#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7f s ASP 7 N 0.00 6.51 0.03 4.39 1.11 -1.26 -4.88 116.67 122.57 1i7f s ASP 7 Ca 0.00 0.40 -0.02 0.00 0.18 0.00 0.00 52.55 53.11 1i7f s ASP 7 Cb 0.00 -2.35 -0.02 0.00 1.07 0.00 0.00 42.92 41.62 1i7f s ASP 7 CO 0.00 -0.54 0.01 -1.10 1.18 0.00 0.00 175.17 174.72 1i7f s GLN 8 N 2.72 0.44 -0.18 8.23 -0.21 -1.17 -4.99 119.66 124.51 1i7f s GLN 8 Ca 0.27 -0.73 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 1i7f s GLN 8 Cb -0.15 0.16 -0.00 0.00 1.00 0.00 0.00 33.01 34.03 1i7f s GLN 8 CO 0.13 -0.09 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.91 1i7f s LEU 9 N -1.86 2.54 -0.16 2.90 0.20 -1.26 -2.64 118.68 118.40 1i7f s LEU 9 Ca -0.09 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.21 1i7f s LEU 9 Cb -0.05 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 1i7f s LEU 9 CO -0.03 0.05 -0.02 -1.00 -0.29 0.00 0.00 176.35 175.05 1i7f s HIS 10 N 1.06 3.07 -0.12 5.38 3.76 0.15 -4.96 115.29 123.62 1i7f s HIS 10 Ca -0.00 -0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 1i7f s HIS 10 Cb -0.15 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 1i7f s HIS 10 CO -0.03 0.01 0.18 1.03 -0.85 0.00 0.00 174.74 175.08 1i7f s ARG 11 N 0.34 3.70 0.02 1.40 0.52 -1.26 -1.05 118.95 122.63 1i7f s ARG 11 Ca -0.03 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 1i7f s ARG 11 Cb -0.14 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 32.08 1i7f s ARG 11 CO 0.02 0.64 0.14 1.52 0.02 0.00 0.00 175.30 177.64 1i7f s TYR 12 N -0.65 0.08 -0.06 -0.53 -0.85 -0.21 -5.00 117.35 110.12 1i7f s TYR 12 Ca 0.15 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 56.47 1i7f s TYR 12 Cb -0.12 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.15 1i7f s TYR 12 CO 0.04 -0.35 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.39 1i7f s LEU 13 N -1.77 1.82 -1.22 -3.49 2.96 -1.26 0.16 118.68 115.88 1i7f s LEU 13 Ca -0.10 -0.36 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 1i7f s LEU 13 Cb -0.04 -0.97 0.15 0.00 0.50 0.00 0.00 46.19 45.82 1i7f s LEU 13 CO -0.01 0.10 1.49 -0.36 -1.32 0.00 0.00 176.35 176.25 1i7f s PHE 14 N 0.38 3.34 0.09 5.38 0.40 -0.50 -4.90 117.98 122.16 1i7f s PHE 14 Ca -0.11 -2.01 -0.09 0.00 -0.60 0.00 0.00 56.93 54.11 1i7f s PHE 14 Cb -0.15 -4.41 0.05 0.00 0.51 0.00 0.00 43.02 39.03 1i7f s PHE 14 CO 0.04 -1.49 0.64 0.39 0.70 0.00 0.00 175.22 175.51 1i7f n GLU 15 N 6.25 -0.13 0.16 0.44 -0.58 -1.26 -0.73 120.64 124.79 1i7f n GLU 15 Ca 0.39 0.64 0.02 0.00 -0.42 0.00 0.00 57.16 57.78 1i7f n GLU 15 Cb 0.44 -0.94 0.24 0.00 -0.57 0.00 0.00 31.44 30.60 1i7f n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1i7f h ASN 16 N 0.00 0.00 -0.01 1.62 2.35 -1.99 -3.30 115.58 114.25 1i7f h ASN 16 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1i7f h ASN 16 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1i7f h ASN 16 CO -0.41 0.51 -0.45 0.49 -1.65 0.00 0.00 177.43 175.93 1i7f n PHE 17 N -3.67 0.00 -3.42 1.19 0.99 0.09 -5.01 117.46 107.63 1i7f n PHE 17 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.25 1i7f n PHE 17 Cb 0.57 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 39.12 1i7f n PHE 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1i7f n ALA 18 N -0.08 -2.38 -3.68 4.37 0.00 -0.42 -5.01 120.51 113.31 1i7f n ALA 18 Ca 0.08 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 1i7f n ALA 18 Cb 0.43 -4.50 -0.17 0.00 0.00 0.00 0.00 19.45 15.21 1i7f n ALA 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i7f s VAL 19 N -3.44 0.09 0.33 0.00 1.01 -1.25 -4.64 120.40 112.50 1i7f s VAL 19 Ca 0.34 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 1i7f s VAL 19 Cb -0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 1i7f s VAL 19 CO 0.77 0.01 0.80 0.00 0.00 0.00 0.00 175.10 176.68 1i7f s ARG 20 N 2.07 4.16 0.16 2.72 1.70 -0.22 -1.42 118.95 128.12 1i7f s ARG 20 Ca 0.03 0.87 0.06 0.00 -0.47 0.00 0.00 55.73 56.22 1i7f s ARG 20 Cb -0.14 -2.50 -0.04 0.00 -0.57 0.00 0.00 34.95 31.70 1i7f s ARG 20 CO -0.06 0.18 -0.13 0.20 -1.08 0.00 0.00 175.30 174.41 1i7f s GLY 21 N -2.06 1.18 -0.05 3.88 0.00 0.42 -1.81 107.32 108.88 1i7f s GLY 21 Ca 0.53 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 1i7f s GLY 21 CO 0.18 -1.58 0.10 -0.54 0.00 0.00 0.00 173.10 171.26 1i7f s GLU 22 N -3.41 0.07 -0.09 2.90 2.02 -0.36 -1.05 118.70 118.78 1i7f s GLU 22 Ca 0.16 0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.43 1i7f s GLU 22 Cb -0.01 -0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.12 1i7f s GLU 22 CO 0.03 -0.12 -0.15 -1.17 0.02 0.00 0.00 175.26 173.87 1i7f s LEU 23 N 0.79 1.74 0.02 1.80 1.98 -0.21 -0.42 118.68 124.38 1i7f s LEU 23 Ca -0.06 -0.39 -0.08 0.00 -2.89 0.00 0.00 54.13 50.71 1i7f s LEU 23 Cb -0.08 -1.02 -0.00 0.00 0.66 0.00 0.00 46.19 45.75 1i7f s LEU 23 CO -0.03 0.04 0.15 0.54 -1.89 0.00 0.00 176.35 175.17 1i7f s VAL 24 N 0.75 0.10 0.00 1.68 0.11 0.22 0.35 120.40 123.61 1i7f s VAL 24 Ca -0.12 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1i7f s VAL 24 Cb -0.16 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1i7f s VAL 24 CO 0.02 -0.47 -0.01 0.42 -3.33 0.00 0.00 175.10 171.73 1i7f s THR 25 N -2.11 0.07 0.03 5.04 -4.23 -1.08 -0.81 115.64 112.55 1i7f s THR 25 Ca -0.09 -0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.32 1i7f s THR 25 Cb -0.04 -0.09 -0.02 0.00 1.34 0.00 0.00 72.50 73.69 1i7f s THR 25 CO -0.02 -0.06 -0.19 0.68 -0.54 0.00 0.00 174.62 174.49 1i7f s VAL 26 N -0.23 1.51 0.29 2.29 -7.23 0.69 -3.03 120.40 114.69 1i7f s VAL 26 Ca -0.02 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1i7f s VAL 26 Cb -0.02 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.61 1i7f s VAL 26 CO -0.00 0.20 0.00 -1.20 -0.31 0.00 0.00 175.10 173.79 1i7f n SER 27 N 1.99 -2.60 0.09 4.85 7.64 -1.26 -1.63 113.62 122.70 1i7f n SER 27 Ca -0.17 0.64 -0.13 0.00 1.01 0.00 0.00 58.87 60.22 1i7f n SER 27 Cb 0.54 2.58 -0.07 0.00 -1.01 0.00 0.00 64.21 66.24 1i7f n SER 27 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1i7f h GLU 28 N 0.00 -0.13 -0.37 1.43 4.22 -1.93 0.11 114.58 117.91 1i7f h GLU 28 Ca 0.00 0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 1i7f h GLU 28 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1i7f h GLU 28 CO 0.00 -0.07 -0.25 1.15 -2.18 0.00 0.00 179.01 177.66 1i7f h THR 29 N -0.16 1.28 -0.60 0.32 2.02 -1.95 -2.72 112.91 111.10 1i7f h THR 29 Ca -0.01 -1.41 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1i7f h THR 29 Cb 0.13 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1i7f h THR 29 CO 0.02 0.47 0.21 0.25 0.37 0.00 0.00 175.52 176.83 1i7f h LEU 30 N 0.62 0.83 -0.05 2.58 5.85 -1.79 -2.20 115.31 121.15 1i7f h LEU 30 Ca 0.07 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1i7f h LEU 30 Cb 0.82 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1i7f h LEU 30 CO 0.07 0.77 0.03 1.56 -0.34 0.00 0.00 178.44 180.53 1i7f h GLN 31 N 0.88 0.07 0.00 1.25 1.08 -0.67 -2.35 115.11 115.36 1i7f h GLN 31 Ca 0.20 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1i7f h GLN 31 Cb 0.23 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1i7f h GLN 31 CO -0.01 0.05 -0.13 1.96 -0.95 0.00 0.00 178.83 179.75 1i7f h GLN 32 N 0.06 0.00 0.00 1.46 4.20 -1.16 -1.63 115.11 118.04 1i7f h GLN 32 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1i7f h GLN 32 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1i7f h GLN 32 CO -0.00 0.13 -0.21 0.82 -0.67 0.00 0.00 178.83 178.90 1i7f h ILE 33 N 0.00 0.00 0.00 2.54 2.04 -1.07 -3.35 117.51 117.67 1i7f h ILE 33 Ca -0.00 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1i7f h ILE 33 Cb 0.25 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1i7f h ILE 33 CO 0.02 0.00 -1.79 0.18 0.00 0.00 0.00 178.15 176.55 1i7f n LEU 34 N -2.63 0.00 -4.74 1.44 4.77 -0.91 -4.91 