#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffc h ILE 1 N 0.00 0.64 -3.18 2.02 2.10 -2.05 -3.41 117.51 113.63 3ffc h ILE 1 Ca 0.00 -0.19 -0.67 0.00 1.08 0.00 0.00 64.86 65.08 3ffc h ILE 1 Cb 0.00 0.03 -0.34 0.00 -1.09 0.00 0.00 36.82 35.42 3ffc h ILE 1 CO 0.00 0.10 -0.87 -1.10 -1.08 0.00 0.00 178.15 175.21 3ffc s GLN 2 N -5.93 2.94 -0.04 2.19 -0.21 -1.26 -3.38 119.66 113.97 3ffc s GLN 2 Ca -0.12 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.46 3ffc s GLN 2 Cb 0.23 -2.42 0.01 0.00 1.00 0.00 0.00 33.01 31.84 3ffc s GLN 2 CO 0.78 -0.06 -0.07 1.03 -2.12 0.00 0.00 175.29 174.85 3ffc s ARG 3 N 0.93 0.98 0.27 2.91 0.52 0.14 -4.93 118.95 119.77 3ffc s ARG 3 Ca -0.05 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 3ffc s ARG 3 Cb -0.15 -0.92 -0.09 0.00 0.52 0.00 0.00 34.95 34.31 3ffc s ARG 3 CO -0.04 0.02 1.10 0.99 0.02 0.00 0.00 175.30 177.39 3ffc s THR 4 N 0.54 3.52 0.33 0.02 2.01 -1.26 -1.56 115.64 119.23 3ffc s THR 4 Ca -0.08 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.13 3ffc s THR 4 Cb -0.12 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 3ffc s THR 4 CO 0.01 0.35 1.29 -2.16 -0.69 0.00 0.00 174.62 173.42 3ffc s PRO 5 N -1.32 4.38 -0.15 4.92 0.04 -1.26 -4.32 135.00 137.28 3ffc s PRO 5 Ca 0.45 2.18 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 3ffc s PRO 5 Cb -0.32 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 3ffc s PRO 5 CO 0.40 -0.16 0.47 0.15 0.04 0.00 0.00 177.00 177.91 3ffc s LYS 6 N -1.77 4.29 -0.11 4.56 1.02 0.94 -4.92 119.74 123.75 3ffc s LYS 6 Ca 0.49 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.88 3ffc s LYS 6 Cb -0.39 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.43 3ffc s LYS 6 CO 0.52 0.08 -0.11 0.42 -0.92 0.00 0.00 175.35 175.34 3ffc s ILE 7 N 0.90 3.31 -0.04 2.17 -1.09 -1.26 -1.36 121.20 123.83 3ffc s ILE 7 Ca 0.24 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 3ffc s ILE 7 Cb -0.15 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 3ffc s ILE 7 CO 0.10 0.54 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.17 3ffc s GLN 8 N 0.02 1.02 -0.13 2.79 -0.21 0.22 -4.98 119.66 118.39 3ffc s GLN 8 Ca -0.03 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.14 3ffc s GLN 8 Cb -0.14 -0.95 0.01 0.00 1.00 0.00 0.00 33.01 32.93 3ffc s GLN 8 CO 0.04 0.01 -0.20 0.08 -2.12 0.00 0.00 175.29 173.10 3ffc s VAL 9 N 0.59 1.89 0.26 1.09 1.01 -1.26 -0.20 120.40 123.78 3ffc s VAL 9 Ca -0.09 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 3ffc s VAL 9 Cb -0.12 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.62 3ffc s VAL 9 CO 0.01 0.52 0.85 -0.72 0.00 0.00 0.00 175.10 175.76 3ffc s TYR 10 N 0.82 -0.06 0.21 5.22 1.13 -0.88 -4.35 117.35 119.45 3ffc s TYR 10 Ca -0.08 -0.40 0.07 0.00 -1.41 0.00 0.00 57.07 55.25 3ffc s TYR 10 Cb -0.16 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 3ffc s TYR 10 CO -0.01 -1.17 0.10 -1.54 -2.51 0.00 0.00 175.55 170.42 3ffc s SER 11 N -3.03 5.16 0.04 -0.18 1.04 -1.26 0.18 113.70 115.65 3ffc s SER 11 Ca 0.14 -0.33 -0.24 0.00 0.48 0.00 0.00 55.95 56.00 3ffc s SER 11 Cb -0.04 -1.22 -0.16 0.00 0.10 0.00 0.00 66.02 64.70 3ffc s SER 11 CO 0.07 0.03 1.52 -0.09 0.98 0.00 0.00 173.24 175.75 3ffc h ARG 12 N 2.08 0.05 -6.29 4.02 2.43 -1.30 -3.44 114.38 111.92 3ffc h ARG 12 Ca -0.47 -0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.10 3ffc h ARG 12 Cb 1.22 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 3ffc h ARG 12 CO 0.61 0.27 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.69 3ffc s HIS 13 N -5.27 2.87 0.12 2.20 3.76 -1.26 -5.05 115.29 112.66 3ffc s HIS 13 Ca -0.14 -0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.32 3ffc s HIS 13 Cb 0.04 -1.36 -0.10 0.00 1.11 0.00 0.00 32.58 32.27 3ffc s HIS 13 CO 0.68 0.53 1.77 -2.14 -0.85 0.00 0.00 174.74 174.73 3ffc s PRO 14 N -3.15 4.15 0.12 8.40 0.02 -1.26 -4.82 135.00 138.46 3ffc s PRO 14 Ca 0.29 2.54 -0.32 0.00 0.02 0.00 0.00 61.00 63.52 3ffc s PRO 14 Cb -0.09 -3.52 -0.12 0.00 0.02 0.00 0.00 34.50 30.79 3ffc s PRO 14 CO 0.20 -0.80 1.77 0.00 -0.33 0.00 0.00 177.00 177.83 3ffc n ALA 15 N 5.42 1.98 -3.86 -1.55 0.00 -1.26 -4.98 120.51 116.27 3ffc n ALA 15 Ca 0.17 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.67 3ffc n ALA 15 Cb 0.38 -2.52 -0.16 0.00 0.00 0.00 0.00 19.45 17.15 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 2.22 1.22 -0.11 0.00 2.12 -1.26 -5.10 118.70 117.79 3ffc s GLU 16 Ca 0.81 -0.75 -0.40 0.00 0.36 0.00 0.00 54.97 54.99 3ffc s GLU 16 Cb -0.55 -2.39 -0.18 0.00 0.26 0.00 0.00 34.13 31.27 3ffc s GLU 16 CO 0.38 -0.61 1.36 0.09 -0.54 0.00 0.00 175.26 175.94 3ffc n ASN 17 N 4.83 1.10 0.00 -1.70 3.02 -1.26 -1.11 115.26 120.14 3ffc n ASN 17 Ca -0.11 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 3ffc n ASN 17 Cb 0.45 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 2.70 3.29 3.85 7.41 0.00 0.66 -5.00 105.19 118.10 3ffc n GLY 18 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3ffc n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffc s LYS 19 N -0.59 3.82 0.48 1.61 -0.14 -0.27 -4.92 119.74 119.72 3ffc s LYS 19 Ca 0.00 0.30 -0.24 0.00 -1.36 0.00 0.00 55.97 54.67 3ffc s LYS 19 Cb 0.00 -3.21 -0.07 0.00 -1.68 0.00 0.00 37.83 32.87 3ffc s LYS 19 CO 0.00 0.71 1.33 0.45 -0.76 0.00 0.00 175.35 177.08 3ffc s SER 20 N -1.07 5.81 0.28 2.83 0.15 -1.26 -4.20 113.70 116.24 3ffc s SER 20 Ca 0.22 2.70 -0.08 0.00 0.70 0.00 0.00 55.95 59.49 3ffc s SER 20 Cb -0.16 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3ffc s SER 20 CO 0.11 -1.20 0.52 -3.20 1.20 0.00 0.00 173.24 170.67 3ffc n ASN 21 N -0.47 -1.49 -4.09 5.45 2.85 0.14 -4.99 115.26 112.66 3ffc n ASN 21 Ca 0.07 -2.26 -0.25 0.00 -0.11 0.00 0.00 54.58 52.03 3ffc n ASN 21 Cb 0.44 2.55 -0.16 0.00 1.24 0.00 0.00 39.78 43.85 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 -3.78 1.57 -0.24 1.20 0.08 -1.26 -1.06 117.98 114.48 3ffc s PHE 22 Ca 0.15 -0.48 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 3ffc s PHE 22 Cb -0.03 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 3ffc s PHE 22 CO 0.11 -0.19 0.20 -1.17 -0.10 0.00 0.00 175.22 174.07 3ffc s LEU 23 N 0.22 4.10 -0.00 -0.37 2.96 0.37 -0.72 118.68 125.23 3ffc s LEU 23 Ca -0.07 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3ffc s LEU 23 Cb -0.12 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3ffc s LEU 23 CO 0.03 0.02 0.01 0.20 -1.32 0.00 0.00 176.35 175.28 3ffc s ASN 24 N 1.20 5.19 -0.28 3.68 0.01 0.13 -1.33 114.94 123.54 3ffc s ASN 24 Ca 0.09 0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.28 3ffc s ASN 24 Cb -0.14 -1.37 0.07 0.00 0.41 0.00 0.00 41.25 40.22 3ffc s ASN 24 