#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 0.08 -0.31 1.12 2.01 -1.26 -5.12 115.64 112.16 1ni7 s THR 2 Ca 0.00 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 1ni7 s THR 2 Cb 0.00 -0.46 0.19 0.00 0.01 0.00 0.00 72.50 72.24 1ni7 s THR 2 CO 0.00 -0.36 1.03 0.20 -0.69 0.00 0.00 174.62 174.80 1ni7 s ASN 3 N -1.37 -0.43 0.99 3.53 0.01 -1.26 -5.17 114.94 111.24 1ni7 s ASN 3 Ca -0.15 -0.07 -0.15 0.00 -0.71 0.00 0.00 52.86 51.79 1ni7 s ASN 3 Cb -0.07 0.93 0.19 0.00 0.41 0.00 0.00 41.25 42.71 1ni7 s ASN 3 CO 0.02 -0.06 1.18 -2.16 -1.51 0.00 0.00 177.10 174.56 1ni7 s PRO 4 N 2.49 0.47 0.00 -0.60 0.04 -1.26 -5.09 135.00 131.05 1ni7 s PRO 4 Ca 0.22 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1ni7 s PRO 4 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1ni7 s PRO 4 CO -0.19 -2.60 0.00 0.94 0.04 0.00 0.00 177.00 175.19 1ni7 n GLN 5 N -4.00 0.00 -3.67 4.56 7.27 -1.26 -5.19 117.38 115.09 1ni7 n GLN 5 Ca 0.10 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.21 1ni7 n GLN 5 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1ni7 n GLN 5 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1ni7 s PHE 6 N -3.31 -0.00 -0.03 3.69 -0.71 -1.26 -5.06 117.98 111.30 1ni7 s PHE 6 Ca 0.00 -0.01 -0.17 0.00 -1.04 0.00 0.00 56.93 55.71 1ni7 s PHE 6 Cb 0.00 0.51 -0.10 0.00 -1.21 0.00 0.00 43.02 42.22 1ni7 s PHE 6 CO 0.00 -0.04 0.70 0.00 -1.34 0.00 0.00 175.22 174.54 1ni7 h ALA 7 N 2.00 -0.53 -2.50 1.99 0.00 -2.04 -3.50 119.26 114.68 1ni7 h ALA 7 Ca -0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ni7 h ALA 7 Cb 1.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ni7 h ALA 7 CO 0.30 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1ni7 n GLY 8 N 0.34 -2.40 3.64 0.00 0.00 -1.26 -4.97 105.19 100.55 1ni7 n GLY 8 Ca -0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 1ni7 n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ni7 s HIS 9 N 0.00 -0.77 0.00 1.61 -3.43 -1.26 -4.68 115.29 106.77 1ni7 s HIS 9 Ca 0.00 1.56 0.00 0.00 -0.80 0.00 0.00 55.06 55.82 1ni7 s HIS 9 Cb 0.00 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.61 1ni7 s HIS 9 CO 0.00 -0.38 0.13 -0.35 -2.00 0.00 0.00 174.74 172.14 1ni7 n PRO 10 N 3.83 0.00 -2.04 -0.38 -0.04 -1.26 -4.87 135.00 130.24 1ni7 n PRO 10 Ca -0.19 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ni7 n PRO 10 Cb 0.58 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.60 0.00 0.00 0.54 3.72 -1.26 -1.93 117.46 117.93 1ni7 n PHE 11 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ni7 n PHE 11 Cb 0.00 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 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 1.12 2.80 0.29 1.37 0.00 0.26 -4.35 105.19 106.68 1ni7 n GLY 12 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1ni7 n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ni7 h THR 13 N 0.00 0.40 0.00 2.61 2.02 -1.72 -3.39 112.91 112.82 1ni7 h THR 13 Ca 0.00 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 1ni7 h THR 13 Cb 0.00 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1ni7 h THR 13 CO 0.00 0.06 -1.35 0.41 0.37 0.00 0.00 175.52 175.01 1ni7 n THR 14 N -5.27 0.32 -3.70 3.16 -1.04 -1.26 -4.86 114.28 101.63 1ni7 n THR 14 Ca -0.11 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.05 61.32 1ni7 n THR 14 Cb 0.31 -0.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.99 1ni7 n THR 14 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ni7 s VAL 15 N -2.15 3.79 0.43 12.58 -7.23 -1.26 -4.92 120.40 121.63 1ni7 s VAL 15 Ca -0.03 -2.92 0.02 0.00 -1.81 0.00 0.00 61.98 57.24 1ni7 s VAL 15 Cb 0.02 -3.47 -0.00 0.00 0.56 0.00 0.00 36.38 33.49 1ni7 s VAL 15 CO 0.22 -0.88 0.64 -0.89 -0.31 0.00 0.00 175.10 173.88 1ni7 s THR 16 N -0.03 3.94 0.40 5.32 2.01 -1.26 0.91 115.64 126.92 1ni7 s THR 16 Ca 0.17 -0.60 0.18 0.00 0.31 0.00 0.00 61.69 61.75 1ni7 s THR 16 Cb -0.20 -3.44 0.39 0.00 0.01 0.00 0.00 72.50 69.26 1ni7 s THR 16 CO -0.04 -0.28 1.77 0.00 -0.69 0.00 0.00 174.62 175.38 1ni7 h ALA 17 N 0.47 2.22 0.40 7.40 0.00 -1.93 0.46 119.26 128.28 1ni7 h ALA 17 Ca -0.46 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ni7 h ALA 17 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ni7 h ALA 17 CO 0.56 -0.62 -0.19 1.49 0.00 0.00 0.00 179.25 180.48 1ni7 h GLU 18 N 0.40 -0.52 -1.11 0.00 4.81 -1.96 -2.36 114.58 113.84 1ni7 h GLU 18 Ca 0.59 0.04 0.39 0.00 -0.13 0.00 0.00 59.36 60.24 1ni7 h GLU 18 Cb 1.49 0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.84 1ni7 h GLU 18 CO -0.29 -0.35 0.66 1.15 -0.73 0.00 0.00 179.01 179.45 1ni7 h THR 19 N -1.03 0.16 0.12 0.32 2.02 -1.65 1.63 112.91 114.49 1ni7 h THR 19 Ca -0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1ni7 h THR 19 Cb 0.41 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1ni7 h THR 19 CO 0.09 0.03 -0.06 -0.07 0.37 0.00 0.00 175.52 175.88 1ni7 h LEU 20 N 0.16 -0.14 -1.69 2.58 3.38 -0.95 -1.62 115.31 117.02 1ni7 h LEU 20 Ca 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.53 1ni7 h LEU 20 Cb 