#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 0.00-12.62 -3.44 2.03 -1.04 -1.26 -5.08 114.28 92.87 1ni7 n THR 2 Ca 0.00 2.86 0.01 0.00 -2.04 0.00 0.00 64.05 64.88 1ni7 n THR 2 Cb 0.00 -6.13 -0.05 0.00 -1.82 0.00 0.00 70.33 62.33 1ni7 n THR 2 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ni7 s ASN 3 N -0.60 -0.45 0.50 8.00 2.20 -1.26 -5.16 114.94 118.17 1ni7 s ASN 3 Ca -0.14 0.64 -0.20 0.00 -0.94 0.00 0.00 52.86 52.22 1ni7 s ASN 3 Cb 0.01 1.42 -0.08 0.00 -2.00 0.00 0.00 41.25 40.60 1ni7 s ASN 3 CO 0.38 -0.09 1.04 -2.16 -2.94 0.00 0.00 177.10 173.33 1ni7 s PRO 4 N 2.03 3.76 -0.12 3.55 0.04 -1.26 -5.06 135.00 137.93 1ni7 s PRO 4 Ca -0.04 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.28 1ni7 s PRO 4 Cb -0.04 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ni7 s PRO 4 CO -0.16 -0.47 0.27 -0.65 0.04 0.00 0.00 177.00 176.03 1ni7 s GLN 5 N -3.33 0.22 0.37 4.56 -0.21 -1.26 -5.16 119.66 114.85 1ni7 s GLN 5 Ca 0.67 0.61 -0.13 0.00 0.02 0.00 0.00 55.36 56.53 1ni7 s GLN 5 Cb -0.16 -0.09 0.04 0.00 1.00 0.00 0.00 33.01 33.80 1ni7 s GLN 5 CO 0.22 -0.19 0.72 0.12 -2.12 0.00 0.00 175.29 174.04 1ni7 s PHE 6 N 1.50 0.34 0.11 0.91 5.36 -1.26 -5.04 117.98 119.89 1ni7 s PHE 6 Ca -0.07 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.00 1ni7 s PHE 6 Cb -0.10 0.62 -0.21 0.00 -0.34 0.00 0.00 43.02 42.98 1ni7 s PHE 6 CO -0.09 -1.47 1.23 0.00 -1.46 0.00 0.00 175.22 173.43 1ni7 h ALA 7 N 2.02 0.25 0.00 11.12 0.00 -2.00 -3.48 119.26 127.18 1ni7 h ALA 7 Ca -0.31 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1ni7 h ALA 7 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ni7 h ALA 7 CO 0.40 1.06 0.00 0.41 0.00 0.00 0.00 179.25 181.12 1ni7 n GLY 8 N 1.36 3.10 3.05 0.00 0.00 -1.26 -4.73 105.19 106.72 1ni7 n GLY 8 Ca -0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -2.58 0.08 1.61 1.44 -1.26 -4.90 115.22 109.62 1ni7 n HIS 9 Ca 0.00 1.09 -0.08 0.00 -2.01 0.00 0.00 57.72 56.72 1ni7 n HIS 9 Cb 0.00 -2.77 0.02 0.00 0.12 0.00 0.00 29.99 27.36 1ni7 n HIS 9 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1ni7 h PRO 10 N 2.73 0.23 -6.29 -1.40 0.13 -1.95 -3.45 132.00 122.01 1ni7 h PRO 10 Ca -0.13 -0.22 -0.62 0.00 -0.87 0.00 0.00 66.00 64.16 1ni7 h PRO 10 Cb 0.81 0.06 0.02 0.00 0.13 0.00 0.00 31.00 32.02 1ni7 h PRO 10 CO 0.13 0.92 1.07 1.97 -0.23 0.00 0.00 178.00 181.85 1ni7 n PHE 11 N -3.72 2.31 0.00 1.56 1.16 -1.26 -0.27 117.46 117.25 1ni7 n PHE 11 Ca -0.03 0.04 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ni7 n PHE 11 Cb 0.76 -2.65 0.00 0.00 -1.61 0.00 0.00 39.48 35.98 1ni7 n PHE 11 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ni7 n GLY 12 N 4.32 3.53 0.15 4.97 0.00 0.15 -4.67 105.19 113.63 1ni7 n GLY 12 Ca 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.19 2.61 -1.04 -0.88 -4.34 114.28 110.82 1ni7 n THR 13 Ca 0.00 0.11 0.03 0.00 -2.04 0.00 0.00 64.05 62.15 1ni7 n THR 13 Cb 0.00 -0.98 0.39 0.00 -1.82 0.00 0.00 70.33 67.92 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 1.23 -2.37 12.58 2.02 -1.70 -3.26 112.91 121.40 1ni7 h THR 14 Ca 0.00 -1.07 -0.60 0.00 0.77 0.00 0.00 66.41 65.51 1ni7 h THR 14 Cb 0.00 1.56 -0.42 0.00 -1.74 0.00 0.00 68.15 67.55 1ni7 h THR 14 CO 0.00 0.31 -0.65 0.52 0.37 0.00 0.00 175.52 176.07 1ni7 n VAL 15 N -4.17 1.80 -3.09 3.16 0.31 0.63 -4.92 118.33 112.05 1ni7 n VAL 15 Ca -0.02 -4.97 -0.29 0.00 -0.01 0.00 0.00 64.34 59.05 1ni7 n VAL 15 Cb 0.35 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 1ni7 n VAL 15 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ni7 s THR 16 N -2.06 4.93 0.52 2.52 2.01 -1.23 -0.68 115.64 121.65 1ni7 s THR 16 Ca 0.36 0.24 0.37 0.00 0.31 0.00 0.00 61.69 62.97 1ni7 s THR 16 Cb 0.11 -3.75 0.57 0.00 0.01 0.00 0.00 72.50 69.43 1ni7 s THR 16 CO -0.06 -0.46 1.73 0.00 -0.69 0.00 0.00 174.62 175.14 1ni7 h ALA 17 N 1.32 3.13 0.34 7.40 0.00 -1.88 0.65 119.26 130.22 1ni7 h ALA 17 Ca -0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1ni7 h ALA 17 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ni7 h ALA 17 CO 0.64 -1.56 -0.16 1.49 0.00 0.00 0.00 179.25 179.66 1ni7 h GLU 18 N 0.06 -0.44 -1.06 0.00 4.81 -1.97 -2.41 114.58 113.56 1ni7 h GLU 18 Ca 0.68 0.03 0.37 0.00 -0.13 0.00 0.00 59.36 60.30 1ni7 h GLU 18 Cb 2.53 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 31.86 1ni7 h GLU 18 CO -0.09 -0.29 0.62 1.15 -0.73 0.00 0.00 179.01 179.67 1ni7 h THR 19 N -1.00 0.19 -0.02 0.32 2.02 -1.30 1.64 112.91 114.76 1ni7 h THR 19 Ca -0.05 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1ni7 h THR 19 Cb 0.35 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1ni7 h THR 19 CO 0.08 0.04 0.00 -0.07 0.37 0.00 0.00 175.52 175.93 1ni7 h LEU 20 N 0.20 0.04 -1.33 2.58 3.38 -1.16 -2.28 115.31 116.74 1ni7 h LEU 20 Ca 0.78 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1ni7 h LEU 20 Cb 2.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1ni7 h LEU 20 CO -0.60 0.30 0.00 0.08 0.09 0.00 0.00 178.44 178.31 1ni7 h ARG 21 N -0.22 0.00 -0.10 1.13 0.11 0.11 -1.88 114.38 113.53 1ni7 h ARG 21 Ca 0.01 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.95 1ni7 h ARG 21 Cb 0.