#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 0.88 0.20 3.17 -4.23 -1.26 -5.16 115.64 109.24 1ni7 s THR 2 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1ni7 s THR 2 Cb 0.00 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1ni7 s THR 2 CO 0.00 -0.62 0.15 0.54 -0.54 0.00 0.00 174.62 174.15 1ni7 s ASN 3 N -3.16 5.48 0.49 3.99 2.20 -1.26 -5.10 114.94 117.57 1ni7 s ASN 3 Ca 0.20 -0.20 -0.20 0.00 -0.94 0.00 0.00 52.86 51.72 1ni7 s ASN 3 Cb 0.05 -1.40 -0.08 0.00 -2.00 0.00 0.00 41.25 37.81 1ni7 s ASN 3 CO 0.02 0.02 1.04 -2.16 -2.94 0.00 0.00 177.10 173.08 1ni7 s PRO 4 N -3.41 3.79 -0.18 3.55 0.04 -1.26 -5.05 135.00 132.47 1ni7 s PRO 4 Ca 0.32 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1ni7 s PRO 4 Cb -0.09 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1ni7 s PRO 4 CO 0.24 -0.44 -0.06 -1.14 0.04 0.00 0.00 177.00 175.64 1ni7 s GLN 5 N -3.27 1.52 0.13 4.56 0.74 -1.26 -5.12 119.66 116.96 1ni7 s GLN 5 Ca 0.67 -0.63 0.09 0.00 0.05 0.00 0.00 55.36 55.54 1ni7 s GLN 5 Cb -0.16 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.74 1ni7 s GLN 5 CO 0.21 -0.47 -0.18 -0.59 -0.55 0.00 0.00 175.29 173.71 1ni7 s PHE 6 N 1.57 2.52 -0.08 1.67 -0.71 -1.26 -5.06 117.98 116.63 1ni7 s PHE 6 Ca -0.01 -0.27 -0.41 0.00 -1.04 0.00 0.00 56.93 55.20 1ni7 s PHE 6 Cb -0.16 -1.32 -0.20 0.00 -1.21 0.00 0.00 43.02 40.13 1ni7 s PHE 6 CO -0.08 0.41 1.18 0.00 -1.34 0.00 0.00 175.22 175.39 1ni7 n ALA 7 N 0.67 -3.13 0.09 1.99 0.00 -1.26 -4.83 120.51 114.04 1ni7 n ALA 7 Ca -0.15 0.58 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 1ni7 n ALA 7 Cb 0.53 -1.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ni7 h GLY 8 N 3.44 0.20 -6.50 0.00 0.00 -1.99 -3.48 103.07 94.74 1ni7 h GLY 8 Ca -0.50 -0.37 -0.40 0.00 0.00 0.00 0.00 47.33 46.07 1ni7 h GLY 8 CO 0.71 0.32 -1.00 -2.39 0.00 0.00 0.00 176.54 174.19 1ni7 n HIS 9 N -3.64 -2.37 0.07 5.60 1.44 -1.26 -4.87 115.22 110.18 1ni7 n HIS 9 Ca -0.03 0.97 -0.11 0.00 -2.01 0.00 0.00 57.72 56.54 1ni7 n HIS 9 Cb 0.81 -2.70 -0.00 0.00 0.12 0.00 0.00 29.99 28.22 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 0.51 0.34 -3.53 -1.40 0.13 -1.95 -3.36 132.00 122.74 1ni7 h PRO 10 Ca -0.53 -0.33 -0.27 0.00 -0.87 0.00 0.00 66.00 64.00 1ni7 h PRO 10 Cb 1.35 0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.57 1ni7 h PRO 10 CO 0.32 1.01 2.09 1.97 -0.23 0.00 0.00 178.00 183.15 1ni7 n PHE 11 N -3.76 0.96 0.00 1.56 1.16 -1.26 -1.57 117.46 114.55 1ni7 n PHE 11 Ca -0.05 -1.54 0.00 0.00 -1.87 0.00 0.00 57.45 53.99 1ni7 n PHE 11 Cb 0.78 -1.37 0.00 0.00 -1.61 0.00 0.00 39.48 37.28 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 3.77 0.00 1.05 4.97 0.00 -1.22 -3.09 105.19 110.67 1ni7 n GLY 12 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.02 2.61 -1.04 -0.96 -4.55 114.28 110.33 1ni7 n THR 13 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1ni7 n THR 13 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -2.81 0.20 -3.09 12.58 -1.04 -1.15 -4.94 114.28 114.03 1ni7 n THR 14 Ca 0.00 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 1ni7 n THR 14 Cb 0.00 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 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 -2.07 4.79 0.15 12.58 1.01 -0.61 -4.85 120.40 131.40 1ni7 s VAL 15 Ca -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1ni7 s VAL 15 Cb 0.01 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1ni7 s VAL 15 CO 0.10 -0.75 -0.16 0.42 0.00 0.00 0.00 175.10 174.71 1ni7 s THR 16 N 2.89 1.57 0.51 3.92 -4.23 -1.26 -3.38 115.64 115.65 1ni7 s THR 16 Ca 0.20 -1.86 0.34 0.00 -1.18 0.00 0.00 61.69 59.19 1ni7 s THR 16 Cb -0.16 -1.72 0.53 0.00 1.34 0.00 0.00 72.50 72.49 1ni7 s THR 16 CO 0.16 -0.40 1.78 0.00 -0.54 0.00 0.00 174.62 175.62 1ni7 h ALA 17 N 3.29 2.97 0.34 3.99 0.00 -1.92 0.31 119.26 128.25 1ni7 h ALA 17 Ca -0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1ni7 h ALA 17 Cb 1.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ni7 h ALA 17 CO 0.52 -1.35 -0.16 1.49 0.00 0.00 0.00 179.25 179.75 1ni7 h GLU 18 N 0.08 -0.44 -0.84 0.00 4.57 -1.96 -1.56 114.58 114.43 1ni7 h GLU 18 Ca 0.60 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 59.00 1ni7 h GLU 18 Cb 2.21 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 30.79 1ni7 h GLU 18 CO -0.08 -0.29 0.33 1.15 -1.18 0.00 0.00 179.01 178.93 1ni7 h THR 19 N -1.03 0.54 -0.58 0.32 2.02 -1.41 0.55 112.91 113.32 1ni7 h THR 19 Ca -0.05 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1ni7 h THR 19 Cb 0.35 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1ni7 h THR 19 CO 0.08 0.07 0.15 -0.07 0.37 0.00 0.00 175.52 176.12 1ni7 h LEU 20 N 0.40 0.83 -1.76 2.58 3.38 -0.54 -1.80 115.31 118.40 1ni7 h LEU 20 Ca 0.49 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.47 1ni7 h LEU 20 Cb 0.86 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1ni7 h LEU 20 CO -0.49 0.81 0.46 -0.09 0.09 0.00 0.00 178.44 179.22 1ni7 h ARG 21 N 0.86 0.23 -0.61 1.13 2.43 0.12 0.34 114.38 118.88 1ni7 h ARG 21 Ca 