CO 0.06 0.28 -0.06 0.00 -1.51 0.00 0.00 177.10 175.87 3ffc s TYR 26 N 1.10 3.26 -0.11 0.00 5.04 0.72 -1.17 117.35 126.20 3ffc s TYR 26 Ca -0.03 0.57 0.04 0.00 -2.44 0.00 0.00 57.07 55.20 3ffc s TYR 26 Cb -0.20 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.44 3ffc s TYR 26 CO -0.06 -0.26 -0.23 0.08 -1.34 0.00 0.00 175.55 173.73 3ffc s VAL 27 N 2.23 2.01 0.22 3.14 1.01 -0.39 -0.61 120.40 128.01 3ffc s VAL 27 Ca 0.19 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 3ffc s VAL 27 Cb -0.16 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3ffc s VAL 27 CO 0.09 0.55 0.76 -0.94 0.00 0.00 0.00 175.10 175.56 3ffc s SER 28 N 0.45 -0.30 -0.75 3.32 1.04 -0.46 0.28 113.70 117.28 3ffc s SER 28 Ca -0.16 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3ffc s SER 28 Cb -0.17 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3ffc s SER 28 CO 0.07 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3ffc n GLY 29 N -0.44 0.82 3.94 7.32 0.00 -0.85 -0.04 105.19 115.94 3ffc n GLY 29 Ca -0.07 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.95 3.48 -0.26 1.61 -0.71 -1.19 -4.43 117.98 114.53 3ffc s PHE 30 Ca 0.00 0.24 -0.24 0.00 -1.04 0.00 0.00 56.93 55.89 3ffc s PHE 30 Cb 0.00 -1.77 0.07 0.00 -1.21 0.00 0.00 43.02 40.11 3ffc s PHE 30 CO 0.00 0.42 0.70 -1.58 -1.34 0.00 0.00 175.22 173.42 3ffc s HIS 31 N -1.85 -0.77 1.05 3.49 2.46 -0.60 -0.46 115.29 118.61 3ffc s HIS 31 Ca 0.37 1.87 -0.17 0.00 0.47 0.00 0.00 55.06 57.61 3ffc s HIS 31 Cb -0.11 0.27 0.22 0.00 -0.13 0.00 0.00 32.58 32.84 3ffc s HIS 31 CO 0.29 -0.37 1.19 -1.25 -2.47 0.00 0.00 174.74 172.13 3ffc s PRO 32 N 0.41 -0.05 0.37 2.88 0.04 -1.22 0.23 135.00 137.66 3ffc s PRO 32 Ca -0.00 -0.10 0.07 0.00 0.04 0.00 0.00 61.00 61.01 3ffc s PRO 32 Cb -0.05 -1.74 0.73 0.00 0.04 0.00 0.00 34.50 33.48 3ffc s PRO 32 CO 0.00 -2.93 1.93 0.66 0.04 0.00 0.00 177.00 176.70 3ffc h SER 33 N -2.02 0.38 -2.70 6.66 4.64 -1.96 -3.45 113.55 115.11 3ffc h SER 33 Ca -0.46 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.24 3ffc h SER 33 Cb 1.28 -0.10 0.07 0.00 -0.31 0.00 0.00 62.40 63.35 3ffc h SER 33 CO 0.42 0.45 0.80 0.47 -0.87 0.00 0.00 176.83 178.10 3ffc n ASP 34 N -4.32 3.34 -3.53 4.97 8.00 -1.26 -4.96 116.55 118.79 3ffc n ASP 34 Ca 0.01 1.11 -0.13 0.00 0.71 0.00 0.00 54.79 56.49 3ffc n ASP 34 Cb 0.22 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 39.78 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 0.46 0.00 -0.08 0.53 2.07 -1.26 -4.58 121.20 118.34 3ffc s ILE 35 Ca 0.71 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.97 3ffc s ILE 35 Cb -0.60 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.01 3ffc s ILE 35 CO 0.43 0.00 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.63 3ffc s GLU 36 N -1.66 1.77 -0.06 3.50 2.12 -0.43 -4.99 118.70 118.95 3ffc s GLU 36 Ca -0.04 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.90 3ffc s GLU 36 Cb -0.00 -1.50 0.01 0.00 0.26 0.00 0.00 34.13 32.89 3ffc s GLU 36 CO 0.02 -0.01 -0.12 0.08 -0.54 0.00 0.00 175.26 174.68 3ffc s VAL 37 N 0.82 1.12 -0.02 3.70 1.01 -1.26 -0.69 120.40 125.08 3ffc s VAL 37 Ca -0.11 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3ffc s VAL 37 Cb -0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 3ffc s VAL 37 CO 0.02 0.35 -0.10 -1.81 0.00 0.00 0.00 175.10 173.56 3ffc s ASP 38 N 0.57 1.27 0.06 3.32 1.01 0.17 -5.00 116.67 118.07 3ffc s ASP 38 Ca -0.12 -0.20 -0.22 0.00 0.71 0.00 0.00 52.55 52.72 3ffc s ASP 38 Cb -0.15 -0.27 -0.06 0.00 1.01 0.00 0.00 42.92 43.45 3ffc s ASP 38 CO 0.03 0.09 0.67 -0.76 0.21 0.00 0.00 175.17 175.41 3ffc s LEU 39 N 0.02 4.49 -0.10 1.23 1.43 -1.26 -0.15 118.68 124.35 3ffc s LEU 39 Ca -0.00 1.35 0.04 0.00 -1.03 0.00 0.00 54.13 54.49 3ffc s LEU 39 Cb -0.07 -3.