#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 4.69 -0.06 2.03 2.01 -1.26 -5.08 115.64 117.98 1ni7 s THR 2 Ca 0.00 1.10 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 1ni7 s THR 2 Cb 0.00 -3.81 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1ni7 s THR 2 CO 0.00 0.24 0.11 0.20 -0.69 0.00 0.00 174.62 174.49 1ni7 s ASN 3 N -1.65 0.61 0.86 3.53 0.01 -1.26 -5.15 114.94 111.89 1ni7 s ASN 3 Ca 0.40 0.22 -0.12 0.00 -0.71 0.00 0.00 52.86 52.65 1ni7 s ASN 3 Cb -0.16 0.10 0.11 0.00 0.41 0.00 0.00 41.25 41.71 1ni7 s ASN 3 CO 0.20 -0.21 1.12 -2.16 -1.51 0.00 0.00 177.10 174.54 1ni7 s PRO 4 N 1.90 1.57 0.00 -0.60 0.04 -1.26 -5.08 135.00 131.56 1ni7 s PRO 4 Ca -0.00 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1ni7 s PRO 4 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ni7 s PRO 4 CO -0.05 -1.94 0.00 0.94 0.04 0.00 0.00 177.00 176.00 1ni7 n GLN 5 N -3.61 0.00 -3.54 4.56 7.27 -1.26 -5.19 117.38 115.61 1ni7 n GLN 5 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.04 1ni7 n GLN 5 Cb 0.58 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.21 1ni7 n GLN 5 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1ni7 s PHE 6 N -3.55 -0.43 -0.67 3.69 5.36 -1.26 -5.10 117.98 116.03 1ni7 s PHE 6 Ca 0.00 0.17 0.06 0.00 -0.96 0.00 0.00 56.93 56.19 1ni7 s PHE 6 Cb 0.00 0.59 0.21 0.00 -0.34 0.00 0.00 43.02 43.48 1ni7 s PHE 6 CO 0.00 -0.90 0.62 0.00 -1.46 0.00 0.00 175.22 173.48 1ni7 n ALA 7 N -0.39 3.74 -1.70 11.12 0.00 -1.26 -5.06 120.51 126.96 1ni7 n ALA 7 Ca -0.13 -4.64 -0.66 0.00 0.00 0.00 0.00 53.44 48.01 1ni7 n ALA 7 Cb 0.63 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1ni7 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 8 N 1.40 0.24 3.52 0.00 0.00 -1.26 -4.87 105.19 104.23 1ni7 n GLY 8 Ca 0.25 1.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.86 1ni7 n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ni7 s HIS 9 N 3.36 3.14 -0.02 1.61 -3.43 -1.26 -4.60 115.29 114.09 1ni7 s HIS 9 Ca 1.06 -0.10 -0.22 0.00 -0.80 0.00 0.00 55.06 55.00 1ni7 s HIS 9 Cb -1.44 -3.05 -0.22 0.00 -1.43 0.00 0.00 32.58 26.43 1ni7 s HIS 9 CO 0.78 -0.71 1.10 -1.00 -2.00 0.00 0.00 174.74 172.92 1ni7 h PRO 10 N 8.70 0.29 -6.29 -0.38 0.13 -1.94 -3.37 132.00 129.13 1ni7 h PRO 10 Ca -0.27 -0.29 -0.62 0.00 -0.87 0.00 0.00 66.00 63.96 1ni7 h PRO 10 Cb 1.11 0.07 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1ni7 h PRO 10 CO 0.82 0.97 1.06 1.97 -0.23 0.00 0.00 178.00 182.59 1ni7 n PHE 11 N -4.40 2.31 0.00 1.56 1.16 -1.26 0.50 117.46 117.34 1ni7 n PHE 11 Ca -0.09 0.04 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 1ni7 n PHE 11 Cb 0.55 -2.65 0.00 0.00 -1.61 0.00 0.00 39.48 35.78 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 4.29 2.42 0.11 4.97 0.00 -0.63 -4.70 105.19 111.66 1ni7 n GLY 12 Ca 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1ni7 n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ni7 h THR 13 N 0.00 0.00 0.00 2.61 2.02 -1.27 -3.42 112.91 112.85 1ni7 h THR 13 Ca 0.00 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1ni7 h THR 13 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1ni7 h THR 13 CO 0.00 0.00 -1.33 0.41 0.37 0.00 0.00 175.52 174.97 1ni7 n THR 14 N -4.04 0.33 -3.00 3.16 -1.04 0.14 -4.78 114.28 105.05 1ni7 n THR 14 Ca -0.03 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 1ni7 n THR 14 Cb 0.08 -0.81 0.01 0.00 -1.82 0.00 0.00 70.33 67.79 1ni7 n THR 14 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ni7 n VAL 15 N -2.37 5.21 -2.02 12.58 0.31 0.18 -4.83 118.33 127.39 1ni7 n VAL 15 Ca -0.09 -5.80 -0.31 0.00 -0.01 0.00 0.00 64.34 58.13 1ni7 n VAL 15 Cb 0.64 -2.15 -0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.45 4.67 0.59 2.52 2.01 -1.26 -1.60 115.64 120.11 1ni7 s THR 16 Ca 0.32 0.96 0.29 0.00 0.31 0.00 0.00 61.69 63.56 1ni7 s THR 16 Cb 0.04 -3.83 0.39 0.00 0.01 0.00 0.00 72.50 69.10 1ni7 s THR 16 CO 0.08 -1.02 1.87 0.00 -0.69 0.00 0.00 174.62 174.86 1ni7 h ALA 17 N 0.02 2.25 0.00 7.40 0.00 -1.94 -0.17 119.26 126.82 1ni7 h ALA 17 Ca -0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ni7 h ALA 17 Cb 1.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ni7 h ALA 17 CO 0.62 -0.78 -0.00 1.49 0.00 0.00 0.00 179.25 180.57 1ni7 h GLU 18 N 0.00 0.00 -1.21 0.00 4.57 -1.95 -3.17 114.58 112.81 1ni7 h GLU 18 Ca 0.24 0.00 0.36 0.00 -1.18 0.00 0.00 59.36 58.77 1ni7 h GLU 18 Cb 1.29 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.77 1ni7 h GLU 18 CO -0.00 0.08 0.80 1.15 -1.18 0.00 0.00 179.01 179.85 1ni7 h THR 19 N -1.00 0.33 -0.67 0.32 2.02 -1.59 1.49 112.91 113.80 1ni7 h THR 19 Ca -0.00 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 1ni7 h THR 19 Cb 0.08 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1ni7 h THR 19 CO -0.00 0.04 0.13 -0.07 0.37 0.00 0.00 175.52 175.98 1ni7 h LEU 20 N 0.20 1.05 -1.39 2.58 3.38 -1.17 -1.78 115.31 118.18 1ni7 h LEU 20 Ca 0.69 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 1ni7 h LEU 20 Cb 2.