#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 s THR 2 N 0.00 5.27 -0.12 2.03 2.01 -1.26 -5.06 115.64 118.51 1ni7 s THR 2 Ca 0.00 0.61 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 1ni7 s THR 2 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1ni7 s THR 2 CO 0.00 0.33 0.72 0.20 -0.69 0.00 0.00 174.62 175.18 1ni7 s ASN 3 N 0.72 6.92 0.27 3.53 -0.87 -1.26 -5.06 114.94 119.20 1ni7 s ASN 3 Ca 0.17 1.12 0.00 0.00 -1.57 0.00 0.00 52.86 52.58 1ni7 s ASN 3 Cb -0.14 -2.41 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1ni7 s ASN 3 CO 0.06 -0.21 0.00 -0.81 -2.57 0.00 0.00 177.10 173.57 1ni7 n PRO 4 N 4.36 0.59 -1.50 -0.60 -0.04 -1.26 -5.12 135.00 131.44 1ni7 n PRO 4 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ni7 n PRO 4 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1ni7 n PRO 4 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ni7 n GLN 5 N -0.34 0.88 -3.67 0.54 6.02 -1.26 -5.16 117.38 114.39 1ni7 n GLN 5 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1ni7 n GLN 5 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1ni7 n GLN 5 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ni7 s PHE 6 N -1.31 -0.58 0.00 1.08 5.36 -1.26 -5.05 117.98 116.22 1ni7 s PHE 6 Ca 0.00 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1ni7 s PHE 6 Cb 0.00 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1ni7 s PHE 6 CO 0.00 -0.40 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 1ni7 n ALA 7 N 5.25 0.00 -0.21 11.12 0.00 -1.26 -5.02 120.51 130.39 1ni7 n ALA 7 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1ni7 n ALA 7 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ni7 h GLY 8 N 0.00 -0.14 -4.30 0.00 0.00 -2.02 -3.47 103.07 93.14 1ni7 h GLY 8 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1ni7 h GLY 8 CO 0.00 -0.20 -0.62 1.42 0.00 0.00 0.00 176.54 177.14 1ni7 n HIS 9 N -5.43 -2.47 0.04 5.60 8.25 -1.26 -4.95 115.22 114.99 1ni7 n HIS 9 Ca 0.04 1.11 -0.15 0.00 -0.26 0.00 0.00 57.72 58.46 1ni7 n HIS 9 Cb 0.36 -3.04 -0.05 0.00 1.12 0.00 0.00 29.99 28.37 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 1.89 0.55 -6.05 -0.41 0.13 -1.93 -3.44 132.00 122.73 1ni7 h PRO 10 Ca -0.01 -0.54 -0.64 0.00 -0.87 0.00 0.00 66.00 63.94 1ni7 h PRO 10 Cb 0.03 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1ni7 h PRO 10 CO 0.06 1.16 1.36 1.97 -0.23 0.00 0.00 178.00 182.32 1ni7 n PHE 11 N -3.82 1.88 0.00 1.56 1.16 -1.26 -0.79 117.46 116.19 1ni7 n PHE 11 Ca -0.07 0.10 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 1ni7 n PHE 11 Cb 0.81 -2.62 0.00 0.00 -1.61 0.00 0.00 39.48 36.06 1ni7 n PHE 11 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ni7 n GLY 12 N 5.80 3.44 0.04 4.97 0.00 0.43 -4.78 105.19 115.08 1ni7 n GLY 12 Ca 0.34 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.26 2.61 -1.04 -0.48 -4.82 114.28 110.81 1ni7 n THR 13 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1ni7 n THR 13 Cb 0.00 -0.50 0.68 0.00 -1.82 0.00 0.00 70.33 68.70 1ni7 n THR 13 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1ni7 h THR 14 N 0.00 0.79 -3.29 12.58 2.02 -1.76 -3.38 112.91 119.86 1ni7 h THR 14 Ca 0.00 -0.42 -0.63 0.00 0.77 0.00 0.00 66.41 66.14 1ni7 h THR 14 Cb 0.00 1.25 -0.36 0.00 -1.74 0.00 0.00 68.15 67.29 1ni7 h THR 14 CO 0.00 0.11 -0.83 -0.69 0.37 0.00 0.00 175.52 174.48 1ni7 s VAL 15 N -4.50 1.73 0.32 3.16 1.01 0.03 -4.87 120.40 117.28 1ni7 s VAL 15 Ca -0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1ni7 s VAL 15 Cb 0.15 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1ni7 s VAL 15 CO 0.62 0.32 0.44 0.42 0.00 0.00 0.00 175.10 176.89 1ni7 s THR 16 N 1.39 0.00 0.29 3.92 -4.23 -1.26 0.16 115.64 115.91 1ni7 s THR 16 Ca 0.01 -1.62 0.36 0.00 -1.18 0.00 0.00 61.69 59.26 1ni7 s THR 16 Cb -0.15 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.51 1ni7 s THR 16 CO -0.10 0.00 2.10 0.00 -0.54 0.00 0.00 174.62 176.08 1ni7 h ALA 17 N 2.17 1.00 0.00 3.99 0.00 -1.93 0.33 119.26 124.82 1ni7 h ALA 17 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1ni7 h ALA 17 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ni7 h ALA 17 CO 0.39 0.00 -0.35 1.49 0.00 0.00 0.00 179.25 180.78 1ni7 h GLU 18 N 0.00 0.00 -0.71 0.00 4.81 -1.96 -2.57 114.58 114.15 1ni7 h GLU 18 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ni7 h GLU 18 Cb 0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1ni7 h GLU 18 CO 0.00 0.36 0.42 1.15 -0.73 0.00 0.00 179.01 180.21 1ni7 h THR 19 N -1.00 1.20 0.51 0.32 2.02 -1.82 0.69 112.91 114.83 1ni7 h THR 19 Ca -0.06 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1ni7 h THR 19 Cb 0.56 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1ni7 h THR 19 CO -0.04 0.22 -0.24 -0.07 0.37 0.00 0.00 175.52 175.76 1ni7 h LEU 20 N 0.98 -0.58 -2.19 2.58 3.38 -0.50 -2.72 115.31 116.27 1ni7 h LEU 20 Ca 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ni7 h LEU 20 Cb -0.02 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ni7 h LEU 20 CO -0.05 -0.21 0.00 0.08 0.09 0.00 0.00 178.44 178.36 1ni7 h ARG 21 N -1.02 0.00 -0.09 1.13 0.11 -1.26 -0.40 114.38 112.85 1ni7 h ARG 21 Ca -0.07 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.90 1ni7 h ARG 21 Cb 0.