117.00 110.02 1i7f n LEU 34 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1i7f n LEU 34 Cb 0.49 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1i7f n LEU 34 CO 0.34 0.07 1.03 -1.83 -1.33 0.00 0.00 177.39 175.67 1i7f s GLU 35 N -2.98 4.34 -0.26 3.23 -1.05 -0.66 -3.04 118.70 118.28 1i7f s GLU 35 Ca -0.06 2.13 -0.01 0.00 -0.15 0.00 0.00 54.97 56.88 1i7f s GLU 35 Cb 0.09 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 1i7f s GLU 35 CO 0.66 -0.32 0.14 0.09 0.95 0.00 0.00 175.26 176.78 1i7f n ASN 36 N 2.69 -2.46 -3.29 0.83 5.03 -1.26 -5.01 115.26 111.79 1i7f n ASN 36 Ca 0.07 -0.06 -0.08 0.00 0.87 0.00 0.00 54.58 55.38 1i7f n ASN 36 Cb 0.42 -1.27 -0.05 0.00 -1.02 0.00 0.00 39.78 37.86 1i7f n ASN 36 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1i7f s HIS 37 N -2.78 -1.08 -0.58 3.10 3.76 -1.17 -5.04 115.29 111.50 1i7f s HIS 37 Ca 0.07 0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.24 1i7f s HIS 37 Cb -0.03 -0.10 -0.06 0.00 1.11 0.00 0.00 32.58 33.50 1i7f s HIS 37 CO 0.08 -1.01 1.89 -3.47 -0.85 0.00 0.00 174.74 171.39 1i7f n ASP 38 N 5.21 3.61 -4.75 1.40 2.03 -1.26 -4.87 116.55 117.93 1i7f n ASP 38 Ca 0.03 -2.19 -0.41 0.00 0.52 0.00 0.00 54.79 52.73 1i7f n ASP 38 Cb 0.50 -0.90 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 1i7f n ASP 38 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1i7f s TYR 39 N 3.38 3.06 1.16 -0.67 4.12 -1.26 -5.00 117.35 122.14 1i7f s TYR 39 Ca 0.31 1.11 -0.17 0.00 0.02 0.00 0.00 57.07 58.34 1i7f s TYR 39 Cb 0.09 -3.77 0.26 0.00 -1.52 0.00 0.00 41.96 37.03 1i7f s TYR 39 CO -0.02 -2.43 1.09 -1.25 0.02 0.00 0.00 175.55 172.96 1i7f s PRO 40 N -0.50 -0.85 0.09 -1.71 0.04 -1.26 -4.77 135.00 126.03 1i7f s PRO 40 Ca 0.58 0.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 1i7f s PRO 40 Cb -0.41 -1.62 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1i7f s PRO 40 CO 0.44 -3.51 1.67 1.96 0.04 0.00 0.00 177.00 177.60 1i7f h GLN 41 N -2.44 -0.47 -0.97 4.56 1.08 -1.97 -2.64 115.11 112.27 1i7f h GLN 41 Ca -0.48 0.03 0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1i7f h GLN 41 Cb 1.31 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 28.73 1i7f h GLN 41 CO 0.41 -0.31 0.54 -1.35 -0.95 0.00 0.00 178.83 177.17 1i7f h PRO 42 N -0.49 0.55 -0.36 1.46 0.11 -1.90 0.51 132.00 131.89 1i7f h PRO 42 Ca -0.03 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1i7f h PRO 42 Cb 0.41 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1i7f h PRO 42 CO 0.02 0.36 -0.17 0.28 -0.21 0.00 0.00 178.00 178.28 1i7f h VAL 43 N 0.57 1.28 -0.08 3.15 2.07 -1.89 -2.82 116.25 118.53 1i7f h VAL 43 Ca 0.60 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1i7f h VAL 43 Cb 1.10 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1i7f h VAL 43 CO -0.47 0.43 0.05 0.11 0.02 0.00 0.00 177.57 177.71 1i7f h LYS 44 N 0.55 0.10 -0.14 1.57 1.57 -0.58 -2.44 116.57 117.20 1i7f h LYS 44 Ca 0.08 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1i7f h LYS 44 Cb 0.71 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1i7f h LYS 44 CO 0.05 0.07 -0.16 -0.91 -0.57 0.00 0.00 179.45 177.93 1i7f h ASN 45 N 0.10 0.39 0.27 0.86 2.35 -0.95 -2.52 115.58 116.08 1i7f h ASN 45 Ca 0.03 -0.50 -0.09 0.00 -0.55 0.00 0.00 56.30 55.19 1i7f h ASN 45 Cb -0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1i7f h ASN 45 CO -0.01 0.81 -0.36 -0.37 -1.65 0.00 0.00 177.43 175.85 1i7f h VAL 46 N -0.02 1.28 0.00 2.81 -1.51 -1.37 -1.73 116.25 115.70 1i7f h VAL 46 Ca 0.02 -1.34 -0.09 0.00 -1.23 0.00 0.00 66.70 64.06 1i7f h VAL 46 Cb 0.71 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 1i7f h VAL 46 CO 0.04 0.39 -0.41 -0.07 -1.23 0.00 0.00 177.57 176.29 1i7f h LEU 47 N 0.12 0.00 -0.06 4.19 3.38 -1.43 0.20 115.31 121.72 1i7f h LEU 47 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1i7f h LEU 47 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1i7f h LEU 47 CO 0.05 0.41 -0.05 0.00 0.09 0.00 0.00 178.44 178.95 1i7f h ALA 48 N 1.59 0.08 -0.46 1.53 0.00 -0.88 -1.08 119.26 120.04 1i7f h ALA 48 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1i7f h ALA 48 Cb 0.76 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1i7f h ALA 48 CO 0.05 -0.13 0.29 0.93 0.00 0.00 0.00 179.25 180.39 1i7f h GLU 49 N -0.29 0.57 -0.39 0.00 5.08 -0.92 -1.86 114.58 116.76 1i7f h GLU 49 Ca 0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1i7f h GLU 49 Cb 0.54 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1i7f h GLU 49 CO 0.01 0.38 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.32 1i7f h LEU 50 N 0.59 0.60 -0.76 1.33 3.38 -0.58 0.84 115.31 120.71 1i7f h LEU 50 Ca 0.18 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1i7f h LEU 50 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1i7f h LEU 50 CO -0.06 0.67 0.02 0.25 0.09 0.00 0.00 178.44 179.42 1i7f h LEU 51 N 0.60 0.94 0.02 1.67 5.85 -0.75 0.41 115.31 124.05 1i7f h LEU 51 Ca 0.12 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1i7f h LEU 51 Cb 0.39 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1i7f h LEU 51 CO 0.01 0.98 -0.01 0.58 -0.34 0.00 0.00 178.44 179.67 1i7f h VAL 52 N 0.90 1.34 -0.22 1.05 2.07 -0.86 -1.62 116.25 118.90 1i7f h VAL 52 Ca 0.17 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.60 1i7f h VAL 52 Cb 0.50 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 1i7f h VAL 52 CO 0.02 0.29 -0.04 0.00 0.02 0.00 0.00 177.57 177.86 1i7f h ALA 53 N 0.44 0.16 -0.27 1.67 0.00 -0.72 -1.31 119.26 119.24 1i7f h ALA 53 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1i7f h ALA 53 Cb 0.49 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1i7f h ALA 53 CO 0.00 -0.46 0.11 1.15 0.00 0.00 0.00 179.25 180.05 1i7f h THR 54 N 0.02 1.17 -0.97 0.00 2.02 -0.20 -1.14 112.91 113.81 1i7f h THR 54 Ca 0.10 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1i7f h THR 54 Cb 0.15 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 1i7f h THR 54 CO -0.21 0.18 0.63 -1.28 0.37 0.00 0.00 175.52 175.21 1i7f h SER 55 N 0.28 1.04 -0.14 4.18 0.87 -1.05 0.18 113.55 118.91 1i7f h SER 55 Ca 0.09 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1i7f h SER 55 Cb 0.18 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1i7f h SER 55 CO -0.01 0.70 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.92 1i7f h LEU 56 N 1.20 0.25 -1.59 2.23 3.38 -0.98 -2.81 115.31 116.99 1i7f h LEU 56 Ca 0.40 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i7f h LEU 56 Cb 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1i7f h LEU 56 CO -0.14 0.50 0.15 -0.07 0.09 0.00 0.00 178.44 178.97 1i7f h LEU 57 N -0.01 0.37 -0.80 1.67 4.07 -0.73 -2.22 115.31 117.66 1i7f h LEU 57 Ca 0.04 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1i7f h LEU 57 Cb 0.37 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1i7f h LEU 57 CO 0.01 0.32 0.50 0.74 -1.08 0.00 0.00 178.44 178.93 1i7f h THR 58 N 0.42 1.07 0.00 0.22 2.02 -0.41 -1.97 112.91 114.26 1i7f h THR 58 Ca 0.11 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1i7f h THR 58 Cb 0.05 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1i7f h THR 58 CO -0.02 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1i7f n ALA 59 N -2.34 2.28 0.81 6.16 0.00 -0.83 -2.52 120.51 124.07 1i7f n ALA 59 Ca 0.10 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1i7f n ALA 59 Cb 0.14 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.27 1i7f n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i7f n THR 60 N -0.82 0.00 -1.72 0.00 -2.24 -0.74 -4.98 114.28 103.78 1i7f n THR 60 Ca 0.11 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1i7f n THR 60 Cb 0.05 1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 1i7f n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i7f n LEU 61 N -1.19 3.84 -0.77 3.22 4.77 -1.05 -4.88 117.00 