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1ni7 h LEU 20 CO -0.29 1.03 -0.23 -0.09 0.09 0.00 0.00 178.44 178.94 1ni7 h ARG 21 N 1.03 0.00 -0.10 1.13 2.43 0.21 -1.17 114.38 117.90 1ni7 h ARG 21 Ca 0.21 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1ni7 h ARG 21 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1ni7 h ARG 21 CO 0.01 0.23 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.28 1ni7 h ASN 22 N 0.00 0.30 0.70 -3.80 2.35 -0.32 1.47 115.58 116.28 1ni7 h ASN 22 Ca -0.00 -0.15 -0.26 0.00 -0.55 0.00 0.00 56.30 55.33 1ni7 h ASN 22 Cb 0.62 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ni7 h ASN 22 CO 0.03 0.76 -1.22 0.74 -1.65 0.00 0.00 177.43 176.09 1ni7 h THR 23 N 0.22 1.51 0.00 2.81 2.02 -0.97 -3.30 112.91 115.20 1ni7 h THR 23 Ca 0.01 -3.12 -0.19 0.00 0.77 0.00 0.00 66.41 63.88 1ni7 h THR 23 Cb 0.97 2.91 -0.03 0.00 -1.74 0.00 0.00 68.15 70.26 1ni7 h THR 23 CO 0.08 0.90 -1.15 -0.26 0.37 0.00 0.00 175.52 175.46 1ni7 h PHE 24 N 0.06 0.00 -0.97 3.16 0.04 -1.09 -3.23 116.94 114.91 1ni7 h PHE 24 Ca -0.12 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.80 1ni7 h PHE 24 Cb 1.93 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.93 1ni7 h PHE 24 CO 0.05 0.76 -0.41 0.00 -0.60 0.00 0.00 178.31 178.10 1ni7 h ALA 25 N 1.24 0.06 -0.05 2.45 0.00 0.20 0.56 119.26 123.72 1ni7 h ALA 25 Ca -0.11 0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1ni7 h ALA 25 Cb 1.68 1.04 0.01 0.00 0.00 0.00 0.00 17.79 20.52 1ni7 h ALA 25 CO 0.08 -0.67 -0.72 -1.00 0.00 0.00 0.00 179.25 176.94 1ni7 h PRO 26 N -0.01 0.57 -5.99 0.00 0.13 -1.73 -3.41 132.00 121.56 1ni7 h PRO 26 Ca 0.32 -0.55 -0.50 0.00 -0.87 0.00 0.00 66.00 64.40 1ni7 h PRO 26 Cb 0.57 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.81 1ni7 h PRO 26 CO -0.96 1.17 1.35 -0.51 -0.23 0.00 0.00 178.00 178.82 1ni7 s LEU 27 N -8.35 3.28 0.02 1.56 1.43 0.19 -4.73 118.68 112.08 1ni7 s LEU 27 Ca -0.12 0.31 0.22 0.00 -1.03 0.00 0.00 54.13 53.52 1ni7 s LEU 27 Cb 0.06 -2.53 -0.23 0.00 0.03 0.00 0.00 46.19 43.51 1ni7 s LEU 27 CO 0.86 -2.37 0.67 0.35 0.23 0.00 0.00 176.35 176.10 1ni7 n THR 28 N 7.19 0.11 -2.98 5.49 -2.24 -1.26 -4.72 114.28 115.88 1ni7 n THR 28 Ca 0.20 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 1ni7 n THR 28 Cb 0.52 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1ni7 n THR 28 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ni7 s GLN 29 N -3.40 4.18 0.23 -0.78 -0.21 -1.26 -4.93 119.66 113.48 1ni7 s GLN 29 Ca -0.04 0.81 -0.12 0.00 0.02 0.00 0.00 55.36 56.03 1ni7 s GLN 29 Cb 0.14 -3.63 0.29 0.00 1.00 0.00 0.00 33.01 30.81 1ni7 s GLN 29 CO 0.88 -0.43 1.61 2.35 -2.12 0.00 0.00 175.29 177.57 1ni7 h TRP 30 N 7.67 -0.40 -1.11 0.91 7.01 -1.99 0.91 115.95 128.95 1ni7 h TRP 30 Ca -0.26 0.07 0.41 0.00 2.11 0.00 0.00 58.89 61.22 1ni7 h TRP 30 Cb 1.11 0.29 -0.14 0.00 -2.10 0.00 0.00 29.16 28.32 1ni7 h TRP 30 CO 0.74 -0.31 0.67 0.39 -2.79 0.00 0.00 178.44 177.14 1ni7 n GLU 31 N -5.48 -0.04 0.15 2.65 4.71 -1.26 0.98 120.64 122.35 1ni7 n GLU 31 Ca 0.10 1.20 -0.11 0.00 -0.01 0.00 0.00 57.16 58.34 1ni7 n GLU 31 Cb 0.37 -2.26 -0.06 0.00 -1.01 0.00 0.00 31.44 28.48 1ni7 n GLU 31 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1ni7 h ASP 32 N 0.00 -0.37 -0.09 1.62 3.32 0.45 -0.69 116.42 120.66 1ni7 h ASP 32 Ca 0.79 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.73 1ni7 h ASP 32 Cb 2.36 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 41.94 1ni7 h ASP 32 CO -0.55 0.08 -0.48 0.11 -1.72 0.00 0.00 179.24 176.69 1ni7 h LYS 33 N -0.99 -0.55 -0.40 3.56 1.57 0.89 0.87 116.57 121.52 1ni7 h LYS 33 Ca -0.05 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1ni7 h LYS 33 Cb 0.50 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1ni7 h LYS 33 CO 0.07 -0.37 0.29 -0.92 -0.57 0.00 0.00 179.45 177.95 1ni7 h TYR 34 N -0.57 0.01 0.36 -1.35 3.20 -0.25 0.45 116.97 118.81 1ni7 h TYR 34 Ca 0.05 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1ni7 h TYR 34 Cb 0.67 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1ni7 h TYR 34 CO -0.51 0.00 -0.17 0.00 -1.64 0.00 0.00 178.16 175.84 1ni7 h ARG 35 N 0.01 -0.46 -0.80 1.82 3.08 0.11 -3.23 114.38 114.90 1ni7 h ARG 35 Ca 0.19 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.36 1ni7 h ARG 35 Cb 0.75 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 1ni7 h ARG 35 CO -0.00 -0.31 0.52 0.37 -1.07 0.00 0.00 179.97 179.48 1ni7 h GLN 36 N -1.09 0.75 -1.02 0.04 -0.00 0.96 0.38 115.11 115.12 1ni7 h GLN 36 Ca -0.05 -0.05 0.26 0.00 -0.00 0.00 0.00 58.65 58.81 1ni7 h GLN 36 Cb 0.37 -0.17 -0.09 0.00 0.00 0.00 0.00 27.48 27.59 1ni7 h GLN 36 CO 0.08 0.50 0.66 -0.07 0.00 0.00 0.00 178.83 180.00 1ni7 h LEU 37 N 0.77 0.43 -0.48 -2.39 3.38 -0.18 0.75 115.31 117.60 1ni7 h LEU 37 Ca 0.36 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.32 1ni7 h LEU 37 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ni7 h LEU 37 CO -0.14 0.10 -0.03 0.40 0.09 0.00 0.00 178.44 178.86 1ni7 h ILE 38 N 0.39 1.27 -0.79 1.22 2.04 -0.93 -2.91 117.51 117.79 1ni7 h ILE 38 Ca 0.57 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1ni7 