#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7s h SER 6 N 0.00 0.00 0.55 1.61 0.02 -2.08 -0.15 113.55 113.50 1n7s h SER 6 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n7s h SER 6 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1n7s h SER 6 CO 0.00 0.02 0.00 0.23 -1.14 0.00 0.00 176.83 175.94 1n7s n MET 7 N -3.71 0.07 -0.32 3.45 0.00 -1.26 -3.31 117.12 112.05 1n7s n MET 7 Ca -0.03 0.17 0.03 0.00 0.00 0.00 0.00 57.70 57.87 1n7s n MET 7 Cb 0.11 -1.50 0.17 0.00 0.00 0.00 0.00 33.22 32.01 1n7s n MET 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1n7s h ARG 8 N 0.00 0.92 -0.67 0.03 2.43 -1.45 0.70 114.38 116.34 1n7s h ARG 8 Ca 0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1n7s h ARG 8 Cb 0.28 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1n7s h ARG 8 CO 0.00 0.61 0.32 -0.91 -1.51 0.00 0.00 179.97 178.47 1n7s h ASN 9 N 0.94 0.89 -0.50 -3.80 2.35 -1.77 -0.73 115.58 112.96 1n7s h ASN 9 Ca 0.41 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.98 1n7s h ASN 9 Cb 0.30 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1n7s h ASN 9 CO -0.22 0.78 0.13 -0.33 -1.65 0.00 0.00 177.43 176.14 1n7s h GLU 10 N 0.94 0.79 -0.51 0.81 4.39 -1.50 -1.78 114.58 117.72 1n7s h GLU 10 Ca 0.23 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1n7s h GLU 10 Cb 0.13 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1n7s h GLU 10 CO -0.03 0.76 0.14 -0.07 -1.16 0.00 0.00 179.01 178.65 1n7s h LEU 11 N 0.68 0.70 -0.55 1.33 3.38 -0.56 -0.81 115.31 119.49 1n7s h LEU 11 Ca 0.16 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1n7s h LEU 11 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1n7s h LEU 11 CO 0.00 0.68 -0.23 -0.08 0.09 0.00 0.00 178.44 178.90 1n7s h GLU 12 N 0.74 0.92 -0.84 1.13 4.57 -0.92 -1.84 114.58 118.34 1n7s h GLU 12 Ca 0.17 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1n7s h GLU 12 Cb 0.25 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1n7s h GLU 12 CO -0.01 1.05 0.49 0.93 -1.18 0.00 0.00 179.01 180.29 1n7s h GLU 13 N 0.79 1.15 -0.63 1.92 5.08 -0.53 -0.44 114.58 121.93 1n7s h GLU 13 Ca 0.10 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1n7s h GLU 13 Cb 0.79 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1n7s h GLU 13 CO 0.07 0.82 0.20 0.52 -1.00 0.00 0.00 179.01 179.62 1n7s h MET 14 N 1.17 0.98 -0.53 2.33 2.86 -0.82 -0.07 114.93 120.86 1n7s h MET 14 Ca 0.30 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1n7s h MET 14 Cb -0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1n7s h MET 14 CO -0.05 0.86 0.05 0.37 1.06 0.00 0.00 176.91 179.20 1n7s h GLN 15 N 0.91 0.90 -0.30 1.72 5.75 -0.81 -0.69 115.11 122.58 1n7s h GLN 15 Ca 0.21 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1n7s h GLN 15 Cb 0.29 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1n7s h GLN 15 CO -0.01 0.90 -0.01 0.00 -2.65 0.00 0.00 178.83 177.06 1n7s h ARG 16 N 0.78 0.46 -0.27 1.69 3.08 -0.68 -0.81 114.38 118.62 1n7s h ARG 16 Ca 0.16 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1n7s h ARG 16 Cb 0.46 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1n7s h ARG 16 CO 0.02 0.50 -0.22 -0.09 -1.07 0.00 0.00 179.97 179.10 1n7s h ARG 17 N 0.44 0.63 -0.50 0.04 9.65 -0.52 0.78 114.38 124.90 1n7s h ARG 17 Ca 0.10 -0.32 -0.01 0.00 -1.10 0.00 0.00 59.98 58.65 1n7s h ARG 17 Cb 0.31 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1n7s h ARG 17 CO 0.01 0.91 0.28 0.00 2.80 0.00 0.00 179.97 183.97 1n7s h ALA 18 N 0.71 0.65 -0.47 2.80 0.00 -0.79 0.10 119.26 122.25 1n7s h ALA 18 Ca 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1n7s h ALA 18 Cb 0.78 