2.14 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.92 1ni7 h LEU 20 CO -0.57 0.15 -0.04 0.08 0.09 0.00 0.00 178.44 178.15 1ni7 h ARG 21 N -0.44 0.00 -0.09 1.13 -0.00 0.10 -1.97 114.38 113.11 1ni7 h ARG 21 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.80 1ni7 h ARG 21 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 1ni7 h ARG 21 CO 0.03 0.04 -0.64 -0.91 -0.00 0.00 0.00 179.97 178.49 1ni7 h ASN 22 N 0.00 0.41 0.54 0.08 2.35 0.24 0.97 115.58 120.16 1ni7 h ASN 22 Ca -0.00 -0.24 -0.23 0.00 -0.55 0.00 0.00 56.30 55.27 1ni7 h ASN 22 Cb 0.45 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1ni7 h ASN 22 CO 0.01 0.94 -1.01 0.74 -1.65 0.00 0.00 177.43 176.45 1ni7 h THR 23 N 0.26 1.48 0.00 2.81 2.02 -0.60 -3.24 112.91 115.64 1ni7 h THR 23 Ca -0.01 -2.74 -0.09 0.00 0.77 0.00 0.00 66.41 64.33 1ni7 h THR 23 Cb 1.18 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 70.19 1ni7 h THR 23 CO 0.11 0.80 -0.89 -0.26 0.37 0.00 0.00 175.52 175.65 1ni7 h PHE 24 N 0.13 0.00 -0.87 3.16 0.04 -1.30 -3.28 116.94 114.82 1ni7 h PHE 24 Ca -0.08 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.83 1ni7 h PHE 24 Cb 1.68 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.68 1ni7 h PHE 24 CO 0.05 0.37 -0.35 0.00 -0.60 0.00 0.00 178.31 177.77 1ni7 h ALA 25 N 1.63 0.15 -0.02 2.45 0.00 0.96 -0.78 119.26 123.66 1ni7 h ALA 25 Ca -0.06 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1ni7 h ALA 25 Cb 1.33 0.91 0.01 0.00 0.00 0.00 0.00 17.79 20.04 1ni7 h ALA 25 CO 0.04 -0.61 -0.39 -1.00 0.00 0.00 0.00 179.25 177.28 1ni7 h PRO 26 N -0.05 0.30 -5.24 0.00 0.13 -1.73 -3.41 132.00 122.01 1ni7 h PRO 26 Ca 0.32 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 1ni7 h PRO 26 Cb 0.59 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1ni7 h PRO 26 CO -0.90 0.98 0.24 1.28 -0.23 0.00 0.00 178.00 179.38 1ni7 n LEU 27 N -4.38 1.26 0.17 1.56 4.77 -0.30 -4.65 117.00 115.43 1ni7 n LEU 27 Ca -0.10 -1.59 0.05 0.00 -0.03 0.00 0.00 56.01 54.34 1ni7 n LEU 27 Cb 0.56 -1.53 0.20 0.00 -2.33 0.00 0.00 43.42 40.32 1ni7 n LEU 27 CO 0.43 -2.70 0.60 0.00 -1.33 0.00 0.00 177.39 174.38 1ni7 h THR 28 N 7.41 0.82 -2.99 -5.08 1.03 -1.80 -3.42 112.91 108.88 1ni7 h THR 28 Ca 0.00 -1.81 -0.55 0.00 -0.01 0.00 0.00 66.41 64.04 1ni7 h THR 28 Cb 1.01 2.15 -0.07 0.00 -1.07 0.00 0.00 68.15 70.18 1ni7 h THR 28 CO 1.07 0.41 1.03 -1.10 -0.01 0.00 0.00 175.52 176.91 1ni7 s GLN 29 N -3.29 3.41 0.32 0.00 1.11 -1.26 -4.86 119.66 115.10 1ni7 s GLN 29 Ca 0.02 0.27 0.09 0.00 0.01 0.00 0.00 55.36 55.75 1ni7 s GLN 29 Cb 0.09 -4.07 0.94 0.00 -1.01 0.00 0.00 33.01 28.96 1ni7 s GLN 29 CO 0.71 -1.81 1.64 2.35 0.01 0.00 0.00 175.29 178.19 1ni7 h TRP 30 N 10.08 0.63 -1.24 0.91 2.91 -2.00 1.50 115.95 128.75 1ni7 h TRP 30 Ca -0.26 0.05 0.38 0.00 1.13 0.00 0.00 58.89 60.19 1ni7 h TRP 30 Cb 1.07 -0.12 -0.11 0.00 -0.51 0.00 0.00 29.16 29.48 1ni7 h TRP 30 CO 1.05 -0.23 0.80 0.93 -1.03 0.00 0.00 178.44 179.96 1ni7 h GLU 31 N 0.23 0.17 0.55 2.65 5.08 -1.95 0.32 114.58 121.63 1ni7 h GLU 31 Ca 0.66 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.99 1ni7 h GLU 31 Cb 1.47 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.69 1ni7 h GLU 31 CO -0.66 0.11 -0.26 -0.44 -1.00 0.00 0.00 179.01 176.76 1ni7 h ASP 32 N 0.17 -0.63 -0.49 1.42 3.32 0.18 -1.01 116.42 119.38 1ni7 h ASP 32 Ca 0.74 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.79 1ni7 h ASP 32 Cb 2.25 0.16 -0.07 0.00 0.22 0.00 0.00 39.33 41.89 1ni7 h ASP 32 CO -0.36 -0.29 -0.40 0.11 -1.72 0.00 0.00 179.24 176.58 1ni7 h LYS 33 N -0.98 -0.13 -0.74 3.56 6.56 -0.38 1.76 116.57 126.23 1ni7 h LYS 33 Ca -0.08 0.01 0.20 0.00 -1.06 0.00 0.00 60.65 59.72 1ni7 h LYS 33 Cb 0.64 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.29 1ni7 h LYS 33 CO 0.12 -0.08 0.52 -0.92 -2.06 0.00 0.00 179.45 177.03 1ni7 h TYR 34 N -0.13 0.10 0.18 -1.35 3.20 -1.39 0.50 116.97 118.08 1ni7 h TYR 34 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1ni7 h TYR 34 Cb 0.34 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1ni7 h TYR 34 CO -0.85 0.03 -0.09 0.00 -1.64 0.00 0.00 178.16 175.61 1ni7 h ARG 35 N 0.08 -0.23 0.00 1.82 -0.00 0.25 -3.23 114.38 113.06 1ni7 h ARG 35 Ca 0.36 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.85 1ni7 h ARG 35 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.32 1ni7 h ARG 35 CO -0.03 -0.15 0.17 0.37 0.00 0.00 0.00 179.97 180.32 1ni7 h GLN 36 N -0.79 0.00 -0.64 0.04 -0.00 0.26 0.17 115.11 114.15 1ni7 h GLN 36 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 1ni7 h GLN 36 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.64 1ni7 h GLN 36 CO 0.04 0.00 0.17 -0.07 0.00 0.00 0.00 178.83 178.97 1ni7 h LEU 37 N 0.00 0.94 -1.13 -2.39 3.38 -0.02 -1.71 115.31 114.37 1ni7 h LEU 37 Ca 0.00 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1ni7 h LEU 37 Cb 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ni7 h LEU 37 CO 0.00 0.90 -0.09 0.40 0.09 0.00 0.00 178.44 179.73 1ni7 h ILE 38 N 0.96 1.22 -0.44 1.22 2.04 -0.71 -2.70 117.51 119.10 1ni7 h ILE 38 Ca 0.21 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1ni7 h ILE 38 Cb 0.32 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1ni7 h ILE 38 CO -0.00 0.31 0.12 -0.03 0.00 0.00 0.00 178.15 178.55 1ni7 h MET 39 N 0.46 0.70 -0.72 2.37 1.85 -1.34 -0.34 114.93 117.91 1ni7 h MET 39 Ca 0.09 -0.16 0.14 0.00 -0.61 0.00 0.00 59.70 59.16 1ni7 h MET 39 Cb 0.45 -0.09 -0.14 0.00 0.43 0.00 0.00 31.60 32.25 1ni7 h MET 39 CO 0.02 0.69 -0.19 1.25 -0.40 0.00 0.00 176.91 178.28 1ni7 h LEU 40 N 0.58 -0.72 0.17 3.39 7.12 -1.04 0.38 115.31 125.19 1ni7 h LEU 40 Ca 0.14 0.22 -0.01 0.00 0.13 0.00 0.00 57.88 58.36 1ni7 h LEU 40 Cb 0.30 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 1ni7 h LEU 40 CO -0.00 -0.24 -0.08 1.23 -0.13 0.00 0.00 178.44 179.21 1ni7 h GLY 41 N -0.01 -0.24 -0.77 3.75 0.00 -1.52 -3.10 103.07 101.18 1ni7 h GLY 41 Ca 0.34 0.09 0.37 0.00 0.00 0.00 0.00 47.33 48.13 1ni7 h GLY 41 CO -0.74 -0.09 0.65 0.50 0.00 0.00 0.00 176.54 176.86 1ni7 h LYS 42 N -0.74 0.18 -0.05 4.80 1.79 -0.03 0.81 116.57 123.33 1ni7 h LYS 42 Ca -0.02 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1ni7 h LYS 42 Cb 0.51 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1ni7 h LYS 42 CO 0.04 0.12 -0.07 0.37 -1.08 0.00 0.00 179.45 178.83 1ni7 h GLN 43 N 0.19 -0.10 -6.91 3.15 4.15 -0.22 -3.42 115.11 111.95 1ni7 h GLN 43 Ca 0.78 0.01 -0.54 0.00 0.77 0.00 0.00 58.65 59.66 1ni7 h GLN 43 Cb 2.06 0.02 0.10 0.00 0.21 0.00 0.00 27.48 29.87 1ni7 h GLN 43 CO -0.56 -0.07 0.80 -0.11 -1.93 0.00 0.00 178.83 176.95 1ni7 n LEU 44 N -5.20 4.69 -4.81 -2.39 0.00 0.28 -4.97 117.00 104.60 1ni7 n LEU 44 Ca -0.05 1.21 -0.31 0.00 0.00 0.00 0.00 56.01 56.87 1ni7 n LEU 44 Cb 0.13 -1.62 0.06 0.00 0.00 0.00 0.00 43.42 41.99 1ni7 n LEU 44 CO 0.28 0.16 0.71 -2.16 0.00 0.00 0.00 177.39 176.38 1ni7 s PRO 45 N -1.77 2.67 -0.48 1.96 0.04 -1.26 -4.95 135.00 131.21 1ni7 s PRO 45 Ca 0.55 0.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.17 1ni7 s PRO 45 Cb -0.48 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 1ni7 s PRO 45 CO 0.61 -1.26 1.58 0.00 0.04 0.00 0.00 177.00 177.96 1ni7 s ALA 46 N -3.08 2.77 0.09 8.56 0.00 -1.26 -4.93 121.76 123.90 1ni7 s ALA 46 Ca 0.59 -0.34 -0.34 0.00 0.00 0.00 0.00 51.96 51.87 1ni7 s ALA 46 Cb -0.14 -4.08 -0.14 0.00 0.00 0.00 0.00 23.12 18.76 1ni7 s ALA 46 CO 0.55 -2.90 1.64 -0.11 0.00 0.00 0.00 175.76 174.93 1ni7 n LEU 47 N 10.10 3.08 -4.80 0.00 7.94 -1.26 -4.95 117.00 127.12 1ni7 n LEU 47 Ca 0.17 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.84 1ni7 n LEU 47 Cb 0.49 -1.39 0.12 0.00 0.53 0.00 0.00 43.42 43.16 1ni7 n LEU 47 CO 0.70 -0.28 0.71 -2.16 -1.11 0.00 0.00 177.39 175.26 1ni7 s PRO 48 N 1.71 1.54 0.12 1.96 0.04 -1.26 -4.86 135.00 134.26 1ni7 s PRO 48 Ca 0.83 0.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 1ni7 s PRO 48 Cb -0.71 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1ni7 s PRO 48 CO 0.42 -1.95 1.59 0.22 0.04 0.00 0.00 177.00 177.32 1ni7 h ASP 49 N -1.32 0.65 -0.83 6.66 3.58 -1.98 0.39 116.42 123.57 1ni7 h ASP 49 Ca -0.49 -0.28 0.15 0.00 0.42 0.00 0.00 57.03 56.83 1ni7 h ASP 49 Cb 1.31 -0.17 -0.10 0.00 1.72 0.00 0.00 39.33 42.09 1ni7 h ASP 49 CO 0.61 0.77 0.40 1.05 -2.88 0.00 0.00 179.24 179.19 1ni7 h GLU 50 N 0.51 0.55 -0.03 0.28 4.11 -2.00 0.22 114.58 118.21 1ni7 h GLU 50 Ca 0.12 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.33 1ni7 h GLU 50 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ni7 h GLU 50 CO 0.01 0.36 -0.78 -0.07 0.07 0.00 0.00 179.01 178.61 1ni7 h LEU 51 N 0.57 0.33 -1.61 3.06 3.38 -1.87 -2.97 115.31 116.20 1ni7 h LEU 51 Ca 0.46 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1ni7 h LEU 51 Cb 0.68 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1ni7 h LEU 51 CO -0.38 0.98 0.45 0.11 0.09 0.00 0.00 178.44 179.69 1ni7 h LYS 52 N 0.17 0.40 0.00 1.13 1.57 0.16 0.84 116.57 120.85 1ni7 h LYS 52 Ca -0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ni7 h LYS 52 Cb 1.36 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1ni7 h LYS 52 CO 0.12 0.27 -0.12 0.00 -0.57 0.00 0.00 179.45 179.15 1ni7 h ALA 53 N 1.67 0.96 0.00 3.86 0.00 -1.06 -2.70 119.26 122.00 1ni7 h ALA 53 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ni7 h ALA 53 Cb 0.