120.94 1i7f n LEU 61 Ca 0.04 1.20 0.09 0.00 -0.03 0.00 0.00 56.01 57.32 1i7f n LEU 61 Cb 0.29 -1.52 0.10 0.00 -2.33 0.00 0.00 43.42 39.96 1i7f n LEU 61 CO 0.33 -0.30 0.56 0.29 -1.33 0.00 0.00 177.39 176.94 1i7f n LYS 62 N 0.72 1.69 -4.18 3.23 4.76 -1.26 -4.97 118.16 118.15 1i7f n LYS 62 Ca 0.05 -1.69 -0.14 0.00 -2.87 0.00 0.00 58.31 53.65 1i7f n LYS 62 Cb 0.36 -1.36 -0.08 0.00 -1.84 0.00 0.00 35.03 32.11 1i7f n LYS 62 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1i7f s PHE 63 N -1.44 1.20 -0.20 2.13 -0.12 -1.26 -5.15 117.98 113.14 1i7f s PHE 63 Ca 0.23 -1.36 -0.16 0.00 -0.05 0.00 0.00 56.93 55.59 1i7f s PHE 63 Cb 0.16 -0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1i7f s PHE 63 CO 0.23 -0.81 0.42 -0.51 -0.05 0.00 0.00 175.22 174.50 1i7f s ASP 64 N -3.21 6.47 0.00 1.98 -0.00 -1.26 -4.87 116.67 115.78 1i7f s ASP 64 Ca 0.36 0.56 0.00 0.00 -0.00 0.00 0.00 52.55 53.47 1i7f s ASP 64 Cb 0.04 -2.25 0.00 0.00 -0.00 0.00 0.00 42.92 40.71 1i7f s ASP 64 CO 0.17 -0.09 0.00 0.61 -0.00 0.00 0.00 175.17 175.86 1i7f n GLY 65 N 3.89 -1.50 3.43 0.21 0.00 -1.26 0.85 105.19 110.80 1i7f n GLY 65 Ca -0.08 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1i7f n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i7f s ASP 66 N -2.00 3.61 0.04 1.61 -4.77 -0.97 -2.27 116.67 111.92 1i7f s ASP 66 Ca 0.00 -0.50 0.08 0.00 -3.30 0.00 0.00 52.55 48.82 1i7f s ASP 66 Cb 0.00 -0.49 -0.03 0.00 -1.09 0.00 0.00 42.92 41.30 1i7f s ASP 66 CO 0.00 0.24 -0.20 -0.51 0.70 0.00 0.00 175.17 175.41 1i7f s ILE 67 N -0.92 2.67 -0.01 2.11 2.07 0.61 -1.77 121.20 125.96 1i7f s ILE 67 Ca 0.14 -1.24 0.01 0.00 -1.41 0.00 0.00 60.65 58.15 1i7f s ILE 67 Cb -0.10 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.38 1i7f s ILE 67 CO 0.05 0.33 -0.03 0.28 -1.91 0.00 0.00 174.94 173.66 1i7f s THR 68 N -0.91 0.31 -0.19 4.00 -1.32 -0.34 -0.55 115.64 116.64 1i7f s THR 68 Ca 0.14 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1i7f s THR 68 Cb -0.10 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 1i7f s THR 68 CO 0.05 0.12 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.71 1i7f s VAL 69 N 0.28 2.28 0.09 5.08 1.01 -0.60 -1.41 120.40 127.14 1i7f s VAL 69 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1i7f s VAL 69 Cb -0.06 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1i7f s VAL 69 CO -0.00 0.52 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 1i7f s GLN 70 N 1.30 0.81 -0.06 2.72 -2.07 -0.91 -2.44 119.66 119.01 1i7f s GLN 70 Ca 0.05 -1.20 0.02 0.00 -1.82 0.00 0.00 55.36 52.41 1i7f s GLN 70 Cb -0.13 -0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 31.42 1i7f s GLN 70 CO -0.11 0.03 -0.12 -0.51 -1.32 0.00 0.00 175.29 173.26 1i7f s LEU 71 N -2.65 2.89 0.00 2.60 1.43 0.34 -0.17 118.68 123.11 1i7f s LEU 71 Ca 0.07 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1i7f s LEU 71 Cb 0.00 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1i7f s LEU 71 CO -0.02 0.34 -0.05 -1.10 0.23 0.00 0.00 176.35 175.75 1i7f s GLN 72 N -0.68 0.37 0.06 1.70 -0.21 -0.65 -2.29 119.66 117.96 1i7f s GLN 72 Ca 0.10 -0.20 -0.09 0.00 0.02 0.00 0.00 55.36 55.19 1i7f s GLN 72 Cb -0.11 -0.33 0.03 0.00 1.00 0.00 0.00 33.01 33.60 1i7f s GLN 72 CO 0.01 0.09 0.41 0.41 -2.12 0.00 0.00 175.29 174.09 1i7f n GLY 73 N 2.85 0.95 0.06 3.09 0.00 -1.02 -0.89 105.19 110.23 1i7f n GLY 73 Ca -0.14 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 44.99 1i7f n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7f n ASP 74 N -0.80 1.12 -3.27 1.61 5.68 -1.21 -4.45 116.55 115.23 1i7f n ASP 74 Ca -0.00 -1.05 -0.25 0.00 -0.50 0.00 0.00 54.79 52.98 1i7f n ASP 74 Cb 0.22 0.93 0.23 0.00 -1.14 0.00 0.00 41.12 41.36 1i7f n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7f n GLY 75 N 1.49 -3.41 2.03 6.12 0.00 -1.26 -4.67 105.19 105.49 1i7f n GLY 75 Ca 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1i7f n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i7f n PRO 76 N -4.80 0.00 0.00 1.61 -0.04 -1.09 -4.57 135.00 126.11 1i7f n PRO 76 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1i7f n PRO 76 Cb 0.50 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1i7f n PRO 76 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1i7f n ASN 78 N 1.81 0.00 -3.74 3.54 6.94 -0.98 0.10 115.26 122.93 1i7f n ASN 78 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.44 1i7f n ASN 78 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1i7f n ASN 78 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1i7f s LEU 79 N -0.03 0.51 -0.13 -4.53 2.96 -1.21 -2.42 118.68 113.83 1i7f s LEU 79 Ca 0.00 0.69 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1i7f s LEU 79 Cb 0.00 1.10 0.07 0.00 0.50 0.00 0.00 46.19 47.86 1i7f s LEU 79 CO 0.00 -0.14 0.26 0.00 -1.32 0.00 0.00 176.35 175.15 1i7f s ALA 80 N 0.63 -0.55 0.04 5.97 0.00 -0.97 0.88 121.76 127.76 1i7f s ALA 80 Ca -0.04 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1i7f s ALA 80 Cb -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1i7f s ALA 80 CO -0.04 -0.66 -0.05 0.54 0.00 0.00 0.00 175.76 175.55 1i7f s VAL 81 N 2.42 0.31 -0.03 0.00 0.11 -0.61 -0.50 120.40 122.09 1i7f s VAL 81 Ca 0.01 -1.24 -0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1i7f s VAL 81 Cb -0.12 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1i7f s VAL 81 CO -0.09 -0.60 0.05 -0.63 -3.33 0.00 0.00 175.10 170.50 1i7f s ILE 82 N -2.14 -0.03 -0.03 7.04 -1.09 -1.02 -2.50 121.20 121.43 1i7f s ILE 82 Ca -0.07 0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1i7f s ILE 82 Cb -0.05 -0.10 -0.01 0.00 -1.58 0.00 0.00 42.46 40.72 1i7f s ILE 82 CO -0.03 0.05 -0.15 0.21 -1.23 0.00 0.00 174.94 173.79 1i7f s ASN 83 N 0.66 1.86 0.14 3.58 3.84 0.45 -1.56 114.94 123.90 1i7f s ASN 83 Ca -0.05 -0.29 -0.04 0.00 0.21 0.00 0.00 52.86 52.68 1i7f s ASN 83 Cb -0.07 -0.36 -0.03 0.00 -0.55 0.00 0.00 41.25 40.24 1i7f s ASN 83 CO -0.02 0.16 0.14 -0.83 -2.79 0.00 0.00 177.10 173.76 1i7f s GLY 84 N -0.14 0.73 0.39 1.21 0.00 0.28 -2.00 107.32 107.79 1i7f s GLY 84 Ca 0.01 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1i7f s GLY 84 CO 0.01 -1.14 0.05 0.54 0.00 0.00 0.00 173.10 172.56 1i7f s ASN 85 N -3.00 3.12 0.56 1.64 2.20 -1.20 -0.28 114.94 117.97 1i7f s ASN 85 Ca 0.20 -1.48 0.31 0.00 -0.94 0.00 0.00 52.86 50.95 1i7f s ASN 85 Cb 0.06 0.04 1.46 0.00 -2.00 0.00 0.00 41.25 40.81 1i7f s ASN 85 CO -0.00 -0.67 1.85 -0.55 -2.94 0.00 0.00 177.10 174.79 1i7f h ASN 86 N 1.84 0.00 -0.20 3.54 -1.07 -1.74 0.25 115.58 118.20 1i7f h ASN 86 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.96 1i7f h ASN 86 Cb 1.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.51 1i7f h ASN 86 CO 0.71 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.80 1i7f n ASN 87 N -4.00 1.70 -3.29 6.14 3.02 -1.26 -4.89 115.26 112.68 1i7f n ASN 87 Ca 0.16 -2.12 -0.23 0.00 -0.03 0.00 0.00 54.58 52.36 1i7f n ASN 87 Cb 0.92 -0.32 0.05 0.00 -0.61 0.00 0.00 39.78 39.82 1i7f n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i7f n GLN 88 N 0.16 -6.00 -3.87 3.52 3.00 0.87 -5.21 117.38 109.85 1i7f n GLN 88 Ca 0.08 0.85 -0.25 0.00 -0.01 0.00 0.00 57.00 57.67 1i7f n GLN 88 Cb 0.33 -5.78 -0.03 0.00 0.00 0.00 0.00 30.24 24.76 1i7f n GLN 88 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1i7f s GLN 89 N -5.98 3.46 0.00 -1.09 -0.21 -1.26 -4.91 119.66 109.67 1i7f s GLN 89 Ca 0.43 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.24 1i7f s GLN 89 Cb -0.19 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 30.91 1i7f s GLN 89 CO 0.53 0.45 0.00 2.89 -2.12 0.00 0.00 175.29 177.04 1i7f n ARG 91 N -0.85 0.00 0.00 2.91 1.85 -0.85 -3.26 116.66 116.46 1i7f n ARG 91 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1i7f n ARG 91 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 1i7f n ARG 91 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i7f n GLY 92 N -1.57 -0.41 3.71 2.89 0.00 -1.26 -0.42 105.19 108.13 1i7f n GLY 92 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 1i7f n GLY 92 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i7f s VAL 93 N -2.00 0.00 0.08 1.61 -7.23 -1.04 -4.99 120.40 106.83 1i7f s VAL 93 Ca 0.00 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1i7f s VAL 93 Cb 0.00 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1i7f s VAL 93 CO 0.