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 1ni7 h ARG 21 CO 0.11 0.00 -0.45 -0.91 0.10 0.00 0.00 179.97 178.82 1ni7 h ASN 22 N 0.00 0.24 0.64 0.08 2.35 0.67 1.63 115.58 121.19 1ni7 h ASN 22 Ca 0.00 -0.11 -0.27 0.00 -0.55 0.00 0.00 56.30 55.37 1ni7 h ASN 22 Cb 0.16 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1ni7 h ASN 22 CO 0.00 0.66 -1.41 0.74 -1.65 0.00 0.00 177.43 175.78 1ni7 h THR 23 N 0.19 1.25 0.02 2.81 2.02 -0.80 -3.34 112.91 115.06 1ni7 h THR 23 Ca 0.01 -2.97 -0.25 0.00 0.77 0.00 0.00 66.41 63.97 1ni7 h THR 23 Cb 0.87 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.95 1ni7 h THR 23 CO 0.07 0.78 -1.32 -0.26 0.37 0.00 0.00 175.52 175.17 1ni7 h PHE 24 N 0.03 0.06 -0.97 3.16 0.04 -1.22 -3.15 116.94 114.89 1ni7 h PHE 24 Ca -0.18 -0.05 0.13 0.00 2.80 0.00 0.00 57.97 60.68 1ni7 h PHE 24 Cb 1.94 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.94 1ni7 h PHE 24 CO 0.03 1.05 -0.43 0.00 -0.60 0.00 0.00 178.31 178.36 1ni7 n ALA 25 N -2.46 -0.24 -0.03 2.45 0.00 0.56 -1.22 120.51 119.56 1ni7 n ALA 25 Ca -0.08 0.93 -0.14 0.00 0.00 0.00 0.00 53.44 54.15 1ni7 n ALA 25 Cb 0.99 -0.36 -0.11 0.00 0.00 0.00 0.00 19.45 19.97 1ni7 n ALA 25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ni7 h PRO 26 N 0.00 0.11 -5.47 0.00 0.13 -1.74 -3.40 132.00 121.62 1ni7 h PRO 26 Ca 0.29 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 65.19 1ni7 h PRO 26 Cb 0.54 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1ni7 h PRO 26 CO -0.95 0.83 0.36 -0.51 -0.23 0.00 0.00 178.00 177.50 1ni7 s LEU 27 N -8.64 2.99 0.29 1.56 1.43 -0.35 -4.68 118.68 111.27 1ni7 s LEU 27 Ca -0.16 -0.01 0.18 0.00 -1.03 0.00 0.00 54.13 53.10 1ni7 s LEU 27 Cb 0.00 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.79 1ni7 s LEU 27 CO 0.72 -3.51 1.40 0.74 0.23 0.00 0.00 176.35 175.93 1ni7 h THR 28 N 7.57 0.54 -3.18 5.49 2.02 -1.80 -3.44 112.91 120.12 1ni7 h THR 28 Ca -0.01 -1.80 -0.57 0.00 0.77 0.00 0.00 66.41 64.81 1ni7 h THR 28 Cb 1.03 2.21 -0.05 0.00 -1.74 0.00 0.00 68.15 69.60 1ni7 h THR 28 CO 1.07 0.31 0.67 -1.10 0.37 0.00 0.00 175.52 176.84 1ni7 s GLN 29 N -3.05 4.35 0.37 6.66 -0.21 -1.26 -4.90 119.66 121.62 1ni7 s GLN 29 Ca 0.04 1.39 0.09 0.00 0.02 0.00 0.00 55.36 56.89 1ni7 s GLN 29 Cb 0.07 -3.58 0.83 0.00 1.00 0.00 0.00 33.01 31.33 1ni7 s GLN 29 CO 0.74 -0.45 1.90 2.35 -2.12 0.00 0.00 175.29 177.71 1ni7 h TRP 30 N 7.26 0.75 -1.02 0.91 7.01 -1.95 0.17 115.95 129.07 1ni7 h TRP 30 Ca -0.26 0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.01 1ni7 h TRP 30 Cb 1.11 -0.24 -0.10 0.00 -2.10 0.00 0.00 29.16 27.83 1ni7 h TRP 30 CO 0.73 0.31 0.64 1.49 -2.79 0.00 0.00 178.44 178.82 1ni7 h GLU 31 N 0.67 0.47 0.31 2.65 4.81 -1.97 0.82 114.58 122.34 1ni7 h GLU 31 Ca 0.40 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1ni7 h GLU 31 Cb 0.61 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ni7 h GLU 31 CO -0.16 0.31 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.84 1ni7 h ASP 32 N 0.48 -0.36 -0.53 1.04 3.32 -1.03 0.95 116.42 120.29 1ni7 h ASP 32 Ca 0.60 -0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.60 1ni7 h ASP 32 Cb 1.36 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.91 1ni7 h ASP 32 CO -0.35 0.11 -0.05 0.11 -1.72 0.00 0.00 179.24 177.33 1ni7 h LYS 33 N -0.98 0.06 -0.28 3.56 1.57 -0.94 0.94 116.57 120.50 1ni7 h LYS 33 Ca -0.04 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1ni7 h LYS 33 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ni7 h LYS 33 CO 0.07 0.04 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.01 1ni7 h TYR 34 N 0.07 0.46 0.43 -1.35 5.03 0.56 0.38 116.97 122.55 1ni7 h TYR 34 Ca 0.27 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 1ni7 h TYR 34 Cb 0.42 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1ni7 h TYR 34 CO -0.38 0.51 -0.21 0.00 -1.32 0.00 0.00 178.16 176.77 1ni7 h ARG 35 N 0.42 -0.56 -0.83 1.82 3.08 0.21 -3.20 114.38 115.33 1ni7 h ARG 35 Ca 0.09 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1ni7 h ARG 35 Cb 0.38 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 1ni7 h ARG 35 CO 0.02 -0.30 0.54 0.37 -1.07 0.00 0.00 179.97 179.52 1ni7 h GLN 36 N -1.09 1.03 -0.99 0.04 5.75 0.75 -1.66 115.11 118.94 1ni7 h GLN 36 Ca -0.06 -0.06 0.34 0.00 -0.15 0.00 0.00 58.65 58.72 1ni7 h GLN 36 Cb 0.51 -0.23 -0.16 0.00 1.07 0.00 0.00 27.48 28.67 1ni7 h GLN 36 CO 0.10 0.68 0.48 -0.07 -2.65 0.00 0.00 178.83 177.37 1ni7 h LEU 37 N 1.06 0.31 -0.36 -2.39 3.38 -0.30 1.45 115.31 118.46 1ni7 h LEU 37 Ca 0.32 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.52 1ni7 h LEU 37 Cb -0.03 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1ni7 h LEU 37 CO -0.10 -0.26 0.23 0.40 0.09 0.00 0.00 178.44 178.80 1ni7 h ILE 38 N 0.18 1.07 -0.85 1.22 2.04 -1.29 -1.90 117.51 117.97 1ni7 h ILE 