#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni7 n THR 2 N 0.00 0.03 -4.36 2.03 5.66 -1.26 -5.00 114.28 111.37 1ni7 n THR 2 Ca 0.00 -0.35 -0.26 0.00 -3.05 0.00 0.00 64.05 60.39 1ni7 n THR 2 Cb 0.00 -0.32 -0.12 0.00 -1.55 0.00 0.00 70.33 68.34 1ni7 n THR 2 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1ni7 s ASN 3 N -1.51 3.06 0.12 1.09 -0.87 -1.26 -5.11 114.94 110.46 1ni7 s ASN 3 Ca 0.49 -0.78 -0.30 0.00 -1.57 0.00 0.00 52.86 50.69 1ni7 s ASN 3 Cb -0.20 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.25 40.76 1ni7 s ASN 3 CO 0.75 0.10 1.14 -2.16 -2.57 0.00 0.00 177.10 174.36 1ni7 s PRO 4 N -2.30 4.52 -0.11 -0.60 0.04 -1.26 -5.03 135.00 130.26 1ni7 s PRO 4 Ca 0.14 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 1ni7 s PRO 4 Cb -0.09 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.19 1ni7 s PRO 4 CO 0.07 -0.07 0.25 -0.65 0.04 0.00 0.00 177.00 176.64 1ni7 s GLN 5 N 0.25 0.21 -0.23 4.56 -1.52 -1.26 -5.07 119.66 116.61 1ni7 s GLN 5 Ca 0.53 0.54 -0.04 0.00 -1.95 0.00 0.00 55.36 54.44 1ni7 s GLN 5 Cb -0.29 -0.12 0.09 0.00 -0.22 0.00 0.00 33.01 32.48 1ni7 s GLN 5 CO 0.33 -0.16 0.19 -0.06 -0.25 0.00 0.00 175.29 175.33 1ni7 s PHE 6 N 1.25 -0.11 -0.30 0.91 0.40 -1.26 -5.00 117.98 113.88 1ni7 s PHE 6 Ca -0.09 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1ni7 s PHE 6 Cb -0.10 -0.54 0.33 0.00 0.51 0.00 0.00 43.02 43.22 1ni7 s PHE 6 CO -0.09 -0.67 1.44 0.00 0.70 0.00 0.00 175.22 176.60 1ni7 n ALA 7 N 5.30 -3.53 -1.20 5.36 0.00 -1.26 -4.94 120.51 120.24 1ni7 n ALA 7 Ca -0.05 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1ni7 n ALA 7 Cb 0.48 -3.43 -0.12 0.00 0.00 0.00 0.00 19.45 16.38 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 8 N 0.59 3.59 3.62 0.00 0.00 -1.26 -4.93 105.19 106.79 1ni7 n GLY 8 Ca -0.07 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 1ni7 n GLY 8 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ni7 n HIS 9 N 2.39 2.16 1.31 1.61 1.44 -1.26 -4.80 115.22 118.07 1ni7 n HIS 9 Ca 0.52 -0.12 0.12 0.00 -2.01 0.00 0.00 57.72 56.23 1ni7 n HIS 9 Cb 0.69 -2.71 0.65 0.00 0.12 0.00 0.00 29.99 28.74 1ni7 n HIS 9 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1ni7 n PRO 10 N 7.85 0.55 -0.97 -1.40 -0.04 -1.26 -4.31 135.00 135.42 1ni7 n PRO 10 Ca 0.27 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 1ni7 n PRO 10 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1ni7 n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ni7 n PHE 11 N -1.13 1.78 0.00 0.54 3.72 -1.26 -0.45 117.46 120.66 1ni7 n PHE 11 Ca 0.15 -2.28 0.00 0.00 -0.05 0.00 0.00 57.45 55.27 1ni7 n PHE 11 Cb 0.13 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 1ni7 n PHE 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ni7 n GLY 12 N 3.81 0.04 0.00 1.37 0.00 -0.37 -0.65 105.19 109.40 1ni7 n GLY 12 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.15 2.61 -1.04 -1.04 -4.70 114.28 109.96 1ni7 n THR 13 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1ni7 n THR 13 Cb 0.00 -0.40 0.06 0.00 -1.82 0.00 0.00 70.33 68.17 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 0.76 -3.16 12.58 2.02 -1.93 -3.33 112.91 119.84 1ni7 h THR 14 Ca 0.00 -0.09 -0.71 0.00 0.77 0.00 0.00 66.41 66.38 1ni7 h THR 14 Cb 0.00 0.48 -0.21 0.00 -1.74 0.00 0.00 68.15 66.68 1ni7 h THR 14 CO 0.00 0.05 -0.08 -0.69 0.37 0.00 0.00 175.52 175.17 1ni7 s VAL 15 N -6.14 5.01 0.49 3.16 1.01 0.40 -4.78 120.40 119.55 1ni7 s VAL 15 Ca -0.13 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1ni7 s VAL 15 Cb 0.15 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1ni7 s VAL 15 CO 0.72 -0.83 0.02 0.35 0.00 0.00 0.00 175.10 175.37 1ni7 n THR 16 N 5.43 0.00 0.25 3.92 -2.24 -1.25 -1.23 114.28 119.16 1ni7 n THR 16 Ca -0.10 -2.37 0.09 0.00 -2.27 0.00 0.00 64.05 59.40 1ni7 n THR 16 Cb 0.43 0.53 0.64 0.00 -2.10 0.00 0.00 70.33 69.84 1ni7 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ni7 h ALA 17 N 1.32 1.54 0.02 6.98 0.00 -1.94 0.63 119.26 127.80 1ni7 h ALA 17 Ca -0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ni7 h ALA 17 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ni7 h ALA 17 CO 0.66 0.16 -0.01 1.49 0.00 0.00 0.00 179.25 181.56 1ni7 h GLU 18 N 0.00 -0.02 -0.69 0.00 4.57 -1.97 -2.94 114.58 113.53 1ni7 h GLU 18 Ca -0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 1ni7 h GLU 18 Cb 0.27 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.76 1ni7 h GLU 18 CO 0.02 -0.02 0.13 1.15 -1.18 0.00 0.00 179.01 179.11 1ni7 h THR 19 N -0.89 0.53 -0.64 0.32 2.02 -1.85 0.58 112.91 112.98 1ni7 h THR 19 Ca -0.00 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1ni7 h THR 19 Cb 0.02 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 1ni7 h THR 19 CO 0.00 0.04 0.42 -0.07 0.37 0.00 0.00 175.52 176.29 1ni7 h LEU 20 N 0.23 0.60 -2.01 2.58 3.38 -1.01 0.15 115.31 119.23 1ni7 h LEU 20 Ca 0.38 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1ni7 h LEU 20 Cb 0.63 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ni7 