h ILE 38 Cb 1.46 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1ni7 h ILE 38 CO -0.27 0.39 0.46 -0.03 0.00 0.00 0.00 178.15 178.71 1ni7 h MET 39 N 0.73 1.09 -0.87 2.37 1.85 0.47 -2.55 114.93 118.02 1ni7 h MET 39 Ca 0.13 -0.11 0.20 0.00 -0.61 0.00 0.00 59.70 59.31 1ni7 h MET 39 Cb 0.56 -0.22 -0.16 0.00 0.43 0.00 0.00 31.60 32.20 1ni7 h MET 39 CO 0.03 0.78 -0.09 1.25 -0.40 0.00 0.00 176.91 178.48 1ni7 h LEU 40 N 1.09 -0.60 -0.21 3.39 7.12 -0.85 0.53 115.31 125.78 1ni7 h LEU 40 Ca 0.28 0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.54 1ni7 h LEU 40 Cb -0.01 0.48 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1ni7 h LEU 40 CO -0.05 -0.28 0.13 1.23 -0.13 0.00 0.00 178.44 179.35 1ni7 h GLY 41 N 0.03 0.31 0.14 3.75 0.00 -1.50 -2.20 103.07 103.61 1ni7 h GLY 41 Ca 0.47 -0.12 0.17 0.00 0.00 0.00 0.00 47.33 47.84 1ni7 h GLY 41 CO -0.84 0.12 0.48 0.50 0.00 0.00 0.00 176.54 176.79 1ni7 h LYS 42 N 0.27 0.62 -0.91 4.80 1.57 0.05 0.26 116.57 123.23 1ni7 h LYS 42 Ca 0.08 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1ni7 h LYS 42 Cb 0.00 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1ni7 h LYS 42 CO -0.02 0.41 0.59 1.96 -0.57 0.00 0.00 179.45 181.82 1ni7 h GLN 43 N 0.63 1.10 -6.92 3.15 4.20 -0.33 -3.42 115.11 113.51 1ni7 h GLN 43 Ca 0.51 -0.07 -0.55 0.00 0.06 0.00 0.00 58.65 58.60 1ni7 h GLN 43 Cb 0.77 -0.25 0.12 0.00 0.30 0.00 0.00 27.48 28.43 1ni7 h GLN 43 CO -0.39 0.73 0.63 1.28 -0.67 0.00 0.00 178.83 180.41 1ni7 n LEU 44 N -4.52 4.69 -4.79 1.46 4.32 0.91 -4.95 117.00 114.11 1ni7 n LEU 44 Ca 0.12 1.12 -0.35 0.00 -0.02 0.00 0.00 56.01 56.88 1ni7 n LEU 44 Cb 0.10 -1.57 -0.04 0.00 -1.62 0.00 0.00 43.42 40.30 1ni7 n LEU 44 CO 0.34 -0.31 0.72 -2.16 -1.22 0.00 0.00 177.39 174.76 1ni7 s PRO 45 N -2.33 3.94 -0.62 3.23 0.04 -1.26 -4.92 135.00 133.07 1ni7 s PRO 45 Ca 0.60 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 1ni7 s PRO 45 Cb -0.47 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1ni7 s PRO 45 CO 0.58 -0.32 2.12 0.00 0.04 0.00 0.00 177.00 179.42 1ni7 s ALA 46 N -1.85 1.76 -0.01 8.56 0.00 -1.26 -4.89 121.76 124.07 1ni7 s ALA 46 Ca 0.64 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1ni7 s ALA 46 Cb -0.19 -4.38 -0.08 0.00 0.00 0.00 0.00 23.12 18.48 1ni7 s ALA 46 CO 0.23 -4.42 1.90 -1.17 0.00 0.00 0.00 175.76 172.30 1ni7 s LEU 47 N 10.90 4.34 0.75 0.00 2.96 -1.26 -4.96 118.68 131.41 1ni7 s LEU 47 Ca 0.81 2.49 -0.11 0.00 -0.22 0.00 0.00 54.13 57.10 1ni7 s LEU 47 Cb -0.13 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1ni7 s LEU 47 CO 0.19 -1.08 1.08 -2.16 -1.32 0.00 0.00 176.35 173.05 1ni7 s PRO 48 N 4.48 2.45 0.51 0.98 0.04 -1.26 -4.87 135.00 137.32 1ni7 s PRO 48 Ca 0.85 0.77 0.22 0.00 0.04 0.00 0.00 61.00 62.89 1ni7 s PRO 48 Cb -0.39 -1.95 1.35 0.00 0.04 0.00 0.00 34.50 33.55 1ni7 s PRO 48 CO 0.38 -1.40 2.09 0.38 0.04 0.00 0.00 177.00 178.49 1ni7 h ASP 49 N -0.93 0.00 -0.40 6.66 3.04 -1.98 -0.88 116.42 121.93 1ni7 h ASP 49 Ca -0.46 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.32 1ni7 h ASP 49 Cb 1.24 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.52 1ni7 h ASP 49 CO 0.58 0.11 0.19 -0.08 -2.04 0.00 0.00 179.24 178.00 1ni7 h GLU 50 N 0.00 0.58 0.00 4.15 4.57 -2.00 -1.95 114.58 119.93 1ni7 h GLU 50 Ca -0.00 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 57.96 1ni7 h GLU 50 Cb 0.24 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1ni7 h GLU 50 CO 0.01 0.52 -0.62 -0.07 -1.18 0.00 0.00 179.01 177.67 1ni7 h LEU 51 N 0.51 0.00 -1.46 1.64 3.38 -1.75 -2.94 115.31 114.69 1ni7 h LEU 51 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ni7 h LEU 51 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1ni7 h LEU 51 CO -0.02 0.62 0.36 0.11 0.09 0.00 0.00 178.44 179.60 1ni7 h LYS 52 N 0.00 0.72 0.00 1.13 1.57 -0.63 0.35 116.57 119.72 1ni7 h LYS 52 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ni7 h LYS 52 Cb 1.20 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1ni7 h LYS 52 CO 0.08 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1ni7 n ALA 53 N -2.45 1.96 0.13 3.86 0.00 -0.78 -2.24 120.51 120.98 1ni7 n ALA 53 Ca 0.05 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1ni7 n ALA 53 Cb 0.05 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.12 1ni7 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ni7 h GLN 54 N 0.00 0.00 0.00 0.00 7.50 -0.34 -3.47 115.11 118.81 1ni7 h GLN 54 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1ni7 h GLN 54 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.05 1ni7 h GLN 54 CO 0.00 0.03 -0.01 0.00 -1.50 0.00 0.00 178.83 177.35 1ni7 n ALA 55 N -2.17 0.09 -2.70 3.87 0.00 -0.73 -4.75 120.51 114.12 1ni7 n ALA 55 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 1ni7 n ALA 55 Cb 0.57 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.21 2.56 0.04 0.00 1.02 0.60 -4.85 119.74 116.89 1ni7 s LYS 56 Ca 0.04 -0.92 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1ni7 s LYS 56 Cb -0.00 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1ni7 