#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a83 s ILE 1 N 0.00 3.89 0.15 1.12 -1.09 -1.26 -5.04 121.20 118.97 2a83 s ILE 1 Ca 0.00 1.73 0.10 0.00 -2.23 0.00 0.00 60.65 60.25 2a83 s ILE 1 Cb 0.00 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2a83 s ILE 1 CO 0.00 0.34 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.72 2a83 s GLN 2 N -0.71 1.34 -0.06 2.79 -0.21 -1.26 -4.77 119.66 116.77 2a83 s GLN 2 Ca 0.46 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 54.49 2a83 s GLN 2 Cb -0.29 -1.63 0.02 0.00 1.00 0.00 0.00 33.01 32.11 2a83 s GLN 2 CO 0.35 0.36 -0.08 1.03 -2.12 0.00 0.00 175.29 174.84 2a83 s ARG 3 N -2.37 1.25 0.32 2.91 0.52 0.11 -4.93 118.95 116.77 2a83 s ARG 3 Ca 0.15 -0.24 -0.27 0.00 -0.52 0.00 0.00 55.73 54.85 2a83 s ARG 3 Cb -0.08 -1.15 -0.10 0.00 0.52 0.00 0.00 34.95 34.14 2a83 s ARG 3 CO 0.07 -0.06 0.95 0.95 0.02 0.00 0.00 175.30 177.23 2a83 s THR 4 N 0.92 4.14 0.33 0.02 -4.23 -1.26 -1.47 115.64 114.08 2a83 s THR 4 Ca -0.11 1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 61.94 2a83 s THR 4 Cb -0.15 -4.03 -0.10 0.00 1.34 0.00 0.00 72.50 69.56 2a83 s THR 4 CO 0.01 0.19 1.28 -2.16 -0.54 0.00 0.00 174.62 173.40 2a83 s PRO 5 N -1.95 4.39 0.40 3.99 0.04 -1.26 -4.47 135.00 136.14 2a83 s PRO 5 Ca 0.49 2.17 -0.23 0.00 0.04 0.00 0.00 61.00 63.47 2a83 s PRO 5 Cb -0.20 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 2a83 s PRO 5 CO 0.25 -0.14 1.00 0.15 0.04 0.00 0.00 177.00 178.30 2a83 s LYS 6 N -1.75 4.23 -0.05 4.56 1.02 0.14 -4.90 119.74 122.99 2a83 s LYS 6 Ca 0.48 1.34 -0.00 0.00 0.02 0.00 0.00 55.97 57.82 2a83 s LYS 6 Cb -0.39 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2a83 s LYS 6 CO 0.52 -0.05 -0.01 0.42 -0.92 0.00 0.00 175.35 175.30 2a83 s ILE 7 N -1.83 0.31 -0.05 2.17 1.01 -1.26 -1.79 121.20 119.76 2a83 s ILE 7 Ca 0.58 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.33 2a83 s ILE 7 Cb -0.17 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2a83 s ILE 7 CO 0.22 0.20 -0.14 -1.10 0.00 0.00 0.00 174.94 174.11 2a83 s GLN 8 N 1.32 1.69 -0.10 2.79 -0.21 -0.48 -5.00 119.66 119.67 2a83 s GLN 8 Ca -0.05 -0.50 0.02 0.00 0.02 0.00 0.00 55.36 54.85 2a83 s GLN 8 Cb -0.13 -1.43 -0.01 0.00 1.00 0.00 0.00 33.01 32.43 2a83 s GLN 8 CO -0.02 0.14 -0.19 0.54 -2.12 0.00 0.00 175.29 173.64 2a83 s VAL 9 N 0.32 2.56 0.07 1.09 0.11 -1.26 -0.67 120.40 122.62 2a83 s VAL 9 Ca -0.09 -0.85 -0.27 0.00 -2.93 0.00 0.00 61.98 57.84 2a83 s VAL 9 Cb -0.13 -2.02 0.09 0.00 -1.53 0.00 0.00 36.38 32.78 2a83 s VAL 9 CO 0.03 0.55 1.03 -0.72 -3.33 0.00 0.00 175.10 172.66 2a83 s TYR 10 N 0.19 -0.14 0.15 1.54 1.13 -0.54 -4.61 117.35 115.08 2a83 s TYR 10 Ca -0.11 -0.08 0.04 0.00 -1.41 0.00 0.00 57.07 55.52 2a83 s TYR 10 Cb -0.16 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 2a83 s TYR 10 CO 0.06 -0.63 0.17 -1.54 -2.51 0.00 0.00 175.55 171.10 2a83 s SER 11 N -2.84 5.72 0.16 -0.18 1.04 -1.26 -0.43 113.70 115.91 2a83 s SER 11 Ca 0.11 -0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 2a83 s SER 11 Cb 0.00 -1.56 0.05 0.00 0.10 0.00 0.00 66.02 64.61 2a83 s SER 11 CO -0.01 0.07 1.70 -0.09 0.98 0.00 0.00 173.24 175.89 2a83 h ARG 12 N 2.41 0.83 -6.45 4.02 2.43 -1.52 -3.45 114.38 112.66 2a83 h ARG 12 Ca -0.48 -0.17 -0.63 0.00 -0.81 0.00 0.00 59.98 57.90 2a83 h ARG 12 Cb 1.20 -0.13 -0.16 0.00 -0.42 0.00 0.00 29.97 30.46 2a83 h ARG 12 CO 0.65 