h LEU 20 CO -0.50 0.40 -0.06 -0.09 0.09 0.00 0.00 178.44 178.28 1ni7 h ARG 21 N 0.69 0.00 -0.23 1.13 2.43 0.34 -0.25 114.38 118.49 1ni7 h ARG 21 Ca 0.27 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 1ni7 h ARG 21 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1ni7 h ARG 21 CO -0.08 0.06 -0.29 -0.97 -1.51 0.00 0.00 179.97 177.18 1ni7 h ASN 22 N 0.00 0.47 0.18 -3.80 -0.73 -0.17 1.40 115.58 112.93 1ni7 h ASN 22 Ca -0.00 -0.17 -0.19 0.00 1.87 0.00 0.00 56.30 57.81 1ni7 h ASN 22 Cb 0.12 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 1ni7 h ASN 22 CO 0.01 0.75 -0.72 0.74 -0.37 0.00 0.00 177.43 177.83 1ni7 h THR 23 N 0.40 1.36 0.00 -3.57 2.02 -0.97 -3.15 112.91 109.00 1ni7 h THR 23 Ca 0.05 -2.09 -0.08 0.00 0.77 0.00 0.00 66.41 65.07 1ni7 h THR 23 Cb 0.72 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1ni7 h THR 23 CO 0.05 0.63 -0.85 -0.26 0.37 0.00 0.00 175.52 175.47 1ni7 h PHE 24 N 0.33 0.00 -0.97 3.16 0.04 -1.03 -3.31 116.94 115.15 1ni7 h PHE 24 Ca -0.03 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.88 1ni7 h PHE 24 Cb 1.30 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.30 1ni7 h PHE 24 CO 0.05 0.31 -0.40 0.00 -0.60 0.00 0.00 178.31 177.67 1ni7 n ALA 25 N -2.25 -0.17 0.00 2.45 0.00 0.48 -0.46 120.51 120.56 1ni7 n ALA 25 Ca -0.02 0.96 -0.18 0.00 0.00 0.00 0.00 53.44 54.20 1ni7 n ALA 25 Cb 0.68 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 0.55 -5.93 0.00 0.13 -1.72 -3.41 132.00 121.62 1ni7 h PRO 26 Ca 0.32 -0.54 -0.46 0.00 -0.87 0.00 0.00 66.00 64.45 1ni7 h PRO 26 Cb 0.56 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.80 1ni7 h PRO 26 CO -0.96 1.16 1.25 -0.51 -0.23 0.00 0.00 178.00 178.71 1ni7 s LEU 27 N -8.35 3.27 0.01 1.56 1.43 0.39 -4.72 118.68 112.27 1ni7 s LEU 27 Ca -0.12 0.16 0.22 0.00 -1.03 0.00 0.00 54.13 53.36 1ni7 s LEU 27 Cb 0.05 -2.53 -0.21 0.00 0.03 0.00 0.00 46.19 43.53 1ni7 s LEU 27 CO 0.86 -2.45 0.74 0.41 0.23 0.00 0.00 176.35 176.14 1ni7 n THR 28 N 7.33 0.07 -3.08 5.49 -1.04 -1.26 -4.73 114.28 117.06 1ni7 n THR 28 Ca 0.24 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 1ni7 n THR 28 Cb 0.51 0.29 -0.06 0.00 -1.82 0.00 0.00 70.33 69.25 1ni7 n THR 28 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1ni7 s GLN 29 N -3.30 3.78 0.30 -2.82 -0.21 -1.26 -4.92 119.66 111.23 1ni7 s GLN 29 Ca -0.01 0.20 0.04 0.00 0.02 0.00 0.00 55.36 55.62 1ni7 s GLN 29 Cb 0.14 -3.78 0.80 0.00 1.00 0.00 0.00 33.01 31.17 1ni7 s GLN 29 CO 0.87 -0.69 1.62 2.35 -2.12 0.00 0.00 175.29 177.32 1ni7 h TRP 30 N 8.34 0.29 -0.98 0.91 7.01 -1.92 0.78 115.95 130.37 1ni7 h TRP 30 Ca -0.26 0.06 0.24 0.00 2.11 0.00 0.00 58.89 61.03 1ni7 h TRP 30 Cb 1.11 0.02 -0.18 0.00 -2.10 0.00 0.00 29.16 28.01 1ni7 h TRP 30 CO 0.76 -0.31 -0.09 1.05 -2.79 0.00 0.00 178.44 177.06 1ni7 h GLU 31 N 0.12 0.01 -0.25 2.65 4.11 -1.98 1.12 114.58 120.36 1ni7 h GLU 31 Ca 0.60 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 60.00 1ni7 h GLU 31 Cb 1.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1ni7 h GLU 31 CO -0.75 0.00 0.05 -0.44 0.07 0.00 0.00 179.01 177.94 1ni7 h ASP 32 N 0.01 0.40 -0.17 3.06 3.32 0.16 0.56 116.42 123.76 1ni7 h ASP 32 Ca 0.54 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.39 1ni7 h ASP 32 Cb 1.01 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 1ni7 h ASP 32 CO -0.96 0.55 -0.24 0.11 -1.72 0.00 0.00 179.24 176.98 1ni7 h LYS 33 N 0.23 -0.27 0.00 3.56 1.57 0.14 1.29 116.57 123.08 1ni7 h LYS 33 Ca 0.08 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ni7 h LYS 33 Cb 0.32 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ni7 h LYS 33 CO 0.00 -0.18 -0.15 -0.92 -0.57 0.00 0.00 179.45 177.63 1ni7 h TYR 34 N -0.29 0.00 0.20 -1.35 3.20 0.04 0.14 116.97 118.92 1ni7 h TYR 34 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1ni7 h TYR 34 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1ni7 h TYR 34 CO -0.36 0.15 -0.10 -0.09 -1.64 0.00 0.00 178.16 176.13 1ni7 h ARG 35 N 0.00 -0.26 -0.82 1.82 2.43 0.15 -3.24 114.38 114.46 1ni7 h ARG 35 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1ni7 h ARG 35 Cb 0.27 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1ni7 h ARG 35 CO 0.02 0.06 0.50 0.37 -1.51 0.00 0.00 179.97 179.41 1ni7 h GLN 36 N -0.97 0.89 -0.87 0.20 5.75 0.17 -1.70 115.11 118.57 1ni7 h GLN 36 Ca -0.03 -0.05 0.21 0.00 -0.15 0.00 0.00 58.65 58.63 1ni7 h GLN 36 Cb 0.45 -0.20 -0.16 0.00 1.07 0.00 0.00 27.48 28.64 1ni7 h GLN 36 CO 0.05 0.59 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.74 1ni7 h LEU 37 N 0.92 -0.45 -0.82 -2.39 3.38 -0.80 1.45 115.31 116.59 1ni7 h LEU 37 Ca 0.36 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.68 1ni7 h LEU 37 Cb 0.16 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1ni7 h LEU 37 CO -0.17 -0.26 0.45 0.40 0.09 0.00 0.00 178.44 178.95 1ni7 h ILE 38 N 0.06 0.85 -0.67 1.22 2.04 -1.33 -0.55 117.51 119.12 1ni7 h ILE 38 Ca 0.49 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1ni7 h ILE 38 Cb 