38 Ca 0.74 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 66.52 1ni7 h ILE 38 Cb 1.77 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 1ni7 h ILE 38 CO -0.69 0.08 0.56 0.24 0.00 0.00 0.00 178.15 178.34 1ni7 h MET 39 N 0.46 0.90 -1.10 2.37 2.86 0.19 0.29 114.93 120.90 1ni7 h MET 39 Ca 0.14 -0.05 0.32 0.00 -2.06 0.00 0.00 59.70 58.04 1ni7 h MET 39 Cb -0.03 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 1ni7 h MET 39 CO -0.05 0.59 0.79 -0.07 1.06 0.00 0.00 176.91 179.24 1ni7 h LEU 40 N 0.92 0.00 0.08 1.22 -0.00 -0.35 1.04 115.31 118.22 1ni7 h LEU 40 Ca 0.37 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 58.00 1ni7 h LEU 40 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1ni7 h LEU 40 CO -0.14 0.00 -1.20 1.23 -0.00 0.00 0.00 178.44 178.32 1ni7 h GLY 41 N 0.00 0.19 0.88 0.83 0.00 -0.95 -3.25 103.07 100.78 1ni7 h GLY 41 Ca 0.52 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1ni7 h GLY 41 CO -0.01 0.43 -0.14 0.50 0.00 0.00 0.00 176.54 177.32 1ni7 h LYS 42 N 0.05 -0.38 -0.74 4.80 1.79 0.12 -2.84 116.57 119.36 1ni7 h LYS 42 Ca -0.11 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.56 1ni7 h LYS 42 Cb 1.91 0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 32.52 1ni7 h LYS 42 CO 0.17 -0.17 0.08 1.96 -1.08 0.00 0.00 179.45 180.41 1ni7 h GLN 43 N -0.51 0.16 -6.65 3.15 4.20 -1.29 -3.41 115.11 110.76 1ni7 h GLN 43 Ca -0.04 -0.01 -0.58 0.00 0.06 0.00 0.00 58.65 58.08 1ni7 h GLN 43 Cb 0.38 -0.04 0.10 0.00 0.30 0.00 0.00 27.48 28.22 1ni7 h GLN 43 CO 0.07 0.10 0.53 -0.11 -0.67 0.00 0.00 178.83 178.75 1ni7 n LEU 44 N -5.27 3.19 -4.80 1.46 7.94 -1.07 -4.94 117.00 113.51 1ni7 n LEU 44 Ca 0.14 1.17 -0.34 0.00 -1.11 0.00 0.00 56.01 55.88 1ni7 n LEU 44 Cb 0.47 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 42.96 1ni7 n LEU 44 CO 0.08 -0.56 0.71 -2.16 -1.11 0.00 0.00 177.39 174.36 1ni7 s PRO 45 N -1.12 3.69 -0.62 1.96 0.04 -1.26 -4.94 135.00 132.75 1ni7 s PRO 45 Ca 0.62 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1ni7 s PRO 45 Cb -0.62 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 1ni7 s PRO 45 CO 0.56 -0.52 1.83 0.00 0.04 0.00 0.00 177.00 178.91 1ni7 s ALA 46 N -2.12 2.20 -0.00 8.56 0.00 -1.26 -4.91 121.76 124.21 1ni7 s ALA 46 Ca 0.66 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 1ni7 s ALA 46 Cb -0.16 -4.30 -0.10 0.00 0.00 0.00 0.00 23.12 18.56 1ni7 s ALA 46 CO 0.24 -3.88 1.96 -0.11 0.00 0.00 0.00 175.76 173.97 1ni7 n LEU 47 N 12.60 3.95 -4.78 0.00 7.94 -1.26 -4.95 117.00 130.49 1ni7 n LEU 47 Ca 0.20 0.91 -0.29 0.00 -1.11 0.00 0.00 56.01 55.72 1ni7 n LEU 47 Cb 0.52 -1.48 0.16 0.00 0.53 0.00 0.00 43.42 43.15 1ni7 n LEU 47 CO 0.71 0.12 0.73 -2.16 -1.11 0.00 0.00 177.39 175.68 1ni7 s PRO 48 N 4.40 0.71 0.06 1.96 0.04 -1.26 -4.85 135.00 136.06 1ni7 s PRO 48 Ca 0.90 0.12 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 1ni7 s PRO 48 Cb -0.51 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 1ni7 s PRO 48 CO 0.45 -2.46 1.52 0.22 0.04 0.00 0.00 177.00 176.77 1ni7 h ASP 49 N -1.68 0.18 -0.91 6.66 1.82 -1.98 -0.47 116.42 120.03 1ni7 h ASP 49 Ca -0.49 -0.26 0.25 0.00 -0.39 0.00 0.00 57.03 56.15 1ni7 h ASP 49 Cb 1.31 -0.05 -0.14 0.00 0.68 0.00 0.00 39.33 41.13 1ni7 h ASP 49 CO 0.54 0.39 0.33 1.05 -1.61 0.00 0.00 179.24 179.94 1ni7 h GLU 50 N -0.04 0.25 -0.10 0.28 4.11 -2.00 0.79 114.58 117.87 1ni7 h GLU 50 Ca 0.03 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.24 1ni7 h GLU 50 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ni7 h GLU 50 CO 0.00 0.17 -0.79 -0.07 0.07 0.00 0.00 179.01 178.39 1ni7 h LEU 51 N 0.26 0.73 -1.67 3.06 3.38 -1.87 -2.97 115.31 116.23 1ni7 h LEU 51 Ca 0.60 -0.49 0.21 0.00 0.09 0.00 0.00 57.88 58.28 1ni7 h LEU 51 Cb 1.24 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1ni7 h LEU 51 CO -0.63 1.27 0.58 0.11 0.09 0.00 0.00 178.44 179.86 1ni7 h LYS 52 N 0.41 0.27 0.00 1.13 1.57 0.22 1.45 116.57 121.61 1ni7 h LYS 52 Ca -0.05 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1ni7 h LYS 52 Cb 1.40 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1ni7 h LYS 52 CO 0.15 0.18 -0.32 0.00 -0.57 0.00 0.00 179.45 178.89 1ni7 h ALA 53 N 1.61 0.90 0.00 3.86 0.00 -0.93 -2.75 119.26 121.94 1ni7 h ALA 53 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ni7 h ALA 53 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ni7 h ALA 53 CO -0.12 0.40 0.00 1.96 0.00 0.00 0.00 179.25 181.49 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 0.20 -3.45 115.11 119.36 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 1.