0.19 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1ni7 h ARG 21 Cb 0.30 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1ni7 h ARG 21 CO -0.00 0.15 0.23 -0.97 -1.51 0.00 0.00 179.97 177.87 1ni7 h ASN 22 N 0.23 0.85 1.12 -3.80 -0.73 -0.83 1.38 115.58 113.80 1ni7 h ASN 22 Ca 0.33 -0.18 -0.11 0.00 1.87 0.00 0.00 56.30 58.20 1ni7 h ASN 22 Cb 0.95 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 1ni7 h ASN 22 CO -0.07 0.80 -0.54 0.74 -0.37 0.00 0.00 177.43 177.99 1ni7 h THR 23 N 0.85 1.03 0.00 -3.57 2.02 -0.68 -3.07 112.91 109.49 1ni7 h THR 23 Ca 0.20 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1ni7 h THR 23 Cb 0.22 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1ni7 h THR 23 CO -0.01 0.53 -0.63 -0.26 0.37 0.00 0.00 175.52 175.52 1ni7 h PHE 24 N 0.00 0.00 -0.94 3.16 0.04 0.12 -3.36 116.94 115.96 1ni7 h PHE 24 Ca -0.01 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 1ni7 h PHE 24 Cb 1.25 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.25 1ni7 h PHE 24 CO 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 178.31 177.33 1ni7 n ALA 25 N -2.06 -0.14 0.14 2.45 0.00 0.47 0.17 120.51 121.53 1ni7 n ALA 25 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.39 1ni7 n ALA 25 Cb 0.51 -0.40 0.14 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 0.00 0.00 0.13 -1.77 -3.43 132.00 126.93 1ni7 h PRO 26 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1ni7 h PRO 26 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1ni7 h PRO 26 CO -0.93 0.61 0.00 1.28 -0.23 0.00 0.00 178.00 178.73 1ni7 n LEU 27 N -3.55 0.00 0.00 1.56 4.77 0.45 -4.79 117.00 115.44 1ni7 n LEU 27 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ni7 n LEU 27 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1ni7 n LEU 27 CO 0.41 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.54 1ni7 n THR 28 N 0.00 0.00 -3.78 -5.08 5.66 -1.19 -5.02 114.28 104.86 1ni7 n THR 28 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1ni7 n THR 28 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1ni7 n THR 28 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1ni7 s GLN 29 N -0.43 2.86 0.22 1.09 -0.21 -1.26 -4.98 119.66 116.95 1ni7 s GLN 29 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.25 1ni7 s GLN 29 Cb 0.00 -3.37 0.30 0.00 1.00 0.00 0.00 33.01 30.94 1ni7 s GLN 29 CO 0.00 -0.54 1.37 1.87 -2.12 0.00 0.00 175.29 175.88 1ni7 n TRP 30 N 4.82 0.16 -0.24 0.91 -0.00 -1.26 0.19 117.44 122.02 1ni7 n TRP 30 Ca -0.14 1.08 -0.01 0.00 -0.00 0.00 0.00 57.50 58.43 1ni7 n TRP 30 Cb 0.46 -0.91 0.05 0.00 -0.00 0.00 0.00 31.31 30.91 1ni7 n TRP 30 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1ni7 h GLU 31 N 0.00 -0.06 0.25 5.87 5.08 -1.98 1.37 114.58 125.12 1ni7 h GLU 31 Ca 0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1ni7 h GLU 31 Cb 0.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ni7 h GLU 31 CO -0.89 -0.04 -0.12 -0.44 -1.00 0.00 0.00 179.01 176.52 1ni7 h ASP 32 N -0.06 -0.29 -0.71 1.42 3.32 0.17 -1.90 116.42 118.38 1ni7 h ASP 32 Ca 0.31 -0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.22 1ni7 h ASP 32 Cb 0.55 0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.05 1ni7 h ASP 32 CO -0.74 0.18 -0.42 0.11 -1.72 0.00 0.00 179.24 176.65 1ni7 h LYS 33 N -0.88 -0.14 -0.20 3.56 1.57 0.19 1.61 116.57 122.28 1ni7 h LYS 33 Ca -0.03 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1ni7 h LYS 33 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1ni7 h LYS 33 CO 0.06 -0.10 0.14 -0.92 -0.57 0.00 0.00 179.45 178.06 1ni7 h TYR 34 N -0.15 0.12 0.12 -1.35 5.03 0.18 0.56 116.97 121.47 1ni7 h TYR 34 Ca 0.22 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 1ni7 h TYR 34 Cb 0.56 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1ni7 h TYR 34 CO -0.76 0.07 -0.06 -0.09 -1.32 0.00 0.00 178.16 176.00 1ni7 h ARG 35 N 0.12 -0.16 -0.67 1.82 1.12 0.23 -3.31 114.38 113.52 1ni7 h ARG 35 Ca 0.09 0.01 0.16 0.00 -1.11 0.00 0.00 59.98 59.13 1ni7 h ARG 35 Cb 0.20 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.16 1ni7 h ARG 35 CO -0.01 -0.11 0.47 0.37 -3.11 0.00 0.00 179.97 177.58 1ni7 h GLN 36 N -0.63 0.21 -1.03 0.20 4.15 0.18 0.15 115.11 118.34 1ni7 h GLN 36 Ca -0.02 -0.01 0.26 0.00 0.77 0.00 0.00 58.65 59.65 1ni7 h GLN 36 Cb 0.13 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.68 1ni7 h GLN 36 CO 0.03 0.14 0.67 -0.07 -1.93 0.00 0.00 178.83 177.66 1ni7 h LEU 37 N 0.21 0.43 -0.55 -2.39 3.38 0.03 0.97 115.31 117.39 1ni7 h LEU 37 Ca 0.33 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 1ni7 h LEU 37 Cb 0.98 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1ni7 h LEU 37 CO -0.06 0.09 -0.26 0.40 0.09 0.00 0.00 178.44 178.70 1ni7 h ILE 38 N 0.38 1.27 -0.58 1.22 2.04 -0.80 -2.86 117.51 118.19 1ni7 h ILE 38 Ca 0.58 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1ni7 h ILE 38 Cb 1.50 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1ni7 h ILE 38 CO -0.28 0.48 0.23 0.24 0.00 0.00 0.00 178.15 178.82 1ni7 h MET 39 N 0.76 0.83 -0.64 2.37 2.86 0.87 -1.35 114.93 120.64 1ni7 h MET 39 Ca 0.09 -0.13 0.18 0.00 -2.06 0.00 0.00 59.70 57.79 1ni7 h MET 39 Cb 0.82 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1ni7 h MET 39 CO 0.07 0.68 0.52 -0.07 1.06 0.00 0.00 176.91 179.17 1ni7 h LEU 40 N 0.83 0.00 0.08 1.22 -0.00 -0.85 -0.89 115.31 115.69 1ni7 h LEU 40 Ca 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ni7 h LEU 40 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1ni7 h LEU 40 CO -0.02 0.00 -0.04 1.23 -0.00 0.00 0.00 178.44 179.61 1ni7 h GLY 41 N 0.00 -0.11 -0.57 0.83 0.00 -1.31 -3.21 103.07 98.70 1ni7 h GLY 41 Ca 0.30 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.81 1ni7 h GLY 41 CO -0.00 -0.04 -0.26 0.50 0.00 0.00 0.00 176.54 176.74 1ni7 h LYS 42 N -0.92 -0.05 -0.86 4.80 1.57 -1.09 0.75 116.57 120.77 1ni7 h LYS 42 Ca -0.01 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 1ni7 h LYS 42 Cb 0.56 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.76 1ni7 h LYS 42 CO 0.02 -0.03 0.35 1.96 -0.57 0.00 0.00 179.45 181.17 1ni7 h GLN 43 N -0.05 0.38 -6.52 3.15 4.20 -1.45 -3.41 115.11 111.40 1ni7 h GLN 43 Ca 0.33 -0.02 -0.60 0.00 0.06 0.00 0.00 58.65 58.41 1ni7 h GLN 43 Cb 0.57 -0.09 0.10 0.00 0.30 0.00 0.00 27.48 28.37 1ni7 h GLN 43 CO -0.79 0.25 0.28 -0.11 -0.67 0.00 0.00 178.83 177.80 1ni7 n LEU 44 N -5.06 2.28 -4.82 1.46 7.94 0.26 -4.94 117.00 114.12 1ni7 n LEU 44 Ca 0.20 1.18 -0.31 0.00 -1.11 0.00 0.00 56.01 55.97 1ni7 n LEU 44 Cb 0.59 -1.34 0.06 0.00 0.53 0.00 0.00 43.42 43.26 1ni7 n LEU 44 CO 0.13 -1.09 0.71 -2.16 -1.11 0.00 0.00 177.39 173.88 1ni7 s PRO 45 N -1.32 2.79 -0.25 1.96 0.04 -1.26 -4.97 135.00 131.98 1ni7 s PRO 45 Ca 0.61 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1ni7 s PRO 45 Cb -0.69 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1ni7 s PRO 45 CO 0.58 -1.19 1.31 0.00 0.04 0.00 0.00 177.00 177.74 1ni7 s ALA 46 N -3.06 3.46 -0.14 8.56 0.00 -1.26 -4.96 121.76 124.36 1ni7 s ALA 46 Ca 0.58 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1ni7 s ALA 46 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1ni7 s ALA 46 CO 0.55 -1.58 1.61 -1.17 0.00 0.00 0.00 175.76 175.17 1ni7 s LEU 47 N 4.13 4.12 0.82 0.00 2.96 -1.26 -4.98 118.68 124.46 1ni7 s LEU 47 Ca 0.57 1.92 -0.12 0.00 -0.22 0.00 0.00 54.13 56.29 1ni7 s LEU 47 Cb -0.19 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.05 1ni7 s LEU 47 CO 0.21 -1.06 1.10 -2.16 -1.32 0.00 0.00 176.35 173.12 1ni7 s PRO 48 N 4.28 1.94 0.03 0.98 0.04 -1.26 -4.87 135.00 136.13 1ni7 s PRO 48 Ca 0.71 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 1ni7 s PRO 48 Cb -0.29 -1.91 -0.17 0.00 0.04 0.00 0.00 34.50 32.18 1ni7 s PRO 48 CO 0.28 -1.71 1.32 0.22 0.04 0.00 0.00 177.00 177.15 1ni7 h ASP 49 N -1.15 -0.51 -0.99 6.66 3.58 -1.98 0.57 116.42 122.61 1ni7 h ASP 49 Ca -0.48 -0.08 0.34 0.00 0.42 0.00 0.00 57.03 57.23 1ni7 h ASP 49 Cb 1.28 0.13 -0.16 0.00 1.72 0.00 0.00 39.33 42.30 1ni7 h ASP 49 CO 0.60 -0.19 0.47 1.05 -2.88 0.00 0.00 179.24 178.28 1ni7 h GLU 50 N -0.85 0.15 -0.11 0.28 4.11 -2.00 1.48 114.58 117.64 1ni7 h GLU 50 Ca -0.06 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.13 1ni7 h GLU 50 Cb 0.56 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1ni7 h GLU 50 CO 0.10 0.10 -0.83 -0.07 0.07 0.00 0.00 179.01 178.38 1ni7 h LEU 51 N 0.16 0.88 -1.24 3.06 -0.00 -1.89 -2.92 115.31 113.36 1ni7 h LEU 51 Ca 0.74 -0.60 0.18 0.00 -0.00 0.00 0.00 57.88 58.20 1ni7 h LEU 51 Cb 1.78 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 42.10 1ni7 h LEU 51 CO -0.71 1.40 0.60 0.11 -0.00 0.00 0.00 178.44 179.84 1ni7 h LYS 52 N 0.48 0.64 0.00 1.13 1.57 0.43 1.02 116.57 121.83 1ni7 h LYS 52 Ca -0.07 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1ni7 h LYS 52 Cb 1.46 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1ni7 h LYS 52 CO 0.17 0.42 -0.43 0.00 -0.57 0.00 0.00 179.45 179.04 1ni7 h ALA 53 N 1.61 0.94 0.00 3.86 0.00 -0.89 -2.48 119.26 122.31 1ni7 h ALA 53 Ca 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ni7 h ALA 53 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ni7 h ALA 53 CO -0.26 0.53 -0.08 1.04 0.00 0.00 0.00 179.25 180.48 1ni7 n GLN 54 N -3.53 0.20 -2.34 0.00 3.00 0.32 -4.84 117.38 110.19 1ni7 n GLN 54 Ca -0.00 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 57.02 1ni7 n GLN 54 Cb 0.55 -1.72 0.02 0.00 0.00 0.00 0.00 30.24 29.09 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 -1.72 0.52 -2.54 -1.58 0.00 0.61 -4.68 120.51 111.13 1ni7 n ALA 55 Ca 0.06 -1.09 -0.30 0.00 0.00 0.00 0.00 53.44 52.11 1ni7 n ALA 55 Cb 0.41 0.38 -0.11 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.23 2.14 -1.10 0.00 1.02 0.59 -4.86 119.74 114.30 1ni7 s LYS 56 Ca 0.23 -0.98 -0.18 0.00 0.02 0.00 0.00 55.97 55.06 1ni7 s LYS 56 Cb -0.02 -2.28 0.12 0.00 -0.52 0.00 0.00 37.83 35.13 1ni7 s LYS 56 CO 0.15 0.53 1.38 -1.21 -0.92 0.00 0.00 175.35 175.28 1ni7 s GLU 57 N -1.85 3.83 0.25 1.68 2.02 -1.26 -1.70 118.70 121.67 1ni7 s GLU 57 Ca 0.18 -1.97 -0.30 0.00 0.02 0.00 