#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hom n PHE 1 N 0.00 2.10 -2.88 -1.40 7.35 -1.26 -5.02 117.46 116.35 3hom n PHE 1 Ca 0.00 -2.21 -0.42 0.00 -0.76 0.00 0.00 57.45 54.06 3hom n PHE 1 Cb 0.00 -0.29 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 3hom n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3hom s ASN 2 N -3.68 6.68 -0.02 -2.13 0.01 -1.26 -5.03 114.94 109.50 3hom s ASN 2 Ca 0.40 0.64 -0.03 0.00 -0.71 0.00 0.00 52.86 53.17 3hom s ASN 2 Cb 0.37 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 3hom s ASN 2 CO 0.00 -0.71 0.17 -0.76 -1.51 0.00 0.00 177.10 174.30 3hom s LEU 3 N 3.15 4.35 0.43 0.60 1.43 -1.26 -0.31 118.68 127.07 3hom s LEU 3 Ca 0.35 0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 53.57 3hom s LEU 3 Cb -0.13 -2.53 -0.08 0.00 0.03 0.00 0.00 46.19 43.47 3hom s LEU 3 CO 0.15 0.28 1.10 -2.84 0.23 0.00 0.00 176.35 175.26 3hom s PRO 4 N -1.82 3.97 0.76 1.29 0.02 -1.26 -4.63 135.00 133.33 3hom s PRO 4 Ca 0.26 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 3hom s PRO 4 Cb -0.13 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 31.99 3hom s PRO 4 CO 0.17 -0.34 1.09 -1.25 -0.33 0.00 0.00 177.00 176.34 3hom s PRO 5 N -2.64 2.38 0.00 5.54 0.04 -1.26 -4.93 135.00 134.13 3hom s PRO 5 Ca 0.61 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3hom s PRO 5 Cb -0.24 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3hom s PRO 5 CO 0.30 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.33 3hom n GLY 6 N -2.26 1.65 0.82 0.56 0.00 -1.26 -5.11 105.19 99.59 3hom n GLY 6 Ca 0.07 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 3hom n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hom n ASN 7 N -0.23 2.28 -1.08 1.61 0.23 -1.26 -5.06 115.26 111.76 3hom n ASN 7 Ca 0.00 -1.50 0.08 0.00 -0.53 0.00 0.00 54.58 52.63 3hom n ASN 7 Cb 0.00 0.09 0.28 0.00 -2.08 0.00 0.00 39.78 38.07 3hom n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hom n TYR 8 N -0.28 1.13 -0.01 -2.53 4.01 -1.26 -4.72 117.16 113.49 3hom n TYR 8 Ca -0.05 -0.82 -0.10 0.00 -0.16 0.00 0.00 57.90 56.77 3hom n TYR 8 Cb 0.15 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 3hom n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3hom h LYS 9 N 2.28 -0.38 -6.31 -0.72 1.57 -1.97 -3.43 116.57 107.62 3hom h LYS 9 Ca 0.00 0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.22 3hom h LYS 9 Cb 1.49 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 33.78 3hom h LYS 9 CO 0.26 -0.25 -0.66 0.15 -0.57 0.00 0.00 179.45 178.37 3hom s LYS 10 N -5.99 2.30 1.11 3.15 1.02 -1.26 -5.10 119.74 114.96 3hom s LYS 10 Ca -0.15 -1.26 -0.13 0.00 0.02 0.00 0.00 55.97 54.45 3hom s LYS 10 Cb 0.11 -2.25 0.25 0.00 -0.52 0.00 0.00 37.83 35.42 3hom s LYS 10 CO 0.66 0.42 1.05 -1.25 -0.92 0.00 0.00 175.35 175.31 3hom s PRO 11 N -3.21 -0.48 0.32 -1.68 0.04 -1.26 -4.81 135.00 123.93 3hom s PRO 11 Ca 0.28 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 3hom s PRO 11 Cb -0.08 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.85 3hom s PRO 11 CO 0.18 -3.37 0.61 -1.59 0.04 0.00 0.00 177.00 172.88 3hom s LYS 12 N -4.73 1.89 -0.12 4.56 0.00 0.29 -4.31 119.74 117.31 3hom s LYS 12 Ca 0.67 -1.40 0.01 0.00 0.00 0.00 0.00 55.97 55.25 3hom s LYS 12 Cb -0.21 0.53 -0.01 0.00 0.00 0.00 0.00 37.83 38.13 3hom s LYS 12 CO 0.61 -0.83 -0.14 -0.51 0.00 0.00 0.00 175.35 174.48 3hom s LEU 13 N -3.08 2.64 -0.50 2.77 1.43 0.87 -0.85 118.68 121.96 3hom s LEU 13 Ca 0.21 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 3hom s LEU 13 Cb -0.03 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.66 3hom s LEU 13 CO 0.12 0.17 0.67 -0.76 0.23 0.00 0.00 176.35 176.78 3hom s LEU 14 N 0.31 4.77 -0.20 1.79 1.43 -1.26 -0.25 118.68 125.27 3hom s LEU 14 Ca -0.11 -0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 3hom s LEU 14 Cb -0.16 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3hom s LEU 14 CO 0.06 -0.91 0.61 -0.47 0.23 0.00 0.00 176.35 175.86 3hom s TYR 15 N 2.83 3.38 -0.29 0.29 5.04 0.12 -1.35 117.35 127.37 3hom s TYR 15 Ca 0.18 0.90 -0.13 0.00 -2.44 0.00 0.00 57.07 55.58 3hom s TYR 15 Cb -0.17 -2.77 -0.04 0.00 0.35 0.00 0.00 41.96 39.33 3hom s TYR 15 CO 0.14 -0.15 0.29 0.00 -1.34 0.00 0.00 175.55 174.49 3hom h SER 17 N 8.32 0.00 0.46 0.00 4.64 -1.71 0.03 113.55 125.28 3hom h SER 17 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3hom h SER 17 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 3hom h SER 17 CO 0.61 0.00 -0.43 -1.13 -0.87 0.00 0.00 176.83 175.02 3hom h ASN 18 N 0.00 -1.16 0.00 4.97 -1.24 -1.77 -3.35 