#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 h THR 2 N 0.00 0.74 -0.19 1.12 1.03 -2.01 -3.45 112.91 110.16 1ni7 h THR 2 Ca 0.00 -0.07 0.22 0.00 -0.01 0.00 0.00 66.41 66.55 1ni7 h THR 2 Cb 0.00 0.79 -0.18 0.00 -1.07 0.00 0.00 68.15 67.68 1ni7 h THR 2 CO 0.00 0.02 0.01 0.21 -0.01 0.00 0.00 175.52 175.74 1ni7 s ASN 3 N -4.90 -0.31 0.11 0.00 3.84 -1.26 -5.04 114.94 107.38 1ni7 s ASN 3 Ca -0.15 0.02 -0.09 0.00 0.21 0.00 0.00 52.86 52.85 1ni7 s ASN 3 Cb 0.05 1.12 -0.14 0.00 -0.55 0.00 0.00 41.25 41.73 1ni7 s ASN 3 CO 0.64 -0.05 1.28 1.55 -2.79 0.00 0.00 177.10 177.73 1ni7 h PRO 4 N 7.02 0.60 -2.30 0.43 0.13 -1.90 -3.42 132.00 132.55 1ni7 h PRO 4 Ca -0.09 -0.59 -0.31 0.00 -0.87 0.00 0.00 66.00 64.14 1ni7 h PRO 4 Cb 1.18 0.15 -0.34 0.00 0.13 0.00 0.00 31.00 32.12 1ni7 h PRO 4 CO -0.11 1.20 -0.62 -1.14 -0.23 0.00 0.00 178.00 177.10 1ni7 s GLN 5 N -3.44 0.27 0.78 0.86 0.74 -1.26 -5.12 119.66 112.49 1ni7 s GLN 5 Ca -0.08 0.06 -0.14 0.00 0.05 0.00 0.00 55.36 55.25 1ni7 s GLN 5 Cb 0.08 -0.89 0.04 0.00 1.10 0.00 0.00 33.01 33.35 1ni7 s GLN 5 CO 0.89 -0.83 1.01 0.34 -0.55 0.00 0.00 175.29 176.15 1ni7 n PHE 6 N 5.32 0.69 -4.90 1.67 7.35 -1.26 -4.91 117.46 121.42 1ni7 n PHE 6 Ca -0.04 0.38 -0.33 0.00 -0.76 0.00 0.00 57.45 56.71 1ni7 n PHE 6 Cb 0.48 -2.06 -0.14 0.00 0.35 0.00 0.00 39.48 38.11 1ni7 n PHE 6 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ni7 s ALA 7 N -2.02 2.58 0.29 3.13 0.00 -1.26 -5.01 121.76 119.46 1ni7 s ALA 7 Ca 0.71 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1ni7 s ALA 7 Cb -0.31 -1.03 0.59 0.00 0.00 0.00 0.00 23.12 22.37 1ni7 s ALA 7 CO 0.52 0.41 1.58 0.78 0.00 0.00 0.00 175.76 179.05 1ni7 h GLY 8 N 6.03 0.99 -4.71 0.00 0.00 -2.00 -3.46 103.07 99.91 1ni7 h GLY 8 Ca -0.35 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1ni7 h GLY 8 CO 0.52 -0.43 -0.09 1.42 0.00 0.00 0.00 176.54 177.96 1ni7 n HIS 9 N -5.51 -2.09 0.18 5.60 8.25 -1.26 -4.93 115.22 115.45 1ni7 n HIS 9 Ca 0.19 0.79 0.05 0.00 -0.26 0.00 0.00 57.72 58.49 1ni7 n HIS 9 Cb 0.62 -3.43 0.24 0.00 1.12 0.00 0.00 29.99 28.54 1ni7 n HIS 9 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ni7 h PRO 10 N 0.16 0.00 -6.40 -0.41 0.13 -1.94 -3.39 132.00 120.16 1ni7 h PRO 10 Ca -0.07 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.52 1ni7 h PRO 10 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1ni7 h PRO 10 CO 0.23 0.40 0.86 -0.59 -0.23 0.00 0.00 178.00 178.67 1ni7 s PHE 11 N -3.36 2.79 0.00 1.56 -0.12 -1.26 0.11 117.98 117.69 1ni7 s PHE 11 Ca 0.02 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 57.61 1ni7 s PHE 11 Cb 0.09 -3.73 0.00 0.00 -0.63 0.00 0.00 43.02 38.75 1ni7 s PHE 11 CO 0.70 -2.77 0.00 0.41 -0.05 0.00 0.00 175.22 173.51 1ni7 n GLY 12 N 3.71 2.56 0.00 1.99 0.00 -0.40 -4.72 105.19 108.34 1ni7 n GLY 12 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ni7 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ni7 n THR 13 N 0.00 0.00 0.81 2.61 -1.04 -1.04 -4.50 114.28 111.13 1ni7 n THR 13 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1ni7 n THR 13 Cb 0.00 -0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 68.40 1ni7 n THR 13 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ni7 n THR 14 N -0.57 0.00 -3.29 12.58 -1.04 -0.65 -4.60 114.28 116.71 1ni7 n THR 14 Ca 0.00 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.05 61.48 1ni7 n THR 14 Cb 0.00 1.19 -0.08 0.00 -1.82 0.00 0.00 70.33 69.62 1ni7 n THR 14 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ni7 n VAL 15 N -0.25 0.25 -2.79 12.58 0.31 0.29 -4.88 118.33 123.85 1ni7 n VAL 15 Ca 0.07 -4.37 0.00 0.00 -0.01 0.00 0.00 64.34 60.03 1ni7 n VAL 15 Cb 0.37 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1ni7 n VAL 15 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ni7 n THR 16 N 1.33 0.00 -0.13 2.52 5.66 -1.26 -1.27 114.28 121.13 1ni7 n THR 16 Ca 0.24 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.14 1ni7 n THR 16 Cb 0.49 -0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 68.26 1ni7 n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ni7 h ALA 17 N 0.17 0.49 0.72 1.79 0.00 -1.91 0.21 119.26 120.74 1ni7 h ALA 17 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ni7 h ALA 17 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ni7 h ALA 17 CO 0.00 0.24 -0.35 1.49 0.00 0.00 0.00 179.25 180.63 1ni7 h GLU 18 N 0.46 -0.93 -0.87 0.00 4.81 -1.97 0.13 114.58 116.20 1ni7 h GLU 18 Ca 0.11 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.56 1ni7 h GLU 18 Cb 0.42 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 1ni7 h GLU 18 CO 0.01 -0.62 0.57 1.15 -0.73 0.00 0.00 179.01 179.39 1ni7 h THR 19 N -1.11 0.78 0.63 0.32 2.02 -1.90 1.27 112.91 114.93 1ni7 h THR 19 Ca -0.10 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1ni7 h THR 19 Cb 0.74 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ni7 h THR 19 CO 0.16 0.10 -0.30 -0.07 0.37 0.00 0.00 175.52 175.78 1ni7 h LEU 20 N 0.57 -0.72 -1.88 2.58 3.38 -0.40 -1.94 115.31 116.91 1ni7 h LEU 20 Ca 0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1ni7 h LEU 20 Cb 0.86 