#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6l s ILE 1 N 0.00 2.81 0.14 3.17 1.01 -1.26 -5.08 121.20 121.99 3i6l s ILE 1 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.99 3i6l s ILE 1 Cb 0.00 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3i6l s ILE 1 CO 0.00 -0.34 -0.17 -1.10 0.00 0.00 0.00 174.94 173.33 3i6l s GLN 2 N -4.89 1.18 -0.02 2.79 -0.21 -1.26 -4.84 119.66 112.40 3i6l s GLN 2 Ca 0.63 -1.33 0.04 0.00 0.02 0.00 0.00 55.36 54.72 3i6l s GLN 2 Cb -0.18 -1.19 -0.01 0.00 1.00 0.00 0.00 33.01 32.63 3i6l s GLN 2 CO 0.57 0.24 -0.12 1.03 -2.12 0.00 0.00 175.29 174.89 3i6l s ARG 3 N -2.67 1.11 0.14 2.91 0.52 0.37 -4.90 118.95 116.43 3i6l s ARG 3 Ca 0.13 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 3i6l s ARG 3 Cb -0.06 -1.04 -0.07 0.00 0.52 0.00 0.00 34.95 34.30 3i6l s ARG 3 CO 0.05 0.23 1.04 0.99 0.02 0.00 0.00 175.30 177.63 3i6l s THR 4 N -0.13 4.18 0.38 0.02 2.01 -1.26 -1.99 115.64 118.85 3i6l s THR 4 Ca 0.02 1.83 -0.27 0.00 0.31 0.00 0.00 61.69 63.58 3i6l s THR 4 Cb -0.07 -4.17 -0.11 0.00 0.01 0.00 0.00 72.50 68.16 3i6l s THR 4 CO 0.00 0.29 1.34 -0.81 -0.69 0.00 0.00 174.62 174.76 3i6l n PRO 5 N 2.63 2.21 -3.48 4.92 -0.04 -1.26 -4.39 135.00 135.59 3i6l n PRO 5 Ca 0.03 0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 63.90 3i6l n PRO 5 Cb 0.48 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 3i6l n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i6l s LYS 6 N -2.08 3.90 -0.05 0.54 3.01 0.48 -4.93 119.74 120.60 3i6l s LYS 6 Ca 0.57 0.37 0.02 0.00 -1.01 0.00 0.00 55.97 55.92 3i6l s LYS 6 Cb -0.52 -3.07 0.01 0.00 -1.01 0.00 0.00 37.83 33.25 3i6l s LYS 6 CO 0.61 0.59 -0.10 0.42 0.51 0.00 0.00 175.35 177.37 3i6l s ILE 7 N -1.29 0.98 -0.08 2.17 1.01 -1.26 -1.46 121.20 121.27 3i6l s ILE 7 Ca 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 3i6l s ILE 7 Cb -0.15 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.44 3i6l s ILE 7 CO 0.17 0.32 0.01 -1.10 0.00 0.00 0.00 174.94 174.33 3i6l s GLN 8 N 0.62 0.57 -0.18 2.79 -0.21 -0.17 -4.98 119.66 118.10 3i6l s GLN 8 Ca -0.12 0.08 -0.07 0.00 0.02 0.00 0.00 55.36 55.27 3i6l s GLN 8 Cb -0.14 -1.05 -0.04 0.00 1.00 0.00 0.00 33.01 32.78 3i6l s GLN 8 CO 0.03 -0.34 0.04 0.54 -2.12 0.00 0.00 175.29 173.44 3i6l s VAL 9 N 1.98 4.60 0.19 1.09 0.11 -1.26 -0.42 120.40 126.69 3i6l s VAL 9 Ca 0.05 -0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 58.77 3i6l s VAL 9 Cb -0.13 -3.07 0.05 0.00 -1.53 0.00 0.00 36.38 31.71 3i6l s VAL 9 CO -0.05 0.46 0.69 -0.72 -3.33 0.00 0.00 175.10 172.14 3i6l s TYR 10 N 0.41 -0.38 0.08 1.54 1.13 -0.63 -4.60 117.35 114.90 3i6l s TYR 10 Ca 0.02 0.08 -0.02 0.00 -1.41 0.00 0.00 57.07 55.74 3i6l s TYR 10 Cb -0.13 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 3i6l s TYR 10 CO 0.01 -0.96 0.26 -1.54 -2.51 0.00 0.00 175.55 170.81 3i6l s SER 11 N -2.80 6.41 0.11 -0.18 1.04 -1.26 0.34 113.70 117.36 3i6l s SER 11 Ca 0.05 0.39 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 3i6l s SER 11 Cb -0.03 -2.01 -0.11 0.00 0.10 0.00 0.00 66.02 63.97 3i6l s SER 11 CO -0.05 0.15 1.61 -0.09 0.98 0.00 0.00 173.24 175.84 3i6l h ARG 12 N 3.13 -0.63 -6.22 4.02 2.43 -0.98 -3.44 114.38 112.69 3i6l h ARG 12 Ca -0.46 0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.18 3i6l h ARG 12 Cb 1.17 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.79 3i6l h ARG 12 CO 0.74 -0.42 -0.58 -1.01 -1.51 0.00 0.00 179.97 177.19 3i6l s HIS 13 N -5.98 3.09 0.26 2.20 3.76 -1.26 -5.05 115.29 112.32 3i6l s HIS 13 Ca -0.16 -0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.40 3i6l s HIS 13 Cb 0.07 -1.48 -0.14 0.00 1.11 0.00 0.00 32.58 32.14 3i6l s HIS 13 CO 0.64 0.52 1.24 -2.30 -0.85 0.00 0.00 174.74 173.98 3i6l n PRO 14 N -0.38 1.73 -2.02 8.40 -0.02 -1.26 -4.83 135.00 136.62 3i6l n PRO 14 Ca -0.08 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 3i6l n PRO 14 Cb 0.55 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3i6l n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i6l s ALA 15 N -0.58 3.62 -0.19 3.55 0.00 -1.26 -5.02 121.76 121.88 3i6l s ALA 15 Ca 0.63 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.88 3i6l s ALA 15 Cb -0.68 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 18.97 3i6l s ALA 15 CO 0.56 -0.74 0.19 -2.00 0.00 0.00 0.00 175.76 173.77 3i6l s GLU 16 N -0.37 0.16 0.13 0.00 2.12 -1.26 -5.11 118.70 114.36 3i6l s GLU 16 Ca 0.59 0.15 -0.35 0.00 0.36 0.00 0.00 54.97 55.72 3i6l s GLU 16 Cb -0.42 -1.32 -0.15 0.00 0.26 0.00 0.00 34.13 32.50 3i6l s GLU 16 CO 0.43 -0.65 1.45 0.09 -0.54 0.00 0.00 175.26 176.04 3i6l n ASN 17 N 5.31 2.36 0.00 -1.70 3.02 -1.26 -0.06 115.26 122.93 3i6l n ASN 17 Ca -0.06 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 3i6l n ASN 17 Cb 0.49 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 3i6l n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6l n GLY 18 N 2.92 2.84 3.65 7.41 0.00 -0.67 -5.01 105.19 116.34 3i6l n GLY 18 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3i6l n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6l s LYS 19 N -0.15 4.17 0.25 1.61 -0.14 0.91 -4.99 119.74 121.41 3i6l s LYS 19 Ca 0.00 0.39 -0.30 0.00 -1.36 0.00 0.00 55.97 54.71 3i6l s LYS 19 Cb 0.00 -3.58 -0.09 0.00 -1.68 0.00 0.00 37.83 32.48 3i6l s LYS 19 CO 0.00 -0.18 1.27 -1.54 -0.76 0.00 0.00 175.35 174.13 3i6l s SER 20 N 1.22 6.94 0.12 2.83 1.04 -1.26 -3.83 113.70 120.75 3i6l s SER 20 Ca 0.23 2.46 0.02 0.00 0.48 0.00 0.00 55.95 59.14 3i6l s SER 20 Cb -0.15 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 3i6l s SER 20 CO 0.09 -0.45 0.12 -3.20 0.98 0.00 0.00 173.24 170.78 3i6l n ASN 21 N 1.81 -0.32 -4.20 7.02 2.85 0.75 -4.94 115.26 118.23 3i6l n ASN 21 Ca 0.03 -1.72 -0.32 0.00 -0.11 0.00 0.00 54.58 52.46 3i6l n ASN 21 Cb 0.43 0.68 -0.17 0.00 1.24 0.00 0.00 39.78 41.96 3i6l n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3i6l s PHE 22 N -3.05 2.50 -0.13 1.20 0.40 -1.26 -0.72 117.98 116.92 3i6l s PHE 22 Ca 0.13 -1.06 -0.17 0.00 -0.60 0.00 0.00 56.93 55.23 3i6l s PHE 22 Cb 0.00 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 3i6l s PHE 22 CO 0.09 -0.44 0.41 -1.17 0.70 0.00 0.00 175.22 174.81 3i6l s LEU 23 N 0.43 4.27 0.06 -0.37 2.96 0.34 -0.24 118.68 126.14 3i6l s LEU 23 Ca -0.17 0.71 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 3i6l s LEU 23 Cb -0.17 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 3i6l s LEU 23 CO 0.07 0.04 -0.20 0.20 -1.32 0.00 0.00 176.35 175.14 3i6l s ASN 24 N 0.53 3.68 -0.16 3.68 0.01 0.15 -1.16 114.94 121.67 3i6l s ASN 24 Ca 0.22 -0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3i6l s ASN 24 Cb -0.14 -0.52 0.05 0.00 0.41 0.00 0.00 41.25 41.04 3i6l s ASN 24 CO 0.08 0.24 -0.01 0.00 -1.51 0.00 0.00 177.10 175.90 3i6l s TYR 26 N 1.77 3.16 -0.12 0.00 5.04 0.45 -0.78 117.35 