#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6hbw s HIS 2 N 0.00 2.17 0.46 6.34 5.04 -1.26 -4.85 115.29 123.19 6hbw s HIS 2 Ca 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 55.06 53.48 6hbw s HIS 2 Cb 0.00 -4.49 -0.03 0.00 0.04 0.00 0.00 32.58 28.11 6hbw s HIS 2 CO 0.00 -2.06 0.74 -0.51 -2.34 0.00 0.00 174.74 170.57 6hbw s LEU 3 N 6.63 3.67 0.71 8.88 1.02 -1.26 -5.08 118.68 133.24 6hbw s LEU 3 Ca 0.47 0.78 -0.11 0.00 0.02 0.00 0.00 54.13 55.29 6hbw s LEU 3 Cb -0.07 -3.70 0.03 0.00 0.02 0.00 0.00 46.19 42.46 6hbw s LEU 3 CO 0.09 -0.58 1.08 0.42 0.02 0.00 0.00 176.35 177.39 6hbw s THR 4 N -2.67 3.20 0.40 5.49 -4.23 -1.26 -4.82 115.64 111.74 6hbw s THR 4 Ca 0.47 0.31 0.09 0.00 -1.18 0.00 0.00 61.69 61.38 6hbw s THR 4 Cb -0.10 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.67 6hbw s THR 4 CO 0.43 -0.47 1.98 -0.65 -0.54 0.00 0.00 174.62 175.37 6hbw h PRO 5 N -0.66 0.56 -0.09 3.99 0.11 -2.00 -0.24 132.00 133.67 6hbw h PRO 5 Ca -0.45 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 6hbw h PRO 5 Cb 1.27 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.26 6hbw h PRO 5 CO 0.64 0.37 -0.70 0.11 -0.21 0.00 0.00 178.00 178.21 6hbw h TRP 6 N 0.58 0.88 -0.83 0.65 0.09 -2.00 -2.96 115.95 112.36 6hbw h TRP 6 Ca 0.27 -0.41 0.00 0.00 0.09 0.00 0.00 58.89 58.84 6hbw h TRP 6 Cb 0.32 -0.12 -0.04 0.00 0.08 0.00 0.00 29.16 29.40 6hbw h TRP 6 CO -0.00 1.23 0.52 0.93 0.09 0.00 0.00 178.44 181.21 6hbw h GLU 7 N 0.27 1.11 -0.56 0.12 5.08 -1.70 -0.29 114.58 118.61 6hbw h GLU 7 Ca -0.06 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 6hbw h GLU 7 Cb 1.35 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 6hbw h GLU 7 CO 0.14 0.76 0.37 0.87 -1.00 0.00 0.00 179.01 180.15 6hbw h LYS 8 N 1.13 0.72 -0.06 2.33 1.57 -1.08 -0.87 116.57 120.31 6hbw h LYS 8 Ca 0.30 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.84 6hbw h LYS 8 Cb -0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 6hbw h LYS 8 CO -0.06 0.47 -0.79 0.77 -0.57 0.00 0.00 179.45 179.27 6hbw h SER 9 N 0.74 0.50 -0.52 0.86 0.02 -1.03 -1.94 113.55 112.19 6hbw h SER 9 Ca 0.21 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 6hbw h SER 9 Cb -0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 6hbw h SER 9 CO -0.05 1.11 0.17 0.00 -1.14 0.00 0.00 176.83 176.93 6hbw h ALA 10 N 0.87 0.68 0.78 3.77 0.00 -0.38 0.21 119.26 125.19 6hbw h ALA 10 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 6hbw h ALA 10 Cb 1.39 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.98 6hbw h ALA 10 CO 0.14 0.33 -0.38 0.28 0.00 0.00 0.00 179.25 179.62 6hbw h VAL 11 N 0.70 0.21 -0.64 0.00 2.07 -1.17 -1.25 116.25 116.17 6hbw h VAL 11 Ca 0.17 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.76 6hbw h VAL 11 Cb 0.26 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 6hbw h VAL 11 CO -0.01 0.01 0.12 0.74 0.02 0.00 0.00 177.57 178.45 6hbw h THR 12 N -1.09 0.59 0.82 2.57 2.02 -1.23 -0.57 112.91 116.01 6hbw h THR 12 Ca -0.11 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 6hbw h THR 12 Cb 0.81 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 6hbw h THR 12 CO 0.18 0.04 -0.39 0.00 0.37 0.00 0.00 175.52 175.72 6hbw h ALA 13 N 1.52 -1.10 -0.73 6.16 0.00 -0.42 -2.57 119.26 122.12 6hbw h ALA 13 Ca 0.34 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.11 6hbw h ALA 13 Cb 0.54 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 6hbw h ALA 13 CO -0.45 -1.11 0.37 1.25 0.00 0.00 0.00 179.25 179.32 6hbw h LEU 14 N -1.12 0.48 -2.05 0.00 7.12 -0.97 -0.64 115.31 118.13 6hbw h LEU 14 Ca -0.11 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 6hbw h LEU 14 Cb 0.84 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.95 6hbw h LEU 14 CO 0.18 0.27 -0.05 -0.25 -0.13 0.00 0.00 178.44 178.46 6hbw h TRP 15 N 0.62 0.00 0.00 1.25 2.91 -1.04 -1.86 115.95 117.82 6hbw h TRP 15 Ca 0.36 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.38 6hbw h TRP 15 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.04 6hbw h TRP 15 CO -0.10 0.05 0.00 0.78 -1.03 0.00 0.00 178.44 178.13 6hbw h GLY 16 N 1.05 0.00 -0.93 2.65 0.00 -0.69 -2.29 103.07 102.86 6hbw h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 6hbw h GLY 16 CO 0.01 0.00 -0.38 0.28 0.00 0.00 0.00 176.54 176.45 6hbw n LYS 17 N -2.65 1.47 -2.83 4.80 5.02 -0.70 -4.96 118.16 118.31 6hbw n LYS 17 Ca 0.01 -0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 54.90 6hbw n LYS 17 Cb 0.22 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 6hbw n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 6hbw s VAL 18 N -2.17 4.73 -0.70 -0.18 1.01 -0.86 -4.99 120.40 117.24 6hbw s VAL 18 Ca 0.17 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.37 6hbw s VAL 18 Cb 0.16 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.34 6hbw s VAL 18 CO 0.48 -0.25 1.36 0.21 0.00 0.00 0.00 175.10 176.89 6hbw s ASN 19 N 1.51 6.07 0.24 3.32 3.84 -1.26 -4.86 114.94 123.80 6hbw s ASN 19 Ca 0.37 -0.25 -0.04 0.00 0.21 0.00 0.00 