 -1.50 -1.80 119.26 123.88 1yeu h ALA 13 Ca 0.04 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1yeu h ALA 13 Cb 0.57 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1yeu h ALA 13 CO -0.22 0.18 -1.01 1.25 0.00 0.00 0.00 179.25 179.45 1yeu h LEU 14 N 0.96 0.63 -0.89 0.00 5.85 -1.32 -3.22 115.31 117.32 1yeu h LEU 14 Ca 0.50 -0.52 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1yeu h LEU 14 Cb 0.54 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1yeu h LEU 14 CO -0.27 1.33 0.11 -0.25 -0.34 0.00 0.00 178.44 179.02 1yeu h TRP 15 N 0.26 0.97 0.00 1.25 2.91 -0.89 -1.04 115.95 119.41 1yeu h TRP 15 Ca -0.10 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1yeu h TRP 15 Cb 1.66 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 30.03 1yeu h TRP 15 CO 0.07 0.82 0.14 0.78 -1.03 0.00 0.00 178.44 179.22 1yeu h GLY 16 N 1.01 0.00 -1.63 2.65 0.00 -1.35 -0.47 103.07 103.28 1yeu h GLY 16 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1yeu h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1yeu n LYS 17 N -2.29 2.35 -2.86 4.80 5.02 -0.40 -4.97 118.16 119.81 1yeu n LYS 17 Ca -0.01 -2.03 -0.41 0.00 -2.02 0.00 0.00 58.31 53.84 1yeu n LYS 17 Cb 0.17 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1yeu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yeu s VAL 18 N -1.09 4.90 -0.67 -0.18 1.01 -0.19 -4.98 120.40 119.21 1yeu s VAL 18 Ca 0.28 1.80 -0.25 0.00 0.00 0.00 0.00 61.98 63.81 1yeu s VAL 18 Cb 0.16 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1yeu s VAL 18 CO 0.21 0.22 1.10 0.21 0.00 0.00 0.00 175.10 176.84 1yeu s ASN 19 N 0.79 6.21 0.17 3.32 3.84 -1.26 -4.93 114.94 123.08 1yeu s ASN 19 Ca 0.45 -0.63 -0.14 0.00 0.21 0.00 0.00 52.86 52.76 1yeu s ASN 19 Cb -0.20 -2.48 0.10 0.00 -0.55 0.00 0.00 41.25 38.12 1yeu s ASN 19 CO 0.24 -1.57 1.80 0.58 -2.79 0.00 0.00 177.10 175.36 1yeu h VAL 20 N 6.01 1.01 -0.69 -5.21 2.07 -1.96 -2.03 116.25 115.45 1yeu h VAL 20 Ca -0.28 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.19 1yeu h VAL 20 Cb 1.06 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.16 1yeu h VAL 20 CO 1.21 0.10 0.20 0.44 0.02 0.00 0.00 177.57 179.53 1yeu h ASP 21 N 0.54 0.09 0.12 0.57 5.19 -1.96 -0.27 116.42 120.70 1yeu h ASP 21 Ca 0.20 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 1yeu h ASP 21 Cb 0.06 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1yeu h ASP 21 CO -0.11 0.02 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.64 1yeu h GLU 22 N 0.32 -0.15 -0.75 3.56 5.08 -1.93 -3.05 114.58 117.66 1yeu h GLU 22 Ca 0.38 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1yeu h GLU 22 Cb 0.60 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1yeu h GLU 22 CO -0.44 0.33 0.32 0.28 -1.00 0.00 0.00 179.01 178.49 1yeu h VAL 23 N -0.78 1.25 -0.26 3.13 2.07 -1.23 -0.54 116.25 119.89 1yeu h VAL 23 Ca -0.02 -0.75 -0.19 0.00 0.82 0.00 0.00 66.70 66.57 1yeu h VAL 23 Cb 0.55 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1yeu h VAL 23 CO 0.03 0.31 -0.58 1.23 0.02 0.00 0.00 177.57 178.57 1yeu h GLY 24 N 1.12 0.91 1.25 2.17 0.00 -1.14 0.65 103.07 108.03 1yeu h GLY 24 Ca 0.25 -1.10 -0.21 0.00 0.00 0.00 0.00 47.33 46.28 1yeu h GLY 24 CO -0.03 0.98 -0.71 -1.33 0.00 0.00 0.00 176.54 175.46 1yeu h GLY 25 N 0.72 0.82 0.97 4.60 0.00 -1.41 -2.49 103.07 106.28 1yeu h GLY 25 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.18 1yeu h GLY 25 CO 0.13 0.98 0.06 -2.09 0.00 0.00 0.00 176.54 175.62 1yeu h GLU 26 N 0.53 0.76 -0.23 4.80 4.81 -0.90 0.22 114.58 124.57 1yeu h GLU 26 Ca -0.03 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1yeu h GLU 26 Cb 1.32 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1yeu h GLU 26 CO 0.14 0.78 0.03 0.00 -0.73 0.00 0.00 179.01 179.24 1yeu h ALA 27 N 0.94 0.31 -0.52 2.92 0.00 -0.86 0.12 119.26 122.17 1yeu h ALA 27 Ca 0.14 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1yeu h ALA 27 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1yeu h ALA 27 CO 0.01 -0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.35 1yeu h LEU 28 N 0.19 1.04 -0.22 0.00 5.85 -1.45 -1.53 115.31 119.19 1yeu h LEU 28 Ca 0.07 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1yeu h LEU 28 Cb 0.34 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1yeu h LEU 28 CO 0.01 1.18 0.08 1.23 -0.34 0.00 0.00 178.44 180.60 1yeu h GLY 29 N 0.90 0.28 1.96 3.75 0.00 -0.26 -2.58 103.07 107.11 1yeu h GLY 29 Ca 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1yeu h GLY 29 CO 0.06 0.04 -0.31 3.21 0.00 0.00 0.00 176.54 179.53 1yeu h ARG 