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1ni7 h ARG 21 CO 0.00 0.00 -0.54 -0.97 0.10 0.00 0.00 179.97 178.56 1ni7 h ASN 22 N 0.00 0.31 0.61 0.08 -0.73 0.25 1.38 115.58 117.48 1ni7 h ASN 22 Ca 0.00 -0.16 -0.28 0.00 1.87 0.00 0.00 56.30 57.73 1ni7 h ASN 22 Cb 0.50 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1ni7 h ASN 22 CO 0.00 0.79 -1.41 0.74 -0.37 0.00 0.00 177.43 177.18 1ni7 h THR 23 N 0.22 1.26 0.00 -3.57 2.02 -0.88 -3.31 112.91 108.64 1ni7 h THR 23 Ca 0.00 -2.96 -0.03 0.00 0.77 0.00 0.00 66.41 64.20 1ni7 h THR 23 Cb 1.02 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 1ni7 h THR 23 CO 0.09 0.80 -0.70 -0.26 0.37 0.00 0.00 175.52 175.81 1ni7 h PHE 24 N 0.04 0.00 -1.00 3.16 0.04 -1.26 -3.31 116.94 114.60 1ni7 h PHE 24 Ca -0.18 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.73 1ni7 h PHE 24 Cb 1.95 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.95 1ni7 h PHE 24 CO 0.03 0.12 -0.43 0.00 -0.60 0.00 0.00 178.31 177.44 1ni7 n ALA 25 N -2.19 -0.22 -0.02 2.45 0.00 0.47 -0.93 120.51 120.07 1ni7 n ALA 25 Ca 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 53.44 54.25 1ni7 n ALA 25 Cb 0.60 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 0.34 -5.46 0.00 0.13 -1.78 -3.40 132.00 121.82 1ni7 h PRO 26 Ca 0.31 -0.33 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 1ni7 h PRO 26 Cb 0.56 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1ni7 h PRO 26 CO -0.98 1.00 0.34 -0.51 -0.23 0.00 0.00 178.00 177.62 1ni7 s LEU 27 N -8.50 2.98 0.19 1.56 1.43 -0.11 -4.66 118.68 111.57 1ni7 s LEU 27 Ca -0.14 0.00 0.22 0.00 -1.03 0.00 0.00 54.13 53.18 1ni7 s LEU 27 Cb 0.03 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 1ni7 s LEU 27 CO 0.79 -3.54 1.02 0.74 0.23 0.00 0.00 176.35 175.59 1ni7 h THR 28 N 7.59 0.08 -3.28 5.49 2.02 -1.80 -3.44 112.91 119.57 1ni7 h THR 28 Ca -0.01 -1.16 -0.58 0.00 0.77 0.00 0.00 66.41 65.44 1ni7 h THR 28 Cb 1.03 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.96 1ni7 h THR 28 CO 1.06 0.04 0.45 -1.10 0.37 0.00 0.00 175.52 176.35 1ni7 s GLN 29 N -3.29 4.29 0.38 6.66 1.11 -1.26 -4.91 119.66 122.64 1ni7 s GLN 29 Ca -0.01 1.07 0.15 0.00 0.01 0.00 0.00 55.36 56.58 1ni7 s GLN 29 Cb 0.09 -3.59 1.01 0.00 -1.01 0.00 0.00 33.01 29.52 1ni7 s GLN 29 CO 0.79 -0.38 1.81 2.35 0.01 0.00 0.00 175.29 179.87 1ni7 h TRP 30 N 7.37 0.70 -1.02 0.91 7.01 -1.94 0.71 115.95 129.69 1ni7 h TRP 30 Ca -0.28 0.02 0.27 0.00 2.11 0.00 0.00 58.89 61.01 1ni7 h TRP 30 Cb 1.12 -0.21 -0.07 0.00 -2.10 0.00 0.00 29.16 27.90 1ni7 h TRP 30 CO 0.72 0.14 0.68 0.93 -2.79 0.00 0.00 178.44 178.12 1ni7 h GLU 31 N 0.48 0.28 0.10 2.65 3.07 -1.98 0.59 114.58 119.77 1ni7 h GLU 31 Ca 0.54 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1ni7 h GLU 31 Cb 1.24 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1ni7 h GLU 31 CO -0.27 0.19 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.05 1ni7 h ASP 32 N 0.29 -0.11 0.01 1.42 3.32 0.06 -2.53 116.42 118.88 1ni7 h ASP 32 Ca 0.55 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 57.26 1ni7 h ASP 32 Cb 1.58 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 41.12 1ni7 h ASP 32 CO -0.20 0.52 -0.39 0.11 -1.72 0.00 0.00 179.24 177.57 1ni7 h LYS 33 N -0.97 -0.47 -1.01 3.56 1.57 -0.86 1.49 116.57 119.89 1ni7 h LYS 33 Ca -0.01 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.07 1ni7 h LYS 33 Cb 0.45 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.80 1ni7 h LYS 33 CO 0.02 -0.31 0.68 -0.92 -0.57 0.00 0.00 179.45 178.35 1ni7 h TYR 34 N -0.49 0.38 0.25 -1.35 5.03 -0.04 0.57 116.97 121.33 1ni7 h TYR 34 Ca 0.01 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1ni7 h TYR 34 Cb 0.52 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.69 1ni7 h TYR 34 CO -0.47 0.06 -0.12 0.00 -1.32 0.00 0.00 178.16 176.31 1ni7 h ARG 35 N 0.25 -0.33 0.00 1.82 3.08 -0.39 -3.20 114.38 115.62 1ni7 h ARG 35 Ca 0.53 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1ni7 h ARG 35 Cb 1.62 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1ni7 h ARG 35 CO -0.16 -0.22 0.21 0.37 -1.07 0.00 0.00 179.97 179.10 1ni7 h GLN 36 N -0.96 0.00 -0.06 0.04 -0.00 0.27 -0.05 115.11 114.35 1ni7 h GLN 36 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1ni7 h GLN 36 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 1ni7 h GLN 36 CO 0.06 0.00 0.02 -0.07 0.00 0.00 0.00 178.83 178.84 1ni7 h LEU 37 N 0.00 0.09 -1.76 -2.39 3.38 0.13 -0.79 115.31 113.97 1ni7 h LEU 37 Ca 0.00 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.00 1ni7 h LEU 37 Cb 0.42 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1ni7 h LEU 37 CO 0.00 0.22 0.54 0.40 0.09 0.00 0.00 178.44 179.69 1ni7 h ILE 38 N -0.06 0.69 -0.11 1.22 2.04 -1.03 0.21 117.51 120.46 1ni7 h ILE 38 Ca 0.02 -0.07 -0.23 0.00 1.00 0.00 0.00 64.86 65.58 1ni7 h ILE 38 Cb 0.16 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1ni7 