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1n7s h ALA 18 CO 0.06 0.16 -0.03 -0.44 0.00 0.00 0.00 179.25 179.00 1n7s h ASP 19 N 0.67 0.77 -0.17 0.00 3.32 -1.05 -1.74 116.42 118.21 1n7s h ASP 19 Ca 0.18 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1n7s h ASP 19 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1n7s h ASP 19 CO -0.03 0.86 0.04 -0.61 -1.72 0.00 0.00 179.24 177.78 1n7s h GLN 20 N 0.74 0.28 -0.37 3.56 5.75 -0.27 -0.35 115.11 124.45 1n7s h GLN 20 Ca 0.14 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1n7s h GLN 20 Cb 0.50 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1n7s h GLN 20 CO 0.03 0.44 0.19 -0.07 -2.65 0.00 0.00 178.83 176.76 1n7s h LEU 21 N 0.08 0.47 -0.68 -2.39 3.38 -0.90 0.12 115.31 115.40 1n7s h LEU 21 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n7s h LEU 21 Cb 0.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1n7s h LEU 21 CO 0.00 0.45 0.43 0.00 0.09 0.00 0.00 178.44 179.41 1n7s h ALA 22 N 1.04 0.86 -0.49 1.53 0.00 -1.22 -0.09 119.26 120.90 1n7s h ALA 22 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1n7s h ALA 22 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1n7s h ALA 22 CO -0.02 0.32 0.01 0.22 0.00 0.00 0.00 179.25 179.78 1n7s h ASP 23 N 0.92 0.84 -0.36 0.00 3.58 -0.71 -1.33 116.42 119.36 1n7s h ASP 23 Ca 0.25 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1n7s h ASP 23 Cb -0.06 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1n7s h ASP 23 CO -0.05 0.93 0.06 -0.33 -2.88 0.00 0.00 179.24 176.97 1n7s h GLU 24 N 0.72 0.69 -0.47 0.28 5.08 -0.39 0.70 114.58 121.19 1n7s h GLU 24 Ca 0.14 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1n7s h GLU 24 Cb 0.50 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1n7s h GLU 24 CO 0.02 0.66 0.07 0.77 -1.00 0.00 0.00 179.01 179.54 1n7s h SER 25 N 0.66 0.75 -0.16 1.42 0.02 -0.72 -0.50 113.55 115.01 1n7s h SER 25 Ca 0.14 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1n7s h SER 25 Cb 0.33 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1n7s h SER 25 CO 0.01 0.83 0.10 0.25 -1.14 0.00 0.00 176.83 176.87 1n7s h LEU 26 N 0.65 0.20 -1.48 5.07 5.85 -0.61 -1.57 115.31 123.43 1n7s h LEU 26 Ca 0.14 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1n7s h LEU 26 Cb 0.40 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1n7s h LEU 26 CO 0.01 0.18 0.25 -0.33 -0.34 0.00 0.00 178.44 178.21 1n7s h GLU 27 N 0.20 0.61 -0.46 1.25 5.08 -0.64 -1.74 114.58 118.87 1n7s h GLU 27 Ca 0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1n7s h GLU 27 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1n7s h GLU 27 CO -0.01 0.44 -0.08 1.03 -1.00 0.00 0.00 179.01 179.39 1n7s h SER 28 N 0.62 0.88 0.24 1.42 0.87 -0.53 -1.66 113.55 115.39 1n7s h SER 28 Ca 0.16 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 1n7s h SER 28 Cb 0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1n7s h SER 28 CO -0.03 1.02 -0.23 0.71 -0.53 0.00 0.00 176.83 177.77 1n7s h THR 29 N 0.72 1.15 -0.20 2.23 1.35 -0.48 0.53 112.91 118.21 1n7s h THR 29 Ca 0.12 -0.80 -0.16 0.00 -0.55 0.00 0.00 66.41 65.02 1n7s h THR 29 Cb 0.62 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1n7s h THR 29 CO 0.04 0.23 -0.54 0.03 -0.25 0.00 0.00 175.52 175.03 1n7s h ARG 30 N 0.00 0.60 -0.25 4.72 3.08 -0.90 -2.08 114.38 119.55 1n7s h ARG 30 Ca -0.00 -0.38 -0.12 0.00 0.07 0.00 0.00 59.98 59.55 1n7s h ARG 30 Cb 0.41 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1n7s h ARG 30 CO 0.03 0.99 -0.35 0.00 -1.07 0.00 0.00 179.97 179.57 1n7s h ARG 31 N 0.47 0.54 -0.44 0.04 3.08 -0.47 -2.53 114.38 115.06 1n7s h ARG 31 Ca 0.01 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1n7s h ARG 31 Cb 1.