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 3ffc s LEU 39 CO 0.00 0.15 -0.24 -0.76 0.23 0.00 0.00 176.35 175.73 3ffc s LEU 40 N -0.59 2.08 -0.21 1.79 1.02 0.33 -1.03 118.68 122.07 3ffc s LEU 40 Ca 0.33 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 53.89 3ffc s LEU 40 Cb -0.20 -1.40 -0.01 0.00 0.02 0.00 0.00 46.19 44.60 3ffc s LEU 40 CO 0.21 0.17 -0.04 -0.75 0.02 0.00 0.00 176.35 175.96 3ffc s LYS 41 N 0.29 3.43 -1.60 1.70 2.20 -0.02 -0.79 119.74 124.94 3ffc s LYS 41 Ca -0.17 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 54.79 3ffc s LYS 41 Cb -0.18 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3ffc s LYS 41 CO 0.08 -0.15 0.15 0.09 -0.36 0.00 0.00 175.35 175.17 3ffc n ASN 42 N 4.66 0.30 0.00 1.43 3.02 0.14 -0.68 115.26 124.12 3ffc n ASN 42 Ca -0.18 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3ffc n ASN 42 Cb 0.51 -1.75 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 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 -2.26 2.80 3.78 7.41 0.00 -1.26 -4.99 105.19 110.66 3ffc n GLY 43 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.05 4.18 0.20 1.61 8.01 0.14 -4.99 118.70 127.80 3ffc s GLU 44 Ca 0.00 0.50 -0.31 0.00 0.01 0.00 0.00 54.97 55.17 3ffc s GLU 44 Cb 0.00 -3.33 -0.10 0.00 -4.31 0.00 0.00 34.13 26.39 3ffc s GLU 44 CO 0.00 0.43 1.57 0.50 0.01 0.00 0.00 175.26 177.76 3ffc s ARG 45 N -0.28 4.20 -0.55 1.61 3.52 -1.26 -0.84 118.95 125.35 3ffc s ARG 45 Ca 0.26 2.41 -0.27 0.00 -0.13 0.00 0.00 55.73 58.00 3ffc s ARG 45 Cb -0.17 -3.12 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 3ffc s ARG 45 CO 0.13 -0.59 1.10 0.42 -0.81 0.00 0.00 175.30 175.55 3ffc s ILE 46 N 0.76 4.17 0.53 4.11 1.01 -0.20 -4.86 121.20 126.73 3ffc s ILE 46 Ca 0.68 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 61.89 3ffc s ILE 46 Cb -0.45 -4.64 -0.06 0.00 0.01 0.00 0.00 42.46 37.32 3ffc s ILE 46 CO 0.36 -1.20 1.10 -1.83 0.00 0.00 0.00 174.94 173.36 3ffc s GLU 47 N 4.53 3.46 -0.84 2.79 -1.05 -1.26 -4.05 118.70 122.29 3ffc s GLU 47 Ca 0.40 1.51 -0.02 0.00 -0.15 0.00 0.00 54.97 56.70 3ffc s GLU 47 Cb -0.09 -2.03 -0.03 0.00 -0.44 0.00 0.00 34.13 31.54 3ffc s GLU 47 CO 0.24 -0.74 0.76 1.63 0.95 0.00 0.00 175.26 178.11 3ffc n LYS 48 N -1.28 -1.64 -4.02 -4.83 5.02 -1.26 -5.04 118.16 105.11 3ffc n LYS 48 Ca 0.11 1.22 -0.35 0.00 -2.02 0.00 0.00 58.31 57.27 3ffc n LYS 48 Cb 0.52 -5.67 -0.09 0.00 -0.02 0.00 0.00 35.03 29.77 3ffc n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ffc s VAL 49 N -3.15 4.92 0.36 -0.18 1.01 -1.26 -4.89 120.40 117.22 3ffc s VAL 49 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 3ffc s VAL 49 Cb -0.02 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 3ffc s VAL 49 CO 0.72 0.52 0.82 -0.70 0.00 0.00 0.00 175.10 176.46 3ffc s GLU 50 N -0.19 4.09 -0.01 2.72 2.56 -0.65 -4.95 118.70 122.29 3ffc s GLU 50 Ca 0.08 0.84 -0.10 0.00 