h ILE 38 CO -0.00 0.04 -0.82 -0.03 0.00 0.00 0.00 178.15 177.33 1ni7 h MET 39 N 0.21 0.71 -1.13 2.37 1.85 -1.38 -3.03 114.93 114.54 1ni7 h MET 39 Ca 0.38 -0.62 0.33 0.00 -0.61 0.00 0.00 59.70 59.18 1ni7 h MET 39 Cb 1.19 0.14 -0.05 0.00 0.43 0.00 0.00 31.60 33.31 1ni7 h MET 39 CO -0.08 1.22 0.92 1.25 -0.40 0.00 0.00 176.91 179.82 1ni7 h LEU 40 N 0.47 0.00 0.19 3.39 7.12 0.84 0.92 115.31 128.25 1ni7 h LEU 40 Ca -0.06 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.61 1ni7 h LEU 40 Cb 1.45 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.59 1ni7 h LEU 40 CO 0.16 0.00 -1.66 1.23 -0.13 0.00 0.00 178.44 178.04 1ni7 h GLY 41 N 0.00 0.46 0.31 3.75 0.00 -1.45 -3.30 103.07 102.84 1ni7 h GLY 41 Ca 0.54 -1.17 0.14 0.00 0.00 0.00 0.00 47.33 46.83 1ni7 h GLY 41 CO -0.01 1.02 0.50 0.50 0.00 0.00 0.00 176.54 178.56 1ni7 h LYS 42 N 0.11 0.72 -0.02 4.80 1.57 0.90 -0.92 116.57 123.72 1ni7 h LYS 42 Ca -0.31 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1ni7 h LYS 42 Cb 2.10 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.23 1ni7 h LYS 42 CO 0.20 0.47 -0.07 1.96 -0.57 0.00 0.00 179.45 181.44 1ni7 h GLN 43 N 0.74 -0.11 -6.66 3.15 4.20 -1.38 -3.42 115.11 111.62 1ni7 h GLN 43 Ca 0.47 0.01 -0.58 0.00 0.06 0.00 0.00 58.65 58.61 1ni7 h GLN 43 Cb 0.60 0.03 0.11 0.00 0.30 0.00 0.00 27.48 28.52 1ni7 h GLN 43 CO -0.33 -0.07 0.39 -0.11 -0.67 0.00 0.00 178.83 178.04 1ni7 n LEU 44 N -5.19 3.02 -4.82 1.46 7.94 -0.35 -4.95 117.00 114.11 1ni7 n LEU 44 Ca -0.05 1.20 -0.31 0.00 -1.11 0.00 0.00 56.01 55.73 1ni7 n LEU 44 Cb 0.12 -1.42 0.04 0.00 0.53 0.00 0.00 43.42 42.69 1ni7 n LEU 44 CO 0.29 -0.76 0.71 -2.16 -1.11 0.00 0.00 177.39 174.36 1ni7 s PRO 45 N -1.78 3.01 -0.21 1.96 0.04 -1.26 -4.96 135.00 131.80 1ni7 s PRO 45 Ca 0.56 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1ni7 s PRO 45 Cb -0.61 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1ni7 s PRO 45 CO 0.62 -1.04 1.61 0.00 0.04 0.00 0.00 177.00 178.22 1ni7 s ALA 46 N -2.96 3.30 -0.31 8.56 0.00 -1.26 -4.94 121.76 124.15 1ni7 s ALA 46 Ca 0.59 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1ni7 s ALA 46 Cb -0.14 -3.84 -0.00 0.00 0.00 0.00 0.00 23.12 19.13 1ni7 s ALA 46 CO 0.52 -1.91 1.38 -1.17 0.00 0.00 0.00 175.76 174.58 1ni7 s LEU 47 N 5.12 3.83 0.92 0.00 2.96 -1.26 -5.00 118.68 125.24 1ni7 s LEU 47 Ca 0.71 1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 55.71 1ni7 s LEU 47 Cb -0.25 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.04 1ni7 s LEU 47 CO 0.29 -1.18 1.14 -2.16 -1.32 0.00 0.00 176.35 173.12 1ni7 s PRO 48 N 4.41 1.09 0.05 0.98 0.04 -1.26 -4.85 135.00 135.46 1ni7 s PRO 48 Ca 0.60 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 1ni7 s PRO 48 Cb -0.18 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 1ni7 s PRO 48 CO 0.26 -2.23 1.52 0.22 0.04 0.00 0.00 177.00 176.81 1ni7 h ASP 49 N -1.52 -0.25 -0.98 6.66 3.58 -1.98 -0.24 116.42 121.69 1ni7 h ASP 49 Ca -0.50 -0.11 0.33 0.00 0.42 0.00 0.00 57.03 57.17 1ni7 h ASP 49 Cb 1.33 0.06 -0.16 0.00 1.72 0.00 0.00 39.33 42.29 1ni7 h ASP 49 CO 0.61 -0.04 0.49 1.05 -2.88 0.00 0.00 179.24 178.47 1ni7 h GLU 50 N -0.45 0.23 -0.11 0.28 9.09 -2.00 1.29 114.58 122.91 1ni7 h GLU 50 Ca -0.03 -0.01 -0.22 0.00 0.05 0.00 0.00 59.36 59.14 1ni7 h GLU 50 Cb 0.34 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1ni7 h GLU 50 CO 0.05 0.15 -0.82 -0.07 0.05 0.00 0.00 179.01 178.37 1ni7 h LEU 51 N 0.23 0.83 -1.46 3.06 -0.00 -1.84 -3.01 115.31 113.12 1ni7 h LEU 51 Ca 0.73 -0.57 0.14 0.00 -0.00 0.00 0.00 57.88 58.18 1ni7 h LEU 51 Cb 1.69 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 42.05 1ni7 h LEU 51 CO -0.66 1.36 0.53 0.11 -0.00 0.00 0.00 178.44 179.78 1ni7 h LYS 52 N 0.45 0.52 0.00 1.13 1.57 0.34 1.04 116.57 121.63 1ni7 h LYS 52 Ca -0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ni7 h LYS 52 Cb 1.44 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1ni7 h LYS 52 CO 0.16 0.34 -0.04 0.00 -0.57 0.00 0.00 179.45 179.35 1ni7 h ALA 53 N 1.63 1.00 -0.16 3.86 0.00 -0.81 -2.07 119.26 122.71 1ni7 h ALA 53 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ni7 h ALA 53 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ni7 h ALA 53 CO -0.15 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.18 1ni7 n GLN 54 N -3.13 1.58 -4.14 0.00 3.00 0.36 -4.87 117.38 110.17 1ni7 n GLN 54 Ca 0.01 -0.87 -0.21 0.00 -0.01 0.00 0.00 57.00 55.92 1ni7 n GLN 54 Cb 0.38 -1.34 -0.07 0.00 0.00 0.00 0.00 30.24 29.21 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 0.11 0.58 -2.78 -1.58 0.00 -0.78 -4.57 120.51 111.49 1ni7 n ALA 55 Ca 0.14 -1.85 -0.35 0.00 0.00 0.00 0.00 53.44 51.38 1ni7 n ALA 55 Cb 0.26 1.34 -0.09 0.00 0.00 0.00 0.00 19.45 20.96 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 -3.35 3.38 -0.10 0.00 1.02 0.32 -4.85 119.74 116.16 1ni7 s LYS 56 Ca 0.26 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 1ni7 s LYS 56 Cb 0.01 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1ni7 s LYS 