0.00 54.97 52.90 1ni7 s GLU 57 Cb -0.11 -5.14 -0.10 0.00 0.10 0.00 0.00 34.13 28.88 1ni7 s GLU 57 CO 0.10 -1.92 1.37 0.42 0.02 0.00 0.00 175.26 175.25 1ni7 s ILE 58 N 2.95 2.83 -0.43 -1.63 1.01 -0.91 -4.93 121.20 120.08 1ni7 s ILE 58 Ca 0.42 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.82 1ni7 s ILE 58 Cb -0.02 -3.46 0.16 0.00 0.01 0.00 0.00 42.46 39.15 1ni7 s ILE 58 CO -0.03 0.13 0.31 0.00 0.00 0.00 0.00 174.94 175.34 1ni7 s ALA 59 N -0.23 1.65 0.00 9.38 0.00 -1.26 -3.07 121.76 128.23 1ni7 s ALA 59 Ca 0.56 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1ni7 s ALA 59 Cb -0.40 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1ni7 s ALA 59 CO 0.44 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.58 1ni7 n GLY 60 N 3.13 0.00 1.62 0.00 0.00 -1.26 -5.04 105.19 103.65 1ni7 n GLY 60 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ni7 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni7 n GLU 62 N -2.57 0.00 -2.95 0.00 -0.58 -1.26 -4.78 120.64 108.50 1ni7 n GLU 62 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1ni7 n GLU 62 Cb 0.13 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.99 1ni7 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ni7 n ASN 63 N 0.00 -0.94 -4.63 1.62 4.13 -1.26 -5.12 115.26 109.06 1ni7 n ASN 63 Ca 0.00 -2.11 -0.51 0.00 1.68 0.00 0.00 54.58 53.65 1ni7 n ASN 63 Cb 0.00 1.70 -0.06 0.00 -1.54 0.00 0.00 39.78 39.89 1ni7 n ASN 63 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1ni7 n ARG 64 N -0.34 1.47 -4.22 3.52 1.85 -1.26 -4.77 116.66 112.90 1ni7 n ARG 64 Ca -0.01 0.53 -0.18 0.00 -1.00 0.00 0.00 57.85 57.19 1ni7 n ARG 64 Cb 0.36 -2.22 -0.11 0.00 -1.05 0.00 0.00 32.46 29.43 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 1.18 1.27 -0.07 8.89 1.01 -1.18 -3.58 120.40 127.92 1ni7 s VAL 65 Ca 0.85 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1ni7 s VAL 65 Cb -0.88 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ni7 s VAL 65 CO 0.47 -0.34 0.14 0.26 0.00 0.00 0.00 175.10 175.63 1ni7 s TRP 66 N -1.83 -0.14 -0.01 5.22 0.51 -1.00 -2.14 118.94 119.55 1ni7 s TRP 66 Ca 0.05 0.53 0.01 0.00 -2.12 0.00 0.00 56.10 54.58 1ni7 s TRP 66 Cb -0.07 -0.26 0.01 0.00 -0.81 0.00 0.00 33.47 32.34 1ni7 s TRP 66 CO 0.03 -0.24 -0.03 -1.17 -0.51 0.00 0.00 176.95 175.03 1ni7 s LEU 67 N 2.07 1.78 -0.02 2.99 2.96 -0.69 -0.17 118.68 127.60 1ni7 s LEU 67 Ca 0.01 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1ni7 s LEU 67 Cb -0.12 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.36 1ni7 s LEU 67 CO -0.05 0.01 0.07 -0.83 -1.32 0.00 0.00 176.35 174.22 1ni7 s GLY 68 N 0.22 -0.03 0.24 7.98 0.00 0.81 0.22 107.32 116.77 1ni7 s GLY 68 Ca -0.02 0.14 -0.17 0.00 0.00 0.00 0.00 44.72 44.66 1ni7 s GLY 68 CO -0.00 0.10 0.57 -2.52 0.00 0.00 0.00 173.10 171.24 1ni7 s TYR 69 N -0.14 0.02 -0.15 1.90 -0.85 -1.26 0.65 117.35 117.53 1ni7 s TYR 69 Ca -0.02 -0.40 -0.23 0.00 -0.52 0.00 0.00 57.07 55.89 1ni7 s TYR 69 Cb -0.02 0.42 0.06 0.00 0.38 0.00 0.00 41.96 42.81 1ni7 s TYR 69 CO 0.00 -1.04 0.59 0.95 -1.52 0.00 0.00 175.55 174.53 1ni7 s THR 70 N -3.94 0.01 -0.16 -3.49 -4.23 -1.21 -4.98 115.64 97.64 1ni7 s THR 70 Ca 0.14 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.48 1ni7 s THR 70 Cb -0.02 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 1ni7 s THR 70 CO 0.04 -0.03 0.21 -0.69 -0.54 0.00 0.00 174.62 173.60 1ni7 s VAL 71 N -0.36 5.37 0.54 2.29 1.01 -1.26 -2.75 120.40 125.23 1ni7 s VAL 71 Ca -0.05 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1ni7 s VAL 71 Cb -0.03 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1ni7 s VAL 71 CO 0.04 0.46 0.76 0.00 0.00 0.00 0.00 175.10 176.37 1ni7 s ALA 72 N 0.07 3.88 0.31 5.51 0.00 -1.23 -4.91 121.76 125.39 1ni7 s ALA 72 Ca 0.13 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.85 1ni7 s ALA 72 Cb -0.12 -2.08 0.72 0.00 0.00 0.00 0.00 23.12 21.63 1ni7 s ALA 72 CO 0.02 -0.71 1.80 1.49 0.00 0.00 0.00 175.76 178.36 1ni7 h GLU 73 N 0.10 0.78 -0.07 0.00 4.81 -1.98 0.53 114.58 118.74 1ni7 h GLU 73 Ca -0.42 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 1ni7 h GLU 73 Cb 1.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1ni7 h GLU 73 CO 0.53 0.51 -0.46 -0.97 -0.73 0.00 0.00 179.01 177.89 1ni7 h ASN 74 N 0.80 0.19 0.00 1.04 -1.24 -2.03 -3.47 115.58 110.86 1ni7 h ASN 74 Ca 0.55 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.48 1ni7 h ASN 74 Cb 0.82 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1ni7 h ASN 74 CO -0.34 0.62 0.00 0.61 -1.29 0.00 0.00 177.43 177.03 1ni7 n GLY 75 N -0.11 1.44 3.39 1.57 0.00 0.18 -5.04 105.19 106.62 1ni7 n GLY 75 Ca -0.02 -0.23 -0.52 0.00 0.00 0.00 0.00 46.02 45.25 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 0.64 -2.13 1.61 5.02 -1.26 -4.16 118.16 117.88 1ni7 n LYS 76 Ca 0.00 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 1ni7 n LYS 76 Cb 0.00 -2.11 0.04 0.00 -0.02 0.00 0.00 35.03 32.93 1ni7 n LYS 76 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ni7 s MET 77 N 6.43 2.95 -0.24 1.97 1.75 -0.73 -3.57 119.30 127.85 1ni7 s MET 77 Ca 1.14 0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 55.81 1ni7 s MET 77 Cb -1.07 -2.15 0.09 0.00 2.84 0.00 0.00 34.83 34.55 1ni7 s MET 77 CO 0.54 -0.84 0.16 -1.01 -0.65 0.00 0.00 175.02 173.22 1ni7 s HIS 78 N -3.17 0.06 0.23 4.11 3.76 -1.11 -4.13 115.29 115.05 1ni7 s HIS 78 Ca 0.56 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.92 1ni7 s HIS 78 Cb -0.11 -0.68 -0.08 0.00 1.11 0.00 0.00 32.58 32.82 1ni7 s HIS 78 CO 0.49 -0.72 0.60 -0.06 -0.85 0.00 0.00 174.74 174.20 1ni7 s PHE 79 N 2.19 3.46 -0.30 1.40 0.08 -1.26 -3.32 117.98 120.23 1ni7 s PHE 79 Ca 0.07 1.02 -0.13 0.00 0.12 0.00 0.00 56.93 58.00 1ni7 s PHE 79 Cb -0.16 -2.36 0.14 0.00 -0.57 0.00 0.00 43.02 40.08 1ni7 s PHE 79 CO -0.24 0.26 0.83 -0.59 -0.10 0.00 0.00 175.22 175.38 1ni7 s PHE 80 N -1.77 -0.97 0.00 0.36 -0.71 0.21 -4.96 117.98 110.14 1ni7 s PHE 80 Ca 0.47 1.70 0.00 0.00 -1.04 0.00 0.00 56.93 58.06 1ni7 s PHE 80 Cb -0.12 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1ni7 s PHE 80 CO 0.20 -0.48 0.00 0.41 -1.34 0.00 0.00 175.22 174.01 1ni7 n GLY 81 N 5.05 2.86 1.77 1.99 0.00 -1.26 -0.13 105.19 115.47 1ni7 n GLY 81 Ca -0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 1ni7 n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni7 n ASP 82 N -0.25 -0.93 -3.61 1.61 9.92 0.76 -4.95 116.55 119.09 1ni7 n ASP 82 Ca 0.00 -1.57 -0.07 0.00 -0.53 0.00 0.00 54.79 52.62 1ni7 n ASP 82 Cb 0.00 1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 41.99 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ni7 s SER 83 N -2.06 -0.33 -0.08 -2.24 0.15 -1.26 -2.37 113.70 105.52 1ni7 s SER 83 Ca 0.09 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.29 1ni7 s SER 83 Cb -0.02 0.50 -0.27 0.00 -1.71 0.00 0.00 66.02 64.52 1ni7 s SER 83 CO 0.04 -0.86 0.91 -0.08 1.20 0.00 0.00 173.24 174.45 1ni7 h GLU 84 N 2.00 0.16 -6.29 5.44 4.22 -1.92 -3.44 114.58 114.74 1ni7 h GLU 84 Ca -0.25 -0.23 -0.57 0.00 0.08 0.00 0.00 59.36 58.40 1ni7 h GLU 84 Cb 1.25 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1ni7 h GLU 84 CO 0.30 1.04 1.17 0.20 -2.18 0.00 0.00 179.01 179.54 1ni7 s GLY 85 N -4.16 1.09 0.17 1.92 0.00 -1.26 -4.89 107.32 100.18 1ni7 s GLY 85 Ca -0.16 0.39 -0.25 0.00 0.00 0.00 0.00 44.72 44.71 1ni7 s GLY 85 CO 0.75 3.08 1.58 3.21 0.00 0.00 0.00 173.10 181.71 1ni7 h ARG 86 N 11.35 -0.23 -0.38 2.90 3.08 -1.90 1.48 114.38 130.68 1ni7 h ARG 86 Ca -0.34 0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.80 1ni7 h ARG 86 Cb 1.16 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.17 1ni7 h ARG 86 CO 1.01 -0.16 -0.42 0.97 -1.07 0.00 0.00 179.97 180.31 1ni7 h ILE 87 N -0.24 0.13 0.00 2.04 6.09 -1.82 1.16 117.51 124.86 1ni7 h ILE 87 Ca 0.18 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.65 1ni7 h ILE 87 Cb 0.56 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 37.98 1ni7 h ILE 87 CO -0.64 0.00 -0.07 0.58 -3.07 0.00 0.00 178.15 174.94 1ni7 h VAL 88 N -0.34 0.53 0.40 2.19 2.07 -1.45 0.14 116.25 119.80 1ni7 h VAL 88 Ca 0.13 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ni7 h VAL 88 Cb 0.58 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1ni7 h VAL 88 CO -0.55 0.07 -0.19 -0.09 0.02 0.00 0.00 177.57 176.83 1ni7 h ARG 89 N 0.00 -0.52 -0.48 1.57 2.43 0.98 -2.50 114.38 115.86 1ni7 h ARG 89 Ca -0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ni7 h ARG 89 Cb 0.21 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1ni7 h ARG 89 CO 0.01 -0.28 0.29 0.78 -1.51 0.00 0.00 179.97 179.26 1ni7 h GLY 90 N -1.09 0.71 0.03 2.80 0.00 0.10 -2.74 103.07 102.88 1ni7 h GLY 90 Ca -0.05 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.05 1ni7 h GLY 90 CO 0.09 0.29 -0.22 1.41 0.00 0.00 0.00 176.54 178.11 1ni7 h LEU 91 N 0.64 -0.74 -0.88 3.11 3.38 -0.82 0.19 115.31 120.19 1ni7 h LEU 91 Ca 0.17 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.52 1ni7 h LEU 91 Cb 0.01 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 1ni7 h LEU 91 CO -0.03 -0.25 0.33 0.25 0.09 0.00 0.00 178.44 178.83 1ni7 h LEU 92 N -0.17 0.19 -0.16 1.67 5.85 -1.14 -1.09 115.31 120.47 1ni7 h LEU 92 Ca 0.18 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.09 1ni7 h LEU 92 Cb 0.45 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1ni7 h LEU 92 CO -0.46 -0.07 -0.18 0.00 -0.34 0.00 0.00 178.44 177.39 1ni7 h ALA 93 N 1.74 -0.42 -0.83 1.25 0.00 -0.47 0.38 119.26 120.90 1ni7 h ALA 93 Ca 0.55 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.62 1ni7 h ALA 93 Cb 1.09 0.88 -0.15 0.00 0.00 0.00 0.00 17.79 19.61 1ni7 h ALA 93 CO -0.58 -0.51 -0.31 0.28 0.00 0.00 0.00 179.25 178.13 1ni7 h VAL 94 N -0.11 0.10 -0.07 0.00 2.07 -1.09 0.73 116.25 117.87 1ni7 h VAL 94 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1ni7 h VAL 94 Cb 0.19 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1ni7 h VAL 94 CO -0.21 0.00 -0.39 0.25 0.02 0.00 0.00 177.57 177.24 1ni7 h LEU 95 N -0.05 -1.23 -1.95 2.57 6.46 -0.54 1.21 115.31 121.79 1ni7 h LEU 95 Ca 0.34 0.14 0.21 0.00 -0.12 