52.86 53.15 6hbw s ASN 19 Cb -0.14 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.41 6hbw s ASN 19 CO 0.11 -1.87 1.80 0.58 -2.79 0.00 0.00 177.10 174.93 6hbw h VAL 20 N 6.18 0.88 -0.16 -5.21 2.07 -1.94 -1.21 116.25 116.87 6hbw h VAL 20 Ca -0.27 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.00 6hbw h VAL 20 Cb 1.07 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 6hbw h VAL 20 CO 1.26 0.14 0.08 0.44 0.02 0.00 0.00 177.57 179.51 6hbw h ASP 21 N 0.75 0.13 -0.06 0.57 5.19 -1.89 0.08 116.42 121.19 6hbw h ASP 21 Ca 0.40 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 6hbw h ASP 21 Cb 0.39 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 6hbw h ASP 21 CO -0.26 0.10 -0.02 1.05 -3.12 0.00 0.00 179.24 176.99 6hbw h GLU 22 N 0.18 0.12 0.00 3.56 -0.00 -1.87 -2.60 114.58 113.98 6hbw h GLU 22 Ca 0.06 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.36 59.34 6hbw h GLU 22 Cb 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.74 6hbw h GLU 22 CO -0.04 0.49 -0.13 0.28 -0.00 0.00 0.00 179.01 179.61 6hbw h VAL 23 N -0.25 0.93 0.10 -1.06 2.07 -1.21 -1.27 116.25 115.57 6hbw h VAL 23 Ca 0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 6hbw h VAL 23 Cb 0.45 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 6hbw h VAL 23 CO 0.01 0.13 -0.05 1.23 0.02 0.00 0.00 177.57 178.90 6hbw h GLY 24 N 0.48 -0.14 1.18 2.17 0.00 -0.80 0.93 103.07 106.88 6hbw h GLY 24 Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 6hbw h GLY 24 CO 0.02 -0.05 0.23 -1.33 0.00 0.00 0.00 176.54 175.40 6hbw h GLY 25 N -0.46 1.12 0.81 4.60 0.00 -1.21 -1.33 103.07 106.59 6hbw h GLY 25 Ca -0.01 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 6hbw h GLY 25 CO 0.02 0.59 0.01 -2.09 0.00 0.00 0.00 176.54 175.07 6hbw h GLU 26 N 1.01 0.06 0.09 4.80 4.57 -1.10 0.88 114.58 124.88 6hbw h GLU 26 Ca 0.23 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 6hbw h GLU 26 Cb 0.26 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 6hbw h GLU 26 CO -0.01 0.25 -0.05 0.00 -1.18 0.00 0.00 179.01 178.02 6hbw h ALA 27 N 0.81 -0.13 -0.53 2.92 0.00 -0.71 -0.43 119.26 121.20 6hbw h ALA 27 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 6hbw h ALA 27 Cb 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 6hbw h ALA 27 CO -0.00 -0.53 0.06 1.25 0.00 0.00 0.00 179.25 180.04 6hbw h LEU 28 N -0.21 0.80 -0.20 0.00 5.85 -1.25 -1.67 115.31 118.62 6hbw h LEU 28 Ca -0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.54 6hbw h LEU 28 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 6hbw h LEU 28 CO 0.02 0.83 0.11 1.23 -0.34 0.00 0.00 178.44 180.29 6hbw h GLY 29 N 0.98 0.27 2.00 3.75 0.00 -0.58 -2.28 103.07 107.21 6hbw h GLY 29 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 6hbw h GLY 29 CO 0.01 0.07 -0.25 3.21 0.00 0.00 0.00 176.54 179.58 6hbw h ARG 30 N 0.23 0.00 -0.38 4.80 3.08 -0.76 -2.22 114.38 119.13 6hbw h ARG 30 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 6hbw h ARG 30 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 6hbw h ARG 30 CO -0.05 0.25 0.18 1.25 -1.07 0.00 0.00 179.97 180.54 6hbw h LEU 31 N 0.00 0.49 -1.30 3.04 5.85 -0.76 0.33 115.31 122.96 6hbw h LEU 31 Ca -0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 6hbw h LEU 31 Cb 0.50 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 6hbw h LEU 31 CO 0.03 0.48 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.35 6hbw h LEU 32 N 0.47 0.00 0.03 2.25 4.07 -1.07 -1.84 115.31 119.22 6hbw h LEU 32 Ca 0.13 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 6hbw h LEU 32 Cb 0.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 6hbw h LEU 32 CO -0.02 0.19 -0.85 0.58 -1.08 0.00 0.00 178.44 177.26 6hbw h VAL 33 N 0.00 1.26 0.00 1.22 2.07 -0.80 -3.22 116.25 116.78 6hbw h VAL 33 Ca -0.00 -2.30 -0.17 0.00 0.82 0.00 0.00 66.70 65.04 6hbw h VAL 33 Cb 0.65 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 6hbw h VAL 33 CO 0.03 0.52 -0.81 0.58 0.02 0.00 0.00 177.57 177.91 6hbw h VAL 34 N -0.81 1.56 -2.38 2.57 2.07 -0.41 -3.34 116.25 115.51 6hbw h VAL 34 Ca -0.21 -2.71 -0.59 0.00 0.82 0.00 0.00 66.70 64.00 6hbw h VAL 34 Cb 1.32 2.47 -0.40 0.00 -1.52 0.00 0.00 31.29 33.17 6hbw h VAL 34 CO -0.06 0.78 -0.86 -1.22 0.02 0.00 0.00 177.57 176.23 6hbw n TYR 35 N -3.60 0.94 0.06 1.57 4.01 -0.69 -4.99 117.16 114.45 6hbw n TYR 35 Ca -0.01 -3.74 0.21 0.00 -0.16 0.00 0.00 57.90 54.20 6hbw n TYR 35 Cb 0.77 -0.24 0.69 0.00 -0.31 0.00 0.00 39.34 40.25 6hbw n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 6hbw h PRO 36 N 4.86 0.00 0.00 -0.72 0.13 -1.69 -1.50 132.00 133.08 6hbw h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 6hbw h PRO 36 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 6hbw h PRO 36 CO 0.55 0.00 -0.05 0.11 -0.23 0.00 0.00 178.00 178.38 6hbw h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.90 -1.40 115.95 114.30 6hbw h TRP 37 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.21 6hbw h TRP 37 