0.00 0.00 0.00 54.97 55.80 3ffc s GLU 50 Cb -0.12 -2.34 0.01 0.00 2.00 0.00 0.00 34.13 33.68 3ffc s GLU 50 CO 0.01 0.09 0.19 -3.38 -0.56 0.00 0.00 175.26 171.61 3ffc s HIS 51 N -2.05 -0.03 0.50 5.30 -3.43 -1.26 -1.22 115.29 113.10 3ffc s HIS 51 Ca 0.57 0.01 -0.21 0.00 -0.80 0.00 0.00 55.06 54.63 3ffc s HIS 51 Cb -0.10 -0.00 -0.06 0.00 -1.43 0.00 0.00 32.58 30.99 3ffc s HIS 51 CO 0.16 -0.31 1.17 -1.54 -2.00 0.00 0.00 174.74 172.21 3ffc s SER 52 N -1.31 5.88 0.39 7.38 1.04 0.15 -4.99 113.70 122.24 3ffc s SER 52 Ca -0.14 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.59 3ffc s SER 52 Cb -0.07 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 3ffc s SER 52 CO 0.02 -1.12 0.61 -1.81 0.98 0.00 0.00 173.24 171.93 3ffc s ASP 53 N -1.50 6.12 -0.12 7.02 1.11 -1.26 -4.31 116.67 123.73 3ffc s ASP 53 Ca 0.68 0.41 -0.40 0.00 0.18 0.00 0.00 52.55 53.42 3ffc s ASP 53 Cb -0.28 -1.85 -0.18 0.00 1.07 0.00 0.00 42.92 41.69 3ffc s ASP 53 CO 0.33 -0.47 1.38 -0.11 1.18 0.00 0.00 175.17 177.48 3ffc n LEU 54 N -1.92 1.19 -4.20 1.23 7.94 -1.26 -4.89 117.00 115.08 3ffc n LEU 54 Ca -0.02 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 55.84 3ffc n LEU 54 Cb 0.57 -1.04 -0.07 0.00 0.53 0.00 0.00 43.42 43.41 3ffc n LEU 54 CO 0.48 -1.16 -0.02 -0.55 -1.11 0.00 0.00 177.39 175.03 3ffc s SER 55 N 1.39 1.29 0.15 1.96 0.15 -1.13 -5.02 113.70 112.50 3ffc s SER 55 Ca 0.93 -1.63 -0.05 0.00 0.70 0.00 0.00 55.95 55.90 3ffc s SER 55 Cb -1.18 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 3ffc s SER 55 CO 0.60 -1.14 0.18 0.72 1.20 0.00 0.00 173.24 174.80 3ffc s PHE 56 N -3.34 0.65 0.65 3.44 -0.71 -1.26 -0.39 117.98 117.02 3ffc s PHE 56 Ca 0.37 -1.01 0.01 0.00 -1.04 0.00 0.00 56.93 55.26 3ffc s PHE 56 Cb 0.02 -0.27 0.10 0.00 -1.21 0.00 0.00 43.02 41.65 3ffc s PHE 56 CO 0.24 -0.63 0.90 -1.12 -1.34 0.00 0.00 175.22 173.27 3ffc s SER 57 N -3.02 4.71 0.37 1.98 0.01 -0.14 -4.93 113.70 112.68 3ffc s SER 57 Ca 0.22 -0.33 0.27 0.00 1.31 0.00 0.00 55.95 57.41 3ffc s SER 57 Cb 0.05 -0.21 1.30 0.00 0.21 0.00 0.00 66.02 67.37 3ffc s SER 57 CO 0.02 -1.59 1.81 0.11 0.41 0.00 0.00 173.24 173.99 3ffc h LYS 58 N -0.26 0.00 -0.04 12.44 1.57 -2.03 -0.06 116.57 128.19 3ffc h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3ffc h LYS 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3ffc h LYS 58 CO 0.44 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.92 3ffc n ASP 59 N -2.45 1.81 0.00 0.86 5.75 -1.26 -4.95 116.55 116.31 3ffc n ASP 59 Ca -0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3ffc n ASP 59 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 0.42 0.00 -2.54 2.11 7.02 -0.04 -5.03 117.44 119.38 3ffc n TRP 60 Ca 0.18 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.26 3ffc n TRP 60 Cb 0.40 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.24 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 -3.23 7.25 0.64 -0.99 1.04 -1.26 -4.71 113.70 112.44 3ffc s SER 61 Ca 0.00 2.17 -0.11 0.00 0.48 0.00 0.00 55.95 58.50 3ffc s SER 61 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 3ffc s SER 61 CO 0.00 -0.15 1.04 -0.36 0.98 0.00 0.00 173.24 174.75 3ffc s PHE 62 N -1.25 3.51 0.03 5.02 0.40 0.39 -0.96 117.98 125.11 3ffc s PHE 62 Ca 0.46 1.17 -0.12 0.00 -0.60 0.00 0.00 56.93 57.83 3ffc s PHE 62 Cb -0.29 -2.82 0.01 0.00 