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1n7s h ARG 31 CO 0.11 0.81 0.29 0.52 -1.07 0.00 0.00 179.97 180.62 1n7s h MET 32 N 0.45 0.57 -0.78 0.04 2.86 -0.65 0.07 114.93 117.49 1n7s h MET 32 Ca 0.05 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1n7s h MET 32 Cb 0.82 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1n7s h MET 32 CO 0.07 0.38 0.51 -0.07 1.06 0.00 0.00 176.91 178.85 1n7s h LEU 33 N 0.59 0.90 -0.61 1.22 3.38 -1.17 0.32 115.31 119.94 1n7s h LEU 33 Ca 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1n7s h LEU 33 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1n7s h LEU 33 CO -0.04 0.66 0.25 -0.61 0.09 0.00 0.00 178.44 178.78 1n7s h GLN 34 N 1.05 0.90 -0.41 1.13 4.15 -0.99 -0.97 115.11 119.97 1n7s h GLN 34 Ca 0.28 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 1n7s h GLN 34 Cb -0.11 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1n7s h GLN 34 CO -0.06 0.76 0.08 -0.07 -1.93 0.00 0.00 178.83 177.61 1n7s h LEU 35 N 0.84 0.65 -0.73 -2.39 3.38 -0.41 -1.73 115.31 114.92 1n7s h LEU 35 Ca 0.20 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1n7s h LEU 35 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1n7s h LEU 35 CO -0.02 0.74 -0.58 -0.37 0.09 0.00 0.00 178.44 178.30 1n7s h VAL 36 N 0.54 1.31 -0.44 1.22 -1.51 -0.86 -0.77 116.25 115.74 1n7s h VAL 36 Ca 0.13 -2.07 -0.12 0.00 -1.23 0.00 0.00 66.70 63.40 1n7s h VAL 36 Cb 0.36 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1n7s h VAL 36 CO 0.01 0.57 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.37 1n7s h GLU 37 N 0.00 0.92 -0.39 5.19 4.39 -1.02 0.61 114.58 124.28 1n7s h GLU 37 Ca -0.01 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.18 1n7s h GLU 37 Cb 1.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1n7s h GLU 37 CO 0.08 1.06 -0.20 1.49 -1.16 0.00 0.00 179.01 180.28 1n7s h GLU 38 N 0.75 0.75 -0.72 2.33 4.81 -1.18 -1.45 114.58 119.85 1n7s h GLU 38 Ca 0.10 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1n7s h GLU 38 Cb 0.79 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1n7s h GLU 38 CO 0.06 0.89 0.24 0.77 -0.73 0.00 0.00 179.01 180.24 1n7s h SER 39 N 0.66 1.04 -0.54 1.04 0.02 -0.89 -1.08 113.55 113.80 1n7s h SER 39 Ca 0.10 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1n7s h SER 39 Cb 0.69 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1n7s h SER 39 CO 0.05 0.97 0.08 0.50 -1.14 0.00 0.00 176.83 177.29 1n7s h LYS 40 N 1.07 0.91 -0.80 3.45 3.64 -0.57 0.17 116.57 124.43 1n7s h LYS 40 Ca 0.24 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1n7s h LYS 40 Cb 0.29 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1n7s h LYS 40 CO -0.01 0.88 0.51 -0.44 -2.27 0.00 0.00 179.45 178.12 1n7s h ASP 41 N 0.79 0.93 -0.53 4.20 3.32 -0.91 0.11 116.42 124.34 1n7s h ASP 41 Ca 0.16 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1n7s h ASP 41 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1n7s h ASP 41 CO 0.01 0.69 0.12 0.00 -1.72 0.00 0.00 179.24 178.34 1n7s h ALA 42 N 1.28 0.71 -0.81 3.45 0.00 -0.80 -1.50 119.26 121.58 1n7s h ALA 42 Ca 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1n7s h ALA 42 Cb -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1n7s h ALA 42 CO -0.06 0.42 0.33 0.78 0.00 0.00 0.00 179.25 180.72 1n7s h GLY 43 N 0.76 1.29 0.88 0.00 0.00 -0.35 -0.63 103.07 105.02 1n7s h GLY 43 Ca 0.17 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1n7s h GLY 43 CO 0.00 0.66 0.05 -2.22 0.00 0.00 0.00 176.54 175.03 1n7s h ILE 44 N 1.17 1.13 -0.95 2.60 2.04 -0.79 -1.04 117.51 121.67 1n7s h ILE 44 Ca 0.27 