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.64 6hbw h TRP 37 CO 0.00 0.05 0.00 1.79 0.09 0.00 0.00 178.44 180.37 6hbw h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.57 -1.83 112.91 110.98 6hbw h THR 38 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 6hbw h THR 38 Cb 0.20 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 6hbw h THR 38 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 6hbw n GLN 39 N -2.67 0.14 0.03 4.72 6.02 -0.53 -3.11 117.38 121.99 6hbw n GLN 39 Ca -0.01 0.46 0.21 0.00 -0.01 0.00 0.00 57.00 57.65 6hbw n GLN 39 Cb 0.11 -1.82 0.73 0.00 1.02 0.00 0.00 30.24 30.29 6hbw n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 6hbw h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.55 -0.50 114.38 111.35 6hbw h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 6hbw h ARG 40 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 6hbw h ARG 40 CO 0.00 0.00 -0.44 1.19 0.10 0.00 0.00 179.97 180.82 6hbw n PHE 41 N -4.02 0.00 -2.09 4.08 3.72 -1.18 -4.46 117.46 113.50 6hbw n PHE 41 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.34 6hbw n PHE 41 Cb 0.64 -0.22 0.05 0.00 -0.94 0.00 0.00 39.48 39.01 6hbw n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 6hbw n PHE 42 N -1.29 2.07 -0.19 1.38 3.72 -0.20 -4.81 117.46 118.14 6hbw n PHE 42 Ca 0.07 -2.06 0.09 0.00 -0.05 0.00 0.00 57.45 55.51 6hbw n PHE 42 Cb 0.34 -0.31 0.39 0.00 -0.94 0.00 0.00 39.48 38.97 6hbw n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 6hbw h GLU 43 N 2.04 0.64 0.00 -1.08 9.09 -1.78 -1.10 114.58 122.38 6hbw h GLU 43 Ca 0.23 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.60 6hbw h GLU 43 Cb 1.44 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 6hbw h GLU 43 CO 0.55 0.42 0.00 0.66 0.05 0.00 0.00 179.01 180.69 6hbw h SER 44 N 0.66 0.00 0.30 3.06 4.64 -1.94 -3.08 113.55 117.19 6hbw h SER 44 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 6hbw h SER 44 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 6hbw h SER 44 CO -0.12 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.33 6hbw n PHE 45 N -2.33 0.00 -0.04 4.77 3.01 -0.42 -4.98 117.46 117.47 6hbw n PHE 45 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 6hbw n PHE 45 Cb 0.21 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 6hbw n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 6hbw n GLY 46 N -0.11 0.52 3.60 1.37 0.00 -1.17 -4.74 105.19 104.67 6hbw n GLY 46 Ca 0.06 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 6hbw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 6hbw s ASP 47 N -4.00 6.17 -0.07 1.61 2.15 -1.26 -4.80 116.67 116.47 6hbw s ASP 47 Ca 0.00 1.13 0.15 0.00 0.43 0.00 0.00 52.55 54.26 6hbw s ASP 47 Cb 0.00 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.39 6hbw s ASP 47 CO 0.00 -1.51 1.14 0.18 -0.17 0.00 0.00 175.17 174.80 6hbw n LEU 48 N 9.33 1.32 -0.10 -1.34 4.77 -1.26 -4.16 117.00 125.56 6hbw n LEU 48 Ca 0.19 -2.33 -0.09 0.00 -0.03 0.00 0.00 56.01 53.75 6hbw n LEU 48 Cb 0.47 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 6hbw n LEU 48 CO 0.69 0.67 0.68 0.77 -1.33 0.00 0.00 177.39 178.86 6hbw h SER 49 N 0.60 0.86 -3.72 -1.43 4.64 -1.92 -3.44 113.55 109.15 6hbw h SER 49 Ca -0.09 -0.32 -0.41 0.00 -0.47 0.00 0.00 61.79 60.50 6hbw h SER 49 Cb 1.44 -0.24 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 6hbw h SER 49 CO 0.04 1.06 -0.64 0.42 -0.87 0.00 0.00 176.83 176.84 6hbw s THR 50 N -4.59 1.05 0.14 2.95 -4.23 -1.26 -5.02 115.64 104.68 6hbw s THR 50 Ca -0.10 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.21 6hbw s THR 50 Cb 0.13 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.43 6hbw s THR 50 CO 0.85 -0.17 1.74 -0.65 -0.54 0.00 0.00 174.62 175.84 6hbw h PRO 51 N 2.34 0.18 -0.31 3.99 0.11 -1.98 -0.87 132.00 135.46 6hbw h PRO 51 Ca -0.39 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.78 6hbw h PRO 51 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 6hbw h PRO 51 CO 0.66 0.12 0.22 -0.44 -0.21 0.00 0.00 178.00 178.34 6hbw h ASP 52 N 0.19 0.07 -0.02 -2.05 5.19 -1.98 0.12 116.42 117.95 6hbw h ASP 52 Ca 0.13 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.40 6hbw h ASP 52 Cb 0.13 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.63 6hbw h ASP 52 CO -0.16 0.05 -0.54 0.00 -3.12 0.00 0.00 179.24 175.47 6hbw h ALA 53 N 1.84 0.09 0.42 3.45 0.00 -1.67 -2.07 119.26 121.32 6hbw h ALA 53 Ca 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 6hbw h ALA 53 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 6hbw h ALA 53 CO -0.01 0.32 -0.20 0.28 0.00 0.00 0.00 179.25 179.63 6hbw h VAL 54 N -0.13 0.55 -0.59 0.00 2.07 -0.30 0.05 116.25 117.90 6hbw h VAL 54 Ca -0.06 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.12 6hbw h VAL 54 Cb 1.25 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 6hbw h VAL 54 CO 0.11 0.07 0.39 0.24 0.02 0.00 0.00 177.57 178.40 6hbw h MET 55 N -0.81 0.52 -0.00 1.57 2.07 -0.93 -1.16 114.93 116.18 6hbw h MET 55 Ca -0.06 