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.53 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 -2.10 0.00 -2.48 3.87 0.00 -0.41 -4.77 120.51 114.63 1ni7 n ALA 55 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 1ni7 n ALA 55 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 0.29 1.74 -0.02 0.00 1.02 0.64 -4.88 119.74 118.54 1ni7 s LYS 56 Ca 0.00 -1.30 -0.25 0.00 0.02 0.00 0.00 55.97 54.44 1ni7 s LYS 56 Cb 0.00 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 1ni7 s LYS 56 CO 0.00 0.45 0.75 -1.21 -0.92 0.00 0.00 175.35 174.42 1ni7 s GLU 57 N -2.42 4.47 0.07 1.68 2.02 -1.26 -1.40 118.70 121.85 1ni7 s GLU 57 Ca 0.20 1.00 0.06 0.00 0.02 0.00 0.00 54.97 56.24 1ni7 s GLU 57 Cb -0.09 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 1ni7 s GLU 57 CO 0.11 0.12 -0.16 0.42 0.02 0.00 0.00 175.26 175.77 1ni7 s ILE 58 N 0.55 1.26 0.29 -1.63 1.01 0.52 -4.97 121.20 118.23 1ni7 s ILE 58 Ca 0.39 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1ni7 s ILE 58 Cb -0.19 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1ni7 s ILE 58 CO 0.21 -0.10 0.39 0.00 0.00 0.00 0.00 174.94 175.43 1ni7 s ALA 59 N -1.10 0.73 0.00 9.38 0.00 -1.26 -1.35 121.76 128.16 1ni7 s ALA 59 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1ni7 s ALA 59 Cb -0.09 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.24 1ni7 s ALA 59 CO 0.02 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1ni7 n GLY 60 N -0.47 2.55 2.59 0.00 0.00 -1.26 -5.01 105.19 103.58 1ni7 n GLY 60 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.00 0.00 0.00 4.39 -1.97 -3.44 114.58 113.56 1ni7 h GLU 62 Ca -0.23 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.29 1ni7 h GLU 62 Cb 0.81 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 1ni7 h GLU 62 CO 0.23 -0.00 -0.07 0.09 -1.16 0.00 0.00 179.01 178.10 1ni7 n ASN 63 N -5.52 -1.09 -3.93 1.42 4.13 -1.26 -5.05 115.26 103.96 1ni7 n ASN 63 Ca 0.12 -2.37 -0.39 0.00 1.68 0.00 0.00 54.58 53.62 1ni7 n ASN 63 Cb 0.43 1.99 -0.01 0.00 -1.54 0.00 0.00 39.78 40.65 1ni7 n ASN 63 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ni7 n ARG 64 N -0.42 0.00 -3.72 3.52 0.00 -1.26 -4.80 116.66 109.97 1ni7 n ARG 64 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.68 1ni7 n ARG 64 Cb 0.43 -0.91 -0.16 0.00 0.00 0.00 0.00 32.46 31.82 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ni7 s VAL 65 N -1.45 -0.11 -0.08 5.15 1.01 -0.46 -3.74 120.40 120.72 1ni7 s VAL 65 Ca 0.55 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1ni7 s VAL 65 Cb -0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1ni7 s VAL 65 CO 0.56 0.12 -0.19 0.26 0.00 0.00 0.00 175.10 175.86 1ni7 s TRP 66 N 1.59 2.63 -0.11 5.22 0.51 -1.06 0.20 118.94 127.92 1ni7 s TRP 66 Ca -0.03 -0.60 -0.09 0.00 -2.12 0.00 0.00 56.10 53.25 1ni7 s TRP 66 Cb -0.12 -1.69 0.03 0.00 -0.81 0.00 0.00 33.47 30.87 1ni7 s TRP 66 CO -0.04 -0.14 0.28 -1.17 -0.51 0.00 0.00 176.95 175.36 1ni7 s LEU 67 N -0.08 0.83 0.05 2.99 2.96 -0.49 -0.73 118.68 124.20 1ni7 s LEU 67 Ca -0.04 0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1ni7 s LEU 67 Cb -0.14 0.94 -0.02 0.00 0.50 0.00 0.00 46.19 47.47 1ni7 s LEU 67 CO 0.04 -0.11 0.06 -0.83 -1.32 0.00 0.00 176.35 174.19 1ni7 s GLY 68 N 0.34 0.25 0.13 7.98 0.00 0.60 0.24 107.32 116.86 1ni7 s GLY 68 Ca -0.02 -0.75 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 1ni7 s GLY 68 CO -0.01 -0.88 0.98 -2.52 0.00 0.00 0.00 173.10 170.67 1ni7 s TYR 69 N -3.04 -0.14 0.09 1.90 -0.85 -1.26 0.96 117.35 115.01 1ni7 s TYR 69 Ca -0.01 -0.14 -0.20 0.00 -0.52 0.00 0.00 57.07 56.19 1ni7 s TYR 69 Cb 0.01 0.63 0.05 0.00 0.38 0.00 0.00 41.96 43.03 1ni7 s TYR 69 CO -0.07 -0.77 0.49 0.95 -1.52 0.00 0.00 175.55 174.63 1ni7 s THR 70 N -3.21 0.04 -0.01 -3.49 -4.23 -1.26 -5.00 115.64 98.48 1ni7 s THR 70 Ca 0.12 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1ni7 s THR 70 Cb -0.01 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1ni7 s THR 70 CO 0.01 -0.18 0.05 -0.69 -0.54 0.00 0.00 174.62 173.27 1ni7 s VAL 71 N -3.03 4.49 0.65 2.29 1.01 -1.26 -3.30 120.40 121.25 1ni7 s VAL 71 Ca -0.02 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1ni7 s VAL 71 Cb -0.00 -3.02 0.10 0.00 0.00 0.00 0.00 36.38 33.46 1ni7 s VAL 71 CO -0.06 0.38 0.90 0.00 0.00 0.00 0.00 175.10 176.31 1ni7 s ALA 72 N -1.13 4.09 0.42 5.51 0.00 0.28 -4.90 121.76 126.03 1ni7 s ALA 72 Ca 0.21 -1.85 0.39 0.00 0.00 0.00 0.00 51.96 50.71 1ni7 s ALA 72 Cb -0.12 -1.81 2.05 0.00 0.00 0.00 0.00 23.12 23.24 1ni7 s ALA 72 CO 0.12 -1.17 2.20 1.49 0.00 0.00 0.00 175.76 178.39 1ni7 h GLU 73 N -0.21 0.00 0.03 0.00 4.81 -2.00 -0.88 114.58 116.33 1ni7 h GLU 73 Ca -0.35 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.56 1ni7 h GLU 73 Cb 1.28 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 1ni7 h GLU 73 CO 0.41 0.00 -1.90 0.09 -0.73 0.00 0.00 179.01 176.89 1ni7 n ASN 74 N -2.96 1.13 0.00 1.04 3.02 -1.26 -4.99 115.26 111.24 1ni7 n ASN 74 Ca -0.02 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1ni7 n ASN 74 Cb 0.12 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1ni7 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ni7 n GLY 75 N 1.72 1.14 3.21 7.41 0.00 -0.34 -5.11 105.19 113.23 1ni7 n GLY 75 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -0.00 -3.77 1.61 5.02 -1.26 -4.12 118.16 115.64 1ni7 n LYS 76 Ca 0.00 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 1ni7 n LYS 76 Cb 0.00 