#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6a s THR 3 N 0.00 3.21 0.23 6.66 -4.23 -1.26 -4.87 115.64 115.37 1s6a s THR 3 Ca 0.00 0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1s6a s THR 3 Cb 0.00 -3.37 0.18 0.00 1.34 0.00 0.00 72.50 70.65 1s6a s THR 3 CO 0.00 -0.51 1.81 0.25 -0.54 0.00 0.00 174.62 175.63 1s6a h LEU 4 N -0.75 0.63 -0.21 4.79 5.85 -1.91 -0.30 115.31 123.41 1s6a h LEU 4 Ca -0.45 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.36 1s6a h LEU 4 Cb 1.27 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1s6a h LEU 4 CO 0.64 0.38 -0.16 0.22 -0.34 0.00 0.00 178.44 179.18 1s6a h TYR 5 N 0.75 -0.40 -0.40 1.25 3.20 -1.33 -0.50 116.97 119.55 1s6a h TYR 5 Ca 0.35 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.26 1s6a h TYR 5 Cb 0.27 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1s6a h TYR 5 CO -0.07 -0.23 0.24 0.93 -1.64 0.00 0.00 178.16 177.39 1s6a h GLU 6 N -0.16 0.47 -0.64 1.82 5.08 -1.67 0.17 114.58 119.65 1s6a h GLU 6 Ca 0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1s6a h GLU 6 Cb 0.34 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1s6a h GLU 6 CO -0.30 0.31 0.27 0.87 -1.00 0.00 0.00 179.01 179.16 1s6a h LYS 7 N 0.49 0.92 0.00 2.33 1.57 -0.72 -1.00 116.57 120.16 1s6a h LYS 7 Ca 0.16 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1s6a h LYS 7 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1s6a h LYS 7 CO -0.06 0.74 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.27 1s6a h LEU 8 N 0.91 0.00 0.00 2.94 3.38 -1.02 -3.46 115.31 118.06 1s6a h LEU 8 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1s6a h LEU 8 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s6a h LEU 8 CO -0.02 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1s6a n GLY 9 N -0.85 0.79 7.00 0.83 0.00 -0.38 -4.78 105.19 107.80 1s6a n GLY 9 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s6a n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6a n GLY 10 N 0.00 0.40 0.30 -0.02 0.00 0.03 -3.49 105.19 102.42 1s6a n GLY 10 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 1s6a n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s6a h THR 11 N 0.00 0.24 -0.36 2.61 2.02 -1.98 -2.03 112.91 113.41 1s6a h THR 11 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1s6a h THR 11 Cb 0.00 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1s6a h THR 11 CO 0.00 0.00 -0.20 0.71 0.37 0.00 0.00 175.52 176.40 1s6a h THR 12 N -0.08 1.27 -0.06 3.16 1.35 -2.00 0.18 112.91 116.72 1s6a h THR 12 Ca 0.28 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 1s6a h THR 12 Cb 0.53 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1s6a h THR 12 CO -0.69 0.42 0.01 0.00 -0.25 0.00 0.00 175.52 175.01 1s6a h ALA 13 N 1.17 0.08 -0.59 6.62 0.00 -1.48 -2.01 119.26 123.05 1s6a h ALA 13 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s6a h ALA 13 Cb 0.68 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1s6a h ALA 13 CO 0.05 -0.29 0.35 0.28 0.00 0.00 0.00 179.25 179.64 1s6a h VAL 14 N -0.13 1.17 -0.11 0.00 2.07 -1.24 0.11 116.25 118.12 1s6a h VAL 14 Ca 0.02 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1s6a h VAL 14 Cb 0.25 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1s6a h VAL 14 CO 0.00 0.18 -0.16 -0.78 0.02 0.00 0.00 177.57 176.83 1s6a h ASP 15 N 0.79 -0.49 -0.31 0.57 3.58 -0.65 -1.53 116.42 118.38 1s6a h ASP 15 Ca 0.21 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 1s6a h ASP 15 Cb -0.02 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1s6a h ASP 15 CO -0.04 -0.21 0.07 0.25 -2.88 0.00 0.00 179.24 176.44 1s6a h LEU 16 N -0.21 0.47 -0.52 2.28 6.46 -1.25 -2.19 115.31 120.36 1s6a h LEU 16 Ca 0.09 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1s6a h LEU 16 Cb 0.33 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1s6a h LEU 16 CO -0.23 0.58 0.30 0.00 -0.62 0.00 0.00 178.44 178.47 1s6a h ALA 17 N 0.91 0.67 -0.32 1.25 0.00 -0.63 -0.98 119.26 120.16 1s6a h ALA 17 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1s6a h ALA 17 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s6a h ALA 17 CO 0.00 -0.01 0.06 0.28 0.00 0.00 0.00 179.25 179.59 1s6a h VAL 18 N 0.59 1.23 -0.10 0.00 2.07 -1.24 0.24 116.25 119.04 1s6a h VAL 