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1n7s h ILE 44 Cb 0.21 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1n7s h ILE 44 CO -0.02 0.11 0.62 0.03 0.00 0.00 0.00 178.15 178.89 1n7s h ARG 45 N 0.03 1.16 -0.45 2.37 3.08 -0.99 -0.82 114.38 118.75 1n7s h ARG 45 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1n7s h ARG 45 Cb 0.14 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1n7s h ARG 45 CO -0.00 0.77 0.20 1.15 -1.07 0.00 0.00 179.97 181.02 1n7s h THR 46 N 1.19 1.19 -0.33 2.04 2.02 -0.67 -0.73 112.91 117.62 1n7s h THR 46 Ca 0.38 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 1n7s h THR 46 Cb 0.01 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1n7s h THR 46 CO -0.12 0.22 -0.31 -0.07 0.37 0.00 0.00 175.52 175.61 1n7s h LEU 47 N 0.59 0.74 -0.53 2.58 3.38 -0.69 0.80 115.31 122.18 1n7s h LEU 47 Ca 0.15 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1n7s h LEU 47 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1n7s h LEU 47 CO -0.02 0.99 0.27 0.58 0.09 0.00 0.00 178.44 180.36 1n7s h VAL 48 N 0.60 1.19 -0.38 1.22 2.07 -0.96 -1.11 116.25 118.88 1n7s h VAL 48 Ca 0.07 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1n7s h VAL 48 Cb 0.82 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1n7s h VAL 48 CO 0.07 0.21 -0.36 0.24 0.02 0.00 0.00 177.57 177.74 1n7s h MET 49 N 0.70 0.92 -0.45 1.57 2.86 -0.89 -2.33 114.93 117.32 1n7s h MET 49 Ca 0.18 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 1n7s h MET 49 Cb 0.09 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1n7s h MET 49 CO -0.03 1.13 0.12 -0.07 1.06 0.00 0.00 176.91 179.13 1n7s h LEU 50 N 0.74 0.61 -0.14 1.22 3.38 -0.64 0.94 115.31 121.43 1n7s h LEU 50 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1n7s h LEU 50 Cb 0.96 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1n7s h LEU 50 CO 0.09 0.60 0.03 -0.78 0.09 0.00 0.00 178.44 178.47 1n7s h ASP 51 N 0.65 0.21 -0.25 -0.43 1.82 -1.04 0.25 116.42 117.64 1n7s h ASP 51 Ca 0.15 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1n7s h ASP 51 Cb 0.22 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1n7s h ASP 51 CO -0.01 0.39 0.14 -0.08 -1.61 0.00 0.00 179.24 178.07 1n7s h GLU 52 N 0.02 0.35 -0.38 0.28 4.81 -1.10 -2.45 114.58 116.10 1n7s h GLU 52 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1n7s h GLU 52 Cb 0.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1n7s h GLU 52 CO 0.00 0.31 0.07 1.96 -0.73 0.00 0.00 179.01 180.63 1n7s h GLN 53 N 0.29 0.57 -0.44 1.92 4.20 -0.74 -1.79 115.11 119.13 1n7s h GLN 53 Ca 0.09 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1n7s h GLN 53 Cb 0.07 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1n7s h GLN 53 CO -0.01 0.54 -0.02 0.78 -0.67 0.00 0.00 178.83 179.45 1n7s h GLY 54 N 0.81 0.78 1.27 3.46 0.00 -0.59 0.57 103.07 109.37 1n7s h GLY 54 Ca 0.13 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1n7s h GLY 54 CO -0.00 0.48 -0.27 0.83 0.00 0.00 0.00 176.54 177.58 1n7s h GLU 55 N 0.67 0.82 -0.43 4.80 4.39 -0.94 -1.46 114.58 122.44 1n7s h GLU 55 Ca 0.13 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 1n7s h GLU 55 Cb 0.45 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1n7s h GLU 55 CO 0.02 1.00 0.15 1.96 -1.16 0.00 0.00 179.01 180.97 1n7s h GLN 56 N 0.70 0.67 -0.54 2.33 4.20 -0.72 -2.13 115.11 119.62 1n7s h GLN 56 Ca 0.09 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1n7s h GLN 56 Cb 0.81 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1n7s h GLN 56 CO 0.07 0.64 0.21 -0.07 -0.67 0.00 0.00 178.83 179.01 1n7s h LEU 57 N 0.56 0.71 -0.69 1.46 3.38 -0.72 -0.07 115.31 119.93 1n7s h LEU 57 Ca 