#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffc n ILE 1 N 0.00 0.14 -4.64 2.02 5.41 -1.26 -4.90 119.36 116.13 3ffc n ILE 1 Ca 0.00 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.38 3ffc n ILE 1 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.80 3ffc n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3ffc s GLN 2 N -0.07 3.20 -0.02 0.38 -0.21 -1.26 -3.96 119.66 117.72 3ffc s GLN 2 Ca 0.63 -0.60 0.01 0.00 0.02 0.00 0.00 55.36 55.42 3ffc s GLN 2 Cb -0.88 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 30.46 3ffc s GLN 2 CO 0.41 0.39 -0.04 1.03 -2.12 0.00 0.00 175.29 174.96 3ffc s ARG 3 N -0.09 0.51 0.23 2.91 0.52 0.90 -4.93 118.95 119.02 3ffc s ARG 3 Ca -0.00 -0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 54.87 3ffc s ARG 3 Cb -0.13 -0.54 -0.09 0.00 0.52 0.00 0.00 34.95 34.71 3ffc s ARG 3 CO 0.03 0.00 0.80 0.95 0.02 0.00 0.00 175.30 177.11 3ffc s THR 4 N 0.42 4.41 0.37 0.02 -4.23 -1.26 -1.91 115.64 113.45 3ffc s THR 4 Ca -0.05 1.56 -0.27 0.00 -1.18 0.00 0.00 61.69 61.75 3ffc s THR 4 Cb -0.08 -3.99 -0.09 0.00 1.34 0.00 0.00 72.50 69.68 3ffc s THR 4 CO -0.00 0.28 1.29 -2.16 -0.54 0.00 0.00 174.62 173.49 3ffc s PRO 5 N -1.75 4.17 -0.17 3.99 0.04 -1.26 -4.35 135.00 135.66 3ffc s PRO 5 Ca 0.43 2.16 -0.18 0.00 0.04 0.00 0.00 61.00 63.45 3ffc s PRO 5 Cb -0.19 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3ffc s PRO 5 CO 0.23 -0.32 0.49 0.15 0.04 0.00 0.00 177.00 177.59 3ffc s LYS 6 N -2.02 4.25 -0.09 4.56 1.02 0.99 -4.91 119.74 123.54 3ffc s LYS 6 Ca 0.53 0.41 -0.00 0.00 0.02 0.00 0.00 55.97 56.93 3ffc s LYS 6 Cb -0.38 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 3ffc s LYS 6 CO 0.50 -0.02 -0.06 0.42 -0.92 0.00 0.00 175.35 175.27 3ffc s ILE 7 N 1.23 3.76 -0.03 2.17 -1.09 -1.26 -0.81 121.20 125.16 3ffc s ILE 7 Ca 0.24 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3ffc s ILE 7 Cb -0.15 -2.56 0.03 0.00 -1.58 0.00 0.00 42.46 38.19 3ffc s ILE 7 CO 0.10 0.58 -0.00 -1.10 -1.23 0.00 0.00 174.94 173.28 3ffc s GLN 8 N -0.59 0.37 -0.13 2.79 -0.21 0.25 -4.98 119.66 117.17 3ffc s GLN 8 Ca 0.09 0.06 0.02 0.00 0.02 0.00 0.00 55.36 55.56 3ffc s GLN 8 Cb -0.12 -0.55 0.00 0.00 1.00 0.00 0.00 33.01 33.34 3ffc s GLN 8 CO 0.02 -0.14 -0.20 0.08 -2.12 0.00 0.00 175.29 172.93 3ffc s VAL 9 N 1.09 2.32 0.18 1.09 1.01 -1.26 -0.37 120.40 124.47 3ffc s VAL 9 Ca -0.09 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 3ffc s VAL 9 Cb -0.14 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.36 3ffc s VAL 9 CO -0.02 0.54 0.86 -0.72 0.00 0.00 0.00 175.10 175.76 3ffc s TYR 10 N 0.59 -0.19 0.20 5.22 1.13 -0.85 -4.34 117.35 119.10 3ffc s TYR 10 Ca -0.11 -0.15 0.06 0.00 -1.41 0.00 0.00 57.07 55.46 3ffc s TYR 10 Cb -0.16 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 3ffc s TYR 10 CO 0.03 -0.94 0.15 -1.54 -2.51 0.00 0.00 175.55 170.74 3ffc s SER 11 N -2.89 5.46 0.09 -0.18 1.04 -1.26 -0.16 113.70 115.79 3ffc s SER 11 Ca 0.11 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 3ffc s SER 11 Cb -0.03 -1.39 -0.09 0.00 0.10 0.00 0.00 66.02 64.61 3ffc s SER 11 CO 0.02 0.03 1.57 -0.09 0.98 0.00 0.00 173.24 175.74 3ffc h ARG 12 N 2.07 0.36 -6.43 4.02 2.43 -1.41 -3.44 114.38 111.98 3ffc h ARG 12 Ca -0.48 -0.09 -0.63 0.00 -0.81 0.00 0.00 59.98 57.97 3ffc h ARG 12 Cb 1.22 -0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.59 3ffc h ARG 