18 Ca 0.21 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1s6a h VAL 18 Cb 0.05 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1s6a h VAL 18 CO -0.11 0.26 -0.14 0.44 0.02 0.00 0.00 177.57 178.04 1s6a h ASP 19 N 0.35 -0.43 -0.62 0.57 3.32 -1.20 -1.57 116.42 116.85 1s6a h ASP 19 Ca 0.10 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1s6a h ASP 19 Cb 0.32 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1s6a h ASP 19 CO 0.00 -0.19 0.12 0.11 -1.72 0.00 0.00 179.24 177.57 1s6a h LYS 20 N -0.18 1.02 -0.27 3.56 1.79 -1.07 -2.45 116.57 118.97 1s6a h LYS 20 Ca 0.08 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.34 1s6a h LYS 20 Cb 0.30 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1s6a h LYS 20 CO -0.21 0.94 -0.06 0.35 -1.08 0.00 0.00 179.45 179.39 1s6a h PHE 21 N 0.93 -0.14 -0.01 -1.35 3.57 -0.32 -1.41 116.94 118.21 1s6a h PHE 21 Ca 0.19 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 1s6a h PHE 21 Cb 0.40 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1s6a h PHE 21 CO 0.03 -0.11 -0.51 1.88 -2.23 0.00 0.00 178.31 177.37 1s6a h TYR 22 N 0.00 0.02 -0.40 0.41 0.05 -1.14 0.18 116.97 116.09 1s6a h TYR 22 Ca 0.13 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1s6a h TYR 22 Cb 0.19 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1s6a h TYR 22 CO -0.26 0.52 0.26 0.93 -1.05 0.00 0.00 178.16 178.56 1s6a h GLU 23 N 0.02 0.52 -0.01 4.88 5.08 -1.15 -0.85 114.58 123.08 1s6a h GLU 23 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1s6a h GLU 23 Cb 0.90 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1s6a h GLU 23 CO 0.07 0.36 0.00 -0.09 -1.00 0.00 0.00 179.01 178.34 1s6a h ARG 24 N 0.53 0.01 -0.99 2.33 2.43 -0.75 -3.08 114.38 114.87 1s6a h ARG 24 Ca 0.14 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1s6a h ARG 24 Cb -0.05 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 1s6a h ARG 24 CO -0.03 0.17 0.63 0.28 -1.51 0.00 0.00 179.97 179.52 1s6a h VAL 25 N -0.16 1.00 0.00 0.20 2.07 -0.47 -2.19 116.25 116.71 1s6a h VAL 25 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1s6a h VAL 25 Cb 0.17 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1s6a h VAL 25 CO -0.00 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.71 1s6a h LEU 26 N 1.06 0.00 -2.12 2.57 4.07 -1.15 -1.90 115.31 117.84 1s6a h LEU 26 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1s6a h LEU 26 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1s6a h LEU 26 CO -0.21 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.15 1s6a n GLN 27 N -2.31 2.41 -3.14 1.13 1.13 -0.86 -4.83 117.38 110.91 1s6a n GLN 27 Ca 0.04 -2.10 -0.44 0.00 -1.94 0.00 0.00 57.00 52.57 1s6a n GLN 27 Cb 0.37 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.17 1s6a n GLN 27 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1s6a s ASP 28 N -1.68 6.22 0.66 1.08 -1.08 -0.71 -4.93 116.67 116.22 1s6a s ASP 28 Ca 0.35 -1.00 0.38 0.00 -0.52 0.00 0.00 52.55 51.75 1s6a s ASP 28 Cb 0.22 -2.30 2.06 0.00 -1.46 0.00 0.00 42.92 41.44 1s6a s ASP 28 CO 0.31 -0.95 2.17 0.44 0.52 0.00 0.00 175.17 177.67 1s6a h ASP 29 N 9.04 0.00 0.49 -0.34 5.19 -1.90 0.23 116.42 129.13 1s6a h ASP 29 Ca -0.28 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.04 1s6a h ASP 29 Cb 1.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 1s6a h ASP 29 CO 1.00 0.00 -0.43 0.03 -3.12 0.00 0.00 179.24 176.72 1s6a h ARG 30 N 0.00 0.00 0.00 3.56 3.08 -1.93 -3.40 114.38 115.69 1s6a h ARG 30 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1s6a h ARG 30 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1s6a h ARG 30 CO -0.00 0.43 0.00 0.44 -1.07 0.00 0.00 179.97 179.77 1s6a n ILE 31 N -3.93 0.00 0.18 2.04 -5.35 -0.57 -4.90 119.36 106.83 1s6a n ILE 31 Ca -0.01 -0.01 0.06 0.00 -0.27 0.00 0.00 62.75 62.52 1s6a n ILE 31 Cb 0.47 1.18 0.55 0.00 -1.74 0.00 0.00 39.64 40.10 1s6a n ILE 31 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1s6a h LYS 32 N 0.00 0.15 0.00 6.28 2.10 -1.09 -2.14 116.57 121.87 1s6a h LYS 32 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1s6a h LYS 32 Cb 0.09 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1s6a h LYS 32 CO 0.00 0.13 -0.04 1.12 -2.00 0.00 0.00 179.45 178.67 1s6a h HIS 33 N 0.16 