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.29 0.40 -0.32 1.97 -1.94 -1.10 -0.55 119.30 115.46 1ni7 s MET 77 Ca 0.51 0.38 0.02 0.00 -1.71 0.00 0.00 55.69 54.89 1ni7 s MET 77 Cb -0.27 0.19 0.08 0.00 2.01 0.00 0.00 34.83 36.84 1ni7 s MET 77 CO 0.72 -0.06 0.02 -1.01 -0.01 0.00 0.00 175.02 174.69 1ni7 s HIS 78 N 0.02 3.55 0.46 -0.03 3.76 -1.21 -3.76 115.29 118.09 1ni7 s HIS 78 Ca -0.01 -2.62 -0.21 0.00 -0.15 0.00 0.00 55.06 52.07 1ni7 s HIS 78 Cb -0.03 -2.61 -0.09 0.00 1.11 0.00 0.00 32.58 30.97 1ni7 s HIS 78 CO 0.01 -0.92 1.02 -0.06 -0.85 0.00 0.00 174.74 173.94 1ni7 s PHE 79 N 1.03 3.11 0.27 1.40 0.40 -1.26 -4.12 117.98 118.81 1ni7 s PHE 79 Ca 0.03 1.60 -0.20 0.00 -0.60 0.00 0.00 56.93 57.76 1ni7 s PHE 79 Cb -0.20 -3.02 0.02 0.00 0.51 0.00 0.00 43.02 40.33 1ni7 s PHE 79 CO -0.06 -0.62 0.69 -0.59 0.70 0.00 0.00 175.22 175.34 1ni7 s PHE 80 N -1.98 -0.15 -4.52 0.36 -0.12 0.27 -4.95 117.98 106.88 1ni7 s PHE 80 Ca 0.65 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.25 1ni7 s PHE 80 Cb -0.15 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1ni7 s PHE 80 CO 0.19 -1.19 0.00 0.41 -0.05 0.00 0.00 175.22 174.58 1ni7 n GLY 81 N -0.45 -0.35 2.26 1.99 0.00 -1.26 0.22 105.19 107.61 1ni7 n GLY 81 Ca -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.87 -3.47 1.61 5.75 0.09 -4.89 116.55 114.76 1ni7 n ASP 82 Ca 0.00 -1.36 -0.12 0.00 -0.01 0.00 0.00 54.79 53.30 1ni7 n ASP 82 Cb 0.00 1.40 -0.03 0.00 -1.03 0.00 0.00 41.12 41.46 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 -2.51 -0.50 0.06 -1.12 0.15 -1.26 -2.57 113.70 105.95 1ni7 s SER 83 Ca 0.15 0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 1ni7 s SER 83 Cb -0.01 0.50 -0.28 0.00 -1.71 0.00 0.00 66.02 64.51 1ni7 s SER 83 CO 0.02 -0.76 1.07 -0.08 1.20 0.00 0.00 173.24 174.69 1ni7 h GLU 84 N 2.18 0.27 -7.23 5.44 4.22 -1.88 -3.42 114.58 114.17 1ni7 h GLU 84 Ca -0.28 -0.46 -0.52 0.00 0.08 0.00 0.00 59.36 58.18 1ni7 h GLU 84 Cb 1.25 0.17 0.14 0.00 0.50 0.00 0.00 28.75 30.81 1ni7 h GLU 84 CO 0.35 1.20 0.35 0.20 -2.18 0.00 0.00 179.01 178.92 1ni7 s GLY 85 N -4.73 2.05 -0.11 1.92 0.00 -1.26 -4.92 107.32 100.27 1ni7 s GLY 85 Ca -0.05 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 45.22 1ni7 s GLY 85 CO 0.88 0.98 0.07 3.21 0.00 0.00 0.00 173.10 178.23 1ni7 h ARG 86 N -0.58 0.00 -0.82 2.90 3.08 -1.92 -2.15 114.38 114.89 1ni7 h ARG 86 Ca -0.46 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.60 1ni7 h ARG 86 Cb 1.26 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 1ni7 h ARG 86 CO 0.50 0.12 0.54 0.97 -1.07 0.00 0.00 179.97 181.03 1ni7 h ILE 87 N -1.00 1.21 0.52 2.04 -0.00 -1.85 -1.88 117.51 116.54 1ni7 h ILE 87 Ca -0.00 -0.38 -0.03 0.00 -0.00 0.00 0.00 64.86 64.45 1ni7 h ILE 87 Cb 0.17 0.01 0.01 0.00 -0.00 0.00 0.00 36.82 37.00 1ni7 h ILE 87 CO -0.00 0.20 -0.25 0.58 -0.00 0.00 0.00 178.15 178.68 1ni7 h VAL 88 N 1.10 0.00 -1.69 2.19 2.07 -1.93 0.32 116.25 118.32 1ni7 h VAL 88 Ca 0.30 -0.02 0.51 0.00 0.82 0.00 0.00 66.70 68.31 1ni7 h VAL 88 Cb -0.12 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.56 1ni7 h VAL 88 CO -0.07 0.00 1.18 -0.09 0.02 0.00 0.00 177.57 178.61 1ni7 h ARG 89 N -0.71 0.02 0.01 1.57 2.43 -1.28 0.66 114.38 117.08 1ni7 h ARG 89 Ca -0.07 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ni7 h ARG 89 Cb 0.53 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1ni7 h ARG 89 CO 0.12 0.01 -0.01 0.78 -1.51 0.00 0.00 179.97 179.36 1ni7 h GLY 90 N 0.02 -0.02 -0.63 2.80 0.00 -0.77 -3.24 103.07 101.24 1ni7 h GLY 90 Ca 0.87 0.01 0.38 0.00 0.00 0.00 0.00 47.33 48.59 1ni7 h GLY 90 CO -0.15 -0.01 0.94 1.41 0.00 0.00 0.00 176.54 178.73 1ni7 h LEU 91 N -0.91 0.01 -0.27 3.11 3.38 0.42 0.56 115.31 121.61 1ni7 h LEU 91 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ni7 h LEU 91 Cb 0.81 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1ni7 h LEU 91 CO 0.00 -0.00 -0.10 -0.07 0.09 0.00 0.00 178.44 178.36 1ni7 h LEU 92 N 0.01 -0.35 -0.05 1.67 3.38 -1.28 0.33 115.31 119.00 1ni7 h LEU 92 Ca 0.63 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.70 1ni7 h LEU 92 Cb 2.50 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 43.44 1ni7 h LEU 92 CO -0.01 -0.13 -0.08 0.00 0.09 0.00 0.00 178.44 178.30 1ni7 h ALA 93 N 1.20 -0.39 -0.86 1.53 0.00 -0.02 1.51 119.26 122.24 1ni7 h ALA 93 Ca 0.14 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1ni7 h ALA 93 Cb 0.26 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 18.65 1ni7 h ALA 93 CO -0.31 -0.42 0.07 0.28 0.00 0.00 0.00 179.25 178.87 1ni7 h VAL 94 N -0.06 0.24 -0.16 0.00 2.07 -1.54 1.33 116.25 118.13 1ni7 h VAL 94 Ca 0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ni7 h VAL 94 Cb 0.09 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1ni7 h VAL 94 CO -0.08 0.02 0.02 0.25 0.02 0.00 0.00 177.57 177.80 1ni7 h LEU 95 N 0.11 -0.02 -1.69 2.57 6.46 0.11 0.47 115.31 123.32 1ni7 h LEU 95 Ca 0.50 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.25 1ni7 h LEU 95 Cb 0.97 