12 CO 0.62 0.49 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.85 3ffc s HIS 13 N -5.23 2.72 -0.16 2.20 3.76 -1.26 -5.04 115.29 112.27 3ffc s HIS 13 Ca -0.14 -0.18 -0.35 0.00 -0.15 0.00 0.00 55.06 54.24 3ffc s HIS 13 Cb 0.07 -1.34 -0.12 0.00 1.11 0.00 0.00 32.58 32.30 3ffc s HIS 13 CO 0.73 0.50 1.91 -2.30 -0.85 0.00 0.00 174.74 174.72 3ffc n PRO 14 N 0.12 1.87 -1.67 8.40 -0.02 -1.26 -4.81 135.00 137.62 3ffc n PRO 14 Ca -0.11 0.67 -0.45 0.00 -2.02 0.00 0.00 63.50 61.59 3ffc n PRO 14 Cb 0.55 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3ffc n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ffc n ALA 15 N 6.97 1.33 -4.01 3.55 0.00 -1.26 -4.97 120.51 122.12 3ffc n ALA 15 Ca 0.26 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.66 3ffc n ALA 15 Cb 0.26 -2.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.99 3ffc n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ffc s GLU 16 N 3.84 2.09 -0.10 0.00 2.12 -1.26 -5.09 118.70 120.29 3ffc s GLU 16 Ca 0.89 -0.97 -0.41 0.00 0.36 0.00 0.00 54.97 54.84 3ffc s GLU 16 Cb -0.57 -2.56 -0.20 0.00 0.26 0.00 0.00 34.13 31.07 3ffc s GLU 16 CO 0.45 -0.47 1.23 0.09 -0.54 0.00 0.00 175.26 176.03 3ffc n ASN 17 N 4.62 0.50 0.00 -1.70 3.02 -1.26 -1.37 115.26 119.07 3ffc n ASN 17 Ca -0.15 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3ffc n ASN 17 Cb 0.45 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3ffc n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ffc n GLY 18 N 2.21 2.80 3.84 7.41 0.00 0.10 -5.00 105.19 116.56 3ffc n GLY 18 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3ffc n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ffc s LYS 19 N -0.36 3.68 0.59 1.61 2.47 -0.47 -4.92 119.74 122.34 3ffc s LYS 19 Ca 0.00 0.00 -0.17 0.00 -1.56 0.00 0.00 55.97 54.24 3ffc s LYS 19 Cb 0.00 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 3ffc s LYS 19 CO 0.00 0.67 1.11 -1.54 0.16 0.00 0.00 175.35 175.75 3ffc s SER 20 N -0.78 5.51 0.27 1.43 1.04 -1.26 -4.24 113.70 115.66 3ffc s SER 20 Ca 0.16 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.55 3ffc s SER 20 Cb -0.13 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.47 3ffc s SER 20 CO 0.06 -1.36 0.62 -3.20 0.98 0.00 0.00 173.24 170.33 3ffc n ASN 21 N -1.77 -1.65 -4.06 7.02 2.85 0.08 -4.99 115.26 112.73 3ffc n ASN 21 Ca 0.11 -2.11 -0.23 0.00 -0.11 0.00 0.00 54.58 52.23 3ffc n ASN 21 Cb 0.52 2.74 -0.16 0.00 1.24 0.00 0.00 39.78 44.12 3ffc n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3ffc s PHE 22 N -3.80 1.35 -0.20 1.20 0.08 -1.26 -1.17 117.98 114.18 3ffc s PHE 22 Ca 0.13 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 3ffc s PHE 22 Cb -0.03 -0.94 -0.05 0.00 -0.57 0.00 0.00 43.02 41.43 3ffc s PHE 22 CO 0.08 -0.15 0.18 -1.17 -0.10 0.00 0.00 175.22 174.06 3ffc s LEU 23 N 0.17 4.19 -0.02 -0.37 2.96 0.67 -0.91 118.68 125.38 3ffc s LEU 23 Ca -0.05 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3ffc s LEU 23 Cb -0.11 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3ffc s LEU 23 CO 0.02 0.13 -0.09 0.20 -1.32 0.00 0.00 176.35 175.29 3ffc s ASN 24 N 0.58 4.49 -0.31 3.68 0.01 0.77 -1.10 114.94 123.06 3ffc s ASN 24 Ca 0.10 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3ffc s ASN 24 Cb -0.12 -1.03 0.09 0.00 0.41 0.00 0.00 41.25 40.60 3ffc s ASN 24 CO 0.01 0.31 0.04 0.00 -1.51 0.00 0.00 177.10 175.95 3ffc