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 6hbw h MET 55 Cb 0.54 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.16 6hbw h MET 55 CO 0.09 0.34 -0.35 0.41 1.07 0.00 0.00 176.91 178.47 6hbw n GLY 56 N -1.49 -1.03 3.66 8.32 0.00 -0.78 -4.84 105.19 109.03 6hbw n GLY 56 Ca 0.09 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 6hbw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 6hbw s ASN 57 N -2.79 6.46 0.40 1.61 3.84 -0.01 -4.89 114.94 119.56 6hbw s ASN 57 Ca 0.17 2.57 0.09 0.00 0.21 0.00 0.00 52.86 55.90 6hbw s ASN 57 Cb 0.18 -2.53 0.83 0.00 -0.55 0.00 0.00 41.25 39.18 6hbw s ASN 57 CO 0.61 -1.06 1.97 1.55 -2.79 0.00 0.00 177.10 177.39 6hbw h PRO 58 N 10.53 0.34 -0.30 0.43 0.13 -1.89 -1.46 132.00 139.77 6hbw h PRO 58 Ca -0.48 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.45 6hbw h PRO 58 Cb 1.23 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 6hbw h PRO 58 CO 0.94 0.36 -0.42 0.87 -0.23 0.00 0.00 178.00 179.52 6hbw h LYS 59 N 0.33 0.75 -0.48 0.86 1.57 -1.90 -1.08 116.57 116.63 6hbw h LYS 59 Ca 0.08 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 6hbw h LYS 59 Cb 0.21 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 6hbw h LYS 59 CO 0.00 1.03 0.17 0.28 -0.57 0.00 0.00 179.45 180.36 6hbw h VAL 60 N 0.61 1.22 -0.34 0.50 2.07 -1.72 -0.60 116.25 117.99 6hbw h VAL 60 Ca 0.05 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 6hbw h VAL 60 Cb 0.97 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 6hbw h VAL 60 CO 0.09 0.26 0.14 0.11 0.02 0.00 0.00 177.57 178.19 6hbw h LYS 61 N 0.64 0.51 -0.68 1.57 1.57 -1.11 0.42 116.57 119.49 6hbw h LYS 61 Ca 0.16 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 6hbw h LYS 61 Cb 0.23 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 6hbw h LYS 61 CO -0.01 0.50 0.27 0.00 -0.57 0.00 0.00 179.45 179.64 6hbw h ALA 62 N 0.98 0.88 -0.16 3.86 0.00 -1.11 -1.20 119.26 122.51 6hbw h ALA 62 Ca 0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 6hbw h ALA 62 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 6hbw h ALA 62 CO -0.01 0.51 -0.47 1.25 0.00 0.00 0.00 179.25 180.53 6hbw h HIS 63 N 0.96 0.49 -0.59 0.00 -0.00 -0.92 -2.66 115.15 112.44 6hbw h HIS 63 Ca 0.23 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 6hbw h HIS 63 Cb 0.22 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 6hbw h HIS 63 CO 0.02 0.80 0.14 0.78 -0.00 0.00 0.00 177.93 179.67 6hbw h GLY 64 N 1.18 0.99 2.00 5.26 0.00 -0.40 -0.67 103.07 111.43 6hbw h GLY 64 Ca 0.02 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 6hbw h GLY 64 CO 0.08 0.55 -0.51 0.07 0.00 0.00 0.00 176.54 176.73 6hbw h LYS 65 N 0.88 0.00 0.08 4.80 2.10 -1.04 -1.53 116.57 121.87 6hbw h LYS 65 Ca 0.19 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.84 6hbw h LYS 65 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 6hbw h LYS 65 CO -0.00 0.51 -0.04 -0.22 -2.00 0.00 0.00 179.45 177.70 6hbw h LYS 66 N 0.00 -0.11 -0.08 0.07 3.64 -1.07 -1.43 116.57 117.59 6hbw h LYS 66 Ca -0.01 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 6hbw h LYS 66 Cb 0.95 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 6hbw h LYS 66 CO 0.07 0.33 -0.01 0.28 -2.27 0.00 0.00 179.45 177.84 6hbw h VAL 67 N -0.59 0.93 0.00 2.00 2.07 -1.12 -2.33 116.25 117.20 6hbw h VAL 67 Ca -0.01 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 6hbw h VAL 67 Cb 0.49 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 6hbw h VAL 67 CO 0.02 0.00 -0.11 0.25 0.02 0.00 0.00 177.57 177.75 6hbw h LEU 68 N 0.01 0.00 -0.41 2.57 5.85 -1.36 -1.86 115.31 120.10 6hbw h LEU 68 Ca 0.04 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 6hbw h LEU 68 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 6hbw h LEU 68 CO -0.07 0.11 -0.60 1.23 -0.34 0.00 0.00 178.44 178.77 6hbw h GLY 69 N 2.35 0.70 0.72 3.75 0.00 -0.93 0.23 103.07 109.90 6hbw h GLY 69 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 6hbw h GLY 69 CO 0.01 0.76 -0.15 0.00 0.00 0.00 0.00 176.54 177.17 6hbw h ALA 70 N 0.86 0.19 -0.66 3.60 0.00 -1.24 -1.61 119.26 120.39 6hbw h ALA 70 Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.64 6hbw h ALA 70 Cb 1.17 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 6hbw h ALA 70 CO 0.12 0.08 0.36 0.35 0.00 0.00 0.00 179.25 180.16 6hbw h PHE 71 N -0.07 0.66 0.17 0.00 3.04 -1.32 -1.98 116.94 117.44 6hbw h PHE 71 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 6hbw h PHE 71 Cb 0.69 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 6hbw h PHE 71 CO 0.09 0.30 -0.17 1.03 -2.02 0.00 0.00 178.31 177.54 6hbw h SER 72 N 0.66 -0.45 -0.58 0.41 0.87 -0.80 -2.58 113.55 111.09 6hbw h SER 72 Ca 0.30 0.04 0.10 0.00 -1.23 0.00 0.00 61.79 61.01 6hbw h SER 72 Cb 0.21 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.25 6hbw h SER 72 CO -0.20 -0.25 0.13 0.44 -0.53 0.00 0.00 176.83 176.42 6hbw h ASP 73 N -0.37 0.03 0.00 6.23 3.32 -0.97 -1.03 116.42 123.62 6hbw h ASP 73 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 6hbw h