#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lks s ILE 1 N 0.00 4.88 0.14 2.02 -0.00 -1.26 -5.07 121.20 121.90 3lks s ILE 1 Ca 0.00 1.25 0.11 0.00 -0.00 0.00 0.00 60.65 62.00 3lks s ILE 1 Cb 0.00 -3.93 -0.04 0.00 -0.00 0.00 0.00 42.46 38.49 3lks s ILE 1 CO 0.00 0.44 -0.25 -1.10 -0.00 0.00 0.00 174.94 174.03 3lks s GLN 2 N -0.33 1.48 -0.06 0.37 -0.21 -1.26 -4.84 119.66 114.82 3lks s GLN 2 Ca 0.31 -1.34 0.05 0.00 0.02 0.00 0.00 55.36 54.40 3lks s GLN 2 Cb -0.18 -1.93 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 3lks s GLN 2 CO 0.18 0.45 -0.23 1.03 -2.12 0.00 0.00 175.29 174.60 3lks s ARG 3 N -2.16 2.36 0.28 2.91 0.52 0.13 -4.93 118.95 118.06 3lks s ARG 3 Ca 0.16 -0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 54.33 3lks s ARG 3 Cb -0.10 -1.99 -0.09 0.00 0.52 0.00 0.00 34.95 33.29 3lks s ARG 3 CO 0.07 0.32 0.84 -0.08 0.02 0.00 0.00 175.30 176.47 3lks s THR 4 N -0.05 4.40 0.45 0.02 -1.32 -1.26 -1.63 115.64 116.25 3lks s THR 4 Ca -0.05 1.53 -0.24 0.00 -1.21 0.00 0.00 61.69 61.72 3lks s THR 4 Cb -0.13 -3.90 -0.07 0.00 -1.51 0.00 0.00 72.50 66.88 3lks s THR 4 CO 0.04 0.13 1.24 -2.16 -2.21 0.00 0.00 174.62 171.66 3lks s PRO 5 N -2.12 3.73 0.24 7.08 0.04 -1.26 -4.34 135.00 138.36 3lks s PRO 5 Ca 0.48 1.97 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 3lks s PRO 5 Cb -0.17 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.79 3lks s PRO 5 CO 0.22 -0.63 0.65 0.15 0.04 0.00 0.00 177.00 177.42 3lks s LYS 6 N -2.57 4.01 -0.04 4.56 1.02 0.16 -4.92 119.74 121.96 3lks s LYS 6 Ca 0.63 0.59 0.01 0.00 0.02 0.00 0.00 55.97 57.21 3lks s LYS 6 Cb -0.34 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 3lks s LYS 6 CO 0.41 0.32 -0.03 0.42 -0.92 0.00 0.00 175.35 175.56 3lks s ILE 7 N -1.72 0.45 -0.03 2.17 1.01 -1.26 -1.52 121.20 120.30 3lks s ILE 7 Ca 0.46 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.09 3lks s ILE 7 Cb -0.13 -0.50 -0.00 0.00 0.01 0.00 0.00 42.46 41.83 3lks s ILE 7 CO 0.19 0.21 -0.13 -1.10 0.00 0.00 0.00 174.94 174.12 3lks s GLN 8 N 1.06 1.28 -0.10 2.79 -0.21 -0.23 -4.98 119.66 119.27 3lks s GLN 8 Ca -0.09 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 54.87 3lks s GLN 8 Cb -0.14 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.70 3lks s GLN 8 CO -0.01 0.21 -0.22 0.08 -2.12 0.00 0.00 175.29 173.22 3lks s VAL 9 N 0.00 2.22 0.08 1.09 1.01 -1.26 -0.60 120.40 122.95 3lks s VAL 9 Ca -0.01 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 3lks s VAL 9 Cb -0.09 -1.85 0.09 0.00 0.00 0.00 0.00 36.38 34.53 3lks s VAL 9 CO 0.01 0.56 1.10 -0.72 0.00 0.00 0.00 175.10 176.04 3lks s TYR 10 N 0.23 -0.09 0.12 5.22 -0.85 -0.49 -4.54 117.35 116.95 3lks s TYR 10 Ca -0.14 -0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.31 3lks s TYR 10 Cb -0.17 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3lks s TYR 10 CO 0.07 -0.60 0.15 -1.54 -1.52 0.00 0.00 175.55 172.11 3lks s SER 11 N -2.96 5.75 0.14 -0.18 1.04 -1.26 0.41 113.70 116.65 3lks s SER 11 Ca 0.13 0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.39 3lks s SER 11 Cb 0.01 -1.59 -0.01 0.00 0.10 0.00 0.00 66.02 64.53 3lks s SER 11 CO -0.00 0.11 1.76 -0.09 0.98 0.00 0.00 173.24 176.00 3lks h ARG 12 N 2.75 0.25 -6.43 4.02 2.43 -1.46 -3.44 114.38 112.50 3lks h ARG 12 Ca -0.47 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.06 3lks h ARG 12 Cb 1.18 -0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.54 