s TYR 26 N 1.23 3.26 -0.17 0.00 5.04 0.51 -1.63 117.35 125.58 3ffc s TYR 26 Ca 0.07 0.79 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 3ffc s TYR 26 Cb -0.18 -2.94 -0.00 0.00 0.35 0.00 0.00 41.96 39.19 3ffc s TYR 26 CO -0.13 -0.40 -0.13 0.08 -1.34 0.00 0.00 175.55 173.63 3ffc s VAL 27 N 2.61 2.76 0.25 3.14 1.01 -0.24 -0.58 120.40 129.35 3ffc s VAL 27 Ca 0.27 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3ffc s VAL 27 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3ffc s VAL 27 CO 0.10 0.50 0.44 -0.94 0.00 0.00 0.00 175.10 175.19 3ffc s SER 28 N 1.03 -0.00 -0.85 3.32 1.04 0.01 0.00 113.70 118.24 3ffc s SER 28 Ca -0.01 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3ffc s SER 28 Cb -0.15 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3ffc s SER 28 CO -0.03 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3ffc n GLY 29 N -0.38 0.84 3.93 7.32 0.00 -0.75 -0.01 105.19 116.14 3ffc n GLY 29 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 3ffc n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ffc s PHE 30 N -1.86 3.48 -0.27 1.61 -0.71 -1.16 -4.47 117.98 114.60 3ffc s PHE 30 Ca 0.00 0.33 -0.22 0.00 -1.04 0.00 0.00 56.93 56.00 3ffc s PHE 30 Cb 0.00 -1.85 0.07 0.00 -1.21 0.00 0.00 43.02 40.03 3ffc s PHE 30 CO 0.00 0.33 0.71 -1.58 -1.34 0.00 0.00 175.22 173.34 3ffc s HIS 31 N -1.97 -0.87 1.03 3.49 2.46 -0.80 -0.25 115.29 118.39 3ffc s HIS 31 Ca 0.39 1.98 -0.17 0.00 0.47 0.00 0.00 55.06 57.73 3ffc s HIS 31 Cb -0.11 0.38 0.23 0.00 -0.13 0.00 0.00 32.58 32.95 3ffc s HIS 31 CO 0.30 -0.42 1.27 -1.25 -2.47 0.00 0.00 174.74 172.17 3ffc s PRO 32 N 0.76 0.08 0.37 2.88 0.04 -1.25 -0.07 135.00 137.80 3ffc s PRO 32 Ca -0.03 -0.34 0.12 0.00 0.04 0.00 0.00 61.00 60.79 3ffc s PRO 32 Cb -0.05 -1.77 0.71 0.00 0.04 0.00 0.00 34.50 33.43 3ffc s PRO 32 CO -0.05 -2.80 1.83 0.66 0.04 0.00 0.00 177.00 176.67 3ffc h SER 33 N -1.92 0.04 -2.22 6.66 4.64 -1.97 -3.44 113.55 115.32 3ffc h SER 33 Ca -0.44 -0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 60.26 3ffc h SER 33 Cb 1.25 -0.01 0.06 0.00 -0.31 0.00 0.00 62.40 63.39 3ffc h SER 33 CO 0.36 0.39 0.65 0.47 -0.87 0.00 0.00 176.83 177.83 3ffc n ASP 34 N -4.11 2.60 -3.51 4.97 8.00 -1.26 -4.97 116.55 118.27 3ffc n ASP 34 Ca -0.02 1.11 -0.11 0.00 0.71 0.00 0.00 54.79 56.48 3ffc n ASP 34 Cb 0.40 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 3ffc n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ffc s ILE 35 N 0.52 0.00 -0.04 0.53 2.07 -1.26 -4.62 121.20 118.40 3ffc s ILE 35 Ca 0.77 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 3ffc s ILE 35 Cb -0.74 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.86 3ffc s ILE 35 CO 0.43 0.00 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.69 3ffc s GLU 36 N -2.38 1.08 -0.05 3.50 2.12 -0.23 -4.99 118.70 117.76 3ffc s GLU 36 Ca 0.00 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.11 3ffc s GLU 36 Cb -0.01 -0.99 0.02 0.00 0.26 0.00 0.00 34.13 33.41 3ffc s GLU 36 CO -0.04 0.01 -0.08 0.08 -0.54 0.00 0.00 175.26 174.69 3ffc s VAL 37 N 0.62 0.80 -0.03 3.70 1.01 -1.26 -0.41 120.40 124.83 3ffc s VAL 37 Ca -0.10 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3ffc s VAL 37 Cb -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3ffc s VAL 37 CO 0.01 0.28 -0.09 -1.81 0.00 0.00 0.00 175.10 173.49 3ffc s ASP 38 N 0.69 1.26 -0.01 3.32 -0.00 -0.09 -5.01 116.67 116.82 3ffc s ASP 38 Ca -0.12 -0.20 -0.20 0.00 -0.00 0.00 0.00 52.55 52.03 3ffc s ASP 38 Cb -0.14 -0.40 -0.05 0.00 -0.00 0.00 0.00 42.92 42.33 3ffc s ASP 38 CO 0.02 0.05 0.59 -0.76 -0.00 0.00 0.00 175.17 175.07 3ffc s LEU 39 N 0.33 4.41 -0.13 1.23 1.43 -1.26 -0.20 118.68 124.49 3ffc s LEU 39 Ca -0.06 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 3ffc s LEU 39 Cb -0.10 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3ffc s LEU 39 CO 0.01 0.09 -0.21 -0.76 0.23 0.00 0.00 176.35 175.71 3ffc s LEU 40 N -0.12 2.22 -0.21 1.79 1.02 0.40 -0.81 118.68 122.99 3ffc s LEU 40 Ca 0.31 -0.54 -0.05 0.00 0.02 0.00 0.00 54.13 53.87 3ffc s LEU 40 Cb -0.18 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 3ffc s LEU 40 CO 0.17 0.12 -0.01 -0.75 0.02 0.00 0.00 176.35 175.90 3ffc s LYS 41 N 0.58 3.55 -1.23 1.70 2.20 -0.39 -0.81 119.74 125.34 3ffc s LYS 41 Ca -0.12 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 3ffc s LYS 41 Cb -0.17 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3ffc s LYS 41 CO 0.04 -0.07 0.04 0.09 -0.36 0.00 0.00 175.35 175.09 3ffc n ASN 42 N 4.47 0.47 0.00 1.43 3.02 0.04 -0.54 115.26 124.15 3ffc n ASN 42 Ca -0.17 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3ffc n ASN 42 Cb 0.51 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3ffc n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ffc n GLY 43 N -2.25 2.71 3.74 7.41 0.00 -1.26 -5.00 105.19 110.54 3ffc n GLY 43 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3ffc n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffc s GLU 44 N -0.04 4.32 0.27 1.61 8.01 0.29 -4.97 118.70 128.18 3ffc s GLU 44 Ca 0.00 0.60 -0.30 0.00 0.01 0.00 0.00 54.97 55.28 3ffc s GLU 44 Cb 0.00 -3.39 -0.11 0.00 -4.31 0.00 0.00 34.13 26.31 3ffc s GLU 44 CO 0.00 0.24 1.61 0.50 0.01 0.00 0.00 175.26 177.63 3ffc s ARG 45 N 0.28 4.13 -0.65 1.61 3.52 -1.26 -1.26 118.95 125.33 3ffc s ARG 45 Ca 0.29 2.56 -0.25 0.00 -0.13 0.00 0.00 55.73 58.20 3ffc s ARG 45 Cb -0.17 -3.04 0.05 0.00 -1.56 0.00 0.00 34.95 30.23 3ffc s ARG 45 CO 0.14 -0.65 1.09 0.42 -0.81 0.00 0.00 175.30 175.49 3ffc s ILE 46 N 0.31 4.11 0.53 4.11 1.01 0.01 -4.86 121.20 126.42 3ffc s ILE 46 Ca 0.66 0.20 -0.22 0.00 0.00 0.00 0.00 60.65 61.29 3ffc s ILE 46 Cb -0.48 -4.73 -0.05 0.00 0.01 0.00 0.00 42.46 37.21 3ffc s ILE 46 CO 0.43 -1.48 1.36 -0.70 0.00 0.00 0.00 174.94 174.55 3ffc s GLU 47 N 4.66 3.24 -0.77 2.79 2.12 -1.26 -3.93 118.70 125.56 3ffc s GLU 47 Ca 0.31 2.24 -0.03 0.00 0.36 0.00 0.00 54.97 57.85 3ffc s GLU 47 Cb -0.12 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 3ffc s GLU 47 CO 0.16 -1.11 0.69 1.17 -0.54 0.00 0.00 175.26 175.63 3ffc n LYS 48 N -0.89 -1.56 -4.08 4.30 3.00 -1.26 -5.03 118.16 112.64 3ffc n LYS 48 Ca 0.09 0.93 -0.35 0.00 -0.00 0.00 0.00 58.31 58.98 3ffc n LYS 48 Cb 0.45 -5.02 -0.08 0.00 0.00 0.00 0.00 35.03 30.37 3ffc n LYS 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3ffc s VAL 49 N -3.20 4.89 0.49 3.15 -7.23 -1.25 -4.89 120.40 112.35 3ffc s VAL 49 Ca 0.24 -0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.30 3ffc s VAL 49 Cb -0.03 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 3ffc s VAL 49 CO 0.61 0.56 0.85 -1.61 -0.31 0.00 0.00 175.10 175.20 3ffc s GLU 50 N -0.50 3.69 -0.09 4.82 2.02 -0.56 -4.94 118.70 123.13 3ffc s GLU 50 Ca 0.10 0.50 -0.15 0.00 0.02 0.00 0.00 