s LYS 56 CO 0.03 0.51 0.78 -1.21 -0.92 0.00 0.00 175.35 174.54 1ni7 s GLU 57 N -2.62 4.51 0.03 1.68 8.01 -1.26 -1.80 118.70 127.25 1ni7 s GLU 57 Ca 0.27 1.09 0.03 0.00 0.01 0.00 0.00 54.97 56.37 1ni7 s GLU 57 Cb -0.11 -3.38 -0.02 0.00 -4.31 0.00 0.00 34.13 26.32 1ni7 s GLU 57 CO 0.19 0.24 -0.08 0.42 0.01 0.00 0.00 175.26 176.04 1ni7 s ILE 58 N 0.09 0.62 -0.48 -1.63 1.01 0.64 -4.99 121.20 116.46 1ni7 s ILE 58 Ca 0.40 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1ni7 s ILE 58 Cb -0.20 -0.64 0.25 0.00 0.01 0.00 0.00 42.46 41.88 1ni7 s ILE 58 CO 0.23 -0.22 0.94 0.00 0.00 0.00 0.00 174.94 175.88 1ni7 n ALA 59 N 1.80 -1.40 -1.38 9.38 0.00 -1.26 0.88 120.51 128.53 1ni7 n ALA 59 Ca -0.20 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1ni7 n ALA 59 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ni7 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni7 n GLY 60 N 1.46 -1.61 0.38 0.00 0.00 -1.26 -4.87 105.19 99.29 1ni7 n GLY 60 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.92 0.00 -3.42 0.00 2.13 -1.26 -4.74 120.64 109.43 1ni7 n GLU 62 Ca -0.38 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.33 1ni7 n GLU 62 Cb 0.75 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.44 1ni7 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ni7 n ASN 63 N 0.00 -0.95 -4.52 4.31 3.02 -1.26 -5.08 115.26 110.78 1ni7 n ASN 63 Ca 0.00 -2.45 -0.49 0.00 -0.03 0.00 0.00 54.58 51.61 1ni7 n ASN 63 Cb 0.00 1.82 -0.04 0.00 -0.61 0.00 0.00 39.78 40.95 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 -0.44 0.72 -3.77 3.52 5.12 -1.26 -4.54 116.66 116.01 1ni7 n ARG 64 Ca 0.01 0.26 -0.20 0.00 -1.93 0.00 0.00 57.85 55.99 1ni7 n ARG 64 Cb 0.44 -1.58 -0.17 0.00 -1.16 0.00 0.00 32.46 29.99 1ni7 n ARG 64 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ni7 s VAL 65 N -0.61 0.10 -0.09 1.55 1.01 0.25 -3.22 120.40 119.41 1ni7 s VAL 65 Ca 0.69 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1ni7 s VAL 65 Cb -0.89 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ni7 s VAL 65 CO 0.56 0.19 -0.16 0.26 0.00 0.00 0.00 175.10 175.94 1ni7 s TRP 66 N 1.74 2.69 -0.13 5.22 0.51 -0.73 0.23 118.94 128.47 1ni7 s TRP 66 Ca 0.00 -0.52 -0.09 0.00 -2.12 0.00 0.00 56.10 53.37 1ni7 s TRP 66 Cb -0.13 -1.72 0.05 0.00 -0.81 0.00 0.00 33.47 30.86 1ni7 s TRP 66 CO -0.03 -0.09 0.33 -1.17 -0.51 0.00 0.00 176.95 175.48 1ni7 s LEU 67 N -0.10 0.33 -0.00 2.99 2.96 -0.74 -0.04 118.68 124.08 1ni7 s LEU 67 Ca -0.03 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1ni7 s LEU 67 Cb -0.14 1.09 -0.00 0.00 0.50 0.00 0.00 46.19 47.64 1ni7 s LEU 67 CO 0.04 -0.16 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.06 1ni7 s GLY 68 N 0.96 0.10 0.15 7.98 0.00 0.26 0.22 107.32 116.99 1ni7 s GLY 68 Ca -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 1ni7 s GLY 68 CO -0.07 -0.05 0.29 -2.52 0.00 0.00 0.00 173.10 170.75 1ni7 s TYR 69 N -0.01 0.29 0.07 1.90 -0.85 -1.26 0.66 117.35 118.15 1ni7 s TYR 69 Ca 0.00 -0.67 -0.08 0.00 -0.52 0.00 0.00 57.07 55.80 1ni7 s TYR 69 Cb -0.01 -0.01 -0.00 0.00 0.38 0.00 0.00 41.96 42.31 1ni7 s TYR 69 CO -0.00 -0.70 0.18 0.95 -1.52 0.00 0.00 175.55 174.45 1ni7 s THR 70 N -3.94 0.13 0.31 -3.49 -4.23 -1.22 -4.96 115.64 98.24 1ni7 s THR 70 Ca 0.14 -1.09 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 1ni7 s THR 70 Cb 0.03 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.66 1ni7 s THR 70 CO -0.03 -0.60 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.72 1ni7 s VAL 71 N -3.29 2.80 0.28 2.29 1.01 -1.26 -2.62 120.40 119.60 1ni7 s VAL 71 Ca 0.01 -2.05 0.03 0.00 0.00 0.00 0.00 61.98 59.96 1ni7 s VAL 71 Cb 0.02 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1ni7 s VAL 71 CO -0.08 -0.29 0.30 0.00 0.00 0.00 0.00 175.10 175.04 1ni7 n ALA 72 N -0.87 0.22 -0.04 5.51 0.00 -1.26 -4.96 120.51 119.12 1ni7 n ALA 72 Ca -0.05 -1.47 -0.09 0.00 0.00 0.00 0.00 53.44 51.83 1ni7 n ALA 72 Cb 0.61 1.19 -0.02 0.00 0.00 0.00 0.00 19.45 21.23 1ni7 n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni7 h GLU 73 N 0.00 -0.26 0.00 0.00 4.22 -2.01 0.52 114.58 117.06 1ni7 h GLU 73 Ca -0.20 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.25 1ni7 h GLU 73 Cb 0.97 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1ni7 h GLU 73 CO 0.29 -0.17 0.00 -0.91 -2.18 0.00 0.00 179.01 176.04 1ni7 h ASN 74 N -0.26 0.00 0.00 1.04 2.35 -2.04 -3.45 115.58 113.21 1ni7 h ASN 74 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1ni7 h ASN 74 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1ni7 h ASN 74 CO -0.37 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.02 1ni7 n GLY 75 N -0.46 2.76 3.53 2.83 0.00 0.18 -4.89 105.19 109.14 1ni7 n GLY 75 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 0.37 -1.61 1.61 5.02 -1.26 -4.35 118.16 115.93 1ni7 n LYS 76 Ca 0.00 -0.28 -0.31 0.00 -2.02 0.00 0.00 58.31 55.70 1ni7 n LYS 76 Cb 0.00 -2.41 0.05 0.00 -0.02 0.00 0.00 35.03 32.65 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 8.22 3.00 -0.25 1.97 -1.94 -0.78 -4.49 119.30 125.02 1ni7 s MET 77 Ca 1.14 0.95 -0.02 0.00 -1.71 0.00 0.00 55.69 56.05 1ni7 s MET 77 Cb -0.57 -2.00 0.08 0.00 2.01 0.00 0.00 34.83 34.36 1ni7 s MET 77 CO 0.34 -1.05 0.08 -1.01 -0.01 0.00 0.00 175.02 173.37 1ni7 s HIS 78 N -3.03 1.10 0.27 -0.03 3.76 -1.08 -4.01 115.29 112.27 1ni7 s HIS 78 Ca 0.58 -1.