56 CO 0.18 0.58 1.03 -2.00 -0.92 0.00 0.00 175.35 174.22 1ni7 s GLU 57 N -0.52 4.42 -0.06 1.68 2.56 -1.26 -1.47 118.70 124.05 1ni7 s GLU 57 Ca 0.10 1.42 0.05 0.00 0.00 0.00 0.00 54.97 56.54 1ni7 s GLU 57 Cb -0.12 -3.54 -0.02 0.00 2.00 0.00 0.00 34.13 32.45 1ni7 s GLU 57 CO 0.02 -0.32 -0.20 0.42 -0.56 0.00 0.00 175.26 174.62 1ni7 s ILE 58 N 1.99 2.52 -0.24 -3.70 1.01 0.54 -4.97 121.20 118.34 1ni7 s ILE 58 Ca 0.49 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1ni7 s ILE 58 Cb -0.19 -1.95 0.11 0.00 0.01 0.00 0.00 42.46 40.44 1ni7 s ILE 58 CO 0.19 0.57 0.26 0.00 0.00 0.00 0.00 174.94 175.96 1ni7 s ALA 59 N -0.36 -0.41 0.00 9.38 0.00 -1.26 0.18 121.76 129.29 1ni7 s ALA 59 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1ni7 s ALA 59 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1ni7 s ALA 59 CO 0.02 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1ni7 n GLY 60 N 5.32 0.00 0.00 0.00 0.00 -1.26 -5.04 105.19 104.21 1ni7 n GLY 60 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.26 -0.07 -3.92 0.00 -0.58 -1.26 -4.61 120.64 108.93 1ni7 n GLU 62 Ca 0.00 1.32 -0.09 0.00 -0.42 0.00 0.00 57.16 57.97 1ni7 n GLU 62 Cb 0.00 -2.03 -0.06 0.00 -0.57 0.00 0.00 31.44 28.79 1ni7 n GLU 62 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ni7 s ASN 63 N -5.13 -0.08 0.58 1.62 -0.87 -1.26 -5.11 114.94 104.70 1ni7 s ASN 63 Ca -0.12 -0.80 -0.18 0.00 -1.57 0.00 0.00 52.86 50.19 1ni7 s ASN 63 Cb 0.24 0.52 -0.12 0.00 -0.02 0.00 0.00 41.25 41.87 1ni7 s ASN 63 CO 0.67 -1.01 0.11 -2.11 -2.57 0.00 0.00 177.10 172.19 1ni7 n ARG 64 N -0.30 0.20 -4.03 -0.60 1.85 -1.26 -4.63 116.66 107.88 1ni7 n ARG 64 Ca -0.06 0.08 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 1ni7 n ARG 64 Cb 0.63 -1.32 -0.08 0.00 -1.05 0.00 0.00 32.46 30.64 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 -1.90 0.07 -0.01 8.89 1.01 0.46 -3.07 120.40 125.85 1ni7 s VAL 65 Ca 0.60 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ni7 s VAL 65 Cb -0.44 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1ni7 s VAL 65 CO 0.63 -0.33 0.05 0.26 0.00 0.00 0.00 175.10 175.70 1ni7 s TRP 66 N -4.00 -0.01 -0.13 5.22 0.51 -1.24 0.20 118.94 119.49 1ni7 s TRP 66 Ca 0.20 0.03 -0.08 0.00 -2.12 0.00 0.00 56.10 54.13 1ni7 s TRP 66 Cb 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 33.47 32.74 1ni7 s TRP 66 CO 0.01 -0.06 0.32 -1.17 -0.51 0.00 0.00 176.95 175.53 1ni7 s LEU 67 N -0.26 0.34 -0.01 2.99 2.96 -0.54 -1.95 118.68 122.21 1ni7 s LEU 67 Ca -0.03 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1ni7 s LEU 67 Cb -0.02 1.02 0.00 0.00 0.50 0.00 0.00 46.19 47.69 1ni7 s LEU 67 CO 0.00 -0.16 0.04 -0.83 -1.32 0.00 0.00 176.35 174.08 1ni7 s GLY 68 N 1.04 0.00 0.29 7.98 0.00 0.15 0.12 107.32 116.90 1ni7 s GLY 68 Ca -0.07 0.04 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 1ni7 s GLY 68 CO -0.08 0.01 0.60 -2.52 0.00 0.00 0.00 173.10 171.11 1ni7 s TYR 69 N -0.21 0.25 -0.25 1.90 -0.85 -1.26 0.99 117.35 117.91 1ni7 s TYR 69 Ca -0.03 -0.68 -0.23 0.00 -0.52 0.00 0.00 57.07 55.62 1ni7 s TYR 69 Cb -0.02 0.42 0.07 0.00 0.38 0.00 0.00 41.96 42.81 1ni7 s TYR 69 CO 0.00 -1.18 0.67 0.95 -1.52 0.00 0.00 175.55 174.46 1ni7 s THR 70 N -3.57 -0.00 0.09 -3.49 -4.23 -1.22 -4.97 115.64 98.24 1ni7 s THR 70 Ca 0.19 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 1ni7 s THR 70 Cb -0.03 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.83 1ni7 s THR 70 CO 0.10 0.00 1.02 -0.69 -0.54 0.00 0.00 174.62 174.52 1ni7 s VAL 71 N 0.45 4.42 0.86 2.29 1.01 -1.26 -2.87 120.40 125.30 1ni7 s VAL 71 Ca -0.01 1.90 -0.15 0.00 0.00 0.00 0.00 61.98 63.73 1ni7 s VAL 71 Cb -0.05 -4.22 0.20 0.00 0.00 0.00 0.00 36.38 32.32 1ni7 s VAL 71 CO -0.01 0.24 1.08 0.00 0.00 0.00 0.00 175.10 176.42 1ni7 n ALA 72 N 3.15 -1.59 0.01 5.51 0.00 -1.06 -4.87 120.51 121.66 1ni7 n ALA 72 Ca 0.04 -1.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.03 1ni7 n ALA 72 Cb 0.49 -0.08 0.27 0.00 0.00 0.00 0.00 19.45 20.12 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 0.50 0.00 0.00 5.08 -1.96 -2.70 114.58 115.50 1ni7 h GLU 73 Ca -0.36 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 57.67 1ni7 h GLU 73 Cb 1.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1ni7 h GLU 73 CO 0.25 0.60 -1.58 0.27 -1.00 0.00 0.00 179.01 177.55 1ni7 n ASN 74 N -4.22 0.74 0.00 1.42 6.94 -1.26 -4.97 115.26 113.90 1ni7 n ASN 74 Ca 0.01 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1ni7 n ASN 74 Cb 0.30 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 1ni7 n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ni7 n GLY 75 N 1.44 1.11 3.48 4.83 0.00 -1.02 -5.07 105.19 109.97 1ni7 n GLY 75 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 0.31 -2.19 1.61 5.02 -1.26 -3.59 118.16 118.05 1ni7 n LYS 76 Ca 0.00 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 1ni7 n LYS 76 Cb 0.00 -1.98 0.03 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 8.26 3.13 -0.23 1.97 -1.94 -1.13 -2.56 119.30 126.79 1ni7 s MET 77 