30 N 0.19 0.05 -0.41 4.80 3.08 -0.59 -2.64 114.38 118.86 1yeu h ARG 30 Ca 0.09 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1yeu h ARG 30 Cb 0.05 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1yeu h ARG 30 CO -0.09 0.37 0.21 1.25 -1.07 0.00 0.00 179.97 180.63 1yeu h LEU 31 N 0.05 0.31 -0.28 3.04 5.85 -0.87 0.10 115.31 123.52 1yeu h LEU 31 Ca 0.00 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1yeu h LEU 31 Cb 0.58 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1yeu h LEU 31 CO 0.04 0.22 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.99 1yeu h LEU 32 N 0.42 0.00 0.02 2.25 3.38 -1.39 0.16 115.31 120.16 1yeu h LEU 32 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1yeu h LEU 32 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1yeu h LEU 32 CO -0.12 0.31 -0.23 0.58 0.09 0.00 0.00 178.44 179.07 1yeu h VAL 33 N 0.00 1.68 0.00 1.22 2.07 -1.34 -3.16 116.25 116.73 1yeu h VAL 33 Ca -0.00 -2.37 -0.14 0.00 0.82 0.00 0.00 66.70 65.00 1yeu h VAL 33 Cb 1.14 3.28 -0.02 0.00 -1.52 0.00 0.00 31.29 34.17 1yeu h VAL 33 CO 0.04 0.61 -0.69 0.58 0.02 0.00 0.00 177.57 178.13 1yeu h VAL 34 N -0.89 1.38 -2.19 2.57 2.07 -1.00 -3.35 116.25 114.85 1yeu h VAL 34 Ca -0.05 -2.45 -0.58 0.00 0.82 0.00 0.00 66.70 64.44 1yeu h VAL 34 Cb 1.13 2.36 -0.41 0.00 -1.52 0.00 0.00 31.29 32.86 1yeu h VAL 34 CO 0.01 0.67 -0.82 -1.22 0.02 0.00 0.00 177.57 176.24 1yeu n TYR 35 N -3.56 1.76 0.16 1.57 4.01 0.55 -4.97 117.16 116.68 1yeu n TYR 35 Ca -0.00 -3.88 0.17 0.00 -0.16 0.00 0.00 57.90 54.03 1yeu n TYR 35 Cb 0.71 -0.43 0.61 0.00 -0.31 0.00 0.00 39.34 39.93 1yeu n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yeu h PRO 36 N 4.27 0.00 -0.28 -0.72 0.11 -1.70 -0.13 132.00 133.55 1yeu h PRO 36 Ca 0.15 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.29 1yeu h PRO 36 Cb 0.77 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 1yeu h PRO 36 CO 0.65 0.00 -0.23 0.78 -0.21 0.00 0.00 178.00 178.99 1yeu h GLY 37 N 0.00 -1.79 0.73 -0.55 0.00 -1.91 -0.13 103.07 99.42 1yeu h GLY 37 Ca 0.15 0.91 0.00 0.00 0.00 0.00 0.00 47.33 48.39 1yeu h GLY 37 CO -0.00 -0.56 0.44 -1.30 0.00 0.00 0.00 176.54 175.12 1yeu n THR 38 N -3.83 0.44 0.23 4.70 -2.24 -0.06 -0.90 114.28 112.63 1yeu n THR 38 Ca -0.00 0.70 0.14 0.00 -2.27 0.00 0.00 64.05 62.61 1yeu n THR 38 Cb 0.12 -1.70 0.79 0.00 -2.10 0.00 0.00 70.33 67.44 1yeu n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1yeu h GLN 39 N 0.00 0.00 -0.25 -0.78 4.20 -1.19 -3.03 115.11 114.05 1yeu h GLN 39 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1yeu h GLN 39 Cb 0.88 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1yeu h GLN 39 CO 0.00 0.00 0.19 0.07 -0.67 0.00 0.00 178.83 178.42 1yeu h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.21 -2.17 114.38 112.57 1yeu h ARG 40 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1yeu h ARG 40 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1yeu h ARG 40 CO -0.00 0.00 -0.22 0.74 0.10 0.00 0.00 179.97 180.59 1yeu h PHE 41 N 0.00 0.00 -0.38 4.08 0.04 -1.80 -3.34 116.94 115.54 1yeu h PHE 41 Ca 0.12 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.75 1yeu h PHE 41 Cb 0.50 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.57 1yeu h PHE 41 CO 0.00 0.00 0.02 1.19 -0.60 0.00 0.00 178.31 178.92 1yeu n PHE 42 N -2.48 1.24 -0.26 -0.55 3.72 -0.82 -4.74 117.46 113.57 1yeu n PHE 42 Ca 0.04 -1.34 0.12 0.00 -0.05 0.00 0.00 57.45 56.22 1yeu n PHE 42 Cb 0.47 -0.47 0.38 0.00 -0.94 0.00 0.00 39.48 38.92 1yeu n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yeu h GLU 43 N 1.36 0.66 0.00 -1.08 5.08 -1.69 0.16 114.58 119.07 1yeu h GLU 43 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1yeu h GLU 43 Cb 1.70 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1yeu h GLU 43 CO 0.40 0.44 0.00 -1.13 -1.00 0.00 0.00 179.01 177.72 1yeu n SER 44 N -4.55 0.15 0.08 1.42 3.41 -1.26 -2.54 113.62 110.32 1yeu n SER 44 Ca 0.17 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1yeu n SER 44 Cb 0.46 -0.58 0.26 0.00 -0.26 0.00 0.00 64.21 64.08 1yeu n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1yeu h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.07 -3.50 116.94 118.70 1yeu h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1yeu h PHE 45 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1yeu h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1yeu n GLY 46 N 1.31 0.48 3.59 -1.45 0.00 -1.05 -4.79 105.19 103.28 1yeu n GLY 46 Ca 0.04 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1yeu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yeu