0.00 -0.13 0.07 2.07 -1.88 -1.87 115.15 113.57 1s6a h HIS 33 Ca 0.04 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.60 1s6a h HIS 33 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 1s6a h HIS 33 CO 0.00 0.04 0.13 0.74 -3.07 0.00 0.00 177.93 175.77 1s6a h PHE 34 N 0.00 0.00 -0.46 6.12 0.04 -1.77 -2.28 116.94 118.59 1s6a h PHE 34 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1s6a h PHE 34 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1s6a h PHE 34 CO 0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1s6a n PHE 35 N -3.87 0.61 -0.14 -0.55 3.01 -0.70 -4.60 117.46 111.21 1s6a n PHE 35 Ca 0.00 -0.30 0.01 0.00 1.01 0.00 0.00 57.45 58.17 1s6a n PHE 35 Cb 0.25 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.01 1s6a n PHE 35 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s6a h ALA 36 N 4.31 1.52 -0.29 4.37 0.00 -1.51 -1.95 119.26 125.72 1s6a h ALA 36 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s6a h ALA 36 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1s6a h ALA 36 CO 0.00 0.43 0.00 -0.25 0.00 0.00 0.00 179.25 179.43 1s6a n ASP 37 N -4.43 3.98 -4.76 0.00 8.00 -1.26 -4.98 116.55 113.11 1s6a n ASP 37 Ca 0.06 -2.97 -0.37 0.00 0.71 0.00 0.00 54.79 52.23 1s6a n ASP 37 Cb 0.05 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 1s6a n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s6a s VAL 38 N -2.75 5.28 -0.37 2.53 1.01 -0.73 -5.04 120.40 120.34 1s6a s VAL 38 Ca 0.42 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 1s6a s VAL 38 Cb 0.34 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1s6a s VAL 38 CO 0.10 0.45 1.67 -0.62 0.00 0.00 0.00 175.10 176.70 1s6a s ASP 39 N 0.03 6.02 0.23 3.32 -1.08 -1.26 -4.88 116.67 119.04 1s6a s ASP 39 Ca 0.18 1.11 0.08 0.00 -0.52 0.00 0.00 52.55 53.40 1s6a s ASP 39 Cb -0.13 -2.53 0.19 0.00 -1.46 0.00 0.00 42.92 38.99 1s6a s ASP 39 CO 0.05 -1.64 1.51 0.24 0.52 0.00 0.00 175.17 175.86 1s6a h MET 40 N 12.21 0.05 -0.25 4.34 2.86 -1.96 -1.29 114.93 130.89 1s6a h MET 40 Ca -0.31 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1s6a h MET 40 Cb 1.15 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1s6a h MET 40 CO 1.06 0.75 0.13 0.00 1.06 0.00 0.00 176.91 179.90 1s6a h ALA 41 N 1.24 0.30 -0.44 6.32 0.00 -1.99 0.19 119.26 124.88 1s6a h ALA 41 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1s6a h ALA 41 Cb 1.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1s6a h ALA 41 CO 0.10 -0.27 0.14 0.87 0.00 0.00 0.00 179.25 180.09 1s6a h LYS 42 N 0.27 0.69 -0.33 0.00 1.57 -1.93 -2.47 116.57 114.37 1s6a h LYS 42 Ca 0.10 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1s6a h LYS 42 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1s6a h LYS 42 CO -0.07 0.67 0.18 0.37 -0.57 0.00 0.00 179.45 180.02 1s6a h GLN 43 N 0.58 0.47 -0.65 3.15 5.75 -1.02 0.36 115.11 123.74 1s6a h GLN 43 Ca 0.14 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1s6a h GLN 43 Cb 0.26 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 1s6a h GLN 43 CO -0.00 0.40 0.35 0.00 -2.65 0.00 0.00 178.83 176.93 1s6a h ARG 44 N 0.41 0.63 -0.41 1.69 3.08 -0.60 -0.47 114.38 118.72 1s6a h ARG 44 Ca 0.12 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1s6a h ARG 44 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1s6a h ARG 44 CO -0.02 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 1s6a h ALA 45 N 1.35 0.55 -0.55 0.04 0.00 -1.02 -1.75 119.26 117.88 1s6a h ALA 45 Ca 0.30 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1s6a h ALA 45 Cb 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1s6a h ALA 45 CO -0.19 0.33 0.33 0.45 0.00 0.00 0.00 179.25 180.18 1s6a h HIS 46 N 0.56 0.62 -0.24 0.00 3.86 -0.70 -2.17 115.15 117.08 1s6a h HIS 46 Ca 0.12 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 1s6a h HIS 46 Cb 0.48 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1s6a h HIS 46 CO 0.04 0.36 -0.43 0.37 0.86 0.00 0.00 177.93 179.13 1s6a h GLN 47 N 0.66 0.57 -0.10 2.45 5.75 -0.96 0.25 115.11 123.72 1s6a h GLN 47 Ca 0.22 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1s6a h GLN 47 Cb 0.02 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.57 1s6a h GLN 47 CO -0.09 0.89 0.06 0.87 -2.65 0.00 0.00 178.83 177.91 