Ca 1.24 0.30 -0.04 0.00 -1.71 0.00 0.00 55.69 55.48 1ni7 s MET 77 Cb -1.03 -2.18 0.08 0.00 2.01 0.00 0.00 34.83 33.70 1ni7 s MET 77 CO 0.46 -0.69 0.11 -1.01 -0.01 0.00 0.00 175.02 173.88 1ni7 s HIS 78 N -3.09 0.30 0.41 -0.03 3.76 -1.14 -4.13 115.29 111.37 1ni7 s HIS 78 Ca 0.54 -0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 54.69 1ni7 s HIS 78 Cb -0.11 -0.82 -0.07 0.00 1.11 0.00 0.00 32.58 32.69 1ni7 s HIS 78 CO 0.49 -0.68 0.80 -0.06 -0.85 0.00 0.00 174.74 174.43 1ni7 s PHE 79 N 2.10 3.45 -0.30 1.40 0.40 -1.26 -3.46 117.98 120.31 1ni7 s PHE 79 Ca 0.06 1.15 -0.12 0.00 -0.60 0.00 0.00 56.93 57.41 1ni7 s PHE 79 Cb -0.16 -2.52 0.15 0.00 0.51 0.00 0.00 43.02 41.00 1ni7 s PHE 79 CO -0.24 -0.11 0.82 -0.59 0.70 0.00 0.00 175.22 175.80 1ni7 s PHE 80 N -2.33 -1.02 0.32 0.36 -0.12 0.28 -4.95 117.98 110.51 1ni7 s PHE 80 Ca 0.53 1.74 -0.10 0.00 -0.05 0.00 0.00 56.93 59.05 1ni7 s PHE 80 Cb -0.10 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1ni7 s PHE 80 CO 0.28 -0.51 0.56 0.20 -0.05 0.00 0.00 175.22 175.70 1ni7 s GLY 81 N 2.69 0.85 -0.30 1.99 0.00 -1.26 0.31 107.32 111.60 1ni7 s GLY 81 Ca -0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.46 1ni7 s GLY 81 CO -0.18 -0.68 0.91 0.99 0.00 0.00 0.00 173.10 174.14 1ni7 s ASP 82 N -3.11 -0.69 0.72 1.64 1.11 -0.82 -4.97 116.67 110.55 1ni7 s ASP 82 Ca 0.24 0.98 -0.06 0.00 0.18 0.00 0.00 52.55 53.88 1ni7 s ASP 82 Cb -0.02 1.66 0.08 0.00 1.07 0.00 0.00 42.92 45.71 1ni7 s ASP 82 CO 0.14 -0.14 1.03 -0.55 1.18 0.00 0.00 175.17 176.83 1ni7 s SER 83 N 2.24 4.64 0.12 0.27 0.15 -1.26 -3.65 113.70 116.22 1ni7 s SER 83 Ca -0.05 0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.99 1ni7 s SER 83 Cb -0.07 -0.92 -0.18 0.00 -1.71 0.00 0.00 66.02 63.14 1ni7 s SER 83 CO -0.17 -1.70 1.28 -0.08 1.20 0.00 0.00 173.24 173.77 1ni7 h GLU 84 N -0.65 0.04 -7.54 5.44 4.57 -1.86 -3.45 114.58 111.14 1ni7 h GLU 84 Ca -0.43 -0.07 -0.46 0.00 -1.18 0.00 0.00 59.36 57.21 1ni7 h GLU 84 Cb 1.30 0.03 0.10 0.00 -0.16 0.00 0.00 28.75 30.02 1ni7 h GLU 84 CO 0.56 1.01 0.34 0.20 -1.18 0.00 0.00 179.01 179.94 1ni7 s GLY 85 N -4.68 1.67 -0.17 1.92 0.00 -1.26 -5.01 107.32 99.78 1ni7 s GLY 85 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.67 1ni7 s GLY 85 CO 0.83 -0.37 0.08 3.21 0.00 0.00 0.00 173.10 176.84 1ni7 h ARG 86 N -1.00 0.00 0.21 2.90 3.08 -1.91 -3.07 114.38 114.59 1ni7 h ARG 86 Ca -0.45 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.61 1ni7 h ARG 86 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.31 1ni7 h ARG 86 CO 0.58 0.52 -0.44 0.82 -1.07 0.00 0.00 179.97 180.38 1ni7 h ILE 87 N -1.00 0.13 -0.76 2.04 1.08 -1.85 0.46 117.51 117.61 1ni7 h ILE 87 Ca -0.16 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.44 1ni7 h ILE 87 Cb 0.87 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 1ni7 h ILE 87 CO -0.10 0.00 0.50 0.58 -0.69 0.00 0.00 178.15 178.44 1ni7 h VAL 88 N -0.74 0.84 0.55 1.67 2.07 -1.95 0.19 116.25 118.88 1ni7 h VAL 88 Ca -0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ni7 h VAL 88 Cb 0.72 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1ni7 h VAL 88 CO -0.20 0.09 -0.41 0.03 0.02 0.00 0.00 177.57 177.10 1ni7 h ARG 89 N 0.50 -0.90 -0.60 1.57 3.08 -0.88 -1.76 114.38 115.40 1ni7 h ARG 89 Ca 0.37 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.45 1ni7 h ARG 89 Cb 0.72 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1ni7 h ARG 89 CO -0.13 -0.60 0.25 0.78 -1.07 0.00 0.00 179.97 179.20 1ni7 h GLY 90 N -0.94 0.95 -0.26 0.04 0.00 -0.22 -2.40 103.07 100.24 1ni7 h GLY 90 Ca -0.06 -0.50 0.25 0.00 0.00 0.00 0.00 47.33 47.01 1ni7 h GLY 90 CO 0.01 0.48 0.49 1.41 0.00 0.00 0.00 176.54 178.93 1ni7 h LEU 91 N 0.82 0.46 -0.14 3.11 3.38 -0.44 0.41 115.31 122.92 1ni7 h LEU 91 Ca 0.20 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1ni7 h LEU 91 Cb 0.18 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1ni7 h LEU 91 CO -0.02 -0.00 0.04 0.25 0.09 0.00 0.00 178.44 178.79 1ni7 h LEU 92 N 0.43 0.22 -0.98 1.67 6.46 -0.81 -2.98 115.31 119.32 1ni7 h LEU 92 Ca 0.62 -0.23 0.09 0.00 -0.12 0.00 0.00 57.88 58.25 1ni7 h LEU 92 Cb 1.24 -0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 41.00 1ni7 h LEU 92 CO -0.54 0.39 -0.57 0.00 -0.62 0.00 0.00 178.44 177.10 1ni7 n ALA 93 N -2.26 -0.62 -0.30 1.25 0.00 0.14 0.19 120.51 118.92 1ni7 n ALA 93 Ca -0.05 0.83 0.11 0.00 0.00 0.00 0.00 53.44 54.33 1ni7 n ALA 93 Cb 0.16 -0.14 0.28 0.00 0.00 0.00 0.00 19.45 19.75 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 0.50 0.55 0.00 2.07 -1.38 0.36 116.25 118.36 1ni7 h VAL 94 Ca 0.16 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1ni7 h VAL 94 Cb 0.40 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1ni7 h VAL 94 CO -0.92 0.07 -0.26 0.25 0.02 0.00 0.00 177.57 176.73 1ni7 h LEU 95 N 0.40 -0.63 -1.74 2.57 6.46 0.23 -0.28 115.31 122.31 1ni7 h LEU 95 Ca 0.53 -0.04 0.29 0.00 -0.12 0.00 0.00 57.88 58.54 1ni7 h LEU 95 Cb 0.96 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 1ni7 