3lks h ARG 12 CO 0.66 0.17 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.57 3lks s HIS 13 N -6.17 2.69 0.17 2.20 3.76 -1.26 -5.04 115.29 111.64 3lks s HIS 13 Ca -0.13 -0.19 -0.33 0.00 -0.15 0.00 0.00 55.06 54.26 3lks s HIS 13 Cb 0.10 -1.32 -0.16 0.00 1.11 0.00 0.00 32.58 32.31 3lks s HIS 13 CO 0.70 0.51 1.11 -2.30 -0.85 0.00 0.00 174.74 173.90 3lks n PRO 14 N 0.07 1.03 -2.36 8.40 -0.02 -1.26 -4.83 135.00 136.03 3lks n PRO 14 Ca -0.11 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3lks n PRO 14 Cb 0.55 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 3lks n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lks s ALA 15 N -0.28 3.54 -0.12 3.55 0.00 -1.26 -5.02 121.76 122.17 3lks s ALA 15 Ca 0.73 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 3lks s ALA 15 Cb -0.87 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 18.72 3lks s ALA 15 CO 0.53 -0.87 -0.06 -2.00 0.00 0.00 0.00 175.76 173.37 3lks s GLU 16 N 2.44 1.39 0.06 0.00 2.12 -1.26 -5.11 118.70 118.33 3lks s GLU 16 Ca 0.59 -0.28 -0.36 0.00 0.36 0.00 0.00 54.97 55.27 3lks s GLU 16 Cb -0.27 -1.64 -0.16 0.00 0.26 0.00 0.00 34.13 32.32 3lks s GLU 16 CO 0.23 -0.32 1.46 0.09 -0.54 0.00 0.00 175.26 176.18 3lks n ASN 17 N 4.95 2.14 0.00 -1.70 3.02 -1.26 -0.74 115.26 121.67 3lks n ASN 17 Ca -0.12 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 3lks n ASN 17 Cb 0.49 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 3lks n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lks n GLY 18 N 2.99 2.32 3.70 7.41 0.00 -0.33 -5.00 105.19 116.29 3lks n GLY 18 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3lks n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lks s LYS 19 N -0.27 4.16 0.56 1.61 1.02 0.08 -4.97 119.74 121.93 3lks s LYS 19 Ca 0.00 -0.15 -0.21 0.00 0.02 0.00 0.00 55.97 55.63 3lks s LYS 19 Cb 0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3lks s LYS 19 CO 0.00 0.19 1.31 0.45 -0.92 0.00 0.00 175.35 176.38 3lks s SER 20 N 0.65 5.25 0.00 2.83 0.15 -1.26 -4.14 113.70 117.19 3lks s SER 20 Ca 0.10 2.65 -0.00 0.00 0.70 0.00 0.00 55.95 59.40 3lks s SER 20 Cb -0.12 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 3lks s SER 20 CO 0.02 -1.57 0.01 -3.20 1.20 0.00 0.00 173.24 169.70 3lks n ASN 21 N -1.17 -0.02 -4.05 5.45 2.85 -0.11 -4.98 115.26 113.22 3lks n ASN 21 Ca 0.11 -1.02 -0.23 0.00 -0.11 0.00 0.00 54.58 53.33 3lks n ASN 21 Cb 0.46 0.04 -0.16 0.00 1.24 0.00 0.00 39.78 41.36 3lks n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3lks s PHE 22 N -8.71 1.32 -0.23 1.20 0.08 -1.26 -1.69 117.98 108.69 3lks s PHE 22 Ca 0.00 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.54 3lks s PHE 22 Cb -0.00 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 3lks s PHE 22 CO 0.00 -0.16 0.26 -1.17 -0.10 0.00 0.00 175.22 174.04 3lks s LEU 23 N 0.25 4.13 -0.03 -0.37 2.96 0.03 -1.03 118.68 124.61 3lks s LEU 23 Ca -0.06 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3lks s LEU 23 Cb -0.11 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3lks s LEU 23 CO 0.02 0.00 -0.06 0.20 -1.32 0.00 0.00 176.35 175.19 3lks s ASN 24 N 1.07 4.67 -0.18 3.68 0.02 0.17 -1.96 114.94 122.41 3lks s ASN 24 Ca 0.12 -0.08 0.00 0.00 -1.02 0.00 0.00 52.86 51.88 3lks s ASN 24 Cb -0.14 -1.14 0.04 0.00 0.02 0.00 0.00 41.25 40.04 3lks s ASN 24 CO 0.06 0.32 -0.07 0.00 0.02 0.00 0.00 