0.00 0.00 57.88 58.45 1ni7 h LEU 95 Cb 0.60 0.48 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1ni7 h LEU 95 CO -0.87 -0.35 0.53 -0.07 -0.62 0.00 0.00 178.44 177.06 1ni7 h LEU 96 N -0.43 0.04 -0.51 2.25 4.07 0.20 0.96 115.31 121.88 1ni7 h LEU 96 Ca 0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 1ni7 h LEU 96 Cb 0.50 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1ni7 h LEU 96 CO -0.30 0.02 -0.59 0.74 -1.08 0.00 0.00 178.44 177.22 1ni7 h THR 97 N 0.04 1.20 0.00 0.22 2.02 0.47 -2.06 112.91 114.80 1ni7 h THR 97 Ca 0.35 -2.22 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 1ni7 h THR 97 Cb 1.35 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1ni7 h THR 97 CO -0.02 0.58 -0.13 0.00 0.37 0.00 0.00 175.52 176.33 1ni7 h ALA 98 N 1.41 0.97 -0.26 6.16 0.00 0.91 -2.76 119.26 125.69 1ni7 h ALA 98 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1ni7 h ALA 98 Cb 1.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1ni7 h ALA 98 CO 0.08 0.16 -0.05 1.33 0.00 0.00 0.00 179.25 180.77 1ni7 n VAL 99 N -3.20 2.35 -1.68 0.00 0.24 -0.67 -4.90 118.33 110.47 1ni7 n VAL 99 Ca 0.02 -2.33 -0.48 0.00 -2.04 0.00 0.00 64.34 59.50 1ni7 n VAL 99 Cb 0.45 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.91 2.15 -3.29 7.34 0.00 -0.80 -2.99 120.64 122.14 1ni7 n GLU 100 Ca 0.26 0.79 -0.21 0.00 0.00 0.00 0.00 57.16 58.00 1ni7 n GLU 100 Cb 0.91 -2.62 0.01 0.00 0.00 0.00 0.00 31.44 29.74 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 4.25 -0.69 3.22 -1.84 0.00 -1.26 -4.95 105.19 103.92 1ni7 n GLY 101 Ca 0.22 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.69 1ni7 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni7 s LYS 102 N -3.58 0.92 0.17 1.61 1.02 -1.16 -4.93 119.74 113.79 1ni7 s LYS 102 Ca 0.07 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 54.80 1ni7 s LYS 102 Cb -0.01 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.55 1ni7 s LYS 102 CO 0.65 -0.29 0.46 0.95 -0.92 0.00 0.00 175.35 176.20 1ni7 s THR 103 N -3.95 5.03 0.25 2.17 -4.23 -1.26 -1.78 115.64 111.88 1ni7 s THR 103 Ca 0.13 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 1ni7 s THR 103 Cb 0.05 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.61 1ni7 s THR 103 CO -0.04 0.05 1.57 0.00 -0.54 0.00 0.00 174.62 175.66 1ni7 h ALA 104 N 2.92 0.47 -0.31 3.99 0.00 -1.96 0.65 119.26 125.02 1ni7 h ALA 104 Ca -0.47 0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ni7 h ALA 104 Cb 1.17 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.65 1ni7 h ALA 104 CO 0.70 -0.46 -0.28 0.00 0.00 0.00 0.00 179.25 179.21 1ni7 h ALA 105 N 1.74 -0.16 -0.45 0.00 0.00 -1.93 -0.32 119.26 118.14 1ni7 h ALA 105 Ca 0.40 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.49 1ni7 h ALA 105 Cb 0.64 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1ni7 h ALA 105 CO -0.93 -0.70 -0.09 0.93 0.00 0.00 0.00 179.25 178.47 1ni7 h GLU 106 N -0.26 0.02 -0.64 0.00 4.39 -0.18 0.48 114.58 118.40 1ni7 h GLU 106 Ca 0.15 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.98 1ni7 h GLU 106 Cb 0.50 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.05 1ni7 h GLU 106 CO -0.45 0.01 0.12 -0.07 -1.16 0.00 0.00 179.01 177.46 1ni7 h LEU 107 N 0.02 -0.04 -1.22 1.33 3.38 0.56 0.68 115.31 120.02 1ni7 h LEU 107 Ca 0.22 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1ni7 h LEU 107 Cb 0.33 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ni7 h LEU 107 CO -0.45 -0.02 -0.32 1.56 0.09 0.00 0.00 178.44 179.30 1ni7 h GLN 108 N 0.24 0.00 0.00 1.13 4.20 0.60 -1.79 115.11 119.48 1ni7 h GLN 108 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1ni7 h GLN 108 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ni7 h GLN 108 CO -0.45 0.32 0.00 0.00 -0.67 0.00 0.00 178.83 178.03 1ni7 h ALA 109 N 1.68 1.00 -2.51 3.87 0.00 0.48 -3.40 119.26 120.38 1ni7 h ALA 109 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1ni7 h ALA 109 Cb 0.72 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.14 1ni7 h ALA 109 CO 0.04 0.00 -0.68 -1.14 0.00 0.00 0.00 179.25 177.47 1ni7 s GLN 110 N -3.25 0.22 0.25 0.00 -0.44 0.15 -5.05 119.66 111.55 1ni7 s GLN 110 Ca 0.07 -0.13 -0.31 0.00 -2.50 0.00 0.00 55.36 52.49 1ni7 s GLN 110 Cb 0.08 -1.06 -0.13 0.00 -1.64 0.00 0.00 33.01 30.26 1ni7 s GLN 110 CO 0.60 -0.88 1.47 0.43 0.50 0.00 0.00 175.29 177.42 1ni7 n SER 111 N 5.29 3.10 0.13 6.67 7.64 -1.21 -4.57 113.62 130.67 1ni7 n SER 111 Ca -0.05 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.10 1ni7 n SER 111 Cb 0.46 -1.48 0.45 0.00 -1.01 0.00 0.00 64.21 62.64 1ni7 n SER 111 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ni7 h PRO 112 N 4.50 0.00 0.00 1.43 0.13 -1.91 -2.68 132.00 133.47 1ni7 h PRO 112 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ni7 h PRO 112 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ni7 h PRO 112 CO 0.78 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.48 1ni7 h LEU 113 N 0.00 0.00 0.64 1.56 3.38 -1.92 -3.17 115.31 115.81 1ni7 h LEU 113 