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ni7 h LEU 20 CO -0.19 -0.40 -0.13 0.08 0.09 0.00 0.00 178.44 177.90 1ni7 h ARG 21 N -1.05 0.00 -0.65 1.13 0.11 0.19 -1.74 114.38 112.38 1ni7 h ARG 21 Ca -0.09 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.94 1ni7 h ARG 21 Cb 0.70 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.75 1ni7 h ARG 21 CO 0.14 0.13 0.19 -0.97 0.10 0.00 0.00 179.97 179.56 1ni7 h ASN 22 N 0.00 0.93 1.32 0.08 -0.73 0.19 1.00 115.58 118.37 1ni7 h ASN 22 Ca -0.00 -0.17 -0.09 0.00 1.87 0.00 0.00 56.30 57.91 1ni7 h ASN 22 Cb 0.34 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 1ni7 h ASN 22 CO 0.02 0.88 -0.44 0.74 -0.37 0.00 0.00 177.43 178.25 1ni7 h THR 23 N 0.96 0.82 0.00 -3.57 2.02 -0.54 -3.15 112.91 109.44 1ni7 h THR 23 Ca 0.21 -1.96 -0.12 0.00 0.77 0.00 0.00 66.41 65.31 1ni7 h THR 23 Cb 0.29 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1ni7 h THR 23 CO -0.01 0.43 -1.03 -0.26 0.37 0.00 0.00 175.52 175.03 1ni7 h PHE 24 N 0.00 0.00 -0.99 3.16 0.04 -0.81 -3.31 116.94 115.03 1ni7 h PHE 24 Ca -0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.94 1ni7 h PHE 24 Cb 1.22 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.20 1ni7 h PHE 24 CO 0.00 0.46 -0.31 0.00 -0.60 0.00 0.00 178.31 177.86 1ni7 h ALA 25 N 1.54 0.43 -0.02 2.45 0.00 0.11 0.29 119.26 124.06 1ni7 h ALA 25 Ca -0.09 0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1ni7 h ALA 25 Cb 1.43 0.87 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1ni7 h ALA 25 CO 0.04 -0.49 -0.26 -1.00 0.00 0.00 0.00 179.25 177.55 1ni7 h PRO 26 N -0.00 0.20 -5.14 0.00 0.13 -1.75 -3.42 132.00 122.02 1ni7 h PRO 26 Ca 0.42 -0.20 -0.35 0.00 -0.87 0.00 0.00 66.00 64.99 1ni7 h PRO 26 Cb 0.67 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.77 1ni7 h PRO 26 CO -1.00 0.90 1.56 1.28 -0.23 0.00 0.00 178.00 180.50 1ni7 n LEU 27 N -4.50 0.11 0.11 1.56 4.77 0.09 -4.66 117.00 114.48 1ni7 n LEU 27 Ca -0.09 -0.49 0.05 0.00 -0.03 0.00 0.00 56.01 55.45 1ni7 n LEU 27 Cb 0.49 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1ni7 n LEU 27 CO 0.40 -1.45 0.16 0.74 -1.33 0.00 0.00 177.39 175.91 1ni7 h THR 28 N 7.51 0.46 -3.63 -5.08 2.02 -1.83 -3.44 112.91 108.92 1ni7 h THR 28 Ca -0.03 -1.75 -0.60 0.00 0.77 0.00 0.00 66.41 64.81 1ni7 h THR 28 Cb 1.18 2.05 -0.10 0.00 -1.74 0.00 0.00 68.15 69.54 1ni7 h THR 28 CO 1.39 0.26 0.58 -1.10 0.37 0.00 0.00 175.52 177.02 1ni7 s GLN 29 N -3.06 3.59 0.27 6.66 1.11 -1.26 -4.90 119.66 122.07 1ni7 s GLN 29 Ca 0.01 0.24 -0.03 0.00 0.01 0.00 0.00 55.36 55.59 1ni7 s GLN 29 Cb 0.08 -3.90 0.58 0.00 -1.01 0.00 0.00 33.01 28.76 1ni7 s GLN 29 CO 0.77 -1.17 1.63 2.35 0.01 0.00 0.00 175.29 178.88 1ni7 h TRP 30 N 8.96 0.09 -1.36 0.91 2.91 -2.01 1.55 115.95 127.00 1ni7 h TRP 30 Ca -0.24 0.06 0.39 0.00 1.13 0.00 0.00 58.89 60.23 1ni7 h TRP 30 Cb 1.08 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 1ni7 h TRP 30 CO 0.86 -0.26 1.19 1.49 -1.03 0.00 0.00 178.44 180.70 1ni7 h GLU 31 N 0.13 0.00 0.58 2.65 4.81 -1.98 0.69 114.58 121.46 1ni7 h GLU 31 Ca 0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.69 1ni7 h GLU 31 Cb 0.93 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1ni7 h GLU 31 CO -0.70 0.00 -0.28 -0.44 -0.73 0.00 0.00 179.01 176.86 1ni7 h ASP 32 N 0.00 -0.66 -0.60 1.04 3.32 0.19 0.45 116.42 120.15 1ni7 h ASP 32 Ca 0.64 -0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.77 1ni7 h ASP 32 Cb 3.02 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 42.63 1ni7 h ASP 32 CO -0.01 -0.32 -0.25 0.11 -1.72 0.00 0.00 179.24 177.05 1ni7 h LYS 33 N -1.03 -0.09 0.00 3.56 1.57 0.31 1.78 116.57 122.67 1ni7 h LYS 33 Ca -0.08 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1ni7 h LYS 33 Cb 0.66 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1ni7 h LYS 33 CO 0.13 -0.06 -0.27 -0.92 -0.57 0.00 0.00 179.45 177.76 1ni7 h TYR 34 N -0.10 0.00 0.21 -1.35 5.03 -1.41 0.80 116.97 120.15 1ni7 h TYR 34 Ca 0.27 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1ni7 h TYR 34 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1ni7 h TYR 34 CO -0.58 0.27 -0.10 0.00 -1.32 0.00 0.00 178.16 176.44 1ni7 h ARG 35 N 0.00 -0.27 -0.83 1.82 3.08 0.52 -3.20 114.38 115.51 1ni7 h ARG 35 Ca -0.00 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.21 1ni7 h ARG 35 Cb 0.49 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 1ni7 h ARG 35 CO 0.04 -0.18 0.54 0.37 -1.07 0.00 0.00 179.97 179.67 1ni7 h GLN 36 N -0.88 0.56 -0.52 0.04 4.15 0.23 0.39 115.11 119.08 1ni7 h GLN 36 Ca -0.03 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.49 1ni7 h GLN 36 Cb 0.21 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1ni7 h GLN 36 CO 0.05 0.37 0.37 -0.07 -1.93 0.00 0.00 178.83 177.61 1ni7 h LEU 37 N 0.58 0.11 0.17 -2.39 3.38 -0.92 0.11 115.31 116.35 1ni7 h LEU 37 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1ni7 h LEU 37 Cb 0.76 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ni7 h LEU 37 CO -0.16 0.06 -0.08 0.40 0.09 0.00 0.00 178.44 178.74 1ni7 h ILE 38 N 0.12 0.00 -1.35 1.22 2.04 -0.22 -3.12 117.51 116.19 1ni7 h ILE 38 Ca 0.25 -0.58 0.39 0.00 1.00 0.00 0.00 64.86 65.92 1ni7 h ILE 38 Cb 0.83 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1ni7 h ILE 38 CO -0.03 0.00 0.96 0.00 0.00 0.00 0.00 178.15 179.08 1ni7 h MET 39 N -0.82 0.03 -0.98 2.37 -0.00 -1.06 0.21 114.93 114.69 1ni7 h MET 39 Ca -0.02 -0.00 0.34 0.00 -0.00 0.00 0.00 59.70 60.01 1ni7 h MET 39 Cb 0.18 -0.01 -0.17 0.00 -0.00 0.00 0.00 31.60 31.60 1ni7 h MET 39 CO 0.04 0.02 0.39 -0.07 -0.00 0.00 0.00 176.91 177.29 1ni7 h LEU 40 N 0.03 0.14 -0.33 -0.10 -0.00 -0.84 1.06 115.31 115.27 1ni7 h LEU 40 Ca 0.66 0.24 0.01 0.00 -0.00 0.00 0.00 57.88 58.79 1ni7 h LEU 40 Cb 2.54 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 43.47 1ni7 h LEU 40 CO -0.05 -0.31 0.20 1.23 -0.00 0.00 0.00 178.44 179.51 1ni7 h GLY 41 N 0.11 0.46 -0.17 0.83 0.00 -0.75 -1.83 103.07 101.72 1ni7 h GLY 41 Ca 0.72 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 48.00 1ni7 h GLY 41 CO -0.75 0.14 -0.22 0.50 0.00 0.00 0.00 176.54 176.21 1ni7 h LYS 42 N 0.41 -0.10 -0.12 4.80 1.57 0.10 -0.38 116.57 122.85 1ni7 h LYS 42 Ca 0.13 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1ni7 h LYS 42 Cb -0.01 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1ni7 h LYS 42 CO -0.05 -0.07 -0.09 1.96 -0.57 0.00 0.00 179.45 180.63 1ni7 h GLN 43 N -0.10 -0.10 -6.65 3.15 4.20 -1.04 -3.42 115.11 111.14 1ni7 h GLN 43 Ca 0.24 0.01 -0.58 0.00 0.06 0.00 0.00 58.65 58.37 1ni7 h GLN 43 Cb 0.47 0.02 0.10 0.00 0.30 0.00 0.00 27.48 28.38 1ni7 h GLN 43 CO -0.57 -0.07 0.46 -0.11 -0.67 0.00 0.00 178.83 177.87 1ni7 n LEU 44 N -5.24 3.08 -4.79 1.46 7.94 -0.15 -4.93 117.00 114.37 1ni7 n LEU 44 Ca -0.03 1.19 -0.35 0.00 -1.11 0.00 0.00 56.01 55.70 1ni7 n LEU 44 Cb 0.16 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 42.64 1ni7 n LEU 44 CO 0.25 -0.67 0.72 -2.16 -1.11 0.00 0.00 177.39 174.42 1ni7 s PRO 45 N -1.43 3.93 -0.49 1.96 0.04 -1.26 -4.92 135.00 132.82 1ni7 s PRO 45 Ca 0.59 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 1ni7 s PRO 45 Cb -0.62 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 1ni7 s PRO 45 CO 0.59 -0.33 1.84 0.00 0.04 0.00 0.00 177.00 179.13 1ni7 s ALA 46 N -1.87 2.45 -0.14 8.56 0.00 -1.26 -4.90 121.76 124.59 1ni7 s ALA 46 Ca 0.64 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.02 1ni7 s ALA 46 Cb -0.18 -4.18 -0.08 0.00 0.00 0.00 0.00 23.12 18.67 1ni7 s ALA 46 CO 0.22 -3.38 2.08 -0.11 0.00 0.00 0.00 175.76 174.58 1ni7 n LEU 47 N 11.77 3.38 -4.81 0.00 7.94 -1.26 -4.93 117.00 129.10 1ni7 n LEU 47 Ca 0.22 0.58 -0.33 0.00 -1.11 0.00 0.00 56.01 55.37 1ni7 n LEU 47 Cb 0.50 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1ni7 n LEU 47 CO 0.70 -0.33 0.71 -2.16 -1.11 0.00 0.00 177.39 175.20 1ni7 s PRO 48 N 5.37 3.41 0.59 1.96 0.04 -1.26 -4.78 135.00 140.33 1ni7 s PRO 48 Ca 0.97 1.17 0.29 0.00 0.04 0.00 0.00 61.00 63.48 1ni7 s PRO 48 Cb -0.51 -2.05 1.47 0.00 0.04 0.00 0.00 34.50 33.45 1ni7 s PRO 48 CO 0.42 -0.74 1.88 0.22 0.04 0.00 0.00 177.00 178.83 1ni7 h ASP 49 N 0.51 0.00 -0.29 6.66 1.82 -1.98 0.36 116.42 123.51 1ni7 h ASP 49 Ca -0.47 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.14 1ni7 h ASP 49 Cb 1.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1ni7 h ASP 49 CO 0.58 0.00 0.07 -0.33 -1.61 0.00 0.00 179.24 177.95 1ni7 h GLU 50 N 0.00 0.47 -0.11 0.28 4.39 -2.00 -1.78 114.58 115.84 1ni7 h GLU 50 Ca 0.22 -0.11 -0.23 0.00 0.34 0.00 0.00 59.36 59.58 1ni7 h GLU 50 Cb 1.22 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1ni7 h GLU 50 CO -0.00 0.55 -0.83 -0.07 -1.16 0.00 0.00 179.01 177.50 1ni7 h LEU 51 N 0.30 0.87 -1.70 1.33 -0.00 -0.76 -2.98 115.31 112.37 1ni7 h LEU 51 Ca 0.09 -0.60 0.17 0.00 -0.00 0.00 0.00 57.88 57.54 1ni7 h LEU 51 Cb 0.30 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.65 1ni7 h LEU 51 CO 0.00 1.39 0.50 0.11 -0.00 0.00 0.00 178.44 180.45 1ni7 h LYS 52 N 0.47 0.28 0.00 1.13 1.57 -0.71 1.11 116.57 120.42 1ni7 h LYS 52 Ca -0.07 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1ni7 h LYS 52 Cb 1.46 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 1ni7 h LYS 52 CO 0.17 0.18 -0.34 0.00 -0.57 0.00 0.00 179.45 178.89 1ni7 h ALA 53 N 1.65 0.89 0.00 3.86 0.00 -1.17 -2.74 119.26 121.75 1ni7 h ALA 53 Ca 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ni7 h ALA 53 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ni7 h ALA 53 CO -0.09 0.42 -0.26 1.96 0.00 0.00 0.00 179.25 181.28 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 0.13 -3.46 115.11 119.28 1ni7 h GLN 54 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ni7 h GLN 54 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.55 1ni7 h GLN 54 CO 0.04 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.37 1ni7 n ALA 55 N -1.93 0.00 -2.51 3.87 0.00 0.13 -4.73 120.51 115.34 1ni7 n ALA 55 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1ni7 n ALA 55 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1ni7 n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ni7 s LYS 56 N -1.98 1.84 0.02 0.00 1.02 0.62 -4.87 119.74 116.39 1ni7 s LYS 56 Ca 0.00 -1.20 -0.24 0.00 0.02 0.00 0.00 55.97 54.55 1ni7 s LYS 