177.10 177.43 3lks s TYR 26 N 1.54 3.16 -0.12 0.00 5.04 0.23 -1.02 117.35 126.18 3lks s TYR 26 Ca -0.00 -0.66 -0.03 0.00 -2.44 0.00 0.00 57.07 53.94 3lks s TYR 26 Cb -0.16 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.80 3lks s TYR 26 CO -0.08 -0.48 -0.03 0.14 -1.34 0.00 0.00 175.55 173.76 3lks s VAL 27 N 1.58 3.99 0.30 3.14 -7.23 -0.52 -1.06 120.40 120.60 3lks s VAL 27 Ca 0.04 -0.34 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 3lks s VAL 27 Cb -0.17 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.07 3lks s VAL 27 CO 0.05 0.54 0.58 -0.94 -0.31 0.00 0.00 175.10 175.02 3lks s SER 28 N -0.13 0.09 -1.69 4.85 1.04 -0.58 -1.15 113.70 116.14 3lks s SER 28 Ca 0.03 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3lks s SER 28 Cb -0.13 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3lks s SER 28 CO 0.02 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.53 3lks n GLY 29 N -0.46 1.60 3.79 7.32 0.00 -0.97 0.40 105.19 116.87 3lks n GLY 29 Ca -0.03 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3lks n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lks s PHE 30 N -2.58 3.08 -0.28 1.61 -0.12 -1.20 -4.41 117.98 114.08 3lks s PHE 30 Ca 0.00 -0.08 -0.18 0.00 -0.05 0.00 0.00 56.93 56.62 3lks s PHE 30 Cb 0.00 -1.44 0.09 0.00 -0.63 0.00 0.00 43.02 41.05 3lks s PHE 30 CO 0.00 0.53 0.78 -1.58 -0.05 0.00 0.00 175.22 174.89 3lks s HIS 31 N -1.94 -0.88 0.34 3.49 2.46 -0.65 -0.64 115.29 117.48 3lks s HIS 31 Ca 0.31 1.83 -0.06 0.00 0.47 0.00 0.00 55.06 57.62 3lks s HIS 31 Cb -0.09 0.49 0.08 0.00 -0.13 0.00 0.00 32.58 32.93 3lks s HIS 31 CO 0.23 -0.43 0.37 -0.35 -2.47 0.00 0.00 174.74 172.09 3lks n PRO 32 N 3.73 -1.02 0.10 2.88 -0.04 -1.26 0.17 135.00 139.57 3lks n PRO 32 Ca -0.18 -0.58 0.03 0.00 -0.04 0.00 0.00 63.50 62.72 3lks n PRO 32 Cb 0.58 -0.46 -0.01 0.00 -0.04 0.00 0.00 33.50 33.57 3lks n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3lks h SER 33 N -1.02 0.00 -3.22 3.54 4.64 -1.99 -3.46 113.55 112.03 3lks h SER 33 Ca -0.13 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.66 3lks h SER 33 Cb 0.37 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.54 3lks h SER 33 CO 0.09 0.47 0.89 -1.81 -0.87 0.00 0.00 176.83 175.59 3lks s ASP 34 N -6.12 6.42 -0.08 4.97 -0.00 -1.26 -4.98 116.67 115.62 3lks s ASP 34 Ca 0.01 2.89 -0.30 0.00 -0.00 0.00 0.00 52.55 55.15 3lks s ASP 34 Cb 0.08 -2.63 0.07 0.00 -0.00 0.00 0.00 42.92 40.45 3lks s ASP 34 CO 0.77 -0.89 0.70 -0.51 -0.00 0.00 0.00 175.17 175.24 3lks s ILE 35 N 0.21 0.00 -0.11 0.77 2.07 -1.26 -4.64 121.20 118.24 3lks s ILE 35 Ca 0.65 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.92 3lks s ILE 35 Cb -0.47 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.12 3lks s ILE 35 CO 0.44 0.00 -0.22 -1.83 -1.91 0.00 0.00 174.94 171.42 3lks s GLU 36 N -1.02 2.93 -0.09 3.50 -1.05 -0.42 -5.01 118.70 117.55 3lks s GLU 36 Ca -0.09 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 53.91 3lks s GLU 36 Cb -0.01 -2.29 0.02 0.00 -0.44 0.00 0.00 34.13 31.42 3lks s GLU 36 CO 0.09 0.09 -0.10 0.08 0.95 0.00 0.00 175.26 176.36 3lks s VAL 37 N 0.57 1.08 0.12 1.83 1.01 -1.26 -1.04 120.40 122.71 3lks s VAL 37 Ca -0.14 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.56 3lks s VAL 37 Cb -0.17 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3lks s VAL 37 CO 0.04 0.36 -0.25 -1.81 0.00 0.00 0.00 175.10 173.44 3lks