0.75 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.07 2a83 s HIS 13 N -5.47 2.41 0.24 2.20 3.76 -1.26 -5.04 115.29 112.13 2a83 s HIS 13 Ca -0.13 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.16 2a83 s HIS 13 Cb 0.12 -1.14 -0.13 0.00 1.11 0.00 0.00 32.58 32.53 2a83 s HIS 13 CO 0.79 0.56 1.40 -2.30 -0.85 0.00 0.00 174.74 174.35 2a83 n PRO 14 N -0.09 2.00 -2.18 8.40 -0.02 -1.26 -4.87 135.00 136.98 2a83 n PRO 14 Ca -0.10 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 2a83 n PRO 14 Cb 0.57 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2a83 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a83 s ALA 15 N -0.05 3.55 -0.08 3.55 0.00 -1.26 -5.02 121.76 122.44 2a83 s ALA 15 Ca 0.68 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 2a83 s ALA 15 Cb -0.66 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 18.99 2a83 s ALA 15 CO 0.50 -0.58 -0.03 -2.00 0.00 0.00 0.00 175.76 173.65 2a83 s GLU 16 N 0.06 0.94 0.23 0.00 2.12 -1.26 -5.12 118.70 115.67 2a83 s GLU 16 Ca 0.58 -0.04 -0.32 0.00 0.36 0.00 0.00 54.97 55.56 2a83 s GLU 16 Cb -0.37 -1.16 -0.13 0.00 0.26 0.00 0.00 34.13 32.73 2a83 s GLU 16 CO 0.37 -0.26 1.57 0.09 -0.54 0.00 0.00 175.26 176.49 2a83 n ASN 17 N 4.95 3.41 0.00 -1.70 3.02 -1.26 -1.76 115.26 121.92 2a83 n ASN 17 Ca -0.11 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 2a83 n ASN 17 Cb 0.50 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 2a83 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a83 n GLY 18 N 2.79 0.84 3.36 7.41 0.00 -0.05 -5.00 105.19 114.53 2a83 n GLY 18 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2a83 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a83 s LYS 19 N -0.26 3.40 0.44 1.61 2.47 -0.72 -5.00 119.74 121.68 2a83 s LYS 19 Ca 0.00 -0.66 -0.25 0.00 -1.56 0.00 0.00 55.97 53.51 2a83 s LYS 19 Cb 0.00 -2.76 -0.09 0.00 -1.46 0.00 0.00 37.83 33.52 2a83 s LYS 19 CO 0.00 0.09 1.22 0.45 0.16 0.00 0.00 175.35 177.27 2a83 n SER 20 N 3.90 2.27 -1.46 1.43 2.88 -1.26 -4.21 113.62 117.16 2a83 n SER 20 Ca -0.18 1.07 -0.03 0.00 -1.33 0.00 0.00 58.87 58.40 2a83 n SER 20 Cb 0.52 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2a83 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2a83 n ASN 21 N 0.12 -0.50 -4.12 -3.46 2.85 0.18 -4.99 115.26 105.35 2a83 n ASN 21 Ca 0.08 -1.42 -0.25 0.00 -0.11 0.00 0.00 54.58 52.87 2a83 n ASN 21 Cb 0.40 0.85 -0.16 0.00 1.24 0.00 0.00 39.78 42.11 2a83 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2a83 s PHE 22 N -6.41 1.61 -0.24 1.20 0.40 -1.26 -1.53 117.98 111.75 2a83 s PHE 22 Ca 0.05 -0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 2a83 s PHE 22 Cb -0.01 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 2a83 s PHE 22 CO 0.04 -0.16 0.15 -1.17 0.70 0.00 0.00 175.22 174.78 2a83 s LEU 23 N 0.06 4.05 -0.03 -0.37 2.96 0.21 -1.15 118.68 124.41 2a83 s LEU 23 Ca -0.04 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 2a83 s LEU 23 Cb -0.11 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2a83 s LEU 23 CO 0.02 0.06 -0.18 0.20 -1.32 0.00 0.00 176.35 175.13 2a83 s ASN 24 N 1.07 3.75 -0.18 3.68 0.01 0.42 -1.62 114.94 122.06 2a83 s ASN 24 Ca 0.07 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 2a83 s ASN 24 Cb -0.14 -0.69 0.04 0.00 0.41 0.00 0.00 41.25 40.88 2a83 s ASN 24 CO 0.04 0.33 -0.08 0.00 -1.51 0.00 0.00 177.10 175.89 2a83 s TYR 26 N 