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ni7 h ALA 53 CO -0.09 0.15 -0.03 1.96 0.00 0.00 0.00 179.25 181.23 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 0.68 -3.46 115.11 119.83 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 0.84 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.37 1ni7 h GLN 54 CO 0.02 0.03 0.00 0.00 -1.50 0.00 0.00 178.83 177.37 1ni7 n ALA 55 N -2.11 0.00 -2.58 3.87 0.00 -0.55 -4.77 120.51 114.37 1ni7 n ALA 55 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1ni7 n ALA 55 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.35 2.12 -0.07 0.00 1.02 0.59 -4.86 119.74 117.19 1ni7 s LYS 56 Ca 0.00 -1.04 -0.25 0.00 0.02 0.00 0.00 55.97 54.70 1ni7 s LYS 56 Cb 0.00 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1ni7 s LYS 56 CO 0.00 0.50 0.76 -1.21 -0.92 0.00 0.00 175.35 174.48 1ni7 s GLU 57 N -2.27 4.44 -0.18 1.68 2.02 -1.26 -1.48 118.70 121.65 1ni7 s GLU 57 Ca 0.22 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.19 1ni7 s GLU 57 Cb -0.11 -3.47 0.04 0.00 0.10 0.00 0.00 34.13 30.70 1ni7 s GLU 57 CO 0.14 -0.01 -0.07 0.42 0.02 0.00 0.00 175.26 175.76 1ni7 s ILE 58 N 1.03 1.32 -0.53 -1.63 1.01 0.55 -4.98 121.20 117.97 1ni7 s ILE 58 Ca 0.40 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1ni7 s ILE 58 Cb -0.18 -1.46 0.13 0.00 0.01 0.00 0.00 42.46 40.97 1ni7 s ILE 58 CO 0.19 0.14 0.27 0.00 0.00 0.00 0.00 174.94 175.54 1ni7 s ALA 59 N 1.54 3.26 -0.05 9.38 0.00 -1.26 0.48 121.76 135.10 1ni7 s ALA 59 Ca -0.00 -3.27 0.02 0.00 0.00 0.00 0.00 51.96 48.71 1ni7 s ALA 59 Cb -0.16 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.89 1ni7 s ALA 59 CO -0.08 -2.03 0.57 0.41 0.00 0.00 0.00 175.76 174.63 1ni7 n GLY 60 N 3.06 -0.20 0.41 0.00 0.00 -1.26 -5.07 105.19 102.13 1ni7 n GLY 60 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.94 -3.44 114.58 113.59 1ni7 h GLU 62 Ca -0.03 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.82 1ni7 h GLU 62 Cb 0.15 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1ni7 h GLU 62 CO 0.04 0.00 0.42 -1.71 -1.16 0.00 0.00 179.01 176.60 1ni7 n ASN 63 N -3.15 -0.69 -4.39 1.42 2.85 -1.26 -5.05 115.26 104.99 1ni7 n ASN 63 Ca 0.05 -1.22 -0.44 0.00 -0.11 0.00 0.00 54.58 52.86 1ni7 n ASN 63 Cb 0.73 1.09 -0.01 0.00 1.24 0.00 0.00 39.78 42.82 1ni7 n ASN 63 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1ni7 n ARG 64 N -0.44 0.27 -3.87 1.20 1.85 -1.26 -4.61 116.66 109.80 1ni7 n ARG 64 Ca 0.01 0.10 -0.17 0.00 -1.00 0.00 0.00 57.85 56.80 1ni7 n ARG 64 Cb 0.30 -1.22 -0.16 0.00 -1.05 0.00 0.00 32.46 30.33 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ni7 s VAL 65 N -1.38 0.10 -0.03 8.89 1.01 0.18 -3.71 120.40 125.45 1ni7 s VAL 65 Ca 0.62 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1ni7 s VAL 65 Cb -0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1ni7 s VAL 65 CO 0.59 0.13 -0.21 0.26 0.00 0.00 0.00 175.10 175.87 1ni7 s TRP 66 N 1.08 2.48 -0.25 5.22 0.51 -1.07 0.21 118.94 127.10 1ni7 s TRP 66 Ca -0.09 -0.36 -0.18 0.00 -2.12 0.00 0.00 56.10 53.35 1ni7 s TRP 66 Cb -0.13 -1.56 0.07 0.00 -0.81 0.00 0.00 33.47 31.04 1ni7 s TRP 66 CO -0.02 0.03 0.64 -1.17 -0.51 0.00 0.00 176.95 175.92 1ni7 s LEU 67 N -0.61 -0.67 0.03 2.99 2.96 -0.55 -0.62 118.68 122.22 1ni7 s LEU 67 Ca 0.09 1.36 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 1ni7 s LEU 67 Cb -0.11 2.21 -0.02 0.00 0.50 0.00 0.00 46.19 48.77 1ni7 s LEU 67 CO -0.00 -0.23 -0.05 -0.83 -1.32 0.00 0.00 176.35 173.92 1ni7 s GLY 68 N 1.08 0.38 0.14 7.98 0.00 0.11 0.22 107.32 117.22 1ni7 s GLY 68 Ca -0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.76 1ni7 s GLY 68 CO -0.11 -0.81 0.43 -2.52 0.00 0.00 0.00 173.10 170.10 1ni7 s TYR 69 N -1.73 -0.19 0.08 1.90 1.13 -1.26 0.85 117.35 118.12 1ni7 s TYR 69 Ca -0.11 -0.12 -0.23 0.00 -1.41 0.00 0.00 57.07 55.20 1ni7 s TYR 69 Cb -0.08 0.29 0.06 0.00 -1.10 0.00 0.00 41.96 41.13 1ni7 s TYR 69 CO -0.01 -0.75 0.55 0.95 -2.51 0.00 0.00 175.55 173.78 1ni7 s THR 70 N -3.82 0.02 -0.07 -3.49 -4.23 -1.22 -4.96 115.64 97.88 1ni7 s THR 70 Ca 0.04 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1ni7 s THR 70 Cb 0.01 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 1ni7 s THR 70 CO -0.10 -0.10 -0.03 0.68 -0.54 0.00 0.00 174.62 174.52 1ni7 s VAL 71 N -2.85 4.02 0.00 2.29 -7.23 -1.26 -2.23 120.40 113.14 1ni7 s VAL 71 Ca -0.03 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1ni7 s VAL 71 Cb -0.00 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1ni7 s VAL 71 CO -0.05 0.59 0.00 0.00 -0.31 0.00 0.00 175.10 175.33 1ni7 n ALA 72 N 2.12 0.00 0.22 1.32 0.00 -1.23 -4.87 120.51 118.06 1ni7 n ALA 72 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1ni7 n ALA 72 Cb 0.53 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.47 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 0.00 0.00 0.00 5.08 -2.00 -1.94 114.58 115.72 1ni7 h GLU 73 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1ni7 h GLU 73 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ni7 h GLU 73 CO 0.00 0.24 -1.19 -0.91 -1.00 0.00 0.00 179.01 176.15 1ni7 h ASN 74 N 0.00 0.00 0.00 1.42 2.35 -2.04 -3.48 115.58 113.84 1ni7 h ASN 74 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ni7 h ASN 74 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1ni7 h ASN 74 CO 0.03 0.50 0.00 0.61 -1.65 0.00 0.00 177.43 176.92 1ni7 n GLY 75 N 1.34 2.63 3.38 2.83 0.00 -0.73 -5.03 105.19 109.62 1ni7 n GLY 75 Ca -0.06 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.81 0.40 -1.87 1.61 5.02 -1.26 -4.13 118.16 117.12 1ni7 n LYS 76 Ca 0.00 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 1ni7 n LYS 76 Cb 0.00 -1.93 0.02 0.00 -0.02 0.00 0.00 35.03 33.10 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 