s ASP 38 N 1.15 3.11 -0.14 3.32 1.01 0.16 -4.98 116.67 120.30 3lks s ASP 38 Ca -0.05 -0.73 -0.08 0.00 0.71 0.00 0.00 52.55 52.39 3lks s ASP 38 Cb -0.14 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.55 3lks s ASP 38 CO -0.02 0.15 0.14 -0.76 0.21 0.00 0.00 175.17 174.88 3lks s LEU 39 N -2.02 4.34 -0.07 1.23 1.02 -1.26 0.26 118.68 122.18 3lks s LEU 39 Ca 0.12 0.41 0.05 0.00 0.02 0.00 0.00 54.13 54.73 3lks s LEU 39 Cb -0.10 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 3lks s LEU 39 CO 0.06 0.35 -0.22 -0.76 0.02 0.00 0.00 176.35 175.79 3lks s LEU 40 N -0.67 2.21 -0.21 1.79 1.43 0.01 -0.49 118.68 122.75 3lks s LEU 40 Ca 0.13 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3lks s LEU 40 Cb -0.12 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3lks s LEU 40 CO 0.02 0.23 -0.11 -0.75 0.23 0.00 0.00 176.35 175.97 3lks s LYS 41 N -0.07 3.14 -1.68 1.70 2.20 -0.38 -1.55 119.74 123.09 3lks s LYS 41 Ca -0.06 -0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 3lks s LYS 41 Cb -0.14 -2.81 0.11 0.00 -1.51 0.00 0.00 37.83 33.48 3lks s LYS 41 CO 0.05 -0.23 0.38 0.09 -0.36 0.00 0.00 175.35 175.28 3lks n ASN 42 N 4.70 -0.82 0.00 1.43 3.02 0.81 -1.62 115.26 122.79 3lks n ASN 42 Ca -0.19 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3lks n ASN 42 Cb 0.50 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 3lks n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lks n GLY 43 N -1.78 1.47 3.57 7.41 0.00 -1.26 -5.04 105.19 109.56 3lks n GLY 43 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3lks n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lks s GLU 44 N -0.47 3.34 0.05 1.61 0.41 -0.64 -5.02 118.70 117.98 3lks s GLU 44 Ca 0.00 -0.48 -0.34 0.00 -0.41 0.00 0.00 54.97 53.73 3lks s GLU 44 Cb 0.00 -2.84 -0.13 0.00 -1.78 0.00 0.00 34.13 29.37 3lks s GLU 44 CO 0.00 0.45 1.67 -2.13 -0.49 0.00 0.00 175.26 174.76 3lks n ARG 45 N 2.91 2.04 -2.67 1.61 0.63 -1.26 -1.25 116.66 118.67 3lks n ARG 45 Ca -0.18 0.74 -0.41 0.00 -0.92 0.00 0.00 57.85 57.08 3lks n ARG 45 Cb 0.53 -2.52 -0.05 0.00 0.45 0.00 0.00 32.46 30.87 3lks n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3lks s ILE 46 N 2.06 4.21 -0.06 5.15 1.01 0.36 -4.89 121.20 129.04 3lks s ILE 46 Ca 0.85 1.94 -0.21 0.00 0.00 0.00 0.00 60.65 63.22 3lks s ILE 46 Cb -0.72 -4.24 -0.17 0.00 0.01 0.00 0.00 42.46 37.35 3lks s ILE 46 CO 0.44 0.35 0.86 -0.08 0.00 0.00 0.00 174.94 176.51 3lks h GLU 47 N 5.10 -0.15 -1.75 2.79 4.81 -1.92 -3.39 114.58 120.07 3lks h GLU 47 Ca -0.44 0.01 -0.73 0.00 -0.13 0.00 0.00 59.36 58.07 3lks h GLU 47 Cb 1.21 0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.35 3lks h GLU 47 CO 0.71 0.34 0.99 1.63 -0.73 0.00 0.00 179.01 181.95 3lks n LYS 48 N -4.87 2.71 -2.47 1.92 5.02 -1.26 -4.99 118.16 114.22 3lks n LYS 48 Ca -0.08 -3.40 -0.41 0.00 -2.02 0.00 0.00 58.31 52.40 3lks n LYS 48 Cb 0.28 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 32.99 3lks n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3lks s VAL 49 N -4.88 3.92 0.43 -0.18 1.01 -1.26 -4.92 120.40 114.51 3lks s VAL 49 Ca 0.55 1.54 0.07 0.00 0.00 0.00 0.00 61.98 64.14 3lks s VAL 49 Cb 0.45 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3lks s VAL 49 CO -0.31 0.21 0.36 -1.61 0.00 0.00 0.00 175.10 173.75 3lks s GLU 50 N 0.18 2.46 0.09 2.72 2.02 -0.65 -4.93 118.70 120.59 3lks s GLU 50 Ca 0.53 -1.62 -0.17 0.00 0.02 0.00 