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.14 1ni7 s HIS 78 Cb -0.14 -1.23 -0.09 0.00 1.11 0.00 0.00 32.58 32.23 1ni7 s HIS 78 CO 0.54 -0.74 0.78 -0.06 -0.85 0.00 0.00 174.74 174.41 1ni7 s PHE 79 N 1.83 3.58 -0.29 1.40 0.40 -1.26 -3.45 117.98 120.19 1ni7 s PHE 79 Ca 0.05 1.45 -0.14 0.00 -0.60 0.00 0.00 56.93 57.68 1ni7 s PHE 79 Cb -0.17 -2.68 0.13 0.00 0.51 0.00 0.00 43.02 40.81 1ni7 s PHE 79 CO -0.20 0.24 0.84 -0.59 0.70 0.00 0.00 175.22 176.21 1ni7 s PHE 80 N -1.67 -0.89 0.00 0.36 -0.12 0.21 -4.97 117.98 110.90 1ni7 s PHE 80 Ca 0.48 1.65 0.00 0.00 -0.05 0.00 0.00 56.93 59.01 1ni7 s PHE 80 Cb -0.15 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1ni7 s PHE 80 CO 0.20 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.34 1ni7 n GLY 81 N 4.53 2.87 2.25 1.99 0.00 -1.26 0.90 105.19 116.47 1ni7 n GLY 81 Ca -0.15 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 1ni7 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ni7 n ASP 82 N 0.00 -1.12 -3.50 1.61 5.75 0.94 -4.92 116.55 115.31 1ni7 n ASP 82 Ca 0.00 -1.65 -0.09 0.00 -0.01 0.00 0.00 54.79 53.04 1ni7 n ASP 82 Cb 0.00 1.84 -0.02 0.00 -1.03 0.00 0.00 41.12 41.91 1ni7 n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ni7 s SER 83 N -2.37 -0.41 -0.06 -1.12 0.15 -1.26 -1.78 113.70 106.85 1ni7 s SER 83 Ca 0.12 -0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.51 1ni7 s SER 83 Cb -0.02 0.46 -0.31 0.00 -1.71 0.00 0.00 66.02 64.45 1ni7 s SER 83 CO 0.04 -0.76 0.85 -0.08 1.20 0.00 0.00 173.24 174.50 1ni7 h GLU 84 N 2.00 0.27 -6.47 5.44 4.22 -1.88 -3.44 114.58 114.73 1ni7 h GLU 84 Ca -0.26 -0.47 -0.53 0.00 0.08 0.00 0.00 59.36 58.18 1ni7 h GLU 84 Cb 1.26 0.17 0.03 0.00 0.50 0.00 0.00 28.75 30.71 1ni7 h GLU 84 CO 0.32 1.22 1.06 0.20 -2.18 0.00 0.00 179.01 179.64 1ni7 s GLY 85 N -4.46 1.45 0.10 1.92 0.00 -1.26 -4.88 107.32 100.19 1ni7 s GLY 85 Ca -0.15 1.31 -0.34 0.00 0.00 0.00 0.00 44.72 45.54 1ni7 s GLY 85 CO 0.82 3.04 1.57 3.21 0.00 0.00 0.00 173.10 181.74 1ni7 h ARG 86 N 8.61 -0.84 -0.58 2.90 3.08 -1.92 1.45 114.38 127.07 1ni7 h ARG 86 Ca -0.44 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 1ni7 h ARG 86 Cb 1.21 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 1ni7 h ARG 86 CO 0.94 -0.56 0.25 0.97 -1.07 0.00 0.00 179.97 180.49 1ni7 h ILE 87 N -0.88 1.22 -0.40 2.04 -0.00 -1.85 -1.35 117.51 116.29 1ni7 h ILE 87 Ca -0.03 -0.68 0.05 0.00 -0.00 0.00 0.00 64.86 64.20 1ni7 h ILE 87 Cb 0.80 0.58 -0.04 0.00 -0.00 0.00 0.00 36.82 38.16 1ni7 h ILE 87 CO -0.14 0.26 0.14 0.58 -0.00 0.00 0.00 178.15 178.99 1ni7 h VAL 88 N 0.80 0.88 0.71 2.19 2.07 -1.80 0.63 116.25 121.73 1ni7 h VAL 88 Ca 0.20 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1ni7 h VAL 88 Cb 0.18 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ni7 h VAL 88 CO -0.02 0.05 -0.50 -0.09 0.02 0.00 0.00 177.57 177.04 1ni7 h ARG 89 N 0.30 -1.11 -0.96 1.57 2.43 0.24 -1.54 114.38 115.31 1ni7 h ARG 89 Ca 0.19 0.08 0.23 0.00 -0.81 0.00 0.00 59.98 59.66 1ni7 h ARG 89 Cb 0.17 0.25 -0.12 0.00 -0.42 0.00 0.00 29.97 29.85 1ni7 h ARG 89 CO -0.19 -0.74 0.51 0.78 -1.51 0.00 0.00 179.97 178.82 1ni7 h GLY 90 N -1.16 1.74 0.66 2.80 0.00 -0.99 0.85 103.07 106.97 1ni7 h GLY 90 Ca -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1ni7 h GLY 90 CO 0.06 -0.23 -0.15 1.41 0.00 0.00 0.00 176.54 177.63 1ni7 h LEU 91 N 0.53 -0.43 -0.92 3.11 3.38 -0.38 -1.19 115.31 119.42 1ni7 h LEU 91 Ca 0.60 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.87 1ni7 h LEU 91 Cb 1.12 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.91 1ni7 h LEU 91 CO -0.48 -0.21 0.40 0.25 0.09 0.00 0.00 178.44 178.49 1ni7 h LEU 92 N -0.26 0.32 0.01 1.67 6.46 0.16 -0.90 115.31 122.77 1ni7 h LEU 92 Ca 0.04 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1ni7 h LEU 92 Cb 0.31 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1ni7 h LEU 92 CO -0.13 -0.05 -0.20 0.00 -0.62 0.00 0.00 178.44 177.44 1ni7 h ALA 93 N 1.75 -0.68 -0.97 1.25 0.00 -0.77 0.25 119.26 120.09 1ni7 h ALA 93 Ca 0.60 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.69 1ni7 h ALA 93 Cb 1.19 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 19.46 1ni7 h ALA 93 CO -0.57 -0.74 -0.16 0.28 0.00 0.00 0.00 179.25 178.06 1ni7 n VAL 94 N -3.61 -0.41 -0.06 0.00 0.31 -0.39 0.16 118.33 114.33 1ni7 n VAL 94 Ca -0.03 2.19 -0.07 0.00 -0.01 0.00 0.00 64.34 66.42 1ni7 n VAL 94 Cb 0.15 -3.08 -0.01 0.00 -0.91 0.00 0.00 33.84 29.99 1ni7 n VAL 94 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ni7 h LEU 95 N 0.00 -0.57 -2.08 7.52 6.46 -0.66 0.51 115.31 126.49 1ni7 h LEU 95 Ca 0.50 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.37 1ni7 h LEU 95 Cb 0.86 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1ni7 h LEU 95 CO -0.97 -0.21 -0.05 -0.07 -0.62 0.00 0.00 178.44 176.52 1ni7 h LEU 96 N -0.15 0.00 -0.56 2.25 4.07 0.35 0.72 115.31 121.99 1ni7 h LEU 96 Ca 0.15 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 1ni7 h LEU 96 Cb 0.37 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1ni7 h LEU 96 CO -0.37 0.05 -0.54 0.74 -1.08 0.00 0.00 178.44 177.24 1ni7 h THR 97 N 0.00 1.11 -0.02 0.22 2.02 0.40 -2.47 112.91 114.17 1ni7 h THR 97 Ca -0.00 -2.07 -0.20 0.00 0.77 0.00 0.00 66.41 64.90 1ni7 h THR 97 Cb 0.10 2.