1.50 3.10 -0.11 0.00 5.04 0.15 -0.98 117.35 126.05 2a83 s TYR 26 Ca -0.00 -0.49 0.01 0.00 -2.44 0.00 0.00 57.07 54.14 2a83 s TYR 26 Cb -0.16 -2.25 -0.02 0.00 0.35 0.00 0.00 41.96 39.88 2a83 s TYR 26 CO -0.08 -0.39 -0.12 0.14 -1.34 0.00 0.00 175.55 173.76 2a83 s VAL 27 N 1.60 3.18 0.19 3.14 -7.23 -0.52 -1.38 120.40 119.39 2a83 s VAL 27 Ca 0.06 -0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 2a83 s VAL 27 Cb -0.15 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.48 2a83 s VAL 27 CO 0.04 0.54 0.43 -0.94 -0.31 0.00 0.00 175.10 174.87 2a83 s SER 28 N -0.00 -0.12 -0.86 4.85 1.04 -0.74 -1.12 113.70 116.74 2a83 s SER 28 Ca -0.03 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2a83 s SER 28 Cb -0.14 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2a83 s SER 28 CO 0.04 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2a83 n GLY 29 N -0.30 0.80 3.67 7.32 0.00 -0.24 -0.68 105.19 115.76 2a83 n GLY 29 Ca -0.08 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2a83 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a83 s PHE 30 N -2.34 2.81 -0.26 1.61 -0.71 -1.18 -4.46 117.98 113.45 2a83 s PHE 30 Ca 0.00 -0.17 -0.19 0.00 -1.04 0.00 0.00 56.93 55.53 2a83 s PHE 30 Cb 0.00 -1.31 0.07 0.00 -1.21 0.00 0.00 43.02 40.57 2a83 s PHE 30 CO 0.00 0.56 0.66 -1.58 -1.34 0.00 0.00 175.22 173.52 2a83 s HIS 31 N -1.99 -0.89 0.93 3.49 2.46 -0.54 -1.45 115.29 117.30 2a83 s HIS 31 Ca 0.29 1.93 -0.16 0.00 0.47 0.00 0.00 55.06 57.60 2a83 s HIS 31 Cb -0.08 0.44 0.22 0.00 -0.13 0.00 0.00 32.58 33.04 2a83 s HIS 31 CO 0.20 -0.44 0.99 -0.35 -2.47 0.00 0.00 174.74 172.66 2a83 n PRO 32 N 3.62 -2.04 0.21 2.88 -0.04 -1.26 -0.71 135.00 137.66 2a83 n PRO 32 Ca -0.18 -1.56 0.12 0.00 -0.04 0.00 0.00 63.50 61.85 2a83 n PRO 32 Cb 0.57 -1.26 0.20 0.00 -0.04 0.00 0.00 33.50 32.97 2a83 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2a83 h SER 33 N -2.01 0.00 -2.99 3.54 4.64 -1.99 -3.45 113.55 111.29 2a83 h SER 33 Ca -0.35 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.44 2a83 h SER 33 Cb 1.01 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2a83 h SER 33 CO 0.23 0.00 0.73 -1.81 -0.87 0.00 0.00 176.83 175.12 2a83 s ASP 34 N -6.06 6.82 -0.07 4.97 1.01 -1.26 -4.96 116.67 117.12 2a83 s ASP 34 Ca 0.07 2.33 -0.26 0.00 0.71 0.00 0.00 52.55 55.40 2a83 s ASP 34 Cb 0.06 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.46 2a83 s ASP 34 CO 0.66 -0.66 0.58 -0.51 0.21 0.00 0.00 175.17 175.45 2a83 s ILE 35 N 1.15 0.01 -0.09 0.77 2.07 -1.26 -4.62 121.20 119.23 2a83 s ILE 35 Ca 0.65 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.81 2a83 s ILE 35 Cb -0.37 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.34 2a83 s ILE 35 CO 0.30 -0.06 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.47 2a83 s GLU 36 N -0.97 2.47 -0.06 3.50 0.41 -0.57 -5.00 118.70 118.48 2a83 s GLU 36 Ca -0.10 -0.68 0.02 0.00 -0.41 0.00 0.00 54.97 53.80 2a83 s GLU 36 Cb -0.02 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.43 2a83 s GLU 36 CO 0.07 0.11 -0.09 0.08 -0.49 0.00 0.00 175.26 174.93 2a83 s VAL 37 N 0.50 0.91 0.03 2.63 1.01 -1.26 -0.67 120.40 123.56 2a83 s VAL 37 Ca -0.17 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.53 2a83 s VAL 37 Cb -0.17 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2a83 s VAL 37 CO 0.06 0.31 -0.18 -1.81 0.00 0.00 0.00 175.10 173.48 2a83 s ASP 38 N 0.75 