126.86 3i6l s TYR 26 Ca 0.01 -0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.45 3i6l s TYR 26 Cb -0.15 -2.32 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 3i6l s TYR 26 CO -0.07 -0.28 -0.12 0.14 -1.34 0.00 0.00 175.55 173.88 3i6l s VAL 27 N 1.68 3.17 0.17 3.14 -7.23 -0.68 -1.00 120.40 119.66 3i6l s VAL 27 Ca 0.06 -0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 59.48 3i6l s VAL 27 Cb -0.16 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.46 3i6l s VAL 27 CO 0.08 0.53 0.38 -0.94 -0.31 0.00 0.00 175.10 174.83 3i6l s SER 28 N 0.21 -0.09 -1.10 4.85 1.04 -0.53 -1.13 113.70 116.95 3i6l s SER 28 Ca -0.07 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3i6l s SER 28 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3i6l s SER 28 CO 0.05 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3i6l n GLY 29 N -0.25 0.74 3.66 7.32 0.00 -0.88 -0.39 105.19 115.39 3i6l n GLY 29 Ca -0.09 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3i6l n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i6l s PHE 30 N -2.47 2.94 -0.14 1.61 -0.12 -1.19 -4.32 117.98 114.29 3i6l s PHE 30 Ca 0.00 -0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 56.72 3i6l s PHE 30 Cb 0.00 -1.52 0.04 0.00 -0.63 0.00 0.00 43.02 40.91 3i6l s PHE 30 CO 0.00 0.46 0.36 -1.58 -0.05 0.00 0.00 175.22 174.41 3i6l s HIS 31 N -1.27 -0.44 1.08 3.49 2.46 -0.84 -1.32 115.29 118.45 3i6l s HIS 31 Ca 0.24 1.02 -0.17 0.00 0.47 0.00 0.00 55.06 56.62 3i6l s HIS 31 Cb -0.12 0.16 0.24 0.00 -0.13 0.00 0.00 32.58 32.73 3i6l s HIS 31 CO 0.17 -0.23 1.19 -1.25 -2.47 0.00 0.00 174.74 172.15 3i6l s PRO 32 N 0.63 -0.30 0.36 2.88 0.04 -1.26 -0.48 135.00 136.87 3i6l s PRO 32 Ca -0.04 -0.17 0.27 0.00 0.04 0.00 0.00 61.00 61.11 3i6l s PRO 32 Cb -0.05 -1.71 0.97 0.00 0.04 0.00 0.00 34.50 33.75 3i6l s PRO 32 CO -0.04 -3.08 1.79 0.66 0.04 0.00 0.00 177.00 176.37 3i6l h SER 33 N -2.13 0.00 -2.25 6.66 4.64 -2.00 -3.44 113.55 115.03 3i6l h SER 33 Ca -0.45 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 3i6l h SER 33 Cb 1.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3i6l h SER 33 CO 0.38 0.00 1.32 -0.62 -0.87 0.00 0.00 176.83 177.04 3i6l s ASP 34 N -5.00 6.13 0.05 4.97 2.15 -1.26 -4.94 116.67 118.78 3i6l s ASP 34 Ca 0.05 2.42 -0.18 0.00 0.43 0.00 0.00 52.55 55.27 3i6l s ASP 34 Cb 0.09 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.22 3i6l s ASP 34 CO 0.52 -1.34 0.42 -0.51 -0.17 0.00 0.00 175.17 174.08 3i6l s ILE 35 N 5.68 0.06 -0.12 4.11 2.07 -1.26 -4.63 121.20 127.10 3i6l s ILE 35 Ca 0.92 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 3i6l s ILE 35 Cb -0.40 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.23 3i6l s ILE 35 CO 0.39 -0.25 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.38 3i6l s GLU 36 N -2.61 2.55 -0.04 3.50 0.41 -0.32 -5.00 118.70 117.20 3i6l s GLU 36 Ca -0.04 -0.68 0.02 0.00 -0.41 0.00 0.00 54.97 53.86 3i6l s GLU 36 Cb -0.01 -2.11 0.01 0.00 -1.78 0.00 0.00 34.13 30.24 3i6l s GLU 36 CO -0.03 -0.05 -0.08 0.08 -0.49 0.00 0.00 175.26 174.69 3i6l s VAL 37 N 0.92 0.77 -0.00 2.63 1.01 -1.26 -0.90 120.40 123.58 3i6l s VAL 37 Ca -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 3i6l s VAL 37 Cb -0.15 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 3i6l s VAL 37 CO -0.02 0.26 0.01 -1.81 0.00 0.00 0.00 175.10 173.54 3i6l s ASP 38 N 0.43 0.05 -0.16 3.32 1.01 0.54 -4.99 