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1ni7 h THR 97 CO 0.01 0.53 -0.85 0.00 0.37 0.00 0.00 175.52 175.58 1ni7 h ALA 98 N 1.46 0.49 -0.92 6.16 0.00 0.20 -3.07 119.26 123.58 1ni7 h ALA 98 Ca -0.01 -0.68 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 1ni7 h ALA 98 Cb 1.17 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 1ni7 h ALA 98 CO 0.07 0.83 0.60 1.33 0.00 0.00 0.00 179.25 182.08 1ni7 n VAL 99 N -3.74 3.23 -1.54 0.00 0.24 -0.74 -4.95 118.33 110.82 1ni7 n VAL 99 Ca -0.05 -2.30 -0.26 0.00 -2.04 0.00 0.00 64.34 59.69 1ni7 n VAL 99 Cb 0.78 -0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 32.44 1ni7 n VAL 99 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ni7 n GLU 100 N -1.08 0.59 -3.32 7.34 0.00 -0.94 -3.33 120.64 119.89 1ni7 n GLU 100 Ca 0.57 -0.34 -0.29 0.00 0.00 0.00 0.00 57.16 57.11 1ni7 n GLU 100 Cb 1.36 -3.00 0.03 0.00 0.00 0.00 0.00 31.44 29.83 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 6.32 -0.29 3.31 8.31 0.00 -1.26 -5.01 105.19 116.57 1ni7 n GLY 101 Ca 0.49 1.12 -0.10 0.00 0.00 0.00 0.00 46.02 47.52 1ni7 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ni7 s LYS 102 N -2.40 1.22 0.23 1.61 1.02 -1.21 -4.90 119.74 115.31 1ni7 s LYS 102 Ca 0.33 -1.41 -0.14 0.00 0.02 0.00 0.00 55.97 54.77 1ni7 s LYS 102 Cb -0.04 0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 37.52 1ni7 s LYS 102 CO 0.80 -0.43 0.64 0.95 -0.92 0.00 0.00 175.35 176.39 1ni7 s THR 103 N -4.06 4.76 0.17 2.17 -4.23 -1.26 -1.87 115.64 111.32 1ni7 s THR 103 Ca 0.28 0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 61.42 1ni7 s THR 103 Cb 0.04 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.26 1ni7 s THR 103 CO 0.07 0.04 1.58 0.00 -0.54 0.00 0.00 174.62 175.76 1ni7 h ALA 104 N 2.91 -0.21 -0.56 3.99 0.00 -1.93 0.12 119.26 123.58 1ni7 h ALA 104 Ca -0.48 0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.66 1ni7 h ALA 104 Cb 1.18 0.86 -0.11 0.00 0.00 0.00 0.00 17.79 19.73 1ni7 h ALA 104 CO 0.66 -0.76 -0.36 0.00 0.00 0.00 0.00 179.25 178.79 1ni7 h ALA 105 N 0.76 -0.14 -0.55 0.00 0.00 -1.94 0.12 119.26 117.52 1ni7 h ALA 105 Ca 0.20 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.36 1ni7 h ALA 105 Cb 0.56 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 1ni7 h ALA 105 CO -0.66 -0.72 -0.23 0.93 0.00 0.00 0.00 179.25 178.56 1ni7 h GLU 106 N -0.19 -0.09 -0.54 0.00 4.39 -1.20 0.20 114.58 117.14 1ni7 h GLU 106 Ca 0.21 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.02 1ni7 h GLU 106 Cb 0.55 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 1ni7 h GLU 106 CO -0.66 -0.06 -0.09 -0.07 -1.16 0.00 0.00 179.01 176.97 1ni7 h LEU 107 N -0.10 -0.42 -1.88 1.33 3.38 0.58 0.77 115.31 118.98 1ni7 h LEU 107 Ca 0.25 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1ni7 h LEU 107 Cb 0.49 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ni7 h LEU 107 CO -0.62 -0.15 -0.06 1.56 0.09 0.00 0.00 178.44 179.26 1ni7 h GLN 108 N 0.03 0.00 0.00 1.13 4.20 0.53 0.16 115.11 121.17 1ni7 h GLN 108 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1ni7 h GLN 108 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1ni7 h GLN 108 CO -0.52 0.06 -0.02 0.00 -0.67 0.00 0.00 178.83 177.68 1ni7 h ALA 109 N 1.94 0.99 -2.45 3.87 0.00 0.30 -3.41 119.26 120.51 1ni7 h ALA 109 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1ni7 h ALA 109 Cb 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.54 1ni7 h ALA 109 CO 0.01 0.00 -0.66 -1.14 0.00 0.00 0.00 179.25 177.46 1ni7 s GLN 110 N -3.17 0.24 0.47 0.00 0.74 0.18 -5.06 119.66 113.06 1ni7 s GLN 110 Ca 0.08 -0.07 -0.24 0.00 0.05 0.00 0.00 55.36 55.18 1ni7 s GLN 110 Cb 0.08 -1.01 -0.07 0.00 1.10 0.00 0.00 33.01 33.11 1ni7 s GLN 110 CO 0.65 -0.87 1.30 -1.54 -0.55 0.00 0.00 175.29 174.28 1ni7 s SER 111 N 2.29 5.86 0.42 6.67 1.04 -1.13 -4.43 113.70 124.42 1ni7 s SER 111 Ca 0.08 2.62 0.23 0.00 0.48 0.00 0.00 55.95 59.36 1ni7 s SER 111 Cb -0.15 -2.63 0.66 0.00 0.10 0.00 0.00 66.02 64.00 1ni7 s SER 111 CO -0.24 -1.15 1.71 1.55 0.98 0.00 0.00 173.24 176.08 1ni7 h PRO 112 N 2.04 0.00 -0.23 4.02 0.13 -1.93 -2.99 132.00 133.04 1ni7 h PRO 112 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ni7 h PRO 112 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ni7 h PRO 112 CO 0.60 0.22 0.13 -0.07 -0.23 0.00 0.00 178.00 178.65 1ni7 h LEU 113 N 0.00 0.27 -0.61 1.56 3.38 -1.97 -2.29 115.31 115.64 1ni7 h LEU 113 Ca -0.00 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1ni7 h LEU 113 Cb 0.92 