3.76 -0.11 3.32 1.01 -0.04 -4.98 116.67 120.38 2a83 s ASP 38 Ca -0.13 -0.41 -0.05 0.00 0.71 0.00 0.00 52.55 52.67 2a83 s ASP 38 Cb -0.15 -0.61 -0.04 0.00 1.01 0.00 0.00 42.92 43.13 2a83 s ASP 38 CO 0.02 0.27 0.09 -0.76 0.21 0.00 0.00 175.17 175.00 2a83 s LEU 39 N -1.30 4.07 -0.01 1.23 1.43 -1.26 -0.79 118.68 122.04 2a83 s LEU 39 Ca 0.14 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2a83 s LEU 39 Cb -0.10 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2a83 s LEU 39 CO 0.04 0.38 -0.24 -0.76 0.23 0.00 0.00 176.35 176.00 2a83 s LEU 40 N -0.88 2.06 -0.20 1.79 1.43 0.28 -0.57 118.68 122.59 2a83 s LEU 40 Ca 0.14 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2a83 s LEU 40 Cb -0.12 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.89 2a83 s LEU 40 CO 0.03 0.29 -0.16 -0.75 0.23 0.00 0.00 176.35 175.99 2a83 s LYS 41 N -0.62 2.63 -1.58 1.70 2.20 -0.08 -1.85 119.74 122.13 2a83 s LYS 41 Ca 0.09 -0.96 -0.12 0.00 -0.36 0.00 0.00 55.97 54.63 2a83 s LYS 41 Cb -0.09 -2.61 0.10 0.00 -1.51 0.00 0.00 37.83 33.71 2a83 s LYS 41 CO -0.01 -0.34 0.69 0.09 -0.36 0.00 0.00 175.35 175.43 2a83 n ASN 42 N 4.58 -2.51 0.00 1.43 3.02 0.12 -1.33 115.26 120.58 2a83 n ASN 42 Ca -0.18 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 2a83 n ASN 42 Cb 0.47 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 2a83 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a83 n GLY 43 N -1.64 1.89 3.75 7.41 0.00 -1.26 -5.02 105.19 110.31 2a83 n GLY 43 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2a83 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a83 s GLU 44 N -0.19 3.03 0.13 1.61 2.02 -0.44 -5.01 118.70 119.84 2a83 s GLU 44 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 54.97 54.22 2a83 s GLU 44 Cb 0.00 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 2a83 s GLU 44 CO 0.00 0.67 1.53 0.50 0.02 0.00 0.00 175.26 177.98 2a83 s ARG 45 N -1.45 4.24 0.08 1.61 3.52 -1.26 -0.90 118.95 124.78 2a83 s ARG 45 Ca 0.19 2.28 -0.30 0.00 -0.13 0.00 0.00 55.73 57.77 2a83 s ARG 45 Cb -0.12 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 2a83 s ARG 45 CO 0.10 -0.59 1.06 0.42 -0.81 0.00 0.00 175.30 175.48 2a83 s ILE 46 N 1.41 4.36 0.46 4.11 1.01 0.27 -4.88 121.20 127.95 2a83 s ILE 46 Ca 0.69 1.82 -0.14 0.00 0.00 0.00 0.00 60.65 63.02 2a83 s ILE 46 Cb -0.41 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 2a83 s ILE 46 CO 0.31 0.21 0.89 -1.61 0.00 0.00 0.00 174.94 174.74 2a83 s GLU 47 N 0.49 3.90 -1.32 2.79 2.02 -1.26 -4.32 118.70 121.00 2a83 s GLU 47 Ca 0.52 0.76 0.00 0.00 0.02 0.00 0.00 54.97 56.27 2a83 s GLU 47 Cb -0.25 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2a83 s GLU 47 CO 0.30 -0.15 0.00 1.63 0.02 0.00 0.00 175.26 177.06 2a83 n LYS 48 N -1.36 -1.01 -1.97 1.61 5.02 -1.26 -4.97 118.16 114.22 2a83 n LYS 48 Ca 0.05 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 2a83 n LYS 48 Cb 0.54 -5.00 -0.01 0.00 -0.02 0.00 0.00 35.03 30.54 2a83 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a83 s VAL 49 N -2.59 2.44 0.30 -0.18 1.01 -1.26 -4.98 120.40 115.14 2a83 s VAL 49 Ca 0.00 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2a83 s VAL 49 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2a83 s VAL 49 CO 0.00 0.09 0.27 -1.61 0.00 0.00 0.00 175.10 173.85 2a83 s GLU 50 N -1.45 2.85 0.07 2.72 2.02 -0.68 -4.93 118.70 119.29 2a83 s GLU 50 Ca 0.54 -1.17 -0.07 0.00 0.02 0.00 0.00 54.97 54.29 2a83 s GLU 50 Cb -0.43 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 2a83 s GLU 50 CO 0.53 0.23 0.14 -3.38 0.02 0.00 0.00 175.26 172.80 2a83 s HIS 51 N -2.22 0.20 0.94 1.61 -3.43 -1.26 -1.01 115.29 110.13 2a83 s HIS 51 Ca 0.38 -0.60 -0.12 0.00 -0.80 0.00 0.00 55.06 53.92 2a83 s HIS 51 Cb -0.07 -0.12 0.15 0.00 -1.43 0.00 0.00 32.58 31.11 2a83 s HIS 51 CO 0.26 -0.47 1.09 -1.54 -2.00 0.00 0.00 174.74 172.09 2a83 s SER 52 N -2.62 3.13 0.15 7.38 1.04 0.04 -5.00 113.70 117.82 2a83 s SER 52 Ca 0.02 1.37 -0.25 0.00 0.48 0.00 0.00 55.95 57.56 2a83 s SER 52 Cb 0.03 -2.04 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 2a83 s SER 52 CO -0.09 -2.84 0.77 -1.81 0.98 0.00 0.00 173.24 170.26 2a83 s ASP 53 N -3.44 7.36 0.03 7.02 1.01 -1.26 -4.78 116.67 122.61 2a83 s ASP 53 Ca 0.64 1.61 -0.37 0.00 0.71 0.00 0.00 52.55 55.15 2a83 s ASP 53 Cb -0.18 -2.49 -0.16 0.00 1.01 0.00 0.00 42.92 41.09 2a83 s ASP 53 CO 0.57 0.18 1.46 -0.11 0.21 0.00 0.00 175.17 177.48 2a83 n LEU 54 N 1.78 2.00 -4.21 1.23 7.94 -1.26 -4.95 117.00 119.54 2a83 n LEU 54 Ca -0.05 1.10 -0.16 0.00 -1.11 0.00 0.00 56.01 55.79 2a83 n LEU 54 Cb 0.49 -1.21 -0.08 0.00 0.53 0.00 0.00 43.42 43.15 2a83 n LEU 54 CO 0.46 -0.82 -0.09 -0.55 -1.11 0.00 0.00 177.39 175.28 2a83 s SER 55 N 1.18 1.00 0.08 1.96 0.15 -1.22 -5.05 113.70 111.80 2a83 s SER 55 Ca 0.86 -1.56 -0.09 0.00 0.70 0.00 0.00 55.95 55.87 2a83 s SER 55 Cb -0.93 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2a83 s SER 55 CO 0.49 -1.04 0.20 0.72 1.20 0.00 0.00 173.24 174.81 2a83 s PHE 56 N -3.62 0.12 0.77 3.44 -0.12 -1.26 -1.76 117.98 115.55 2a83 s PHE 56 Ca 0.37 -0.52 -0.05 0.00 -0.05 0.00 0.00 56.93 56.69 2a83 s PHE 56 Cb 0.03 -0.04 0.13 0.00 -0.63 0.00 0.00 43.02 42.51 2a83 s PHE 56 CO 0.21 -0.53 1.07 -1.12 -0.05 0.00 0.00 175.22 174.79 2a83 s SER 57 N -2.74 4.14 0.44 1.98 0.01 0.13 -4.94 113.70 112.72 2a83 s SER 57 Ca 0.03 -0.10 0.10 0.00 1.31 0.00 0.00 55.95 57.30 2a83 s SER 57 Cb 0.04 -0.25 0.99 0.00 0.21 0.00 0.00 66.02 67.00 2a83 s SER 57 CO -0.10 -2.02 2.09 0.11 0.41 0.00 0.00 173.24 173.73 2a83 h LYS 58 N -0.79 0.37 -0.10 12.44 1.57 -2.02 0.51 116.57 128.55 2a83 h LYS 58 Ca -0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2a83 h LYS 58 Cb 1.27 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2a83 h LYS 58 CO 0.42 0.25 0.00 -0.40 -0.57 0.00 0.00 179.45 179.15 2a83 n ASP 59 N -4.49 0.53 0.00 0.86 5.68 -1.26 -4.89 116.55 112.98 2a83 n ASP 59 Ca 0.01 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 2a83 n ASP 59 Cb 0.07 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 2a83 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2a83 n TRP 60 N -0.23 0.00 -2.28 2.11 7.02 0.17 -5.03 117.44 119.20 2a83 n TRP 60 Ca 0.05 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.17 2a83 n TRP 60 Cb 0.09 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.97 2a83 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2a83 s SER 61 N -3.67 6.02 0.40 -0.99 1.04 -1.26 -4.65 113.70 110.58 2a83 s SER 61 Ca 0.00 2.22 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 2a83 s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2a83 s SER 61 CO 0.00 -1.02 0.69 -0.36 0.98 0.00 0.00 173.24 173.53 2a83 s PHE 62 N -1.66 3.51 -0.02 5.02 0.08 -0.53 -0.70 117.98 123.69 2a83 s PHE 62 Ca 0.67 0.75 