#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 0.00 0.01 2.03 -4.23 -1.26 -5.18 115.64 107.02 1ni7 s THR 2 Ca 0.00 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1ni7 s THR 2 Cb 0.00 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1ni7 s THR 2 CO 0.00 0.00 -0.03 0.20 -0.54 0.00 0.00 174.62 174.25 1ni7 s ASN 3 N -3.22 0.28 -0.53 3.99 -0.87 -1.26 -5.10 114.94 108.23 1ni7 s ASN 3 Ca 0.28 -0.30 -0.28 0.00 -1.57 0.00 0.00 52.86 50.99 1ni7 s ASN 3 Cb -0.01 0.04 0.01 0.00 -0.02 0.00 0.00 41.25 41.27 1ni7 s ASN 3 CO 0.19 -0.15 1.47 -2.16 -2.57 0.00 0.00 177.10 173.89 1ni7 s PRO 4 N -0.85 3.29 -0.20 -0.60 0.04 -1.26 -4.94 135.00 130.48 1ni7 s PRO 4 Ca -0.08 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 1ni7 s PRO 4 Cb -0.06 -4.13 0.10 0.00 0.04 0.00 0.00 34.50 30.44 1ni7 s PRO 4 CO -0.00 -1.94 0.26 1.14 0.04 0.00 0.00 177.00 176.51 1ni7 s GLN 5 N 5.55 0.22 -0.05 4.56 -2.07 -1.26 -5.14 119.66 121.47 1ni7 s GLN 5 Ca 0.57 0.39 -0.31 0.00 -1.82 0.00 0.00 55.36 54.18 1ni7 s GLN 5 Cb -0.12 -0.81 0.13 0.00 -1.09 0.00 0.00 33.01 31.11 1ni7 s GLN 5 CO 0.26 -0.58 1.35 -0.59 -1.32 0.00 0.00 175.29 174.41 1ni7 s PHE 6 N 2.39 -0.02 0.05 9.60 -0.71 -1.26 -5.11 117.98 122.93 1ni7 s PHE 6 Ca 0.07 -0.05 0.07 0.00 -1.04 0.00 0.00 56.93 55.98 1ni7 s PHE 6 Cb -0.15 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 1ni7 s PHE 6 CO -0.12 -0.17 -0.19 0.00 -1.34 0.00 0.00 175.22 173.40 1ni7 s ALA 7 N -2.21 1.59 -0.47 1.99 0.00 -1.26 -5.06 121.76 116.34 1ni7 s ALA 7 Ca 0.17 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1ni7 s ALA 7 Cb 0.05 -0.27 0.14 0.00 0.00 0.00 0.00 23.12 23.04 1ni7 s ALA 7 CO -0.05 0.34 0.28 0.20 0.00 0.00 0.00 175.76 176.53 1ni7 s GLY 8 N -1.32 1.80 0.00 0.00 0.00 -1.26 -5.11 107.32 101.43 1ni7 s GLY 8 Ca 0.05 -2.74 -0.12 0.00 0.00 0.00 0.00 44.72 41.91 1ni7 s GLY 8 CO 0.02 1.53 0.36 -2.38 0.00 0.00 0.00 173.10 172.63 1ni7 s HIS 9 N 0.10 3.67 -0.69 1.90 -3.43 -1.26 -4.97 115.29 110.61 1ni7 s HIS 9 Ca 0.20 0.86 0.24 0.00 -0.80 0.00 0.00 55.06 55.56 1ni7 s HIS 9 Cb -0.19 -2.19 0.91 0.00 -1.43 0.00 0.00 32.58 29.67 1ni7 s HIS 9 CO -0.04 0.63 1.74 -0.35 -2.00 0.00 0.00 174.74 174.72 1ni7 n PRO 10 N 1.59 0.18 -1.37 -0.38 -0.04 -1.26 -4.36 135.00 129.36 1ni7 n PRO 10 Ca -0.13 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 1ni7 n PRO 10 Cb 0.53 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 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 -2.09 2.38 0.00 0.54 3.72 -1.26 -1.99 117.46 118.76 1ni7 n PHE 11 Ca 0.04 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.34 1ni7 n PHE 11 Cb 0.31 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 36.88 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 4.50 0.00 1.02 1.37 0.00 -1.24 -3.26 105.19 107.58 1ni7 n GLY 12 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.01 2.61 -1.04 -1.14 -4.67 114.28 110.04 1ni7 n THR 13 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1ni7 n THR 13 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1ni7 n THR 13 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ni7 n THR 14 N -3.17 0.07 -2.81 12.58 -1.04 -1.21 -4.88 114.28 113.82 1ni7 n THR 14 Ca 0.00 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1ni7 n THR 14 Cb 0.00 -0.70 -0.02 0.00 -1.82 0.00 0.00 70.33 67.79 1ni7 n THR 14 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ni7 s VAL 15 N -2.02 4.52 0.58 12.58 1.01 -0.84 -4.71 120.40 131.51 1ni7 s VAL 15 Ca -0.01 -1.57 0.08 0.00 0.00 0.00 0.00 61.98 60.48 1ni7 s VAL 15 Cb 0.00 -4.91 0.07 0.00 0.00 0.00 0.00 36.38 31.55 1ni7 s VAL 15 CO 0.03 -1.68 0.62 0.42 0.00 0.00 0.00 175.10 174.49 1ni7 s THR 16 N 3.22 1.80 0.52 3.92 -4.23 -1.26 -3.73 115.64 115.88 1ni7 s THR 16 Ca 0.39 -1.24 0.24 0.00 -1.18 0.00 0.00 61.69 59.90 1ni7 s THR 16 Cb -0.02 -2.04 0.30 0.00 1.34 0.00 0.00 72.50 72.07 1ni7 s THR 16 CO -0.07 0.00 2.16 0.00 -0.54 0.00 0.00 174.62 176.18 1ni7 h ALA 17 N 0.41 1.61 0.15 3.99 0.00 -1.94 -0.29 119.26 123.19 1ni7 h ALA 17 Ca -0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ni7 h ALA 17 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ni7 h ALA 17 CO 0.48 0.06 -0.07 1.49 0.00 0.00 0.00 179.25 181.21 1ni7 h GLU 18 N 0.00 -0.19 -0.91 0.00 4.81 -1.95 -2.44 114.58 113.89 1ni7 h GLU 18 Ca -0.00 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.46 1ni7 h GLU 18 Cb 0.10 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.41 1ni7 h GLU 18 CO 0.01 -0.13 0.43 1.15 -0.73 0.00 0.00 179.01 179.74 1ni7 h THR 19 N -0.92 0.52 -0.75 0.32 2.02 -1.80 0.60 112.91 112.90 1ni7 h THR 19 Ca -0.02 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1ni7 h THR 19 Cb 0.15 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1ni7 h THR 19 CO 0.03 0.08 0.31 -0.07 0.37 0.00 0.00 175.52 176.25 1ni7 h LEU 20 N 0.46 1.02 -1.61 2.58 3.38 -1.16 -1.24 115.31 118.75 1ni7 h LEU 20 Ca 0.56 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 1ni7 h LEU 20 Cb 1.