0.51 0.00 0.00 43.02 40.43 3ffc s PHE 62 CO 0.37 -0.84 0.26 1.52 0.70 0.00 0.00 175.22 177.23 3ffc s TYR 63 N -3.22 -0.07 0.04 0.36 -0.85 0.47 -2.00 117.35 112.09 3ffc s TYR 63 Ca 0.56 -0.05 -0.01 0.00 -0.52 0.00 0.00 57.07 57.05 3ffc s TYR 63 Cb -0.11 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 3ffc s TYR 63 CO 0.53 -0.45 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.59 3ffc s LEU 64 N -1.88 2.34 -0.15 -3.49 1.43 0.14 -2.85 118.68 114.22 3ffc s LEU 64 Ca -0.07 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3ffc s LEU 64 Cb -0.02 0.24 0.03 0.00 0.03 0.00 0.00 46.19 46.46 3ffc s LEU 64 CO -0.02 -0.53 -0.11 -0.22 0.23 0.00 0.00 176.35 175.70 3ffc s LEU 65 N -2.51 1.72 -0.25 1.79 2.96 -1.26 -1.26 118.68 119.87 3ffc s LEU 65 Ca 0.01 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 3ffc s LEU 65 Cb 0.03 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 3ffc s LEU 65 CO -0.07 -0.10 0.07 -0.31 -1.32 0.00 0.00 176.35 174.62 3ffc s TYR 66 N 1.52 3.09 0.10 5.38 1.51 -0.32 -0.68 117.35 127.95 3ffc s TYR 66 Ca 0.03 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3ffc s TYR 66 Cb -0.14 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 3ffc s TYR 66 CO -0.10 -0.36 -0.10 1.52 -1.11 0.00 0.00 175.55 175.40 3ffc s TYR 67 N 1.62 1.08 -0.01 2.71 1.13 -0.36 0.36 117.35 123.87 3ffc s TYR 67 Ca 0.06 -0.64 -0.11 0.00 -1.41 0.00 0.00 57.07 54.97 3ffc s TYR 67 Cb -0.15 -0.59 0.01 0.00 -1.10 0.00 0.00 41.96 40.13 3ffc s TYR 67 CO 0.04 0.01 0.24 -0.08 -2.51 0.00 0.00 175.55 173.24 3ffc s THR 68 N -2.36 0.06 0.32 -3.49 -1.32 -0.44 -1.63 115.64 106.78 3ffc s THR 68 Ca 0.05 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.72 3ffc s THR 68 Cb -0.03 -0.52 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 3ffc s THR 68 CO 0.00 -0.29 1.31 -0.70 -2.21 0.00 0.00 174.62 172.73 3ffc s GLU 69 N -1.24 4.36 -0.08 7.08 2.12 -1.26 -0.48 118.70 129.21 3ffc s GLU 69 Ca -0.13 2.20 -0.30 0.00 0.36 0.00 0.00 54.97 57.10 3ffc s GLU 69 Cb -0.06 -3.08 0.09 0.00 0.26 0.00 0.00 34.13 31.34 3ffc s GLU 69 CO 0.03 -0.19 0.80 -0.59 -0.54 0.00 0.00 175.26 174.77 3ffc s PHE 70 N -1.06 -0.54 -0.35 5.30 -0.71 -0.22 -4.85 117.98 115.55 3ffc s PHE 70 Ca 0.49 0.88 -0.06 0.00 -1.04 0.00 0.00 56.93 57.21 3ffc s PHE 70 Cb -0.39 0.44 0.06 0.00 -1.21 0.00 0.00 43.02 41.91 3ffc s PHE 70 CO 0.52 -0.52 0.12 0.99 -1.34 0.00 0.00 175.22 174.99 3ffc s THR 71 N -1.34 3.66 0.29 -4.49 2.01 -1.26 -0.69 115.64 113.82 3ffc s THR 71 Ca -0.07 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.32 3ffc s THR 71 Cb -0.00 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 3ffc s THR 71 CO 0.05 -0.28 1.35 -2.16 -0.69 0.00 0.00 174.62 172.90 3ffc s PRO 72 N 1.35 4.33 0.32 4.92 0.04 -1.26 -4.80 135.00 139.89 3ffc s PRO 72 Ca -0.00 2.23 0.05 0.00 0.04 0.00 0.00 61.00 63.32 3ffc s PRO 72 Cb -0.20 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 3ffc s PRO 72 CO 0.01 -0.27 0.01 0.95 0.04 0.00 0.00 177.00 177.74 3ffc s THR 73 N -0.63 1.43 0.22 1.26 -4.23 -1.26 -0.25 115.64 112.18 3ffc s THR 73 Ca 0.53 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 3ffc s THR 73 Cb -0.40 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 70.97 3ffc s THR 73 CO 0.48 -0.11 1.65 -0.08 -0.54 0.00 0.00 174.62 176.02 3ffc h GLU 74 N 2.14 0.08 0.00 3.99 