115.58 113.03 3hom h ASN 18 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3hom h ASN 18 Cb 0.28 0.38 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3hom h ASN 18 CO 0.00 -0.59 0.00 0.61 -1.29 0.00 0.00 177.43 176.16 3hom n GLY 19 N -1.52 -0.38 1.47 1.57 0.00 -1.24 -4.78 105.19 100.32 3hom n GLY 19 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3hom n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hom n GLY 20 N 0.38 0.78 3.83 -0.02 0.00 -0.02 -5.03 105.19 105.11 3hom n GLY 20 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3hom n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hom s HIS 21 N -2.15 3.15 -0.13 1.61 3.76 -1.14 -4.62 115.29 115.78 3hom s HIS 21 Ca 0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 3hom s HIS 21 Cb 0.00 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 3hom s HIS 21 CO 0.00 0.52 0.05 -0.06 -0.85 0.00 0.00 174.74 174.40 3hom s PHE 22 N -1.98 3.28 0.14 1.40 0.08 0.19 -0.01 117.98 121.08 3hom s PHE 22 Ca 0.32 0.20 -0.32 0.00 0.12 0.00 0.00 56.93 57.25 3hom s PHE 22 Cb -0.09 -1.94 -0.11 0.00 -0.57 0.00 0.00 43.02 40.31 3hom s PHE 22 CO 0.25 0.39 1.79 -0.11 -0.10 0.00 0.00 175.22 177.44 3hom n LEU 23 N 2.68 3.95 -4.15 -0.37 7.94 -0.46 -1.80 117.00 124.79 3hom n LEU 23 Ca -0.18 1.01 -0.27 0.00 -1.11 0.00 0.00 56.01 55.47 3hom n LEU 23 Cb 0.53 -1.54 -0.16 0.00 0.53 0.00 0.00 43.42 42.78 3hom n LEU 23 CO 0.32 0.14 -0.51 -0.60 -1.11 0.00 0.00 177.39 175.63 3hom s ARG 24 N 2.21 1.85 -0.35 1.96 3.52 0.30 -4.46 118.95 123.98 3hom s ARG 24 Ca 0.80 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 3hom s ARG 24 Cb -0.51 -1.61 0.10 0.00 -1.56 0.00 0.00 34.95 31.37 3hom s ARG 24 CO 0.36 0.27 0.08 0.42 -0.81 0.00 0.00 175.30 175.62 3hom s ILE 25 N -0.01 2.59 0.68 4.11 1.01 -0.84 -1.29 121.20 127.45 3hom s ILE 25 Ca -0.03 -2.18 -0.14 0.00 0.00 0.00 0.00 60.65 58.30 3hom s ILE 25 Cb -0.12 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3hom s ILE 25 CO 0.02 -0.57 1.09 -0.76 0.00 0.00 0.00 174.94 174.73 3hom s LEU 26 N 1.00 3.31 0.25 2.97 1.43 -0.37 -4.85 118.68 122.42 3hom s LEU 26 Ca 0.08 1.90 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 3hom s LEU 26 Cb -0.20 -4.54 0.49 0.00 0.03 0.00 0.00 46.19 41.97 3hom s LEU 26 CO -0.06 -1.64 1.75 -0.65 0.23 0.00 0.00 176.35 175.98 3hom h PRO 27 N -0.22 0.54 0.00 1.29 0.11 -1.99 -1.32 132.00 130.41 3hom h PRO 27 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hom h PRO 27 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hom h PRO 27 CO 0.54 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 3hom n ASP 28 N -4.91 0.00 0.00 -2.05 5.75 -1.26 -4.86 116.55 109.22 3hom n ASP 28 Ca 0.16 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 3hom n ASP 28 Cb 0.41 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3hom n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hom n GLY 29 N -0.04 0.66 3.82 6.12 0.00 -0.50 -4.97 105.19 110.29 3hom n GLY 29 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3hom n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hom s THR 30 N -2.00 4.59 -0.08 2.61 -1.32 -1.25 -0.48 115.64 117.70 3hom s THR 30 Ca 0.00 1.26 0.02 0.00 -1.21 0.00 0.00 61.69 61.76 3hom s THR 30 Cb 0.00 -3.85 -0.02 0.00 -1.51 0.00 0.00 72.50 67.12 3hom s THR 30 CO 0.00 0.21 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.78 3hom s VAL 31 N -1.51 2.93 0.00 5.08 1.01 -1.26 -1.23 120.40 125.41 3hom s VAL 31 Ca 0.43 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3hom s VAL 31 Cb -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3hom s VAL 31 CO 0.21 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 174.97 3hom n ASP 32 N 2.91 0.00 -4.16 3.32 5.75 -0.41 -4.31 116.55 119.64 3hom n ASP 32 Ca -0.18 -0.35 -0.20 0.00 -0.01 0.00 0.00 54.79 54.06 3hom n ASP 32 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 3hom n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hom s GLY 33 N -0.48 0.85 0.15 6.12 0.00 0.14 0.11 107.32 114.21 3hom s GLY 33 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3hom s GLY 33 CO 0.00 -0.90 -0.03 -1.08 0.00 0.00 0.00 173.10 171.09 3hom s THR 34 N -0.99 0.73 -0.06 0.90 -1.32 -0.74 -4.74 115.64 109.41 3hom s THR 34 Ca 0.01 -1.97 0.18 0.00 -1.21 0.00 0.00 61.69 58.70 3hom s THR 34 Cb -0.09 -1.95 -0.28 0.00 -1.51 0.00 0.00 72.50 68.67 3hom s THR 34 CO 0.02 -0.63 0.34 0.54 -2.21 0.00 0.00 174.62 172.68 3hom n ARG 35 N -0.17 0.69 -1.97 7.08 1.74 -1.26 0.53 116.66 123.30 3hom n ARG 35 Ca -0.09 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.43 