0.00 54.97 53.73 3lks s GLU 50 Cb -0.30 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.67 3lks s GLU 50 CO 0.33 -0.22 0.39 -3.38 0.02 0.00 0.00 175.26 172.40 3lks s HIS 51 N -2.52 -0.21 0.79 1.61 -3.43 -1.26 -1.06 115.29 109.21 3lks s HIS 51 Ca 0.46 0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.62 3lks s HIS 51 Cb -0.02 0.22 0.07 0.00 -1.43 0.00 0.00 32.58 31.42 3lks s HIS 51 CO 0.27 -0.64 1.12 -1.54 -2.00 0.00 0.00 174.74 171.95 3lks s SER 52 N -2.45 4.63 0.38 7.38 1.04 -0.21 -5.00 113.70 119.46 3lks s SER 52 Ca -0.01 1.10 -0.25 0.00 0.48 0.00 0.00 55.95 57.28 3lks s SER 52 Cb 0.01 -1.78 -0.09 0.00 0.10 0.00 0.00 66.02 64.25 3lks s SER 52 CO -0.08 -1.86 1.05 -1.81 0.98 0.00 0.00 173.24 171.52 3lks s ASP 53 N -4.19 6.88 0.07 7.02 1.01 -1.26 -4.78 116.67 121.42 3lks s ASP 53 Ca 0.61 2.06 -0.31 0.00 0.71 0.00 0.00 52.55 55.61 3lks s ASP 53 Cb -0.13 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 3lks s ASP 53 CO 0.52 -0.41 1.90 -0.11 0.21 0.00 0.00 175.17 177.28 3lks n LEU 54 N 0.17 4.04 -4.28 1.23 7.94 -1.26 -4.92 117.00 119.91 3lks n LEU 54 Ca 0.04 0.95 -0.19 0.00 -1.11 0.00 0.00 56.01 55.70 3lks n LEU 54 Cb 0.49 -1.52 -0.08 0.00 0.53 0.00 0.00 43.42 42.83 3lks n LEU 54 CO 0.46 0.16 -0.11 -0.55 -1.11 0.00 0.00 177.39 176.24 3lks s SER 55 N 3.52 1.58 0.10 1.96 0.15 -1.24 -5.06 113.70 114.71 3lks s SER 55 Ca 0.86 -1.74 -0.10 0.00 0.70 0.00 0.00 55.95 55.67 3lks s SER 55 Cb -0.48 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 3lks s SER 55 CO 0.40 -1.05 0.23 0.72 1.20 0.00 0.00 173.24 174.75 3lks s PHE 56 N -3.48 0.13 0.80 3.44 -0.12 -1.26 -2.04 117.98 115.44 3lks s PHE 56 Ca 0.41 -0.54 -0.08 0.00 -0.05 0.00 0.00 56.93 56.67 3lks s PHE 56 Cb 0.03 -0.01 0.13 0.00 -0.63 0.00 0.00 43.02 42.54 3lks s PHE 56 CO 0.27 -0.59 1.12 -1.12 -0.05 0.00 0.00 175.22 174.84 3lks s SER 57 N -2.87 4.06 0.53 1.98 0.01 0.22 -4.92 113.70 112.72 3lks s SER 57 Ca 0.06 0.12 0.20 0.00 1.31 0.00 0.00 55.95 57.63 3lks s SER 57 Cb 0.04 -0.46 1.36 0.00 0.21 0.00 0.00 66.02 67.17 3lks s SER 57 CO -0.10 -2.09 2.13 0.11 0.41 0.00 0.00 173.24 173.70 3lks h LYS 58 N -0.94 0.00 -0.42 12.44 1.57 -2.03 0.00 116.57 127.19 3lks h LYS 58 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3lks h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3lks h LYS 58 CO 0.46 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.94 3lks n ASP 59 N -4.42 1.32 0.00 0.86 5.68 -1.26 -4.90 116.55 113.84 3lks n ASP 59 Ca -0.00 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 3lks n ASP 59 Cb 0.20 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3lks n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3lks n TRP 60 N 0.05 0.00 -2.63 2.11 7.02 -0.01 -5.01 117.44 118.97 3lks n TRP 60 Ca 0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.17 3lks n TRP 60 Cb 0.26 -0.24 -0.05 0.00 -2.42 0.00 0.00 31.31 28.86 3lks n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3lks s SER 61 N -3.38 7.06 0.48 -0.99 1.04 -1.26 -4.66 113.70 111.99 3lks s SER 61 Ca 0.00 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.33 3lks s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 3lks s SER 61 CO 0.00 -0.27 0.83 -0.36 0.98 0.00 0.00 173.24 174.42 3lks s PHE 62 N -1.56 3.53 -0.02 5.02 0.08 0.19 -0.61 117.98 124.61 3lks s PHE 62 Ca 0.53 1.02 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 3lks s PHE 62 