56 Cb 0.00 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 1ni7 s LYS 56 CO 0.00 0.47 0.75 -1.21 -0.92 0.00 0.00 175.35 174.44 1ni7 s GLU 57 N -2.28 4.47 -0.17 1.68 2.02 -1.26 -1.67 118.70 121.49 1ni7 s GLU 57 Ca 0.19 1.02 -0.01 0.00 0.02 0.00 0.00 54.97 56.19 1ni7 s GLU 57 Cb -0.10 -3.38 0.05 0.00 0.10 0.00 0.00 34.13 30.79 1ni7 s GLU 57 CO 0.11 0.23 -0.02 0.42 0.02 0.00 0.00 175.26 176.02 1ni7 s ILE 58 N 0.16 0.88 -0.62 -1.63 1.01 0.11 -4.98 121.20 116.14 1ni7 s ILE 58 Ca 0.38 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1ni7 s ILE 58 Cb -0.20 -1.16 0.33 0.00 0.01 0.00 0.00 42.46 41.45 1ni7 s ILE 58 CO 0.22 0.03 1.00 0.00 0.00 0.00 0.00 174.94 176.19 1ni7 n ALA 59 N 4.94 4.74 -2.64 9.38 0.00 -1.26 -0.38 120.51 135.30 1ni7 n ALA 59 Ca -0.10 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.63 1ni7 n ALA 59 Cb 0.48 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.10 1ni7 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 60 N -0.13 1.45 2.99 0.00 0.00 -1.26 -5.07 105.19 103.17 1ni7 n GLY 60 Ca 0.32 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 h GLU 62 N 0.00 0.08 0.00 0.00 4.81 -1.98 -3.43 114.58 114.06 1ni7 h GLU 62 Ca -0.22 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1ni7 h GLU 62 Cb 1.11 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ni7 h GLU 62 CO 0.32 0.05 0.09 -1.71 -0.73 0.00 0.00 179.01 177.03 1ni7 n ASN 63 N -4.85 -1.02 -4.32 1.04 2.85 -1.26 -5.03 115.26 102.67 1ni7 n ASN 63 Ca 0.37 -1.79 -0.40 0.00 -0.11 0.00 0.00 54.58 52.65 1ni7 n ASN 63 Cb 1.38 1.72 0.01 0.00 1.24 0.00 0.00 39.78 44.13 1ni7 n ASN 63 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ni7 n ARG 64 N -0.26 0.14 -3.85 1.20 1.74 -1.26 -4.68 116.66 109.69 1ni7 n ARG 64 Ca -0.03 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 1ni7 n ARG 64 Cb 0.28 -1.15 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ni7 s VAL 65 N -1.78 0.04 -0.02 1.55 1.01 0.49 -3.79 120.40 117.91 1ni7 s VAL 65 Ca 0.60 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1ni7 s VAL 65 Cb -0.56 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1ni7 s VAL 65 CO 0.62 -0.17 -0.04 0.26 0.00 0.00 0.00 175.10 175.77 1ni7 s TRP 66 N -0.57 0.51 -0.19 5.22 0.51 -0.69 0.07 118.94 123.79 1ni7 s TRP 66 Ca -0.07 -0.10 -0.16 0.00 -2.12 0.00 0.00 56.10 53.65 1ni7 s TRP 66 Cb -0.04 -0.39 0.05 0.00 -0.81 0.00 0.00 33.47 32.28 1ni7 s TRP 66 CO 0.01 -0.06 0.51 -1.17 -0.51 0.00 0.00 176.95 175.72 1ni7 s LEU 67 N 0.25 -0.06 -0.04 2.99 2.96 -0.67 -0.54 118.68 123.58 1ni7 s LEU 67 Ca -0.03 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1ni7 s LEU 67 Cb -0.06 1.72 0.01 0.00 0.50 0.00 0.00 46.19 48.36 1ni7 s LEU 67 CO -0.00 -0.19 0.11 -0.83 -1.32 0.00 0.00 176.35 174.13 1ni7 s GLY 68 N 0.60 -0.06 0.07 7.98 0.00 0.09 0.23 107.32 116.22 1ni7 s GLY 68 Ca -0.03 0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.87 1ni7 s GLY 68 CO -0.04 0.20 0.18 -2.52 0.00 0.00 0.00 173.10 170.93 1ni7 s TYR 69 N -0.12 0.13 -0.00 1.90 -0.85 -1.26 0.84 117.35 117.99 1ni7 s TYR 69 Ca -0.02 -0.48 -0.01 0.00 -0.52 0.00 0.00 57.07 56.04 1ni7 s TYR 69 Cb -0.02 -0.06 -0.00 0.00 0.38 0.00 0.00 41.96 42.26 1ni7 s TYR 69 CO 0.00 -0.49 0.02 0.95 -1.52 0.00 0.00 175.55 174.52 1ni7 s THR 70 N -3.34 0.03 0.29 -3.49 -4.23 -1.21 -4.95 115.64 98.74 1ni7 s THR 70 Ca 0.01 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1ni7 s THR 70 Cb 0.03 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.72 1ni7 s THR 70 CO -0.08 -0.11 0.25 -0.69 -0.54 0.00 0.00 174.62 173.45 1ni7 s VAL 71 N -0.33 4.04 0.32 2.29 1.01 -1.26 -2.72 120.40 123.75 1ni7 s VAL 71 Ca -0.04 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.61 1ni7 s VAL 71 Cb -0.02 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1ni7 s VAL 71 CO -0.00 -0.26 0.35 0.00 0.00 0.00 0.00 175.10 175.19 1ni7 n ALA 72 N -1.29 0.25 -0.13 5.51 0.00 -1.26 -4.95 120.51 118.65 1ni7 n ALA 72 Ca -0.05 -1.71 -0.06 0.00 0.00 0.00 0.00 53.44 51.62 1ni7 n ALA 72 Cb 0.59 1.39 0.00 0.00 0.00 0.00 0.00 19.45 21.42 1ni7 n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ni7 h GLU 73 N 0.00 -0.18 0.00 0.00 3.07 -2.00 0.76 114.58 116.22 1ni7 h GLU 73 Ca -0.24 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.62 1ni7 h GLU 73 Cb 1.13 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1ni7 h GLU 73 CO 0.33 -0.12 -0.09 -0.97 -1.40 0.00 0.00 179.01 176.77 1ni7 h ASN 74 N -0.19 0.00 0.00 1.42 -1.24 -2.04 -3.46 115.58 110.08 1ni7 h ASN 74 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1ni7 h ASN 74 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1ni7 h ASN 74 CO -0.53 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.31 1ni7 n GLY 75 N -0.39 2.80 3.51 1.57 0.00 0.26 -4.95 105.19 107.99 1ni7 n GLY 75 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1ni7 n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ni7 n LYS 76 N -2.00 0.21 -1.93 1.61 5.02 -1.26 -4.29 118.16 115.52 1ni7 n LYS 76 Ca 0.00 -0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 1ni7 n LYS 76 Cb 0.00 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.15 