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ni7 h LEU 20 CO -0.49 0.91 -0.13 -0.09 0.09 0.00 0.00 178.44 178.72 1ni7 h ARG 21 N 1.08 0.00 0.00 1.13 2.43 0.56 -1.53 114.38 118.04 1ni7 h ARG 21 Ca 0.25 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1ni7 h ARG 21 Cb 0.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ni7 h ARG 21 CO -0.02 0.13 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.54 1ni7 h ASN 22 N 0.00 0.00 0.42 -3.80 4.21 0.59 1.39 115.58 118.38 1ni7 h ASN 22 Ca -0.00 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.20 1ni7 h ASN 22 Cb 0.50 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1ni7 h ASN 22 CO 0.02 0.12 -1.56 0.74 -1.29 0.00 0.00 177.43 175.46 1ni7 h THR 23 N 0.00 1.12 0.00 2.81 2.02 -1.18 -3.34 112.91 114.34 1ni7 h THR 23 Ca -0.00 -2.76 -0.16 0.00 0.77 0.00 0.00 66.41 64.26 1ni7 h THR 23 Cb 0.49 2.76 -0.03 0.00 -1.74 0.00 0.00 68.15 69.63 1ni7 h THR 23 CO 0.02 0.82 -1.13 -0.26 0.37 0.00 0.00 175.52 175.34 1ni7 h PHE 24 N 0.07 0.00 -0.98 3.16 0.04 -1.28 -3.28 116.94 114.67 1ni7 h PHE 24 Ca -0.26 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.67 1ni7 h PHE 24 Cb 2.03 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 40.01 1ni7 h PHE 24 CO 0.07 0.64 -0.36 0.00 -0.60 0.00 0.00 178.31 178.05 1ni7 n ALA 25 N -2.35 -0.06 -0.02 2.45 0.00 0.47 -0.71 120.51 120.29 1ni7 n ALA 25 Ca -0.06 1.00 -0.16 0.00 0.00 0.00 0.00 53.44 54.22 1ni7 n ALA 25 Cb 0.84 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 0.29 -5.31 0.00 0.13 -1.76 -3.41 132.00 121.95 1ni7 h PRO 26 Ca 0.36 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1ni7 h PRO 26 Cb 0.61 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1ni7 h PRO 26 CO -0.98 0.97 0.13 1.28 -0.23 0.00 0.00 178.00 179.17 1ni7 n LEU 27 N -4.40 1.58 0.19 1.56 4.77 0.11 -4.66 117.00 116.14 1ni7 n LEU 27 Ca -0.09 -1.49 0.08 0.00 -0.03 0.00 0.00 56.01 54.48 1ni7 n LEU 27 Cb 0.55 -1.60 0.15 0.00 -2.33 0.00 0.00 43.42 40.20 1ni7 n LEU 27 CO 0.42 -2.62 0.67 0.00 -1.33 0.00 0.00 177.39 174.53 1ni7 h THR 28 N 7.61 0.43 -3.46 -5.08 1.03 -1.80 -3.43 112.91 108.20 1ni7 h THR 28 Ca 0.00 -1.54 -0.60 0.00 -0.01 0.00 0.00 66.41 64.27 1ni7 h THR 28 Cb 1.01 2.15 -0.09 0.00 -1.07 0.00 0.00 68.15 70.15 1ni7 h THR 28 CO 1.04 0.24 0.55 -1.10 -0.01 0.00 0.00 175.52 176.24 1ni7 s GLN 29 N -3.15 3.88 0.27 0.00 -0.21 -1.26 -4.91 119.66 114.27 1ni7 s GLN 29 Ca 0.05 0.60 -0.00 0.00 0.02 0.00 0.00 55.36 56.02 1ni7 s GLN 29 Cb 0.07 -3.78 0.61 0.00 1.00 0.00 0.00 33.01 30.91 1ni7 s GLN 29 CO 0.70 -0.87 1.68 2.35 -2.12 0.00 0.00 175.29 177.03 1ni7 h TRP 30 N 8.36 0.45 -1.30 0.91 2.91 -2.00 0.64 115.95 125.91 1ni7 h TRP 30 Ca -0.23 0.04 0.46 0.00 1.13 0.00 0.00 58.89 60.29 1ni7 h TRP 30 Cb 1.08 -0.07 -0.14 0.00 -0.51 0.00 0.00 29.16 29.52 1ni7 h TRP 30 CO 0.81 -0.09 0.82 1.49 -1.03 0.00 0.00 178.44 180.45 1ni7 h GLU 31 N 0.32 0.03 0.56 2.65 4.81 -1.96 0.69 114.58 121.68 1ni7 h GLU 31 Ca 0.50 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.70 1ni7 h GLU 31 Cb 0.92 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.30 1ni7 h GLU 31 CO -0.54 0.02 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.05 1ni7 h ASP 32 N 0.03 -0.64 -0.63 1.04 3.32 -0.07 0.71 116.42 120.18 1ni7 h ASP 32 Ca 0.86 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.95 1ni7 h ASP 32 Cb 2.67 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 42.28 1ni7 h ASP 32 CO -0.51 -0.31 -0.48 0.11 -1.72 0.00 0.00 179.24 176.33 1ni7 h LYS 33 N -0.99 -0.21 0.00 3.56 1.57 0.35 1.54 116.57 122.39 1ni7 h LYS 33 Ca -0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1ni7 h LYS 33 Cb 0.65 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1ni7 h LYS 33 CO 0.13 -0.14 -0.03 -0.92 -0.57 0.00 0.00 179.45 177.92 1ni7 h TYR 34 N -0.21 0.00 0.15 -1.35 3.20 -1.26 0.88 116.97 118.38 1ni7 h TYR 34 Ca 0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1ni7 h TYR 34 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1ni7 h TYR 34 CO -0.77 0.03 -0.07 0.00 -1.64 0.00 0.00 178.16 175.71 1ni7 h ARG 35 N 0.00 -0.20 -1.00 1.82 3.08 0.43 -3.25 114.38 115.26 1ni7 h ARG 35 Ca -0.00 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1ni7 h ARG 35 Cb 0.10 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 1ni7 h ARG 35 CO 0.00 -0.13 0.63 0.37 -1.07 0.00 0.00 179.97 179.77 1ni7 h GLN 36 N -0.72 0.98 -0.80 0.04 5.75 0.47 -1.45 115.11 119.38 1ni7 h GLN 36 Ca -0.02 -0.06 0.15 0.00 -0.15 0.00 0.00 58.65 58.57 1ni7 h GLN 36 Cb 0.16 -0.22 -0.15 0.00 1.07 0.00 0.00 27.48 28.34 1ni7 h GLN 36 CO 0.03 0.65 -0.23 -0.07 -2.65 0.00 0.00 178.83 176.56 1ni7 h LEU 37 N 1.01 -0.86 -1.12 -2.39 3.38 -0.94 1.71 115.31 116.12 1ni7 h LEU 37 Ca 0.48 0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.84 1ni7 h LEU 37 Cb 0.44 0.53 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1ni7 h LEU 37 CO -0.25 -0.27 0.61 0.40 0.09 0.00 0.00 178.44 179.01 1ni7 h ILE 38 N -0.02 0.87 -0.02 1.22 2.04 -1.30 0.14 117.51 120.43 1ni7 h ILE 38 Ca 0.37 -0.29 -0.16 0.00 1.00 0.00 