116.67 116.87 3i6l s ASP 38 Ca -0.07 -0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 3i6l s ASP 38 Cb -0.11 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 3i6l s ASP 38 CO 0.01 -0.10 0.13 -0.76 0.21 0.00 0.00 175.17 174.66 3i6l s LEU 39 N -0.43 4.29 -0.04 1.23 1.43 -1.26 0.97 118.68 124.86 3i6l s LEU 39 Ca -0.05 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3i6l s LEU 39 Cb -0.03 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3i6l s LEU 39 CO -0.00 0.30 -0.01 -0.76 0.23 0.00 0.00 176.35 176.10 3i6l s LEU 40 N -0.34 3.48 -0.22 1.79 1.43 0.62 -0.57 118.68 124.87 3i6l s LEU 40 Ca 0.11 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3i6l s LEU 40 Cb -0.12 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3i6l s LEU 40 CO 0.01 0.33 -0.13 -0.75 0.23 0.00 0.00 176.35 176.04 3i6l s LYS 41 N -1.17 2.76 -1.37 1.70 2.20 0.11 -2.23 119.74 121.74 3i6l s LYS 41 Ca 0.16 -1.00 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 3i6l s LYS 41 Cb -0.11 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 3i6l s LYS 41 CO 0.06 -0.36 0.47 0.09 -0.36 0.00 0.00 175.35 175.24 3i6l n ASN 42 N 4.59 -0.96 0.00 1.43 3.02 -0.12 -2.15 115.26 121.06 3i6l n ASN 42 Ca -0.18 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3i6l n ASN 42 Cb 0.47 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 3i6l n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6l n GLY 43 N -1.95 0.93 3.27 7.41 0.00 -1.26 -5.00 105.19 108.59 3i6l n GLY 43 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3i6l n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6l s GLU 44 N -0.09 2.47 0.20 1.61 0.41 -0.91 -5.04 118.70 117.34 3i6l s GLU 44 Ca 0.00 -0.90 -0.32 0.00 -0.41 0.00 0.00 54.97 53.34 3i6l s GLU 44 Cb 0.00 -2.12 -0.12 0.00 -1.78 0.00 0.00 34.13 30.11 3i6l s GLU 44 CO 0.00 0.40 1.73 0.50 -0.49 0.00 0.00 175.26 177.39 3i6l s ARG 45 N -0.21 4.13 0.21 1.61 3.52 -1.26 0.06 118.95 127.00 3i6l s ARG 45 Ca -0.02 2.60 -0.27 0.00 -0.13 0.00 0.00 55.73 57.92 3i6l s ARG 45 Cb -0.13 -3.12 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 3i6l s ARG 45 CO 0.03 -0.76 0.84 0.42 -0.81 0.00 0.00 175.30 175.03 3i6l s ILE 46 N 1.30 4.26 0.43 4.11 1.01 0.27 -4.83 121.20 127.75 3i6l s ILE 46 Ca 0.75 1.82 0.04 0.00 0.00 0.00 0.00 60.65 63.26 3i6l s ILE 46 Cb -0.49 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 37.81 3i6l s ILE 46 CO 0.32 0.46 0.62 -1.61 0.00 0.00 0.00 174.94 174.73 3i6l s GLU 47 N -1.30 2.93 0.00 2.79 2.02 -1.26 -4.42 118.70 119.46 3i6l s GLU 47 Ca 0.39 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3i6l s GLU 47 Cb -0.23 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3i6l s GLU 47 CO 0.28 -0.27 0.00 1.63 0.02 0.00 0.00 175.26 176.92 3i6l n LYS 48 N -1.97 -1.49 -1.87 1.61 5.02 -1.26 -4.97 118.16 113.23 3i6l n LYS 48 Ca 0.03 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 3i6l n LYS 48 Cb 0.58 -4.50 -0.02 0.00 -0.02 0.00 0.00 35.03 31.07 3i6l n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i6l s VAL 49 N -1.25 2.34 0.41 -0.18 1.01 -1.26 -4.98 120.40 116.49 3i6l s VAL 49 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.33 3i6l s VAL 49 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3i6l s VAL 49 CO 0.00 0.04 0.42 -1.61 0.00 0.00 0.00 175.10 173.95 3i6l s GLU 50 N 0.01 2.63 -0.01 2.72 2.02 -0.57 -4.94 118.70 120.57 3i6l s GLU 50 Ca 0.65 -1.