0.92 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1ni7 h ILE 38 CO -0.80 0.13 0.42 -0.03 0.00 0.00 0.00 178.15 177.87 1ni7 h MET 39 N 0.73 0.90 -1.33 2.37 4.05 0.20 -1.55 114.93 120.29 1ni7 h MET 39 Ca 0.41 -0.07 0.39 0.00 -0.28 0.00 0.00 59.70 60.15 1ni7 h MET 39 Cb 0.45 -0.19 -0.08 0.00 -0.80 0.00 0.00 31.60 30.97 1ni7 h MET 39 CO -0.28 0.62 0.91 -0.07 0.23 0.00 0.00 176.91 178.32 1ni7 h LEU 40 N 0.91 0.16 -0.09 3.39 -0.00 0.39 0.69 115.31 120.74 1ni7 h LEU 40 Ca 0.24 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 58.12 1ni7 h LEU 40 Cb -0.06 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1ni7 h LEU 40 CO -0.05 -0.03 -0.14 1.23 -0.00 0.00 0.00 178.44 179.45 1ni7 h GLY 41 N 0.11 0.29 -0.67 0.83 0.00 -1.21 -3.19 103.07 99.23 1ni7 h GLY 41 Ca 0.70 -0.32 0.20 0.00 0.00 0.00 0.00 47.33 47.91 1ni7 h GLY 41 CO -0.17 0.29 -0.07 0.50 0.00 0.00 0.00 176.54 177.08 1ni7 h LYS 42 N -0.18 0.04 -0.43 4.80 1.79 0.44 0.54 116.57 123.57 1ni7 h LYS 42 Ca 0.01 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1ni7 h LYS 42 Cb 0.70 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.26 1ni7 h LYS 42 CO 0.03 0.03 -0.14 1.96 -1.08 0.00 0.00 179.45 180.25 1ni7 h GLN 43 N 0.04 -0.04 -6.30 3.15 4.20 -1.47 -3.41 115.11 111.28 1ni7 h GLN 43 Ca 0.47 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.52 1ni7 h GLN 43 Cb 0.83 0.01 0.04 0.00 0.30 0.00 0.00 27.48 28.65 1ni7 h GLN 43 CO -0.82 -0.03 0.75 -0.11 -0.67 0.00 0.00 178.83 177.95 1ni7 n LEU 44 N -5.35 2.47 -4.80 1.46 7.94 0.19 -4.92 117.00 114.00 1ni7 n LEU 44 Ca 0.03 1.08 -0.33 0.00 -1.11 0.00 0.00 56.01 55.67 1ni7 n LEU 44 Cb 0.25 -1.27 -0.02 0.00 0.53 0.00 0.00 43.42 42.92 1ni7 n LEU 44 CO 0.13 -0.56 0.71 -2.16 -1.11 0.00 0.00 177.39 174.40 1ni7 s PRO 45 N 1.87 3.61 -0.45 1.96 0.04 -1.26 -4.90 135.00 135.87 1ni7 s PRO 45 Ca 0.88 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 1ni7 s PRO 45 Cb -0.87 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.52 1ni7 s PRO 45 CO 0.50 -0.58 2.38 0.00 0.04 0.00 0.00 177.00 179.34 1ni7 n ALA 46 N -1.45 1.02 -1.60 8.56 0.00 -1.26 -4.83 120.51 120.95 1ni7 n ALA 46 Ca 0.09 -0.70 -0.48 0.00 0.00 0.00 0.00 53.44 52.35 1ni7 n ALA 46 Cb 0.53 -3.06 -0.05 0.00 0.00 0.00 0.00 19.45 16.86 1ni7 n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ni7 n LEU 47 N 14.36 3.02 -4.78 0.00 7.94 -1.26 -4.93 117.00 131.34 1ni7 n LEU 47 Ca 0.37 0.65 -0.29 0.00 -1.11 0.00 0.00 56.01 55.62 1ni7 n LEU 47 Cb 0.48 -1.38 0.17 0.00 0.53 0.00 0.00 43.42 43.22 1ni7 n LEU 47 CO 0.71 -0.39 0.73 -2.16 -1.11 0.00 0.00 177.39 175.17 1ni7 s PRO 48 N 5.19 0.58 0.08 1.96 0.04 -1.26 -4.80 135.00 136.79 1ni7 s PRO 48 Ca 1.00 0.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 1ni7 s PRO 48 Cb -0.67 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 1ni7 s PRO 48 CO 0.48 -2.54 1.56 -0.44 0.04 0.00 0.00 177.00 176.10 1ni7 h ASP 49 N -1.74 0.27 -0.84 6.66 5.19 -1.97 0.14 116.42 124.14 1ni7 h ASP 49 Ca -0.48 -0.24 0.21 0.00 -0.62 0.00 0.00 57.03 55.90 1ni7 h ASP 49 Cb 1.30 -0.07 -0.14 0.00 0.18 0.00 0.00 39.33 40.60 1ni7 h ASP 49 CO 0.52 0.44 0.08 1.05 -3.12 0.00 0.00 179.24 178.20 1ni7 h GLU 50 N 0.09 0.12 -0.07 3.56 9.09 -1.99 0.92 114.58 126.30 1ni7 h GLU 50 Ca 0.05 -0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.34 1ni7 h GLU 50 Cb 0.28 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1ni7 h GLU 50 CO 0.00 0.08 -0.41 -0.07 0.05 0.00 0.00 179.01 178.65 1ni7 h LEU 51 N 0.12 0.48 -1.76 3.06 -0.00 -1.88 -2.75 115.31 112.59 1ni7 h LEU 51 Ca 0.49 -0.67 0.19 0.00 -0.00 0.00 0.00 57.88 57.89 1ni7 h LEU 51 Cb 0.92 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 41.40 1ni7 h LEU 51 CO -0.71 1.07 0.53 0.11 -0.00 0.00 0.00 178.44 179.44 1ni7 h LYS 52 N -0.07 0.21 0.00 1.13 1.57 0.22 1.06 116.57 120.70 1ni7 h LYS 52 Ca -0.03 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1ni7 h LYS 52 Cb 1.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1ni7 h LYS 52 CO 0.09 0.14 -0.63 0.00 -0.57 0.00 0.00 179.45 178.47 1ni7 h ALA 53 N 1.64 0.79 0.00 3.86 0.00 0.83 -2.83 119.26 123.54 1ni7 h ALA 53 Ca 0.38 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ni7 h ALA 53 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ni7 h ALA 53 CO -0.08 0.79 -0.09 1.96 0.00 0.00 0.00 179.25 181.83 1ni7 h GLN 54 N 0.00 0.00 -6.40 0.00 7.50 0.13 -3.45 115.11 112.88 1ni7 h GLN 54 Ca -0.01 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.64 1ni7 h GLN 54 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.78 1ni7 h GLN 54 CO 0.08 0.00 -0.20 0.00 -1.50 0.00 0.00 178.83 177.22 1ni7 s ALA 55 N -3.16 4.56 0.15 3.87 0.00 0.60 -4.64 121.76 123.14 1ni7 s ALA 55 Ca 0.08 -1.85 0.05 0.00 0.00 0.00 0.00 51.96 50.25 1ni7 s ALA 55 Cb 0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1ni7 s ALA 55 CO 0.64 -0.62 0.07 0.15 0.00 0.00 0.00 175.76 176.00 1ni7 s LYS 56 N -4.48 2.72 -0.05 0.00 1.02 0.76 -4.86 119.74 114.85 1ni7 s LYS 56 Ca 0.53 