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 175.10 174.71 1i7f s ALA 94 N -3.96 0.82 -0.21 1.32 0.00 -1.26 -1.58 121.76 116.89 1i7f s ALA 94 Ca 0.16 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1i7f s ALA 94 Cb -0.03 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1i7f s ALA 94 CO 0.07 -0.14 -0.09 1.03 0.00 0.00 0.00 175.76 176.63 1i7f s ARG 95 N -2.90 1.95 -0.23 0.00 1.81 0.25 -4.96 118.95 114.87 1i7f s ARG 95 Ca 0.03 -0.91 -0.11 0.00 -1.72 0.00 0.00 55.73 53.02 1i7f s ARG 95 Cb -0.01 -2.49 -0.05 0.00 -0.45 0.00 0.00 34.95 31.95 1i7f s ARG 95 CO -0.03 -0.48 0.17 0.08 -0.68 0.00 0.00 175.30 174.36 1i7f s VAL 96 N 1.38 5.36 -0.07 3.52 1.01 -1.26 -2.31 120.40 128.02 1i7f s VAL 96 Ca -0.03 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1i7f s VAL 96 Cb -0.17 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.82 1i7f s VAL 96 CO -0.07 0.36 1.07 0.00 0.00 0.00 0.00 175.10 176.46 1i7f n GLN 97 N 4.09 2.41 -0.24 2.72 10.64 0.28 -4.97 117.38 132.32 1i7f n GLN 97 Ca -0.15 -1.91 0.00 0.00 -1.83 0.00 0.00 57.00 53.12 1i7f n GLN 97 Cb 0.52 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.71 1i7f n GLN 97 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1i7f n GLY 98 N -0.79 1.54 3.65 2.61 0.00 -1.14 -4.96 105.19 106.10 1i7f n GLY 98 Ca 0.06 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1i7f n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i7f s GLU 99 N 0.55 4.10 -0.42 1.61 2.56 -1.26 -4.95 118.70 120.89 1i7f s GLU 99 Ca 0.00 1.82 -0.05 0.00 0.00 0.00 0.00 54.97 56.74 1i7f s GLU 99 Cb 0.00 -3.91 0.10 0.00 2.00 0.00 0.00 34.13 32.32 1i7f s GLU 99 CO 0.00 -0.91 0.23 0.42 -0.56 0.00 0.00 175.26 174.45 1i7f s ILE 100 N 4.10 3.65 0.44 -3.70 1.01 -1.26 -4.72 121.20 120.73 1i7f s ILE 100 Ca 0.65 -1.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.22 1i7f s ILE 100 Cb -0.26 -3.40 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1i7f s ILE 100 CO 0.24 -0.64 1.40 -2.16 0.00 0.00 0.00 174.94 173.78 1i7f s PRO 101 N 1.25 3.75 0.64 2.79 0.04 -1.26 -4.97 135.00 137.23 1i7f s PRO 101 Ca 0.06 2.37 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 1i7f s PRO 101 Cb -0.23 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1i7f s PRO 101 CO -0.02 -0.75 1.25 -1.83 0.04 0.00 0.00 177.00 175.69 1i7f s GLU 102 N -2.41 2.63 -1.45 4.56 -1.05 -1.26 -2.51 118.70 117.22 1i7f s GLU 102 Ca 0.60 1.93 -0.10 0.00 -0.15 0.00 0.00 54.97 57.25 1i7f s GLU 102 Cb -0.43 -1.87 0.05 0.00 -0.44 0.00 0.00 34.13 31.44 1i7f s GLU 102 CO 0.55 -1.50 0.98 0.09 0.95 0.00 0.00 175.26 176.33 1i7f n ASN 103 N -1.93 -4.44 -4.71 0.83 3.02 -1.26 -4.93 115.26 101.84 1i7f n ASN 103 Ca 0.15 -0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 53.56 1i7f n ASN 103 Cb 0.49 -4.21 -0.04 0.00 -0.61 0.00 0.00 39.78 35.41 1i7f n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i7f s ALA 104 N -3.37 3.27 0.50 5.41 0.00 -1.05 -5.05 121.76 121.48 1i7f s ALA 104 Ca 0.51 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1i7f s ALA 104 Cb -0.25 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1i7f s ALA 104 CO 0.80 -0.17 0.89 0.16 0.00 0.00 0.00 175.76 177.45 1i7f s ASP 105 N 0.89 6.44 0.31 0.00 -4.77 -1.26 -4.85 116.67 113.43 1i7f s ASP 105 Ca 0.43 1.29 0.06 0.00 -3.30 0.00 0.00 52.55 51.03 1i7f s ASP 105 Cb -0.19 -2.40 0.87 0.00 -1.09 0.00 0.00 42.92 40.12 1i7f s ASP 105 CO 0.22 -0.59 1.61 0.25 0.70 0.00 0.00 175.17 177.36 1i7f h LEU 106 N 0.61 -0.05 -2.41 2.11 5.85 -1.95 0.23 115.31 119.70 1i7f h LEU 106 Ca -0.46 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1i7f h LEU 106 Cb 1.19 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 1i7f h LEU 106 CO 0.62 -0.27 -0.01 0.50 -0.34 0.00 0.00 178.44 178.95 1i7f h LYS 107 N 0.12 0.00 0.02 1.25 3.64 -1.83 -2.23 116.57 117.53 1i7f h LYS 107 Ca 0.64 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.65 1i7f h LYS 107 Cb 1.40 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 1i7f h LYS 107 CO -0.76 0.01 -2.28 0.25 -2.27 0.00 0.00 179.45 174.40 1i7f n THR 108 N -3.12 1.52 0.04 1.00 -2.24 0.78 -4.28 114.28 107.99 1i7f n THR 108 Ca -0.02 -0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1i7f n THR 108 Cb 0.16 -1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 67.21 1i7f n THR 108 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i7f h LEU 109 N 0.01 -0.01 -9.25 3.22 3.38 -1.34 -3.36 115.31 107.97 1i7f h LEU 109 Ca -0.51 -0.03 -0.59 0.00 0.09 0.00 0.00 57.88 56.84 1i7f h LEU 109 Cb 2.05 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.70 1i7f h LEU 109 CO -0.00 0.02 -0.29 -0.69 0.09 0.00 0.00 178.44 177.57 1i7f s VAL 110 N -6.08 5.27 0.00 1.22 1.01 -0.85 -2.69 120.40 118.29 1i7f s VAL 110 Ca -0.13 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1i7f s VAL 110 Cb 0.06 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1i7f s VAL 110 CO 0.66 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.72 1i7f n GLY 111 N 3.58 1.63 3.32 4.51 0.00 -1.26 -4.46 105.19 112.51 1i7f n GLY 111 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1i7f n GLY 111 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i7f s ASN 112 N -1.07 5.65 0.00 1.61 0.01 -1.26 -4.75 114.94 115.13 1i7f s ASN 112 Ca 0.00 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 1i7f s ASN 112 Cb 0.00 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1i7f s ASN 112 CO 0.00 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 175.75 1i7f n GLY 113 N 4.94 3.75 3.24 0.66 0.00 -1.24 -3.32 105.19 113.22 1i7f n GLY 113 Ca -0.11 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1i7f n GLY 113 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i7f s TYR 114 N -1.65 1.35 -0.12 1.61 1.51 -0.07 -2.05 117.35 117.93 1i7f s TYR 114 Ca 0.00 -1.42 -0.05 0.00 -1.01 0.00 0.00 57.07 54.59 1i7f s TYR 114 Cb 0.00 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1i7f s TYR 114 CO 0.00 -0.65 0.06 0.08 -1.11 0.00 0.00 175.55 173.93 1i7f s VAL 115 N -3.93 4.81 -0.25 0.71 1.01 0.01 -1.63 120.40 121.12 1i7f s VAL 115 Ca 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1i7f s VAL 115 Cb 0.06 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1i7f s VAL 115 CO 0.16 0.57 0.04 -0.69 0.00 0.00 0.00 175.10 175.18 1i7f s VAL 116 N -0.59 0.96 -0.23 2.92 1.01 0.75 -2.57 120.40 122.65 1i7f s VAL 116 Ca 0.11 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1i7f s VAL 116 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1i7f s VAL 116 CO 0.02 -0.37 0.40 -0.63 0.00 0.00 0.00 175.10 174.52 1i7f s ILE 117 N 1.62 5.18 -0.14 2.22 1.09 -0.20 -2.14 121.20 128.83 1i7f s ILE 117 Ca 0.02 0.66 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 1i7f s ILE 117 Cb -0.18 -3.72 0.02 0.00 -1.06 0.00 0.00 42.46 37.52 1i7f s ILE 117 CO -0.14 0.20 -0.13 0.28 -0.10 0.00 0.00 174.94 175.05 1i7f s THR 118 N 1.70 1.47 -0.39 2.92 -1.32 -0.50 0.59 115.64 120.11 1i7f s THR 118 Ca 0.17 -0.57 -0.04 0.00 -1.21 0.00 0.00 61.69 60.04 1i7f s THR 118 Cb -0.15 -1.40 0.09 0.00 -1.51 0.00 0.00 72.50 69.53 1i7f s THR 118 CO 0.09 0.44 0.18 -0.63 -2.21 0.00 0.00 174.62 172.49 1i7f s ILE 119 N 1.51 3.45 -0.37 5.08 1.01 0.05 -1.19 121.20 130.75 1i7f s ILE 119 Ca 0.05 -1.78 -0.07 0.00 0.00 0.00 0.00 60.65 58.85 1i7f s ILE 119 Cb -0.13 