h LEU 95 CO -0.51 -0.33 0.72 -0.07 -0.62 0.00 0.00 178.44 177.63 1ni7 h LEU 96 N -0.91 0.18 -0.49 2.25 3.38 0.26 1.52 115.31 121.50 1ni7 h LEU 96 Ca -0.08 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1ni7 h LEU 96 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1ni7 h LEU 96 CO 0.12 0.04 -0.68 0.74 0.09 0.00 0.00 178.44 178.75 1ni7 h THR 97 N 0.16 1.38 0.00 0.22 2.02 0.18 -2.87 112.91 114.01 1ni7 h THR 97 Ca 0.54 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.24 1ni7 h THR 97 Cb 1.80 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 70.55 1ni7 h THR 97 CO -0.12 0.67 -0.21 0.00 0.37 0.00 0.00 175.52 176.23 1ni7 h ALA 98 N 1.32 1.04 -0.79 6.16 0.00 0.39 -2.29 119.26 125.09 1ni7 h ALA 98 Ca -0.01 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 54.33 1ni7 h ALA 98 Cb 1.29 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.82 1ni7 h ALA 98 CO 0.09 0.26 0.41 1.33 0.00 0.00 0.00 179.25 181.34 1ni7 n VAL 99 N -3.41 2.99 -1.53 0.00 0.24 -0.58 -4.88 118.33 111.17 1ni7 n VAL 99 Ca -0.00 -2.10 -0.40 0.00 -2.04 0.00 0.00 64.34 59.80 1ni7 n VAL 99 Cb 0.41 -0.41 -0.06 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 -1.01 0.96 -4.02 7.34 -0.00 -0.86 -2.51 120.64 120.54 1ni7 n GLU 100 Ca 0.50 0.09 -0.33 0.00 -0.00 0.00 0.00 57.16 57.42 1ni7 n GLU 100 Cb 1.46 -2.94 -0.07 0.00 -0.00 0.00 0.00 31.44 29.89 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 6.15 -0.27 3.95 -1.84 0.00 -1.26 -4.87 105.19 107.04 1ni7 n GLY 101 Ca 0.42 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 -6.29 3.38 0.08 1.61 1.02 -1.04 -4.72 119.74 113.78 1ni7 s LYS 102 Ca 0.52 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 56.01 1ni7 s LYS 102 Cb -0.30 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1ni7 s LYS 102 CO 0.85 0.10 0.31 0.95 -0.92 0.00 0.00 175.35 176.64 1ni7 s THR 103 N -2.31 5.25 0.20 2.17 -4.23 -1.26 -2.84 115.64 112.61 1ni7 s THR 103 Ca 0.41 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.73 1ni7 s THR 103 Cb -0.10 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.26 1ni7 s THR 103 CO 0.35 0.18 1.55 0.00 -0.54 0.00 0.00 174.62 176.16 1ni7 h ALA 104 N 3.32 -0.12 -0.14 3.99 0.00 -1.95 0.52 119.26 124.89 1ni7 h ALA 104 Ca -0.47 0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1ni7 h ALA 104 Cb 1.18 1.16 -0.06 0.00 0.00 0.00 0.00 17.79 20.06 1ni7 h ALA 104 CO 0.71 -0.76 -0.34 0.00 0.00 0.00 0.00 179.25 178.86 1ni7 h ALA 105 N 1.03 -0.41 -0.67 0.00 0.00 -1.94 -1.16 119.26 116.12 1ni7 h ALA 105 Ca 0.27 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.33 1ni7 h ALA 105 Cb 0.52 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 1ni7 h ALA 105 CO -0.97 -0.82 -0.25 0.93 0.00 0.00 0.00 179.25 178.14 1ni7 h GLU 106 N -0.41 -0.07 -0.31 0.00 4.39 -0.51 0.32 114.58 117.99 1ni7 h GLU 106 Ca 0.09 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1ni7 h GLU 106 Cb 0.56 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 1ni7 h GLU 106 CO -0.37 -0.04 -0.42 -0.07 -1.16 0.00 0.00 179.01 176.95 1ni7 h LEU 107 N -0.07 -1.36 -2.79 1.33 3.38 0.46 1.04 115.31 117.31 1ni7 h LEU 107 Ca 0.30 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.47 1ni7 h LEU 107 Cb 0.54 0.58 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1ni7 h LEU 107 CO -0.72 -0.38 -0.00 1.56 0.09 0.00 0.00 178.44 178.98 1ni7 h GLN 108 N -0.38 0.00 0.00 1.13 4.20 -0.14 0.21 115.11 120.14 1ni7 h GLN 108 Ca 0.12 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 1ni7 h GLN 108 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1ni7 h GLN 108 CO -0.51 0.00 -0.71 0.00 -0.67 0.00 0.00 178.83 176.94 1ni7 h ALA 109 N 2.00 0.56 -2.95 3.87 0.00 0.45 -3.43 119.26 119.75 1ni7 h ALA 109 Ca -0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 54.91 53.92 1ni7 h ALA 109 Cb 0.04 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.36 1ni7 h ALA 109 CO 0.00 0.86 -0.67 -1.14 0.00 0.00 0.00 179.25 178.30 1ni7 s GLN 110 N -2.87 0.07 0.29 0.00 0.74 0.14 -5.06 119.66 112.97 1ni7 s GLN 110 Ca 0.03 0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 1ni7 s GLN 110 Cb 0.08 -0.94 -0.10 0.00 1.10 0.00 0.00 33.01 33.15 1ni7 s GLN 110 CO 0.77 -0.49 1.41 -1.54 -0.55 0.00 0.00 175.29 174.89 1ni7 s SER 111 N 2.25 6.64 0.07 6.67 1.04 -1.22 -4.51 113.70 124.64 1ni7 s SER 111 Ca 0.04 2.73 0.23 0.00 0.48 0.00 0.00 55.95 59.42 1ni7 s SER 111 Cb -0.14 -2.64 0.92 0.00 0.10 0.00 0.00 66.02 64.27 1ni7 s SER 111 CO -0.08 -0.68 1.71 -0.81 0.98 0.00 0.00 173.24 174.36 1ni7 n PRO 112 N 1.70 0.06 0.22 4.02 -0.04 -1.26 -2.33 135.00 137.37 1ni7 n PRO 112 Ca 0.04 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 1ni7 n PRO 112 Cb 0.40 -1.60 0.37 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.56 1.53 3.38 -1.98 -3.25 115.31 115.54 1ni7 h LEU 113 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ni7 h LEU 113 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ni7 h LEU 113 CO 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.17 1ni7 h ALA 