Cb -0.22 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 39.78 3lks s PHE 62 CO 0.28 -0.29 0.23 1.52 -0.10 0.00 0.00 175.22 176.86 3lks s TYR 63 N -2.67 -0.11 -0.04 0.36 -0.85 -0.87 -2.29 117.35 110.89 3lks s TYR 63 Ca 0.51 0.19 -0.08 0.00 -0.52 0.00 0.00 57.07 57.17 3lks s TYR 63 Cb -0.10 0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.29 3lks s TYR 63 CO 0.40 -0.30 0.18 -0.51 -1.52 0.00 0.00 175.55 173.81 3lks s LEU 64 N -1.05 1.34 -0.20 -3.49 1.43 -0.30 -3.69 118.68 112.73 3lks s LEU 64 Ca -0.11 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3lks s LEU 64 Cb -0.05 0.72 -0.02 0.00 0.03 0.00 0.00 46.19 46.87 3lks s LEU 64 CO 0.02 -0.22 -0.02 -0.22 0.23 0.00 0.00 176.35 176.14 3lks s LEU 65 N -0.63 3.15 -0.09 1.79 2.96 -1.26 -1.44 118.68 123.16 3lks s LEU 65 Ca -0.07 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3lks s LEU 65 Cb -0.04 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3lks s LEU 65 CO 0.01 0.06 0.04 -0.31 -1.32 0.00 0.00 176.35 174.82 3lks s TYR 66 N 1.04 3.27 0.04 5.38 2.02 -0.19 -1.05 117.35 127.86 3lks s TYR 66 Ca 0.01 0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.78 3lks s TYR 66 Cb -0.14 -1.82 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 3lks s TYR 66 CO 0.01 0.54 0.48 1.52 -1.57 0.00 0.00 175.55 176.53 3lks s TYR 67 N -0.93 -0.37 -0.09 2.71 -0.85 -0.22 -0.37 117.35 117.23 3lks s TYR 67 Ca 0.14 0.41 -0.24 0.00 -0.52 0.00 0.00 57.07 56.86 3lks s TYR 67 Cb -0.11 0.29 0.05 0.00 0.38 0.00 0.00 41.96 42.57 3lks s TYR 67 CO 0.03 -0.60 0.56 -0.08 -1.52 0.00 0.00 175.55 173.94 3lks s THR 68 N -2.32 0.01 0.29 -3.49 -1.32 -0.83 -1.64 115.64 106.35 3lks s THR 68 Ca -0.06 -0.11 -0.29 0.00 -1.21 0.00 0.00 61.69 60.01 3lks s THR 68 Cb -0.01 -0.85 -0.10 0.00 -1.51 0.00 0.00 72.50 70.03 3lks s THR 68 CO -0.01 -0.06 1.39 -0.70 -2.21 0.00 0.00 174.62 173.03 3lks s GLU 69 N -0.75 4.29 0.04 7.08 -6.30 -1.26 -0.79 118.70 121.00 3lks s GLU 69 Ca -0.08 2.29 -0.17 0.00 -2.50 0.00 0.00 54.97 54.51 3lks s GLU 69 Cb -0.03 -3.09 0.03 0.00 0.00 0.00 0.00 34.13 31.05 3lks s GLU 69 CO 0.06 -0.34 0.38 -0.59 0.02 0.00 0.00 175.26 174.79 3lks s PHE 70 N -0.51 -0.22 -0.37 5.30 -0.00 -0.68 -4.85 117.98 116.64 3lks s PHE 70 Ca 0.55 0.16 -0.02 0.00 -0.00 0.00 0.00 56.93 57.62 3lks s PHE 70 Cb -0.41 0.19 0.09 0.00 -0.00 0.00 0.00 43.02 42.88 3lks s PHE 70 CO 0.48 -0.55 0.14 0.99 -0.00 0.00 0.00 175.22 176.28 3lks s THR 71 N -2.49 3.14 0.48 -4.49 2.01 -1.26 -0.94 115.64 112.09 3lks s THR 71 Ca -0.05 -1.88 -0.22 0.00 0.31 0.00 0.00 61.69 59.84 3lks s THR 71 Cb -0.01 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 3lks s THR 71 CO -0.03 -0.52 1.19 -2.16 -0.69 0.00 0.00 174.62 172.42 3lks s PRO 72 N 1.16 3.62 0.27 4.92 0.04 -1.26 -4.79 135.00 138.96 3lks s PRO 72 Ca 0.05 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.93 3lks s PRO 72 Cb -0.22 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3lks s PRO 72 CO -0.04 -0.68 0.09 0.95 0.04 0.00 0.00 177.00 177.37 3lks s THR 73 N -1.53 0.65 0.29 1.26 -4.23 -1.26 -1.18 115.64 109.64 3lks s THR 73 Ca 0.66 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 3lks s THR 73 Cb -0.30 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.16 3lks s THR 73 CO 0.36 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 175.96 3lks h GLU 74 N 2.34 0.98 0.00 3.99 4.39 -1.97 -3.36 114.58 120.94 3lks h GLU 74 