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1ni7 h LEU 113 CO 0.03 0.21 -0.26 0.00 0.09 0.00 0.00 178.44 178.51 1ni7 h ALA 114 N 1.83 0.17 0.23 1.53 0.00 -1.91 0.37 119.26 121.47 1ni7 h ALA 114 Ca 0.08 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ni7 h ALA 114 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1ni7 h ALA 114 CO -0.01 -0.56 -0.52 1.25 0.00 0.00 0.00 179.25 179.40 1ni7 h LEU 115 N -0.10 -1.54 -0.63 0.00 6.46 -1.62 1.48 115.31 119.37 1ni7 h LEU 115 Ca 0.27 0.15 0.13 0.00 -0.12 0.00 0.00 57.88 58.31 1ni7 h LEU 115 Cb 0.53 0.55 -0.12 0.00 -0.73 0.00 0.00 40.66 40.89 1ni7 h LEU 115 CO -0.68 -0.59 -0.15 -0.26 -0.62 0.00 0.00 178.44 176.14 1ni7 h PHE 116 N -0.83 -0.33 -0.47 1.25 0.04 -1.16 0.78 116.94 116.23 1ni7 h PHE 116 Ca -0.02 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1ni7 h PHE 116 Cb 0.80 0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.17 1ni7 h PHE 116 CO -0.40 -0.27 0.16 0.22 -0.60 0.00 0.00 178.31 177.42 1ni7 h ASP 117 N 0.00 0.66 -0.52 2.17 1.82 0.38 1.79 116.42 122.73 1ni7 h ASP 117 Ca 0.30 -0.19 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1ni7 h ASP 117 Cb 0.46 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 1ni7 h ASP 117 CO -0.64 0.68 0.28 -0.33 -1.61 0.00 0.00 179.24 177.61 1ni7 h GLU 118 N 0.61 0.52 0.00 0.28 4.39 0.47 -1.09 114.58 119.77 1ni7 h GLU 118 Ca 0.15 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1ni7 h GLU 118 Cb 0.24 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ni7 h GLU 118 CO -0.01 0.34 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.53 1ni7 h LEU 119 N 0.54 0.00 -0.02 1.33 3.38 0.74 -3.47 115.31 117.80 1ni7 h LEU 119 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ni7 h LEU 119 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ni7 h LEU 119 CO -0.15 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1ni7 n GLY 120 N 0.61 1.60 0.08 0.83 0.00 0.30 -5.02 105.19 103.59 1ni7 n GLY 120 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.99 3.38 0.20 -3.29 115.31 116.59 1ni7 h LEU 121 Ca 0.00 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ni7 h LEU 121 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ni7 h LEU 121 CO 0.00 1.05 -0.00 -0.09 0.09 0.00 0.00 178.44 179.49 1ni7 h ARG 122 N -1.00 -0.00 -0.93 1.13 2.43 -1.88 -1.49 114.38 112.65 1ni7 h ARG 122 Ca -0.13 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.30 1ni7 h ARG 122 Cb 0.84 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.23 1ni7 h ARG 122 CO -0.08 0.87 0.15 0.00 -1.51 0.00 0.00 179.97 179.40 1ni7 h ALA 123 N -0.10 1.27 0.03 2.80 0.00 -1.80 0.10 119.26 121.56 1ni7 h ALA 123 Ca -0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ni7 h ALA 123 Cb 0.88 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ni7 h ALA 123 CO 0.00 -0.56 -0.01 0.37 0.00 0.00 0.00 179.25 179.05 1ni7 h GLN 124 N 0.09 -0.04 -6.23 0.00 5.75 -1.65 -3.45 115.11 109.57 1ni7 h GLN 124 Ca 0.59 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 58.47 1ni7 h GLN 124 Cb 1.24 0.01 0.13 0.00 1.07 0.00 0.00 27.48 29.93 1ni7 h GLN 124 CO -0.79 0.64 -0.41 1.28 -2.65 0.00 0.00 178.83 176.89 1ni7 n LEU 125 N -4.77 -0.38 0.00 -2.39 4.77 0.36 -4.92 117.00 109.67 1ni7 n LEU 125 Ca -0.09 0.99 -0.15 0.00 -0.03 0.00 0.00 56.01 56.73 1ni7 n LEU 125 Cb 0.34 -1.08 0.15 0.00 -2.33 0.00 0.00 43.42 40.50 1ni7 n LEU 125 CO 0.31 -2.83 0.18 -1.20 -1.33 0.00 0.00 177.39 172.53 1ni7 n SER 126 N 1.58 -3.00 -0.08 -1.43 7.64 -1.26 -4.80 113.62 112.27 1ni7 n SER 126 Ca 0.13 -0.46 -0.17 0.00 1.01 0.00 0.00 58.87 59.38 1ni7 n SER 126 Cb 0.35 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 62.93 1ni7 n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ni7 h ALA 127 N -2.80 0.08 -0.16 -0.43 0.00 -1.93 -2.80 119.26 111.22 1ni7 h ALA 127 Ca -0.20 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.01 1ni7 h ALA 127 Cb 0.66 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1ni7 h ALA 127 CO 0.12 0.23 -0.32 1.03 0.00 0.00 0.00 179.25 180.31 1ni7 h SER 128 N -0.97 -1.05 -0.66 0.00 0.87 -2.01 0.02 113.55 109.76 1ni7 h SER 128 Ca -0.11 0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1ni7 h SER 128 Cb 1.12 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 63.43 1ni7 h SER 128 CO -0.06 -0.26 0.30 0.03 -0.53 0.00 0.00 176.83 176.32 1ni7 h ARG 129 N -0.28 0.51 -1.06 2.24 3.08 -1.94 0.23 114.38 117.15 1ni7 h ARG 129 Ca 0.03 -0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.34 1ni7 h ARG 129 Cb 0.37 -0.11 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 1ni7 h ARG 129 CO -0.30 0.34 0.67 0.77 -1.07 0.00 0.00 179.97 180.37 1ni7 h SER 130 N 0.52 0.47 -0.88 7.04 0.02 -0.92 0.86 113.55 120.68 1ni7 h SER 130 Ca 0.32 0.11 0.25 0.00 -0.84 0.00 0.00 61.79 61.64 1ni7 h SER 130 Cb 0.35 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1ni7 h SER 130 CO -0.27 0.04 0.77 -0.61 -1.14 0.00 0.00 176.83 175.62 1ni7 h GLN 131 N 0.39 0.00 0.41 3.45 4.15 0.89 -0.04 115.11 124.36 1ni7 h GLN 131 Ca 0.65 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 60.04 1ni7 h GLN 131 Cb 1.