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 55.37 1ni7 s LYS 56 Cb -0.05 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1ni7 s LYS 56 CO 0.33 0.49 0.77 -1.21 -0.92 0.00 0.00 175.35 174.81 1ni7 s GLU 57 N -2.86 4.46 0.10 1.68 2.02 -1.26 -1.39 118.70 121.45 1ni7 s GLU 57 Ca 0.29 1.01 0.06 0.00 0.02 0.00 0.00 54.97 56.35 1ni7 s GLU 57 Cb -0.10 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 1ni7 s GLU 57 CO 0.21 0.03 -0.16 0.42 0.02 0.00 0.00 175.26 175.78 1ni7 s ILE 58 N 0.89 1.36 -0.44 -1.63 1.01 0.14 -4.95 121.20 117.57 1ni7 s ILE 58 Ca 0.41 -1.54 0.06 0.00 0.00 0.00 0.00 60.65 59.57 1ni7 s ILE 58 Cb -0.18 -1.39 0.19 0.00 0.01 0.00 0.00 42.46 41.08 1ni7 s ILE 58 CO 0.20 -0.27 0.72 0.00 0.00 0.00 0.00 174.94 175.60 1ni7 s ALA 59 N -1.62 -2.56 -0.35 9.38 0.00 -1.26 -0.54 121.76 124.82 1ni7 s ALA 59 Ca 0.05 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1ni7 s ALA 59 Cb -0.08 -2.77 0.21 0.00 0.00 0.00 0.00 23.12 20.48 1ni7 s ALA 59 CO 0.03 -2.26 1.20 0.41 0.00 0.00 0.00 175.76 175.13 1ni7 n GLY 60 N 3.76 -0.34 1.63 0.00 0.00 -1.26 -4.99 105.19 103.98 1ni7 n GLY 60 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 n GLU 62 N -2.31 0.00 -4.06 0.00 4.07 -1.26 -4.79 120.64 112.29 1ni7 n GLU 62 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1ni7 n GLU 62 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 1ni7 n GLU 62 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1ni7 s ASN 63 N 0.00 0.30 0.34 4.31 0.01 -1.26 -5.04 114.94 113.61 1ni7 s ASN 63 Ca 0.00 -1.20 -0.20 0.00 -0.71 0.00 0.00 52.86 50.75 1ni7 s ASN 63 Cb 0.00 0.59 -0.14 0.00 0.41 0.00 0.00 41.25 42.10 1ni7 s ASN 63 CO 0.00 -1.16 0.11 0.54 -1.51 0.00 0.00 177.10 175.08 1ni7 n ARG 64 N -0.43 0.00 -3.93 -0.60 1.74 -1.26 -4.63 116.66 107.55 1ni7 n ARG 64 Ca -0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1ni7 n ARG 64 Cb 0.62 -0.89 -0.10 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.45 0.10 -0.02 1.55 1.01 0.30 -3.50 120.40 118.39 1ni7 s VAL 65 Ca 0.53 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1ni7 s VAL 65 Cb -0.59 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1ni7 s VAL 65 CO 0.56 -0.48 0.10 0.26 0.00 0.00 0.00 175.10 175.54 1ni7 s TRP 66 N -1.62 -0.03 -0.11 5.22 0.51 -0.67 0.25 118.94 122.49 1ni7 s TRP 66 Ca -0.14 0.08 -0.06 0.00 -2.12 0.00 0.00 56.10 53.86 1ni7 s TRP 66 Cb -0.08 -0.01 0.04 0.00 -0.81 0.00 0.00 33.47 32.61 1ni7 s TRP 66 CO -0.01 -0.14 0.26 -1.17 -0.51 0.00 0.00 176.95 175.38 1ni7 s LEU 67 N -0.54 0.55 -0.09 2.99 1.98 -0.49 -2.60 118.68 120.49 1ni7 s LEU 67 Ca -0.06 0.54 -0.07 0.00 -2.89 0.00 0.00 54.13 51.64 1ni7 s LEU 67 Cb -0.04 0.80 0.03 0.00 0.66 0.00 0.00 46.19 47.64 1ni7 s LEU 67 CO 0.00 -0.15 0.24 -0.83 -1.89 0.00 0.00 176.35 173.72 1ni7 s GLY 68 N 0.98 -0.17 0.10 7.98 0.00 0.52 0.27 107.32 117.00 1ni7 s GLY 68 Ca -0.07 0.74 -0.11 0.00 0.00 0.00 0.00 44.72 45.28 1ni7 s GLY 68 CO -0.06 0.74 0.27 -2.52 0.00 0.00 0.00 173.10 171.52 1ni7 s TYR 69 N 0.41 0.03 -0.08 1.90 -0.85 -1.26 0.93 117.35 118.44 1ni7 s TYR 69 Ca -0.02 -0.42 -0.08 0.00 -0.52 0.00 0.00 57.07 56.03 1ni7 s TYR 69 Cb -0.04 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.38 1ni7 s TYR 69 CO -0.02 -0.60 0.22 0.95 -1.52 0.00 0.00 175.55 174.58 1ni7 s THR 70 N -3.84 0.00 0.14 -3.49 -4.23 -1.20 -4.97 115.64 98.05 1ni7 s THR 70 Ca 0.04 -0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 1ni7 s THR 70 Cb 0.04 -0.32 -0.07 0.00 1.34 0.00 0.00 72.50 73.48 1ni7 s THR 70 CO -0.11 -0.01 0.66 -0.69 -0.54 0.00 0.00 174.62 173.93 1ni7 s VAL 71 N 0.08 4.60 0.39 2.29 1.01 -1.26 -2.75 120.40 124.76 1ni7 s VAL 71 Ca -0.00 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 1ni7 s VAL 71 Cb -0.02 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1ni7 s VAL 71 CO 0.00 0.43 0.53 0.00 0.00 0.00 0.00 175.10 176.06 1ni7 n ALA 72 N 1.33 0.01 -0.23 5.51 0.00 -1.10 -4.92 120.51 121.12 1ni7 n ALA 72 Ca -0.06 -1.00 -0.08 0.00 0.00 0.00 0.00 53.44 52.30 1ni7 n ALA 72 Cb 0.50 0.15 0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 1.11 0.00 0.00 4.39 -1.98 -2.86 114.58 115.24 1ni7 h GLU 73 Ca -0.18 -0.31 -0.21 0.00 0.34 0.00 0.00 59.36 59.01 1ni7 h GLU 73 Cb 0.63 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1ni7 h GLU 73 CO 0.18 1.02 -1.25 -2.95 -1.16 0.00 0.00 179.01 174.85 1ni7 h ASN 74 N 1.03 0.00 0.00 1.42 -1.07 -2.04 -3.47 115.58 111.45 1ni7 h ASN 74 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 1ni7 h ASN 74 Cb 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1ni7 h ASN 74 CO 0.02 0.81 0.00 0.61 0.07 0.00 0.00 177.43 178.94 1ni7 n GLY 75 N 1.41 1.55 3.50 9.14 0.00 -1.08 -5.06 105.19 114.65 1ni7 n GLY 75 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 0.26 -2.45 1.61 5.02 -1.26 -3.91 118.16 117.43 1ni7 n LYS 76 Ca 0.00 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1ni7 n LYS 76 Cb 0.00 -1.95 0.01 0.00 -0.02 0.00 0.00 35.03 33.06 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 8.61 3.41 -0.25 