3hom n ARG 35 Cb 0.62 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 3hom n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hom s ASP 36 N -4.39 5.74 0.22 0.55 2.15 -1.26 -4.84 116.67 114.84 3hom s ASP 36 Ca -0.07 1.22 0.22 0.00 0.43 0.00 0.00 52.55 54.34 3hom s ASP 36 Cb 0.11 -2.52 0.92 0.00 -0.30 0.00 0.00 42.92 41.13 3hom s ASP 36 CO 0.77 -1.84 1.67 0.54 -0.17 0.00 0.00 175.17 176.14 3hom n ARG 37 N 8.55 0.16 0.03 4.34 1.74 -1.26 -2.21 116.66 128.01 3hom n ARG 37 Ca 0.23 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 3hom n ARG 37 Cb 0.48 -1.81 0.42 0.00 -1.02 0.00 0.00 32.46 30.52 3hom n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hom n SER 38 N -2.12 0.40 -4.67 0.55 3.41 -1.26 -4.87 113.62 105.07 3hom n SER 38 Ca 0.02 0.29 -0.47 0.00 -0.26 0.00 0.00 58.87 58.45 3hom n SER 38 Cb 0.21 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 3hom n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hom n ASP 39 N -1.77 3.03 -0.74 4.04 -0.08 -0.94 -4.87 116.55 115.23 3hom n ASP 39 Ca 0.06 1.06 0.03 0.00 -1.51 0.00 0.00 54.79 54.43 3hom n ASP 39 Cb 0.37 -1.39 0.13 0.00 2.34 0.00 0.00 41.12 42.57 3hom n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hom n GLN 40 N 4.00 1.98 -0.51 -0.67 1.13 -1.26 -3.85 117.38 118.21 3hom n GLN 40 Ca 0.18 -0.99 0.07 0.00 -1.94 0.00 0.00 57.00 54.32 3hom n GLN 40 Cb 0.28 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.29 3hom n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3hom n HIS 41 N 0.22 0.00 0.10 1.08 8.25 -1.26 -4.59 115.22 119.03 3hom n HIS 41 Ca 0.09 -1.14 0.01 0.00 -0.26 0.00 0.00 57.72 56.42 3hom n HIS 41 Cb 0.40 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 3hom n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3hom n ILE 42 N -0.99 0.00 -2.42 1.59 -5.35 -1.25 -1.98 119.36 108.95 3hom n ILE 42 Ca 0.16 -0.43 -0.43 0.00 -0.27 0.00 0.00 62.75 61.78 3hom n ILE 42 Cb 0.72 0.98 -0.02 0.00 -1.74 0.00 0.00 39.64 39.57 3hom n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3hom s GLN 43 N -1.26 3.59 -0.08 6.28 1.11 -1.26 -4.47 119.66 123.57 3hom s GLN 43 Ca 0.01 0.79 0.02 0.00 0.01 0.00 0.00 55.36 56.19 3hom s GLN 43 Cb 0.02 -4.00 -0.02 0.00 -1.01 0.00 0.00 33.01 27.99 3hom s GLN 43 CO 0.09 -1.55 -0.13 -0.51 0.01 0.00 0.00 175.29 173.20 3hom s LEU 44 N 5.23 2.79 -0.24 2.90 1.43 -0.03 -1.95 118.68 128.82 3hom s LEU 44 Ca 0.57 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3hom s LEU 44 Cb -0.12 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3hom s LEU 44 CO 0.32 0.28 0.10 -1.58 0.23 0.00 0.00 176.35 175.70 3hom s GLN 45 N -0.34 3.81 0.08 1.70 2.00 0.17 -0.55 119.66 126.53 3hom s GLN 45 Ca 0.03 -0.41 0.02 0.00 -2.00 0.00 0.00 55.36 53.01 3hom s GLN 45 Cb -0.13 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.27 3hom s GLN 45 CO 0.02 -0.06 0.16 -0.51 -0.50 0.00 0.00 175.29 174.41 3hom s LEU 46 N 1.31 4.12 0.00 3.68 1.02 -1.26 -0.99 118.68 126.56 3hom s LEU 46 Ca 0.05 0.13 -0.08 0.00 0.02 0.00 0.00 54.13 54.26 3hom s LEU 46 Cb -0.15 -2.75 0.00 0.00 0.02 0.00 0.00 46.19 43.32 3hom s LEU 46 CO 0.05 0.15 0.14 -0.94 0.02 0.00 0.00 176.35 175.77 3hom s SER 47 N -2.57 0.02 -0.12 2.29 1.04 -0.86 -4.77 113.70 108.72 3hom s SER 47 Ca 0.33 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 3hom s SER 47 Cb -0.12 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3hom s SER 47 CO 0.26 -0.37 0.09 0.00 0.98 0.00 0.00 173.24 174.20 3hom s ALA 48 N -1.38 3.66 0.00 5.32 0.00 -1.26 -0.74 121.76 127.36 3hom s ALA 48 Ca -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3hom s ALA 48 Cb -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3hom s ALA 48 CO 0.02 0.54 0.00 -1.91 0.00 0.00 0.00 175.76 174.41 3hom n GLU 49 N 2.25 0.00 -1.38 0.00 4.07 -0.85 -4.99 120.64 119.74 3hom n GLU 49 Ca -0.19 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.84 3hom n GLU 49 Cb 0.54 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.95 3hom n GLU 49 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3hom n SER 50 N 0.00 0.52 -4.70 4.31 7.64 -1.26 -4.96 113.62 115.16 3hom n SER 50 Ca 0.00 -1.41 -0.42 0.00 1.01 0.00 0.00 58.87 58.05 3hom n SER 50 Cb 0.00 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 3hom n SER 50 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hom s VAL 51 N -0.52 3.47 0.00 0.44 1.01 -1.26 -2.58 120.40 120.96 3hom s VAL 51 Ca 0.20 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3hom s VAL 51 Cb -0.01 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3hom s VAL 51 CO 0.13 