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.29 1ni7 h GLN 131 CO -0.37 0.00 -0.20 0.78 -1.93 0.00 0.00 178.83 177.11 1ni7 h GLY 132 N 0.00 -0.58 -0.19 2.39 0.00 0.66 -3.11 103.07 102.23 1ni7 h GLY 132 Ca 0.42 0.22 0.19 0.00 0.00 0.00 0.00 47.33 48.16 1ni7 h GLY 132 CO -0.00 -0.21 0.25 1.41 0.00 0.00 0.00 176.54 177.99 1ni7 h LEU 133 N -1.08 0.10 -1.18 3.11 4.07 -1.12 0.88 115.31 120.10 1ni7 h LEU 133 Ca -0.06 0.16 0.23 0.00 0.08 0.00 0.00 57.88 58.29 1ni7 h LEU 133 Cb 0.51 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.34 1ni7 h LEU 133 CO 0.09 -0.05 0.63 -1.13 -1.08 0.00 0.00 178.44 176.90 1ni7 h ASN 134 N 0.30 0.60 0.22 -0.43 -0.73 -1.35 0.64 115.58 114.83 1ni7 h ASN 134 Ca 0.49 0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.74 1ni7 h ASN 134 Cb 0.90 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.48 1ni7 h ASN 134 CO -0.55 0.16 -0.11 0.00 -0.37 0.00 0.00 177.43 176.56 1ni7 h ALA 135 N 1.65 -0.89 -1.21 1.57 0.00 0.86 0.52 119.26 121.77 1ni7 h ALA 135 Ca 0.59 -0.06 0.44 0.00 0.00 0.00 0.00 54.91 55.88 1ni7 h ALA 135 Cb 1.22 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1ni7 h ALA 135 CO -0.35 -0.87 0.74 -0.07 0.00 0.00 0.00 179.25 178.69 1ni7 h LEU 136 N -0.35 0.27 0.02 0.00 3.38 -0.95 0.44 115.31 118.12 1ni7 h LEU 136 Ca -0.03 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ni7 h LEU 136 Cb 0.23 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ni7 h LEU 136 CO 0.05 -0.31 -0.01 -1.28 0.09 0.00 0.00 178.44 176.98 1ni7 h SER 137 N 0.03 -0.02 -1.49 -0.43 0.87 -0.67 -3.02 113.55 108.81 1ni7 h SER 137 Ca 0.86 0.00 0.43 0.00 -1.23 0.00 0.00 61.79 61.85 1ni7 h SER 137 Cb 2.52 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 64.43 1ni7 h SER 137 CO -0.58 -0.01 1.07 1.05 -0.53 0.00 0.00 176.83 177.83 1ni7 h GLU 138 N -0.04 0.00 -0.67 2.24 4.11 0.12 1.12 114.58 121.47 1ni7 h GLU 138 Ca -0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.48 1ni7 h GLU 138 Cb 0.02 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1ni7 h GLU 138 CO 0.00 0.00 0.37 0.00 0.07 0.00 0.00 179.01 179.46 1ni7 h ALA 139 N 1.26 0.89 -0.03 1.06 0.00 -0.10 0.32 119.26 122.66 1ni7 h ALA 139 Ca 0.71 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.42 1ni7 h ALA 139 Cb 2.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.51 1ni7 h ALA 139 CO -0.01 0.05 -0.89 0.82 0.00 0.00 0.00 179.25 179.21 1ni7 h ILE 140 N 0.69 1.38 -0.35 0.00 2.04 0.14 -2.70 117.51 118.70 1ni7 h ILE 140 Ca 0.30 -2.34 0.04 0.00 1.00 0.00 0.00 64.86 63.85 1ni7 h ILE 140 Cb 0.18 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1ni7 h ILE 140 CO -0.18 0.70 0.14 0.40 0.00 0.00 0.00 178.15 179.21 1ni7 h ILE 141 N 0.27 0.92 -0.55 -0.67 1.08 -0.20 0.78 117.51 119.14 1ni7 h ILE 141 Ca -0.07 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1ni7 h ILE 141 Cb 1.52 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 1ni7 h ILE 141 CO 0.16 0.05 0.33 0.00 -0.69 0.00 0.00 178.15 178.00 1ni7 h ALA 142 N 1.21 0.70 -0.04 1.87 0.00 -0.42 0.50 119.26 123.09 1ni7 h ALA 142 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ni7 h ALA 142 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ni7 h ALA 142 CO -0.15 0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.31 1ni7 h ALA 143 N 1.16 0.05 0.32 0.00 0.00 -0.98 0.01 119.26 119.82 1ni7 h ALA 143 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ni7 h ALA 143 Cb -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ni7 h ALA 143 CO -0.04 -0.42 -0.19 1.79 0.00 0.00 0.00 179.25 180.39 1ni7 h THR 144 N -0.01 0.59 -0.77 0.00 1.35 0.92 -0.45 112.91 114.53 1ni7 h THR 144 Ca 0.01 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.07 1ni7 h THR 144 Cb 0.07 0.59 -0.04 0.00 -1.73 0.00 0.00 68.15 67.04 1ni7 h THR 144 CO -0.00 0.00 0.53 0.50 -0.25 0.00 0.00 175.52 176.30 1ni7 h LYS 145 N -0.49 0.20 -0.28 4.72 3.64 0.11 0.85 116.57 125.32 1ni7 h LYS 145 Ca -0.03 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1ni7 h LYS 145 Cb 0.41 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ni7 h LYS 145 CO 0.04 0.13 -0.46 0.37 -2.27 0.00 0.00 179.45 177.26 1ni7 h GLN 146 N 0.21 0.73 0.01 1.90 -0.00 0.09 -1.50 115.11 116.55 1ni7 h GLN 146 Ca 0.38 -0.41 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1ni7 h GLN 146 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.70 1ni7 h GLN 146 CO -0.08 1.03 -0.00 0.28 0.00 0.00 0.00 178.83 180.06 1ni7 h VAL 147 N 0.58 1.54 -0.36 2.39 2.07 0.14 -3.29 116.25 119.32 1ni7 h VAL 147 Ca 0.03 -1.73 0.08 0.00 0.82 0.00 0.00 66.70 65.90 1ni7 h VAL 147 Cb 1.02 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 33.41 1ni7 h VAL 147 CO 0.10 0.44 -0.25 -0.07 0.02 0.00 0.00 177.57 177.81 1ni7 h LEU 148 N -0.77 -0.83 0.00 2.57 3.38 0.42 -3.51 115.31 116.57 1ni7 h LEU 148 Ca -0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ni7 h LEU 148 Cb 0.74 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ni7 h LEU 148 CO 0.00 -0.27 0.00 1.21 0.09 0.00 0.00 178.44 179.47