s ASP 47 N -4.00 6.16 -0.23 1.61 2.15 -1.26 -4.83 116.67 116.27 1yeu s ASP 47 Ca 0.00 0.54 0.12 0.00 0.43 0.00 0.00 52.55 53.64 1yeu s ASP 47 Cb 0.00 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.53 1yeu s ASP 47 CO 0.00 -1.63 1.33 0.18 -0.17 0.00 0.00 175.17 174.88 1yeu n LEU 48 N 9.44 3.34 -0.25 -1.34 4.77 -1.26 -4.36 117.00 127.35 1yeu n LEU 48 Ca 0.15 -3.67 0.06 0.00 -0.03 0.00 0.00 56.01 52.52 1yeu n LEU 48 Cb 0.49 -0.56 0.31 0.00 -2.33 0.00 0.00 43.42 41.33 1yeu n LEU 48 CO 0.71 1.20 1.23 0.77 -1.33 0.00 0.00 177.39 179.96 1yeu h SER 49 N 0.94 0.76 -5.11 -1.43 4.64 -1.94 -3.45 113.55 107.96 1yeu h SER 49 Ca 0.09 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1yeu h SER 49 Cb 1.31 -0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 1yeu h SER 49 CO 0.18 0.47 -0.46 0.42 -0.87 0.00 0.00 176.83 176.57 1yeu s THR 50 N -5.77 0.13 0.20 2.95 -4.23 -1.26 -5.04 115.64 102.62 1yeu s THR 50 Ca -0.10 -1.10 -0.20 0.00 -1.18 0.00 0.00 61.69 59.11 1yeu s THR 50 Cb 0.20 -1.04 0.15 0.00 1.34 0.00 0.00 72.50 73.15 1yeu s THR 50 CO 0.79 -0.61 1.58 -0.65 -0.54 0.00 0.00 174.62 175.19 1yeu h PRO 51 N 3.35 -0.12 -0.31 3.99 0.11 -1.98 0.45 132.00 137.50 1yeu h PRO 51 Ca -0.33 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1yeu h PRO 51 Cb 1.19 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1yeu h PRO 51 CO 0.52 -0.08 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.76 1yeu h ASP 52 N -0.13 0.46 -0.79 -2.05 3.32 -1.98 -0.67 116.42 114.59 1yeu h ASP 52 Ca 0.26 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1yeu h ASP 52 Cb 0.56 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1yeu h ASP 52 CO -0.73 0.55 0.31 0.00 -1.72 0.00 0.00 179.24 177.65 1yeu h ALA 53 N 1.51 1.03 -0.15 3.45 0.00 -1.36 -2.45 119.26 121.27 1yeu h ALA 53 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1yeu h ALA 53 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yeu h ALA 53 CO 0.01 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.12 1yeu h VAL 54 N 1.15 1.31 0.00 0.00 2.07 0.26 -2.46 116.25 118.58 1yeu h VAL 54 Ca 0.26 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1yeu h VAL 54 Cb 0.22 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1yeu h VAL 54 CO -0.02 0.33 0.00 0.23 0.02 0.00 0.00 177.57 178.13 1yeu n MET 55 N -4.63 0.02 0.00 1.57 2.81 -0.38 -2.64 117.12 113.88 1yeu n MET 55 Ca -0.06 0.10 0.11 0.00 -1.81 0.00 0.00 57.70 56.04 1yeu n MET 55 Cb 0.30 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.22 1yeu n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1yeu n GLY 56 N 0.87 -1.05 3.63 3.03 0.00 -0.93 -4.96 105.19 105.78 1yeu n GLY 56 Ca 0.06 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1yeu n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yeu s ASN 57 N -3.70 6.15 0.17 1.61 3.84 -0.94 -4.86 114.94 117.21 1yeu s ASN 57 Ca 0.02 2.04 0.17 0.00 0.21 0.00 0.00 52.86 55.31 1yeu s ASN 57 Cb 0.15 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 39.11 1yeu s ASN 57 CO 0.86 -1.38 1.54 -0.81 -2.79 0.00 0.00 177.10 174.52 1yeu n PRO 58 N 7.91 0.11 0.07 0.43 -0.04 -1.26 -1.01 135.00 141.21 1yeu n PRO 58 Ca 0.22 0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 63.91 1yeu n PRO 58 Cb 0.44 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.01 1yeu n PRO 58 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1yeu h LYS 59 N 0.00 0.34 -0.59 0.54 1.57 -1.89 -2.83 116.57 113.72 1yeu h LYS 59 Ca 0.00 -0.58 0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1yeu h LYS 59 Cb 0.21 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1yeu h LYS 59 CO 0.00 1.23 0.39 0.28 -0.57 0.00 0.00 179.45 180.78 1yeu h VAL 60 N 0.09 1.14 -0.81 0.50 2.07 -1.65 -2.21 116.25 115.38 1yeu h VAL 60 Ca -0.30 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1yeu h VAL 60 Cb 2.07 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1yeu h VAL 60 CO 0.18 0.14 0.38 0.11 0.02 0.00 0.00 177.57 178.40 1yeu h LYS 61 N 0.79 1.18 -0.09 1.57 1.57 -1.11 -1.83 116.57 118.65 1yeu h LYS 61 Ca 0.22 -0.18 -0.24 0.00 -1.87 0.00 0.00 60.65 58.57 1yeu h LYS 61 Cb -0.08 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.03 1yeu h LYS 61 CO -0.05 0.92 -0.90 0.00 -0.57 0.00 0.00 179.45 178.85 1yeu h ALA 62 N 1.20 0.23 -0.38 3.86 0.00 -1.38 -2.87 119.26 119.91 1yeu h ALA 62 Ca 0.28 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1yeu h ALA 62 Cb 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1yeu h ALA 62 CO -0.03 0.69 -0.20 1.25 0.00 