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3hom n GLY 52 N 3.57 1.01 3.60 4.51 0.00 -1.26 -5.03 105.19 111.60 3hom n GLY 52 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3hom n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hom s GLU 53 N -0.20 2.97 0.08 1.61 2.02 -1.07 -0.83 118.70 123.28 3hom s GLU 53 Ca 0.00 -0.50 0.02 0.00 0.02 0.00 0.00 54.97 54.51 3hom s GLU 53 Cb 0.00 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 3hom s GLU 53 CO 0.00 0.60 -0.07 0.14 0.02 0.00 0.00 175.26 175.95 3hom s VAL 54 N -0.63 0.65 -0.16 2.63 -7.23 0.17 -2.01 120.40 113.82 3hom s VAL 54 Ca 0.10 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3hom s VAL 54 Cb -0.12 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3hom s VAL 54 CO 0.02 -0.68 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.66 3hom s TYR 55 N -2.75 2.78 -0.36 2.82 2.02 0.08 -1.86 117.35 120.08 3hom s TYR 55 Ca 0.04 -1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 55.44 3hom s TYR 55 Cb -0.01 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3hom s TYR 55 CO -0.03 -0.55 0.22 0.42 -1.57 0.00 0.00 175.55 174.05 3hom s ILE 56 N 0.94 4.90 -0.05 2.71 1.01 -1.26 -2.02 121.20 127.43 3hom s ILE 56 Ca -0.03 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.10 3hom s ILE 56 Cb -0.15 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3hom s ILE 56 CO -0.03 -0.14 -0.20 -0.75 0.00 0.00 0.00 174.94 173.83 3hom s LYS 57 N 1.64 2.51 -0.19 2.79 2.20 -0.16 -1.17 119.74 127.35 3hom s LYS 57 Ca 0.04 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 3hom s LYS 57 Cb -0.18 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3hom s LYS 57 CO 0.08 0.51 1.21 0.45 -0.36 0.00 0.00 175.35 177.24 3hom s SER 58 N -0.46 6.96 0.24 1.43 0.15 -0.03 0.42 113.70 122.42 3hom s SER 58 Ca 0.05 1.57 -0.07 0.00 0.70 0.00 0.00 55.95 58.21 3hom s SER 58 Cb -0.12 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.89 3hom s SER 58 CO 0.01 -0.77 1.91 0.71 1.20 0.00 0.00 173.24 176.31 3hom h THR 59 N 5.52 1.25 0.76 6.45 1.35 -1.73 0.46 112.91 126.97 3hom h THR 59 Ca -0.25 -0.49 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 3hom h THR 59 Cb 1.09 -0.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3hom h THR 59 CO 0.98 0.25 -0.36 -0.08 -0.25 0.00 0.00 175.52 176.06 3hom h GLU 60 N 1.31 -0.98 0.00 4.72 4.57 -1.81 -3.35 114.58 119.03 3hom h GLU 60 Ca 0.35 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 3hom h GLU 60 Cb -0.12 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3hom h GLU 60 CO -0.07 -0.64 -1.38 0.25 -1.18 0.00 0.00 179.01 176.00 3hom n THR 61 N -5.49 0.11 -1.06 0.32 -2.24 -1.22 -4.98 114.28 99.71 3hom n THR 61 Ca -0.14 -0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 61.31 3hom n THR 61 Cb 0.41 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 3hom n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hom n GLY 62 N 1.34 0.55 3.79 3.38 0.00 0.16 -5.02 105.19 109.39 3hom n GLY 62 Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 3hom n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hom s GLN 63 N -1.70 4.34 0.18 1.61 -0.21 -1.25 -4.74 119.66 117.89 3hom s GLN 63 Ca 0.00 0.88 -0.10 0.00 0.02 0.00 0.00 55.36 56.16 3hom s GLN 63 Cb 0.00 -3.27 -0.07 0.00 1.00 0.00 0.00 33.01 30.67 3hom s GLN 63 CO 0.00 0.55 0.50 0.71 -2.12 0.00 0.00 175.29 174.93 3hom s TYR 64 N -0.90 3.49 -0.13 0.91 1.51 0.20 -0.85 117.35 121.58 3hom s TYR 64 Ca 0.32 0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 56.97 3hom s TYR 64 Cb -0.20 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.40 3hom s TYR 64 CO 0.21 0.37 0.79 -1.17 -1.11 0.00 0.00 175.55 174.64 3hom s LEU 65 N -2.49 4.23 0.10 -1.29 2.96 -0.32 -0.98 118.68 120.89 3hom s LEU 65 Ca 0.42 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.55 3hom s LEU 65 Cb -0.12 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 3hom s LEU 65 CO 0.21 -0.30 -0.08 0.00 -1.32 0.00 0.00 176.35 174.86 3hom s MET 67 N -3.60 2.09 0.89 0.00 1.75 -0.69 -0.06 119.30 119.69 3hom s MET 67 Ca 0.11 -0.50 -0.15 0.00 -1.25 0.00 0.00 55.69 53.90 3hom s MET 67 Cb 0.03 -1.85 0.21 0.00 2.84 0.00 0.00 34.83 36.06 3hom s MET 67 CO -0.03 -0.12 1.06 -0.40 -0.65 0.00 0.00 175.02 174.88 3hom n ASP 68 N 4.40 -0.53 0.00 1.11 5.68 0.15 -4.81 116.55 122.54 3hom n ASP 68 Ca -0.18 -1.30 0.08 0.00 -0.50 0.00 0.00 54.79 52.89 3hom n ASP 68 Cb 0.51 -0.85 0.44 0.00 -1.14 0.00 0.00 41.12 40.08 3hom n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hom n THR 69 N -3.84 0.19 -0.06 2.12 -2.24 -1.26 -1.38 114.28 107.82 3hom