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.02 3i6l s GLU 50 Cb -0.45 -2.49 0.03 0.00 0.10 0.00 0.00 34.13 31.32 3i6l s GLU 50 CO 0.42 -0.18 0.39 -3.38 0.02 0.00 0.00 175.26 172.52 3i6l s HIS 51 N -2.42 -0.27 0.88 1.61 -3.43 -1.26 -1.11 115.29 109.29 3i6l s HIS 51 Ca 0.49 0.38 -0.10 0.00 -0.80 0.00 0.00 55.06 55.02 3i6l s HIS 51 Cb -0.05 0.17 0.12 0.00 -1.43 0.00 0.00 32.58 31.39 3i6l s HIS 51 CO 0.29 -0.47 1.12 -1.54 -2.00 0.00 0.00 174.74 172.14 3i6l s SER 52 N -1.48 3.34 0.23 7.38 1.04 -0.06 -4.98 113.70 119.18 3i6l s SER 52 Ca -0.11 1.99 -0.30 0.00 0.48 0.00 0.00 55.95 58.02 3i6l s SER 52 Cb -0.03 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 3i6l s SER 52 CO 0.04 -2.81 1.12 -1.81 0.98 0.00 0.00 173.24 170.76 3i6l s ASP 53 N -2.94 7.23 0.13 7.02 1.01 -1.26 -4.72 116.67 123.14 3i6l s ASP 53 Ca 0.65 2.22 -0.34 0.00 0.71 0.00 0.00 52.55 55.78 3i6l s ASP 53 Cb -0.21 -2.62 -0.14 0.00 1.01 0.00 0.00 42.92 40.97 3i6l s ASP 53 CO 0.58 -0.21 1.59 -0.11 0.21 0.00 0.00 175.17 177.23 3i6l n LEU 54 N 1.76 3.01 -4.15 1.23 7.94 -1.26 -4.93 117.00 120.59 3i6l n LEU 54 Ca 0.01 1.08 -0.13 0.00 -1.11 0.00 0.00 56.01 55.85 3i6l n LEU 54 Cb 0.45 -1.40 -0.08 0.00 0.53 0.00 0.00 43.42 42.92 3i6l n LEU 54 CO 0.54 -0.33 -0.06 -0.55 -1.11 0.00 0.00 177.39 175.88 3i6l s SER 55 N 1.16 0.51 0.05 1.96 0.15 -1.23 -5.06 113.70 111.24 3i6l s SER 55 Ca 0.80 -1.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.02 3i6l s SER 55 Cb -0.70 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 3i6l s SER 55 CO 0.40 -1.02 0.10 0.72 1.20 0.00 0.00 173.24 174.64 3i6l s PHE 56 N -3.81 0.23 0.88 3.44 -0.12 -1.26 -1.67 117.98 115.66 3i6l s PHE 56 Ca 0.34 -0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 56.53 3i6l s PHE 56 Cb 0.03 -0.16 0.18 0.00 -0.63 0.00 0.00 43.02 42.44 3i6l s PHE 56 CO 0.16 -0.41 1.20 -1.12 -0.05 0.00 0.00 175.22 175.00 3i6l s SER 57 N -2.39 3.55 0.39 1.98 0.01 0.56 -4.93 113.70 112.87 3i6l s SER 57 Ca -0.01 0.01 0.12 0.00 1.31 0.00 0.00 55.95 57.38 3i6l s SER 57 Cb 0.01 -0.17 0.80 0.00 0.21 0.00 0.00 66.02 66.88 3i6l s SER 57 CO -0.07 -2.43 1.89 0.11 0.41 0.00 0.00 173.24 173.16 3i6l h LYS 58 N -1.24 0.07 0.00 12.44 6.56 -2.03 0.60 116.57 132.98 3i6l h LYS 58 Ca -0.41 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3i6l h LYS 58 Cb 1.24 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 3i6l h LYS 58 CO 0.38 0.33 0.00 -0.40 -2.06 0.00 0.00 179.45 177.70 3i6l n ASP 59 N -4.20 0.00 0.00 0.86 5.75 -1.26 -4.88 116.55 112.82 3i6l n ASP 59 Ca -0.02 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3i6l n ASP 59 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3i6l n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3i6l n TRP 60 N -0.52 0.00 -2.94 2.11 7.02 0.20 -5.01 117.44 118.30 3i6l n TRP 60 Ca 0.01 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.14 3i6l n TRP 60 Cb 0.00 -0.18 -0.06 0.00 -2.42 0.00 0.00 31.31 28.65 3i6l n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3i6l s SER 61 N -3.01 7.08 0.40 -0.99 1.04 -1.26 -4.70 113.70 112.26 3i6l s SER 61 Ca 0.00 1.59 -0.08 0.00 0.48 0.00 0.00 55.95 57.95 3i6l s SER 61 Cb 0.00 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 3i6l s SER 61 CO 0.00 -0.12 0.72 -0.36 0.98 0.00 0.00 173.24 174.46 3i6l s PHE 62 N -1.76 3.50 0.02 5.02 0.40 -0.44 -0.33 117.98 124.39 3i6l s PHE 62 Ca 0.51 