1s6a h LYS 48 N 0.47 0.14 -0.57 1.69 1.57 -1.29 0.13 116.57 118.70 1s6a h LYS 48 Ca 0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1s6a h LYS 48 Cb 0.93 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1s6a h LYS 48 CO 0.08 0.17 0.35 0.00 -0.57 0.00 0.00 179.45 179.48 1s6a h ALA 49 N 0.97 0.73 -0.27 3.86 0.00 -1.24 -1.13 119.26 122.18 1s6a h ALA 49 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1s6a h ALA 49 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s6a h ALA 49 CO -0.01 0.21 -0.03 0.35 0.00 0.00 0.00 179.25 179.78 1s6a h PHE 50 N 0.78 0.55 -0.00 0.00 3.57 -0.29 -2.05 116.94 119.49 1s6a h PHE 50 Ca 0.21 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1s6a h PHE 50 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1s6a h PHE 50 CO -0.02 0.67 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.11 1s6a h LEU 51 N 0.27 0.02 -0.22 0.59 3.38 -0.75 0.30 115.31 118.90 1s6a h LEU 51 Ca 0.07 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1s6a h LEU 51 Cb 0.47 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1s6a h LEU 51 CO 0.02 0.57 0.08 0.74 0.09 0.00 0.00 178.44 179.94 1s6a h THR 52 N 0.01 0.96 0.18 0.22 2.02 -1.09 0.06 112.91 115.27 1s6a h THR 52 Ca -0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1s6a h THR 52 Cb 0.98 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1s6a h THR 52 CO 0.07 0.04 -0.09 0.22 0.37 0.00 0.00 175.52 176.13 1s6a h TYR 53 N 0.19 -0.24 0.00 3.16 3.20 -0.95 0.29 116.97 122.63 1s6a h TYR 53 Ca 0.10 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1s6a h TYR 53 Cb 0.06 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1s6a h TYR 53 CO -0.11 -0.15 -0.08 0.00 -1.64 0.00 0.00 178.16 176.18 1s6a h ALA 54 N 0.58 1.32 -0.48 1.82 0.00 -0.15 -1.23 119.26 121.12 1s6a h ALA 54 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s6a h ALA 54 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1s6a h ALA 54 CO 0.03 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.57 1s6a n PHE 55 N -3.65 0.64 -0.78 0.00 3.72 -0.01 -4.95 117.46 112.43 1s6a n PHE 55 Ca -0.02 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 1s6a n PHE 55 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1s6a n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s6a n GLY 56 N 1.41 0.59 0.17 1.37 0.00 -0.46 -0.82 105.19 107.45 1s6a n GLY 56 Ca 0.19 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1s6a n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s6a h GLY 57 N 0.00 0.00 -3.15 -0.02 0.00 -0.59 -3.46 103.07 95.85 1s6a h GLY 57 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1s6a h GLY 57 CO 0.00 0.00 -0.39 -0.51 0.00 0.00 0.00 176.54 175.64 1s6a s THR 58 N -3.22 0.15 0.17 4.70 -4.23 -1.21 -4.90 115.64 107.09 1s6a s THR 58 Ca 0.08 -1.23 0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1s6a s THR 58 Cb 0.09 -1.36 -0.11 0.00 1.34 0.00 0.00 72.50 72.45 1s6a s THR 58 CO 0.60 -0.67 1.43 0.44 -0.54 0.00 0.00 174.62 175.89 1s6a h ASP 59 N 2.77 0.00 -4.68 3.99 3.32 -1.90 -3.41 116.42 116.51 1s6a h ASP 59 Ca -0.34 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.46 1s6a h ASP 59 Cb 1.20 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 1s6a h ASP 59 CO 0.57 0.81 -0.72 -0.54 -1.72 0.00 0.00 179.24 177.64 1s6a s LYS 60 N -3.11 0.69 -0.25 3.56 -0.14 -1.26 -5.10 119.74 114.12 1s6a s LYS 60 Ca 0.00 -1.05 -0.09 0.00 -1.36 0.00 0.00 55.97 53.47 1s6a s LYS 60 Cb 0.11 -0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 35.96 1s6a s LYS 60 CO 0.79 0.02 0.13 -0.47 -0.76 0.00 0.00 175.35 175.06 1s6a s TYR 61 N -2.49 3.18 -1.15 3.18 5.04 -1.26 -4.77 117.35 119.08 1s6a s TYR 61 Ca 0.01 -0.09 -0.16 0.00 -2.44 0.00 0.00 57.07 54.39 1s6a s TYR 61 Cb -0.02 -2.28 0.14 0.00 0.35 0.00 0.00 41.96 40.14 1s6a s TYR 61 CO -0.02 -0.18 1.42 0.34 -1.34 0.00 0.00 175.55 175.76 1s6a s ASP 62 N 1.49 6.90 0.00 4.32 2.15 -1.26 -4.87 116.67 125.39 1s6a s ASP 62 Ca 0.06 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.45 1s6a s ASP 62 Cb -0.15 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1s6a s ASP 62 CO 0.06 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1s6a n GLY 63 N 4.81 -0.85 3.81 2.66 0.00 -1.26 -5.04 105.19 109.32 1s6a n GLY 63 Ca 0.36 