n THR 69 Ca 0.14 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 62.02 3hom n THR 69 Cb 0.49 -0.80 0.13 0.00 -2.10 0.00 0.00 70.33 68.05 3hom n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hom n ASP 70 N -1.10 2.73 0.00 3.42 8.00 -1.26 -4.97 116.55 123.37 3hom n ASP 70 Ca 0.10 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.70 3hom n ASP 70 Cb 0.08 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3hom n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hom n GLY 71 N 0.53 0.65 3.80 0.44 0.00 -0.48 -4.53 105.19 105.59 3hom n GLY 71 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3hom n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hom s LEU 72 N 0.00 4.55 0.26 0.99 2.01 -1.26 -0.20 118.68 125.04 3hom s LEU 72 Ca 0.00 1.44 -0.11 0.00 0.01 0.00 0.00 54.13 55.47 3hom s LEU 72 Cb 0.00 -3.11 -0.08 0.00 0.01 0.00 0.00 46.19 43.02 3hom s LEU 72 CO 0.00 0.24 0.61 -0.76 1.01 0.00 0.00 176.35 177.45 3hom s LEU 73 N -1.17 4.12 0.11 1.79 1.43 -1.26 0.35 118.68 124.05 3hom s LEU 73 Ca 0.33 1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 54.20 3hom s LEU 73 Cb -0.21 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.28 3hom s LEU 73 CO 0.22 -0.13 0.73 -0.72 0.23 0.00 0.00 176.35 176.68 3hom s TYR 74 N -1.89 -0.44 -0.15 0.29 1.13 0.91 -4.56 117.35 112.65 3hom s TYR 74 Ca 0.49 0.24 -0.07 0.00 -1.41 0.00 0.00 57.07 56.32 3hom s TYR 74 Cb -0.11 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3hom s TYR 74 CO 0.20 -0.76 0.10 0.20 -2.51 0.00 0.00 175.55 172.79 3hom s GLY 75 N -2.67 2.03 0.05 5.49 0.00 0.36 -0.49 107.32 112.09 3hom s GLY 75 Ca 0.03 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.10 3hom s GLY 75 CO -0.10 -0.17 -0.14 -0.45 0.00 0.00 0.00 173.10 172.24 3hom s SER 76 N -0.33 1.65 0.18 1.64 0.15 -0.16 -4.71 113.70 112.12 3hom s SER 76 Ca 0.10 -0.50 0.25 0.00 0.70 0.00 0.00 55.95 56.51 3hom s SER 76 Cb -0.12 -0.09 0.90 0.00 -1.71 0.00 0.00 66.02 65.01 3hom s SER 76 CO 0.01 0.00 1.77 1.67 1.20 0.00 0.00 173.24 177.89 3hom n GLN 77 N 1.73 0.19 -4.91 5.44 -0.06 -1.26 0.58 117.38 119.09 3hom n GLN 77 Ca -0.19 0.23 -0.32 0.00 -2.00 0.00 0.00 57.00 54.72 3hom n GLN 77 Cb 0.55 -1.76 -0.16 0.00 -4.06 0.00 0.00 30.24 24.80 3hom n GLN 77 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 3hom s THR 78 N -3.13 2.17 -0.32 1.69 -4.23 -1.26 -4.82 115.64 105.75 3hom s THR 78 Ca 0.09 -0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 59.36 3hom s THR 78 Cb 0.12 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 72.12 3hom s THR 78 CO 0.52 0.55 1.05 -2.16 -0.54 0.00 0.00 174.62 174.04 3hom s PRO 79 N 0.58 4.06 0.00 3.99 0.04 -1.26 -4.89 135.00 137.51 3hom s PRO 79 Ca -0.12 1.04 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3hom s PRO 79 Cb -0.17 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.64 3hom s PRO 79 CO 0.04 -0.88 0.00 0.27 0.04 0.00 0.00 177.00 176.46 3hom n ASN 80 N 6.81 1.46 0.32 6.66 0.23 -1.26 -4.99 115.26 124.49 3hom n ASN 80 Ca 0.11 -0.99 0.20 0.00 -0.53 0.00 0.00 54.58 53.37 3hom n ASN 80 Cb 0.47 0.00 1.10 0.00 -2.08 0.00 0.00 39.78 39.27 3hom n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hom h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -0.84 114.58 112.02 3hom h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hom h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hom h GLU 81 CO 0.00 0.00 -0.17 0.39 0.07 0.00 0.00 179.01 179.30 3hom n GLU 82 N -3.21 0.34 -0.44 1.06 1.02 -1.26 -3.89 120.64 114.26 3hom n GLU 82 Ca -0.03 -0.12 0.08 0.00 -0.02 0.00 0.00 57.16 57.08 3hom n GLU 82 Cb 0.13 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.33 3hom n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hom s LEU 84 N -1.70 3.74 0.14 0.00 1.43 -1.25 -4.49 118.68 116.56 3hom s LEU 84 Ca 0.41 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3hom s LEU 84 Cb 0.26 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3hom s LEU 84 CO 0.20 0.16 -0.19 -0.36 0.23 0.00 0.00 176.35 176.39 3hom s PHE 85 N 0.48 1.78 -0.33 0.29 0.40 -0.78 -1.10 117.98 118.72 3hom s PHE 85 Ca 0.03 -0.46 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 3hom s PHE 85 Cb -0.13 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 3hom s PHE 85 CO 0.01 0.28 0.49 -0.51 0.70 0.00 0.00 175.22 176.19 3hom s LEU 86 N -2.43 4.30 -0.23 -0.37 1.43 0.14 -0.65 118.68 120.86 3hom s LEU 86 Ca 0.13 0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 3hom s LEU 86 Cb -0.07 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3hom s LEU 86 CO 0.06 -0.42 0.69 -0.70 