Ca -0.39 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.19 3lks h GLU 74 Cb 1.25 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3lks h GLU 74 CO 0.62 0.65 -1.50 1.63 -1.16 0.00 0.00 179.01 179.25 3lks n LYS 75 N -4.58 1.22 -1.86 2.33 5.02 -1.26 -4.97 118.16 114.05 3lks n LYS 75 Ca 0.18 -0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3lks n LYS 75 Cb 0.32 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3lks n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3lks s ASP 76 N -3.48 6.49 -0.19 4.39 1.01 -1.26 -5.00 116.67 118.62 3lks s ASP 76 Ca -0.04 2.79 -0.06 0.00 0.71 0.00 0.00 52.55 55.96 3lks s ASP 76 Cb 0.05 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3lks s ASP 76 CO 0.38 -0.85 0.01 -1.61 0.21 0.00 0.00 175.17 173.31 3lks s GLU 77 N 0.23 3.71 0.11 8.23 2.02 -1.26 -4.73 118.70 127.01 3lks s GLU 77 Ca 0.66 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 55.22 3lks s GLU 77 Cb -0.46 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 3lks s GLU 77 CO 0.40 0.09 0.04 0.71 0.02 0.00 0.00 175.26 176.52 3lks s TYR 78 N 0.81 3.04 0.25 1.61 2.02 -1.26 -0.13 117.35 123.69 3lks s TYR 78 Ca 0.01 -0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 3lks s TYR 78 Cb -0.14 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3lks s TYR 78 CO 0.02 0.50 0.59 0.00 -1.57 0.00 0.00 175.55 175.09 3lks s ALA 79 N -1.44 -0.85 -0.06 3.71 0.00 -0.60 -0.45 121.76 122.06 3lks s ALA 79 Ca 0.27 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.84 3lks s ALA 79 Cb -0.11 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3lks s ALA 79 CO 0.20 -0.92 -0.25 0.00 0.00 0.00 0.00 175.76 174.79 3lks s ARG 81 N -0.09 3.32 -0.11 0.00 3.52 0.14 -1.51 118.95 124.23 3lks s ARG 81 Ca -0.06 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.91 3lks s ARG 81 Cb -0.14 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 3lks s ARG 81 CO 0.04 -0.14 -0.21 0.08 -0.81 0.00 0.00 175.30 174.27 3lks s VAL 82 N 1.28 1.86 0.07 7.11 1.01 -0.32 -0.67 120.40 130.74 3lks s VAL 82 Ca 0.03 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.21 3lks s VAL 82 Cb -0.14 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3lks s VAL 82 CO -0.04 0.52 -0.24 0.21 0.00 0.00 0.00 175.10 175.55 3lks s ASN 83 N 0.57 2.84 0.14 3.32 2.47 -0.21 -0.76 114.94 123.32 3lks s ASN 83 Ca -0.14 -0.61 -0.15 0.00 0.42 0.00 0.00 52.86 52.39 3lks s ASN 83 Cb -0.17 -0.22 0.02 0.00 -1.45 0.00 0.00 41.25 39.43 3lks s ASN 83 CO 0.04 0.18 0.39 -2.28 -3.72 0.00 0.00 177.10 171.71 3lks s HIS 84 N -0.90 -0.06 0.36 0.43 5.65 -1.26 -1.30 115.29 118.21 3lks s HIS 84 Ca 0.10 -0.29 0.05 0.00 0.25 0.00 0.00 55.06 55.17 3lks s HIS 84 Cb -0.10 0.21 0.72 0.00 -1.18 0.00 0.00 32.58 32.23 3lks s HIS 84 CO 0.03 -0.74 1.98 -0.24 -0.65 0.00 0.00 174.74 175.12 3lks h VAL 85 N 2.39 1.07 0.00 0.89 3.04 -1.95 -1.54 116.25 120.16 3lks h VAL 85 Ca -0.32 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3lks h VAL 85 Cb 1.25 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3lks h VAL 85 CO 0.46 0.14 0.00 0.35 -1.01 0.00 0.00 177.57 177.51 3lks n THR 86 N -4.46 1.11 -3.98 3.17 -2.24 -1.26 -4.74 114.28 101.88 3lks n THR 86 Ca 0.09 0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.83 3lks n THR 86 Cb 0.16 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.14 3lks n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3lks s