0.00 64.86 65.77 1ni7 h ILE 38 Cb 0.59 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1ni7 h ILE 38 CO -0.83 0.16 -0.73 0.24 0.00 0.00 0.00 178.15 176.99 1ni7 h MET 39 N 0.86 0.16 -1.38 2.37 2.86 0.22 -3.06 114.93 116.95 1ni7 h MET 39 Ca 0.49 -0.14 0.40 0.00 -2.06 0.00 0.00 59.70 58.39 1ni7 h MET 39 Cb 0.62 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 1ni7 h MET 39 CO -0.25 0.81 0.99 1.25 1.06 0.00 0.00 176.91 180.77 1ni7 h LEU 40 N 0.10 0.01 0.10 1.22 6.46 0.35 0.86 115.31 124.41 1ni7 h LEU 40 Ca -0.02 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.51 1ni7 h LEU 40 Cb 1.28 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.24 1ni7 h LEU 40 CO 0.11 -0.00 -0.96 1.23 -0.62 0.00 0.00 178.44 178.20 1ni7 h GLY 41 N 0.01 0.53 -0.38 3.75 0.00 -1.50 -3.32 103.07 102.15 1ni7 h GLY 41 Ca 0.66 -1.12 0.10 0.00 0.00 0.00 0.00 47.33 46.96 1ni7 h GLY 41 CO -0.02 0.99 -0.34 0.50 0.00 0.00 0.00 176.54 177.67 1ni7 h LYS 42 N -0.03 -0.18 -0.90 4.80 1.57 0.64 0.39 116.57 122.86 1ni7 h LYS 42 Ca -0.15 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 58.90 1ni7 h LYS 42 Cb 1.69 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.89 1ni7 h LYS 42 CO 0.18 -0.12 0.25 1.96 -0.57 0.00 0.00 179.45 181.15 1ni7 h GLN 43 N -0.19 0.18 -6.59 3.15 4.20 -1.56 -3.40 115.11 110.90 1ni7 h GLN 43 Ca 0.21 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.35 1ni7 h GLN 43 Cb 0.55 -0.04 0.07 0.00 0.30 0.00 0.00 27.48 28.36 1ni7 h GLN 43 CO -0.65 0.12 0.80 -0.11 -0.67 0.00 0.00 178.83 178.32 1ni7 n LEU 44 N -5.25 3.44 -4.80 1.46 7.94 0.14 -4.94 117.00 114.98 1ni7 n LEU 44 Ca 0.23 1.10 -0.33 0.00 -1.11 0.00 0.00 56.01 55.90 1ni7 n LEU 44 Cb 0.74 -1.48 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 1ni7 n LEU 44 CO 0.05 -0.19 0.71 -2.16 -1.11 0.00 0.00 177.39 174.69 1ni7 s PRO 45 N 0.42 3.63 -0.54 1.96 0.04 -1.26 -4.91 135.00 134.35 1ni7 s PRO 45 Ca 0.73 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 1ni7 s PRO 45 Cb -0.62 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 1ni7 s PRO 45 CO 0.41 -0.56 2.30 0.00 0.04 0.00 0.00 177.00 179.20 1ni7 s ALA 46 N -2.20 1.65 0.06 8.56 0.00 -1.26 -4.87 121.76 123.70 1ni7 s ALA 46 Ca 0.65 -0.19 -0.34 0.00 0.00 0.00 0.00 51.96 52.09 1ni7 s ALA 46 Cb -0.16 -4.36 -0.13 0.00 0.00 0.00 0.00 23.12 18.47 1ni7 s ALA 46 CO 0.27 -4.49 1.71 -0.11 0.00 0.00 0.00 175.76 173.14 1ni7 n LEU 47 N 15.55 3.28 -4.82 0.00 7.94 -1.26 -4.94 117.00 132.74 1ni7 n LEU 47 Ca 0.35 1.04 -0.31 0.00 -1.11 0.00 0.00 56.01 55.97 1ni7 n LEU 47 Cb 0.53 -1.41 0.04 0.00 0.53 0.00 0.00 43.42 43.12 1ni7 n LEU 47 CO 0.70 -0.18 0.71 -2.16 -1.11 0.00 0.00 177.39 175.35 1ni7 s PRO 48 N 2.22 3.01 0.34 1.96 0.04 -1.26 -4.89 135.00 136.42 1ni7 s PRO 48 Ca 0.84 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.93 1ni7 s PRO 48 Cb -0.67 -2.00 0.61 0.00 0.04 0.00 0.00 34.50 32.47 1ni7 s PRO 48 CO 0.43 -1.04 1.85 0.22 0.04 0.00 0.00 177.00 178.50 1ni7 h ASP 49 N -0.52 0.41 -0.56 6.66 1.82 -1.98 -0.39 116.42 121.85 1ni7 h ASP 49 Ca -0.44 -0.09 0.06 0.00 -0.39 0.00 0.00 57.03 56.16 1ni7 h ASP 49 Cb 1.21 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 41.06 1ni7 h ASP 49 CO 0.57 0.55 0.28 -0.08 -1.61 0.00 0.00 179.24 178.95 1ni7 h GLU 50 N 0.40 0.50 -0.07 0.28 4.57 -2.00 0.76 114.58 119.04 1ni7 h GLU 50 Ca 0.08 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.02 1ni7 h GLU 50 Cb 0.43 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1ni7 h GLU 50 CO 0.02 0.33 -0.81 -0.07 -1.18 0.00 0.00 179.01 177.31 1ni7 h LEU 51 N 0.52 0.59 -1.24 1.64 -0.00 -1.84 -3.02 115.31 111.96 1ni7 h LEU 51 Ca 0.26 -0.41 0.09 0.00 -0.00 0.00 0.00 57.88 57.81 1ni7 h LEU 51 Cb 0.20 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 40.62 1ni7 h LEU 51 CO -0.20 1.18 0.56 0.50 -0.00 0.00 0.00 178.44 180.48 1ni7 h LYS 52 N 0.32 0.83 0.00 1.13 3.64 -0.11 0.55 116.57 122.93 1ni7 h LYS 52 Ca -0.05 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1ni7 h LYS 52 Cb 1.41 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1ni7 h LYS 52 CO 0.14 0.55 -0.20 0.00 -2.27 0.00 0.00 179.45 177.68 1ni7 h ALA 53 N 1.56 1.03 0.00 5.00 0.00 -0.77 -1.94 119.26 124.14 1ni7 h ALA 53 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ni7 h ALA 53 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ni7 h ALA 53 CO -0.16 0.25 -0.35 1.04 0.00 0.00 0.00 179.25 180.03 1ni7 n GLN 54 N -3.37 0.03 -2.83 0.00 3.00 0.17 -4.87 117.38 109.50 1ni7 n GLN 54 Ca 0.00 0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.80 1ni7 n GLN 54 Cb 0.41 -1.52 0.08 0.00 0.00 0.00 0.00 30.24 29.20 1ni7 n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ni7 n ALA 55 N -1.53 0.96 -2.71 -1.58 0.00 0.09 -4.73 120.51 111.00 1ni7 n ALA 55 Ca 0.06 -2.02 -0.31 0.00 0.00 0.00 0.00 53.44 51.17 1ni7 n ALA 55 Cb 0.35 0.50 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 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 -4.70 2.69 0.12 0.00 1.02 0.62 -4.87 119.74 114.61 1ni7 s LYS 56 Ca 