114 N 2.07 -0.90 -0.99 1.53 0.00 -1.85 -2.31 119.26 116.80 1ni7 h ALA 114 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1ni7 h ALA 114 Cb 0.79 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1ni7 h ALA 114 CO 0.00 -1.03 -0.56 1.28 0.00 0.00 0.00 179.25 178.95 1ni7 n LEU 115 N -5.50 -0.99 -0.21 0.00 4.77 -1.23 0.17 117.00 114.02 1ni7 n LEU 115 Ca -0.12 1.76 -0.06 0.00 -0.03 0.00 0.00 56.01 57.56 1ni7 n LEU 115 Cb 0.39 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1ni7 n LEU 115 CO 0.33 -1.46 0.61 -0.26 -1.33 0.00 0.00 177.39 175.28 1ni7 h PHE 116 N 0.00 -1.06 -0.09 -1.77 -1.00 -1.65 0.94 116.94 112.31 1ni7 h PHE 116 Ca 0.19 0.08 -0.00 0.00 2.81 0.00 0.00 57.97 61.04 1ni7 h PHE 116 Cb 0.44 0.55 -0.00 0.00 3.61 0.00 0.00 35.95 40.54 1ni7 h PHE 116 CO -1.00 -0.40 0.05 0.22 -1.61 0.00 0.00 178.31 175.57 1ni7 h ASP 117 N -0.19 0.11 -0.52 2.17 3.58 0.13 1.56 116.42 123.26 1ni7 h ASP 117 Ca 0.21 -0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.71 1ni7 h ASP 117 Cb 0.56 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.50 1ni7 h ASP 117 CO -0.69 0.14 0.02 -0.33 -2.88 0.00 0.00 179.24 175.51 1ni7 h GLU 118 N 0.07 0.14 0.00 0.28 4.39 0.37 0.12 114.58 119.95 1ni7 h GLU 118 Ca 0.03 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 1ni7 h GLU 118 Cb 0.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ni7 h GLU 118 CO -0.01 0.09 -0.65 -0.07 -1.16 0.00 0.00 179.01 177.22 1ni7 h LEU 119 N 0.14 0.00 0.00 1.33 3.38 0.12 -3.47 115.31 116.81 1ni7 h LEU 119 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ni7 h LEU 119 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ni7 h LEU 119 CO -0.42 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1ni7 n GLY 120 N 0.64 0.67 0.06 0.83 0.00 0.50 -4.94 105.19 102.95 1ni7 n GLY 120 Ca -0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.41 1ni7 n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni7 n LEU 121 N 0.00 0.62 -0.70 0.99 4.77 0.50 -4.12 117.00 119.06 1ni7 n LEU 121 Ca 0.00 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1ni7 n LEU 121 Cb 0.38 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1ni7 n LEU 121 CO 0.00 -0.06 0.26 -1.14 -1.33 0.00 0.00 177.39 175.11 1ni7 n ARG 122 N -2.00 0.00 0.33 3.23 0.00 -1.23 -4.90 116.66 112.09 1ni7 n ARG 122 Ca 0.05 -0.58 0.17 0.00 -0.00 0.00 0.00 57.85 57.49 1ni7 n ARG 122 Cb 0.41 0.02 0.91 0.00 0.00 0.00 0.00 32.46 33.81 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ni7 h ALA 123 N 0.08 1.24 -0.63 5.13 0.00 -1.76 1.05 119.26 124.38 1ni7 h ALA 123 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1ni7 h ALA 123 Cb 1.24 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1ni7 h ALA 123 CO -0.06 -0.24 0.16 0.94 0.00 0.00 0.00 179.25 180.05 1ni7 n GLN 124 N -2.92 3.95 -1.36 0.00 -0.06 -1.26 -4.97 117.38 110.77 1ni7 n GLN 124 Ca -0.02 -2.86 -0.57 0.00 -2.00 0.00 0.00 57.00 51.55 1ni7 n GLN 124 Cb 0.30 -2.18 -0.10 0.00 -4.06 0.00 0.00 30.24 24.20 1ni7 n GLN 124 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ni7 n LEU 125 N 0.16 1.36 -4.51 1.69 4.77 0.36 -4.88 117.00 115.95 1ni7 n LEU 125 Ca 0.33 0.61 -0.29 0.00 -0.03 0.00 0.00 56.01 56.64 1ni7 n LEU 125 Cb 1.25 -1.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.53 1ni7 n LEU 125 CO 0.37 -0.74 0.54 -0.55 -1.33 0.00 0.00 177.39 175.68 1ni7 s SER 126 N 6.28 0.84 0.00 -1.43 0.15 -1.26 -4.78 113.70 113.51 1ni7 s SER 126 Ca 1.15 1.08 -0.14 0.00 0.70 0.00 0.00 55.95 58.74 1ni7 s SER 126 Cb -1.24 -1.64 -0.08 0.00 -1.71 0.00 0.00 66.02 61.36 1ni7 s SER 126 CO 0.60 -4.22 0.86 0.00 1.20 0.00 0.00 173.24 171.68 1ni7 h ALA 127 N -2.64 -0.79 -0.60 5.45 0.00 -1.99 -0.64 119.26 118.04 1ni7 h ALA 127 Ca -0.53 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.32 1ni7 h ALA 127 Cb 1.33 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1ni7 h ALA 127 CO 0.44 -0.75 0.34 1.03 0.00 0.00 0.00 179.25 180.31 1ni7 h SER 128 N -0.70 0.51 -0.47 0.00 0.87 -2.01 -0.10 113.55 111.65 1ni7 h SER 128 Ca -0.05 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1ni7 h SER 128 Cb 0.39 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1ni7 h SER 128 CO 0.08 0.34 0.32 0.03 -0.53 0.00 0.00 176.83 177.08 1ni7 h ARG 129 N 0.64 0.22 -0.13 2.24 3.08 -1.93 -1.17 114.38 117.33 1ni7 h ARG 129 Ca 0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ni7 h ARG 129 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ni7 h ARG 129 CO -0.15 0.14 0.08 1.03 -1.07 0.00 0.00 179.97 180.00 1ni7 h SER 130 N 0.22 0.15 -0.73 7.04 0.87 0.63 -1.46 113.55 120.26 1ni7 h SER 130 Ca 0.22 -0.02 0.18 0.00 -1.23 0.00 0.00 61.79 60.94 1ni7 h SER 130 Cb 0.57 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1ni7 h SER 130 CO -0.04 0.12 0.51 -0.61 -0.53 0.00 0.00 176.83 176.28 1ni7 h GLN 131 N 0.16 0.17 0.54 2.24 4.15 -1.05 0.55 115.11 121.86 1ni7 h GLN 131 Ca 0.05 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1ni7 h GLN 131 Cb 0.00 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.66 