0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 57.69 3i6l s PHE 62 Cb -0.15 -2.31 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 3i6l s PHE 62 CO 0.20 -0.08 0.02 1.52 0.70 0.00 0.00 175.22 177.57 3i6l s TYR 63 N -2.40 0.22 -0.04 0.36 -0.85 -0.67 -2.07 117.35 111.90 3i6l s TYR 63 Ca 0.48 -0.46 -0.07 0.00 -0.52 0.00 0.00 57.07 56.50 3i6l s TYR 63 Cb -0.10 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.08 3i6l s TYR 63 CO 0.34 -0.23 0.17 -0.51 -1.52 0.00 0.00 175.55 173.80 3i6l s LEU 64 N -1.55 1.40 -0.22 -3.49 1.43 -0.29 -3.57 118.68 112.40 3i6l s LEU 64 Ca -0.14 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3i6l s LEU 64 Cb -0.08 0.66 -0.02 0.00 0.03 0.00 0.00 46.19 46.78 3i6l s LEU 64 CO -0.01 -0.19 -0.00 -0.22 0.23 0.00 0.00 176.35 176.15 3i6l s LEU 65 N -0.53 3.14 -0.17 1.79 2.96 -1.26 -1.68 118.68 122.93 3i6l s LEU 65 Ca -0.06 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3i6l s LEU 65 Cb -0.04 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3i6l s LEU 65 CO 0.01 0.00 0.02 -0.31 -1.32 0.00 0.00 176.35 174.75 3i6l s TYR 66 N 1.38 3.15 0.07 5.38 1.51 0.03 -0.88 117.35 128.00 3i6l s TYR 66 Ca 0.05 -0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 55.96 3i6l s TYR 66 Cb -0.15 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3i6l s TYR 66 CO 0.00 0.07 0.11 1.52 -1.11 0.00 0.00 175.55 176.14 3i6l s TYR 67 N 0.36 0.28 -0.13 2.71 1.13 -0.27 0.25 117.35 121.68 3i6l s TYR 67 Ca -0.00 -0.74 -0.21 0.00 -1.41 0.00 0.00 57.07 54.71 3i6l s TYR 67 Cb -0.13 -0.18 0.05 0.00 -1.10 0.00 0.00 41.96 40.60 3i6l s TYR 67 CO 0.01 -0.47 0.53 -0.08 -2.51 0.00 0.00 175.55 173.03 3i6l s THR 68 N -3.76 0.01 0.34 -3.49 -1.32 -0.31 -1.51 115.64 105.60 3i6l s THR 68 Ca 0.05 -0.10 -0.29 0.00 -1.21 0.00 0.00 61.69 60.14 3i6l s THR 68 Cb 0.05 -0.79 -0.11 0.00 -1.51 0.00 0.00 72.50 70.15 3i6l s THR 68 CO -0.10 -0.05 1.40 -0.70 -2.21 0.00 0.00 174.62 172.96 3i6l s GLU 69 N -0.41 4.24 0.17 7.08 2.12 -1.26 -0.51 118.70 130.13 3i6l s GLU 69 Ca -0.06 2.38 -0.22 0.00 0.36 0.00 0.00 54.97 57.44 3i6l s GLU 69 Cb -0.03 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.39 3i6l s GLU 69 CO 0.04 -0.37 0.58 -0.59 -0.54 0.00 0.00 175.26 174.38 3i6l s PHE 70 N -0.96 -0.45 -0.29 5.30 -0.71 0.10 -4.85 117.98 116.13 3i6l s PHE 70 Ca 0.52 0.20 -0.04 0.00 -1.04 0.00 0.00 56.93 56.57 3i6l s PHE 70 Cb -0.43 0.52 0.03 0.00 -1.21 0.00 0.00 43.02 41.93 3i6l s PHE 70 CO 0.56 -0.86 0.03 0.99 -1.34 0.00 0.00 175.22 174.59 3i6l s THR 71 N -3.78 3.44 0.48 -4.49 2.01 -1.26 0.27 115.64 112.31 3i6l s THR 71 Ca 0.02 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 3i6l s THR 71 Cb -0.01 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 3i6l s THR 71 CO -0.11 0.03 1.31 -2.84 -0.69 0.00 0.00 174.62 172.32 3i6l s PRO 72 N 1.39 3.55 0.08 4.92 0.02 -1.25 -4.81 135.00 138.90 3i6l s PRO 72 Ca -0.00 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.16 3i6l s PRO 72 Cb -0.18 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 3i6l s PRO 72 CO -0.00 -0.82 -0.06 0.95 -0.33 0.00 0.00 177.00 176.73 3i6l s THR 73 N -1.34 0.57 0.44 0.99 -4.23 -1.26 -1.67 115.64 109.15 3i6l s THR 73 Ca 0.65 -1.75 0.12 0.00 -1.18 0.00 0.00 61.69 59.53 3i6l s THR 73 Cb -0.37 -1.44 0.21 0.00 1.34 0.00 0.00 72.50 72.23 3i6l s THR 73 CO 0.46 -0.81 2.02 1.05 -0.54 0.00 0.00 174.62 176.80 3i6l h GLU 74 N 3.29 0.14 0.08 3.99 4.11 -1.98 -3.17 