0.61 -0.75 -0.26 0.00 0.02 0.00 0.00 55.97 55.59 1ni7 s LYS 56 Cb -0.04 -2.62 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 1ni7 s LYS 56 CO 0.39 0.57 0.80 -1.21 -0.92 0.00 0.00 175.35 174.98 1ni7 s GLU 57 N -2.16 4.57 -0.19 1.68 2.02 -1.26 -1.46 118.70 121.90 1ni7 s GLU 57 Ca 0.25 1.18 -0.03 0.00 0.02 0.00 0.00 54.97 56.39 1ni7 s GLU 57 Cb -0.12 -3.32 0.06 0.00 0.10 0.00 0.00 34.13 30.86 1ni7 s GLU 57 CO 0.17 0.41 0.04 0.42 0.02 0.00 0.00 175.26 176.33 1ni7 s ILE 58 N -0.58 0.45 -0.52 -1.63 1.01 0.55 -4.96 121.20 115.51 1ni7 s ILE 58 Ca 0.38 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1ni7 s ILE 58 Cb -0.22 -0.97 0.13 0.00 0.01 0.00 0.00 42.46 41.41 1ni7 s ILE 58 CO 0.26 -0.21 0.26 0.00 0.00 0.00 0.00 174.94 175.25 1ni7 s ALA 59 N 1.89 3.32 -0.03 9.38 0.00 -1.26 0.04 121.76 135.09 1ni7 s ALA 59 Ca -0.01 -3.29 0.01 0.00 0.00 0.00 0.00 51.96 48.68 1ni7 s ALA 59 Cb -0.17 -2.16 0.04 0.00 0.00 0.00 0.00 23.12 20.83 1ni7 s ALA 59 CO -0.08 -2.02 0.45 0.41 0.00 0.00 0.00 175.76 174.52 1ni7 n GLY 60 N 3.08 -0.24 0.77 0.00 0.00 -1.26 -5.08 105.19 102.46 1ni7 n GLY 60 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.19 0.00 0.00 5.08 -1.99 -3.43 114.58 114.42 1ni7 h GLU 62 Ca -0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ni7 h GLU 62 Cb 0.29 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ni7 h GLU 62 CO 0.08 0.12 0.32 0.09 -1.00 0.00 0.00 179.01 178.63 1ni7 n ASN 63 N -4.70 -1.86 -3.95 1.42 3.02 -1.26 -4.97 115.26 102.95 1ni7 n ASN 63 Ca 0.33 -2.21 -0.37 0.00 -0.03 0.00 0.00 54.58 52.29 1ni7 n ASN 63 Cb 1.23 3.08 0.00 0.00 -0.61 0.00 0.00 39.78 43.48 1ni7 n ASN 63 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ni7 n ARG 64 N -0.51 0.00 -3.73 3.52 1.74 -1.26 -4.69 116.66 111.73 1ni7 n ARG 64 Ca -0.06 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.88 1ni7 n ARG 64 Cb 0.51 -0.92 -0.14 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.68 -0.09 0.06 1.55 1.01 0.11 -3.74 120.40 117.62 1ni7 s VAL 65 Ca 0.54 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.81 1ni7 s VAL 65 Cb -0.53 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1ni7 s VAL 65 CO 0.59 0.08 -0.26 0.26 0.00 0.00 0.00 175.10 175.77 1ni7 s TRP 66 N 1.39 2.29 -0.21 5.22 0.51 -0.21 0.21 118.94 128.14 1ni7 s TRP 66 Ca -0.07 -0.41 -0.13 0.00 -2.12 0.00 0.00 56.10 53.37 1ni7 s TRP 66 Cb -0.11 -1.34 0.06 0.00 -0.81 0.00 0.00 33.47 31.27 1ni7 s TRP 66 CO -0.07 0.17 0.51 -1.17 -0.51 0.00 0.00 176.95 175.88 1ni7 s LEU 67 N -1.41 -0.30 -0.01 2.99 2.96 -0.54 -1.32 118.68 121.05 1ni7 s LEU 67 Ca 0.12 1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 55.11 1ni7 s LEU 67 Cb -0.10 1.72 0.00 0.00 0.50 0.00 0.00 46.19 48.32 1ni7 s LEU 67 CO 0.03 -0.20 0.03 -0.83 -1.32 0.00 0.00 176.35 174.06 1ni7 s GLY 68 N 1.23 -0.02 0.24 7.98 0.00 0.32 0.23 107.32 117.31 1ni7 s GLY 68 Ca -0.08 0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.62 1ni7 s GLY 68 CO -0.12 0.06 0.41 -2.52 0.00 0.00 0.00 173.10 170.93 1ni7 s TYR 69 N -0.02 0.58 -0.18 1.90 -0.85 -1.26 0.20 117.35 117.73 1ni7 s TYR 69 Ca -0.00 -0.90 -0.15 0.00 -0.52 0.00 0.00 57.07 55.50 1ni7 s TYR 69 Cb -0.00 0.02 0.05 0.00 0.38 0.00 0.00 41.96 42.40 1ni7 s TYR 69 CO 0.00 -0.93 0.46 0.95 -1.52 0.00 0.00 175.55 174.51 1ni7 s THR 70 N -3.97 -0.01 0.10 -3.49 -4.23 -1.24 -4.98 115.64 97.83 1ni7 s THR 70 Ca 0.26 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1ni7 s THR 70 Cb 0.01 -0.65 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 1ni7 s THR 70 CO 0.10 0.01 0.54 -0.69 -0.54 0.00 0.00 174.62 174.04 1ni7 s VAL 71 N 0.54 4.84 0.67 2.29 1.01 -1.26 -3.24 120.40 125.26 1ni7 s VAL 71 Ca -0.02 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.95 1ni7 s VAL 71 Cb -0.04 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1ni7 s VAL 71 CO -0.03 0.39 0.93 0.00 0.00 0.00 0.00 175.10 176.39 1ni7 s ALA 72 N -1.29 4.13 0.40 5.51 0.00 0.12 -4.93 121.76 125.70 1ni7 s ALA 72 Ca 0.33 -1.96 0.14 0.00 0.00 0.00 0.00 51.96 50.47 1ni7 s ALA 72 Cb -0.17 -1.76 0.87 0.00 0.00 0.00 0.00 23.12 22.07 1ni7 s ALA 72 CO 0.18 -1.27 1.91 0.93 0.00 0.00 0.00 175.76 177.51 1ni7 h GLU 73 N -0.28 0.00 -0.00 0.00 5.08 -1.98 -0.47 114.58 116.92 1ni7 h GLU 73 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ni7 h GLU 73 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ni7 h GLU 73 CO 0.39 0.28 -0.16 -1.71 -1.00 0.00 0.00 179.01 176.81 1ni7 n ASN 74 N -4.17 0.22 0.00 1.42 5.15 -1.26 -4.90 115.26 111.72 1ni7 n ASN 74 Ca -0.02 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1ni7 n ASN 74 Cb 0.33 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1ni7 n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ni7 n GLY 75 N 1.45 3.31 3.15 8.20 0.00 -0.19 -5.06 105.19 116.06 1ni7 n GLY 75 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.67 -0.32 -3.71 1.61 5.02 -1.26 -4.17 118.16 113.65 1ni7 n LYS 76 Ca 0.00 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.09 1ni7 n LYS 76 Cb 0.00 