6.86 3.27 -0.24 1.97 -1.94 -1.01 -3.54 119.30 124.67 1ni7 s MET 77 Ca 1.19 1.01 -0.04 0.00 -1.71 0.00 0.00 55.69 56.14 1ni7 s MET 77 Cb -1.16 -2.03 0.09 0.00 2.01 0.00 0.00 34.83 33.73 1ni7 s MET 77 CO 0.54 -0.84 0.13 -1.01 -0.01 0.00 0.00 175.02 173.84 1ni7 s HIS 78 N -2.81 0.18 0.34 -0.03 3.76 -0.95 -4.14 115.29 111.64 1ni7 s HIS 78 Ca 0.60 -0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 54.78 1ni7 s HIS 78 Cb -0.14 -0.76 -0.09 0.00 1.11 0.00 0.00 32.58 32.70 1ni7 s HIS 78 CO 0.46 -0.71 0.78 -0.06 -0.85 0.00 0.00 174.74 174.36 1ni7 s PHE 79 N 2.15 3.39 -0.30 1.40 0.40 -1.26 -3.39 117.98 120.36 1ni7 s PHE 79 Ca 0.06 1.32 -0.11 0.00 -0.60 0.00 0.00 56.93 57.60 1ni7 s PHE 79 Cb -0.16 -2.61 0.16 0.00 0.51 0.00 0.00 43.02 40.92 1ni7 s PHE 79 CO -0.25 0.07 0.82 -0.59 0.70 0.00 0.00 175.22 175.97 1ni7 s PHE 80 N -1.98 -1.03 0.00 0.36 -0.12 0.25 -4.96 117.98 110.49 1ni7 s PHE 80 Ca 0.55 1.57 0.00 0.00 -0.05 0.00 0.00 56.93 59.00 1ni7 s PHE 80 Cb -0.11 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1ni7 s PHE 80 CO 0.17 -0.53 0.00 0.41 -0.05 0.00 0.00 175.22 175.22 1ni7 n GLY 81 N 5.26 4.24 0.75 1.99 0.00 -1.26 0.04 105.19 116.21 1ni7 n GLY 81 Ca -0.08 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.32 -3.60 1.61 5.75 0.21 -4.93 116.55 115.28 1ni7 n ASP 82 Ca 0.00 -1.15 -0.12 0.00 -0.01 0.00 0.00 54.79 53.51 1ni7 n ASP 82 Cb 0.00 0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.49 -0.49 -0.16 -1.12 0.15 -1.26 -2.61 113.70 106.71 1ni7 s SER 83 Ca 0.05 0.75 0.04 0.00 0.70 0.00 0.00 55.95 57.49 1ni7 s SER 83 Cb -0.00 0.69 0.34 0.00 -1.71 0.00 0.00 66.02 65.34 1ni7 s SER 83 CO 0.01 -0.30 1.27 -0.62 1.20 0.00 0.00 173.24 174.79 1ni7 n GLU 84 N 1.53 2.16 -4.19 5.44 4.71 -1.24 -4.67 120.64 124.38 1ni7 n GLU 84 Ca -0.13 -1.43 -0.28 0.00 -0.01 0.00 0.00 57.16 55.31 1ni7 n GLU 84 Cb 0.57 -1.69 -0.04 0.00 -1.01 0.00 0.00 31.44 29.26 1ni7 n GLU 84 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ni7 s GLY 85 N -0.20 2.55 -0.15 0.62 0.00 -1.26 -4.98 107.32 103.90 1ni7 s GLY 85 Ca 0.26 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 1ni7 s GLY 85 CO 0.06 -2.01 -0.16 0.54 0.00 0.00 0.00 173.10 171.53 1ni7 n ARG 86 N -1.51 0.46 0.04 2.90 1.74 -1.26 -3.79 116.66 115.25 1ni7 n ARG 86 Ca -0.07 0.52 -0.20 0.00 -0.77 0.00 0.00 57.85 57.34 1ni7 n ARG 86 Cb 0.65 -1.69 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 1ni7 n ARG 86 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ni7 h ILE 87 N -1.00 1.48 -1.00 0.55 1.08 -1.91 -3.24 117.51 113.47 1ni7 h ILE 87 Ca -0.02 -2.43 0.23 0.00 -0.39 0.00 0.00 64.86 62.25 1ni7 h ILE 87 Cb 0.57 3.05 -0.10 0.00 -3.07 0.00 0.00 36.82 37.27 1ni7 h ILE 87 CO -0.01 0.69 0.63 0.58 -0.69 0.00 0.00 178.15 179.35 1ni7 h VAL 88 N -0.28 0.60 -0.68 1.67 2.07 -1.95 0.79 116.25 118.47 1ni7 h VAL 88 Ca -0.13 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1ni7 h VAL 88 Cb 1.59 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1ni7 h VAL 88 CO 0.15 0.10 0.35 -0.09 0.02 0.00 0.00 177.57 178.09 1ni7 h ARG 89 N 0.52 0.95 -0.02 1.57 2.43 -1.65 -2.05 114.38 116.13 1ni7 h ARG 89 Ca 0.58 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 59.44 1ni7 h ARG 89 Cb 1.24 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1ni7 h ARG 89 CO -0.32 0.72 -0.74 0.78 -1.51 0.00 0.00 179.97 178.89 1ni7 h GLY 90 N 1.01 0.60 0.09 2.80 0.00 0.37 -3.22 103.07 104.72 1ni7 h GLY 90 Ca 0.24 -1.01 0.10 0.00 0.00 0.00 0.00 47.33 46.65 1ni7 h GLY 90 CO -0.03 0.90 -0.08 1.41 0.00 0.00 0.00 176.54 178.74 1ni7 h LEU 91 N 0.12 -0.36 -0.43 3.11 3.38 -0.31 -0.14 115.31 120.69 1ni7 h LEU 91 Ca -0.09 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1ni7 h LEU 91 Cb 1.42 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 42.35 1ni7 h LEU 91 CO 0.15 -0.13 -0.23 0.25 0.09 0.00 0.00 178.44 178.57 1ni7 h LEU 92 N 0.04 -0.77 0.02 1.67 6.46 -1.43 -0.17 115.31 121.13 1ni7 h LEU 92 Ca 0.24 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 58.18 1ni7 h LEU 92 Cb 0.36 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1ni7 h LEU 92 CO -0.46 -0.25 -0.28 0.00 -0.62 0.00 0.00 178.44 176.83 1ni7 h ALA 93 N 1.10 -0.75 -0.99 1.25 0.00 -1.08 0.25 119.26 119.05 1ni7 h ALA 93 Ca 0.20 -0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.33 1ni7 h ALA 93 Cb 0.46 0.72 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1ni7 h ALA 93 CO -0.51 -0.83 0.00 0.28 0.00 0.00 0.00 179.25 178.19 1ni7 n VAL 94 N -4.02 -0.41 0.29 0.00 0.31 -0.56 0.82 118.33 114.75 1ni7 n VAL 94 Ca -0.04 2.18 -0.17 0.00 -0.01 0.00 0.00 64.34 66.30 1ni7 n VAL 94 Cb 0.21 -3.17 -0.08 0.00 -0.91 0.00 0.00 33.84 29.89 1ni7 n VAL 94 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ni7 h LEU 95 N 0.00 -0.84 -1.94 7.52 6.46 0.53 0.12 115.31 127.16 1ni7 h LEU 95 Ca 0.59 0.05 0.21 0.00 -0.12 0.00 0.00 57.88 58.61 1ni7 h LEU 95 Cb 1.20 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 41.35 1ni7 h LEU 95 CO -0.93 -0.51 0.54 -0.07 -0.62 