ASP 73 Cb 0.35 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.03 6hbw h ASP 73 CO -0.04 0.03 0.13 1.23 -1.72 0.00 0.00 179.24 178.86 6hbw h GLY 74 N 0.27 0.00 2.00 2.75 0.00 -0.96 -1.35 103.07 105.78 6hbw h GLY 74 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 6hbw h GLY 74 CO -0.37 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.58 6hbw h LEU 75 N 0.00 0.00 -0.52 3.11 4.07 -1.04 -0.43 115.31 120.50 6hbw h LEU 75 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 6hbw h LEU 75 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 6hbw h LEU 75 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 6hbw n ALA 76 N -1.98 2.58 -2.68 1.53 0.00 -0.51 -3.75 120.51 115.70 6hbw n ALA 76 Ca 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 6hbw n ALA 76 Cb 0.25 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.51 6hbw n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 6hbw n HIS 77 N -0.29 1.54 -0.16 0.00 8.25 -0.17 -4.92 115.22 119.46 6hbw n HIS 77 Ca 0.16 -2.24 0.19 0.00 -0.26 0.00 0.00 57.72 55.58 6hbw n HIS 77 Cb 0.20 -0.26 0.58 0.00 1.12 0.00 0.00 29.99 31.63 6hbw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 6hbw h LEU 78 N 2.58 0.26 -0.54 2.41 4.07 -1.64 -0.42 115.31 122.03 6hbw h LEU 78 Ca -0.04 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 6hbw h LEU 78 Cb 1.30 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.01 6hbw h LEU 78 CO 0.32 0.12 0.00 0.47 -1.08 0.00 0.00 178.44 178.27 6hbw n ASP 79 N -4.44 0.81 -2.78 -0.43 8.00 -1.26 -4.26 116.55 112.19 6hbw n ASP 79 Ca 0.16 -1.51 -0.10 0.00 0.71 0.00 0.00 54.79 54.05 6hbw n ASP 79 Cb 0.66 -0.04 0.08 0.00 -0.02 0.00 0.00 41.12 41.80 6hbw n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 6hbw n ASN 80 N -0.27 -2.03 0.02 -2.24 5.15 -0.18 -4.98 115.26 110.72 6hbw n ASN 80 Ca 0.16 -3.64 -0.05 0.00 -0.60 0.00 0.00 54.58 50.45 6hbw n ASN 80 Cb 0.20 1.68 0.15 0.00 -0.53 0.00 0.00 39.78 41.29 6hbw n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 6hbw h LEU 81 N 3.00 0.50 -0.38 1.20 3.38 -1.70 -2.34 115.31 118.97 6hbw h LEU 81 Ca -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.68 6hbw h LEU 81 Cb 1.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 6hbw h LEU 81 CO 0.17 0.83 0.24 0.50 0.09 0.00 0.00 178.44 180.26 6hbw h LYS 82 N 0.40 0.50 -0.26 1.13 3.64 -1.88 -1.66 116.57 118.45 6hbw h LYS 82 Ca 0.04 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 6hbw h LYS 82 Cb 0.83 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 6hbw h LYS 82 CO 0.07 0.36 -0.57 0.78 -2.27 0.00 0.00 179.45 177.82 6hbw h GLY 83 N 0.50 0.92 1.93 5.01 0.00 -1.92 -2.29 103.07 107.22 6hbw h GLY 83 Ca 0.14 -1.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.23 6hbw h GLY 83 CO -0.03 1.00 -0.51 0.00 0.00 0.00 0.00 176.54 177.01 6hbw h THR 84 N 0.61 1.36 -0.29 4.70 1.03 -1.34 -3.21 112.91 115.77 6hbw h THR 84 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 66.41 64.66 6hbw h THR 84 Cb 1.19 1.91 0.00 0.00 -1.07 0.00 0.00 68.15 70.17 6hbw h THR 84 CO 0.13 0.51 0.00 0.49 -0.01 0.00 0.00 175.52 176.63 6hbw n PHE 85 N -3.94 0.36 -0.21 0.00 3.72 -0.63 -4.59 117.46 112.16 6hbw n PHE 85 Ca -0.02 -0.18 0.02 0.00 -0.05 0.00 0.00 57.45 57.22 6hbw n PHE 85 Cb 0.53 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.20 6hbw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 6hbw h ALA 86 N 4.59 0.81 -0.47 4.37 0.00 -1.41 -0.24 119.26 126.92 6hbw h ALA 86 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 6hbw h ALA 86 Cb 1.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 6hbw h ALA 86 CO 0.00 -0.25 0.15 1.79 0.00 0.00 0.00 179.25 180.94 6hbw h THR 87 N 0.34 1.22 -0.25 0.00 1.35 -1.83 -2.06 112.91 111.69 6hbw h THR 87 Ca 0.34 -0.75 -0.05 0.00 -0.55 0.00 0.00 66.41 65.40 6hbw h THR 87 Cb 0.48 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 6hbw h THR 87 CO -0.38 0.27 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.02 6hbw h LEU 88 N 0.62 0.37 0.21 3.87 3.38 -1.69 -2.19 115.31 119.89 6hbw h LEU 88 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 6hbw h LEU 88 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 6hbw h LEU 88 CO -0.00 0.49 -0.10 -1.28 0.09 0.00 0.00 178.44 177.64 6hbw h SER 89 N 0.38 -0.24 -0.97 -0.43 0.87 -0.62 -0.60 113.55 111.94 6hbw h SER 89 Ca 0.08 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 6hbw h SER 89 Cb 0.37 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 6hbw h SER 89 CO 0.02 -0.06 0.63 -0.33 -0.53 0.00 0.00 176.83 176.56 6hbw h GLU 90 N -0.40 1.15 -0.34 2.24 5.08 -1.15 -1.38 114.58 119.78 6hbw h GLU 90 Ca -0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 6hbw h GLU 90 Cb 0.31 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 6hbw h GLU 90 CO 0.05 0.76 0.05 1.25 -1.00 0.00 0.00 179.01 180.11 6hbw h LEU 91 N 1.18 0.55 -0.85 1.33 5.85 -1.12 0.30 115.31 122.55 6hbw h LEU 91 Ca 0.40 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 6hbw h LEU 91 Cb 0.08 