1ni7 h GLN 131 CO -0.01 0.11 -0.26 0.78 -1.93 0.00 0.00 178.83 177.52 1ni7 h GLY 132 N 0.17 -0.75 0.77 2.39 0.00 -1.15 -2.44 103.07 102.06 1ni7 h GLY 132 Ca 0.36 0.28 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1ni7 h GLY 132 CO -0.06 -0.27 0.64 -2.00 0.00 0.00 0.00 176.54 174.85 1ni7 h LEU 133 N -1.15 1.03 -1.66 3.11 6.46 -0.77 0.12 115.31 122.46 1ni7 h LEU 133 Ca -0.07 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.81 1ni7 h LEU 133 Cb 0.55 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 1ni7 h LEU 133 CO 0.12 0.67 0.43 -1.13 -0.62 0.00 0.00 178.44 177.90 1ni7 h ASN 134 N 1.17 0.33 -0.20 1.25 -0.73 0.06 0.46 115.58 117.92 1ni7 h ASN 134 Ca 0.42 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.54 1ni7 h ASN 134 Cb 0.15 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1ni7 h ASN 134 CO -0.16 0.19 -0.06 0.00 -0.37 0.00 0.00 177.43 177.02 1ni7 h ALA 135 N 1.69 1.27 0.02 1.57 0.00 -0.24 1.14 119.26 124.71 1ni7 h ALA 135 Ca 0.30 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1ni7 h ALA 135 Cb 0.68 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ni7 h ALA 135 CO -0.08 0.48 -0.53 -0.07 0.00 0.00 0.00 179.25 179.05 1ni7 h LEU 136 N 0.51 0.44 0.12 0.00 3.38 -0.10 -2.83 115.31 116.83 1ni7 h LEU 136 Ca 0.10 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1ni7 h LEU 136 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ni7 h LEU 136 CO 0.02 1.18 -0.06 -1.28 0.09 0.00 0.00 178.44 178.40 1ni7 h SER 137 N -0.25 -0.13 -0.80 -0.43 0.87 -0.32 -2.62 113.55 109.87 1ni7 h SER 137 Ca -0.07 -0.22 0.22 0.00 -1.23 0.00 0.00 61.79 60.48 1ni7 h SER 137 Cb 1.28 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 1ni7 h SER 137 CO 0.10 0.15 0.57 1.05 -0.53 0.00 0.00 176.83 178.17 1ni7 h GLU 138 N -0.43 0.07 -0.92 2.24 4.11 0.12 0.48 114.58 120.25 1ni7 h GLU 138 Ca -0.02 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.44 1ni7 h GLU 138 Cb 0.35 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1ni7 h GLU 138 CO 0.03 0.05 0.61 0.00 0.07 0.00 0.00 179.01 179.76 1ni7 h ALA 139 N 1.61 1.39 -0.04 1.06 0.00 -1.20 0.21 119.26 122.29 1ni7 h ALA 139 Ca 0.39 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 1ni7 h ALA 139 Cb 1.43 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ni7 h ALA 139 CO -0.03 0.54 -0.96 0.82 0.00 0.00 0.00 179.25 179.62 1ni7 h ILE 140 N 1.19 1.28 0.09 0.00 2.04 -0.06 -2.91 117.51 119.14 1ni7 h ILE 140 Ca 0.36 -2.16 0.02 0.00 1.00 0.00 0.00 64.86 64.07 1ni7 h ILE 140 Cb -0.04 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1ni7 h ILE 140 CO -0.10 0.67 -0.20 0.40 0.00 0.00 0.00 178.15 178.93 1ni7 h ILE 141 N 0.42 0.55 -0.80 -0.67 1.08 -0.43 0.93 117.51 118.58 1ni7 h ILE 141 Ca -0.11 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.51 1ni7 h ILE 141 Cb 1.61 0.55 -0.10 0.00 -3.07 0.00 0.00 36.82 35.81 1ni7 h ILE 141 CO 0.19 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 178.02 1ni7 h ALA 142 N 0.46 1.17 0.79 1.87 0.00 -0.67 1.02 119.26 123.90 1ni7 h ALA 142 Ca 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ni7 h ALA 142 Cb 0.40 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ni7 h ALA 142 CO -0.12 -0.17 -0.46 0.00 0.00 0.00 0.00 179.25 178.50 1ni7 h ALA 143 N 1.56 -1.21 -0.48 0.00 0.00 -1.07 -0.66 119.26 117.40 1ni7 h ALA 143 Ca 0.44 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ni7 h ALA 143 Cb 0.66 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1ni7 h ALA 143 CO -0.39 -1.19 0.17 1.79 0.00 0.00 0.00 179.25 179.63 1ni7 h THR 144 N -1.17 0.85 -0.89 0.00 1.35 0.13 0.11 112.91 113.29 1ni7 h THR 144 Ca -0.10 -0.12 0.21 0.00 -0.55 0.00 0.00 66.41 65.85 1ni7 h THR 144 Cb 0.93 0.46 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 1ni7 h THR 144 CO 0.12 0.06 0.60 0.11 -0.25 0.00 0.00 175.52 176.16 1ni7 h LYS 145 N 0.35 0.31 -0.02 4.72 1.57 0.13 1.60 116.57 125.23 1ni7 h LYS 145 Ca 0.23 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1ni7 h LYS 145 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ni7 h LYS 145 CO -0.23 0.21 -0.22 1.96 -0.57 0.00 0.00 179.45 180.60 1ni7 h GLN 146 N 0.32 0.19 0.21 3.15 7.50 0.74 -2.35 115.11 124.87 1ni7 h GLN 146 Ca 0.46 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.42 1ni7 h GLN 146 Cb 1.26 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.83 1ni7 h GLN 146 CO -0.14 0.86 -0.10 0.28 -1.50 0.00 0.00 178.83 178.23 1ni7 h VAL 147 N -0.42 0.88 -0.30 -0.54 2.07 0.76 -3.15 116.25 115.54 1ni7 h VAL 147 Ca -0.02 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1ni7 h VAL 147 Cb 0.92 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1ni7 h VAL 147 CO 0.04 0.11 -0.47 -0.07 0.02 0.00 0.00 177.57 177.20 1ni7 h LEU 148 N -0.51 -1.54 0.00 2.57 3.38 0.21 -3.51 115.31 115.90 1ni7 h LEU 148 Ca -0.03 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ni7 h LEU 148 Cb 0.39 0.64 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ni7 h LEU 148 CO 0.05 -0.41 0.00 -0.62 0.09 0.00 0.00 178.44 177.55