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1ni7 h LEU 95 CO -0.74 0.02 -0.18 -0.07 -0.62 0.00 0.00 178.44 176.85 1ni7 h LEU 96 N 0.08 0.00 -0.46 2.25 3.38 0.78 -1.19 115.31 120.14 1ni7 h LEU 96 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1ni7 h LEU 96 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ni7 h LEU 96 CO -0.10 0.18 -0.69 0.74 0.09 0.00 0.00 178.44 178.66 1ni7 h THR 97 N 0.00 1.38 0.00 0.22 2.02 0.31 -2.77 112.91 114.07 1ni7 h THR 97 Ca -0.00 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1ni7 h THR 97 Cb 0.36 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1ni7 h THR 97 CO 0.02 0.68 0.00 0.00 0.37 0.00 0.00 175.52 176.59 1ni7 h ALA 98 N 1.31 1.00 -0.39 6.16 0.00 0.11 -2.83 119.26 124.62 1ni7 h ALA 98 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1ni7 h ALA 98 Cb 1.31 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 1ni7 h ALA 98 CO 0.09 0.00 -0.18 1.33 0.00 0.00 0.00 179.25 180.49 1ni7 n VAL 99 N -2.69 2.57 -1.54 0.00 0.24 -0.96 -4.82 118.33 111.13 1ni7 n VAL 99 Ca 0.03 -3.02 -0.26 0.00 -2.04 0.00 0.00 64.34 59.05 1ni7 n VAL 99 Cb 0.38 -0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 32.21 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 0.62 -3.47 7.34 2.13 -1.07 -3.33 120.64 121.79 1ni7 n GLU 100 Ca 0.34 -0.35 -0.30 0.00 0.66 0.00 0.00 57.16 57.51 1ni7 n GLU 100 Cb 0.97 -3.08 0.02 0.00 0.27 0.00 0.00 31.44 29.62 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 6.33 -0.42 3.15 8.31 0.00 -1.26 -5.00 105.19 116.31 1ni7 n GLY 101 Ca 0.48 1.02 -0.09 0.00 0.00 0.00 0.00 46.02 47.43 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 -3.06 0.71 0.54 1.61 1.02 -1.21 -4.88 119.74 114.46 1ni7 s LYS 102 Ca 0.26 -0.91 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 1ni7 s LYS 102 Cb -0.03 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1ni7 s LYS 102 CO 0.86 -0.19 0.88 0.95 -0.92 0.00 0.00 175.35 176.93 1ni7 s THR 103 N -3.36 4.71 0.22 2.17 -4.23 -1.26 -2.71 115.64 111.18 1ni7 s THR 103 Ca 0.01 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 60.85 1ni7 s THR 103 Cb 0.03 -3.82 0.17 0.00 1.34 0.00 0.00 72.50 70.21 1ni7 s THR 103 CO -0.08 -0.91 1.77 0.00 -0.54 0.00 0.00 174.62 174.87 1ni7 h ALA 104 N -0.00 0.94 0.43 3.99 0.00 -1.94 -0.15 119.26 122.53 1ni7 h ALA 104 Ca -0.46 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ni7 h ALA 104 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ni7 h ALA 104 CO 0.62 -0.07 -0.21 0.00 0.00 0.00 0.00 179.25 179.60 1ni7 h ALA 105 N 1.42 -0.58 -1.05 0.00 0.00 -1.93 -1.78 119.26 115.35 1ni7 h ALA 105 Ca 0.34 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.38 1ni7 h ALA 105 Cb 0.36 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1ni7 h ALA 105 CO -0.27 -0.81 0.68 0.93 0.00 0.00 0.00 179.25 179.79 1ni7 h GLU 106 N -0.61 0.34 0.23 0.00 5.08 -1.73 0.20 114.58 118.09 1ni7 h GLU 106 Ca -0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1ni7 h GLU 106 Cb 0.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ni7 h GLU 106 CO 0.10 0.23 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.15 1ni7 h LEU 107 N 0.35 -0.26 -2.75 1.33 3.38 -0.34 -1.11 115.31 115.92 1ni7 h LEU 107 Ca 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1ni7 h LEU 107 Cb 1.57 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1ni7 h LEU 107 CO -0.26 -0.01 0.00 1.56 0.09 0.00 0.00 178.44 179.82 1ni7 h GLN 108 N -0.51 0.00 0.00 1.13 4.20 0.09 0.42 115.11 120.45 1ni7 h GLN 108 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ni7 h GLN 108 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ni7 h GLN 108 CO 0.05 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 178.00 1ni7 h ALA 109 N 1.99 0.89 -2.74 3.87 0.00 -0.24 -3.42 119.26 119.62 1ni7 h ALA 109 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1ni7 h ALA 109 Cb 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.42 1ni7 h ALA 109 CO -0.00 0.00 -0.69 -1.14 0.00 0.00 0.00 179.25 177.42 1ni7 s GLN 110 N -3.23 0.14 0.19 0.00 0.74 0.15 -5.07 119.66 112.57 1ni7 s GLN 110 Ca 0.06 0.02 -0.32 0.00 0.05 0.00 0.00 55.36 55.17 1ni7 s GLN 110 Cb 0.06 -1.43 -0.11 0.00 1.10 0.00 0.00 33.01 32.63 1ni7 s GLN 110 CO 0.69 -0.70 1.62 -1.54 -0.55 0.00 0.00 175.29 174.81 1ni7 s SER 111 N 2.24 6.50 0.46 6.67 1.04 -1.22 -4.58 113.70 124.81 1ni7 s SER 111 Ca 0.05 2.73 0.28 0.00 0.48 0.00 0.00 55.95 59.49 1ni7 s SER 111 Cb -0.16 -2.60 0.88 0.00 0.10 0.00 0.00 66.02 64.24 1ni7 s SER 111 CO -0.13 -0.88 1.80 1.55 0.98 0.00 0.00 173.24 176.55 1ni7 h PRO 112 N 6.64 0.00 0.00 4.02 0.13 -1.88 -2.82 132.00 138.09 1ni7 h PRO 112 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ni7 h PRO 112 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ni7 h PRO 112 CO 0.92 0.00 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.60 1ni7 h LEU 113 N 0.00 0.00 0.23 1.56 3.38 -1.98 -2.97 115.31 115.54 1ni7 h LEU 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ni7 h LEU 113 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1ni7 