0.00 0.00 178.44 176.84 1ni7 h LEU 96 N -0.80 0.05 -0.55 2.25 4.07 0.37 0.99 115.31 121.70 1ni7 h LEU 96 Ca -0.06 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 1ni7 h LEU 96 Cb 0.66 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 1ni7 h LEU 96 CO 0.04 0.02 -0.59 0.74 -1.08 0.00 0.00 178.44 177.57 1ni7 h THR 97 N 0.05 1.22 -0.14 0.22 2.02 0.13 -2.69 112.91 113.72 1ni7 h THR 97 Ca 0.36 -2.20 -0.22 0.00 0.77 0.00 0.00 66.41 65.13 1ni7 h THR 97 Cb 1.37 2.26 0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1ni7 h THR 97 CO -0.02 0.58 -0.79 0.00 0.37 0.00 0.00 175.52 175.66 1ni7 h ALA 98 N 1.41 0.32 -0.76 6.16 0.00 0.35 -3.01 119.26 123.72 1ni7 h ALA 98 Ca -0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 54.91 53.88 1ni7 h ALA 98 Cb 1.21 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 1ni7 h ALA 98 CO 0.08 0.69 0.53 1.33 0.00 0.00 0.00 179.25 181.88 1ni7 n VAL 99 N -3.92 2.78 -1.54 0.00 0.24 -0.31 -4.91 118.33 110.66 1ni7 n VAL 99 Ca -0.07 -1.61 -0.22 0.00 -2.04 0.00 0.00 64.34 60.40 1ni7 n VAL 99 Cb 0.75 -0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 32.33 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 -0.69 0.55 -3.22 7.34 0.00 -1.02 -3.41 120.64 120.19 1ni7 n GLU 100 Ca 0.46 -0.46 -0.22 0.00 0.00 0.00 0.00 57.16 56.95 1ni7 n GLU 100 Cb 1.27 -3.06 0.02 0.00 0.00 0.00 0.00 31.44 29.67 1ni7 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ni7 n GLY 101 N 6.39 -0.64 3.16 8.31 0.00 -1.26 -5.02 105.19 116.14 1ni7 n GLY 101 Ca 0.49 0.95 -0.08 0.00 0.00 0.00 0.00 46.02 47.38 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 -2.19 0.75 0.24 1.61 1.02 -1.22 -4.93 119.74 115.02 1ni7 s LYS 102 Ca 0.26 -1.00 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 1ni7 s LYS 102 Cb -0.04 0.29 -0.08 0.00 -0.52 0.00 0.00 37.83 37.48 1ni7 s LYS 102 CO 0.70 -0.21 0.68 0.95 -0.92 0.00 0.00 175.35 176.55 1ni7 s THR 103 N -3.72 4.70 0.20 2.17 -4.23 -1.26 -2.41 115.64 111.09 1ni7 s THR 103 Ca 0.04 1.00 -0.22 0.00 -1.18 0.00 0.00 61.69 61.33 1ni7 s THR 103 Cb 0.05 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.29 1ni7 s THR 103 CO -0.10 0.05 1.55 0.00 -0.54 0.00 0.00 174.62 175.58 1ni7 h ALA 104 N 2.95 -0.11 -0.52 3.99 0.00 -1.95 0.85 119.26 124.48 1ni7 h ALA 104 Ca -0.48 0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1ni7 h ALA 104 Cb 1.18 1.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.97 1ni7 h ALA 104 CO 0.66 -0.75 -0.08 0.00 0.00 0.00 0.00 179.25 179.08 1ni7 h ALA 105 N 1.02 0.40 -0.46 0.00 0.00 -1.93 0.51 119.26 118.80 1ni7 h ALA 105 Ca 0.27 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.45 1ni7 h ALA 105 Cb 0.54 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1ni7 h ALA 105 CO -0.92 -0.42 0.04 0.93 0.00 0.00 0.00 179.25 178.88 1ni7 h GLU 106 N 0.04 0.15 -0.68 0.00 4.39 0.19 0.42 114.58 119.10 1ni7 h GLU 106 Ca 0.26 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.04 1ni7 h GLU 106 Cb 0.39 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 1ni7 h GLU 106 CO -0.50 0.10 0.32 -0.07 -1.16 0.00 0.00 179.01 177.70 1ni7 h LEU 107 N 0.16 0.41 -1.39 1.33 3.38 0.14 0.20 115.31 119.54 1ni7 h LEU 107 Ca 0.23 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1ni7 h LEU 107 Cb 0.32 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ni7 h LEU 107 CO -0.35 0.24 0.22 1.56 0.09 0.00 0.00 178.44 180.20 1ni7 h GLN 108 N 0.55 0.63 0.00 1.13 4.20 0.58 0.34 115.11 122.54 1ni7 h GLN 108 Ca 0.33 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1ni7 h GLN 108 Cb 0.36 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ni7 h GLN 108 CO -0.27 0.49 -0.10 0.00 -0.67 0.00 0.00 178.83 178.28 1ni7 h ALA 109 N 1.61 0.97 -2.41 3.87 0.00 0.12 -3.40 119.26 120.02 1ni7 h ALA 109 Ca 0.16 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 1ni7 h ALA 109 Cb 0.07 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 17.49 1ni7 h ALA 109 CO -0.02 0.13 -0.66 -1.14 0.00 0.00 0.00 179.25 177.55 1ni7 s GLN 110 N -3.46 0.25 0.57 0.00 0.74 0.44 -5.09 119.66 113.11 1ni7 s GLN 110 Ca 0.03 -0.11 -0.18 0.00 0.05 0.00 0.00 55.36 55.15 1ni7 s GLN 110 Cb 0.08 -0.96 -0.05 0.00 1.10 0.00 0.00 33.01 33.19 1ni7 s GLN 110 CO 0.62 -0.90 1.10 -1.12 -0.55 0.00 0.00 175.29 174.44 1ni7 s SER 111 N 2.29 5.70 0.00 6.67 0.01 -1.03 -4.42 113.70 122.93 1ni7 s SER 111 Ca 0.08 2.03 0.22 0.00 1.31 0.00 0.00 55.95 59.60 1ni7 s SER 111 Cb -0.15 -2.56 1.33 0.00 0.21 0.00 0.00 66.02 64.84 1ni7 s SER 111 CO -0.27 -1.23 1.72 -0.81 0.41 0.00 0.00 173.24 173.07 1ni7 n PRO 112 N -1.62 0.75 0.17 12.44 -0.04 -1.26 -2.41 135.00 143.04 1ni7 n PRO 112 Ca 0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1ni7 n PRO 112 Cb 0.52 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.60 1ni7 n PRO 112 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ni7 h LEU 113 N 0.00 0.00 -0.24 1.53 3.38 -1.99 -3.24 115.31 114.75 1ni7 h LEU 113 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ni7 h LEU 113 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ni7 