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1s6a n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6a s ARG 64 N -0.15 3.63 0.66 1.61 0.52 -1.26 -5.03 118.95 118.92 1s6a s ARG 64 Ca 0.00 1.19 -0.16 0.00 -0.52 0.00 0.00 55.73 56.24 1s6a s ARG 64 Cb 0.00 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1s6a s ARG 64 CO 0.00 -0.56 1.18 0.71 0.02 0.00 0.00 175.30 176.65 1s6a s TYR 65 N -2.34 2.33 0.29 -0.53 2.02 -1.26 -4.86 117.35 113.01 1s6a s TYR 65 Ca 0.64 1.56 -0.03 0.00 -0.37 0.00 0.00 57.07 58.87 1s6a s TYR 65 Cb -0.15 -3.39 0.42 0.00 -0.40 0.00 0.00 41.96 38.45 1s6a s TYR 65 CO 0.30 -2.19 1.96 0.52 -1.57 0.00 0.00 175.55 174.56 1s6a h MET 66 N 0.22 1.12 0.12 -0.62 2.86 -1.96 -0.88 114.93 115.80 1s6a h MET 66 Ca -0.48 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.08 1s6a h MET 66 Cb 1.28 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1s6a h MET 66 CO 0.53 0.74 -0.06 -0.09 1.06 0.00 0.00 176.91 179.09 1s6a h ARG 67 N 1.16 -0.16 -0.48 1.72 2.43 -1.90 -2.43 114.38 114.71 1s6a h ARG 67 Ca 0.32 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1s6a h ARG 67 Cb -0.12 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1s6a h ARG 67 CO -0.07 0.08 0.05 1.05 -1.51 0.00 0.00 179.97 179.58 1s6a h GLU 68 N -0.39 0.76 -0.78 0.20 4.11 -1.85 -0.67 114.58 115.96 1s6a h GLU 68 Ca -0.02 -0.18 0.03 0.00 0.07 0.00 0.00 59.36 59.27 1s6a h GLU 68 Cb 0.32 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1s6a h GLU 68 CO 0.03 0.74 0.52 0.00 0.07 0.00 0.00 179.01 180.36 1s6a h ALA 69 N 1.33 1.52 -0.01 1.06 0.00 -1.04 -3.06 119.26 119.06 1s6a h ALA 69 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s6a h ALA 69 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s6a h ALA 69 CO 0.01 0.40 -0.13 0.72 0.00 0.00 0.00 179.25 180.25 1s6a n HIS 70 N -4.45 0.00 -0.15 0.00 8.25 -0.93 -4.71 115.22 113.23 1s6a n HIS 70 Ca 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.54 1s6a n HIS 70 Cb 0.11 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.28 1s6a n HIS 70 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1s6a h LYS 71 N 2.21 0.18 -0.29 -0.41 3.64 -1.01 -1.30 116.57 119.59 1s6a h LYS 71 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1s6a h LYS 71 Cb 0.53 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1s6a h LYS 71 CO 0.00 0.12 -0.06 1.49 -2.27 0.00 0.00 179.45 178.73 1s6a h GLU 72 N 0.18 0.47 -0.46 1.90 4.22 -1.84 -0.77 114.58 118.27 1s6a h GLU 72 Ca 0.25 -0.11 -0.05 0.00 0.08 0.00 0.00 59.36 59.52 1s6a h GLU 72 Cb 0.35 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1s6a h GLU 72 CO -0.36 0.54 0.09 -0.07 -2.18 0.00 0.00 179.01 177.04 1s6a h LEU 73 N 0.44 0.72 -0.32 1.64 3.38 -1.57 -1.07 115.31 118.53 1s6a h LEU 73 Ca 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1s6a h LEU 73 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1s6a h LEU 73 CO 0.02 0.78 0.04 0.58 0.09 0.00 0.00 178.44 179.96 1s6a h VAL 74 N 0.63 1.24 0.06 1.22 2.07 -1.05 -1.22 116.25 119.21 1s6a h VAL 74 Ca 0.14 -0.84 -0.25 0.00 0.82 0.00 0.00 66.70 66.58 1s6a h VAL 74 Cb 0.36 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1s6a h VAL 74 CO 0.01 0.27 -1.08 -0.33 0.02 0.00 0.00 177.57 176.46 1s6a h GLU 75 N 0.35 0.34 0.00 1.57 5.08 -1.12 -3.32 114.58 117.48 1s6a h GLU 75 Ca 0.10 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1s6a h GLU 75 Cb 0.36 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1s6a h GLU 75 CO 0.01 1.15 -1.24 0.09 -1.00 0.00 0.00 179.01 178.02 1s6a n ASN 76 N -3.65 2.33 -0.16 1.42 3.02 -0.41 -4.76 115.26 113.05 1s6a n ASN 76 Ca -0.08 -0.14 0.04 0.00 -0.03 0.00 0.00 54.58 54.37 1s6a n ASN 76 Cb 0.92 1.35 0.05 0.00 -0.61 0.00 0.00 39.78 41.50 1s6a n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1s6a n HIS 77 N -1.71 0.00 -1.21 3.10 8.25 -0.49 -5.02 115.22 118.14 1s6a n HIS 77 Ca -0.01 -0.48 -0.07 0.00 -0.26 0.00 0.00 57.72 56.89 1s6a n HIS 77 Cb 0.23 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1s6a n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s6a n GLY 78 N -0.65 0.92 3.68 -1.41 0.00 -1.09 -4.91 105.19 101.73 1s6a n GLY 78 Ca 0.06 -0.45 -0.46 0.00 0.00 0.00 0.00 46.02 45.17 1s6a n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6a n LEU 79 N -0.84 3.46 0.00 0.99 7.94 -1.01 -4.95 117.00 122.60 1s6a n LEU 79 Ca -0.07 1.