h LEU 113 CO 0.00 0.02 -0.47 0.00 0.09 0.00 0.00 178.44 178.08 1ni7 h ALA 114 N 1.98 -1.01 -1.00 1.53 0.00 -1.89 -1.02 119.26 117.85 1ni7 h ALA 114 Ca -0.00 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ni7 h ALA 114 Cb 0.26 0.80 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1ni7 h ALA 114 CO 0.00 -1.10 -0.58 -0.11 0.00 0.00 0.00 179.25 177.47 1ni7 n LEU 115 N -5.18 -1.03 -0.34 0.00 0.00 -1.12 0.19 117.00 109.51 1ni7 n LEU 115 Ca -0.09 1.77 0.22 0.00 0.00 0.00 0.00 56.01 57.92 1ni7 n LEU 115 Cb 0.39 -0.24 0.47 0.00 0.00 0.00 0.00 43.42 44.04 1ni7 n LEU 115 CO 0.17 -1.45 1.19 -0.26 0.00 0.00 0.00 177.39 177.04 1ni7 h PHE 116 N 0.00 0.79 -0.01 1.96 0.04 -1.56 1.05 116.94 119.21 1ni7 h PHE 116 Ca 0.17 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1ni7 h PHE 116 Cb 0.42 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1ni7 h PHE 116 CO -1.02 0.02 -0.04 0.38 -0.60 0.00 0.00 178.31 177.05 1ni7 h ASP 117 N 0.43 0.05 -0.76 2.17 3.04 0.34 1.81 116.42 123.50 1ni7 h ASP 117 Ca 0.64 -0.68 0.06 0.00 -3.24 0.00 0.00 57.03 53.81 1ni7 h ASP 117 Cb 1.51 -0.02 -0.06 0.00 -1.04 0.00 0.00 39.33 39.72 1ni7 h ASP 117 CO -0.39 0.73 0.46 -0.33 -2.04 0.00 0.00 179.24 177.66 1ni7 h GLU 118 N -0.62 0.82 -0.02 4.15 4.39 0.35 -0.82 114.58 122.83 1ni7 h GLU 118 Ca -0.00 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1ni7 h GLU 118 Cb 0.73 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1ni7 h GLU 118 CO 0.01 0.54 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.59 1ni7 h LEU 119 N 0.84 0.14 -0.44 1.33 3.38 0.98 -3.48 115.31 118.05 1ni7 h LEU 119 Ca 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ni7 h LEU 119 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ni7 h LEU 119 CO -0.17 0.82 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1ni7 n GLY 120 N 0.56 0.98 0.09 0.83 0.00 0.90 -4.97 105.19 103.59 1ni7 n GLY 120 Ca -0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -2.69 0.99 3.38 0.23 -3.33 115.31 113.89 1ni7 h LEU 121 Ca 0.00 -0.68 -0.17 0.00 0.09 0.00 0.00 57.88 57.12 1ni7 h LEU 121 Cb 0.44 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1ni7 h LEU 121 CO 0.00 1.22 0.22 -1.14 0.09 0.00 0.00 178.44 178.83 1ni7 n ARG 122 N -4.53 1.42 0.19 1.13 0.00 -1.19 -4.29 116.66 109.39 1ni7 n ARG 122 Ca -0.21 -0.99 -0.09 0.00 -0.00 0.00 0.00 57.85 56.56 1ni7 n ARG 122 Cb 0.56 -1.39 -0.05 0.00 0.00 0.00 0.00 32.46 31.58 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ni7 h ALA 123 N 1.65 -1.05 0.00 5.13 0.00 -1.84 -3.35 119.26 119.80 1ni7 h ALA 123 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ni7 h ALA 123 Cb 1.58 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1ni7 h ALA 123 CO 0.37 -1.04 -0.31 0.94 0.00 0.00 0.00 179.25 179.22 1ni7 n GLN 124 N -3.79 0.84 -1.71 0.00 -0.06 -1.26 -5.06 117.38 106.34 1ni7 n GLN 124 Ca -0.07 -2.18 -0.61 0.00 -2.00 0.00 0.00 57.00 52.14 1ni7 n GLN 124 Cb 0.24 -1.10 -0.08 0.00 -4.06 0.00 0.00 30.24 25.24 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ni7 n LEU 125 N -0.81 1.84 -3.99 1.69 4.77 -1.26 -4.77 117.00 114.48 1ni7 n LEU 125 Ca 0.11 1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 56.84 1ni7 n LEU 125 Cb 0.71 -1.04 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1ni7 n LEU 125 CO -0.00 -0.66 -0.59 -0.24 -1.33 0.00 0.00 177.39 174.57 1ni7 n SER 126 N 4.61 -3.37 0.02 -1.43 2.88 -1.26 -4.21 113.62 110.86 1ni7 n SER 126 Ca 0.28 0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1ni7 n SER 126 Cb 0.06 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 62.68 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ni7 h ALA 127 N 0.02 -0.39 -0.82 -1.46 0.00 -1.98 0.59 119.26 115.22 1ni7 h ALA 127 Ca -0.38 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.67 1ni7 h ALA 127 Cb 1.36 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 19.60 1ni7 h ALA 127 CO 0.40 -0.80 -0.38 0.77 0.00 0.00 0.00 179.25 179.24 1ni7 h SER 128 N -0.41 -1.36 -0.32 0.00 0.02 -2.00 0.33 113.55 109.81 1ni7 h SER 128 Ca 0.09 0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1ni7 h SER 128 Cb 0.54 0.69 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1ni7 h SER 128 CO -0.32 -0.30 0.12 0.03 -1.14 0.00 0.00 176.83 175.22 1ni7 h ARG 129 N -0.08 0.48 -0.49 3.45 3.08 -1.62 -2.94 114.38 116.26 1ni7 h ARG 129 Ca 0.29 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.34 1ni7 h ARG 129 Cb 0.57 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 1ni7 h ARG 129 CO -0.85 0.49 -0.32 1.03 -1.07 0.00 0.00 179.97 179.25 1ni7 h SER 130 N 0.36 -1.10 -0.93 7.04 0.87 0.37 0.59 113.55 120.75 1ni7 h SER 130 Ca 0.10 0.21 0.21 0.00 -1.23 0.00 0.00 61.79 61.08 1ni7 h SER 130 Cb 0.20 0.53 -0.07 0.00 -0.44 0.00 0.00 62.40 62.62 1ni7 h SER 130 CO -0.01 -0.31 0.61 1.56 -0.53 0.00 0.00 176.83 178.15 1ni7 h GLN 131 N -0.20 0.45 0.52 2.24 4.20 -0.47 -1.48 115.11 120.36 1ni7 h GLN 131 Ca 0.20 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1ni7 h GLN 131 Cb 