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.65 0.89 -0.18 1.97 -1.94 -0.96 0.14 119.30 116.58 1ni7 s MET 77 Ca 0.46 -0.52 -0.04 0.00 -1.71 0.00 0.00 55.69 53.88 1ni7 s MET 77 Cb -0.12 0.39 0.08 0.00 2.01 0.00 0.00 34.83 37.19 1ni7 s MET 77 CO 0.73 -0.31 0.17 -1.01 -0.01 0.00 0.00 175.02 174.59 1ni7 s HIS 78 N -2.82 -0.09 0.45 -0.03 3.76 -1.20 -3.69 115.29 111.67 1ni7 s HIS 78 Ca -0.03 0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.75 1ni7 s HIS 78 Cb 0.00 -0.48 -0.09 0.00 1.11 0.00 0.00 32.58 33.12 1ni7 s HIS 78 CO -0.05 -0.54 0.93 -0.06 -0.85 0.00 0.00 174.74 174.17 1ni7 s PHE 79 N 2.25 3.38 -0.30 1.40 0.40 -1.26 -3.60 117.98 120.25 1ni7 s PHE 79 Ca 0.05 1.48 -0.12 0.00 -0.60 0.00 0.00 56.93 57.73 1ni7 s PHE 79 Cb -0.15 -2.77 0.15 0.00 0.51 0.00 0.00 43.02 40.76 1ni7 s PHE 79 CO -0.10 -0.18 0.83 -0.59 0.70 0.00 0.00 175.22 175.87 1ni7 s PHE 80 N -2.34 -0.99 0.00 0.36 -0.12 0.54 -4.91 117.98 110.52 1ni7 s PHE 80 Ca 0.59 1.69 0.00 0.00 -0.05 0.00 0.00 56.93 59.16 1ni7 s PHE 80 Cb -0.10 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1ni7 s PHE 80 CO 0.21 -0.49 0.00 0.41 -0.05 0.00 0.00 175.22 175.30 1ni7 n GLY 81 N 5.20 4.36 3.64 1.99 0.00 -1.26 0.12 105.19 119.24 1ni7 n GLY 81 Ca -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 1.54 -0.07 0.23 1.61 -4.77 -0.43 -4.92 116.67 109.86 1ni7 s ASP 82 Ca 0.00 -0.17 -0.18 0.00 -3.30 0.00 0.00 52.55 48.90 1ni7 s ASP 82 Cb 0.00 0.20 0.02 0.00 -1.09 0.00 0.00 42.92 42.05 1ni7 s ASP 82 CO 0.00 -0.37 0.59 -0.55 0.70 0.00 0.00 175.17 175.54 1ni7 s SER 83 N -2.99 -0.26 -0.17 2.11 0.15 -1.26 -1.04 113.70 110.24 1ni7 s SER 83 Ca 0.14 -0.56 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 1ni7 s SER 83 Cb 0.04 0.64 -0.19 0.00 -1.71 0.00 0.00 66.02 64.80 1ni7 s SER 83 CO -0.03 -1.17 0.37 -0.08 1.20 0.00 0.00 173.24 173.54 1ni7 h GLU 84 N 2.12 0.00 -6.52 5.44 4.22 -1.88 -3.45 114.58 114.51 1ni7 h GLU 84 Ca -0.25 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.63 1ni7 h GLU 84 Cb 1.26 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.71 1ni7 h GLU 84 CO 0.32 0.84 -0.71 0.41 -2.18 0.00 0.00 179.01 177.69 1ni7 n GLY 85 N 1.54 -2.23 0.06 1.92 0.00 -1.26 -4.87 105.19 100.35 1ni7 n GLY 85 Ca -0.19 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.65 0.00 -0.44 1.61 -0.00 -1.93 -2.60 114.38 110.37 1ni7 h ARG 86 Ca -0.44 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.06 1ni7 h ARG 86 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.29 1ni7 h ARG 86 CO 0.38 0.07 0.30 0.97 0.00 0.00 0.00 179.97 181.68 1ni7 h ILE 87 N -1.00 1.07 0.04 2.04 -0.00 -1.89 -1.90 117.51 115.87 1ni7 h ILE 87 Ca -0.01 -0.18 -0.00 0.00 -0.00 0.00 0.00 64.86 64.66 1ni7 h ILE 87 Cb 0.27 0.49 0.00 0.00 -0.00 0.00 0.00 36.82 37.58 1ni7 h ILE 87 CO -0.01 0.10 -0.02 0.58 -0.00 0.00 0.00 178.15 178.80 1ni7 h VAL 88 N 0.54 1.20 -0.47 2.19 2.07 -1.95 -1.17 116.25 118.65 1ni7 h VAL 88 Ca 0.17 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1ni7 h VAL 88 Cb 0.04 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 1ni7 h VAL 88 CO -0.04 0.19 -0.40 -0.09 0.02 0.00 0.00 177.57 177.25 1ni7 h ARG 89 N -0.37 -0.26 -0.50 1.57 2.43 -0.95 0.24 114.38 116.54 1ni7 h ARG 89 Ca -0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1ni7 h ARG 89 Cb 0.35 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1ni7 h ARG 89 CO 0.01 -0.17 0.28 0.78 -1.51 0.00 0.00 179.97 179.36 1ni7 h GLY 90 N -0.27 0.70 -0.11 2.80 0.00 -1.42 -1.76 103.07 103.01 1ni7 h GLY 90 Ca 0.17 -0.21 0.18 0.00 0.00 0.00 0.00 47.33 47.47 1ni7 h GLY 90 CO -0.61 0.17 0.29 1.41 0.00 0.00 0.00 176.54 177.80 1ni7 h LEU 91 N 0.57 0.18 0.52 3.11 3.38 0.27 -0.01 115.31 123.33 1ni7 h LEU 91 Ca 0.20 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1ni7 h LEU 91 Cb 0.04 0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ni7 h LEU 91 CO -0.10 -0.00 -0.25 0.25 0.09 0.00 0.00 178.44 178.42 1ni7 h LEU 92 N 0.35 -0.59 -0.95 1.67 6.46 -0.22 -2.71 115.31 119.32 1ni7 h LEU 92 Ca 0.48 -0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.35 1ni7 h LEU 92 Cb 0.85 0.15 -0.13 0.00 -0.73 0.00 0.00 40.66 40.81 1ni7 h LEU 92 CO -0.51 -0.39 -0.49 0.00 -0.62 0.00 0.00 178.44 176.43 1ni7 n ALA 93 N -2.42 -0.43 -0.29 1.25 0.00 -0.10 0.21 120.51 118.73 1ni7 n ALA 93 Ca -0.12 0.86 0.11 0.00 0.00 0.00 0.00 53.44 54.29 1ni7 n ALA 93 Cb 0.30 -0.24 0.27 0.00 0.00 0.00 0.00 19.45 19.78 1ni7 n ALA 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ni7 h VAL 94 N 0.00 0.39 -0.26 0.00 2.07 -1.16 0.50 116.25 117.78 1ni7 h VAL 94 Ca 0.22 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1ni7 h VAL 94 Cb 0.45 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1ni7 h VAL 94 CO -0.91 0.05 0.05 0.25 0.02 0.00 0.00 177.57 177.03 1ni7 h LEU 95 N 0.26 0.01 -1.98 2.57 6.46 0.29 0.19 115.31 123.10 1ni7 h LEU 95 Ca 0.52 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.41 1ni7 h LEU 95 Cb 1.01 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1ni7 h LEU 95 CO -0.60 