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 6hbw h LEU 91 CO -0.14 0.68 -0.29 0.45 -0.34 0.00 0.00 178.44 178.80 6hbw h HIS 92 N 0.40 0.59 0.00 1.25 3.86 -0.83 -0.15 115.15 120.28 6hbw h HIS 92 Ca 0.10 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 6hbw h HIS 92 Cb 0.37 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.70 6hbw h HIS 92 CO 0.03 0.76 -0.00 0.00 0.86 0.00 0.00 177.93 179.57 6hbw h ASP 94 N -0.99 0.77 0.00 0.00 3.32 -0.50 -3.16 116.42 115.86 6hbw h ASP 94 Ca -0.00 -0.68 -0.10 0.00 0.02 0.00 0.00 57.03 56.27 6hbw h ASP 94 Cb 0.64 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 6hbw h ASP 94 CO 0.00 1.34 -1.13 0.29 -1.72 0.00 0.00 179.24 178.01 6hbw n LYS 95 N -4.06 0.52 0.18 3.56 4.76 -0.62 -4.65 118.16 117.85 6hbw n LYS 95 Ca -0.09 0.35 0.05 0.00 -2.87 0.00 0.00 58.31 55.75 6hbw n LYS 95 Cb 0.72 -1.55 0.32 0.00 -1.84 0.00 0.00 35.03 32.68 6hbw n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 6hbw h LEU 96 N -1.00 0.00 -1.36 -0.35 3.38 -1.11 -3.48 115.31 111.39 6hbw h LEU 96 Ca -0.15 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.44 6hbw h LEU 96 Cb 0.99 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.86 6hbw h LEU 96 CO -0.09 0.39 -0.75 1.41 0.09 0.00 0.00 178.44 179.49 6hbw n HIS 97 N -3.54 -2.37 -3.53 1.13 8.25 0.16 -4.96 115.22 110.35 6hbw n HIS 97 Ca -0.00 0.95 -0.38 0.00 -0.26 0.00 0.00 57.72 58.02 6hbw n HIS 97 Cb 0.52 -4.85 -0.10 0.00 1.12 0.00 0.00 29.99 26.68 6hbw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 6hbw s VAL 98 N -3.39 5.27 0.09 1.59 1.01 0.13 -5.00 120.40 120.10 6hbw s VAL 98 Ca 0.25 0.35 -0.32 0.00 0.00 0.00 0.00 61.98 62.25 6hbw s VAL 98 Cb -0.11 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 6hbw s VAL 98 CO 0.75 0.25 1.82 -0.67 0.00 0.00 0.00 175.10 177.25 6hbw n ASP 99 N 4.86 3.86 0.17 3.32 -0.08 -1.26 -4.71 116.55 122.70 6hbw n ASP 99 Ca -0.12 0.99 0.19 0.00 -1.51 0.00 0.00 54.79 54.34 6hbw n ASP 99 Cb 0.52 -1.51 0.79 0.00 2.34 0.00 0.00 41.12 43.26 6hbw n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 6hbw h PRO 100 N 8.42 0.00 -0.66 -0.67 0.11 -1.96 -1.24 132.00 136.00 6hbw h PRO 100 Ca -0.47 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.77 6hbw h PRO 100 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 6hbw h PRO 100 CO 0.94 0.00 0.45 1.49 -0.21 0.00 0.00 178.00 180.67 6hbw h GLU 101 N 0.00 0.34 -0.56 1.05 4.57 -1.97 0.05 114.58 118.05 6hbw h GLU 101 Ca 0.13 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 6hbw h GLU 101 Cb 0.84 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 6hbw h GLU 101 CO -0.00 0.22 0.37 -0.91 -1.18 0.00 0.00 179.01 177.52 6hbw h ASN 102 N 0.35 0.45 -0.41 1.04 2.35 -1.59 -1.10 115.58 116.67 6hbw h ASN 102 Ca 0.32 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 6hbw h ASN 102 Cb 0.76 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 6hbw h ASN 102 CO -0.08 0.30 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.42 6hbw h PHE 103 N 0.52 1.11 -0.53 1.19 0.04 -1.16 -1.23 116.94 116.88 6hbw h PHE 103 Ca 0.24 -0.31 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 6hbw h PHE 103 Cb 0.29 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 6hbw h PHE 103 CO -0.00 1.13 0.15 -0.09 -0.60 0.00 0.00 178.31 178.90 6hbw h ARG 104 N 0.77 0.83 -0.55 1.51 2.43 -1.24 -1.53 114.38 116.59 6hbw h ARG 104 Ca 0.08 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 6hbw h ARG 104 Cb 0.90 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 6hbw h ARG 104 CO 0.08 0.78 0.20 -0.07 -1.51 0.00 0.00 179.97 179.45 6hbw h LEU 105 N 0.73 0.77 -1.52 3.80 3.38 -1.11 -1.90 115.31 119.47 6hbw h LEU 105 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 6hbw h LEU 105 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 6hbw h LEU 105 CO -0.00 0.75 -0.25 0.25 0.09 0.00 0.00 178.44 179.28 6hbw h LEU 106 N 0.76 0.00 -0.91 1.67 5.85 -1.07 -0.92 115.31 120.68 6hbw h LEU 106 Ca 0.18 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 6hbw h LEU 106 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 6hbw h LEU 106 CO -0.01 0.25 -0.15 1.23 -0.34 0.00 0.00 178.44 179.42 6hbw h GLY 107 N 0.91 0.69 1.08 3.75 0.00 -0.51 0.57 103.07 109.55 6hbw h GLY 107 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 6hbw h GLY 107 CO 0.03 0.48 -0.24 3.43 0.00 0.00 0.00 176.54 180.24 6hbw h ASN 108 N 0.58 0.97 -0.34 0.19 2.35 -0.59 -2.39 115.58 116.35 6hbw h ASN 108 Ca 0.10 -0.41 -0.08 0.00 -0.55 0.00 0.00 56.30 55.35 6hbw h ASN 108 Cb 0.59 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 6hbw h ASN 108 CO 0.04 1.17 -0.11 0.58 -1.65 0.00 0.00 177.43 177.46 6hbw h VAL 109 N 0.77 1.28 -0.58 2.81 2.07 -1.09 -2.38 116.25 119.13 6hbw h VAL 109 Ca 0.09 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.45 6hbw h VAL 109 Cb 0.82 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 6hbw h VAL 109 CO 0.07 0.39 0.36 0.25 0.02 0.00 0.00 177.57 178.66 6hbw h LEU 110 N 0.45 0.60 -0.73 2.57 5.85 -0.79 0.21 115.31 123.47 6hbw h LEU 110 Ca 0.08 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 6hbw h LEU 110 Cb 0.62 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 6hbw h LEU 110 CO 0.04 0.43 0.35 0.58 -0.34 0.00 0.00 178.44 179.49 6hbw h VAL 111 N 0.72 1.24 -0.44 1.05 2.07 -1.41 -0.02 116.25 119.46 6hbw h VAL 111 Ca 0.22 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 6hbw h VAL 111 Cb -0.02 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 6hbw h VAL 111 CO -0.08 0.28 -0.05 0.00 0.02 0.00 0.00 177.57 177.74 6hbw h VAL 113 N 0.70 1.28 -0.21 0.00 2.07 -0.23 -0.38 116.25 119.49 6hbw h VAL 113 Ca 0.13 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 6hbw h VAL 113 Cb 0.51 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 6hbw h VAL 113 CO 0.03 0.48 -0.24 -0.07 0.02 0.00 0.00 177.57 177.79 6hbw h LEU 114 N 0.63 0.57 -0.23 2.57 3.38 -0.65 -0.20 115.31 121.37 6hbw h LEU 114 Ca 0.07 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.58 6hbw h LEU 114 Cb 0.85 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 6hbw h LEU 114 CO 0.07 0.95 0.02 0.00 0.09 0.00 0.00 178.44 179.57 6hbw h ALA 115 N 0.64 0.21 0.22 1.53 0.00 -0.98 0.11 119.26 120.99 6hbw h ALA 115 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 6hbw h ALA 115 Cb 0.80 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 6hbw h ALA 115 CO 0.06 -0.41 -0.20 1.25 0.00 0.00 0.00 179.25 179.95 6hbw h HIS 116 N 0.09 -0.53 -0.17 0.00 -0.00 -0.96 0.30 115.15 113.89 6hbw h HIS 116 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.35 6hbw h HIS 116 Cb 0.13 0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 6hbw h HIS 116 CO -0.18 -0.30 -0.46 1.25 -0.00 0.00 0.00 177.93 178.24 6hbw h HIS 117 N -0.44 0.51 0.00 5.26 6.17 -0.88 -3.33 115.15 122.45 6hbw h HIS 117 Ca -0.00 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 60.92 6hbw h HIS 117 Cb 0.41 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.23 6hbw h HIS 117 CO -0.14 0.81 -1.67 1.19 0.71 0.00 0.00 177.93 178.83 6hbw n PHE 118 N -3.99 0.29 -2.34 5.26 3.72 0.36 -5.06 117.46 115.70 6hbw n PHE 118 Ca -0.02 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 6hbw n PHE 118 Cb 0.54 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 6hbw n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 6hbw n GLY 119 N 1.24 2.48 0.36 1.37 0.00 0.11 -3.18 105.19 107.58 6hbw n GLY 119 Ca -0.03 -0.39 0.18 0.00 0.00 0.00 0.00 46.02 45.79 6hbw n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 6hbw h LYS 120 N 0.00 0.00 -0.68 1.61 3.64 -1.97 -1.34 116.57 117.84 6hbw h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 6hbw h LYS 120 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 6hbw h LYS 120 CO 0.00 0.00 0.31 1.49 -2.27 0.00 0.00 179.45 178.98 6hbw h GLU 121 N 0.00 0.97 -4.91 1.90 4.81 -1.93 -3.26 114.58 112.15 6hbw h GLU 121 Ca 0.16 -0.14 -0.61 0.00 -0.13 0.00 0.00 59.36 58.65 6hbw h GLU 121 Cb 0.77 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 6hbw h GLU 121 CO -0.00 0.76 2.25 0.34 -0.73 0.00 0.00 179.01 181.63 6hbw n PHE 122 N -4.33 3.22 -1.23 0.92 7.35 -0.51 -4.90 117.46 117.99 6hbw n PHE 122 Ca 0.06 -2.32 -0.29 0.00 -0.76 0.00 0.00 57.45 54.15 6hbw n PHE 122 Cb 0.14 -2.37 0.16 0.00 0.35 0.00 0.00 39.48 37.77 6hbw n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 6hbw s THR 123 N 5.60 2.16 0.33 -2.13 -4.23 -1.23 -4.70 115.64 111.44 6hbw s THR 123 Ca 0.56 0.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 6hbw s THR 123 Cb 0.08 -2.58 0.29 0.00 1.34 0.00 0.00 72.50 71.63 6hbw s THR 123 CO 0.06 -0.07 1.94 -0.65 -0.54 0.00 0.00 174.62 175.35 6hbw h PRO 124 N -1.78 0.87 -0.15 3.99 0.11 -1.92 0.52 132.00 133.64 6hbw h PRO 124 Ca -0.53 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.36 6hbw h PRO 124 Cb 1.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 6hbw h PRO 124 CO 0.58 0.58 -0.61 -1.35 -0.21 0.00 0.00 178.00 176.99 6hbw h PRO 125 N 0.90 0.51 -0.46 1.05 0.11 -1.98 -1.23 132.00 130.90 6hbw h PRO 125 Ca 0.35 -0.35 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 6hbw h PRO 125 Cb 0.22 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 6hbw h PRO 125 CO -0.12 0.96 -0.20 0.28 -0.21 0.00 0.00 178.00 178.71 6hbw h VAL 126 N 0.38 1.27 0.10 3.15 2.07 -1.81 -1.68 116.25 119.73 6hbw h VAL 126 Ca -0.01 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 6hbw h VAL 126 Cb 1.16 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 6hbw h VAL 126 CO 0.11 0.46 -0.05 -0.61 0.02 0.00 0.00 177.57 177.51 6hbw h GLN 127 N 0.80 -0.13 -1.00 1.57 4.15 -0.81 -1.64 115.11 118.05 6hbw h GLN 127 Ca 0.11 0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.75 6hbw h GLN 127 Cb 0.76 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 28.37 6hbw h GLN 127 CO 0.06 0.02 0.61 0.00 -1.93 0.00 0.00 178.83 177.59 6hbw h ALA 128 N 0.65 1.75 -0.34 3.38 0.00 -1.04 0.28 119.26 123.93 6hbw h ALA 128 Ca -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 