1.97 -1.94 -0.89 -2.70 119.30 127.52 1ni7 s MET 77 Ca 1.26 0.25 -0.03 0.00 -1.71 0.00 0.00 55.69 55.46 1ni7 s MET 77 Cb -1.02 -2.30 0.10 0.00 2.01 0.00 0.00 34.83 33.62 1ni7 s MET 77 CO 0.45 -0.38 0.18 -1.01 -0.01 0.00 0.00 175.02 174.25 1ni7 s HIS 78 N -2.88 -0.03 0.39 -0.03 3.76 -1.11 -3.35 115.29 112.05 1ni7 s HIS 78 Ca 0.50 -0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 54.94 1ni7 s HIS 78 Cb -0.10 -0.63 -0.08 0.00 1.11 0.00 0.00 32.58 32.88 1ni7 s HIS 78 CO 0.47 -0.74 0.79 -0.06 -0.85 0.00 0.00 174.74 174.35 1ni7 s PHE 79 N 2.22 3.43 0.17 1.40 0.40 -1.26 -3.26 117.98 121.08 1ni7 s PHE 79 Ca 0.07 1.17 -0.24 0.00 -0.60 0.00 0.00 56.93 57.33 1ni7 s PHE 79 Cb -0.15 -2.53 0.06 0.00 0.51 0.00 0.00 43.02 40.91 1ni7 s PHE 79 CO -0.25 -0.07 0.93 -0.59 0.70 0.00 0.00 175.22 175.94 1ni7 s PHE 80 N -2.26 -0.13 -3.42 0.36 -0.12 0.27 -4.84 117.98 107.83 1ni7 s PHE 80 Ca 0.53 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.21 1ni7 s PHE 80 Cb -0.10 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1ni7 s PHE 80 CO 0.26 -0.89 0.00 0.41 -0.05 0.00 0.00 175.22 174.95 1ni7 n GLY 81 N -0.48 -0.58 3.61 1.99 0.00 -1.26 0.20 105.19 108.67 1ni7 n GLY 81 Ca -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1ni7 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ni7 s ASP 82 N -4.00 -0.15 0.10 1.61 -4.77 -1.07 -4.96 116.67 103.43 1ni7 s ASP 82 Ca 0.00 -0.10 -0.18 0.00 -3.30 0.00 0.00 52.55 48.96 1ni7 s ASP 82 Cb 0.00 0.23 0.04 0.00 -1.09 0.00 0.00 42.92 42.11 1ni7 s ASP 82 CO 0.00 -0.41 0.45 -0.55 0.70 0.00 0.00 175.17 175.36 1ni7 s SER 83 N -2.60 -0.32 -0.04 2.11 0.15 -1.26 -1.68 113.70 110.06 1ni7 s SER 83 Ca 0.11 -0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.39 1ni7 s SER 83 Cb 0.01 0.49 -0.24 0.00 -1.71 0.00 0.00 66.02 64.56 1ni7 s SER 83 CO -0.04 -0.82 1.03 -0.33 1.20 0.00 0.00 173.24 174.28 1ni7 h GLU 84 N 2.49 0.25 -6.26 5.44 4.39 -1.86 -3.41 114.58 115.61 1ni7 h GLU 84 Ca -0.33 -0.28 -0.65 0.00 0.34 0.00 0.00 59.36 58.44 1ni7 h GLU 84 Cb 1.25 0.08 0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1ni7 h GLU 84 CO 0.44 1.01 0.96 0.41 -1.16 0.00 0.00 179.01 180.67 1ni7 n GLY 85 N 1.13 1.18 0.44 -3.84 0.00 -1.26 -4.81 105.19 98.03 1ni7 n GLY 85 Ca -0.10 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 7.94 -0.38 0.58 1.61 -0.00 -1.93 1.53 114.38 123.73 1ni7 h ARG 86 Ca -0.47 0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.00 1ni7 h ARG 86 Cb 1.29 0.09 0.01 0.00 0.00 0.00 0.00 29.97 31.35 1ni7 h ARG 86 CO 0.93 -0.25 -0.28 0.82 0.00 0.00 0.00 179.97 181.19 1ni7 h ILE 87 N -0.39 0.42 -1.13 2.04 1.08 -1.87 0.00 117.51 117.65 1ni7 h ILE 87 Ca 0.09 -0.07 0.32 0.00 -0.39 0.00 0.00 64.86 64.81 1ni7 h ILE 87 Cb 0.60 0.45 -0.09 0.00 -3.07 0.00 0.00 36.82 34.71 1ni7 h ILE 87 CO -0.58 0.01 0.75 0.58 -0.69 0.00 0.00 178.15 178.22 1ni7 h VAL 88 N -0.82 0.41 -0.20 1.67 2.07 -1.76 0.92 116.25 118.55 1ni7 h VAL 88 Ca -0.08 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1ni7 h VAL 88 Cb 0.61 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ni7 h VAL 88 CO 0.13 0.05 -0.28 -0.09 0.02 0.00 0.00 177.57 177.40 1ni7 h ARG 89 N 0.25 0.53 -0.42 1.57 2.43 0.30 -3.03 114.38 116.01 1ni7 h ARG 89 Ca 0.64 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1ni7 h ARG 89 Cb 1.89 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 1ni7 h ARG 89 CO -0.27 0.91 -0.09 0.78 -1.51 0.00 0.00 179.97 179.79 1ni7 h GLY 90 N 0.20 0.87 0.02 2.80 0.00 0.22 -2.84 103.07 104.35 1ni7 h GLY 90 Ca 0.02 -0.71 0.21 0.00 0.00 0.00 0.00 47.33 46.85 1ni7 h GLY 90 CO 0.06 0.65 0.61 1.41 0.00 0.00 0.00 176.54 179.27 1ni7 h LEU 91 N 0.63 0.74 -0.67 3.11 3.38 0.50 0.16 115.31 123.17 1ni7 h LEU 91 Ca 0.11 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.32 1ni7 h LEU 91 Cb 0.62 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.23 1ni7 h LEU 91 CO 0.04 0.21 -0.15 -0.07 0.09 0.00 0.00 178.44 178.56 1ni7 h LEU 92 N 0.69 -0.58 -0.03 1.67 3.38 -1.37 0.37 115.31 119.44 1ni7 h LEU 92 Ca 0.60 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.78 1ni7 h LEU 92 Cb 1.03 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1ni7 h LEU 92 CO -0.42 -0.21 -0.12 0.00 0.09 0.00 0.00 178.44 177.79 1ni7 h ALA 93 N 1.66 -0.53 -1.06 1.53 0.00 -0.77 1.82 119.26 121.91 1ni7 h ALA 93 Ca 0.32 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.51 1ni7 h ALA 93 Cb 0.50 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1ni7 h ALA 93 CO -0.67 -0.57 0.67 0.28 0.00 0.00 0.00 179.25 178.96 1ni7 h VAL 94 N -0.12 0.47 0.42 0.00 2.07 -1.30 1.22 116.25 119.00 1ni7 h VAL 94 Ca 0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1ni7 h VAL 94 Cb 0.14 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1ni7 h VAL 94 CO -0.09 0.07 -0.20 0.25 0.02 0.00 0.00 177.57 177.62 1ni7 h LEU 95 N 0.39 -0.48 -2.26 2.57 6.46 0.22 0.11 115.31 122.33 1ni7 h LEU 95 Ca 0.64 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.30 1ni7 h LEU 95 Cb 1.58 