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.16 1i7f s ILE 119 CO -0.10 -0.54 0.16 0.28 0.00 0.00 0.00 174.94 174.74 1i7f s THR 120 N 1.23 3.86 0.96 2.92 -1.32 -0.73 -1.09 115.64 121.47 1i7f s THR 120 Ca 0.04 -1.29 -0.12 0.00 -1.21 0.00 0.00 61.69 59.11 1i7f s THR 120 Cb -0.22 -3.28 0.16 0.00 -1.51 0.00 0.00 72.50 67.65 1i7f s THR 120 CO -0.02 -0.32 1.10 -2.16 -2.21 0.00 0.00 174.62 171.01 1i7f s PRO 121 N 1.38 0.76 -0.01 7.08 0.04 -1.26 -2.29 135.00 140.71 1i7f s PRO 121 Ca 0.01 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 1i7f s PRO 121 Cb -0.21 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.35 1i7f s PRO 121 CO 0.02 -2.52 1.14 0.77 0.04 0.00 0.00 177.00 176.46 1i7f h SER 122 N -1.74 0.34 -3.60 6.66 0.02 0.12 -3.36 113.55 111.99 1i7f h SER 122 Ca -0.53 -0.68 -0.67 0.00 -0.84 0.00 0.00 61.79 59.07 1i7f h SER 122 Cb 1.32 -0.10 -0.35 0.00 0.14 0.00 0.00 62.40 63.41 1i7f h SER 122 CO 0.58 0.96 -0.79 -1.61 -1.14 0.00 0.00 176.83 174.83 1i7f s GLU 123 N -3.52 2.57 0.00 3.45 2.02 -1.26 -5.05 118.70 116.91 1i7f s GLU 123 Ca -0.15 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1i7f s GLU 123 Cb 0.03 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1i7f s GLU 123 CO 0.76 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1i7f n GLY 124 N 4.55 -2.06 3.86 -1.39 0.00 -1.26 -5.13 105.19 103.77 1i7f n GLY 124 Ca -0.16 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1i7f n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7f s GLU 125 N -1.84 3.69 0.47 1.61 2.02 -1.26 -4.66 118.70 118.73 1i7f s GLU 125 Ca 0.00 0.13 -0.24 0.00 0.02 0.00 0.00 54.97 54.88 1i7f s GLU 125 Cb 0.00 -3.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.00 1i7f s GLU 125 CO 0.00 0.70 1.38 0.50 0.02 0.00 0.00 175.26 177.85 1i7f s ARG 126 N -1.29 3.57 0.09 1.61 3.52 -1.26 -4.61 118.95 120.57 1i7f s ARG 126 Ca 0.23 2.30 0.10 0.00 -0.13 0.00 0.00 55.73 58.23 1i7f s ARG 126 Cb -0.14 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1i7f s ARG 126 CO 0.12 -0.87 -0.26 -0.47 -0.81 0.00 0.00 175.30 173.01 1i7f s TYR 127 N -1.25 2.34 -0.07 5.12 5.04 -0.25 -4.98 117.35 123.29 1i7f s TYR 127 Ca 0.63 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.85 1i7f s TYR 127 Cb -0.41 -1.33 0.04 0.00 0.35 0.00 0.00 41.96 40.61 1i7f s TYR 127 CO 0.52 0.25 0.16 -1.14 -1.34 0.00 0.00 175.55 173.99 1i7f s GLN 128 N -1.68 0.09 0.02 4.97 0.74 -1.26 -0.77 119.66 121.78 1i7f s GLN 128 Ca 0.13 0.43 0.06 0.00 0.05 0.00 0.00 55.36 56.04 1i7f s GLN 128 Cb -0.10 -0.19 -0.03 0.00 1.10 0.00 0.00 33.01 33.79 1i7f s GLN 128 CO 0.05 -0.20 -0.16 0.20 -0.55 0.00 0.00 175.29 174.63 1i7f s GLY 129 N 1.44 1.59 0.04 2.59 0.00 0.20 -4.98 107.32 108.20 1i7f s GLY 129 Ca -0.06 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1i7f s GLY 129 CO -0.06 -1.01 -0.09 0.14 0.00 0.00 0.00 173.10 172.08 1i7f s VAL 130 N -0.90 0.66 -0.19 1.40 1.01 -1.26 -1.04 120.40 120.08 1i7f s VAL 130 Ca 0.15 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 1i7f s VAL 130 Cb -0.11 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.64 1i7f s VAL 130 CO 0.05 -0.29 0.60 0.54 0.00 0.00 0.00 175.10 175.99 1i7f s VAL 131 N -1.23 0.00 0.91 2.92 0.11 -1.06 -5.01 120.40 117.04 1i7f s VAL 131 Ca -0.07 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.83 1i7f s VAL 131 Cb -0.09 -0.85 0.14 0.00 -1.53 0.00 0.00 36.38 34.04 1i7f s VAL 131 CO 0.01 -0.02 1.10 -0.83 -3.33 0.00 0.00 175.10 172.03 1i7f s GLY 132 N -0.01 1.60 -1.26 6.54 0.00 -1.26 -0.81 107.32 112.11 1i7f s GLY 132 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 1i7f s GLY 132 CO 0.02 0.28 1.99 1.04 0.00 0.00 0.00 173.10 176.43 1i7f n LEU 133 N -3.86 7.10 -0.94 0.66 4.77 -0.87 -4.66 117.00 119.20 1i7f n LEU 133 Ca 0.06 -4.82 -0.01 0.00 -0.03 0.00 0.00 56.01 51.21 1i7f n LEU 133 Cb 0.57 -1.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1i7f n LEU 133 CO 0.56 1.66 0.48 -1.84 -1.33 0.00 0.00 177.39 176.92 1i7f n GLU 134 N 2.72 1.35 -4.38 3.23 0.28 -1.26 -4.87 120.64 117.72 1i7f n GLU 134 Ca 0.45 -0.43 -0.24 0.00 -0.16 0.00 0.00 57.16 56.79 1i7f n GLU 134 Cb 0.32 -1.38 -0.11 0.00 1.43 0.00 0.00 31.44 31.70 1i7f n GLU 134 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1i7f s GLY 135 N 0.30 1.56 0.00 -1.84 0.00 -1.26 -4.99 107.32 101.09 1i7f s GLY 135 Ca 0.08 -1.58 0.24 0.00 0.00 0.00 0.00 44.72 43.46 1i7f s GLY 135 CO 0.02 -1.63 1.32 1.22 0.00 0.00 0.00 173.10 174.03 1i7f n ASP 136 N 0.18 0.70 -3.85 1.64 10.43 -1.26 -4.68 116.55 119.70 1i7f n ASP 136 Ca -0.12 -0.50 -0.12 0.00 2.57 0.00 0.00 54.79 56.62 1i7f n ASP 136 Cb 0.57 0.39 -0.14 0.00 1.84 0.00 0.00 41.12 43.78 1i7f n ASP 136 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1i7f s THR 137 N -2.93 -0.01 0.19 -3.53 2.01 -1.26 -4.79 115.64 105.32 1i7f s THR 137 Ca 0.12 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 1i7f s THR 137 Cb 0.17 -0.05 0.11 0.00 0.01 0.00 0.00 72.50 72.75 1i7f s THR 137 CO 0.71 0.01 1.85 0.25 -0.69 0.00 0.00 174.62 176.75 1i7f h LEU 138 N 6.22 0.74 -1.43 4.42 5.85 -1.99 -0.98 115.31 128.15 1i7f h LEU 138 Ca -0.26 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1i7f h LEU 138 Cb 1.20 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1i7f h LEU 138 CO 0.49 0.55 0.13 0.00 -0.34 0.00 0.00 178.44 179.27 1i7f h ALA 139 N 1.23 1.55 -0.37 1.25 0.00 -1.96 0.15 119.26 121.11 1i7f h ALA 139 Ca 0.23 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1i7f h ALA 139 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1i7f h ALA 139 CO -0.05 0.35 -0.22 0.00 0.00 0.00 0.00 179.25 179.33 1i7f h ALA 140 N 1.63 0.52 -0.55 0.00 0.00 -1.71 -1.18 119.26 117.97 1i7f h ALA 140 Ca 0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1i7f h ALA 140 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i7f h ALA 140 CO -0.01 0.49 -0.02 -0.44 0.00 0.00 0.00 179.25 179.28 1i7f h ASP 141 N 0.59 0.96 -0.24 0.00 3.32 -0.39 -1.65 116.42 119.01 1i7f h ASP 141 Ca 0.08 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1i7f h ASP 141 Cb 0.78 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1i7f h ASP 141 CO 0.06 1.04 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.42 1i7f h LEU 142 N 0.85 0.64 -0.87 1.55 3.38 -0.69 -1.34 115.31 118.83 1i7f h LEU 142 Ca 0.15 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1i7f h LEU 142 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1i7f h LEU 142 CO 0.03 0.80 -0.39 -0.33 0.09 0.00 0.00 178.44 178.64 1i7f h GLU 143 N 0.59 0.36 -0.49 1.13 5.08 -1.02 -1.70 114.58 118.53 1i7f h GLU 143 Ca 0.10 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1i7f h GLU 143 Cb 0.57 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1i7f h GLU 143 CO 0.04 0.70 0.08 0.22 -1.00 0.00 0.00 179.01 179.05 1i7f h ASP 144 N 0.30 0.77 -0.30 1.42 3.58 -0.70 -2.78 116.42 118.71 1i7f h ASP 144 Ca 0.03 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.25 1i7f h ASP 144 Cb 0.82 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 1i7f h ASP 144 CO 0.07 0.83 0.12 0.22 -2.88 0.00 0.00 179.24 177.60 1i7f h TYR 145 N 0.68 0.22 0.00 0.28 3.20 -0.85 -2.67 116.97 117.83 1i7f h TYR 145 Ca 0.15 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1i7f h TYR 145 Cb 0.38 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1i7f h TYR 145 CO 0.03 0.11 0.01 1.19 -1.64 0.00 0.00 178.16 177.85 1i7f n PHE 146 N -5.00 0.00 0.00 -3.82 3.01 -0.68 -1.18 117.46 109.79 1i7f n PHE 146 Ca -0.00 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.02 1i7f n PHE 146 Cb 0.09 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 1i7f n PHE 146 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1i7f n ARG 148 N 1.83 0.00 0.00 -1.08 5.12 -1.01 0.68 116.66 122.21 1i7f n ARG 148 Ca 0.01 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.97 1i7f n ARG 148 Cb 0.22 