114.58 121.05 3i6l h GLU 74 Ca -0.35 -0.02 -0.32 0.00 0.07 0.00 0.00 59.36 58.74 3i6l h GLU 74 Cb 1.17 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3i6l h GLU 74 CO 0.60 0.22 -1.73 0.87 0.07 0.00 0.00 179.01 179.04 3i6l h LYS 75 N 0.14 0.18 -6.28 1.06 1.57 -2.02 -3.46 116.57 107.76 3i6l h LYS 75 Ca 0.03 -0.30 -0.55 0.00 -1.87 0.00 0.00 60.65 57.96 3i6l h LYS 75 Cb 0.20 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3i6l h LYS 75 CO 0.01 0.96 0.97 -0.51 -0.57 0.00 0.00 179.45 180.32 3i6l s ASP 76 N -6.73 6.77 0.01 0.86 1.01 -1.20 -5.03 116.67 112.36 3i6l s ASP 76 Ca -0.12 2.11 -0.14 0.00 0.71 0.00 0.00 52.55 55.11 3i6l s ASP 76 Cb 0.07 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 3i6l s ASP 76 CO 0.82 -0.83 0.40 -1.61 0.21 0.00 0.00 175.17 174.15 3i6l s GLU 77 N 3.39 3.88 0.08 8.23 2.02 -1.26 -4.66 118.70 130.37 3i6l s GLU 77 Ca 0.67 0.36 0.09 0.00 0.02 0.00 0.00 54.97 56.11 3i6l s GLU 77 Cb -0.31 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 3i6l s GLU 77 CO 0.26 0.67 -0.25 0.71 0.02 0.00 0.00 175.26 176.67 3i6l s TYR 78 N -1.13 2.14 0.14 1.61 1.51 -1.26 -0.95 117.35 119.41 3i6l s TYR 78 Ca 0.25 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3i6l s TYR 78 Cb -0.16 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3i6l s TYR 78 CO 0.14 0.19 0.22 0.00 -1.11 0.00 0.00 175.55 174.99 3i6l s ALA 79 N -0.92 0.09 -0.09 3.71 0.00 -0.94 0.07 121.76 123.67 3i6l s ALA 79 Ca 0.11 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3i6l s ALA 79 Cb -0.10 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3i6l s ALA 79 CO 0.03 -0.59 -0.23 0.00 0.00 0.00 0.00 175.76 174.98 3i6l s ARG 81 N 0.33 3.65 -0.02 0.00 3.52 0.27 -0.66 118.95 126.04 3i6l s ARG 81 Ca -0.17 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3i6l s ARG 81 Cb -0.17 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 3i6l s ARG 81 CO 0.08 0.15 -0.15 0.08 -0.81 0.00 0.00 175.30 174.65 3i6l s VAL 82 N 0.61 1.19 -0.01 7.11 1.01 0.06 -0.34 120.40 130.03 3i6l s VAL 82 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3i6l s VAL 82 Cb -0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3i6l s VAL 82 CO 0.02 0.34 -0.09 0.21 0.00 0.00 0.00 175.10 175.58 3i6l s ASN 83 N -0.17 1.12 -0.02 3.32 3.04 -0.08 0.03 114.94 122.19 3i6l s ASN 83 Ca 0.02 -0.17 -0.26 0.00 0.04 0.00 0.00 52.86 52.49 3i6l s ASN 83 Cb -0.08 -0.15 0.06 0.00 -1.54 0.00 0.00 41.25 39.54 3i6l s ASN 83 CO 0.00 0.11 0.57 -2.28 -3.04 0.00 0.00 177.10 172.46 3i6l s HIS 84 N -0.16 -0.51 0.34 0.43 2.46 -1.26 -1.17 115.29 115.42 3i6l s HIS 84 Ca 0.03 0.80 0.14 0.00 0.47 0.00 0.00 55.06 56.50 3i6l s HIS 84 Cb -0.04 0.34 1.06 0.00 -0.13 0.00 0.00 32.58 33.81 3i6l s HIS 84 CO -0.00 -0.58 1.68 0.28 -2.47 0.00 0.00 174.74 173.64 3i6l h VAL 85 N 3.09 0.34 0.00 0.89 2.07 -1.95 0.15 116.25 120.84 3i6l h VAL 85 Ca -0.29 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3i6l h VAL 85 Cb 1.17 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3i6l h VAL 85 CO 0.40 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.40 3i6l n THR 86 N -5.00 0.68 -3.46 2.57 -2.24 -1.26 -4.75 114.28 100.82 3i6l n THR 86 Ca 0.31 0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.75 3i6l n THR 86 Cb 0.95 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 3i6l n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i6l s LEU 87 N -4.13 4.39 0.13 3.22 1.43 