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1n7s h LEU 57 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1n7s h LEU 57 CO -0.01 0.64 0.33 0.44 0.09 0.00 0.00 178.44 179.93 1n7s h ASP 58 N 0.77 0.90 -0.10 -0.43 3.32 -0.96 0.21 116.42 120.14 1n7s h ASP 58 Ca 0.18 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1n7s h ASP 58 Cb 0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1n7s h ASP 58 CO -0.02 0.78 -0.26 0.03 -1.72 0.00 0.00 179.24 178.06 1n7s h ARG 59 N 0.96 0.55 -0.40 3.56 3.08 -0.70 -1.07 114.38 120.36 1n7s h ARG 59 Ca 0.24 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1n7s h ARG 59 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1n7s h ARG 59 CO -0.03 0.76 0.08 0.28 -1.07 0.00 0.00 179.97 179.99 1n7s h VAL 60 N 0.48 1.23 -0.64 2.04 2.07 -0.51 -0.27 116.25 120.65 1n7s h VAL 60 Ca 0.07 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1n7s h VAL 60 Cb 0.70 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1n7s h VAL 60 CO 0.05 0.28 0.13 -0.08 0.02 0.00 0.00 177.57 177.98 1n7s h GLU 61 N 0.50 1.03 -0.89 1.57 4.81 -0.71 0.28 114.58 121.18 1n7s h GLU 61 Ca 0.12 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1n7s h GLU 61 Cb 0.34 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1n7s h GLU 61 CO 0.00 0.93 0.47 0.93 -0.73 0.00 0.00 179.01 180.61 1n7s h GLU 62 N 0.98 1.25 -0.61 1.92 5.08 -0.96 -0.80 114.58 121.44 1n7s h GLU 62 Ca 0.20 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1n7s h GLU 62 Cb 0.38 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1n7s h GLU 62 CO 0.01 0.93 0.25 0.78 -1.00 0.00 0.00 179.01 179.98 1n7s h GLY 63 N 1.25 0.98 1.02 -3.84 0.00 -0.17 -0.36 103.07 101.95 1n7s h GLY 63 Ca 0.31 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1n7s h GLY 63 CO -0.05 0.50 0.56 -0.33 0.00 0.00 0.00 176.54 177.22 1n7s h MET 64 N 0.85 1.27 -0.62 4.80 2.86 -0.30 -0.56 114.93 123.24 1n7s h MET 64 Ca 0.21 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1n7s h MET 64 Cb 0.19 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1n7s h MET 64 CO -0.02 0.89 0.16 -0.91 1.06 0.00 0.00 176.91 178.10 1n7s h ASN 65 N 1.29 0.93 -0.35 1.22 2.35 -0.65 -1.24 115.58 119.14 1n7s h ASN 65 Ca 0.33 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1n7s h ASN 65 Cb -0.05 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1n7s h ASN 65 CO -0.06 0.92 0.14 -0.74 -1.65 0.00 0.00 177.43 176.03 1n7s h HIS 66 N 0.91 0.54 -0.54 1.19 2.76 -0.56 -1.75 115.15 117.70 1n7s h HIS 66 Ca 0.20 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1n7s h HIS 66 Cb 0.34 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1n7s h HIS 66 CO 0.02 0.50 0.30 0.82 -1.30 0.00 0.00 177.93 178.28 1n7s h ILE 67 N 0.42 1.18 -0.16 6.26 2.04 -0.97 -0.73 117.51 125.54 1n7s h ILE 67 Ca 0.12 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1n7s h ILE 67 Cb 0.19 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1n7s h ILE 67 CO -0.01 0.19 -0.08 -1.13 0.00 0.00 0.00 178.15 177.12 1n7s h ASN 68 N 0.72 -0.27 -0.17 1.72 -1.24 -0.98 0.16 115.58 115.52 1n7s h ASN 68 Ca 0.19 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 1n7s h ASN 68 Cb 0.03 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1n7s h ASN 68 CO -0.03 -0.11 0.11 -0.61 -1.29 0.00 0.00 177.43 175.50 1n7s h GLN 69 N -0.07 0.23 -0.62 6.67 4.15 -1.04 -2.13 115.11 122.30 1n7s h GLN 69 Ca 0.09 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1n7s h GLN 69 Cb 0.20 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1n7s h GLN 69 CO -0.21 0.18 0.18 -0.44 -1.93 0.00 0.00 178.83 176.61 1n7s h ASP 70 N 0.21 0.88 0.51 -0.69 3.32 -0.81 -2.52 116.42 117.32 1n7s h ASP 70 Ca 0.06 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1n7s h ASP 70 Cb 0.