0.23 0.00 0.00 176.35 176.20 3hom s GLU 87 N 2.33 4.17 0.06 1.70 2.12 -0.01 -2.01 118.70 127.05 3hom s GLU 87 Ca 0.18 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.24 3hom s GLU 87 Cb -0.16 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 3hom s GLU 87 CO 0.12 -0.39 -0.12 1.03 -0.54 0.00 0.00 175.26 175.37 3hom s ARG 88 N 2.40 0.71 0.43 4.30 1.81 -0.54 -4.69 118.95 123.36 3hom s ARG 88 Ca 0.30 -0.87 -0.22 0.00 -1.72 0.00 0.00 55.73 53.22 3hom s ARG 88 Cb -0.16 -0.62 -0.09 0.00 -0.45 0.00 0.00 34.95 33.63 3hom s ARG 88 CO 0.09 0.13 1.02 -1.17 -0.68 0.00 0.00 175.30 174.69 3hom s LEU 89 N -1.64 4.02 -0.03 2.53 2.96 0.58 -0.83 118.68 126.26 3hom s LEU 89 Ca -0.05 1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 55.76 3hom s LEU 89 Cb -0.10 -4.37 0.02 0.00 0.50 0.00 0.00 46.19 42.24 3hom s LEU 89 CO 0.01 -0.54 0.08 -0.70 -1.32 0.00 0.00 176.35 173.89 3hom s GLU 90 N -2.84 0.06 -1.46 1.98 2.56 0.24 -4.82 118.70 114.43 3hom s GLU 90 Ca 0.61 0.18 -0.09 0.00 0.00 0.00 0.00 54.97 55.67 3hom s GLU 90 Cb -0.17 -0.07 0.04 0.00 2.00 0.00 0.00 34.13 35.93 3hom s GLU 90 CO 0.22 -0.08 0.80 0.39 -0.56 0.00 0.00 175.26 176.03 3hom n GLU 91 N 3.53 -5.32 -2.03 4.30 1.02 -1.26 -1.08 120.64 119.81 3hom n GLU 91 Ca -0.19 0.71 -0.14 0.00 -0.02 0.00 0.00 57.16 57.52 3hom n GLU 91 Cb 0.56 -5.59 -0.03 0.00 -0.02 0.00 0.00 31.44 26.36 3hom n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hom n ASN 92 N -2.65 -4.16 0.08 1.62 4.13 -1.26 -4.55 115.26 108.47 3hom n ASN 92 Ca -0.02 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.46 3hom n ASN 92 Cb 0.57 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 35.17 3hom n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3hom n HIS 93 N -2.91 -3.09 -1.60 3.10 -0.00 -0.68 -5.16 115.22 104.89 3hom n HIS 93 Ca -0.16 0.56 -0.29 0.00 -0.00 0.00 0.00 57.72 57.82 3hom n HIS 93 Cb 0.57 1.68 0.16 0.00 -0.00 0.00 0.00 29.99 32.40 3hom n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3hom s TYR 94 N -2.00 1.99 -0.09 1.57 2.02 -0.24 -4.78 117.35 115.82 3hom s TYR 94 Ca 0.00 0.65 0.04 0.00 -0.37 0.00 0.00 57.07 57.39 3hom s TYR 94 Cb 0.00 -3.59 -0.01 0.00 -0.40 0.00 0.00 41.96 37.96 3hom s TYR 94 CO 0.00 -2.63 -0.22 -0.80 -1.57 0.00 0.00 175.55 170.32 3hom s ASN 95 N -4.28 3.26 0.13 2.29 -0.87 0.11 -0.59 114.94 114.99 3hom s ASN 95 Ca 0.67 -0.49 0.09 0.00 -1.57 0.00 0.00 52.86 51.56 3hom s ASN 95 Cb -0.11 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.25 39.86 3hom s ASN 95 CO 0.53 0.20 -0.21 0.42 -2.57 0.00 0.00 177.10 175.47 3hom s THR 96 N 0.13 1.88 -0.23 1.60 -4.23 -0.01 -1.38 115.64 113.39 3hom s THR 96 Ca -0.11 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 3hom s THR 96 Cb -0.16 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 71.98 3hom s THR 96 CO 0.06 -0.12 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.65 3hom s TYR 97 N -1.47 2.41 -0.15 3.99 2.02 -1.26 -1.47 117.35 121.42 3hom s TYR 97 Ca 0.12 -1.74 -0.07 0.00 -0.37 0.00 0.00 57.07 55.01 3hom s TYR 97 Cb -0.08 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3hom s TYR 97 CO 0.06 -0.77 0.09 0.42 -1.57 0.00 0.00 175.55 173.78 3hom s ILE 98 N 1.39 5.10 0.04 2.71 1.01 -0.85 -1.19 121.20 129.40 3hom s ILE 98 Ca -0.05 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 3hom s ILE 98 Cb -0.18 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 3hom s ILE 98 CO -0.06 0.53 1.89 -0.55 0.00 0.00 0.00 174.94 176.74 3hom s SER 99 N -0.28 6.49 0.10 3.58 0.15 -0.67 0.26 113.70 123.32 3hom s SER 99 Ca 0.10 2.61 -0.21 0.00 0.70 0.00 0.00 55.95 59.14 3hom s SER 99 Cb -0.12 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.55 3hom s SER 99 CO 0.01 -1.02 1.72 0.50 1.20 0.00 0.00 173.24 175.65 3hom h LYS 100 N 10.07 0.16 -0.91 5.44 3.64 -1.44 0.86 116.57 134.39 3hom h LYS 100 Ca -0.47 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3hom h LYS 100 Cb 1.22 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 3hom h LYS 100 CO 0.94 0.16 0.57 -0.22 -2.27 0.00 0.00 179.45 178.63 3hom h LYS 101 N 0.12 1.02 -0.73 1.90 3.64 -1.77 -2.51 116.57 118.25 3hom h LYS 101 Ca 0.04 -0.06 -0.48 0.00 -1.27 0.00 0.00 60.65 58.88 3hom h LYS 101 Cb 0.04 -0.23 -0.29 0.00 -0.41 0.00 0.00 32.23 31.34 3hom h LYS 101 CO -0.01 0.68 0.02 0.72 -2.27 0.00 0.00 179.45 178.58 3hom n HIS 102 N -4.57 2.44 -0.30 1.91 8.25 -1.12 -4.72 115.22 117.10 3hom n HIS 102 Ca 0.13 -2.27 -0.05 0.00 -0.26 0.00 0.00 57.72 55.27 3hom n HIS 102 Cb 0.17 -0.77 0.08 0.00 1.12 0.00 0.00 29.99 30.58 3hom n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hom