4.81 -1.97 -3.26 114.58 120.38 3ffc h GLU 74 Ca -0.41 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3ffc h GLU 74 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3ffc h GLU 74 CO 0.70 0.05 -0.01 0.36 -0.73 0.00 0.00 179.01 179.38 3ffc n LYS 75 N -5.33 2.30 -2.35 1.92 2.85 -1.26 -4.98 118.16 111.32 3ffc n LYS 75 Ca 0.09 -1.49 -0.42 0.00 -1.05 0.00 0.00 58.31 55.44 3ffc n LYS 75 Cb 0.37 -0.99 -0.03 0.00 -0.65 0.00 0.00 35.03 33.73 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 -1.11 6.96 -0.37 -5.58 1.01 -1.23 -5.01 116.67 111.34 3ffc s ASP 76 Ca 0.04 1.96 -0.06 0.00 0.71 0.00 0.00 52.55 55.20 3ffc s ASP 76 Cb 0.04 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.47 3ffc s ASP 76 CO 0.00 -0.64 0.15 -1.61 0.21 0.00 0.00 175.17 173.29 3ffc s GLU 77 N 2.20 2.51 0.29 8.23 2.02 -1.26 -4.77 118.70 127.91 3ffc s GLU 77 Ca 0.60 -1.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 3ffc s GLU 77 Cb -0.28 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 3ffc s GLU 77 CO 0.24 -0.80 0.51 0.71 0.02 0.00 0.00 175.26 175.94 3ffc s TYR 78 N 1.36 3.49 0.25 1.61 2.02 -1.26 -0.69 117.35 124.12 3ffc s TYR 78 Ca 0.01 0.45 -0.20 0.00 -0.37 0.00 0.00 57.07 56.96 3ffc s TYR 78 Cb -0.21 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3ffc s TYR 78 CO 0.01 0.21 0.65 0.00 -1.57 0.00 0.00 175.55 174.85 3ffc s ALA 79 N -2.11 -1.11 -0.15 3.71 0.00 0.03 -0.70 121.76 121.43 3ffc s ALA 79 Ca 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3ffc s ALA 79 Cb -0.10 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.93 3ffc s ALA 79 CO 0.32 -0.95 -0.11 0.00 0.00 0.00 0.00 175.76 175.02 3ffc s ARG 81 N 1.55 4.24 -0.05 0.00 3.52 0.79 -1.28 118.95 127.72 3ffc s ARG 81 Ca 0.04 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.73 3ffc s ARG 81 Cb -0.13 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3ffc s ARG 81 CO -0.10 0.25 -0.09 0.08 -0.81 0.00 0.00 175.30 174.63 3ffc s VAL 82 N 0.44 0.90 -0.07 7.11 1.01 0.39 -0.65 120.40 129.53 3ffc s VAL 82 Ca 0.16 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3ffc s VAL 82 Cb -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3ffc s VAL 82 CO 0.03 0.30 -0.18 0.21 0.00 0.00 0.00 175.10 175.46 3ffc s ASN 83 N 0.69 2.40 0.12 3.32 3.04 0.14 -0.86 114.94 123.77 3ffc s ASN 83 Ca -0.12 -0.41 -0.07 0.00 0.04 0.00 0.00 52.86 52.30 3ffc s ASN 83 Cb -0.15 -0.91 -0.01 0.00 -1.54 0.00 0.00 41.25 38.64 3ffc s ASN 83 CO 0.02 0.13 0.18 -2.28 -3.04 0.00 0.00 177.10 172.11 3ffc s HIS 84 N 0.27 0.37 0.51 0.43 5.65 -1.26 -1.32 115.29 119.95 3ffc s HIS 84 Ca -0.11 -0.79 0.24 0.00 0.25 0.00 0.00 55.06 54.65 3ffc s HIS 84 Cb -0.15 -0.15 1.49 0.00 -1.18 0.00 0.00 32.58 32.59 3ffc s HIS 84 CO 0.05 -0.58 2.15 -0.24 -0.65 0.00 0.00 174.74 175.46 3ffc h VAL 85 N 2.74 0.73 0.00 0.89 3.04 -1.93 -0.42 116.25 121.30 3ffc h VAL 85 Ca -0.33 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3ffc h VAL 85 Cb 1.20 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 3ffc h VAL 85 CO 0.55 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 177.52 3ffc n THR 86 N -4.02 0.25 -3.66 3.17 -2.24 -1.26 -4.61 114.28 101.90 3ffc n THR 86 Ca -0.03 0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 3ffc n THR 86 Cb 0.15 -0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 67.65 