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1i7f n ARG 148 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1i7f n SER 149 N 0.00 1.07 -3.99 0.55 3.41 -0.33 -5.01 113.62 109.32 1i7f n SER 149 Ca 0.00 -1.03 -0.20 0.00 -0.26 0.00 0.00 58.87 57.38 1i7f n SER 149 Cb 0.00 0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 1i7f n SER 149 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1i7f s GLU 150 N -1.26 0.85 0.02 4.33 0.41 0.21 -5.03 118.70 118.25 1i7f s GLU 150 Ca 0.07 -0.28 -0.18 0.00 -0.41 0.00 0.00 54.97 54.17 1i7f s GLU 150 Cb 0.07 -0.81 -0.25 0.00 -1.78 0.00 0.00 34.13 31.36 1i7f s GLU 150 CO 0.22 0.11 1.10 1.96 -0.49 0.00 0.00 175.26 178.17 1i7f h GLN 151 N 6.32 0.50 -6.26 1.61 1.08 -1.95 -3.44 115.11 112.97 1i7f h GLN 151 Ca -0.33 -0.57 -0.55 0.00 -1.45 0.00 0.00 58.65 55.75 1i7f h GLN 151 Cb 1.17 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1i7f h GLN 151 CO 0.49 1.20 1.21 -0.51 -0.95 0.00 0.00 178.83 180.27 1i7f s LEU 152 N -8.19 4.15 0.40 1.46 1.43 -1.26 -4.93 118.68 111.73 1i7f s LEU 152 Ca -0.12 2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 54.94 1i7f s LEU 152 Cb 0.04 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.63 1i7f s LEU 152 CO 0.86 -1.19 1.22 -2.65 0.23 0.00 0.00 176.35 174.81 1i7f n PRO 153 N 7.63 1.84 -3.86 1.29 -0.02 -1.26 -4.77 135.00 135.85 1i7f n PRO 153 Ca 0.20 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 62.22 1i7f n PRO 153 Cb 0.43 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 1i7f n PRO 153 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1i7f s THR 154 N -1.18 -0.00 0.05 3.45 2.01 -1.26 -1.88 115.64 116.83 1i7f s THR 154 Ca 0.60 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1i7f s THR 154 Cb -0.54 -0.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1i7f s THR 154 CO 0.59 0.00 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.23 1i7f s ARG 155 N 0.02 1.02 0.00 4.92 1.81 0.30 -4.94 118.95 122.08 1i7f s ARG 155 Ca -0.00 -0.86 0.04 0.00 -1.72 0.00 0.00 55.73 53.19 1i7f s ARG 155 Cb -0.00 -1.07 -0.01 0.00 -0.45 0.00 0.00 34.95 33.41 1i7f s ARG 155 CO 0.00 0.26 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.23 1i7f s LEU 156 N -1.31 2.06 -0.07 2.53 1.43 -1.26 -0.32 118.68 121.74 1i7f s LEU 156 Ca 0.03 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1i7f s LEU 156 Cb -0.09 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1i7f s LEU 156 CO 0.02 0.14 -0.04 -0.36 0.23 0.00 0.00 176.35 176.33 1i7f s PHE 157 N -0.45 0.91 -0.08 0.29 0.40 -1.26 -4.91 117.98 112.88 1i7f s PHE 157 Ca 0.04 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1i7f s PHE 157 Cb -0.06 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.62 1i7f s PHE 157 CO -0.00 -0.31 -0.16 0.42 0.70 0.00 0.00 175.22 175.87 1i7f s ILE 158 N 1.46 1.40 -0.04 0.64 1.01 -1.26 -4.12 121.20 120.29 1i7f s ILE 158 Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1i7f s ILE 158 Cb -0.13 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 1i7f s ILE 158 CO -0.03 0.41 -0.15 -0.13 0.00 0.00 0.00 174.94 175.04 1i7f s ARG 159 N 0.57 1.55 -0.01 2.79 1.81 0.15 -4.99 118.95 120.82 1i7f s ARG 159 Ca -0.16 -0.52 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 1i7f s ARG 159 Cb -0.16 -1.36 -0.01 0.00 -0.45 0.00 0.00 34.95 32.97 1i7f s ARG 159 CO 0.05 0.20 -0.11 -0.08 -0.68 0.00 0.00 175.30 174.68 1i7f s THR 160 N 0.11 0.85 0.00 0.02 -1.32 -1.26 -0.88 115.64 113.16 1i7f s THR 160 Ca -0.04 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1i7f s THR 160 Cb -0.11 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1i7f s THR 160 CO 0.02 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1i7f n GLY 161 N 2.89 1.37 3.27 6.08 0.00 -0.54 -5.02 105.19 113.24 1i7f n GLY 161 Ca -0.14 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1i7f n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i7f s ASP 162 N 1.27 2.63 -0.19 1.61 1.11 -1.26 -0.44 116.67 121.40 1i7f s ASP 162 Ca 0.00 -0.51 -0.04 0.00 0.18 0.00 0.00 52.55 52.17 1i7f s ASP 162 Cb 0.00 -0.24 0.06 0.00 1.07 0.00 0.00 42.92 43.82 1i7f s ASP 162 CO 0.00 0.20 0.08 -0.69 1.18 0.00 0.00 175.17 175.94 1i7f s VAL 163 N -0.75 0.10 -0.36 -1.27 1.01 0.15 -4.80 120.40 114.49 1i7f s VAL 163 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1i7f s VAL 163 Cb -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1i7f s VAL 163 CO 0.01 -0.31 0.31 0.47 0.00 0.00 0.00 175.10 175.58 1i7f n ASP 164 N 5.20 -2.90 0.00 3.32 10.43 -1.26 -2.86 116.55 128.49 1i7f n ASP 164 Ca -0.07 -0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.13 1i7f n ASP 164 Cb 0.48 -1.75 0.00 0.00 1.84 0.00 0.00 41.12 41.68 1i7f n ASP 164 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i7f n GLY 165 N -0.95 1.09 3.80 0.44 0.00 -1.26 -4.91 105.19 103.40 1i7f n GLY 165 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1i7f n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7f s LYS 166 N 0.00 4.36 0.32 1.61 1.02 -1.13 -5.03 119.74 120.88 1i7f s LYS 166 Ca 0.00 0.97 -0.28 0.00 0.02 0.00 0.00 55.97 56.68 1i7f s LYS 166 Cb 0.00 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.21 1i7f s LYS 166 CO 0.00 0.45 1.12 -1.25 -0.92 0.00 0.00 175.35 174.75 1i7f s PRO 167 N -1.70 4.47 0.06 -1.68 0.04 -1.26 0.33 135.00 135.26 1i7f s PRO 167 Ca 0.41 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1i7f s PRO 167 Cb -0.19 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1i7f s PRO 167 CO 0.22 0.06 0.10 0.00 0.04 0.00 0.00 177.00 177.42 1i7f s ALA 168 N -1.27 0.01 0.04 8.56 0.00 0.42 -4.66 121.76 124.86 1i7f s ALA 168 Ca 0.48 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1i7f s ALA 168 Cb -0.31 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1i7f s ALA 168 CO 0.40 -0.39 0.43 0.00 0.00 0.00 0.00 175.76 176.19 1i7f s ALA 169 N -3.28 -1.06 0.24 0.00 0.00 -0.64 -1.46 121.76 115.56 1i7f s ALA 169 Ca 0.01 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 1i7f s ALA 169 Cb 0.03 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1i7f s ALA 169 CO -0.08 -0.46 0.58 0.20 0.00 0.00 0.00 175.76 176.01 1i7f s GLY 170 N -1.97 0.13 0.00 0.00 0.00 -0.06 -0.22 107.32 105.20 1i7f s GLY 170 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1i7f s GLY 170 CO -0.02 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.37 1i7f n GLY 171 N -0.40 1.67 3.64 0.20 0.00 0.01 0.34 105.19 110.65 1i7f n GLY 171 Ca -0.05 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1i7f n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i7f s LEU 173 N 0.00 -0.54 -0.05 0.99 0.20 0.44 -0.61 118.68 119.11 1i7f s LEU 173 Ca 0.00 1.02 0.06 0.00 0.69 0.00 0.00 54.13 55.90 1i7f s LEU 173 Cb 0.00 2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 47.77 1i7f s LEU 173 CO 0.00 -0.17 -0.25 -0.76 -0.29 0.00 0.00 176.35 174.88 1i7f s LEU 174 N 0.38 2.06 -0.21 -0.68 1.43 0.56 -1.23 118.68 121.00 1i7f s LEU 174 Ca 0.01 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1i7f s LEU 174 Cb -0.05 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.88 1i7f s LEU 174 CO -0.06 0.25 0.51 -1.58 0.23 0.00 0.00 176.35 175.71 1i7f s GLN 175 N -0.20 0.53 0.00 1.70 0.74 -0.75 0.11 119.66 121.79 1i7f s GLN 175 Ca -0.02 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.28 1i7f s GLN 175 Cb -0.13 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.07 1i7f s GLN 175 CO 0.03 -0.14 0.00 0.28 -0.55 0.00 0.00 175.29 174.92 1i7f n VAL 176 N 3.93 0.00 -4.88 1.34 0.31 -0.79 -1.06 118.33 117.18 1i7f n VAL 176 Ca -0.20 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.85 1i7f n VAL 176 Cb 0.56 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.35 1i7f n VAL 176 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1i7f s PRO 178 N 0.00 1.67 0.09 5.55 0.05 -1.26 -4.76 135.00 136.34 