0.04 0.23 -0.07 -0.62 0.00 0.00 178.44 177.42 1ni7 h LEU 96 N 0.15 0.02 -0.27 2.25 -0.00 0.19 0.29 115.31 117.94 1ni7 h LEU 96 Ca 0.12 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.81 1ni7 h LEU 96 Cb 0.12 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 1ni7 h LEU 96 CO -0.16 0.02 -0.88 0.74 -0.00 0.00 0.00 178.44 178.16 1ni7 h THR 97 N 0.03 1.57 -0.00 0.22 2.02 0.11 -3.13 112.91 113.72 1ni7 h THR 97 Ca 0.15 -2.82 -0.17 0.00 0.77 0.00 0.00 66.41 64.34 1ni7 h THR 97 Cb 0.58 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1ni7 h THR 97 CO -0.01 0.81 -0.80 0.00 0.37 0.00 0.00 175.52 175.90 1ni7 h ALA 98 N 1.06 0.65 -0.60 6.16 0.00 0.22 -2.95 119.26 123.79 1ni7 h ALA 98 Ca -0.03 -0.70 -0.32 0.00 0.00 0.00 0.00 54.91 53.86 1ni7 h ALA 98 Cb 1.53 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 19.03 1ni7 h ALA 98 CO 0.12 0.93 0.41 1.33 0.00 0.00 0.00 179.25 182.04 1ni7 n VAL 99 N -3.65 2.37 -1.52 0.00 0.24 0.59 -4.80 118.33 111.56 1ni7 n VAL 99 Ca -0.02 -1.21 -0.14 0.00 -2.04 0.00 0.00 64.34 60.94 1ni7 n VAL 99 Cb 0.76 -0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.46 0.33 -4.10 7.34 0.28 -1.12 -2.60 120.64 120.31 1ni7 n GLU 100 Ca 0.36 -0.87 -0.33 0.00 -0.16 0.00 0.00 57.16 56.17 1ni7 n GLU 100 Cb 1.17 -3.17 -0.01 0.00 1.43 0.00 0.00 31.44 30.86 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 6.31 -0.42 3.95 -1.84 0.00 -1.25 -4.94 105.19 107.00 1ni7 n GLY 101 Ca 0.46 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 1ni7 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni7 s LYS 102 N -6.79 3.29 0.11 1.61 1.02 -1.07 -4.60 119.74 113.31 1ni7 s LYS 102 Ca 0.59 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.21 1ni7 s LYS 102 Cb -0.32 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1ni7 s LYS 102 CO 0.90 -0.05 0.12 0.95 -0.92 0.00 0.00 175.35 176.34 1ni7 s THR 103 N -2.43 4.61 0.20 2.17 -4.23 -1.26 -2.25 115.64 112.45 1ni7 s THR 103 Ca 0.44 -0.85 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 1ni7 s THR 103 Cb -0.10 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.60 1ni7 s THR 103 CO 0.37 0.03 1.55 0.00 -0.54 0.00 0.00 174.62 176.03 1ni7 h ALA 104 N 2.90 -0.08 -0.17 3.99 0.00 -1.93 0.11 119.26 124.08 1ni7 h ALA 104 Ca -0.47 0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ni7 h ALA 104 Cb 1.18 1.09 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 1ni7 h ALA 104 CO 0.66 -0.74 -0.18 0.00 0.00 0.00 0.00 179.25 178.99 1ni7 h ALA 105 N 1.05 -0.39 -0.84 0.00 0.00 -1.95 0.89 119.26 118.03 1ni7 h ALA 105 Ca 0.28 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.34 1ni7 h ALA 105 Cb 0.54 0.90 -0.15 0.00 0.00 0.00 0.00 17.79 19.09 1ni7 h ALA 105 CO -0.93 -0.49 -0.32 0.93 0.00 0.00 0.00 179.25 178.43 1ni7 h GLU 106 N -0.10 -0.05 -0.84 0.00 5.08 -1.40 1.10 114.58 118.38 1ni7 h GLU 106 Ca 0.03 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.59 1ni7 h GLU 106 Cb 0.18 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.32 1ni7 h GLU 106 CO -0.22 -0.03 0.28 -0.07 -1.00 0.00 0.00 179.01 177.97 1ni7 h LEU 107 N -0.05 0.14 -0.85 1.33 3.38 0.84 1.80 115.31 121.90 1ni7 h LEU 107 Ca 0.33 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.36 1ni7 h LEU 107 Cb 0.60 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ni7 h LEU 107 CO -0.87 -0.04 -0.49 1.56 0.09 0.00 0.00 178.44 178.68 1ni7 h GLN 108 N 0.32 0.00 0.00 1.13 4.20 0.33 -2.64 115.11 118.44 1ni7 h GLN 108 Ca 0.51 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.14 1ni7 h GLN 108 Cb 0.94 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1ni7 h GLN 108 CO -0.55 0.49 -0.38 0.00 -0.67 0.00 0.00 178.83 177.72 1ni7 h ALA 109 N 1.51 0.76 -2.74 3.87 0.00 0.58 -3.43 119.26 119.81 1ni7 h ALA 109 Ca -0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 1ni7 h ALA 109 Cb 0.99 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.38 1ni7 h ALA 109 CO 0.06 0.47 -0.56 -1.14 0.00 0.00 0.00 179.25 178.08 1ni7 s GLN 110 N -3.04 0.16 0.39 0.00 -0.44 0.52 -5.05 119.66 112.20 1ni7 s GLN 110 Ca 0.05 0.58 -0.26 0.00 -2.50 0.00 0.00 55.36 53.23 1ni7 s GLN 110 Cb 0.07 -0.38 -0.09 0.00 -1.64 0.00 0.00 33.01 30.98 1ni7 s GLN 110 CO 0.72 -0.40 1.17 -1.54 0.50 0.00 0.00 175.29 175.75 1ni7 s SER 111 N 2.39 6.59 0.41 6.67 1.04 -1.21 -4.24 113.70 125.35 1ni7 s SER 111 Ca 0.04 2.36 0.27 0.00 0.48 0.00 0.00 55.95 59.10 1ni7 s SER 111 Cb -0.13 -2.62 0.88 0.00 0.10 0.00 0.00 66.02 64.25 1ni7 s SER 111 CO -0.10 -0.63 1.78 1.55 0.98 0.00 0.00 173.24 176.83 1ni7 h PRO 112 N 2.76 0.00 0.00 4.02 0.13 -1.94 -2.93 132.00 134.05 1ni7 h PRO 112 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1ni7 h PRO 112 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ni7 h PRO 112 CO 0.63 0.00 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.21 1ni7 h LEU 113 N 0.00 0.00 -0.10 1.56 3.38 -1.99 -2.84 115.31 115.33 1ni7 h LEU 113 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ni7 h LEU 113 Cb 0.68 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1ni7 