1ni7 n LYS 76 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ni7 s MET 77 N 8.21 3.45 -0.25 1.97 -1.94 -1.18 -4.44 119.30 125.12 1ni7 s MET 77 Ca 1.24 0.92 -0.04 0.00 -1.71 0.00 0.00 55.69 56.11 1ni7 s MET 77 Cb -0.83 -2.06 0.08 0.00 2.01 0.00 0.00 34.83 34.03 1ni7 s MET 77 CO 0.44 -0.69 0.10 -1.01 -0.01 0.00 0.00 175.02 173.85 1ni7 s HIS 78 N -2.91 0.64 0.30 -0.03 3.76 -1.10 -4.22 115.29 111.72 1ni7 s HIS 78 Ca 0.58 -0.87 -0.19 0.00 -0.15 0.00 0.00 55.06 54.44 1ni7 s HIS 78 Cb -0.12 -1.00 -0.09 0.00 1.11 0.00 0.00 32.58 32.48 1ni7 s HIS 78 CO 0.47 -0.72 0.78 -0.06 -0.85 0.00 0.00 174.74 174.36 1ni7 s PHE 79 N 1.99 3.50 -0.30 1.40 0.40 -1.26 -3.36 117.98 120.36 1ni7 s PHE 79 Ca 0.06 1.38 -0.11 0.00 -0.60 0.00 0.00 56.93 57.66 1ni7 s PHE 79 Cb -0.16 -2.64 0.16 0.00 0.51 0.00 0.00 43.02 40.88 1ni7 s PHE 79 CO -0.23 0.18 0.81 -0.59 0.70 0.00 0.00 175.22 176.09 1ni7 s PHE 80 N -1.79 -1.06 0.00 0.36 -0.12 0.25 -4.97 117.98 110.65 1ni7 s PHE 80 Ca 0.50 1.59 0.00 0.00 -0.05 0.00 0.00 56.93 58.98 1ni7 s PHE 80 Cb -0.13 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 1ni7 s PHE 80 CO 0.19 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.23 1ni7 n GLY 81 N 5.28 4.08 2.68 1.99 0.00 -1.26 -0.73 105.19 117.22 1ni7 n GLY 81 Ca -0.08 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.28 1ni7 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ni7 n ASP 82 N 0.00 -0.90 -3.72 1.61 5.75 0.30 -4.87 116.55 114.73 1ni7 n ASP 82 Ca 0.00 -1.27 -0.04 0.00 -0.01 0.00 0.00 54.79 53.47 1ni7 n ASP 82 Cb 0.00 1.41 -0.01 0.00 -1.03 0.00 0.00 41.12 41.48 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ni7 s SER 83 N -2.86 -0.19 -0.19 -1.12 0.15 -1.26 -1.70 113.70 106.52 1ni7 s SER 83 Ca 0.19 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1ni7 s SER 83 Cb -0.01 0.46 -0.20 0.00 -1.71 0.00 0.00 66.02 64.56 1ni7 s SER 83 CO 0.01 -0.83 0.19 1.21 1.20 0.00 0.00 173.24 175.01 1ni7 n GLU 84 N -0.44 0.62 -1.59 5.44 0.00 -1.25 -4.78 120.64 118.64 1ni7 n GLU 84 Ca -0.06 0.47 -0.47 0.00 0.00 0.00 0.00 57.16 57.09 1ni7 n GLU 84 Cb 0.61 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 30.31 1ni7 n GLU 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ni7 n GLY 85 N 1.57 -0.03 0.44 8.31 0.00 -1.26 -4.83 105.19 109.38 1ni7 n GLY 85 Ca -0.34 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1ni7 n GLY 85 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ni7 h ARG 86 N 2.89 -1.06 -0.32 1.61 -0.00 -1.94 0.17 114.38 115.73 1ni7 h ARG 86 Ca -0.42 0.07 -0.00 0.00 -0.50 0.00 0.00 59.98 59.13 1ni7 h ARG 86 Cb 1.34 0.24 -0.02 0.00 0.00 0.00 0.00 29.97 31.53 1ni7 h ARG 86 CO 0.67 -0.69 0.19 0.97 0.00 0.00 0.00 179.97 181.10 1ni7 h ILE 87 N -1.22 1.12 -0.88 2.04 6.09 -1.90 -2.02 117.51 120.74 1ni7 h ILE 87 Ca -0.11 -0.30 0.15 0.00 -1.37 0.00 0.00 64.86 63.23 1ni7 h ILE 87 Cb 0.85 0.74 -0.09 0.00 0.47 0.00 0.00 36.82 38.78 1ni7 h ILE 87 CO 0.18 0.12 0.48 0.58 -3.07 0.00 0.00 178.15 176.44 1ni7 h VAL 88 N 0.41 0.75 -0.24 2.19 2.07 -1.90 0.35 116.25 119.88 1ni7 h VAL 88 Ca 0.11 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1ni7 h VAL 88 Cb 0.03 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 1ni7 h VAL 88 CO -0.02 0.12 -0.12 -0.09 0.02 0.00 0.00 177.57 177.49 1ni7 h ARG 89 N 0.68 -0.08 0.47 1.57 2.43 0.10 0.26 114.38 119.81 1ni7 h ARG 89 Ca 0.48 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.63 1ni7 h ARG 89 Cb 0.66 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1ni7 h ARG 89 CO -0.35 -0.06 -0.23 0.78 -1.51 0.00 0.00 179.97 178.61 1ni7 h GLY 90 N -0.09 -0.66 -0.53 2.80 0.00 -0.81 -2.49 103.07 101.29 1ni7 h GLY 90 Ca 0.13 0.24 0.35 0.00 0.00 0.00 0.00 47.33 48.05 1ni7 h GLY 90 CO -0.30 -0.24 0.81 1.41 0.00 0.00 0.00 176.54 178.23 1ni7 h LEU 91 N -0.97 0.23 0.35 3.11 3.38 -0.23 0.41 115.31 121.58 1ni7 h LEU 91 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ni7 h LEU 91 Cb 0.59 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ni7 h LEU 91 CO 0.11 -0.00 -0.17 0.25 0.09 0.00 0.00 178.44 178.72 1ni7 h LEU 92 N 0.18 -0.39 -0.07 1.67 5.85 -0.27 -2.50 115.31 119.78 1ni7 h LEU 92 Ca 0.65 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.28 1ni7 h LEU 92 Cb 2.11 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 43.19 1ni7 h LEU 92 CO -0.21 -0.11 -0.49 0.00 -0.34 0.00 0.00 178.44 177.29 1ni7 h ALA 93 N -0.12 -0.88 -0.99 1.25 0.00 0.22 0.18 119.26 118.92 1ni7 h ALA 93 Ca -0.05 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.15 1ni7 h ALA 93 Cb 0.48 0.95 -0.18 0.00 0.00 0.00 0.00 17.79 19.04 1ni7 h ALA 93 CO 0.08 -1.04 0.36 0.28 0.00 0.00 0.00 179.25 178.93 1ni7 h VAL 94 N -0.56 0.05 0.81 0.00 2.07 -1.27 0.45 116.25 117.80 1ni7 h VAL 94 Ca 0.02 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1ni7 h VAL 94 Cb 0.63 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1ni7 h VAL 94 CO -0.37 0.01 -0.43 0.25 0.02 0.00 0.00 177.57 177.06 1ni7 h LEU 95 N 0.04 -1.03 -2.00 2.57 6.46 -0.22 0.99 115.31 122.12 1ni7 h LEU 95 Ca 0.74 0.04 0.38 0.00 -0.12 0.00 0.00 57.88 58.93 1ni7 h LEU 95 Cb 1.82 