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 -3.17 4.65 0.64 3.22 1.43 -0.17 -4.92 118.68 120.36 3ffc s LEU 87 Ca 0.12 -1.15 0.31 0.00 -1.03 0.00 0.00 54.13 52.38 3ffc s LEU 87 Cb 0.17 -1.96 1.67 0.00 0.03 0.00 0.00 46.19 46.10 3ffc s LEU 87 CO 0.49 -0.39 1.94 0.28 0.23 0.00 0.00 176.35 178.89 3ffc h SER 88 N 8.35 0.00 -5.00 2.29 0.02 -1.82 -3.42 113.55 113.97 3ffc h SER 88 Ca -0.24 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3ffc h SER 88 Cb 1.09 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.46 3ffc h SER 88 CO 0.66 0.00 0.14 0.00 -1.14 0.00 0.00 176.83 176.49 3ffc s GLN 89 N -4.04 1.09 0.08 3.45 -2.07 -1.26 -5.13 119.66 111.78 3ffc s GLN 89 Ca -0.03 -0.03 -0.34 0.00 -1.82 0.00 0.00 55.36 53.13 3ffc s GLN 89 Cb 0.09 0.51 -0.13 0.00 -1.09 0.00 0.00 33.01 32.38 3ffc s GLN 89 CO 0.28 -0.39 1.65 -2.30 -1.32 0.00 0.00 175.29 173.22 3ffc n PRO 90 N 0.52 2.09 -3.12 9.60 -0.02 -1.26 -4.93 135.00 137.87 3ffc n PRO 90 Ca -0.18 0.76 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 3ffc n PRO 90 Cb 0.59 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.83 4.39 -0.15 -0.52 2.47 -0.04 -4.88 119.74 122.84 3ffc s LYS 91 Ca 0.83 0.85 0.01 0.00 -1.56 0.00 0.00 55.97 56.10 3ffc s LYS 91 Cb -0.70 -3.36 0.02 0.00 -1.46 0.00 0.00 37.83 32.32 3ffc s LYS 91 CO 0.43 0.30 -0.17 0.42 0.16 0.00 0.00 175.35 176.49 3ffc s ILE 92 N -0.02 1.76 -0.26 5.43 1.01 -1.26 -0.46 121.20 127.40 3ffc s ILE 92 Ca 0.34 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3ffc s ILE 92 Cb -0.19 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.69 3ffc s ILE 92 CO 0.19 0.49 0.00 -0.69 0.00 0.00 0.00 174.94 174.93 3ffc s VAL 93 N 1.24 3.45 0.28 2.92 1.01 -0.40 -4.92 120.40 123.97 3ffc s VAL 93 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3ffc s VAL 93 Cb -0.14 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 3ffc s VAL 93 CO -0.08 0.19 1.42 -0.54 0.00 0.00 0.00 175.10 176.09 3ffc s LYS 94 N 1.43 4.27 0.22 2.72 3.01 -1.26 -1.03 119.74 129.10 3ffc s LYS 94 Ca 0.02 2.31 -0.30 0.00 -1.01 0.00 0.00 55.97 56.99 3ffc s LYS 94 Cb -0.16 -3.09 -0.09 0.00 -1.01 0.00 0.00 37.83 33.47 3ffc s LYS 94 CO -0.01 -0.39 1.35 -0.46 0.51 0.00 0.00 175.35 176.36 3ffc s TRP 95 N -0.32 3.17 -0.16 3.18 -0.00 0.12 -4.86 118.94 120.06 3ffc s TRP 95 Ca 0.57 1.16 -0.01 0.00 -0.00 0.00 0.00 56.10 57.82 3ffc s TRP 95 Cb -0.42 -3.68 0.04 0.00 -0.00 0.00 0.00 33.47 29.42 3ffc s TRP 95 CO 0.47 -2.15 -0.03 0.34 -0.00 0.00 0.00 176.95 175.58 3ffc s ASP 96 N 0.32 2.75 0.37 5.86 3.68 -1.26 -4.76 116.67 123.63 3ffc s ASP 96 Ca 0.57 -0.65 0.11 0.00 2.13 0.00 0.00 52.55 54.71 3ffc s ASP 96 Cb -0.38 -0.80 0.89 0.00 -1.45 0.00 0.00 42.92 41.18 3ffc s ASP 96 CO 0.40 -0.21 1.86 0.03 0.13 0.00 0.00 175.17 177.38 3ffc h ARG 97 N 8.16 0.59 0.00 4.34 3.08 -1.95 -1.21 114.38 127.40 3ffc h ARG 97 Ca -0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3ffc h ARG 97 Cb 1.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3ffc h ARG 97 CO 0.37 0.39 0.00 -0.25 -1.07 0.00 0.00 179.97 179.41 3ffc n ASP 98 N -4.56 0.00 0.00 7.04 8.00 -1.26 -4.81 116.55 120.96 3ffc n ASP 98 Ca 0.18 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3ffc n ASP 98 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3ffc n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04