h LEU 113 CO 0.00 0.12 -0.54 0.00 0.09 0.00 0.00 178.44 178.11 1ni7 h ALA 114 N 1.88 -0.91 -0.76 1.53 0.00 -1.91 -0.32 119.26 118.78 1ni7 h ALA 114 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ni7 h ALA 114 Cb 0.22 0.99 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1ni7 h ALA 114 CO 0.01 -1.09 -0.45 -0.11 0.00 0.00 0.00 179.25 177.62 1ni7 n LEU 115 N -5.39 -0.80 -0.20 0.00 0.00 -1.07 0.20 117.00 109.74 1ni7 n LEU 115 Ca -0.06 1.53 -0.03 0.00 0.00 0.00 0.00 56.01 57.45 1ni7 n LEU 115 Cb 0.38 -0.26 0.04 0.00 0.00 0.00 0.00 43.42 43.57 1ni7 n LEU 115 CO 0.09 -1.19 0.69 -0.26 0.00 0.00 0.00 177.39 176.73 1ni7 h PHE 116 N 0.00 -0.58 -0.78 1.96 -1.00 -1.46 0.59 116.94 115.66 1ni7 h PHE 116 Ca 0.12 0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 1ni7 h PHE 116 Cb 0.31 0.35 -0.04 0.00 3.61 0.00 0.00 35.95 40.18 1ni7 h PHE 116 CO -0.95 -0.32 0.43 0.22 -1.61 0.00 0.00 178.31 176.08 1ni7 h ASP 117 N -0.08 0.97 -0.01 2.17 1.82 0.16 1.55 116.42 122.99 1ni7 h ASP 117 Ca 0.27 -0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1ni7 h ASP 117 Cb 0.50 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 1ni7 h ASP 117 CO -0.65 0.78 0.01 -0.33 -1.61 0.00 0.00 179.24 177.44 1ni7 h GLU 118 N 1.09 0.01 0.00 0.28 4.39 0.65 -2.41 114.58 118.60 1ni7 h GLU 118 Ca 0.28 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.88 1ni7 h GLU 118 Cb 0.03 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1ni7 h GLU 118 CO -0.04 0.06 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.34 1ni7 h LEU 119 N -0.04 0.00 -0.86 1.33 3.38 0.35 -3.47 115.31 115.99 1ni7 h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ni7 h LEU 119 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ni7 h LEU 119 CO -0.00 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1ni7 n GLY 120 N 0.56 0.92 0.08 0.83 0.00 0.50 -5.01 105.19 103.07 1ni7 n GLY 120 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ni7 h LEU 121 N 0.00 0.00 -0.46 0.99 3.38 -0.91 -3.37 115.31 114.93 1ni7 h LEU 121 Ca 0.00 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 1ni7 h LEU 121 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1ni7 h LEU 121 CO 0.00 0.99 -0.63 -0.09 0.09 0.00 0.00 178.44 178.79 1ni7 h ARG 122 N -1.00 0.00 -1.20 1.13 2.43 -1.94 -3.18 114.38 110.61 1ni7 h ARG 122 Ca -0.10 0.00 0.40 0.00 -0.81 0.00 0.00 59.98 59.47 1ni7 h ARG 122 Cb 0.77 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.19 1ni7 h ARG 122 CO -0.06 0.63 0.75 0.00 -1.51 0.00 0.00 179.97 179.78 1ni7 h ALA 123 N 1.37 2.49 0.16 2.80 0.00 -1.82 1.28 119.26 125.54 1ni7 h ALA 123 Ca -0.01 0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 1ni7 h ALA 123 Cb 1.28 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1ni7 h ALA 123 CO 0.08 -1.13 -1.52 1.96 0.00 0.00 0.00 179.25 178.65 1ni7 h GLN 124 N 0.13 0.35 -6.34 0.00 1.08 -1.73 -3.46 115.11 105.14 1ni7 h GLN 124 Ca 0.79 -0.59 -0.65 0.00 -1.45 0.00 0.00 58.65 56.75 1ni7 h GLN 124 Cb 2.30 0.22 0.07 0.00 -0.05 0.00 0.00 27.48 30.03 1ni7 h GLN 124 CO -0.49 1.24 0.35 1.28 -0.95 0.00 0.00 178.83 180.26 1ni7 n LEU 125 N -3.55 1.70 -4.45 1.46 4.77 0.44 -4.92 117.00 112.45 1ni7 n LEU 125 Ca -0.17 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.66 1ni7 n LEU 125 Cb 1.06 -1.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.18 1ni7 n LEU 125 CO 0.53 -1.16 0.50 -0.44 -1.33 0.00 0.00 177.39 175.49 1ni7 s SER 126 N 0.16 0.37 0.01 -1.43 0.01 -1.26 -4.71 113.70 106.85 1ni7 s SER 126 Ca 0.76 1.15 -0.25 0.00 1.31 0.00 0.00 55.95 58.92 1ni7 s SER 126 Cb -0.86 -1.74 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 1ni7 s SER 126 CO 0.50 -4.52 1.40 0.00 0.41 0.00 0.00 173.24 171.03 1ni7 h ALA 127 N -2.85 -0.04 -0.13 1.44 0.00 -1.95 -0.14 119.26 115.60 1ni7 h ALA 127 Ca -0.54 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.24 1ni7 h ALA 127 Cb 1.33 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1ni7 h ALA 127 CO 0.43 -0.35 -0.48 1.03 0.00 0.00 0.00 179.25 179.88 1ni7 h SER 128 N -0.37 -1.50 -0.53 0.00 0.87 -2.01 -0.73 113.55 109.29 1ni7 h SER 128 Ca -0.00 0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1ni7 h SER 128 Cb 0.35 0.60 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 1ni7 h SER 128 CO 0.01 -0.46 0.22 0.03 -0.53 0.00 0.00 176.83 176.10 1ni7 h ARG 129 N -0.54 0.41 -1.06 2.24 -0.00 -1.92 -0.18 114.38 113.34 1ni7 h ARG 129 Ca 0.06 -0.02 0.28 0.00 -0.50 0.00 0.00 59.98 59.79 1ni7 h ARG 129 Cb 0.66 -0.09 -0.09 0.00 0.00 0.00 0.00 29.97 30.44 1ni7 h ARG 129 CO -0.42 0.27 0.68 0.66 0.00 0.00 0.00 179.97 181.17 1ni7 h SER 130 N 0.43 0.41 -0.31 7.04 4.64 0.24 1.15 113.55 127.15 1ni7 h SER 130 Ca 0.25 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.74 1ni7 h SER 130 Cb 0.23 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1ni7 h SER 130 CO -0.22 0.07 0.24 -0.61 -0.87 0.00 0.00 176.83 175.44 1ni7 h GLN 131 N 0.36 0.00 0.57 4.77 4.15 0.36 -2.35 115.11 122.96 1ni7 h GLN 131 Ca 0.60 