0.00 0.00 179.25 180.96 1yeu h HIS 63 N 0.48 0.83 -0.40 0.00 -0.00 -1.35 -2.37 115.15 112.34 1yeu h HIS 63 Ca -0.09 -0.18 0.06 0.00 -0.00 0.00 0.00 60.37 60.17 1yeu h HIS 63 Cb 1.54 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.69 1yeu h HIS 63 CO 0.09 0.88 0.08 0.78 -0.00 0.00 0.00 177.93 179.76 1yeu h GLY 64 N 0.97 0.48 0.54 5.26 0.00 -1.26 0.52 103.07 109.58 1yeu h GLY 64 Ca 0.10 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.49 1yeu h GLY 64 CO 0.05 -0.04 0.44 1.70 0.00 0.00 0.00 176.54 178.69 1yeu h LYS 65 N 0.21 0.73 -0.46 4.80 3.64 -1.31 0.15 116.57 124.32 1yeu h LYS 65 Ca 0.20 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1yeu h LYS 65 Cb 0.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1yeu h LYS 65 CO -0.26 0.48 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.14 1yeu h LYS 66 N 0.75 0.79 -0.22 1.90 3.64 -0.76 0.25 116.57 122.92 1yeu h LYS 66 Ca 0.38 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1yeu h LYS 66 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1yeu h LYS 66 CO -0.24 0.83 -0.10 0.28 -2.27 0.00 0.00 179.45 177.95 1yeu h VAL 67 N 0.73 1.30 0.00 2.00 2.07 0.61 -2.17 116.25 120.80 1yeu h VAL 67 Ca 0.14 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1yeu h VAL 67 Cb 0.50 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1yeu h VAL 67 CO 0.03 0.35 -0.12 -0.07 0.02 0.00 0.00 177.57 177.78 1yeu h LEU 68 N 0.17 0.00 -0.92 2.57 4.07 -0.43 -1.84 115.31 118.93 1yeu h LEU 68 Ca 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 1yeu h LEU 68 Cb 0.58 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1yeu h LEU 68 CO 0.03 0.12 0.13 1.23 -1.08 0.00 0.00 178.44 178.88 1yeu h GLY 69 N 0.70 0.99 1.92 0.83 0.00 0.13 -1.65 103.07 105.99 1yeu h GLY 69 Ca -0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.57 1yeu h GLY 69 CO 0.02 0.56 -0.77 0.00 0.00 0.00 0.00 176.54 176.34 1yeu h ALA 70 N 1.26 0.71 -0.48 3.60 0.00 -1.01 -2.57 119.26 120.78 1yeu h ALA 70 Ca 0.19 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1yeu h ALA 70 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1yeu h ALA 70 CO 0.00 0.91 -0.12 0.35 0.00 0.00 0.00 179.25 180.39 1yeu h PHE 71 N 0.04 0.98 -0.85 0.00 3.04 -0.92 -2.54 116.94 116.69 1yeu h PHE 71 Ca -0.02 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1yeu h PHE 71 Cb 1.35 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.58 1yeu h PHE 71 CO 0.01 0.94 0.54 0.77 -2.02 0.00 0.00 178.31 178.55 1yeu h SER 72 N 0.79 1.00 -0.49 0.41 0.02 -1.09 -2.19 113.55 112.01 1yeu h SER 72 Ca 0.13 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1yeu h SER 72 Cb 0.64 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1yeu h SER 72 CO 0.04 0.75 0.04 0.44 -1.14 0.00 0.00 176.83 176.96 1yeu h ASP 73 N 1.17 0.86 0.84 3.07 5.19 -1.12 -2.13 116.42 124.30 1yeu h ASP 73 Ca 0.31 -0.21 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1yeu h ASP 73 Cb -0.09 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 1yeu h ASP 73 CO -0.06 0.90 -0.33 1.23 -3.12 0.00 0.00 179.24 177.85 1yeu h GLY 74 N 1.00 0.00 1.63 2.75 0.00 -1.03 -2.61 103.07 104.82 1yeu h GLY 74 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.32 1yeu h GLY 74 CO 0.02 0.00 -0.68 1.41 0.00 0.00 0.00 176.54 177.29 1yeu h LEU 75 N 0.00 0.43 0.00 3.11 3.38 -1.07 -1.84 115.31 119.32 1yeu h LEU 75 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yeu h LEU 75 Cb 0.84 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1yeu h LEU 75 CO 0.04 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.55 1yeu n ALA 76 N -2.50 2.54 -2.58 1.53 0.00 -0.83 -3.77 120.51 114.90 1yeu n ALA 76 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 1yeu n ALA 76 Cb 0.67 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.69 1yeu n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeu n HIS 77 N -1.10 1.14 0.34 0.00 8.25 -0.78 -4.95 115.22 118.11 1yeu n HIS 77 Ca 0.19 -1.76 0.22 0.00 -0.26 0.00 0.00 57.72 56.11 1yeu n HIS 77 Cb 0.15 -0.23 1.15 0.00 1.12 0.00 0.00 29.99 32.18 1yeu n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yeu h LEU 78 N 2.11 0.00 0.00 2.41 3.38 -1.45 0.62 115.31 122.38 1yeu h LEU 78 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1yeu h LEU 78 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1yeu h LEU 78 CO 0.24 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 179.20 1yeu h ASP 79 N 0.00 0.00 -1.78 -0.43 3.32 -1.92 -3.22 116.42 112.39 1yeu h ASP 79 Ca 0.00 -0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1yeu h