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.74 1s6a n LEU 79 Cb 0.30 -1.42 -0.04 0.00 0.53 0.00 0.00 43.42 42.79 1s6a n LEU 79 CO 0.11 -0.08 -0.04 -0.46 -1.11 0.00 0.00 177.39 175.81 1s6a n ASN 80 N 5.58 -0.35 -0.03 1.96 0.23 -1.26 -4.65 115.26 116.74 1s6a n ASN 80 Ca 0.20 -2.02 0.10 0.00 -0.53 0.00 0.00 54.58 52.32 1s6a n ASN 80 Cb 0.31 0.81 0.50 0.00 -2.08 0.00 0.00 39.78 39.32 1s6a n ASN 80 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1s6a h GLY 81 N 0.96 0.51 1.11 4.83 0.00 -1.99 -1.64 103.07 106.84 1s6a h GLY 81 Ca -0.11 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1s6a h GLY 81 CO 0.16 0.12 -0.30 0.83 0.00 0.00 0.00 176.54 177.35 1s6a h GLU 82 N 0.40 0.95 -0.13 4.80 4.39 -1.97 -0.43 114.58 122.59 1s6a h GLU 82 Ca 0.22 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1s6a h GLU 82 Cb 0.35 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1s6a h GLU 82 CO -0.06 1.12 0.07 0.45 -1.16 0.00 0.00 179.01 179.43 1s6a h HIS 83 N 0.78 0.18 -0.50 4.33 3.86 -1.78 -1.87 115.15 120.15 1s6a h HIS 83 Ca 0.08 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.38 1s6a h HIS 83 Cb 0.89 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 29.22 1s6a h HIS 83 CO 0.06 0.21 -0.01 0.35 0.86 0.00 0.00 177.93 179.40 1s6a h PHE 84 N 0.09 -0.05 -0.66 2.45 3.04 -1.23 -1.52 116.94 119.07 1s6a h PHE 84 Ca 0.04 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 1s6a h PHE 84 Cb 0.10 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1s6a h PHE 84 CO -0.04 -0.12 0.15 -0.44 -2.02 0.00 0.00 178.31 175.84 1s6a h ASP 85 N 0.11 0.99 -0.84 0.41 3.32 -0.99 -1.86 116.42 117.56 1s6a h ASP 85 Ca 0.25 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1s6a h ASP 85 Cb 0.38 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1s6a h ASP 85 CO -0.43 0.96 0.53 0.00 -1.72 0.00 0.00 179.24 178.58 1s6a h ALA 86 N 1.17 1.13 -0.29 3.45 0.00 -0.97 0.11 119.26 123.86 1s6a h ALA 86 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1s6a h ALA 86 Cb 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1s6a h ALA 86 CO 0.00 0.32 0.10 0.28 0.00 0.00 0.00 179.25 179.96 1s6a h VAL 87 N 1.00 1.19 -0.51 0.00 2.07 -0.90 0.04 116.25 119.14 1s6a h VAL 87 Ca 0.35 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1s6a h VAL 87 Cb 0.08 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1s6a h VAL 87 CO -0.14 0.20 0.10 0.00 0.02 0.00 0.00 177.57 177.75 1s6a h ALA 88 N 0.94 0.67 -0.61 1.67 0.00 -1.05 -0.07 119.26 120.81 1s6a h ALA 88 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1s6a h ALA 88 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s6a h ALA 88 CO -0.01 0.39 0.26 1.49 0.00 0.00 0.00 179.25 181.38 1s6a h GLU 89 N 0.71 0.90 -0.39 0.00 4.81 -0.69 -0.99 114.58 118.93 1s6a h GLU 89 Ca 0.16 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1s6a h GLU 89 Cb 0.37 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1s6a h GLU 89 CO 0.01 0.76 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.42 1s6a h ASP 90 N 0.84 0.74 -0.20 1.04 3.32 -0.71 0.27 116.42 121.73 1s6a h ASP 90 Ca 0.20 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1s6a h ASP 90 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1s6a h ASP 90 CO -0.02 0.92 0.04 0.25 -1.72 0.00 0.00 179.24 178.71 1s6a h LEU 91 N 0.66 0.30 -0.72 1.55 5.85 -0.66 -2.33 115.31 119.95 1s6a h LEU 91 Ca 0.10 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1s6a h LEU 91 Cb 0.67 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1s6a h LEU 91 CO 0.05 0.47 0.24 -0.07 -0.34 0.00 0.00 178.44 178.79 1s6a h LEU 92 N 0.13 1.04 -0.79 2.25 3.38 -1.08 -2.20 115.31 118.04 1s6a h LEU 92 Ca 0.06 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1s6a h LEU 92 Cb 0.28 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1s6a h LEU 92 CO 0.00 0.96 0.49 0.00 0.09 0.00 0.00 178.44 179.98 1s6a h ALA 93 N 1.12 1.06 -0.03 1.53 0.00 -0.95 -0.69 119.26 121.31 1s6a h ALA 93 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1s6a h ALA 93 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s6a h ALA 93 CO -0.01 0.24 0.01 1.15 0.00 0.00 0.00 179.25 180.65 1s6a