54.97 55.44 3ffc s GLU 50 Cb -0.12 -2.29 0.03 0.00 0.10 0.00 0.00 34.13 31.86 3ffc s GLU 50 CO 0.02 -0.23 0.38 -3.38 0.02 0.00 0.00 175.26 172.07 3ffc s HIS 51 N -2.69 -0.35 0.59 1.61 -3.43 -1.26 -1.34 115.29 108.42 3ffc s HIS 51 Ca 0.52 0.77 -0.19 0.00 -0.80 0.00 0.00 55.06 55.36 3ffc s HIS 51 Cb -0.10 0.14 -0.03 0.00 -1.43 0.00 0.00 32.58 31.16 3ffc s HIS 51 CO 0.40 -0.30 1.25 -1.54 -2.00 0.00 0.00 174.74 172.55 3ffc s SER 52 N -0.42 5.13 0.43 7.38 1.04 -0.12 -5.00 113.70 122.15 3ffc s SER 52 Ca -0.05 2.49 0.03 0.00 0.48 0.00 0.00 55.95 58.90 3ffc s SER 52 Cb -0.03 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3ffc s SER 52 CO 0.02 -1.64 0.63 -1.81 0.98 0.00 0.00 173.24 171.42 3ffc s ASP 53 N -1.44 5.75 -0.05 7.02 1.11 -1.26 -4.40 116.67 123.41 3ffc s ASP 53 Ca 0.77 0.05 -0.37 0.00 0.18 0.00 0.00 52.55 53.18 3ffc s ASP 53 Cb -0.33 -1.26 -0.15 0.00 1.07 0.00 0.00 42.92 42.24 3ffc s ASP 53 CO 0.37 -0.71 1.59 -0.11 1.18 0.00 0.00 175.17 177.48 3ffc n LEU 54 N -1.99 2.39 -4.26 1.23 7.94 -1.26 -4.88 117.00 116.16 3ffc n LEU 54 Ca 0.03 1.08 -0.19 0.00 -1.11 0.00 0.00 56.01 55.81 3ffc n LEU 54 Cb 0.58 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.22 3ffc n LEU 54 CO 0.45 -0.58 -0.07 -0.55 -1.11 0.00 0.00 177.39 175.54 3ffc s SER 55 N 2.08 1.68 0.17 1.96 0.15 -1.13 -5.02 113.70 113.60 3ffc s SER 55 Ca 0.89 -1.75 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 3ffc s SER 55 Cb -0.91 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 3ffc s SER 55 CO 0.52 -1.11 0.21 0.72 1.20 0.00 0.00 173.24 174.77 3ffc s PHE 56 N -3.33 0.72 0.56 3.44 -0.71 -1.26 -1.10 117.98 116.31 3ffc s PHE 56 Ca 0.40 -1.05 0.05 0.00 -1.04 0.00 0.00 56.93 55.29 3ffc s PHE 56 Cb 0.02 -0.27 0.07 0.00 -1.21 0.00 0.00 43.02 41.62 3ffc s PHE 56 CO 0.28 -0.68 0.78 -1.12 -1.34 0.00 0.00 175.22 173.14 3ffc s SER 57 N -3.05 5.11 0.60 1.98 0.01 -0.15 -4.94 113.70 113.27 3ffc s SER 57 Ca 0.25 -0.47 0.40 0.00 1.31 0.00 0.00 55.95 57.45 3ffc s SER 57 Cb 0.05 -0.25 2.05 0.00 0.21 0.00 0.00 66.02 68.08 3ffc s SER 57 CO 0.05 -1.27 2.21 0.11 0.41 0.00 0.00 173.24 174.75 3ffc h LYS 58 N 0.12 0.00 -0.04 12.44 1.79 -2.03 0.62 116.57 129.47 3ffc h LYS 58 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 3ffc h LYS 58 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3ffc h LYS 58 CO 0.44 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.41 3ffc n ASP 59 N -3.00 1.29 0.00 0.86 5.75 -1.26 -4.93 116.55 115.26 3ffc n ASP 59 Ca -0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3ffc n ASP 59 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3ffc n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3ffc n TRP 60 N 0.02 0.00 -2.43 2.11 7.02 0.21 -5.04 117.44 119.33 3ffc n TRP 60 Ca 0.19 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.29 3ffc n TRP 60 Cb 0.31 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.17 3ffc n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ffc s SER 61 N -3.33 6.81 0.59 -0.99 1.04 -1.26 -4.68 113.70 111.88 3ffc s SER 61 Ca 0.00 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 58.55 3ffc s SER 61 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 3ffc s SER 61 CO 0.00 -0.47 0.97 -0.36 0.98 0.00 0.00 173.24 174.37 3ffc s PHE 62 N -1.44 3.58 0.04 5.02 0.40 0.66 -0.97 117.98 125.27 3ffc s PHE 62 Ca 0.54 1.14 -0.14 0.00 -0.60 0.00 0.00 56.93 