ASP 79 Cb 0.12 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.27 1yeu h ASP 79 CO -0.00 0.00 -1.09 -3.20 -1.72 0.00 0.00 179.24 173.23 1yeu n ASN 80 N -3.08 1.73 -0.13 6.45 5.15 0.21 -4.60 115.26 120.98 1yeu n ASN 80 Ca 0.04 -3.08 -0.02 0.00 -0.60 0.00 0.00 54.58 50.92 1yeu n ASN 80 Cb 0.53 -0.58 0.21 0.00 -0.53 0.00 0.00 39.78 39.40 1yeu n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yeu h LEU 81 N 2.97 0.77 -0.90 1.20 3.38 -1.71 -1.45 115.31 119.57 1yeu h LEU 81 Ca 0.07 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1yeu h LEU 81 Cb 0.95 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1yeu h LEU 81 CO 0.57 0.73 0.56 0.11 0.09 0.00 0.00 178.44 180.50 1yeu h LYS 82 N 0.81 0.99 0.01 1.13 6.56 -1.91 -0.36 116.57 123.81 1yeu h LYS 82 Ca 0.19 -0.06 -0.20 0.00 -1.06 0.00 0.00 60.65 59.52 1yeu h LYS 82 Cb 0.23 -0.22 -0.03 0.00 -0.57 0.00 0.00 32.23 31.64 1yeu h LYS 82 CO -0.01 0.66 -0.94 0.78 -2.06 0.00 0.00 179.45 177.88 1yeu h GLY 83 N 1.02 0.03 1.61 3.86 0.00 -1.91 -2.70 103.07 104.98 1yeu h GLY 83 Ca 0.39 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 1yeu h GLY 83 CO -0.18 0.06 -0.36 -0.84 0.00 0.00 0.00 176.54 175.22 1yeu h THR 84 N 0.01 1.29 -0.19 4.70 2.02 -0.55 -3.27 112.91 116.93 1yeu h THR 84 Ca -0.02 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1yeu h THR 84 Cb 1.64 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1yeu h THR 84 CO 0.12 0.46 0.00 0.49 0.37 0.00 0.00 175.52 176.96 1yeu n PHE 85 N -4.05 0.24 -0.18 3.16 3.72 -0.21 -4.74 117.46 115.39 1yeu n PHE 85 Ca -0.01 -0.20 -0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1yeu n PHE 85 Cb 0.47 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 39.09 1yeu n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yeu h ALA 86 N 2.68 0.59 -0.56 4.37 0.00 -1.53 0.12 119.26 124.94 1yeu h ALA 86 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1yeu h ALA 86 Cb 0.67 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1yeu h ALA 86 CO 0.00 -0.36 -0.08 1.79 0.00 0.00 0.00 179.25 180.60 1yeu h THR 87 N 0.17 1.27 -0.25 0.00 1.35 -1.85 -2.17 112.91 111.43 1yeu h THR 87 Ca 0.29 -1.24 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 1yeu h THR 87 Cb 0.45 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1yeu h THR 87 CO -0.44 0.44 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.11 1yeu h LEU 88 N 0.93 0.38 0.50 3.87 4.07 -1.59 -1.79 115.31 121.68 1yeu h LEU 88 Ca 0.15 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1yeu h LEU 88 Cb 0.65 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1yeu h LEU 88 CO 0.05 0.52 -0.24 -1.28 -1.08 0.00 0.00 178.44 176.40 1yeu h SER 89 N 0.38 -0.57 -0.92 -0.43 0.87 -0.36 -1.02 113.55 111.49 1yeu h SER 89 Ca 0.08 -0.07 0.20 0.00 -1.23 0.00 0.00 61.79 60.77 1yeu h SER 89 Cb 0.40 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 62.40 1yeu h SER 89 CO 0.02 -0.24 0.48 -0.33 -0.53 0.00 0.00 176.83 176.23 1yeu h GLU 90 N -0.91 0.54 -0.05 2.24 5.08 -1.35 -0.88 114.58 119.25 1yeu h GLU 90 Ca -0.07 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1yeu h GLU 90 Cb 0.60 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1yeu h GLU 90 CO 0.11 0.36 0.02 1.25 -1.00 0.00 0.00 179.01 179.75 1yeu h LEU 91 N 0.55 0.06 -1.77 1.33 5.85 -1.09 0.29 115.31 120.53 1yeu h LEU 91 Ca 0.55 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1yeu h LEU 91 Cb 0.96 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1yeu h LEU 91 CO -0.45 0.21 -0.16 0.45 -0.34 0.00 0.00 178.44 178.15 1yeu h HIS 92 N -0.09 0.00 0.00 1.25 3.86 -0.02 -1.68 115.15 118.48 1yeu h HIS 92 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1yeu h HIS 92 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1yeu h HIS 92 CO -0.02 0.16 -0.26 0.00 0.86 0.00 0.00 177.93 178.67 1yeu h ASP 94 N -0.70 0.79 0.01 0.00 3.32 -0.49 -3.13 116.42 116.23 1yeu h ASP 94 Ca 0.00 -0.40 -0.32 0.00 0.02 0.00 0.00 57.03 56.33 1yeu h ASP 94 Cb 0.26 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1yeu h ASP 94 CO 0.00 1.14 -1.78 0.29 -1.72 0.00 0.00 179.24 177.17 1yeu n LYS 95 N -4.01 0.60 0.07 3.56 4.01 -0.67 -4.68 118.16 117.05 1yeu n LYS 95 Ca -0.03 0.43 0.11 0.00 -0.51 0.00 0.00 58.31 58.31 1yeu n LYS 95 Cb 0.58 -1.66 0.01 0.00 -0.51 0.00 0.00 35.03 33.45 1yeu n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yeu n LEU 96 N -4.21 0.69 -3.57 -0.35 4.77 -1.00 -5.01 117.00 108.32 1yeu n LEU 96 Ca -0.39 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 55.61 1yeu n LEU 96 Cb 0.80 