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ni7 h LEU 113 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 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 2.00 -0.95 -0.98 1.53 0.00 -1.85 -1.77 119.26 117.24 1ni7 h ALA 114 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ni7 h ALA 114 Cb 0.62 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1ni7 h ALA 114 CO 0.00 -1.05 -0.57 -0.11 0.00 0.00 0.00 179.25 177.53 1ni7 n LEU 115 N -5.51 -1.02 -0.08 0.00 7.94 -1.20 0.13 117.00 117.27 1ni7 n LEU 115 Ca -0.13 1.75 -0.11 0.00 -1.11 0.00 0.00 56.01 56.41 1ni7 n LEU 115 Cb 0.40 -0.24 -0.05 0.00 0.53 0.00 0.00 43.42 44.06 1ni7 n LEU 115 CO 0.36 -1.43 0.58 -0.26 -1.11 0.00 0.00 177.39 175.53 1ni7 h PHE 116 N 0.00 -1.22 -0.52 1.96 0.04 -1.64 0.49 116.94 116.05 1ni7 h PHE 116 Ca 0.17 0.06 0.10 0.00 2.80 0.00 0.00 57.97 61.10 1ni7 h PHE 116 Cb 0.41 0.58 -0.03 0.00 2.20 0.00 0.00 35.95 39.11 1ni7 h PHE 116 CO -1.00 -0.45 0.35 0.22 -0.60 0.00 0.00 178.31 176.83 1ni7 h ASP 117 N -0.38 0.26 0.27 2.17 1.82 0.24 1.79 116.42 122.59 1ni7 h ASP 117 Ca 0.11 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1ni7 h ASP 117 Cb 0.60 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1ni7 h ASP 117 CO -0.51 0.16 -0.13 -0.33 -1.61 0.00 0.00 179.24 176.82 1ni7 h GLU 118 N 0.29 -0.35 0.00 0.28 4.39 0.55 -2.75 114.58 116.99 1ni7 h GLU 118 Ca 0.24 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ni7 h GLU 118 Cb 0.56 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1ni7 h GLU 118 CO -0.05 -0.06 0.00 1.28 -1.16 0.00 0.00 179.01 179.02 1ni7 n LEU 119 N -5.13 0.55 0.00 1.33 4.77 0.10 -4.87 117.00 113.75 1ni7 n LEU 119 Ca -0.09 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1ni7 n LEU 119 Cb 0.24 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ni7 n LEU 119 CO 0.32 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1ni7 n GLY 120 N 0.77 0.63 0.02 -0.72 0.00 0.51 -4.78 105.19 101.62 1ni7 n GLY 120 Ca 0.04 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.40 -1.14 0.99 4.77 0.41 -4.07 117.00 118.35 1ni7 n LEU 121 Ca 0.00 0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1ni7 n LEU 121 Cb 0.11 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1ni7 n LEU 121 CO 0.00 0.02 0.27 -1.14 -1.33 0.00 0.00 177.39 175.21 1ni7 n ARG 122 N -1.69 0.01 -0.01 3.23 0.63 -1.14 -4.79 116.66 112.90 1ni7 n ARG 122 Ca 0.06 -1.28 -0.12 0.00 -0.92 0.00 0.00 57.85 55.59 1ni7 n ARG 122 Cb 0.37 0.36 -0.08 0.00 0.45 0.00 0.00 32.46 33.56 1ni7 n ARG 122 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ni7 h ALA 123 N 0.28 0.07 0.00 5.13 0.00 -1.76 -3.34 119.26 119.63 1ni7 h ALA 123 Ca -0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1ni7 h ALA 123 Cb 1.54 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 1ni7 h ALA 123 CO -0.18 -0.29 -0.49 0.94 0.00 0.00 0.00 179.25 179.23 1ni7 n GLN 124 N -4.91 0.60 -1.58 0.00 -0.06 -1.26 -5.01 117.38 105.17 1ni7 n GLN 124 Ca -0.07 -2.03 -0.56 0.00 -2.00 0.00 0.00 57.00 52.34 1ni7 n GLN 124 Cb 0.16 -0.84 -0.07 0.00 -4.06 0.00 0.00 30.24 25.43 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 -0.45 1.04 -4.02 1.69 4.77 -1.25 -4.81 117.00 113.97 1ni7 n LEU 125 Ca 0.09 1.14 -0.36 0.00 -0.03 0.00 0.00 56.01 56.84 1ni7 n LEU 125 Cb 0.78 -1.06 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1ni7 n LEU 125 CO -0.01 -1.31 -1.30 -0.24 -1.33 0.00 0.00 177.39 173.20 1ni7 n SER 126 N 2.49 -5.74 0.30 -1.43 2.88 -1.26 -4.11 113.62 106.77 1ni7 n SER 126 Ca 0.21 0.18 -0.16 0.00 -1.33 0.00 0.00 58.87 57.76 1ni7 n SER 126 Cb 0.12 -0.77 -0.09 0.00 -0.75 0.00 0.00 64.21 62.72 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ni7 h ALA 127 N -1.03 -1.16 -0.26 -1.46 0.00 -1.97 1.11 119.26 114.49 1ni7 h ALA 127 Ca -0.44 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.31 1ni7 h ALA 127 Cb 1.30 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 1ni7 h ALA 127 CO 0.24 -1.16 -0.34 0.77 0.00 0.00 0.00 179.25 178.76 1ni7 h SER 128 N -0.95 -1.13 -0.07 0.00 0.02 -1.99 1.02 113.55 110.46 1ni7 h SER 128 Ca -0.07 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1ni7 h SER 128 Cb 0.80 0.46 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 1ni7 h SER 128 CO 0.00 -0.24 -0.35 0.03 -1.14 0.00 0.00 176.83 175.13 1ni7 h ARG 129 N -0.23 -0.45 -0.65 3.45 -0.00 -1.87 -1.39 114.38 113.26 1ni7 h ARG 129 Ca 0.05 0.03 0.14 0.00 -0.50 0.00 0.00 59.98 59.69 1ni7 h ARG 129 Cb 0.35 0.10 -0.11 0.00 0.00 0.00 0.00 29.97 30.31 1ni7 h ARG 129 CO -0.36 -0.30 -0.05 1.03 0.00 0.00 0.00 179.97 180.28 1ni7 h SER 130 N -0.46 -0.40 -0.77 7.04 0.87 0.21 0.93 113.55 120.97 1ni7 h SER 130 Ca 0.08 0.17 0.22 0.00 -1.23 0.00 0.00 61.79 61.03 1ni7 h SER 130 Cb 0.58 0.33 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1ni7 h SER 130 CO -0.33 -0.16 0.74 -0.61 -0.53 0.00 0.00 176.83 175.94 1ni7 h GLN 131 N 0.07 0.00 0.01 2.24 5.75 0.22 0.38 115.11 123.78 1ni7 h GLN 131 Ca 0.33 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.73 1ni7 h GLN 131 Cb 0.54 