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 2a83 s PHE 62 Cb -0.26 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 2a83 s PHE 62 CO 0.30 -0.07 0.20 1.52 -0.10 0.00 0.00 175.22 177.07 2a83 s TYR 63 N -2.44 -0.07 -0.02 0.36 -0.85 -0.72 -1.07 117.35 112.53 2a83 s TYR 63 Ca 0.46 0.10 -0.08 0.00 -0.52 0.00 0.00 57.07 57.04 2a83 s TYR 63 Cb -0.10 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.26 2a83 s TYR 63 CO 0.37 -0.28 0.17 -0.51 -1.52 0.00 0.00 175.55 173.78 2a83 s LEU 64 N -1.08 1.41 -0.17 -3.49 1.43 -0.27 -3.41 118.68 113.10 2a83 s LEU 64 Ca -0.12 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2a83 s LEU 64 Cb -0.06 0.70 -0.01 0.00 0.03 0.00 0.00 46.19 46.85 2a83 s LEU 64 CO 0.02 -0.27 -0.10 -0.22 0.23 0.00 0.00 176.35 176.01 2a83 s LEU 65 N -0.86 2.76 -0.09 1.79 2.96 -1.26 -1.43 118.68 122.55 2a83 s LEU 65 Ca -0.09 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2a83 s LEU 65 Cb -0.05 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2a83 s LEU 65 CO 0.01 0.08 0.03 -0.31 -1.32 0.00 0.00 176.35 174.85 2a83 s TYR 66 N 0.88 3.25 0.02 5.38 1.51 -0.16 -0.78 117.35 127.45 2a83 s TYR 66 Ca -0.03 0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 2a83 s TYR 66 Cb -0.15 -1.81 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 2a83 s TYR 66 CO 0.00 0.53 0.52 1.52 -1.11 0.00 0.00 175.55 177.01 2a83 s TYR 67 N -0.94 -0.43 -0.02 2.71 1.13 -0.18 -0.50 117.35 119.13 2a83 s TYR 67 Ca 0.14 0.57 -0.21 0.00 -1.41 0.00 0.00 57.07 56.16 2a83 s TYR 67 Cb -0.11 0.31 0.04 0.00 -1.10 0.00 0.00 41.96 41.10 2a83 s TYR 67 CO 0.04 -0.60 0.46 -0.08 -2.51 0.00 0.00 175.55 172.86 2a83 s THR 68 N -2.02 0.04 0.38 -3.49 -1.32 -0.64 -1.68 115.64 106.90 2a83 s THR 68 Ca -0.08 -0.30 -0.27 0.00 -1.21 0.00 0.00 61.69 59.83 2a83 s THR 68 Cb -0.01 -0.79 -0.09 0.00 -1.51 0.00 0.00 72.50 70.09 2a83 s THR 68 CO 0.02 -0.16 1.32 -0.70 -2.21 0.00 0.00 174.62 172.88 2a83 s GLU 69 N -1.42 4.10 0.08 7.08 -6.30 -1.26 -0.62 118.70 120.36 2a83 s GLU 69 Ca -0.12 2.21 -0.16 0.00 -2.50 0.00 0.00 54.97 54.41 2a83 s GLU 69 Cb -0.03 -2.87 0.03 0.00 0.00 0.00 0.00 34.13 31.26 2a83 s GLU 69 CO 0.06 -0.40 0.37 -0.59 0.02 0.00 0.00 175.26 174.72 2a83 s PHE 70 N -1.21 -0.18 -0.32 5.30 -0.71 -0.58 -4.80 117.98 115.47 2a83 s PHE 70 Ca 0.54 -0.03 0.03 0.00 -1.04 0.00 0.00 56.93 56.43 2a83 s PHE 70 Cb -0.39 0.20 0.09 0.00 -1.21 0.00 0.00 43.02 41.71 2a83 s PHE 70 CO 0.51 -0.62 0.03 0.99 -1.34 0.00 0.00 175.22 174.79 2a83 s THR 71 N -3.20 2.02 0.61 -4.49 2.01 -1.26 -0.64 115.64 110.68 2a83 s THR 71 Ca -0.01 -2.05 -0.18 0.00 0.31 0.00 0.00 61.69 59.76 2a83 s THR 71 Cb 0.01 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2a83 s THR 71 CO -0.08 -0.50 1.21 -2.16 -0.69 0.00 0.00 174.62 172.40 2a83 s PRO 72 N 1.06 2.90 0.37 4.92 0.04 -1.26 -4.77 135.00 138.25 2a83 s PRO 72 Ca 0.07 1.82 0.04 0.00 0.04 0.00 0.00 61.00 62.97 2a83 s PRO 72 Cb -0.19 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2a83 s PRO 72 CO -0.10 -1.26 0.16 0.95 0.04 0.00 0.00 177.00 176.79 2a83 s THR 73 N -1.63 0.45 0.22 1.26 -4.23 -1.26 -0.87 115.64 109.57 2a83 s THR 73 Ca 0.77 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 2a83 s THR 73 Cb -0.30 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.26 2a83 s THR 73 CO 0.34 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.11 2a83 h GLU 74 N 1.97 1.16 0.00 3.99 4.81 -1.97 -3.35 114.58 121.19 2a83 h GLU 74 Ca -0.33 -0.23 -0.20 0.00 -0.13 0.00 0.00 59.36 58.47 2a83 h GLU 74 Cb 1.26 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 2a83 h GLU 74 CO 0.53 0.96 -2.12 0.36 -0.73 0.00 0.00 179.01 178.01 2a83 n LYS 75 N -4.26 0.67 -2.41 1.92 2.85 -1.26 -4.96 118.16 110.71 2a83 n LYS 75 Ca 0.07 -0.05 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 2a83 n LYS 75 Cb 0.21 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 2a83 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2a83 s ASP 76 N -5.15 7.14 -0.16 -5.58 1.01 -1.26 -5.02 116.67 107.66 2a83 s ASP 76 Ca -0.08 2.23 -0.04 0.00 0.71 0.00 0.00 52.55 55.36 2a83 s ASP 76 Cb 0.09 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2a83 s ASP 76 CO 0.86 -0.31 -0.02 -1.61 0.21 0.00 0.00 175.17 174.30 2a83 s GLU 77 N -0.52 3.69 0.21 8.23 2.02 -1.26 -4.72 118.70 126.35 2a83 s GLU 77 Ca 0.51 -0.48 0.11 0.00 0.02 0.00 0.00 54.97 55.12 2a83 s GLU 77 Cb -0.32 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2a83 s GLU 77 CO 0.38 0.28 -0.18 0.71 0.02 0.00 0.00 175.26 176.46 2a83 s TYR 78 N 0.28 2.41 0.23 1.61 2.02 -1.26 0.16 117.35 122.80 2a83 s TYR 78 Ca -0.02 -0.31 -0.22 0.00 -0.37 0.00 0.00 57.07 56.15 2a83 s TYR 78 Cb -0.14 -1.16 0.04 0.00 -0.40 0.00 0.00 41.96 40.30 2a83 s TYR 78 CO 0.02 0.54 0.71 0.00 -1.57 0.00 0.00 175.55 175.26 2a83 s ALA 79 N -1.84 -1.36 -0.05 3.71 0.00 -0.77 -0.87 121.76 120.58 2a83 s ALA 79 Ca 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2a83 s ALA 79 Cb -0.08 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 2a83 s ALA 79 CO 0.13 -0.97 -0.19 0.00 0.00 0.00 0.00 175.76 174.72 2a83 s ARG 81 N 0.01 3.19 -0.09 0.00 3.52 0.03 -0.92 118.95 124.68 2a83 s ARG 81 Ca -0.04 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2a83 s ARG 81 Cb -0.12 -2.60 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 2a83 s ARG 81 CO 0.03 0.02 -0.19 0.08 -0.81 0.00 0.00 175.30 174.42 2a83 s VAL 82 N 0.80 1.73 -0.00 7.11 1.01 0.00 -0.86 120.40 130.19 2a83 s VAL 82 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.18 2a83 s VAL 82 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2a83 s VAL 82 CO -0.00 0.49 -0.25 0.21 0.00 0.00 0.00 175.10 175.55 2a83 s ASN 83 N 0.54 3.20 0.07 3.32 2.47 0.16 -1.01 114.94 123.68 2a83 s ASN 83 Ca -0.15 -0.47 -0.21 0.00 0.42 0.00 0.00 52.86 52.45 2a83 s ASN 83 Cb -0.17 -0.38 0.05 0.00 -1.45 0.00 0.00 41.25 39.30 2a83 s ASN 83 CO 0.05 0.31 0.49 -2.28 -3.72 0.00 0.00 177.10 171.95 2a83 s HIS 84 N -0.68 -0.37 0.55 0.43 5.65 -1.26 -1.51 115.29 118.10 2a83 s HIS 84 Ca 0.11 0.32 0.24 0.00 0.25 0.00 0.00 55.06 55.97 2a83 s HIS 84 Cb -0.10 0.32 1.47 0.00 -1.18 0.00 0.00 32.58 33.10 2a83 s HIS 84 CO 0.00 -0.66 2.10 -0.24 -0.65 0.00 0.00 174.74 175.29 2a83 h VAL 85 N 2.69 0.72 0.00 0.89 3.04 -1.95 0.01 116.25 121.66 2a83 h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2a83 h VAL 85 Cb 1.23 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2a83 h VAL 85 CO 0.42 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.33 2a83 n THR 86 N -4.21 0.64 -4.08 3.17 -2.24 -1.26 -4.73 114.28 101.57 2a83 n THR 86 Ca 0.02 0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.61 2a83 n THR 86 Cb 0.31 -0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 67.60 2a83 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a83 s LEU 87 N -3.03 