0.54 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1ni7 h GLN 131 CO -0.60 0.30 -0.25 0.78 -0.67 0.00 0.00 178.83 178.39 1ni7 h GLY 132 N 0.46 -0.72 -0.65 3.46 0.00 0.29 -1.84 103.07 104.08 1ni7 h GLY 132 Ca 0.50 0.27 0.21 0.00 0.00 0.00 0.00 47.33 48.30 1ni7 h GLY 132 CO -0.22 -0.26 -0.02 -2.00 0.00 0.00 0.00 176.54 174.04 1ni7 h LEU 133 N -0.92 -0.47 0.67 3.11 6.46 -0.13 1.44 115.31 125.47 1ni7 h LEU 133 Ca -0.07 0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1ni7 h LEU 133 Cb 0.61 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 1ni7 h LEU 133 CO 0.12 -0.26 -0.45 0.78 -0.62 0.00 0.00 178.44 178.01 1ni7 h ASN 134 N 0.06 -1.16 -0.90 1.25 2.35 -1.31 0.28 115.58 116.15 1ni7 h ASN 134 Ca 0.48 0.07 0.16 0.00 -0.55 0.00 0.00 56.30 56.46 1ni7 h ASN 134 Cb 0.89 0.35 -0.10 0.00 0.05 0.00 0.00 38.32 39.51 1ni7 h ASN 134 CO -0.80 -0.67 0.49 0.00 -1.65 0.00 0.00 177.43 174.80 1ni7 h ALA 135 N -1.20 1.40 0.09 -0.83 0.00 0.01 1.05 119.26 119.79 1ni7 h ALA 135 Ca -0.09 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ni7 h ALA 135 Cb 0.86 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1ni7 h ALA 135 CO 0.07 -0.07 -0.38 -0.07 0.00 0.00 0.00 179.25 178.80 1ni7 h LEU 136 N 0.68 -1.14 -0.15 0.00 3.38 0.24 0.19 115.31 118.51 1ni7 h LEU 136 Ca 0.50 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 1ni7 h LEU 136 Cb 0.72 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1ni7 h LEU 136 CO -0.37 -0.46 0.03 -1.28 0.09 0.00 0.00 178.44 176.45 1ni7 h SER 137 N -0.60 0.24 -1.11 -0.43 0.87 0.45 -2.62 113.55 110.36 1ni7 h SER 137 Ca 0.03 -0.25 0.31 0.00 -1.23 0.00 0.00 61.79 60.64 1ni7 h SER 137 Cb 0.64 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.45 1ni7 h SER 137 CO -0.24 0.44 0.73 -0.33 -0.53 0.00 0.00 176.83 176.89 1ni7 h GLU 138 N 0.04 0.27 -0.71 2.24 4.39 0.15 0.70 114.58 121.66 1ni7 h GLU 138 Ca 0.05 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1ni7 h GLU 138 Cb 0.29 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.81 1ni7 h GLU 138 CO 0.00 0.18 0.34 0.00 -1.16 0.00 0.00 179.01 178.37 1ni7 h ALA 139 N 1.58 0.97 -0.07 3.43 0.00 -0.23 0.49 119.26 125.43 1ni7 h ALA 139 Ca 0.63 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 55.36 1ni7 h ALA 139 Cb 1.80 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.58 1ni7 h ALA 139 CO -0.27 -0.08 -0.89 0.82 0.00 0.00 0.00 179.25 178.83 1ni7 h ILE 140 N 0.57 1.28 -0.45 0.00 2.04 0.24 -2.40 117.51 118.79 1ni7 h ILE 140 Ca 0.35 -2.10 0.07 0.00 1.00 0.00 0.00 64.86 64.19 1ni7 h ILE 140 Cb 0.40 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 1ni7 h ILE 140 CO -0.29 0.66 0.09 0.40 0.00 0.00 0.00 178.15 179.01 1ni7 h ILE 141 N 0.44 0.76 -0.56 -0.67 1.08 0.24 1.33 117.51 120.13 1ni7 h ILE 141 Ca -0.09 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 1ni7 h ILE 141 Cb 1.54 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1ni7 h ILE 141 CO 0.18 0.04 0.14 0.00 -0.69 0.00 0.00 178.15 177.83 1ni7 h ALA 142 N 1.34 1.20 0.33 1.87 0.00 -0.09 0.18 119.26 124.09 1ni7 h ALA 142 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ni7 h ALA 142 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ni7 h ALA 142 CO -0.28 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.36 1ni7 h ALA 143 N 1.33 -0.44 -0.69 0.00 0.00 -0.42 -3.09 119.26 115.95 1ni7 h ALA 143 Ca 0.18 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1ni7 h ALA 143 Cb 0.29 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1ni7 h ALA 143 CO -0.00 -0.57 0.33 1.79 0.00 0.00 0.00 179.25 180.80 1ni7 h THR 144 N -0.80 0.83 -1.17 0.00 1.35 0.18 0.15 112.91 113.45 1ni7 h THR 144 Ca -0.05 -0.19 0.33 0.00 -0.55 0.00 0.00 66.41 65.95 1ni7 h THR 144 Cb 0.52 0.22 -0.08 0.00 -1.73 0.00 0.00 68.15 67.07 1ni7 h THR 144 CO 0.07 0.10 0.79 0.11 -0.25 0.00 0.00 175.52 176.35 1ni7 h LYS 145 N 0.56 0.18 -0.00 4.72 1.57 -0.60 1.60 116.57 124.60 1ni7 h LYS 145 Ca 0.34 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1ni7 h LYS 145 Cb 0.38 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ni7 h LYS 145 CO -0.28 0.12 -0.00 0.37 -0.57 0.00 0.00 179.45 179.09 1ni7 h GLN 146 N 0.18 0.00 -0.87 3.15 -0.00 -0.64 -0.94 115.11 115.99 1ni7 h GLN 146 Ca 0.63 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.25 1ni7 h GLN 146 Cb 2.03 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 29.47 1ni7 h GLN 146 CO -0.19 0.76 0.47 0.28 0.00 0.00 0.00 178.83 180.15 1ni7 h VAL 147 N -0.75 1.26 0.00 2.39 2.07 0.01 -0.86 116.25 120.37 1ni7 h VAL 147 Ca -0.00 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1ni7 h VAL 147 Cb 0.76 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ni7 h VAL 147 CO 0.00 0.29 -0.35 -0.07 0.02 0.00 0.00 177.57 177.46 1ni7 h LEU 148 N 1.23 0.00 0.00 2.57 3.38 0.21 -3.50 115.31 119.19 1ni7 h LEU 148 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ni7 h LEU 148 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ni7 h LEU 148 CO -0.05 0.35 0.00 -0.62 0.09 0.00 0.00 178.44 178.21