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1n7s h ASP 70 CO -0.01 0.84 -0.35 0.24 -1.72 0.00 0.00 179.24 178.24 1n7s h MET 71 N 0.91 0.00 -0.66 3.56 2.86 -0.44 0.33 114.93 121.49 1n7s h MET 71 Ca 0.20 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1n7s h MET 71 Cb 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1n7s h MET 71 CO -0.01 0.35 0.15 0.87 1.06 0.00 0.00 176.91 179.33 1n7s h LYS 72 N 0.00 1.07 -0.31 1.72 1.57 -0.95 0.06 116.57 119.73 1n7s h LYS 72 Ca -0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1n7s h LYS 72 Cb 0.70 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1n7s h LYS 72 CO 0.05 0.97 -0.18 1.49 -0.57 0.00 0.00 179.45 181.20 1n7s h GLU 73 N 1.00 0.66 -0.74 3.15 4.57 -1.22 -2.20 114.58 119.81 1n7s h GLU 73 Ca 0.21 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1n7s h GLU 73 Cb 0.39 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1n7s h GLU 73 CO 0.01 0.90 0.46 0.00 -1.18 0.00 0.00 179.01 179.20 1n7s h ALA 74 N 0.75 0.94 -0.76 2.92 0.00 -0.67 -0.98 119.26 121.46 1n7s h ALA 74 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1n7s h ALA 74 Cb 0.72 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n7s h ALA 74 CO 0.05 0.39 0.40 1.49 0.00 0.00 0.00 179.25 181.58 1n7s h GLU 75 N 1.01 1.07 -0.31 0.00 4.57 -0.88 0.80 114.58 120.84 1n7s h GLU 75 Ca 0.27 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1n7s h GLU 75 Cb -0.07 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.30 1n7s h GLU 75 CO -0.05 0.81 0.18 -0.22 -1.18 0.00 0.00 179.01 178.54 1n7s h LYS 76 N 1.06 0.35 -0.44 1.92 3.64 -0.78 -0.48 116.57 121.84 1n7s h LYS 76 Ca 0.27 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1n7s h LYS 76 Cb 0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1n7s h LYS 76 CO -0.04 0.23 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.37 1n7s h ASN 77 N 0.36 0.76 -0.27 4.20 2.35 -0.68 -0.86 115.58 121.43 1n7s h ASN 77 Ca 0.12 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 1n7s h ASN 77 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1n7s h ASN 77 CO -0.06 0.88 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.28 1n7s h LEU 78 N 0.70 0.78 -0.66 1.61 3.38 -0.47 -0.55 115.31 120.10 1n7s h LEU 78 Ca 0.12 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1n7s h LEU 78 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n7s h LEU 78 CO 0.04 1.00 -0.29 0.11 0.09 0.00 0.00 178.44 179.38 1n7s h LYS 79 N 0.66 0.73 -0.58 1.13 1.57 -0.88 -1.28 116.57 117.91 1n7s h LYS 79 Ca 0.08 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1n7s h LYS 79 Cb 0.77 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1n7s h LYS 79 CO 0.06 0.93 0.27 0.22 -0.57 0.00 0.00 179.45 180.37 1n7s h ASP 80 N 0.62 0.77 0.20 0.86 3.58 -0.85 -2.57 116.42 119.04 1n7s h ASP 80 Ca 0.07 -0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.30 1n7s h ASP 80 Cb 0.81 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1n7s h ASP 80 CO 0.07 0.69 -0.35 0.25 -2.88 0.00 0.00 179.24 177.02 1n7s h LEU 81 N 0.79 0.22 -0.81 2.28 5.85 -0.87 -3.10 115.31 119.66 1n7s h LEU 81 Ca 0.20 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1n7s h LEU 81 Cb 0.13 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1n7s h LEU 81 CO -0.02 0.56 -0.06 1.23 -0.34 0.00 0.00 178.44 179.81 1n7s h GLY 82 N 1.12 0.00 0.00 3.75 0.00 -0.84 -3.51 103.07 103.59 1n7s h GLY 82 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1n7s h GLY 82 CO 0.05 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.76