0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 41.97 1ni7 h LEU 95 CO -0.80 -0.70 0.96 -0.07 -0.62 0.00 0.00 178.44 177.21 1ni7 h LEU 96 N -1.14 0.00 -0.15 2.25 4.07 0.11 1.49 115.31 121.94 1ni7 h LEU 96 Ca -0.11 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.62 1ni7 h LEU 96 Cb 0.88 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.63 1ni7 h LEU 96 CO 0.16 0.00 -0.89 0.74 -1.08 0.00 0.00 178.44 177.37 1ni7 h THR 97 N 0.00 1.32 0.00 0.22 2.02 0.17 -2.85 112.91 113.79 1ni7 h THR 97 Ca 0.63 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1ni7 h THR 97 Cb 2.54 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 71.17 1ni7 h THR 97 CO -0.01 0.67 0.00 0.00 0.37 0.00 0.00 175.52 176.56 1ni7 h ALA 98 N 0.61 1.00 -0.48 6.16 0.00 0.45 -1.22 119.26 125.79 1ni7 h ALA 98 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 1ni7 h ALA 98 Cb 1.52 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.15 1ni7 h ALA 98 CO 0.17 0.00 -0.06 1.33 0.00 0.00 0.00 179.25 180.69 1ni7 n VAL 99 N -2.49 2.67 -1.54 0.00 0.24 -0.50 -4.88 118.33 111.83 1ni7 n VAL 99 Ca 0.01 -2.91 -0.37 0.00 -2.04 0.00 0.00 64.34 59.03 1ni7 n VAL 99 Cb 0.19 -0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 32.02 1ni7 n VAL 99 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ni7 n GLU 100 N -1.07 0.80 -4.10 7.34 2.13 -0.46 -2.65 120.64 122.64 1ni7 n GLU 100 Ca 0.38 -0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.88 1ni7 n GLU 100 Cb 1.04 -3.02 -0.08 0.00 0.27 0.00 0.00 31.44 29.65 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ni7 n GLY 101 N 6.12 -0.20 3.95 8.31 0.00 -1.26 -4.89 105.19 117.22 1ni7 n GLY 101 Ca 0.44 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.34 1ni7 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni7 s LYS 102 N -6.63 3.43 0.05 1.61 1.02 -1.08 -4.77 119.74 113.38 1ni7 s LYS 102 Ca 0.30 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 1ni7 s LYS 102 Cb -0.17 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1ni7 s LYS 102 CO 0.87 0.15 0.30 0.95 -0.92 0.00 0.00 175.35 176.71 1ni7 s THR 103 N -2.28 5.26 0.18 2.17 -4.23 -1.26 -3.13 115.64 112.34 1ni7 s THR 103 Ca 0.40 0.10 -0.26 0.00 -1.18 0.00 0.00 61.69 60.75 1ni7 s THR 103 Cb -0.10 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.19 1ni7 s THR 103 CO 0.35 0.25 1.55 0.00 -0.54 0.00 0.00 174.62 176.23 1ni7 h ALA 104 N 3.56 -0.30 -0.34 3.99 0.00 -1.94 0.28 119.26 124.51 1ni7 h ALA 104 Ca -0.48 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1ni7 h ALA 104 Cb 1.18 1.18 -0.07 0.00 0.00 0.00 0.00 17.79 20.09 1ni7 h ALA 104 CO 0.69 -0.84 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 1ni7 h ALA 105 N 0.77 -0.71 -0.70 0.00 0.00 -1.94 0.17 119.26 116.84 1ni7 h ALA 105 Ca 0.22 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.27 1ni7 h ALA 105 Cb 0.51 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.22 1ni7 h ALA 105 CO -0.90 -0.93 -0.18 0.93 0.00 0.00 0.00 179.25 178.17 1ni7 h GLU 106 N -0.33 -0.01 -0.12 0.00 4.39 -1.20 0.48 114.58 117.78 1ni7 h GLU 106 Ca 0.06 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1ni7 h GLU 106 Cb 0.50 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1ni7 h GLU 106 CO -0.50 -0.00 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.95 1ni7 h LEU 107 N -0.01 -1.03 -2.47 1.33 3.38 0.16 1.37 115.31 118.05 1ni7 h LEU 107 Ca 0.34 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ni7 h LEU 107 Cb 0.52 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ni7 h LEU 107 CO -0.73 -0.37 -0.01 1.56 0.09 0.00 0.00 178.44 178.98 1ni7 h GLN 108 N -0.41 0.00 0.00 1.13 4.20 0.17 0.89 115.11 121.09 1ni7 h GLN 108 Ca 0.09 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 1ni7 h GLN 108 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1ni7 h GLN 108 CO -0.35 0.01 -1.06 0.00 -0.67 0.00 0.00 178.83 176.76 1ni7 h ALA 109 N 1.99 0.50 -3.22 3.87 0.00 0.41 -3.43 119.26 119.37 1ni7 h ALA 109 Ca -0.00 -0.92 -0.47 0.00 0.00 0.00 0.00 54.91 53.51 1ni7 h ALA 109 Cb 0.03 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.42 1ni7 h ALA 109 CO 0.00 1.18 -0.76 -1.14 0.00 0.00 0.00 179.25 178.53 1ni7 s GLN 110 N -2.75 0.47 0.43 0.00 -0.44 0.43 -5.06 119.66 112.74 1ni7 s GLN 110 Ca 0.00 -0.14 -0.25 0.00 -2.50 0.00 0.00 55.36 52.48 1ni7 s GLN 110 Cb 0.09 -1.61 -0.08 0.00 -1.64 0.00 0.00 33.01 29.77 1ni7 s GLN 110 CO 0.81 -0.53 1.22 -1.54 0.50 0.00 0.00 175.29 175.75 1ni7 s SER 111 N 1.97 6.28 0.36 6.67 1.04 -1.20 -4.38 113.70 124.45 1ni7 s SER 111 Ca 0.02 2.46 0.19 0.00 0.48 0.00 0.00 55.95 59.09 1ni7 s SER 111 Cb -0.15 -2.62 0.51 0.00 0.10 0.00 0.00 66.02 63.86 1ni7 s SER 111 CO -0.07 -0.85 1.65 1.55 0.98 0.00 0.00 173.24 176.50 1ni7 h PRO 112 N 2.42 0.00 0.00 4.02 0.13 -1.90 -2.88 132.00 133.79 1ni7 h PRO 112 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ni7 h PRO 112 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ni7 h PRO 112 CO 0.62 0.37 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.68 1ni7 h LEU 113 N 0.00 0.00 -0.20 1.56 3.38 -1.98 -1.87 115.31 116.19 1ni7 h LEU 113 