1i7f s PRO 178 Ca 0.00 -0.97 -0.35 0.00 0.05 0.00 0.00 61.00 59.73 1i7f s PRO 178 Cb 0.00 -1.76 -0.18 0.00 0.05 0.00 0.00 34.50 32.61 1i7f s PRO 178 CO 0.00 0.46 0.90 0.00 0.05 0.00 0.00 177.00 178.41 1i7f n ALA 179 N 2.01 -2.99 -0.12 8.56 0.00 -1.26 -4.89 120.51 121.82 1i7f n ALA 179 Ca -0.17 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 1i7f n ALA 179 Cb 0.52 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 1i7f n ALA 179 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1i7f h GLN 180 N 2.39 0.59 -0.48 0.00 4.15 -2.03 -2.58 115.11 117.14 1i7f h GLN 180 Ca -0.42 -0.14 0.14 0.00 0.77 0.00 0.00 58.65 58.99 1i7f h GLN 180 Cb 1.42 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.01 1i7f h GLN 180 CO 0.63 0.63 0.35 -0.91 -1.93 0.00 0.00 178.83 177.60 1i7f h ASN 181 N 0.44 0.03 0.00 -0.69 -0.26 -2.09 -3.23 115.58 109.78 1i7f h ASN 181 Ca 0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.73 1i7f h ASN 181 Cb 0.31 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 1i7f h ASN 181 CO 0.00 0.01 -0.18 0.00 -1.06 0.00 0.00 177.43 176.21 1i7f n ALA 182 N -2.62 4.99 -1.70 -0.83 0.00 -0.97 -4.93 120.51 114.45 1i7f n ALA 182 Ca 0.09 -1.18 -0.43 0.00 0.00 0.00 0.00 53.44 51.91 1i7f n ALA 182 Cb 0.54 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 1i7f n ALA 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i7f n GLN 183 N 2.39 2.21 -0.34 0.00 6.02 -1.22 -4.74 117.38 121.70 1i7f n GLN 183 Ca 0.28 0.78 0.18 0.00 -0.01 0.00 0.00 57.00 58.24 1i7f n GLN 183 Cb 0.68 -2.45 0.40 0.00 1.02 0.00 0.00 30.24 29.89 1i7f n GLN 183 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1i7f h GLN 184 N 3.82 0.54 -0.38 -1.09 5.75 -1.93 -0.33 115.11 121.48 1i7f h GLN 184 Ca -0.46 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.08 1i7f h GLN 184 Cb 1.27 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 1i7f h GLN 184 CO 0.72 0.35 0.01 -0.44 -2.65 0.00 0.00 178.83 176.83 1i7f h ASP 185 N 0.55 -0.13 0.09 -0.69 5.19 -1.98 0.13 116.42 119.57 1i7f h ASP 185 Ca 0.64 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 57.14 1i7f h ASP 185 Cb 1.28 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1i7f h ASP 185 CO -0.46 -0.03 -0.04 0.44 -3.12 0.00 0.00 179.24 176.03 1i7f h ASP 186 N 0.12 -0.10 -0.37 6.45 3.45 -1.44 -2.53 116.42 121.99 1i7f h ASP 186 Ca 0.19 -0.30 0.07 0.00 0.43 0.00 0.00 57.03 57.42 1i7f h ASP 186 Cb 0.26 0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 38.99 1i7f h ASP 186 CO -0.30 0.26 -0.07 0.15 -1.57 0.00 0.00 179.24 177.71 1i7f h PHE 187 N -0.47 -0.15 -0.47 4.55 3.57 -1.15 -0.50 116.94 122.30 1i7f h PHE 187 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1i7f h PHE 187 Cb 0.40 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1i7f h PHE 187 CO 0.04 -0.14 0.32 -0.44 -2.23 0.00 0.00 178.31 175.86 1i7f h ASP 188 N 0.02 0.40 0.17 0.41 5.19 -0.75 -0.18 116.42 121.68 1i7f h ASP 188 Ca 0.18 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1i7f h ASP 188 Cb 0.27 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1i7f h ASP 188 CO -0.37 0.27 -0.08 -0.74 -3.12 0.00 0.00 179.24 175.20 1i7f h HIS 189 N 0.46 -0.21 -0.65 4.55 2.76 -0.68 -0.36 115.15 121.02 1i7f h HIS 189 Ca 0.20 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1i7f h HIS 189 Cb 0.22 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 1i7f h HIS 189 CO -0.00 0.10 0.35 -0.07 -1.30 0.00 0.00 177.93 177.01 1i7f h LEU 190 N -0.52 0.51 -1.25 0.26 3.38 -0.66 0.38 115.31 117.40 1i7f h LEU 190 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1i7f h LEU 190 Cb 0.40 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1i7f h LEU 190 CO 0.04 0.33 0.17 0.00 0.09 0.00 0.00 178.44 179.06 1i7f h ALA 191 N 1.35 1.41 0.00 1.53 0.00 -0.95 0.29 119.26 122.88 1i7f h ALA 191 Ca 0.30 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1i7f h ALA 191 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i7f h ALA 191 CO -0.19 0.44 -0.81 1.15 0.00 0.00 0.00 179.25 179.84 1i7f h THR 192 N 0.68 1.51 0.00 0.00 2.02 -0.08 -2.99 112.91 114.05 1i7f h THR 192 Ca 0.16 -2.85 -0.00 0.00 0.77 0.00 0.00 66.41 64.50 1i7f h THR 192 Cb 0.17 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1i7f h THR 192 CO -0.01 0.79 -0.00 0.25 0.37 0.00 0.00 175.52 176.92 1i7f h LEU 193 N 0.00 -0.00 -1.04 2.58 6.46 0.12 -3.19 115.31 120.23 1i7f h LEU 193 Ca -0.01 -0.31 -0.07 0.00 -0.12 0.00 0.00 57.88 57.37 1i7f h LEU 193 Cb 1.50 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 1i7f h LEU 193 CO 0.11 0.31 -0.32 0.71 -0.62 0.00 0.00 178.44 178.62 1i7f h THR 194 N -0.32 0.80 0.00 1.05 1.35 -1.06 -2.97 112.91 111.75 1i7f h THR 194 Ca -0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1i7f h THR 194 Cb 0.31 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1i7f h THR 194 CO 0.00 0.32 0.00 1.21 -0.25 0.00 0.00 175.52 176.80 1i7f n GLU 195 N -3.52 0.47 -0.18 4.72 4.07 -1.13 -1.18 120.64 123.89 1i7f n GLU 195 Ca -0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1i7f n GLU 195 Cb 0.47 -1.30 0.21 0.00 -0.06 0.00 0.00 31.44 30.76 1i7f n GLU 195 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1i7f n THR 196 N -0.80 0.49 -1.98 6.31 -2.24 -1.12 -4.91 114.28 110.02 1i7f n THR 196 Ca 0.07 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 1i7f n THR 196 Cb 0.03 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1i7f n THR 196 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1i7f s ILE 197 N -1.50 3.50 0.09 2.28 1.10 -0.33 -4.95 121.20 121.40 1i7f s ILE 197 Ca 0.38 0.57 -0.31 0.00 -0.51 0.00 0.00 60.65 60.79 1i7f s ILE 197 Cb 0.23 -3.50 -0.07 0.00 0.15 0.00 0.00 42.46 39.27 1i7f s ILE 197 CO 0.31 -0.19 1.33 -0.54 -2.11 0.00 0.00 174.94 173.74 1i7f s LYS 198 N 4.80 4.35 0.33 3.50 1.02 -1.26 -4.90 119.74 127.58 1i7f s LYS 198 Ca 0.78 1.97 0.08 0.00 0.02 0.00 0.00 55.97 58.81 1i7f s LYS 198 Cb -0.29 -3.30 0.78 0.00 -0.52 0.00 0.00 37.83 34.50 1i7f s LYS 198 CO 0.32 -0.39 1.82 0.00 -0.92 0.00 0.00 175.35 176.18 1i7f h THR 199 N 4.37 0.77 0.00 2.17 1.03 -2.00 0.34 112.91 119.60 1i7f h THR 199 Ca -0.42 -0.25 -0.08 0.00 -0.01 0.00 0.00 66.41 65.65 1i7f h THR 199 Cb 1.21 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 1i7f h THR 199 CO 0.85 0.13 -0.40 1.05 -0.01 0.00 0.00 175.52 177.14 1i7f h GLU 200 N 0.73 0.00 0.06 0.00 9.09 -1.98 -1.41 114.58 121.07 1i7f h GLU 200 Ca 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.92 1i7f h GLU 200 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1i7f h GLU 200 CO -0.28 0.40 -0.03 1.49 0.05 0.00 0.00 179.01 180.64 1i7f h GLU 201 N 0.00 -0.08 -0.64 1.06 4.81 -0.77 -2.82 114.58 116.14 1i7f h GLU 201 Ca -0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1i7f h GLU 201 Cb 0.72 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1i7f h GLU 201 CO 0.05 0.26 0.14 1.25 -0.73 0.00 0.00 179.01 179.99 1i7f h LEU 202 N -0.42 0.96 -0.13 1.64 5.85 -0.85 -2.46 115.31 119.91 1i7f h LEU 202 Ca -0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1i7f h LEU 202 Cb 0.38 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1i7f h LEU 202 CO 0.01 0.94 -0.13 0.18 -0.34 0.00 0.00 178.44 179.10 1i7f n LEU 203 N -4.24 0.33 -0.00 2.25 4.77 -0.55 -4.31 117.00 115.24 1i7f n LEU 203 Ca 0.05 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1i7f n LEU 203 Cb 0.26 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1i7f n LEU 203 CO 0.42 0.07 -0.50 0.35 -1.33 0.00 0.00 177.39 176.39 1i7f n THR 204 N -1.18 0.00 -3.06 -5.08 -2.24 -1.07 -5.06 114.28 96.59 1i7f n THR 204 Ca 0.12 -0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.58 1i7f n THR 204 Cb 0.30 -0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 1i7f n THR 204 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i7f s LEU 205 N -4.12 4.00 0.64 3.22 1.43 -0.93 -5.04 118.68 117.87 1i7f s LEU 205 Ca -0.00 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.18 1i7f s LEU 205 Cb 0.00 -4.