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.87 1yeu n LEU 96 CO 0.17 -0.11 0.01 1.41 -1.33 0.00 0.00 177.39 177.54 1yeu n HIS 97 N -2.44 -2.05 -3.31 -1.77 8.25 -0.87 -4.98 115.22 108.05 1yeu n HIS 97 Ca 0.00 0.87 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 1yeu n HIS 97 Cb 0.52 -4.64 -0.07 0.00 1.12 0.00 0.00 29.99 26.92 1yeu n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yeu s VAL 98 N -3.53 5.16 -0.03 1.59 1.01 -0.82 -5.04 120.40 118.74 1yeu s VAL 98 Ca 0.03 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1yeu s VAL 98 Cb -0.01 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1yeu s VAL 98 CO 0.78 0.23 1.67 -0.62 0.00 0.00 0.00 175.10 177.16 1yeu s ASP 99 N 1.01 6.65 0.45 3.32 -1.08 -1.26 -4.75 116.67 121.01 1yeu s ASP 99 Ca 0.22 2.29 0.27 0.00 -0.52 0.00 0.00 52.55 54.81 1yeu s ASP 99 Cb -0.15 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.24 1yeu s ASP 99 CO 0.09 -0.92 1.81 -0.65 0.52 0.00 0.00 175.17 176.02 1yeu h PRO 100 N 9.41 0.00 -0.18 4.34 0.11 -1.97 0.03 132.00 143.74 1yeu h PRO 100 Ca -0.40 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.76 1yeu h PRO 100 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1yeu h PRO 100 CO 0.95 0.00 0.15 0.93 -0.21 0.00 0.00 178.00 179.81 1yeu h GLU 101 N 0.00 0.00 0.00 1.05 4.39 -1.99 -0.20 114.58 117.83 1yeu h GLU 101 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1yeu h GLU 101 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1yeu h GLU 101 CO 0.00 0.00 -0.07 -0.91 -1.16 0.00 0.00 179.01 176.87 1yeu h ASN 102 N 0.00 0.00 -0.16 1.42 4.21 -1.36 -2.80 115.58 116.88 1yeu h ASN 102 Ca 0.09 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.52 1yeu h ASN 102 Cb 0.38 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 1yeu h ASN 102 CO -0.00 0.07 -0.15 -0.26 -1.29 0.00 0.00 177.43 175.80 1yeu h PHE 103 N 0.00 0.60 -0.45 1.19 0.04 -1.21 -2.60 116.94 114.51 1yeu h PHE 103 Ca -0.00 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 1yeu h PHE 103 Cb 0.41 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1yeu h PHE 103 CO 0.00 0.67 -0.01 0.00 -0.60 0.00 0.00 178.31 178.38 1yeu h ARG 104 N 0.50 0.74 -0.51 1.51 3.08 -1.62 -2.13 114.38 115.95 1yeu h ARG 104 Ca 0.09 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1yeu h ARG 104 Cb 0.55 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1yeu h ARG 104 CO 0.03 0.76 0.15 -0.07 -1.07 0.00 0.00 179.97 179.78 1yeu h LEU 105 N 0.69 0.75 -0.91 3.04 3.38 -1.54 -1.03 115.31 119.69 1yeu h LEU 105 Ca 0.14 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1yeu h LEU 105 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1yeu h LEU 105 CO 0.02 0.76 -0.35 0.25 0.09 0.00 0.00 178.44 179.22 1yeu h LEU 106 N 0.70 0.39 -0.43 1.67 5.85 -1.32 -1.08 115.31 121.09 1yeu h LEU 106 Ca 0.16 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1yeu h LEU 106 Cb 0.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1yeu h LEU 106 CO -0.00 0.71 -0.20 1.23 -0.34 0.00 0.00 178.44 179.84 1yeu h GLY 107 N 1.10 0.97 1.48 3.75 0.00 -0.86 0.14 103.07 109.66 1yeu h GLY 107 Ca 0.04 -0.87 -0.20 0.00 0.00 0.00 0.00 47.33 46.30 1yeu h GLY 107 CO 0.06 0.79 -0.80 3.43 0.00 0.00 0.00 176.54 180.02 1yeu h ASN 108 N 0.72 0.60 -0.52 0.19 2.35 -1.12 -1.07 115.58 116.73 1yeu h ASN 108 Ca 0.10 -0.42 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 1yeu h ASN 108 Cb 0.76 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1yeu h ASN 108 CO 0.06 1.19 0.14 0.58 -1.65 0.00 0.00 177.43 177.75 1yeu h VAL 109 N 0.32 1.24 -0.64 2.81 2.07 -1.03 -1.81 116.25 119.21 1yeu h VAL 109 Ca -0.05 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.71 1yeu h VAL 109 Cb 1.40 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1yeu h VAL 109 CO 0.14 0.30 0.34 0.25 0.02 0.00 0.00 177.57 178.63 1yeu h LEU 110 N 0.72 0.49 -0.89 2.57 5.85 -0.60 -1.44 115.31 122.01 1yeu h LEU 110 Ca 0.17 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1yeu h LEU 110 Cb 0.31 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1yeu h LEU 110 CO -0.00 0.31 0.40 0.58 -0.34 0.00 0.00 178.44 179.39 1yeu h VAL 111 N 0.63 1.26 0.00 1.05 2.07 -0.74 -2.42 116.25 118.10 1yeu h VAL 111 Ca 0.29 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1yeu h VAL 111 Cb 0.21 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1yeu h VAL 111 CO -0.20 0.31 -0.22 0.00 0.02 0.00 0.00 177.57 177.49 1yeu h VAL 113 N 0.00 1.34 -0.90 0.00 2.07 -0.98 -1.17 116.25 116.61 1yeu h VAL 113 Ca -0.00 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.26 1yeu h VAL 113 Cb 0.38 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1yeu h VAL 113 CO 0.03 0.38 0.58 -0.07 0.02 0.00 0.00 177.57 178.51 1yeu h LEU 114 N 0.04 0.95 -0.54 2.57 3.38 -1.32 -1.40 115.31 118.99 1yeu h LEU 114 Ca 0.03 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1yeu h LEU 114 Cb 0.