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.63 1ni7 h LEU 95 CO -0.37 -0.16 -0.04 -0.07 -0.62 0.00 0.00 178.44 177.19 1ni7 h LEU 96 N -0.82 0.00 -0.41 2.25 4.07 0.55 0.21 115.31 121.17 1ni7 h LEU 96 Ca -0.06 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.73 1ni7 h LEU 96 Cb 0.55 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 1ni7 h LEU 96 CO 0.09 0.04 -0.80 0.74 -1.08 0.00 0.00 178.44 177.44 1ni7 h THR 97 N 0.00 1.53 0.00 0.22 2.02 0.37 -2.71 112.91 114.34 1ni7 h THR 97 Ca -0.00 -2.60 -0.12 0.00 0.77 0.00 0.00 66.41 64.46 1ni7 h THR 97 Cb 0.09 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1ni7 h THR 97 CO 0.00 0.75 -0.59 0.00 0.37 0.00 0.00 175.52 176.05 1ni7 h ALA 98 N 1.14 1.01 -0.84 6.16 0.00 0.13 -2.76 119.26 124.09 1ni7 h ALA 98 Ca -0.02 -0.54 -0.47 0.00 0.00 0.00 0.00 54.91 53.88 1ni7 h ALA 98 Cb 1.40 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.83 1ni7 h ALA 98 CO 0.11 0.74 0.47 1.33 0.00 0.00 0.00 179.25 181.90 1ni7 n VAL 99 N -3.81 3.11 -1.52 0.00 0.24 -0.84 -4.92 118.33 110.58 1ni7 n VAL 99 Ca -0.01 -2.39 -0.14 0.00 -2.04 0.00 0.00 64.34 59.76 1ni7 n VAL 99 Cb 0.60 -0.58 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 1ni7 n VAL 99 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1ni7 n GLU 100 N -1.09 0.33 -3.25 7.34 0.28 -1.03 -3.51 120.64 119.71 1ni7 n GLU 100 Ca 0.54 -0.86 -0.26 0.00 -0.16 0.00 0.00 57.16 56.41 1ni7 n GLU 100 Cb 1.33 -3.18 0.03 0.00 1.43 0.00 0.00 31.44 31.04 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ni7 n GLY 101 N 6.32 -0.46 3.16 -1.84 0.00 -1.25 -5.02 105.19 106.09 1ni7 n GLY 101 Ca 0.46 1.11 -0.09 0.00 0.00 0.00 0.00 46.02 47.51 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 -2.39 0.72 0.40 1.61 1.02 -1.21 -4.87 119.74 115.02 1ni7 s LYS 102 Ca 0.31 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1ni7 s LYS 102 Cb -0.05 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.46 1ni7 s LYS 102 CO 0.79 -0.20 1.04 0.95 -0.92 0.00 0.00 175.35 177.01 1ni7 s THR 103 N -3.44 3.77 0.35 2.17 -4.23 -1.26 -2.09 115.64 110.91 1ni7 s THR 103 Ca 0.02 1.34 0.09 0.00 -1.18 0.00 0.00 61.69 61.96 1ni7 s THR 103 Cb 0.03 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.52 1ni7 s THR 103 CO -0.09 -0.01 1.83 0.00 -0.54 0.00 0.00 174.62 175.81 1ni7 h ALA 104 N 2.45 1.84 0.07 3.99 0.00 -1.94 0.62 119.26 126.31 1ni7 h ALA 104 Ca -0.48 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ni7 h ALA 104 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ni7 h ALA 104 CO 0.62 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.70 1ni7 h ALA 105 N 1.61 -1.02 -1.37 0.00 0.00 -1.91 -1.55 119.26 115.01 1ni7 h ALA 105 Ca 0.50 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 55.79 1ni7 h ALA 105 Cb 0.87 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1ni7 h ALA 105 CO -0.26 -1.01 0.98 0.93 0.00 0.00 0.00 179.25 179.89 1ni7 h GLU 106 N -0.10 0.02 -0.69 0.00 4.39 -1.84 1.49 114.58 117.84 1ni7 h GLU 106 Ca -0.01 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1ni7 h GLU 106 Cb 0.08 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1ni7 h GLU 106 CO 0.02 0.01 0.20 -0.07 -1.16 0.00 0.00 179.01 178.01 1ni7 h LEU 107 N 0.02 1.02 -0.97 1.33 3.38 -0.41 1.16 115.31 120.83 1ni7 h LEU 107 Ca 0.66 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 1ni7 h LEU 107 Cb 2.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 43.07 1ni7 h LEU 107 CO -0.03 0.97 -0.40 1.56 0.09 0.00 0.00 178.44 180.62 1ni7 h GLN 108 N 1.02 0.00 0.00 1.13 4.20 0.30 -2.83 115.11 118.93 1ni7 h GLN 108 Ca 0.22 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.70 1ni7 h GLN 108 Cb 0.32 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1ni7 h GLN 108 CO -0.00 0.40 -1.30 0.00 -0.67 0.00 0.00 178.83 177.26 1ni7 h ALA 109 N 1.60 0.58 -2.91 3.87 0.00 -0.52 -3.44 119.26 118.44 1ni7 h ALA 109 Ca -0.00 -1.10 -0.65 0.00 0.00 0.00 0.00 54.91 53.16 1ni7 h ALA 109 Cb 0.89 0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 1ni7 h ALA 109 CO 0.05 1.31 -0.56 1.14 0.00 0.00 0.00 179.25 181.19 1ni7 s GLN 110 N -2.70 3.78 -0.32 0.00 -2.07 0.39 -5.05 119.66 113.68 1ni7 s GLN 110 Ca -0.01 -0.42 -0.29 0.00 -1.82 0.00 0.00 55.36 52.82 1ni7 s GLN 110 Cb 0.09 -3.53 0.00 0.00 -1.09 0.00 0.00 33.01 28.49 1ni7 s GLN 110 CO 0.82 -0.21 1.32 -1.54 -1.32 0.00 0.00 175.29 174.36 1ni7 s SER 111 N 1.69 6.60 0.14 12.60 1.04 -1.26 -4.65 113.70 129.86 1ni7 s SER 111 Ca 0.07 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 1ni7 s SER 111 Cb -0.16 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.37 1ni7 s SER 111 CO 0.08 -1.16 1.34 1.55 0.98 0.00 0.00 173.24 176.03 1ni7 h PRO 112 N 9.59 0.44 -0.21 4.02 0.13 -1.91 -3.07 132.00 140.98 1ni7 h PRO 112 Ca -0.26 -0.43 0.02 0.00 -0.87 0.00 0.00 66.00 64.46 1ni7 h PRO 112 Cb 1.10 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ni7 h PRO 112 CO 1.05 1.08 0.15 -0.07 -0.23 0.00 0.00 178.00 179.97 1ni7 h LEU 113 N 0.27 0.17 -0.81 1.56 3.38 -1.96 -1.13 115.31 116.79 1ni7 h LEU 113 Ca -0.06 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1ni7 h LEU 113 Cb 1.49 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 42.09 1ni7 h LEU 113 CO 0.15 0.12 0.35 0.00 0.09 0.00 0.00 178.44 179.15 1ni7 h ALA 114 N 1.88 1.20 0.01 1.53 0.00 -1.94 -0.98 119.26 120.96 1ni7 h ALA 114 Ca 0.09 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ni7 h ALA 114 Cb 0.11 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1ni7 h ALA 114 CO -0.02 -0.22 -0.53 1.25 0.00 0.00 0.00 179.25 179.73 1ni7 h LEU 115 N 0.46 -1.62 -0.62 0.00 6.46 -1.35 1.26 115.31 119.90 1ni7 h LEU 115 Ca 0.46 0.18 0.12 0.00 -0.12 0.00 0.00 57.88 58.52 1ni7 h LEU 115 Cb 0.75 0.62 -0.12 0.00 -0.73 0.00 0.00 40.66 41.18 1ni7 h LEU 115 CO -0.43 -0.52 -0.26 -0.26 -0.62 0.00 0.00 178.44 176.34 1ni7 h PHE 116 N -0.68 -0.68 -0.53 1.25 -1.00 -1.29 0.86 116.94 114.88 1ni7 h PHE 116 Ca 0.01 0.07 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1ni7 h PHE 116 Cb 0.72 0.39 -0.03 0.00 3.61 0.00 0.00 35.95 40.65 1ni7 h PHE 116 CO -0.50 -0.34 0.17 0.22 -1.61 0.00 0.00 178.31 176.24 1ni7 h ASP 117 N -0.10 0.72 -0.12 2.17 1.82 -0.66 1.52 116.42 121.77 1ni7 h ASP 117 Ca 0.27 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 1ni7 h ASP 117 Cb 0.53 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1ni7 h ASP 117 CO -0.68 0.68 0.05 -0.33 -1.61 0.00 0.00 179.24 177.35 1ni7 h GLU 118 N 0.77 0.18 0.00 0.28 4.39 0.66 -1.74 114.58 119.12 1ni7 h GLU 118 Ca 0.18 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ni7 h GLU 118 Cb 0.22 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ni7 h GLU 118 CO -0.01 0.28 0.00 -0.07 -1.16 0.00 0.00 179.01 178.05 1ni7 h LEU 119 N 0.05 0.00 -0.28 1.33 3.38 0.83 -3.46 115.31 117.15 1ni7 h LEU 119 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ni7 h LEU 119 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ni7 h LEU 119 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1ni7 n GLY 120 N 0.06 1.05 0.13 0.83 0.00 0.31 -5.00 105.19 102.56 1ni7 n GLY 120 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 0.48 -2.66 0.99 3.38 0.18 -3.30 115.31 114.38 1ni7 h LEU 121 Ca 0.00 -0.89 -0.17 0.00 0.09 0.00 0.00 57.88 56.90 1ni7 h LEU 121 Cb 0.53 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 1ni7 h LEU 121 CO 0.00 1.62 0.22 -1.14 0.09 0.00 0.00 178.44 179.22 1ni7 n ARG 122 N -3.89 1.44 -0.13 1.13 0.63 -1.23 -4.49 116.66 110.12 1ni7 n ARG 122 Ca -0.22 -1.02 -0.07 0.00 -0.92 0.00 0.00 57.85 55.62 1ni7 n ARG 122 Cb 0.93 -1.41 -0.05 0.00 0.45 0.00 0.00 32.46 32.39 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ni7 h ALA 123 N 1.68 -0.44 0.00 5.13 0.00 -1.88 -3.36 119.26 120.38 1ni7 h ALA 123 Ca 0.21 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1ni7 h ALA 123 Cb 1.63 1.03 -0.20 0.00 0.00 0.00 0.00 17.79 20.25 1ni7 h ALA 123 CO 0.37 -0.61 -0.57 0.94 0.00 0.00 0.00 179.25 179.38 1ni7 n GLN 124 N -4.12 0.00 -1.45 0.00 7.27 -1.26 -5.12 117.38 112.70 1ni7 n GLN 124 Ca -0.01 -1.27 -0.44 0.00 0.07 0.00 0.00 57.00 55.35 1ni7 n GLN 124 Cb 0.16 0.14 -0.01 0.00 2.41 0.00 0.00 30.24 32.93 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1ni7 n LEU 125 N 0.19 -0.35 -4.13 1.69 -0.00 -1.26 -4.69 117.00 108.45 1ni7 n LEU 125 Ca -0.09 1.03 -0.48 0.00 -0.00 0.00 0.00 56.01 56.47 1ni7 n LEU 125 Cb 0.85 -1.07 -0.04 0.00 -0.00 0.00 0.00 43.42 43.15 1ni7 n LEU 125 CO -0.07 -2.74 0.17 -1.20 -0.00 0.00 0.00 177.39 173.55 1ni7 n SER 126 N 1.62 -0.77 0.24 1.45 7.64 -1.26 -4.76 113.62 117.79 1ni7 n SER 126 Ca 0.13 1.06 0.09 0.00 1.01 0.00 0.00 58.87 61.16 1ni7 n SER 126 Cb 0.33 -0.88 0.62 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.56 1.54 0.13 -0.43 0.00 -2.00 -1.27 119.26 118.79 1ni7 h ALA 127 Ca -0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1ni7 h ALA 127 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ni7 h ALA 127 CO 0.56 0.18 -0.06 1.03 0.00 0.00 0.00 179.25 180.95 1ni7 h SER 128 N 0.00 -0.15 -0.85 0.00 0.87 -2.00 -3.27 113.55 108.16 1ni7 h SER 128 Ca -0.00 -0.09 0.25 0.00 -1.23 0.00 0.00 61.79 60.72 1ni7 h SER 128 Cb 0.30 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1ni7 h SER 128 CO 0.02 0.36 0.68 0.03 -0.53 0.00 0.00 176.83 177.39 1ni7 h ARG 129 N -1.03 0.00 -0.88 2.24 3.08 -1.88 0.47 114.38 116.37 1ni7 h ARG 129 Ca -0.02 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.27 1ni7 h ARG 129 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1ni7 h ARG 129 CO 0.03 0.00 0.62 1.03 -1.07 0.00 0.00 179.97 180.58 1ni7 h SER 130 N 0.00 0.12 0.04 7.04 0.87 -1.28 1.06 113.55 121.41 1ni7 h SER 130 Ca 0.40 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1ni7 h SER 130 Cb 1.76 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1ni7 h SER 130 CO -0.00 0.04 0.00 0.06 -0.53 0.00 0.00 176.83 176.40 1ni7 h GLN 131 N 0.12 0.00 0.07 2.24 -0.00 -0.21 -2.41 115.11 114.90 1ni7 h GLN 131 Ca 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.08 1ni7 h GLN 