57.86 3ffc s PHE 62 Cb -0.28 -2.64 0.02 0.00 0.51 0.00 0.00 43.02 40.63 3ffc s PHE 62 CO 0.35 -0.63 0.32 1.52 0.70 0.00 0.00 175.22 177.48 3ffc s TYR 63 N -3.08 -0.13 0.06 0.36 -0.85 -0.25 -1.82 117.35 111.63 3ffc s TYR 63 Ca 0.53 0.03 -0.06 0.00 -0.52 0.00 0.00 57.07 57.06 3ffc s TYR 63 Cb -0.11 0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 3ffc s TYR 63 CO 0.51 -0.50 0.10 -0.51 -1.52 0.00 0.00 175.55 173.63 3ffc s LEU 64 N -1.99 1.82 -0.14 -3.49 1.43 0.10 -2.82 118.68 113.59 3ffc s LEU 64 Ca -0.06 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3ffc s LEU 64 Cb -0.01 0.66 0.02 0.00 0.03 0.00 0.00 46.19 46.89 3ffc s LEU 64 CO -0.02 -0.60 -0.16 -0.22 0.23 0.00 0.00 176.35 175.58 3ffc s LEU 65 N -2.54 1.78 -0.24 1.79 2.96 -1.26 -1.08 118.68 120.09 3ffc s LEU 65 Ca 0.01 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 3ffc s LEU 65 Cb 0.03 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 3ffc s LEU 65 CO -0.08 -0.02 0.03 -0.31 -1.32 0.00 0.00 176.35 174.64 3ffc s TYR 66 N 1.31 3.04 0.05 5.38 1.51 -0.65 -0.95 117.35 127.05 3ffc s TYR 66 Ca 0.02 -0.68 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 3ffc s TYR 66 Cb -0.13 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 3ffc s TYR 66 CO -0.08 -0.46 -0.08 1.52 -1.11 0.00 0.00 175.55 175.34 3ffc s TYR 67 N 1.55 0.71 -0.01 2.71 1.13 -0.45 0.39 117.35 123.38 3ffc s TYR 67 Ca 0.06 -0.57 -0.11 0.00 -1.41 0.00 0.00 57.07 55.04 3ffc s TYR 67 Cb -0.15 -0.42 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 3ffc s TYR 67 CO 0.01 -0.10 0.22 -0.08 -2.51 0.00 0.00 175.55 173.09 3ffc s THR 68 N -1.77 0.07 0.41 -3.49 -1.32 -0.25 -1.50 115.64 107.78 3ffc s THR 68 Ca -0.06 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 59.63 3ffc s THR 68 Cb -0.07 -0.50 -0.08 0.00 -1.51 0.00 0.00 72.50 70.33 3ffc s THR 68 CO -0.01 -0.30 1.14 -0.70 -2.21 0.00 0.00 174.62 172.55 3ffc s GLU 69 N -1.24 4.04 -0.10 7.08 2.12 -1.26 -0.24 118.70 129.11 3ffc s GLU 69 Ca -0.13 1.75 -0.30 0.00 0.36 0.00 0.00 54.97 56.66 3ffc s GLU 69 Cb -0.06 -2.61 0.11 0.00 0.26 0.00 0.00 34.13 31.83 3ffc s GLU 69 CO 0.03 -0.31 0.90 -0.59 -0.54 0.00 0.00 175.26 174.74 3ffc s PHE 70 N -1.48 -0.43 -0.39 5.30 -0.71 -0.32 -4.83 117.98 115.12 3ffc s PHE 70 Ca 0.58 0.64 -0.05 0.00 -1.04 0.00 0.00 56.93 57.06 3ffc s PHE 70 Cb -0.28 0.46 0.09 0.00 -1.21 0.00 0.00 43.02 42.07 3ffc s PHE 70 CO 0.35 -0.45 0.18 0.99 -1.34 0.00 0.00 175.22 174.96 3ffc s THR 71 N -1.60 3.59 0.32 -4.49 2.01 -1.26 -0.74 115.64 113.46 3ffc s THR 71 Ca -0.02 -1.67 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 3ffc s THR 71 Cb -0.00 -3.27 -0.11 0.00 0.01 0.00 0.00 72.50 69.12 3ffc s THR 71 CO 0.01 -0.50 1.58 -0.81 -0.69 0.00 0.00 174.62 174.21 3ffc n PRO 72 N 4.72 2.74 -4.48 4.92 -0.04 -1.26 -4.76 135.00 136.85 3ffc n PRO 72 Ca -0.07 0.97 -0.23 0.00 -0.04 0.00 0.00 63.50 64.13 3ffc n PRO 72 Cb 0.42 -2.75 -0.11 0.00 -0.04 0.00 0.00 33.50 31.03 3ffc n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ffc s THR 73 N -0.28 1.59 0.21 0.52 -4.23 -1.26 0.02 115.64 112.21 3ffc s THR 73 Ca 0.61 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3ffc s THR 73 Cb -0.48 -2.68 0.20 0.00 1.34 0.00 0.00 72.50 70.88 3ffc s THR 73 CO 0.52 -0.14 1.66 -0.08 -0.54 0.00 0.00 174.62 176.04 3ffc h GLU 74 N 2.12 0.09 0.00 3.99 4.57 -1.97 -3.27 114.58 120.10 3ffc h GLU 74 Ca -0.41 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3ffc h GLU 74 Cb 1.24 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3ffc h GLU 74 CO 0.71 0.06 -0.01 0.36 -1.18 0.00 0.00 179.01 178.95 3ffc n LYS 75 N -5.31 2.36 -2.50 1.92 2.85 -1.26 -4.97 118.16 111.25 3ffc n LYS 75 Ca 0.09 -1.77 -0.43 0.00 -1.05 0.00 0.00 58.31 55.15 3ffc n LYS 75 Cb 0.35 -1.12 -0.02 0.00 -0.65 0.00 0.00 35.03 33.59 3ffc n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3ffc s ASP 76 N -1.50 7.05 -0.43 -5.58 1.01 -1.24 -5.02 116.67 110.96 3ffc s ASP 76 Ca 0.09 1.70 -0.13 0.00 0.71 0.00 0.00 52.55 54.92 3ffc s ASP 76 Cb 0.08 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.51 3ffc s ASP 76 CO 0.01 -0.62 0.32 -1.61 0.21 0.00 0.00 175.17 173.48 3ffc s GLU 77 N 2.61 2.88 0.33 8.23 2.02 -1.26 -4.78 118.70 128.73 3ffc s GLU 77 Ca 0.53 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 54.27 3ffc s GLU 77 Cb -0.22 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.00 3ffc s GLU 77 CO 0.18 -0.90 0.53 0.71 0.02 0.00 0.00 175.26 175.80 3ffc s TYR 78 N 1.60 3.50 0.27 1.61 2.02 -1.26 -0.78 117.35 124.30 3ffc s TYR 78 Ca 0.04 0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.86 3ffc s TYR 78 Cb -0.22 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 3ffc s TYR 78 CO 0.07 0.15 0.71 0.00 -1.57 0.00 0.00 175.55 174.91 3ffc s ALA 79 N -2.28 -1.26 -0.13 3.71 0.00 0.01 -0.76 121.76 121.06 3ffc s ALA 79 Ca 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3ffc s ALA 79 Cb -0.10 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.90 3ffc s ALA 79 CO 0.35 -1.02 -0.06 0.00 0.00 0.00 0.00 175.76 175.03 3ffc s ARG 81 N 1.69 4.29 -0.02 0.00 3.52 0.72 -1.37 118.95 127.79 3ffc s ARG 81 Ca 0.03 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.18 3ffc s ARG 81 Cb -0.14 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3ffc s ARG 81 CO -0.08 0.26 -0.03 0.08 -0.81 0.00 0.00 175.30 174.73 3ffc s VAL 82 N 0.25 0.30 -0.08 7.11 1.01 0.38 -0.92 120.40 128.45 3ffc s VAL 82 Ca 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3ffc s VAL 82 Cb -0.16 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3ffc s VAL 82 CO 0.13 0.13 -0.13 0.21 0.00 0.00 0.00 175.10 175.43 3ffc s ASN 83 N 0.41 2.05 0.14 3.32 3.04 0.45 -1.32 114.94 123.03 3ffc s ASN 83 Ca -0.04 -0.34 -0.09 0.00 0.04 0.00 0.00 52.86 52.43 3ffc s ASN 83 Cb -0.07 -0.92 -0.01 0.00 -1.54 0.00 0.00 41.25 38.71 3ffc s ASN 83 CO -0.01 0.02 0.25 -2.28 -3.04 0.00 0.00 177.10 172.05 3ffc s HIS 84 N 0.83 0.33 0.38 0.43 2.46 -1.26 -1.07 115.29 117.39 3ffc s HIS 84 Ca -0.11 -0.71 0.33 0.00 0.47 0.00 0.00 55.06 55.03 3ffc s HIS 84 Cb -0.15 -0.06 1.62 0.00 -0.13 0.00 0.00 32.58 33.85 3ffc s HIS 84 CO 0.02 -0.66 2.10 -0.24 -2.47 0.00 0.00 174.74 173.49 3ffc h VAL 85 N 2.61 0.30 0.00 0.89 3.04 -1.93 -1.02 116.25 120.13 3ffc h VAL 85 Ca -0.32 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 3ffc h VAL 85 Cb 1.22 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 3ffc h VAL 85 CO 0.51 0.07 0.00 0.35 -1.01 0.00 0.00 177.57 177.48 3ffc n THR 86 N -3.37 0.30 -3.65 3.17 -2.24 -1.26 -4.59 114.28 102.64 3ffc n THR 86 Ca -0.01 0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 3ffc n THR 86 Cb 0.23 -0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 3ffc n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ffc s LEU 87 N -3.14 5.23 0.00 3.22 1.43 -0.39 -4.92 118.68 120.11 3ffc s LEU 87 Ca 0.12 -1.70 0.02 0.00 -1.03 0.00 0.00 54.13 51.54 3ffc s LEU 87 Cb 0.16 -1.94 0.10 0.00 0.03 0.00 0.00 46.19 44.54 3ffc s LEU 87 CO 0.47 -0.56 1.07 -1.54 0.23 0.00 0.00 176.35 176.02 3ffc n SER 88 N 4.83 0.00 -3.70 2.29 3.41 -1.26 -4.54 113.62 114.64 3ffc n SER 88 Ca -0.08 0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 58.89 3ffc n SER 88 Cb 0.42 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 3ffc n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ffc s GLN 89 N -2.99 0.58 0.09 4.33 -1.52 -1.26 -5.13 119.66 113.76 3ffc s GLN 89 Ca 0.01 0.69 -0.34 0.00 -1.95 0.00 0.00 55.36 53.77 3ffc s GLN 89 Cb 0.02 0.28 -0.13 0.00 -0.22 0.00 0.00 33.01 32.95 3ffc s GLN 89 CO 0.04 -0.07 1.68 -2.30 -0.25 0.00 0.00 175.29 174.39 3ffc n PRO 90 N 2.82 2.19 -3.12 2.91 -0.02 -1.26 -4.94 135.00 133.59 3ffc n PRO 90 Ca -0.13 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 3ffc n PRO 90 Cb 0.57 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 3ffc n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ffc s LYS 91 N 1.91 4.39 -0.16 -0.52 2.20 -0.43 -4.86 119.74 122.27 3ffc s LYS 91 Ca 0.83 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 57.36 3ffc s LYS 91 Cb -0.67 -3.31 0.02 0.00 -1.51 0.00 0.00 37.83 32.36 3ffc s LYS 91 CO 0.42 0.45 -0.18 0.42 -0.36 0.00 0.00 175.35 176.10 3ffc s ILE 92 N -0.56 1.87 -0.26 5.43 1.01 -1.26 -0.47 121.20 126.96 3ffc s ILE 92 Ca 0.33 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3ffc s ILE 92 Cb -0.20 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3ffc s ILE 92 CO 0.21 0.51 0.01 -0.69 0.00 0.00 0.00 174.94 174.98 3ffc s VAL 93 N 1.28 3.48 0.30 2.92 1.01 -0.47 -4.93 120.40 123.99 3ffc s VAL 93 Ca 0.03 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3ffc s VAL 93 Cb -0.13 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 3ffc s VAL 93 CO -0.10 0.20 1.23 -0.54 0.00 0.00 0.00 175.10 175.89 3ffc s LYS 94 N 1.44 4.46 0.19 2.72 1.02 -1.26 -1.13 119.74 127.18 3ffc s LYS 94 Ca 0.02 2.05 -0.30 0.00 0.02 0.00 0.00 55.97 57.76 3ffc s LYS 94 Cb -0.16 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 33.93 3ffc s LYS 94 CO -0.01 -0.05 1.40 -0.46 -0.92 0.00 0.00 175.35 175.31 3ffc s TRP 95 N -1.00 3.15 -0.21 3.18 -0.00 0.06 -4.85 118.94 119.28 3ffc s TRP 95 Ca 0.48 1.04 0.01 0.00 -0.00 0.00 0.00 56.10 57.62 3ffc s TRP 95 Cb -0.37 -3.73 0.05 0.00 -0.00 0.00 0.00 33.47 29.43 3ffc s TRP 95 CO 0.47 -2.41 -0.08 0.34 -0.00 0.00 0.00 176.95 175.27 3ffc s ASP 96 N 0.59 3.53 0.31 5.86 3.68 -1.26 -4.76 116.67 124.62 3ffc s ASP 96 Ca 0.61 -0.99 0.07 0.00 2.13 0.00 0.00 52.55 54.37 3ffc s ASP 96 Cb -0.39 -1.17 0.84 0.00 -1.45 0.00 0.00 42.92 40.74 3ffc s ASP 96 CO 0.37 -0.19 1.70 0.03 0.13 0.00 0.00 175.17 177.21 3ffc h ARG 97 N 7.98 0.42 0.00 4.34 3.08 -1.95 -0.62 114.38 127.63 3ffc h ARG 97 Ca -0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3ffc h ARG 97 Cb 1.09 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3ffc h ARG 97 CO 0.44 0.28 0.00 -0.25 -1.07 0.00 0.00 179.97 179.36 3ffc n ASP 98 N -5.01 0.00 0.00 7.04 8.00 -1.26 -4.81 116.55 120.51 3ffc n ASP 98 Ca 0.25 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3ffc n ASP 98 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 3ffc n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04