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ni7 h LEU 113 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1ni7 h LEU 113 CO 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 178.44 178.58 1ni7 h ALA 114 N 1.99 0.17 -0.21 1.53 0.00 -1.90 -0.62 119.26 120.22 1ni7 h ALA 114 Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ni7 h ALA 114 Cb 0.07 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1ni7 h ALA 114 CO 0.00 -0.44 -0.21 1.25 0.00 0.00 0.00 179.25 179.85 1ni7 h LEU 115 N 0.05 -0.66 -0.30 0.00 6.46 -1.54 0.61 115.31 119.94 1ni7 h LEU 115 Ca 0.10 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 1ni7 h LEU 115 Cb 0.13 0.31 -0.08 0.00 -0.73 0.00 0.00 40.66 40.29 1ni7 h LEU 115 CO -0.17 -0.25 -0.24 -0.26 -0.62 0.00 0.00 178.44 176.90 1ni7 h PHE 116 N -0.22 -0.64 -0.42 1.25 -1.00 -1.45 0.32 116.94 114.77 1ni7 h PHE 116 Ca 0.13 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 1ni7 h PHE 116 Cb 0.41 0.33 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 1ni7 h PHE 116 CO -0.35 -0.32 0.20 0.22 -1.61 0.00 0.00 178.31 176.45 1ni7 h ASP 117 N -0.22 0.52 0.26 2.17 3.58 -0.36 1.47 116.42 123.85 1ni7 h ASP 117 Ca 0.15 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1ni7 h ASP 117 Cb 0.46 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1ni7 h ASP 117 CO -0.42 0.45 -0.13 -0.33 -2.88 0.00 0.00 179.24 175.93 1ni7 h GLU 118 N 0.59 -0.34 0.00 0.28 4.39 0.30 -2.59 114.58 117.21 1ni7 h GLU 118 Ca 0.15 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1ni7 h GLU 118 Cb 0.07 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1ni7 h GLU 118 CO -0.02 -0.16 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.45 1ni7 h LEU 119 N -0.45 0.00 -1.00 1.33 3.38 -0.10 -3.47 115.31 115.00 1ni7 h LEU 119 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ni7 h LEU 119 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ni7 h LEU 119 CO 0.06 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1ni7 n GLY 120 N 0.63 0.80 0.12 0.83 0.00 0.45 -5.00 105.19 103.03 1ni7 n GLY 120 Ca 0.02 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ni7 h LEU 121 N 0.00 0.44 -1.50 0.99 3.38 -0.16 -3.30 115.31 115.16 1ni7 h LEU 121 Ca 0.00 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 1ni7 h LEU 121 Cb 0.76 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1ni7 h LEU 121 CO 0.00 1.57 -0.22 -0.09 0.09 0.00 0.00 178.44 179.79 1ni7 h ARG 122 N 0.08 0.00 0.00 1.13 2.43 -1.90 -1.40 114.38 114.72 1ni7 h ARG 122 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1ni7 h ARG 122 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1ni7 h ARG 122 CO 0.16 0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 1ni7 n ALA 123 N -2.31 1.34 -0.09 2.80 0.00 -1.24 -2.75 120.51 118.27 1ni7 n ALA 123 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1ni7 n ALA 123 Cb 0.34 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1ni7 n ALA 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ni7 n GLN 124 N -1.77 0.50 -2.14 0.00 6.02 -0.53 -4.91 117.38 114.54 1ni7 n GLN 124 Ca 0.01 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 1ni7 n GLN 124 Cb 0.10 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 1ni7 n GLN 124 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1ni7 s LEU 125 N -8.04 4.42 0.00 1.08 0.05 -1.11 -5.01 118.68 110.07 1ni7 s LEU 125 Ca -0.22 2.56 -0.11 0.00 0.05 0.00 0.00 54.13 56.41 1ni7 s LEU 125 Cb 0.04 -3.63 0.17 0.00 -2.05 0.00 0.00 46.19 40.72 1ni7 s LEU 125 CO 0.36 -0.56 0.48 -1.20 -0.55 0.00 0.00 176.35 174.88 1ni7 n SER 126 N 1.90 -2.32 -0.04 1.48 7.64 -1.26 -4.69 113.62 116.32 1ni7 n SER 126 Ca 0.04 -0.63 -0.07 0.00 1.01 0.00 0.00 58.87 59.22 1ni7 n SER 126 Cb 0.42 -0.49 0.10 0.00 -1.01 0.00 0.00 64.21 63.23 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ni7 h ALA 127 N -2.59 0.88 0.93 -0.43 0.00 -1.94 -2.23 119.26 113.87 1ni7 h ALA 127 Ca -0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1ni7 h ALA 127 Cb 0.64 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ni7 h ALA 127 CO 0.12 0.63 -0.45 0.77 0.00 0.00 0.00 179.25 180.33 1ni7 h SER 128 N 0.56 -1.06 -0.63 0.00 0.02 -2.01 -2.49 113.55 107.94 1ni7 h SER 128 Ca 0.07 0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.18 1ni7 h SER 128 Cb 0.81 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.52 1ni7 h SER 128 CO 0.07 -0.74 0.05 0.03 -1.14 0.00 0.00 176.83 175.10 1ni7 h ARG 129 N -1.29 0.16 -1.02 3.45 3.08 -1.90 0.37 114.38 117.24 1ni7 h ARG 129 Ca -0.13 -0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.17 1ni7 h ARG 129 Cb 0.96 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.88 1ni7 h ARG 129 CO 0.21 0.11 0.65 1.03 -1.07 0.00 0.00 179.97 180.89 1ni7 h SER 130 N 0.16 0.51 -0.03 7.04 0.87 -1.23 1.25 113.55 122.12 1ni7 h SER 130 Ca 0.34 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 61.00 1ni7 h SER 130 Cb 0.55 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1ni7 h SER 130 CO -0.51 0.11 0.22 -0.61 -0.53 0.00 0.00 176.83 175.51 1ni7 h GLN 131 N 0.46 0.00 0.00 2.24 4.15 0.22 0.40 115.11 122.57 1ni7 h GLN 131 Ca 0.60 