LEU 87 N -3.40 3.82 0.22 3.22 1.43 -0.58 -5.00 118.68 118.39 3lks s LEU 87 Ca 0.05 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3lks s LEU 87 Cb 0.08 -1.97 0.18 0.00 0.03 0.00 0.00 46.19 44.51 3lks s LEU 87 CO 0.25 0.16 1.85 0.28 0.23 0.00 0.00 176.35 179.12 3lks h SER 88 N 6.78 1.03 -5.27 2.29 0.02 -1.85 -3.44 113.55 113.10 3lks h SER 88 Ca -0.37 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.38 3lks h SER 88 Cb 1.17 -0.26 -0.13 0.00 0.14 0.00 0.00 62.40 63.32 3lks h SER 88 CO 0.70 0.82 -0.36 0.00 -1.14 0.00 0.00 176.83 176.85 3lks s GLN 89 N -5.88 1.10 0.52 3.45 0.00 -1.26 -5.13 119.66 112.46 3lks s GLN 89 Ca -0.13 -1.18 -0.21 0.00 -0.00 0.00 0.00 55.36 53.85 3lks s GLN 89 Cb 0.16 0.36 -0.08 0.00 0.00 0.00 0.00 33.01 33.45 3lks s GLN 89 CO 0.81 -0.39 0.88 -2.30 0.00 0.00 0.00 175.29 174.29 3lks n PRO 90 N -0.19 0.98 -4.09 9.60 -0.02 -1.26 -4.93 135.00 135.09 3lks n PRO 90 Ca -0.08 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 3lks n PRO 90 Cb 0.63 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 3lks n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3lks s LYS 91 N -2.31 3.84 -0.19 -0.52 2.20 0.06 -4.92 119.74 117.89 3lks s LYS 91 Ca 0.69 -0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.83 3lks s LYS 91 Cb -0.48 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 3lks s LYS 91 CO 0.52 0.20 0.01 0.42 -0.36 0.00 0.00 175.35 176.14 3lks s ILE 92 N 0.55 4.07 -0.15 5.43 1.01 -1.26 -1.18 121.20 129.67 3lks s ILE 92 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3lks s ILE 92 Cb -0.13 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.51 3lks s ILE 92 CO 0.02 0.44 -0.21 -0.69 0.00 0.00 0.00 174.94 174.49 3lks s VAL 93 N 0.87 2.11 0.40 2.92 1.01 -0.57 -4.98 120.40 122.16 3lks s VAL 93 Ca 0.01 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 3lks s VAL 93 Cb -0.14 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 3lks s VAL 93 CO 0.02 0.55 0.84 -0.54 0.00 0.00 0.00 175.10 175.97 3lks s LYS 94 N 0.88 3.99 -0.11 2.72 1.02 -1.26 -0.60 119.74 126.38 3lks s LYS 94 Ca -0.05 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 56.43 3lks s LYS 94 Cb -0.15 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 3lks s LYS 94 CO -0.03 -0.02 1.03 -0.46 -0.92 0.00 0.00 175.35 174.95 3lks s TRP 95 N -2.24 3.46 -0.16 3.18 -0.00 0.40 -4.82 118.94 118.76 3lks s TRP 95 Ca 0.56 1.55 0.01 0.00 -0.00 0.00 0.00 56.10 58.21 3lks s TRP 95 Cb -0.10 -3.22 0.02 0.00 -0.00 0.00 0.00 33.47 30.17 3lks s TRP 95 CO 0.22 -0.35 -0.16 0.34 -0.00 0.00 0.00 176.95 177.00 3lks s ASP 96 N 1.15 2.84 0.26 5.86 -1.08 -1.26 -4.74 116.67 119.69 3lks s ASP 96 Ca 0.49 -0.54 0.22 0.00 -0.52 0.00 0.00 52.55 52.19 3lks s ASP 96 Cb -0.18 -1.29 1.00 0.00 -1.46 0.00 0.00 42.92 40.99 3lks s ASP 96 CO 0.17 -0.03 1.66 -2.11 0.52 0.00 0.00 175.17 175.38 3lks n ARG 97 N 4.71 0.16 -0.75 4.34 1.85 -1.26 -1.25 116.66 124.45 3lks n ARG 97 Ca -0.18 0.49 0.06 0.00 -1.00 0.00 0.00 57.85 57.22 3lks n ARG 97 Cb 0.50 -1.88 0.35 0.00 -1.05 0.00 0.00 32.46 30.38 3lks n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3lks n ASP 98 N -2.19 5.02 0.00 2.89 8.00 -1.26 -4.84 116.55 124.17 3lks n ASP 98 Ca 0.01 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.75 3lks n ASP 98 Cb 0.16 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3lks n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04