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.10 1ni7 h GLN 131 CO -0.60 0.00 -0.41 0.78 -2.65 0.00 0.00 178.83 175.95 1ni7 h GLY 132 N 0.00 0.30 0.53 2.39 0.00 0.12 -2.57 103.07 103.84 1ni7 h GLY 132 Ca 0.36 -0.54 0.09 0.00 0.00 0.00 0.00 47.33 47.24 1ni7 h GLY 132 CO -0.00 0.48 0.40 1.41 0.00 0.00 0.00 176.54 178.82 1ni7 h LEU 133 N -0.35 0.56 0.73 3.11 -0.00 0.05 0.64 115.31 120.05 1ni7 h LEU 133 Ca -0.05 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1ni7 h LEU 133 Cb 1.16 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1ni7 h LEU 133 CO 0.08 0.33 -0.35 -1.13 -0.00 0.00 0.00 178.44 177.36 1ni7 h ASN 134 N 0.69 -0.83 -0.44 -0.43 -0.73 -1.36 -2.11 115.58 110.37 1ni7 h ASN 134 Ca 0.36 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.61 1ni7 h ASN 134 Cb 0.33 0.22 -0.09 0.00 0.27 0.00 0.00 38.32 39.04 1ni7 h ASN 134 CO -0.24 -0.58 -0.50 0.00 -0.37 0.00 0.00 177.43 175.74 1ni7 h ALA 135 N -0.75 -0.59 -0.90 1.57 0.00 -0.98 1.32 119.26 118.92 1ni7 h ALA 135 Ca -0.10 0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1ni7 h ALA 135 Cb 0.76 1.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 1ni7 h ALA 135 CO 0.17 -0.96 -0.45 -0.07 0.00 0.00 0.00 179.25 177.94 1ni7 h LEU 136 N -0.35 -1.63 0.14 0.00 3.38 -0.79 0.33 115.31 116.39 1ni7 h LEU 136 Ca 0.11 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1ni7 h LEU 136 Cb 0.59 0.79 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ni7 h LEU 136 CO -0.61 -0.28 -0.07 -1.28 0.09 0.00 0.00 178.44 176.29 1ni7 h SER 137 N -0.05 -0.16 -1.28 -0.43 0.87 -0.27 -2.33 113.55 109.90 1ni7 h SER 137 Ca 0.26 -0.08 0.39 0.00 -1.23 0.00 0.00 61.79 61.13 1ni7 h SER 137 Cb 0.54 0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.43 1ni7 h SER 137 CO -0.90 -0.02 0.84 -0.33 -0.53 0.00 0.00 176.83 175.88 1ni7 h GLU 138 N -0.30 0.14 0.26 2.24 4.39 0.45 0.38 114.58 122.15 1ni7 h GLU 138 Ca -0.02 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ni7 h GLU 138 Cb 0.24 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1ni7 h GLU 138 CO 0.03 0.10 -0.42 0.00 -1.16 0.00 0.00 179.01 177.55 1ni7 h ALA 139 N 1.56 -0.84 -0.58 3.43 0.00 0.07 0.41 119.26 123.32 1ni7 h ALA 139 Ca 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.52 1ni7 h ALA 139 Cb 2.36 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 20.78 1ni7 h ALA 139 CO -0.34 -1.02 0.23 0.82 0.00 0.00 0.00 179.25 178.94 1ni7 h ILE 140 N -0.75 1.21 0.05 0.00 2.04 -0.40 -1.91 117.51 117.74 1ni7 h ILE 140 Ca -0.01 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1ni7 h ILE 140 Cb 0.72 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1ni7 h ILE 140 CO -0.16 0.25 -0.21 0.40 0.00 0.00 0.00 178.15 178.43 1ni7 h ILE 141 N 0.82 0.51 -0.70 -0.67 1.08 0.12 1.13 117.51 119.81 1ni7 h ILE 141 Ca 0.20 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.74 1ni7 h ILE 141 Cb 0.16 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 1ni7 h ILE 141 CO -0.02 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 177.81 1ni7 h ALA 142 N 0.48 0.95 0.51 1.87 0.00 0.17 0.67 119.26 123.91 1ni7 h ALA 142 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ni7 h ALA 142 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ni7 h ALA 142 CO -0.16 0.01 -0.24 0.00 0.00 0.00 0.00 179.25 178.86 1ni7 h ALA 143 N 1.39 -0.68 -0.71 0.00 0.00 -0.50 -2.87 119.26 115.88 1ni7 h ALA 143 Ca 0.33 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1ni7 h ALA 143 Cb 0.27 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1ni7 h ALA 143 CO -0.22 -0.83 0.33 1.79 0.00 0.00 0.00 179.25 180.33 1ni7 h THR 144 N -0.79 0.80 -1.16 0.00 1.35 0.18 0.22 112.91 113.51 1ni7 h THR 144 Ca -0.07 -0.19 0.33 0.00 -0.55 0.00 0.00 66.41 65.93 1ni7 h THR 144 Cb 0.57 0.20 -0.07 0.00 -1.73 0.00 0.00 68.15 67.12 1ni7 h THR 144 CO 0.11 0.10 0.81 0.11 -0.25 0.00 0.00 175.52 176.40 1ni7 h LYS 145 N 0.55 0.12 -0.02 4.72 1.57 0.55 1.59 116.57 125.66 1ni7 h LYS 145 Ca 0.36 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1ni7 h LYS 145 Cb 0.43 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1ni7 h LYS 145 CO -0.30 0.08 -0.45 0.37 -0.57 0.00 0.00 179.45 178.58 1ni7 h GLN 146 N 0.12 0.34 -0.03 3.15 -0.00 -0.40 -2.34 115.11 115.96 1ni7 h GLN 146 Ca 0.59 -0.34 -0.01 0.00 -0.00 0.00 0.00 58.65 58.90 1ni7 h GLN 146 Cb 2.08 0.09 -0.00 0.00 0.00 0.00 0.00 27.48 29.65 1ni7 h GLN 146 CO -0.12 1.02 -0.01 0.28 0.00 0.00 0.00 178.83 180.00 1ni7 h VAL 147 N -0.20 1.29 -0.24 2.39 2.07 0.42 -3.16 116.25 118.82 1ni7 h VAL 147 Ca -0.05 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.64 1ni7 h VAL 147 Cb 1.16 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 1ni7 h VAL 147 CO 0.09 0.24 -0.33 -0.07 0.02 0.00 0.00 177.57 177.52 1ni7 h LEU 148 N -0.30 -1.04 0.00 2.57 3.38 0.19 -3.51 115.31 116.60 1ni7 h LEU 148 Ca 0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ni7 h LEU 148 Cb 0.38 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ni7 h LEU 148 CO 0.00 -0.34 0.00 1.21 0.09 0.00 0.00 178.44 179.40