h LEU 113 CO 0.00 0.27 0.14 0.00 0.09 0.00 0.00 178.44 178.95 1ni7 h ALA 114 N 1.73 0.30 0.97 1.53 0.00 -1.86 0.25 119.26 122.18 1ni7 h ALA 114 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ni7 h ALA 114 Cb 1.21 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ni7 h ALA 114 CO 0.03 -0.25 -0.48 1.25 0.00 0.00 0.00 179.25 179.80 1ni7 h LEU 115 N 0.30 -1.16 -0.84 0.00 6.46 -1.77 1.05 115.31 119.36 1ni7 h LEU 115 Ca 0.09 0.04 0.20 0.00 -0.12 0.00 0.00 57.88 58.10 1ni7 h LEU 115 Cb -0.01 0.30 -0.12 0.00 -0.73 0.00 0.00 40.66 40.11 1ni7 h LEU 115 CO -0.04 -0.81 0.29 -0.26 -0.62 0.00 0.00 178.44 177.00 1ni7 h PHE 116 N -1.33 0.46 -0.28 1.25 0.04 -1.56 0.58 116.94 116.10 1ni7 h PHE 116 Ca -0.13 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1ni7 h PHE 116 Cb 1.02 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1ni7 h PHE 116 CO -0.01 -0.08 -0.18 0.22 -0.60 0.00 0.00 178.31 177.65 1ni7 h ASP 117 N 0.33 0.65 0.68 2.17 3.58 -0.22 0.56 116.42 124.17 1ni7 h ASP 117 Ca 0.50 -0.43 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1ni7 h ASP 117 Cb 0.93 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1ni7 h ASP 117 CO -0.54 0.95 -0.46 -0.33 -2.88 0.00 0.00 179.24 175.97 1ni7 h GLU 118 N 0.37 -1.04 -0.00 0.28 4.39 0.42 -2.05 114.58 116.94 1ni7 h GLU 118 Ca 0.06 0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ni7 h GLU 118 Cb 0.72 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1ni7 h GLU 118 CO 0.05 -0.70 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.11 1ni7 h LEU 119 N -1.08 0.00 -0.87 1.33 3.38 -0.07 -3.46 115.31 114.54 1ni7 h LEU 119 Ca -0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ni7 h LEU 119 Cb 0.88 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ni7 h LEU 119 CO 0.06 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1ni7 n GLY 120 N -1.47 0.88 0.11 0.83 0.00 0.62 -5.00 105.19 101.16 1ni7 n GLY 120 Ca -0.03 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 0.28 -1.39 0.99 3.38 -0.30 -3.32 115.31 114.95 1ni7 h LEU 121 Ca 0.00 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 57.10 1ni7 h LEU 121 Cb 0.74 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ni7 h LEU 121 CO 0.00 1.49 -0.23 -0.09 0.09 0.00 0.00 178.44 179.70 1ni7 h ARG 122 N -0.52 0.00 0.06 1.13 1.12 -1.88 -0.68 114.38 113.62 1ni7 h ARG 122 Ca -0.25 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.62 1ni7 h ARG 122 Cb 1.57 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.52 1ni7 h ARG 122 CO 0.02 0.23 -0.10 0.00 -3.11 0.00 0.00 179.97 177.01 1ni7 h ALA 123 N 1.77 -0.16 -0.01 2.80 0.00 -1.82 -3.12 119.26 118.71 1ni7 h ALA 123 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ni7 h ALA 123 Cb 0.62 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ni7 h ALA 123 CO 0.03 -0.61 -0.16 0.37 0.00 0.00 0.00 179.25 178.88 1ni7 h GLN 124 N -0.20 0.13 -6.08 0.00 5.75 -1.62 -3.44 115.11 109.64 1ni7 h GLN 124 Ca 0.02 -0.12 -0.73 0.00 -0.15 0.00 0.00 58.65 57.66 1ni7 h GLN 124 Cb 0.21 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1ni7 h GLN 124 CO -0.05 0.84 1.07 1.28 -2.65 0.00 0.00 178.83 179.31 1ni7 n LEU 125 N -4.59 2.08 -4.09 -2.39 4.77 -0.27 -4.87 117.00 107.64 1ni7 n LEU 125 Ca -0.09 0.87 -0.26 0.00 -0.03 0.00 0.00 56.01 56.50 1ni7 n LEU 125 Cb 0.44 -1.13 0.13 0.00 -2.33 0.00 0.00 43.42 40.53 1ni7 n LEU 125 CO 0.37 -0.56 -0.61 -1.20 -1.33 0.00 0.00 177.39 174.06 1ni7 n SER 126 N 6.68 -2.71 0.23 -1.43 7.64 -1.26 -4.28 113.62 118.48 1ni7 n SER 126 Ca 0.34 -0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1ni7 n SER 126 Cb 0.12 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.10 -0.58 -0.73 -0.43 0.00 -1.92 0.50 119.26 114.02 1ni7 h ALA 127 Ca -0.37 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1ni7 h ALA 127 Cb 1.06 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1ni7 h ALA 127 CO 0.24 -0.70 -0.45 1.03 0.00 0.00 0.00 179.25 179.37 1ni7 h SER 128 N -0.81 -1.64 0.12 0.00 0.87 -1.99 1.35 113.55 111.45 1ni7 h SER 128 Ca -0.06 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1ni7 h SER 128 Cb 0.55 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1ni7 h SER 128 CO 0.10 -0.19 -0.06 0.03 -0.53 0.00 0.00 176.83 176.18 1ni7 h ARG 129 N -0.03 -0.16 -1.05 2.24 -0.00 -1.89 -2.44 114.38 111.06 1ni7 h ARG 129 Ca 0.12 0.01 0.29 0.00 -0.50 0.00 0.00 59.98 59.90 1ni7 h ARG 129 Cb 0.32 0.04 -0.12 0.00 0.00 0.00 0.00 29.97 30.21 1ni7 h ARG 129 CO -0.70 -0.00 0.64 1.03 0.00 0.00 0.00 179.97 180.94 1ni7 h SER 130 N -0.28 0.52 -0.55 7.04 0.87 0.16 1.15 113.55 122.46 1ni7 h SER 130 Ca -0.02 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1ni7 h SER 130 Cb 0.23 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1ni7 h SER 130 CO 0.03 0.01 0.30 -0.61 -0.53 0.00 0.00 176.83 176.03 1ni7 h GLN 131 N 0.41 0.80 0.00 2.24 -0.00 0.22 -1.21 115.11 117.58 1ni7 h GLN 131 Ca 0.67 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 59.15 1ni7 h GLN 131 Cb 1.56 