h THR 94 N 0.92 1.07 -0.61 0.00 2.02 -1.23 0.14 112.91 115.22 1s6a h THR 94 Ca 0.34 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1s6a h THR 94 Cb 0.11 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1s6a h THR 94 CO -0.15 0.06 0.34 -0.07 0.37 0.00 0.00 175.52 176.07 1s6a h LEU 95 N -0.04 0.75 -0.06 2.58 3.38 -1.17 -1.29 115.31 119.46 1s6a h LEU 95 Ca 0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1s6a h LEU 95 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1s6a h LEU 95 CO -0.00 0.61 -0.06 0.50 0.09 0.00 0.00 178.44 179.59 1s6a h LYS 96 N 0.82 -0.07 -0.53 1.13 1.63 -0.96 -0.62 116.57 117.97 1s6a h LYS 96 Ca 0.21 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.15 1s6a h LYS 96 Cb 0.02 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1s6a h LYS 96 CO -0.04 -0.04 0.38 1.49 -3.45 0.00 0.00 179.45 177.78 1s6a h GLU 97 N -0.07 0.11 -0.00 1.90 4.81 -0.70 0.28 114.58 120.91 1s6a h GLU 97 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1s6a h GLU 97 Cb 0.13 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1s6a h GLU 97 CO -0.10 0.07 -0.06 -1.33 -0.73 0.00 0.00 179.01 176.86 1s6a n MET 98 N -4.42 0.18 -0.36 1.92 2.81 -0.31 -4.90 117.12 112.04 1s6a n MET 98 Ca 0.09 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1s6a n MET 98 Cb 0.53 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1s6a n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s6a n GLY 99 N 1.42 0.81 3.70 3.03 0.00 0.09 -5.04 105.19 109.20 1s6a n GLY 99 Ca 0.10 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s6a n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s6a n VAL 100 N -2.36 0.19 -1.81 1.61 0.31 -0.75 -4.95 118.33 110.56 1s6a n VAL 100 Ca 0.00 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.92 1s6a n VAL 100 Cb 0.00 -2.04 0.04 0.00 -0.91 0.00 0.00 33.84 30.94 1s6a n VAL 100 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s6a s PRO 101 N 1.95 3.07 0.49 5.55 0.02 -1.26 -4.68 135.00 140.15 1s6a s PRO 101 Ca 0.79 2.16 0.16 0.00 0.02 0.00 0.00 61.00 64.13 1s6a s PRO 101 Cb -0.50 -2.18 1.19 0.00 0.02 0.00 0.00 34.50 33.03 1s6a s PRO 101 CO 0.35 -1.22 2.07 0.93 -0.33 0.00 0.00 177.00 178.80 1s6a h GLU 102 N 1.31 0.16 -0.49 5.54 4.39 -1.99 -1.42 114.58 122.08 1s6a h GLU 102 Ca -0.51 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.14 1s6a h GLU 102 Cb 1.30 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1s6a h GLU 102 CO 0.57 0.10 0.12 0.38 -1.16 0.00 0.00 179.01 179.02 1s6a h ASP 103 N 0.16 0.68 -0.11 1.42 2.03 -1.99 -0.46 116.42 118.15 1s6a h ASP 103 Ca 0.13 -0.11 -0.23 0.00 -0.73 0.00 0.00 57.03 56.09 1s6a h ASP 103 Cb 0.32 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1s6a h ASP 103 CO -0.02 0.67 -0.84 -0.07 -1.03 0.00 0.00 179.24 177.95 1s6a h LEU 104 N 0.71 0.94 -0.74 0.15 3.38 -1.64 -1.85 115.31 116.25 1s6a h LEU 104 Ca 0.16 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.53 1s6a h LEU 104 Cb 0.26 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1s6a h LEU 104 CO -0.00 1.45 0.44 0.40 0.09 0.00 0.00 178.44 180.82 1s6a h ILE 105 N 0.50 1.00 -0.55 1.22 2.04 -1.30 0.20 117.51 120.61 1s6a h ILE 105 Ca -0.07 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.59 1s6a h ILE 105 Cb 1.48 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 1s6a h ILE 105 CO 0.17 0.15 0.22 0.00 0.00 0.00 0.00 178.15 178.69 1s6a h ALA 106 N 1.37 0.70 -0.44 1.87 0.00 -1.00 0.30 119.26 122.06 1s6a h ALA 106 Ca 0.33 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1s6a h ALA 106 Cb 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1s6a h ALA 106 CO -0.18 -0.17 0.21 0.93 0.00 0.00 0.00 179.25 180.04 1s6a h GLU 107 N 0.42 0.64 -0.54 0.00 5.08 -0.71 -2.06 114.58 117.41 1s6a h GLU 107 Ca 0.27 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1s6a h GLU 107 Cb 0.28 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1s6a h GLU 107 CO -0.25 0.55 0.14 0.28 -1.00 0.00 0.00 179.01 178.73 1s6a h VAL 108 N 0.57 1.24 -0.82 3.13 2.07 -0.78 -2.53 116.25 119.13 1s6a h VAL 108 Ca 0.15 -0.85 0.15 0.00 0.82 0.00 0.00 66.70 66.97 1s6a h VAL 108 Cb 0.12 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1s6a h VAL 108 CO -0.02 0.31 0.40 0.00 0.02 0.00 0.00 177.57 178.28 