h ALA 103 N 1.70 1.09 0.00 -1.41 0.00 -0.35 -2.04 119.26 118.24 3hom h ALA 103 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hom h ALA 103 Cb 1.45 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hom h ALA 103 CO 0.93 0.67 0.00 1.05 0.00 0.00 0.00 179.25 181.90 3hom h GLU 104 N 1.20 0.00 0.00 0.00 9.09 -1.84 -1.18 114.58 121.85 3hom h GLU 104 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3hom h GLU 104 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3hom h GLU 104 CO -0.03 0.00 -0.38 1.63 0.05 0.00 0.00 179.01 180.28 3hom n LYS 105 N -3.08 0.14 -3.36 1.06 5.02 -0.78 -4.95 118.16 112.20 3hom n LYS 105 Ca -0.01 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 3hom n LYS 105 Cb 0.23 -1.61 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 3hom n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hom n ASN 106 N -1.83 -3.40 -4.59 4.39 4.13 -0.45 -4.98 115.26 108.53 3hom n ASN 106 Ca 0.05 -0.54 -0.40 0.00 1.68 0.00 0.00 54.58 55.37 3hom n ASN 106 Cb 0.39 -4.67 -0.08 0.00 -1.54 0.00 0.00 39.78 33.88 3hom n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3hom s TRP 107 N -3.31 3.23 0.29 3.10 0.51 -1.21 -4.49 118.94 117.06 3hom s TRP 107 Ca 0.18 0.43 0.07 0.00 -2.12 0.00 0.00 56.10 54.66 3hom s TRP 107 Cb -0.08 -2.76 -0.03 0.00 -0.81 0.00 0.00 33.47 29.79 3hom s TRP 107 CO 0.66 -0.36 0.28 -0.06 -0.51 0.00 0.00 176.95 176.96 3hom s PHE 108 N 2.29 3.05 -0.20 -1.98 0.40 -1.26 -1.67 117.98 118.61 3hom s PHE 108 Ca 0.19 -0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.13 3hom s PHE 108 Cb -0.16 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 3hom s PHE 108 CO 0.11 0.32 0.58 0.08 0.70 0.00 0.00 175.22 177.00 3hom s VAL 109 N -2.20 5.06 0.09 -0.44 1.01 -0.33 -4.49 120.40 119.10 3hom s VAL 109 Ca 0.38 1.07 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 3hom s VAL 109 Cb -0.07 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.43 3hom s VAL 109 CO 0.27 0.13 0.31 -0.83 0.00 0.00 0.00 175.10 174.98 3hom s GLY 110 N 1.21 -0.13 -0.08 4.51 0.00 -1.26 -4.46 107.32 107.12 3hom s GLY 110 Ca 0.26 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.84 3hom s GLY 110 CO 0.10 -0.40 -0.15 1.08 0.00 0.00 0.00 173.10 173.73 3hom s LEU 111 N -2.55 1.74 1.05 0.66 1.43 -0.78 0.08 118.68 120.31 3hom s LEU 111 Ca 0.01 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3hom s LEU 111 Cb 0.02 -0.97 0.22 0.00 0.03 0.00 0.00 46.19 45.48 3hom s LEU 111 CO -0.09 0.06 1.09 -0.54 0.23 0.00 0.00 176.35 177.10 3hom s LYS 112 N 0.64 -0.01 0.48 1.70 1.02 0.29 -4.64 119.74 119.23 3hom s LYS 112 Ca -0.15 0.45 0.23 0.00 0.02 0.00 0.00 55.97 56.52 3hom s LYS 112 Cb -0.16 -1.69 1.23 0.00 -0.52 0.00 0.00 37.83 36.68 3hom s LYS 112 CO 0.04 -3.01 2.00 0.87 -0.92 0.00 0.00 175.35 174.33 3hom h LYS 113 N -2.09 0.00 -0.00 1.68 1.57 -1.86 -2.40 116.57 113.47 3hom h LYS 113 Ca -0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3hom h LYS 113 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3hom h LYS 113 CO 0.55 0.18 -0.05 0.27 -0.57 0.00 0.00 179.45 179.82 3hom n ASN 114 N -3.78 0.27 0.00 0.86 6.94 -1.26 -4.66 115.26 113.63 3hom n ASN 114 Ca -0.02 -0.52 0.00 0.00 -0.02 0.00 0.00 54.58 54.02 3hom n ASN 114 Cb 0.28 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3hom n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hom n GLY 115 N 1.23 2.43 3.77 4.83 0.00 -0.90 -5.03 105.19 111.52 3hom n GLY 115 Ca 0.16 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3hom n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hom s SER 116 N 0.43 6.56 0.70 1.61 1.04 -1.26 -0.68 113.70 122.10 3hom s SER 116 Ca 0.00 2.59 -0.12 0.00 0.48 0.00 0.00 55.95 58.90 3hom s SER 116 Cb 0.00 -2.64 0.02 0.00 0.10 0.00 0.00 66.02 63.50 3hom s SER 116 CO 0.00 -0.67 1.08 0.00 0.98 0.00 0.00 173.24 174.63 3hom s LYS 118 N -4.74 3.53 0.04 0.00 1.02 0.11 -4.69 119.74 115.01 3hom s LYS 118 Ca 0.61 -0.17 -0.15 0.00 0.02 0.00 0.00 55.97 56.28 3hom s LYS 118 Cb -0.16 -2.62 -0.06 0.00 -0.52 0.00 0.00 37.83 34.47 3hom s LYS 118 CO 0.51 0.12 0.47 1.03 -0.92 0.00 0.00 175.35 176.56 3hom s ARG 119 N -4.15 3.99 0.17 1.68 0.52 -1.26 -4.62 118.95 115.27 3hom s ARG 119 Ca 0.42 0.49 -0.28 0.00 -0.52 0.00 0.00 55.73 55.84 3hom s ARG 119 Cb -0.10 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 3hom s ARG 119 CO 0.36 0.65 1.55 0.78 0.02 0.00 0.00 175.30 178.65 3hom h GLY 120 N 4.46 -0.66 0.28 -3.53 0.00 -0.81 0.14 103.07 102.95 3hom h GLY 120 Ca -0.51 0.72 0.23 0.00 0.00 0.00 0.00 47.33 47.77 3hom h GLY 120 CO 0.63 -0.03 0.64 -2.55 0.00 0.00 0.00 176.54 175.22 3hom h PRO 121 N -0.07 0.00 -0.63 4.80 0.11 -1.85 -0.67 132.00 133.69 3hom h PRO 121 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3hom h PRO 121 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3hom h PRO 121 CO -0.89 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.44 3hom n ARG 122 N -4.05 3.26 -4.42 1.05 5.12 0.03 -4.91 116.66 112.74 3hom n ARG 122 Ca 0.16 -2.22 -0.25 0.00 -1.93 0.00 0.00 57.85 53.60 3hom n ARG 122 Cb 0.92 -1.81 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 3hom n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hom s THR 123 N -1.88 2.59 -0.06 0.55 -4.23 -0.26 -4.86 115.64 107.49 3hom s THR 123 Ca 0.40 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.45 3hom s THR 123 Cb 0.26 -2.31 0.12 0.00 1.34 0.00 0.00 72.50 71.91 3hom s THR 123 CO 0.18 -0.26 1.11 -1.38 -0.54 0.00 0.00 174.62 173.73 3hom s HIS 124 N -2.08 -0.16 0.55 3.99 -3.43 -1.26 -4.76 115.29 108.14 3hom s HIS 124 Ca 0.26 0.05 -0.20 0.00 -0.80 0.00 0.00 55.06 54.36 3hom s HIS 124 Cb -0.07 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.56 3hom s HIS 124 CO 0.13 -0.38 1.00 0.66 -2.00 0.00 0.00 174.74 174.15 3hom n TYR 125 N -0.26 1.02 0.00 0.38 4.01 -1.26 -2.77 117.16 118.28 3hom n TYR 125 Ca -0.05 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 3hom n TYR 125 Cb 0.60 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 3hom n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hom n GLY 126 N 1.22 2.99 3.77 2.72 0.00 -1.26 -5.06 105.19 109.56 3hom n GLY 126 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3hom n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hom s GLN 127 N -0.02 3.80 0.17 1.61 -0.21 -1.11 -4.93 119.66 118.97 3hom s GLN 127 Ca 0.00 1.84 0.26 0.00 0.02 0.00 0.00 55.36 57.48 3hom s GLN 127 Cb 0.00 -2.48 0.79 0.00 1.00 0.00 0.00 33.01 32.32 3hom s GLN 127 CO 0.00 -0.54 1.72 1.63 -2.12 0.00 0.00 175.29 175.98 3hom n LYS 128 N -0.36 0.23 0.23 2.91 4.76 -1.26 -3.61 118.16 121.06 3hom n LYS 128 Ca 0.07 0.17 0.11 0.00 -2.87 0.00 0.00 58.31 55.78 3hom n LYS 128 Cb 0.47 -1.75 0.48 0.00 -1.84 0.00 0.00 35.03 32.40 3hom n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hom h ALA 129 N 2.59 1.01 -0.01 7.82 0.00 -1.92 -3.04 119.26 125.72 3hom h ALA 129 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hom h ALA 129 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hom h ALA 129 CO 0.00 0.23 -0.42 0.44 0.00 0.00 0.00 179.25 179.50 3hom n ILE 130 N -3.33 0.00 -2.88 0.00 -5.35 -1.24 -1.86 119.36 104.70 3hom n ILE 130 Ca 0.00 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 3hom n ILE 130 Cb 0.42 0.62 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 3hom n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hom s LEU 131 N -2.63 4.08 0.24 7.28 1.43 -1.15 -4.44 118.68 123.49 3hom s LEU 131 Ca 0.19 1.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.45 3hom s LEU 131 Cb 0.18 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 3hom s LEU 131 CO 0.60 -0.52 -0.18 -0.36 0.23 0.00 0.00 176.35 176.12 3hom s PHE 132 N 2.84 2.06 -0.06 0.29 0.40 -0.48 -2.39 117.98 120.64 3hom s PHE 132 Ca 0.36 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3hom s PHE 132 Cb -0.15 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.48 3hom s PHE 132 CO 0.07 0.56 0.01 -1.17 0.70 0.00 0.00 175.22 175.39 3hom s LEU 133 N -3.37 0.68 -0.36 -0.37 2.96 0.13 -0.72 118.68 117.63 3hom s LEU 133 Ca 0.26 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 3hom s LEU 133 Cb -0.04 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.29 3hom s LEU 133 CO 0.11 -0.18 1.30 -2.16 -1.32 0.00 0.00 176.35 174.11 3hom s PRO 134 N 1.77 3.78 0.13 0.98 0.04 -1.26 -0.70 135.00 139.73 3hom s PRO 134 Ca 0.01 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.16 3hom s PRO 134 Cb -0.13 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 3hom s PRO 134 CO -0.04 -1.29 -0.01 -0.51 0.04 0.00 0.00 177.00 175.19 3hom s LEU 135 N 4.70 3.37 0.59 -3.56 1.43 0.65 -4.91 118.68 120.95 3hom s LEU 135 Ca 0.56 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 3hom s LEU 135 Cb -0.14 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3hom s LEU 135 CO 0.27 0.14 1.20 -2.16 0.23 0.00 0.00 176.35 176.03 3hom s PRO 136 N -2.56 3.03 0.00 1.29 0.04 -1.26 -0.09 135.00 135.44 3hom s PRO 136 Ca 0.26 1.80 0.21 0.00 0.04 0.00 0.00 61.00 63.31 3hom s PRO 136 Cb -0.11 -1.94 1.26 0.00 0.04 0.00 0.00 34.50 33.76 3hom s PRO 136 CO 0.18 -1.16 1.64 1.33 0.04 0.00 0.00 177.00 179.04