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.79 1ni7 h GLN 131 Cb 1.39 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.04 1ni7 h GLN 131 CO -0.33 0.00 -1.39 0.78 -1.93 0.00 0.00 178.83 175.96 1ni7 h GLY 132 N 0.00 0.00 0.80 2.39 0.00 0.15 -3.23 103.07 103.18 1ni7 h GLY 132 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1ni7 h GLY 132 CO -0.00 0.00 0.02 -2.00 0.00 0.00 0.00 176.54 174.56 1ni7 h LEU 133 N 0.00 0.19 -1.73 3.11 6.46 -0.06 -1.67 115.31 121.60 1ni7 h LEU 133 Ca -0.18 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1ni7 h LEU 133 Cb 1.79 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.66 1ni7 h LEU 133 CO 0.08 0.40 0.06 -0.55 -0.62 0.00 0.00 178.44 177.80 1ni7 h ASN 134 N -0.03 0.20 -0.46 1.25 7.08 -1.58 0.26 115.58 122.30 1ni7 h ASN 134 Ca 0.04 -0.01 -0.08 0.00 -3.08 0.00 0.00 56.30 53.16 1ni7 h ASN 134 Cb 0.29 -0.05 -0.02 0.00 -2.08 0.00 0.00 38.32 36.45 1ni7 h ASN 134 CO 0.00 0.20 -0.00 0.00 -2.08 0.00 0.00 177.43 175.55 1ni7 h ALA 135 N 1.84 1.02 -0.01 4.14 0.00 -1.45 0.40 119.26 125.19 1ni7 h ALA 135 Ca 0.06 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 1ni7 h ALA 135 Cb 0.06 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ni7 h ALA 135 CO -0.01 0.61 -0.97 -0.07 0.00 0.00 0.00 179.25 178.81 1ni7 h LEU 136 N 0.82 0.70 0.33 0.00 3.38 -0.20 -3.05 115.31 117.29 1ni7 h LEU 136 Ca 0.15 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1ni7 h LEU 136 Cb 0.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ni7 h LEU 136 CO 0.02 1.35 -0.16 -1.28 0.09 0.00 0.00 178.44 178.46 1ni7 h SER 137 N 0.31 -0.38 -1.08 -0.43 0.87 -0.22 -2.71 113.55 109.91 1ni7 h SER 137 Ca -0.10 -0.13 0.30 0.00 -1.23 0.00 0.00 61.79 60.63 1ni7 h SER 137 Cb 1.61 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 63.60 1ni7 h SER 137 CO 0.18 -0.07 0.75 1.05 -0.53 0.00 0.00 176.83 178.20 1ni7 h GLU 138 N -0.70 0.15 -0.89 2.24 4.11 -0.29 0.63 114.58 119.83 1ni7 h GLU 138 Ca -0.05 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.49 1ni7 h GLU 138 Cb 0.49 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1ni7 h GLU 138 CO 0.07 0.10 0.52 0.00 0.07 0.00 0.00 179.01 179.77 1ni7 h ALA 139 N 1.51 1.31 -0.04 1.06 0.00 -1.36 0.32 119.26 122.06 1ni7 h ALA 139 Ca 0.55 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.33 1ni7 h ALA 139 Cb 1.88 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.54 1ni7 h ALA 139 CO -0.12 0.10 -0.62 0.82 0.00 0.00 0.00 179.25 179.43 1ni7 h ILE 140 N 0.82 1.39 -0.41 0.00 2.04 0.20 -2.73 117.51 118.82 1ni7 h ILE 140 Ca 0.44 -2.01 0.08 0.00 1.00 0.00 0.00 64.86 64.38 1ni7 h ILE 140 Cb 0.46 2.42 -0.08 0.00 -0.74 0.00 0.00 36.82 38.88 1ni7 h ILE 140 CO -0.28 0.60 -0.12 0.40 0.00 0.00 0.00 178.15 178.75 1ni7 h ILE 141 N 0.05 0.55 -0.99 -0.67 1.08 -0.34 1.10 117.51 118.29 1ni7 h ILE 141 Ca -0.07 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 1ni7 h ILE 141 Cb 1.30 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.55 1ni7 h ILE 141 CO 0.13 0.00 0.65 0.00 -0.69 0.00 0.00 178.15 178.24 1ni7 h ALA 142 N 1.36 1.35 0.29 1.87 0.00 -0.46 0.77 119.26 124.45 1ni7 h ALA 142 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ni7 h ALA 142 Cb 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ni7 h ALA 142 CO -0.43 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.23 1ni7 h ALA 143 N 1.42 -0.39 -0.76 0.00 0.00 -0.38 -2.82 119.26 116.33 1ni7 h ALA 143 Ca 0.40 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ni7 h ALA 143 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ni7 h ALA 143 CO -0.12 -0.59 0.47 1.79 0.00 0.00 0.00 179.25 180.80 1ni7 h THR 144 N -0.65 1.07 -1.03 0.00 1.35 0.15 -0.45 112.91 113.36 1ni7 h THR 144 Ca -0.04 -0.31 0.26 0.00 -0.55 0.00 0.00 66.41 65.77 1ni7 h THR 144 Cb 0.46 0.09 -0.09 0.00 -1.73 0.00 0.00 68.15 66.88 1ni7 h THR 144 CO 0.07 0.16 0.67 0.50 -0.25 0.00 0.00 175.52 176.67 1ni7 h LYS 145 N 0.90 0.37 -0.05 4.72 3.64 0.66 1.04 116.57 127.85 1ni7 h LYS 145 Ca 0.32 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.43 1ni7 h LYS 145 Cb 0.07 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ni7 h LYS 145 CO -0.13 0.24 -0.93 1.96 -2.27 0.00 0.00 179.45 178.32 1ni7 h GLN 146 N 0.38 0.67 0.35 1.90 1.08 -0.85 -2.50 115.11 116.14 1ni7 h GLN 146 Ca 0.58 -0.65 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1ni7 h GLN 146 Cb 1.49 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1ni7 h GLN 146 CO -0.27 1.25 -0.17 0.28 -0.95 0.00 0.00 178.83 178.98 1ni7 h VAL 147 N 0.41 0.61 -0.55 -0.54 2.07 0.71 -3.15 116.25 115.81 1ni7 h VAL 147 Ca -0.09 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 66.98 1ni7 h VAL 147 Cb 1.57 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 32.10 1ni7 h VAL 147 CO 0.18 0.10 -0.18 -0.07 0.02 0.00 0.00 177.57 177.62 1ni7 h LEU 148 N -0.81 -0.64 0.00 2.57 3.38 0.71 -3.51 115.31 117.01 1ni7 h LEU 148 Ca -0.05 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ni7 h LEU 148 Cb 0.52 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ni7 h LEU 148 CO 0.08 -0.22 0.00 -0.62 0.09 0.00 0.00 178.44 177.77