131 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.01 1ni7 h GLN 131 CO -0.06 0.00 -0.03 0.78 -0.00 0.00 0.00 178.83 179.52 1ni7 h GLY 132 N 0.10 -0.09 -0.04 0.06 0.00 0.10 -2.12 103.07 101.07 1ni7 h GLY 132 Ca 0.00 0.03 0.23 0.00 0.00 0.00 0.00 47.33 47.60 1ni7 h GLY 132 CO 0.00 -0.03 0.62 -2.00 0.00 0.00 0.00 176.54 175.13 1ni7 h LEU 133 N -1.00 0.63 -0.73 3.11 6.46 -1.49 1.15 115.31 123.44 1ni7 h LEU 133 Ca -0.01 0.11 -0.14 0.00 -0.12 0.00 0.00 57.88 57.72 1ni7 h LEU 133 Cb 0.33 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1ni7 h LEU 133 CO 0.01 0.15 -0.56 0.78 -0.62 0.00 0.00 178.44 178.21 1ni7 h ASN 134 N 0.58 0.26 -0.07 1.25 4.21 -1.53 -1.27 115.58 118.99 1ni7 h ASN 134 Ca 0.60 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.97 1ni7 h ASN 134 Cb 1.20 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 38.33 1ni7 h ASN 134 CO -0.39 0.76 0.02 0.00 -1.29 0.00 0.00 177.43 176.54 1ni7 h ALA 135 N 1.24 0.10 -0.47 -0.83 0.00 0.19 0.21 119.26 119.70 1ni7 h ALA 135 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1ni7 h ALA 135 Cb 1.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ni7 h ALA 135 CO 0.09 -0.29 0.09 -0.07 0.00 0.00 0.00 179.25 179.06 1ni7 h LEU 136 N -0.07 0.68 0.97 0.00 3.38 -0.74 -2.15 115.31 117.38 1ni7 h LEU 136 Ca 0.02 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1ni7 h LEU 136 Cb 0.21 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ni7 h LEU 136 CO -0.00 0.69 -0.47 -1.28 0.09 0.00 0.00 178.44 177.47 1ni7 h SER 137 N 0.70 -1.10 -0.78 -0.43 0.87 -0.85 -2.23 113.55 109.71 1ni7 h SER 137 Ca 0.15 0.04 0.23 0.00 -1.23 0.00 0.00 61.79 60.98 1ni7 h SER 137 Cb 0.30 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1ni7 h SER 137 CO 0.00 -0.77 0.60 1.05 -0.53 0.00 0.00 176.83 177.18 1ni7 h GLU 138 N -1.34 0.00 -0.59 2.24 4.11 -0.85 0.32 114.58 118.48 1ni7 h GLU 138 Ca -0.13 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.35 1ni7 h GLU 138 Cb 1.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1ni7 h GLU 138 CO 0.22 0.00 0.31 0.00 0.07 0.00 0.00 179.01 179.61 1ni7 h ALA 139 N 1.53 0.77 -0.14 1.06 0.00 -0.76 0.89 119.26 122.60 1ni7 h ALA 139 Ca 0.37 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 1ni7 h ALA 139 Cb 1.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ni7 h ALA 139 CO -0.00 -0.03 -0.65 0.82 0.00 0.00 0.00 179.25 179.39 1ni7 h ILE 140 N 0.58 1.34 0.55 0.00 2.04 -0.27 -2.56 117.51 119.18 1ni7 h ILE 140 Ca 0.26 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1ni7 h ILE 140 Cb 0.17 1.92 0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1ni7 h ILE 140 CO -0.18 0.60 -0.26 0.40 0.00 0.00 0.00 178.15 178.71 1ni7 h ILE 141 N 0.39 0.43 -0.49 -0.67 1.08 -0.38 0.28 117.51 118.15 1ni7 h ILE 141 Ca -0.01 -0.17 0.14 0.00 -0.39 0.00 0.00 64.86 64.43 1ni7 h ILE 141 Cb 1.21 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1ni7 h ILE 141 CO 0.12 0.03 0.42 0.00 -0.69 0.00 0.00 178.15 178.03 1ni7 h ALA 142 N -0.45 2.32 -0.00 1.87 0.00 0.73 1.13 119.26 124.86 1ni7 h ALA 142 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ni7 h ALA 142 Cb 0.61 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ni7 h ALA 142 CO 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 179.25 178.65 1ni7 h ALA 143 N 1.62 0.01 -0.13 0.00 0.00 -0.92 -2.97 119.26 116.86 1ni7 h ALA 143 Ca 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ni7 h ALA 143 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ni7 h ALA 143 CO -0.00 -0.08 0.02 1.79 0.00 0.00 0.00 179.25 180.97 1ni7 h THR 144 N -0.70 1.23 -0.66 0.00 1.35 0.18 -2.16 112.91 112.15 1ni7 h THR 144 Ca -0.01 -0.73 0.19 0.00 -0.55 0.00 0.00 66.41 65.32 1ni7 h THR 144 Cb 0.80 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1ni7 h THR 144 CO 0.01 0.21 0.58 0.07 -0.25 0.00 0.00 175.52 176.14 1ni7 h LYS 145 N -0.01 0.00 -0.00 4.72 2.10 0.11 1.31 116.57 124.80 1ni7 h LYS 145 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1ni7 h LYS 145 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1ni7 h LYS 145 CO 0.00 0.00 -0.01 1.96 -2.00 0.00 0.00 179.45 179.40 1ni7 h GLN 146 N 0.00 0.01 -0.23 0.07 4.20 -1.23 -1.65 115.11 116.27 1ni7 h GLN 146 Ca 0.31 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 1ni7 h GLN 146 Cb 1.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 1ni7 h GLN 146 CO -0.00 0.77 -0.28 0.28 -0.67 0.00 0.00 178.83 178.93 1ni7 h VAL 147 N -0.75 1.27 0.33 -0.54 2.07 -0.24 -3.04 116.25 115.35 1ni7 h VAL 147 Ca -0.00 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1ni7 h VAL 147 Cb 0.78 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1ni7 h VAL 147 CO 0.00 0.41 -0.16 -0.07 0.02 0.00 0.00 177.57 177.78 1ni7 h LEU 148 N 0.40 -0.38 0.00 2.57 3.38 0.15 -3.51 115.31 117.92 1ni7 h LEU 148 Ca 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ni7 h LEU 148 Cb 0.70 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ni7 h LEU 148 CO 0.05 -0.14 0.00 -0.62 0.09 0.00 0.00 178.44 177.82