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.99 1ni7 h GLN 131 Cb 1.59 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.29 1ni7 h GLN 131 CO -0.28 0.00 -0.27 0.78 -1.93 0.00 0.00 178.83 177.12 1ni7 h GLY 132 N 0.00 -0.80 -0.44 2.39 0.00 0.13 -2.99 103.07 101.36 1ni7 h GLY 132 Ca 0.15 0.29 0.19 0.00 0.00 0.00 0.00 47.33 47.96 1ni7 h GLY 132 CO -0.00 -0.29 0.02 -2.00 0.00 0.00 0.00 176.54 174.27 1ni7 h LEU 133 N -1.14 -0.35 -1.01 3.11 6.46 -1.41 1.18 115.31 122.15 1ni7 h LEU 133 Ca -0.08 0.21 0.23 0.00 -0.12 0.00 0.00 57.88 58.12 1ni7 h LEU 133 Cb 0.62 0.36 -0.12 0.00 -0.73 0.00 0.00 40.66 40.79 1ni7 h LEU 133 CO 0.13 -0.20 0.60 0.78 -0.62 0.00 0.00 178.44 179.13 1ni7 h ASN 134 N 0.10 0.71 -0.27 1.25 2.35 -1.43 1.21 115.58 119.50 1ni7 h ASN 134 Ca 0.44 0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 56.26 1ni7 h ASN 134 Cb 0.80 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1ni7 h ASN 134 CO -0.70 0.15 -0.02 0.00 -1.65 0.00 0.00 177.43 175.22 1ni7 h ALA 135 N 1.71 1.27 -0.16 -0.83 0.00 0.16 -0.67 119.26 120.73 1ni7 h ALA 135 Ca 0.63 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 55.12 1ni7 h ALA 135 Cb 1.14 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ni7 h ALA 135 CO -0.45 0.49 -0.62 -0.07 0.00 0.00 0.00 179.25 178.61 1ni7 h LEU 136 N 0.57 0.82 0.27 0.00 3.38 0.19 -2.70 115.31 117.85 1ni7 h LEU 136 Ca 0.12 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1ni7 h LEU 136 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ni7 h LEU 136 CO 0.02 1.29 -0.24 -1.28 0.09 0.00 0.00 178.44 178.32 1ni7 h SER 137 N 0.40 -0.62 -0.30 -0.43 0.87 0.59 -1.00 113.55 113.06 1ni7 h SER 137 Ca -0.03 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1ni7 h SER 137 Cb 1.25 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 1ni7 h SER 137 CO 0.13 -0.35 0.26 1.05 -0.53 0.00 0.00 176.83 177.38 1ni7 h GLU 138 N -0.53 0.00 -0.78 2.24 4.11 -1.18 0.16 114.58 118.61 1ni7 h GLU 138 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.46 1ni7 h GLU 138 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1ni7 h GLU 138 CO -0.03 0.00 0.51 0.00 0.07 0.00 0.00 179.01 179.56 1ni7 h ALA 139 N 1.76 1.58 -0.02 1.06 0.00 -0.83 0.18 119.26 123.01 1ni7 h ALA 139 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ni7 h ALA 139 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ni7 h ALA 139 CO -0.00 0.32 -0.20 0.82 0.00 0.00 0.00 179.25 180.19 1ni7 h ILE 140 N 0.90 1.52 -0.47 0.00 2.04 -0.55 -2.37 117.51 118.58 1ni7 h ILE 140 Ca 0.32 -1.81 0.09 0.00 1.00 0.00 0.00 64.86 64.46 1ni7 h ILE 140 Cb 0.13 2.64 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 1ni7 h ILE 140 CO -0.10 0.50 -0.08 0.40 0.00 0.00 0.00 178.15 178.87 1ni7 h ILE 141 N -0.48 0.56 -0.20 -0.67 1.08 -0.98 1.58 117.51 118.40 1ni7 h ILE 141 Ca -0.02 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1ni7 h ILE 141 Cb 0.92 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1ni7 h ILE 141 CO 0.04 0.01 0.05 0.00 -0.69 0.00 0.00 178.15 177.56 1ni7 h ALA 142 N 1.45 1.71 -0.07 1.87 0.00 -0.71 0.54 119.26 124.06 1ni7 h ALA 142 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ni7 h ALA 142 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ni7 h ALA 142 CO -0.46 0.23 -0.35 0.00 0.00 0.00 0.00 179.25 178.67 1ni7 h ALA 143 N 1.78 0.14 -0.43 0.00 0.00 0.49 -3.10 119.26 118.13 1ni7 h ALA 143 Ca 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ni7 h ALA 143 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ni7 h ALA 143 CO -0.00 0.22 0.14 1.79 0.00 0.00 0.00 179.25 181.39 1ni7 h THR 144 N -0.13 1.22 -0.97 0.00 1.35 0.27 -2.51 112.91 112.14 1ni7 h THR 144 Ca -0.02 -0.72 0.24 0.00 -0.55 0.00 0.00 66.41 65.35 1ni7 h THR 144 Cb 1.01 0.88 -0.12 0.00 -1.73 0.00 0.00 68.15 68.18 1ni7 h THR 144 CO 0.07 0.26 0.54 0.11 -0.25 0.00 0.00 175.52 176.25 1ni7 h LYS 145 N 0.55 0.51 -0.95 4.72 1.79 0.02 0.71 116.57 123.92 1ni7 h LYS 145 Ca 0.14 -0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.71 1ni7 h LYS 145 Cb 0.26 -0.12 -0.09 0.00 -1.58 0.00 0.00 32.23 30.71 1ni7 h LYS 145 CO -0.00 0.34 0.57 0.37 -1.08 0.00 0.00 179.45 179.65 1ni7 h GLN 146 N 0.53 0.84 -0.01 3.15 -0.00 -1.37 0.46 115.11 118.71 1ni7 h GLN 146 Ca 0.62 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 59.21 1ni7 h GLN 146 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.48 1ni7 h GLN 146 CO -0.49 0.55 -0.05 0.28 0.00 0.00 0.00 178.83 179.12 1ni7 h VAL 147 N 0.86 1.53 -0.79 2.39 2.07 0.28 -3.20 116.25 119.38 1ni7 h VAL 147 Ca 0.50 -1.63 0.16 0.00 0.82 0.00 0.00 66.70 66.55 1ni7 h VAL 147 Cb 0.58 2.60 -0.10 0.00 -1.52 0.00 0.00 31.29 32.85 1ni7 h VAL 147 CO -0.30 0.43 0.33 -0.07 0.02 0.00 0.00 177.57 177.97 1ni7 h LEU 148 N -0.61 0.31 0.00 2.57 3.38 -0.07 -3.52 115.31 117.36 1ni7 h LEU 148 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ni7 h LEU 148 Cb 0.73 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ni7 h LEU 148 CO 0.01 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.01