1s6a h ALA 109 N 1.01 1.22 -0.61 1.67 0.00 -0.16 -1.14 119.26 121.25 1s6a h ALA 109 Ca 0.17 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1s6a h ALA 109 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1s6a h ALA 109 CO -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.15 1s6a h ALA 110 N 1.56 0.82 0.12 0.00 0.00 -1.21 -0.27 119.26 120.28 1s6a h ALA 110 Ca 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1s6a h ALA 110 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s6a h ALA 110 CO -0.37 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 179.75 1s6a h VAL 111 N 0.97 0.99 0.00 0.00 2.07 -1.02 -2.49 116.25 116.77 1s6a h VAL 111 Ca 0.18 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1s6a h VAL 111 Cb 0.53 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1s6a h VAL 111 CO 0.03 0.11 -0.35 0.00 0.02 0.00 0.00 177.57 177.37 1s6a h ALA 112 N 0.48 1.21 -0.12 1.67 0.00 -1.15 -3.13 119.26 118.23 1s6a h ALA 112 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1s6a h ALA 112 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s6a h ALA 112 CO 0.03 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1s6a n GLY 113 N -0.23 0.89 3.77 0.00 0.00 -0.12 -4.66 105.19 104.84 1s6a n GLY 113 Ca -0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1s6a n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6a s ALA 114 N -1.87 3.50 0.31 4.61 0.00 -0.94 -4.78 121.76 122.60 1s6a s ALA 114 Ca 0.33 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1s6a s ALA 114 Cb 0.21 -3.50 0.74 0.00 0.00 0.00 0.00 23.12 20.57 1s6a s ALA 114 CO 0.31 -0.71 1.80 -1.35 0.00 0.00 0.00 175.76 175.80 1s6a h PRO 115 N 3.30 0.75 0.00 0.00 0.11 -1.92 -0.49 132.00 133.75 1s6a h PRO 115 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1s6a h PRO 115 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1s6a h PRO 115 CO 0.65 0.50 -0.05 0.00 -0.21 0.00 0.00 178.00 178.89 1s6a h ALA 116 N 1.62 1.50 0.00 -0.75 0.00 -1.96 0.61 119.26 120.28 1s6a h ALA 116 Ca 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1s6a h ALA 116 Cb 0.84 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s6a h ALA 116 CO -0.34 0.06 -0.16 1.25 0.00 0.00 0.00 179.25 180.06 1s6a h HIS 117 N 0.00 0.00 -0.41 0.00 -0.00 -1.64 -3.36 115.15 109.73 1s6a h HIS 117 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1s6a h HIS 117 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 1s6a h HIS 117 CO 0.00 0.29 0.13 -0.22 -0.00 0.00 0.00 177.93 178.13 1s6a h LYS 118 N -1.00 0.28 -0.70 5.26 3.64 -0.92 -0.82 116.57 122.31 1s6a h LYS 118 Ca -0.02 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1s6a h LYS 118 Cb 0.37 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1s6a h LYS 118 CO -0.01 0.18 0.20 0.00 -2.27 0.00 0.00 179.45 177.55 1s6a h ARG 119 N 0.28 1.10 0.06 1.90 2.47 -1.11 0.09 114.38 119.18 1s6a h ARG 119 Ca 0.19 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1s6a h ARG 119 Cb 0.20 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1s6a h ARG 119 CO -0.21 0.96 -0.03 -0.44 0.56 0.00 0.00 179.97 180.81 1s6a h ASP 120 N 1.04 -0.07 -0.37 7.04 3.32 -1.65 0.13 116.42 125.85 1s6a h ASP 120 Ca 0.22 -0.47 0.08 0.00 0.02 0.00 0.00 57.03 56.88 1s6a h ASP 120 Cb 0.33 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 1s6a h ASP 120 CO -0.00 0.46 -0.15 0.58 -1.72 0.00 0.00 179.24 178.40 1s6a h VAL 121 N -0.63 0.51 -0.01 -1.35 2.07 -1.09 -0.48 116.25 115.27 1s6a h VAL 121 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1s6a h VAL 121 Cb 0.54 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1s6a h VAL 121 CO 0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1s6a n LEU 122 N -5.34 0.32 -3.40 2.57 4.77 0.01 -4.69 117.00 111.24 1s6a n LEU 122 Ca 0.02 -0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 1s6a n LEU 122 Cb 0.25 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1s6a n LEU 122 CO 0.14 0.06 0.09 0.59 -1.33 0.00 0.00 177.39 176.93 1s6a n ASN 123 N -0.68 -5.64 -0.63 -1.43 5.03 -0.08 -4.97 115.26 106.86 1s6a n ASN 123 Ca 0.20 -0.46 0.13 0.00 0.87 0.00 0.00 54.58 55.32 1s6a n ASN 123 Cb 0.14 -4.52 0.39 0.00 -1.02 0.00 0.00 39.78 34.78 1s6a n ASN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43