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.87 1ni7 h GLN 131 CO -0.45 0.60 -0.39 0.78 0.00 0.00 0.00 178.83 179.37 1ni7 h GLY 132 N 0.89 0.00 0.46 2.39 0.00 0.15 -2.41 103.07 104.54 1ni7 h GLY 132 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1ni7 h GLY 132 CO -0.03 0.00 -0.22 -2.00 0.00 0.00 0.00 176.54 174.29 1ni7 h LEU 133 N 0.00 -0.52 -1.69 3.11 5.85 -0.46 -1.89 115.31 119.71 1ni7 h LEU 133 Ca -0.00 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.00 1ni7 h LEU 133 Cb 0.76 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1ni7 h LEU 133 CO 0.05 -0.29 0.68 -0.55 -0.34 0.00 0.00 178.44 178.00 1ni7 h ASN 134 N -0.78 0.23 -0.40 1.25 7.08 -1.50 1.22 115.58 122.67 1ni7 h ASN 134 Ca -0.06 0.04 -0.04 0.00 -3.08 0.00 0.00 56.30 53.15 1ni7 h ASN 134 Cb 0.47 -0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.68 1ni7 h ASN 134 CO 0.10 0.06 0.12 0.00 -2.08 0.00 0.00 177.43 175.64 1ni7 h ALA 135 N 1.56 1.34 -0.08 4.14 0.00 -1.23 0.16 119.26 125.14 1ni7 h ALA 135 Ca 0.52 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 1ni7 h ALA 135 Cb 1.63 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ni7 h ALA 135 CO -0.14 0.47 -0.77 -0.07 0.00 0.00 0.00 179.25 178.75 1ni7 h LEU 136 N 0.69 0.57 0.53 0.00 3.38 0.23 -2.90 115.31 117.80 1ni7 h LEU 136 Ca 0.16 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1ni7 h LEU 136 Cb 0.24 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ni7 h LEU 136 CO -0.00 1.14 -0.25 -1.28 0.09 0.00 0.00 178.44 178.13 1ni7 h SER 137 N 0.31 -0.60 -1.02 -0.43 0.87 -0.32 -2.74 113.55 109.63 1ni7 h SER 137 Ca -0.04 -0.06 0.29 0.00 -1.23 0.00 0.00 61.79 60.75 1ni7 h SER 137 Cb 1.36 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.43 1ni7 h SER 137 CO 0.14 -0.26 0.73 1.05 -0.53 0.00 0.00 176.83 177.96 1ni7 h GLU 138 N -0.97 0.01 -0.88 2.24 4.11 -0.79 0.72 114.58 119.03 1ni7 h GLU 138 Ca -0.07 -0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.44 1ni7 h GLU 138 Cb 0.62 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1ni7 h GLU 138 CO 0.12 0.01 0.57 0.00 0.07 0.00 0.00 179.01 179.78 1ni7 h ALA 139 N 1.50 1.59 -0.05 1.06 0.00 -1.26 0.26 119.26 122.35 1ni7 h ALA 139 Ca 0.49 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.15 1ni7 h ALA 139 Cb 1.92 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.50 1ni7 h ALA 139 CO -0.01 0.25 -0.86 0.82 0.00 0.00 0.00 179.25 179.45 1ni7 h ILE 140 N 0.93 1.31 -0.02 0.00 2.04 0.44 -2.68 117.51 119.53 1ni7 h ILE 140 Ca 0.39 -2.11 0.03 0.00 1.00 0.00 0.00 64.86 64.17 1ni7 h ILE 140 Cb 0.31 2.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1ni7 h ILE 140 CO -0.16 0.65 -0.15 0.40 0.00 0.00 0.00 178.15 178.90 1ni7 h ILE 141 N 0.33 0.63 -0.76 -0.67 1.08 -0.69 0.71 117.51 118.15 1ni7 h ILE 141 Ca -0.09 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1ni7 h ILE 141 Cb 1.52 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 1ni7 h ILE 141 CO 0.17 0.00 0.50 0.00 -0.69 0.00 0.00 178.15 178.13 1ni7 h ALA 142 N 0.73 1.77 0.38 1.87 0.00 -0.60 0.78 119.26 124.19 1ni7 h ALA 142 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ni7 h ALA 142 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ni7 h ALA 142 CO -0.16 0.08 -0.18 0.00 0.00 0.00 0.00 179.25 178.99 1ni7 h ALA 143 N 1.61 -0.51 -0.88 0.00 0.00 -0.74 -3.00 119.26 115.74 1ni7 h ALA 143 Ca 0.34 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1ni7 h ALA 143 Cb 0.41 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1ni7 h ALA 143 CO -0.12 -0.59 0.54 1.79 0.00 0.00 0.00 179.25 180.86 1ni7 h THR 144 N -0.91 1.01 -0.98 0.00 1.35 0.10 0.76 112.91 114.23 1ni7 h THR 144 Ca -0.05 -0.33 0.26 0.00 -0.55 0.00 0.00 66.41 65.74 1ni7 h THR 144 Cb 0.54 -0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 66.87 1ni7 h THR 144 CO 0.09 0.17 0.67 0.50 -0.25 0.00 0.00 175.52 176.70 1ni7 h LYS 145 N 0.96 0.21 -0.01 4.72 3.64 0.59 0.61 116.57 127.28 1ni7 h LYS 145 Ca 0.40 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1ni7 h LYS 145 Cb 0.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ni7 h LYS 145 CO -0.20 0.14 -0.09 0.37 -2.27 0.00 0.00 179.45 177.41 1ni7 h GLN 146 N 0.22 0.07 -0.36 1.90 -0.00 -0.72 -1.15 115.11 115.08 1ni7 h GLN 146 Ca 0.51 -0.07 0.04 0.00 -0.00 0.00 0.00 58.65 59.12 1ni7 h GLN 146 Cb 1.59 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 29.05 1ni7 h GLN 146 CO -0.13 0.79 0.15 0.28 0.00 0.00 0.00 178.83 179.91 1ni7 h VAL 147 N -0.62 0.93 0.00 2.39 2.07 -0.34 0.66 116.25 121.34 1ni7 h VAL 147 Ca -0.01 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1ni7 h VAL 147 Cb 0.81 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ni7 h VAL 147 CO 0.02 0.06 -0.16 -0.07 0.02 0.00 0.00 177.57 177.43 1ni7 h LEU 148 N 0.31 0.00 0.00 2.57 3.38 0.01 -3.52 115.31 118.07 1ni7 h LEU 148 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ni7 h LEU 148 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ni7 h LEU 148 CO -0.14 0.16 0.00 1.21 0.09 0.00 0.00 178.44 179.76