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1yeu h LEU 114 CO 0.04 0.65 -0.20 0.00 0.09 0.00 0.00 178.44 179.02 1yeu h ALA 115 N 1.38 0.73 -0.95 1.53 0.00 -1.27 0.35 119.26 121.03 1yeu h ALA 115 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yeu h ALA 115 Cb 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1yeu h ALA 115 CO -0.13 0.67 0.60 1.25 0.00 0.00 0.00 179.25 181.64 1yeu h HIS 116 N 0.85 1.22 0.10 0.00 -0.00 -0.73 0.16 115.15 116.75 1yeu h HIS 116 Ca 0.11 0.01 -0.28 0.00 -0.00 0.00 0.00 60.37 60.21 1yeu h HIS 116 Cb 0.77 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1yeu h HIS 116 CO 0.05 0.80 -1.35 0.45 -0.00 0.00 0.00 177.93 177.88 1yeu h HIS 117 N 1.30 0.40 0.00 5.26 -0.00 -1.11 -3.38 115.15 117.62 1yeu h HIS 117 Ca 0.34 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1yeu h HIS 117 Cb -0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1yeu h HIS 117 CO 0.00 1.28 -0.95 1.19 -0.00 0.00 0.00 177.93 179.45 1yeu n PHE 118 N -3.46 0.00 0.00 2.45 3.72 0.10 -5.02 117.46 115.25 1yeu n PHE 118 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1yeu n PHE 118 Cb 1.02 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1yeu n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yeu n GLY 119 N 1.50 3.01 0.39 1.37 0.00 0.04 -2.03 105.19 109.47 1yeu n GLY 119 Ca 0.04 0.15 0.21 0.00 0.00 0.00 0.00 46.02 46.42 1yeu n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yeu h LYS 120 N 0.00 0.44 0.00 1.61 1.79 -1.95 0.02 116.57 118.48 1yeu h LYS 120 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1yeu h LYS 120 Cb 0.00 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1yeu h LYS 120 CO 0.00 0.29 0.00 -1.91 -1.08 0.00 0.00 179.45 176.75 1yeu n GLU 121 N -4.70 0.43 -2.96 3.15 2.13 -0.86 -3.81 120.64 114.01 1yeu n GLU 121 Ca 0.26 0.05 -0.42 0.00 0.66 0.00 0.00 57.16 57.71 1yeu n GLU 121 Cb 0.84 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 31.06 1yeu n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1yeu n PHE 122 N -1.22 2.32 -1.53 4.31 7.35 -0.01 -4.95 117.46 123.74 1yeu n PHE 122 Ca 0.13 -2.60 -0.30 0.00 -0.76 0.00 0.00 57.45 53.92 1yeu n PHE 122 Cb 0.16 -1.23 0.09 0.00 0.35 0.00 0.00 39.48 38.85 1yeu n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeu s THR 123 N -3.02 3.16 0.24 -2.13 -4.23 -1.25 -4.72 115.64 103.69 1yeu s THR 123 Ca 0.32 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1yeu s THR 123 Cb 0.07 -3.10 0.22 0.00 1.34 0.00 0.00 72.50 71.03 1yeu s THR 123 CO 0.07 -0.49 1.69 -0.65 -0.54 0.00 0.00 174.62 174.70 1yeu h PRO 124 N -1.07 0.27 -1.00 3.99 0.11 -1.95 -0.74 132.00 131.62 1yeu h PRO 124 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1yeu h PRO 124 Cb 1.26 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1yeu h PRO 124 CO 0.59 0.18 0.66 -1.35 -0.21 0.00 0.00 178.00 177.87 1yeu h PRO 125 N 0.28 1.28 -0.42 1.05 0.11 -2.00 -0.40 132.00 131.90 1yeu h PRO 125 Ca 0.40 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.37 1yeu h PRO 125 Cb 0.66 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1yeu h PRO 125 CO -0.48 0.85 0.04 0.28 -0.21 0.00 0.00 178.00 178.47 1yeu h VAL 126 N 1.32 1.25 -0.30 3.15 2.07 -1.58 -2.65 116.25 119.50 1yeu h VAL 126 Ca 0.38 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1yeu h VAL 126 Cb -0.09 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1yeu h VAL 126 CO -0.10 0.32 -0.04 -0.61 0.02 0.00 0.00 177.57 177.16 1yeu h GLN 127 N 0.56 0.03 -0.87 1.57 4.15 -0.63 -2.06 115.11 117.85 1yeu h GLN 127 Ca 0.12 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.57 1yeu h GLN 127 Cb 0.42 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 1yeu h GLN 127 CO 0.01 0.02 0.57 0.00 -1.93 0.00 0.00 178.83 177.51 1yeu h ALA 128 N 1.28 1.44 -0.46 3.38 0.00 -0.92 0.77 119.26 124.75 1yeu h ALA 128 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1yeu h ALA 128 Cb 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1yeu h ALA 128 CO -0.28 0.49 0.05 0.00 0.00 0.00 0.00 179.25 179.50 1yeu h ALA 129 N 1.48 0.62 -0.26 0.00 0.00 -1.15 -2.40 119.26 117.54 1yeu h ALA 129 Ca 0.34 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1yeu h ALA 129 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1yeu