6hbw h ALA 128 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 6hbw h ALA 128 CO 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.20 6hbw h ALA 129 N 1.67 0.45 0.00 0.00 0.00 -0.72 -2.57 119.26 118.09 6hbw h ALA 129 Ca 0.60 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 6hbw h ALA 129 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 6hbw h ALA 129 CO -0.40 0.12 -0.25 1.88 0.00 0.00 0.00 179.25 180.59 6hbw h TYR 130 N 0.40 0.00 -0.48 0.00 -1.99 -0.19 -2.51 116.97 112.20 6hbw h TYR 130 Ca 0.11 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 6hbw h TYR 130 Cb 0.29 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 6hbw h TYR 130 CO 0.01 0.25 -0.13 1.96 -0.00 0.00 0.00 178.16 180.26 6hbw h GLN 131 N 0.00 0.94 -0.56 4.88 1.08 -0.20 0.48 115.11 121.73 6hbw h GLN 131 Ca -0.00 -0.37 -0.06 0.00 -1.45 0.00 0.00 58.65 56.77 6hbw h GLN 131 Cb 0.74 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 6hbw h GLN 131 CO 0.03 1.03 0.11 0.87 -0.95 0.00 0.00 178.83 179.92 6hbw h LYS 132 N 0.79 0.87 0.23 1.46 1.57 -1.29 -1.98 116.57 118.22 6hbw h LYS 132 Ca 0.12 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 6hbw h LYS 132 Cb 0.69 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.88 6hbw h LYS 132 CO 0.05 0.80 -0.11 0.28 -0.57 0.00 0.00 179.45 179.89 6hbw h VAL 133 N 0.83 0.81 -0.29 0.50 2.07 -0.97 -0.36 116.25 118.84 6hbw h VAL 133 Ca 0.18 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 6hbw h VAL 133 Cb 0.33 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 6hbw h VAL 133 CO 0.00 0.15 -0.03 -0.37 0.02 0.00 0.00 177.57 177.34 6hbw h VAL 134 N -0.73 1.19 -0.34 2.57 -1.51 -0.92 0.36 116.25 116.87 6hbw h VAL 134 Ca -0.03 -0.78 -0.11 0.00 -1.23 0.00 0.00 66.70 64.56 6hbw h VAL 134 Cb 0.49 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 6hbw h VAL 134 CO 0.05 0.26 -0.20 0.00 -1.23 0.00 0.00 177.57 176.45 6hbw h ALA 135 N 1.54 0.48 -0.49 5.19 0.00 -1.39 -0.56 119.26 124.03 6hbw h ALA 135 Ca 0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 6hbw h ALA 135 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 6hbw h ALA 135 CO 0.01 0.43 0.07 0.78 0.00 0.00 0.00 179.25 180.55 6hbw h GLY 136 N 0.51 0.89 1.17 0.00 0.00 -0.53 -0.40 103.07 104.72 6hbw h GLY 136 Ca 0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 6hbw h GLY 136 CO 0.06 0.55 0.17 -2.08 0.00 0.00 0.00 176.54 175.24 6hbw h VAL 137 N 0.70 1.25 -0.34 4.60 2.07 -0.85 -0.39 116.25 123.28 6hbw h VAL 137 Ca 0.15 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 6hbw h VAL 137 Cb 0.41 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 6hbw h VAL 137 CO 0.01 0.35 -0.15 0.00 0.02 0.00 0.00 177.57 177.80 6hbw h ALA 138 N 1.19 0.48 -0.37 1.67 0.00 -0.81 -0.86 119.26 120.55 6hbw h ALA 138 Ca 0.21 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 6hbw h ALA 138 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 6hbw h ALA 138 CO -0.00 0.39 -0.11 -0.91 0.00 0.00 0.00 179.25 178.62 6hbw h ASN 139 N 0.48 0.63 -0.22 0.00 2.35 -0.96 -0.45 115.58 117.41 6hbw h ASN 139 Ca 0.08 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.50 6hbw h ASN 139 Cb 0.69 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 6hbw h ASN 139 CO 0.05 0.77 -0.43 0.00 -1.65 0.00 0.00 177.43 176.17 6hbw h ALA 140 N 1.29 0.66 0.00 -0.83 0.00 -0.88 -0.46 119.26 119.05 6hbw h ALA 140 Ca 0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 6hbw h ALA 140 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 6hbw h ALA 140 CO 0.03 0.67 -0.58 -0.07 0.00 0.00 0.00 179.25 179.30 6hbw h LEU 141 N 0.63 0.00 0.00 0.00 3.38 -0.93 -3.17 115.31 115.23 6hbw h LEU 141 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 6hbw h LEU 141 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 6hbw h LEU 141 CO 0.09 0.58 -0.54 0.00 0.09 0.00 0.00 178.44 178.66 6hbw h ALA 142 N 1.42 0.72 -0.84 1.53 0.00 -0.96 -3.39 119.26 117.73 6hbw h ALA 142 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 6hbw h ALA 142 Cb 1.25 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 6hbw h ALA 142 CO 0.08 0.00 0.40 1.25 0.00 0.00 0.00 179.25 180.98 6hbw h HIS 143 N 0.00 0.69 -0.23 0.00 6.17 -1.04 -2.20 115.15 118.54 6hbw h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 6hbw h HIS 143 Cb 0.98 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.73 6hbw h HIS 143 CO 0.00 0.10 0.00 1.63 0.71 0.00 0.00 177.93 180.37 6hbw n LYS 144 N -4.94 1.57 -2.11 5.26 4.76 -1.26 -4.89 118.16 116.55 6hbw n LYS 144 Ca 0.18 -0.88 -0.34 0.00 -2.87 0.00 0.00 58.31 54.39 6hbw n LYS 144 Cb 0.48 -1.22 0.01 0.00 -1.84 0.00 0.00 35.03 32.47 6hbw n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 6hbw s TYR 145 N -1.69 2.73 0.00 2.13 1.51 -0.83 -4.69 117.35 116.51 6hbw s TYR 145 Ca 0.19 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.80 6hbw s TYR 145 Cb 0.10 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 6hbw s TYR 145 CO 0.14 -1.48 0.00 -2.39 -1.11 0.00 0.00 175.55 170.71