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 1i7f s LEU 205 CO 0.00 -0.26 1.20 -2.16 0.23 0.00 0.00 176.35 175.36 1i7f s PRO 206 N -3.20 2.71 0.12 1.29 0.04 -1.26 -4.81 135.00 129.89 1i7f s PRO 206 Ca 0.54 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1i7f s PRO 206 Cb -0.10 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1i7f s PRO 206 CO 0.21 -1.40 1.58 0.00 0.04 0.00 0.00 177.00 177.43 1i7f h ALA 207 N 0.44 -0.66 -0.88 8.56 0.00 -1.96 -1.58 119.26 123.17 1i7f h ALA 207 Ca -0.49 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 54.64 1i7f h ALA 207 Cb 1.29 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1i7f h ALA 207 CO 0.53 -0.96 0.72 -2.95 0.00 0.00 0.00 179.25 176.60 1i7f h ASN 208 N -0.55 0.00 0.16 0.00 7.08 -2.00 -0.14 115.58 120.13 1i7f h ASN 208 Ca 0.05 0.00 -0.25 0.00 -3.08 0.00 0.00 56.30 53.02 1i7f h ASN 208 Cb 0.65 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.92 1i7f h ASN 208 CO -0.35 0.00 -1.08 -0.08 -2.08 0.00 0.00 177.43 173.84 1i7f h GLU 209 N 0.00 0.46 -0.38 4.14 4.81 -1.66 -2.86 114.58 119.09 1i7f h GLU 209 Ca 0.42 -0.70 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1i7f h GLU 209 Cb 1.86 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 31.46 1i7f h GLU 209 CO -0.00 1.32 0.23 0.28 -0.73 0.00 0.00 179.01 180.10 1i7f h VAL 210 N -0.05 1.05 -0.03 0.32 2.07 -0.66 0.59 116.25 119.55 1i7f h VAL 210 Ca -0.18 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1i7f h VAL 210 Cb 1.82 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1i7f h VAL 210 CO 0.20 0.08 -0.26 -0.07 0.02 0.00 0.00 177.57 177.55 1i7f h LEU 211 N 0.46 -0.82 -1.42 2.57 3.38 -1.26 -0.41 115.31 117.82 1i7f h LEU 211 Ca 0.15 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1i7f h LEU 211 Cb -0.01 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1i7f h LEU 211 CO -0.06 -0.25 -0.29 4.11 0.09 0.00 0.00 178.44 182.04 1i7f h TRP 212 N -0.31 0.00 0.00 1.13 5.08 -1.42 0.77 115.95 121.21 1i7f h TRP 212 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1i7f h TRP 212 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 1i7f h TRP 212 CO -0.47 0.29 0.00 -0.09 -1.28 0.00 0.00 178.44 176.89 1i7f h ARG 213 N 0.00 0.00 0.00 0.12 2.43 -0.49 -2.10 114.38 114.35 1i7f h ARG 213 Ca -0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1i7f h ARG 213 Cb 0.55 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 1i7f h ARG 213 CO 0.04 0.00 -2.24 1.28 -1.51 0.00 0.00 179.97 177.54 1i7f n LEU 214 N -2.84 2.07 -2.08 3.80 4.77 -0.20 -4.77 117.00 117.75 1i7f n LEU 214 Ca 0.00 0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.88 1i7f n LEU 214 Cb 0.24 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1i7f n LEU 214 CO 0.24 0.60 0.20 -1.22 -1.33 0.00 0.00 177.39 175.88 1i7f n TYR 215 N -3.70 2.83 0.27 -1.77 0.53 0.25 -4.79 117.16 110.79 1i7f n TYR 215 Ca -0.42 -2.33 0.17 0.00 -1.02 0.00 0.00 57.90 54.29 1i7f n TYR 215 Cb 0.84 -0.33 0.69 0.00 -1.03 0.00 0.00 39.34 39.52 1i7f n TYR 215 CO 0.00 0.00 0.00 1.12 -1.02 0.00 0.00 176.86 176.96 1i7f h HIS 216 N 2.22 0.00 0.00 -0.72 2.07 -1.55 -2.72 115.15 114.45 1i7f h HIS 216 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 1i7f h HIS 216 Cb 1.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.44 1i7f h HIS 216 CO 0.86 0.03 -0.35 0.93 -3.07 0.00 0.00 177.93 176.33 1i7f h GLU 217 N 0.00 0.00 -6.18 5.12 5.08 -1.86 -3.47 114.58 113.27 1i7f h GLU 217 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1i7f h GLU 217 Cb 0.50 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1i7f h GLU 217 CO 0.00 0.00 -0.53 -1.21 -1.00 0.00 0.00 179.01 176.27 1i7f s GLU 218 N -3.17 3.01 -0.51 2.33 0.41 -1.03 -5.07 118.70 114.68 1i7f s GLU 218 Ca 0.07 -0.89 -0.26 0.00 -0.41 0.00 0.00 54.97 53.48 1i7f s GLU 218 Cb 0.11 -2.67 0.03 0.00 -1.78 0.00 0.00 34.13 29.82 1i7f s GLU 218 CO 0.68 0.46 1.03 -2.00 -0.49 0.00 0.00 175.26 174.93 1i7f s GLU 219 N -3.43 3.51 0.01 1.61 2.56 -1.26 -5.02 118.70 116.69 1i7f s GLU 219 Ca 0.32 0.15 0.07 0.00 0.00 0.00 0.00 54.97 55.51 1i7f s GLU 219 Cb -0.09 -3.97 -0.02 0.00 2.00 0.00 0.00 34.13 32.05 1i7f s GLU 219 CO 0.25 -1.41 -0.20 0.08 -0.56 0.00 0.00 175.26 173.41 1i7f s VAL 220 N 4.19 1.60 -0.18 3.70 1.01 -1.26 -5.12 120.40 124.34 1i7f s VAL 220 Ca 0.39 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1i7f s VAL 220 Cb -0.10 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 1i7f s VAL 220 CO 0.26 0.34 -0.12 -0.89 0.00 0.00 0.00 175.10 174.69 1i7f s THR 221 N -0.60 2.87 -0.11 3.92 2.01 -1.26 -5.10 115.64 117.36 1i7f s THR 221 Ca 0.07 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1i7f s THR 221 Cb -0.08 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1i7f s THR 221 CO 0.00 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 1i7f s VAL 222 N 1.03 3.96 0.52 3.82 1.01 -1.26 -5.11 120.40 124.36 1i7f s VAL 222 Ca -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1i7f s VAL 222 Cb -0.15 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1i7f s VAL 222 CO -0.02 0.55 0.55 -0.31 0.00 0.00 0.00 175.10 175.87 1i7f s TYR 223 N -0.29 1.86 0.29 5.22 1.51 -1.26 -5.06 117.35 119.62 1i7f s TYR 223 Ca 0.05 -0.69 -0.29 0.00 -1.01 0.00 0.00 57.07 55.12 1i7f s TYR 223 Cb -0.12 -2.11 -0.13 0.00 -0.11 0.00 0.00 41.96 39.49 1i7f s TYR 223 CO 0.02 -0.64 1.30 -0.25 -1.11 0.00 0.00 175.55 174.87 1i7f n ASP 224 N -1.90 2.54 -4.77 2.29 10.43 -1.26 -4.96 116.55 118.92 1i7f n ASP 224 Ca 0.06 1.18 -0.30 0.00 2.57 0.00 0.00 54.79 58.30 1i7f n ASP 224 Cb 0.62 -1.43 0.10 0.00 1.84 0.00 0.00 41.12 42.25 1i7f n ASP 224 CO 0.00 0.00 0.00 -2.84 -1.07 0.00 0.00 177.20 173.29 1i7f s PRO 225 N -1.22 2.05 -0.05 -0.24 0.02 -1.26 -5.06 135.00 129.23 1i7f s PRO 225 Ca 0.61 0.86 0.02 0.00 0.02 0.00 0.00 61.00 62.52 1i7f s PRO 225 Cb -0.62 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.01 1i7f s PRO 225 CO 0.57 -1.70 -0.11 -1.14 -0.33 0.00 0.00 177.00 174.29 1i7f s GLN 226 N -5.02 1.41 0.10 5.54 0.74 -1.26 -5.12 119.66 116.06 1i7f s GLN 226 Ca 0.61 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 55.36 1i7f s GLN 226 Cb -0.16 -1.22 -0.07 0.00 1.10 0.00 0.00 33.01 32.67 1i7f s GLN 226 CO 0.56 0.04 1.27 -0.51 -0.55 0.00 0.00 175.29 176.09 1i7f s ASP 227 N 0.58 6.98 -0.23 6.67 1.01 -1.26 -5.01 116.67 125.41 1i7f s ASP 227 Ca -0.11 2.17 -0.07 0.00 0.71 0.00 0.00 52.55 55.25 1i7f s ASP 227 Cb -0.14 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 1i7f s ASP 227 CO 0.02 -0.52 0.05 -0.69 0.21 0.00 0.00 175.17 174.25 1i7f s VAL 228 N 0.86 4.33 0.22 -1.27 1.01 -1.26 -5.09 120.40 119.20 1i7f s VAL 228 Ca 0.60 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 1i7f s VAL 228 Cb -0.33 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1i7f s VAL 228 CO 0.31 0.38 0.16 -1.83 0.00 0.00 0.00 175.10 174.12 1i7f s GLU 229 N 1.26 1.30 0.10 2.72 -1.05 -1.26 -5.14 118.70 116.63 1i7f s GLU 229 Ca 0.04 -1.68 -0.30 0.00 -0.15 0.00 0.00 54.97 52.89 1i7f s GLU 229 Cb -0.15 0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.77 1i7f s GLU 229 CO 0.03 -0.44 0.99 0.12 0.95 0.00 0.00 175.26 176.91 1i7f s PHE 230 N -4.04 3.75 -1.03 4.83 5.36 -1.26 -4.99 117.98 120.60 1i7f s PHE 230 Ca 0.39 1.74 -0.15 0.00 -0.96 0.00 0.00 56.93 57.95 1i7f s PHE 230 Cb 0.06 -3.11 0.18 0.00 -0.34 0.00 0.00 43.02 39.81 1i7f s PHE 230 CO 0.14 0.01 1.18 0.21 -1.46 0.00 0.00 175.22 175.30 1i7f s LYS 231 N 0.11 3.85 0.42 10.12 2.20 -1.26 -5.01 119.74 130.17 1i7f s LYS 231 Ca 0.48 -2.34 -0.18 0.00 -0.36 0.00 0.00 55.97 53.58 1i7f s LYS 231 Cb -0.24 -4.85 -0.09 0.00 -1.51 0.00 0.00 37.83 31.14 1i7f s LYS 231 CO 0.30 -1.63 0.90 0.00 -0.36 0.00 0.00 175.35 174.56