h ALA 129 CO -0.10 0.37 -0.13 1.88 0.00 0.00 0.00 179.25 181.28 1yeu h TYR 130 N 0.65 0.47 -0.54 0.00 0.05 -0.67 -1.97 116.97 114.95 1yeu h TYR 130 Ca 0.14 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1yeu h TYR 130 Cb 0.43 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 1yeu h TYR 130 CO 0.03 0.56 0.35 1.96 -1.05 0.00 0.00 178.16 180.01 1yeu h GLN 131 N 0.41 0.73 -0.64 4.88 1.08 -0.51 0.20 115.11 121.25 1yeu h GLN 131 Ca 0.08 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1yeu h GLN 131 Cb 0.47 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1yeu h GLN 131 CO 0.03 0.50 0.40 0.87 -0.95 0.00 0.00 178.83 179.68 1yeu h LYS 132 N 0.74 0.78 0.17 1.46 1.57 -1.09 -1.62 116.57 118.58 1yeu h LYS 132 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1yeu h LYS 132 Cb -0.05 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.08 1yeu h LYS 132 CO -0.04 0.51 -0.08 0.28 -0.57 0.00 0.00 179.45 179.55 1yeu h VAL 133 N 0.80 0.87 -0.18 0.50 2.07 -0.58 -2.22 116.25 117.51 1yeu h VAL 133 Ca 0.25 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1yeu h VAL 133 Cb -0.01 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1yeu h VAL 133 CO -0.09 0.04 0.08 0.58 0.02 0.00 0.00 177.57 178.20 1yeu h VAL 134 N -0.31 1.07 -0.03 2.57 2.07 -0.92 -0.49 116.25 120.22 1yeu h VAL 134 Ca -0.02 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.09 1yeu h VAL 134 Cb 0.24 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1yeu h VAL 134 CO 0.04 0.08 -0.82 0.00 0.02 0.00 0.00 177.57 176.89 1yeu h ALA 135 N 1.84 0.53 0.00 1.67 0.00 -1.16 -2.17 119.26 119.96 1yeu h ALA 135 Ca 0.07 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1yeu h ALA 135 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yeu h ALA 135 CO -0.01 0.82 -0.41 0.78 0.00 0.00 0.00 179.25 180.43 1yeu h GLY 136 N 1.47 0.00 0.48 0.00 0.00 -0.69 -0.58 103.07 103.76 1yeu h GLY 136 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1yeu h GLY 136 CO 0.14 0.00 -0.46 -2.08 0.00 0.00 0.00 176.54 174.13 1yeu h VAL 137 N 0.00 1.58 -0.55 4.60 2.07 -1.10 -1.75 116.25 121.10 1yeu h VAL 137 Ca -0.00 -2.30 0.08 0.00 0.82 0.00 0.00 66.70 65.30 1yeu h VAL 137 Cb 0.87 3.08 -0.07 0.00 -1.52 0.00 0.00 31.29 33.65 1yeu h VAL 137 CO 0.05 0.64 0.19 0.00 0.02 0.00 0.00 177.57 178.47 1yeu h ALA 138 N 0.13 0.69 -0.81 1.67 0.00 -1.19 0.13 119.26 119.89 1yeu h ALA 138 Ca -0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yeu h ALA 138 Cb 1.30 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1yeu h ALA 138 CO 0.09 -0.21 0.39 -0.91 0.00 0.00 0.00 179.25 178.61 1yeu h ASN 139 N 0.37 1.05 -0.39 0.00 -0.26 -1.13 -2.08 115.58 113.13 1yeu h ASN 139 Ca 0.27 -0.12 -0.09 0.00 -0.56 0.00 0.00 56.30 55.80 1yeu h ASN 139 Cb 0.32 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1yeu h ASN 139 CO -0.28 0.88 -0.12 0.00 -1.06 0.00 0.00 177.43 176.84 1yeu h ALA 140 N 1.28 0.54 0.00 -0.83 0.00 -0.62 -1.89 119.26 117.75 1yeu h ALA 140 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yeu h ALA 140 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yeu h ALA 140 CO -0.04 0.44 -0.01 -0.07 0.00 0.00 0.00 179.25 179.57 1yeu h LEU 141 N 0.59 0.00 0.00 0.00 3.38 -0.35 -2.92 115.31 116.01 1yeu h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yeu h LEU 141 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1yeu h LEU 141 CO 0.04 0.01 -1.00 0.00 0.09 0.00 0.00 178.44 177.58 1yeu n ALA 142 N -2.10 4.17 0.02 1.53 0.00 -0.82 -4.41 120.51 118.89 1yeu n ALA 142 Ca -0.02 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 52.98 1yeu n ALA 142 Cb 0.15 -0.86 0.49 0.00 0.00 0.00 0.00 19.45 19.23 1yeu n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yeu h HIS 143 N 0.00 0.39 -0.72 0.00 6.17 -1.16 -2.65 115.15 117.18 1yeu h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1yeu h HIS 143 Cb 0.58 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.38 1yeu h HIS 143 CO 0.00 0.23 0.00 1.63 0.71 0.00 0.00 177.93 180.50 1yeu n LYS 144 N -4.48 2.86 -2.02 5.26 4.76 -1.26 -4.93 118.16 118.34 1yeu n LYS 144 Ca 0.04 -2.67 -0.42 0.00 -2.87 0.00 0.00 58.31 52.39 1yeu n LYS 144 Cb 0.16 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1yeu n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yeu s TYR 145 N -1.15 3.05 0.00 2.13 1.51 -1.00 -4.74 117.35 117.16 1yeu s TYR 145 Ca 0.49 0.96 0.00 0.00 -1.01 0.00 0.00 57.07 57.51 1yeu s TYR 145 Cb 0.27 -3.82 0.00 0.00 -0.11 0.00 0.00 41.96 38.30 1yeu s TYR 145 CO 0.32 -2.75 0.00 -2.39 -1.11 0.00 0.00 175.55 169.62