0.04 -4.98 118.68 118.78 3i6l s LEU 87 Ca 0.08 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 3i6l s LEU 87 Cb 0.11 -2.58 -0.15 0.00 0.03 0.00 0.00 46.19 43.60 3i6l s LEU 87 CO 0.46 0.21 1.29 0.77 0.23 0.00 0.00 176.35 179.30 3i6l h SER 88 N 5.51 0.13 -5.13 2.29 4.64 -1.85 -3.45 113.55 115.69 3i6l h SER 88 Ca -0.47 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 60.59 3i6l h SER 88 Cb 1.20 -0.04 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 3i6l h SER 88 CO 0.67 1.05 -0.58 0.00 -0.87 0.00 0.00 176.83 177.10 3i6l s GLN 89 N -2.84 0.58 0.44 4.77 -2.07 -1.26 -5.14 119.66 114.13 3i6l s GLN 89 Ca -0.01 -0.90 -0.23 0.00 -1.82 0.00 0.00 55.36 52.41 3i6l s GLN 89 Cb 0.10 0.22 -0.11 0.00 -1.09 0.00 0.00 33.01 32.12 3i6l s GLN 89 CO 0.83 -0.13 0.73 -2.30 -1.32 0.00 0.00 175.29 173.10 3i6l n PRO 90 N 0.61 0.84 -4.11 9.60 -0.02 -1.26 -4.95 135.00 135.71 3i6l n PRO 90 Ca -0.18 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 3i6l n PRO 90 Cb 0.59 -1.73 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 3i6l n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i6l s LYS 91 N -1.82 3.81 -0.21 -0.52 2.47 0.10 -4.94 119.74 118.64 3i6l s LYS 91 Ca 0.64 -0.43 -0.03 0.00 -1.56 0.00 0.00 55.97 54.59 3i6l s LYS 91 Cb -0.57 -3.12 -0.00 0.00 -1.46 0.00 0.00 37.83 32.67 3i6l s LYS 91 CO 0.57 0.18 -0.07 0.42 0.16 0.00 0.00 175.35 176.61 3i6l s ILE 92 N 0.58 3.13 -0.23 5.43 1.01 -1.26 -0.76 121.20 129.10 3i6l s ILE 92 Ca 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3i6l s ILE 92 Cb -0.13 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3i6l s ILE 92 CO 0.02 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 3i6l s VAL 93 N 1.41 3.28 0.25 2.92 1.01 0.17 -4.94 120.40 124.50 3i6l s VAL 93 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3i6l s VAL 93 Cb -0.14 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 3i6l s VAL 93 CO -0.05 0.38 0.96 -0.54 0.00 0.00 0.00 175.10 175.85 3i6l s LYS 94 N 1.45 4.82 0.01 2.72 1.02 -1.26 -0.22 119.74 128.28 3i6l s LYS 94 Ca 0.05 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.25 3i6l s LYS 94 Cb -0.15 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 33.85 3i6l s LYS 94 CO -0.04 0.47 1.69 -0.46 -0.92 0.00 0.00 175.35 176.10 3i6l s TRP 95 N -1.20 2.08 -0.27 3.18 -0.00 0.11 -4.89 118.94 117.95 3i6l s TRP 95 Ca 0.42 0.17 0.01 0.00 -0.00 0.00 0.00 56.10 56.70 3i6l s TRP 95 Cb -0.26 -3.97 0.05 0.00 -0.00 0.00 0.00 33.47 29.29 3i6l s TRP 95 CO 0.32 -4.05 -0.08 0.34 -0.00 0.00 0.00 176.95 173.48 3i6l s ASP 96 N 3.08 4.51 0.56 5.86 -1.08 -1.26 -4.74 116.67 123.60 3i6l s ASP 96 Ca 0.75 -1.28 0.44 0.00 -0.52 0.00 0.00 52.55 51.95 3i6l s ASP 96 Cb -0.37 -1.61 1.65 0.00 -1.46 0.00 0.00 42.92 41.13 3i6l s ASP 96 CO 0.32 -0.20 1.66 -0.09 0.52 0.00 0.00 175.17 177.39 3i6l h ARG 97 N 7.87 0.00 0.00 4.34 2.43 -1.95 -2.42 114.38 124.65 3i6l h ARG 97 Ca -0.22 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.67 3i6l h ARG 97 Cb 1.06 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 3i6l h ARG 97 CO 0.50 0.00 -2.08 -0.25 -1.51 0.00 0.00 179.97 176.63 3i6l n ASP 98 N -4.01 1.11 0.00 -3.80 8.00 -1.26 -4.86 116.55 111.74 3i6l n ASP 98 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.86 3i6l n ASP 98 Cb 1.69 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 43.70 3i6l n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04