3.37 0.35 3.22 1.43 -0.01 -4.98 118.68 119.02 2a83 s LEU 87 Ca 0.09 -0.14 0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2a83 s LEU 87 Cb 0.13 -1.85 0.59 0.00 0.03 0.00 0.00 46.19 45.08 2a83 s LEU 87 CO 0.36 0.09 1.70 0.77 0.23 0.00 0.00 176.35 179.50 2a83 h SER 88 N 7.32 0.00 -3.93 2.29 4.64 -1.85 -3.44 113.55 118.59 2a83 h SER 88 Ca -0.35 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.65 2a83 h SER 88 Cb 1.18 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.99 2a83 h SER 88 CO 0.62 0.43 -0.75 -1.58 -0.87 0.00 0.00 176.83 174.68 2a83 s GLN 89 N -3.57 0.39 0.44 4.77 2.00 -1.26 -5.13 119.66 117.30 2a83 s GLN 89 Ca 0.00 -0.20 -0.24 0.00 -2.00 0.00 0.00 55.36 52.92 2a83 s GLN 89 Cb 0.11 -0.37 -0.10 0.00 0.80 0.00 0.00 33.01 33.46 2a83 s GLN 89 CO 0.70 0.10 1.13 -2.30 -0.50 0.00 0.00 175.29 174.42 2a83 n PRO 90 N 2.89 1.56 -3.63 1.67 -0.02 -1.26 -4.96 135.00 131.25 2a83 n PRO 90 Ca -0.13 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 2a83 n PRO 90 Cb 0.58 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 2a83 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2a83 s LYS 91 N -2.18 4.19 -0.19 -0.52 2.20 -0.18 -4.90 119.74 118.16 2a83 s LYS 91 Ca 0.64 -0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 56.10 2a83 s LYS 91 Cb -0.52 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 2a83 s LYS 91 CO 0.56 0.22 -0.01 0.42 -0.36 0.00 0.00 175.35 176.18 2a83 s ILE 92 N 0.57 3.89 -0.18 5.43 1.01 -1.26 -0.82 121.20 129.84 2a83 s ILE 92 Ca 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 2a83 s ILE 92 Cb -0.12 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.61 2a83 s ILE 92 CO 0.01 0.44 -0.15 -0.69 0.00 0.00 0.00 174.94 174.56 2a83 s VAL 93 N 0.89 2.53 0.30 2.92 1.01 -0.10 -4.98 120.40 122.98 2a83 s VAL 93 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2a83 s VAL 93 Cb -0.14 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 2a83 s VAL 93 CO 0.02 0.50 0.97 -0.54 0.00 0.00 0.00 175.10 176.05 2a83 s LYS 94 N 1.22 4.62 0.10 2.72 1.02 -1.26 -0.88 119.74 127.28 2a83 s LYS 94 Ca 0.03 1.45 -0.31 0.00 0.02 0.00 0.00 55.97 57.16 2a83 s LYS 94 Cb -0.14 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 2a83 s LYS 94 CO -0.07 0.29 1.27 -0.46 -0.92 0.00 0.00 175.35 175.45 2a83 s TRP 95 N -1.45 3.36 -0.16 3.18 -0.00 -0.05 -4.90 118.94 118.93 2a83 s TRP 95 Ca 0.48 1.20 0.00 0.00 -0.00 0.00 0.00 56.10 57.78 2a83 s TRP 95 Cb -0.23 -3.52 0.03 0.00 -0.00 0.00 0.00 33.47 29.75 2a83 s TRP 95 CO 0.29 -1.67 -0.12 0.34 -0.00 0.00 0.00 176.95 175.78 2a83 s ASP 96 N 0.91 2.81 0.24 5.86 -1.08 -1.26 -4.74 116.67 119.40 2a83 s ASP 96 Ca 0.60 -0.57 0.20 0.00 -0.52 0.00 0.00 52.55 52.25 2a83 s ASP 96 Cb -0.33 -1.14 0.94 0.00 -1.46 0.00 0.00 42.92 40.93 2a83 s ASP 96 CO 0.31 -0.09 1.61 -2.11 0.52 0.00 0.00 175.17 175.41 2a83 n ARG 97 N 4.77 0.14 -0.37 4.34 1.85 -1.26 -1.48 116.66 124.66 2a83 n ARG 97 Ca -0.16 0.50 0.09 0.00 -1.00 0.00 0.00 57.85 57.29 2a83 n ARG 97 Cb 0.49 -1.84 0.28 0.00 -1.05 0.00 0.00 32.46 30.34 2a83 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2a83 n ASP 98 N -2.12 3.50 0.00 2.89 8.00 -1.26 -4.74 116.55 122.82 2a83 n ASP 98 Ca 0.01 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.42 2a83 n ASP 98 Cb 0.13 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2a83 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04