#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvb n ILE 1 N 0.00 1.38 -3.91 1.12 5.41 -1.26 -5.02 119.36 117.08 1tvb n ILE 1 Ca 0.00 -0.34 -0.13 0.00 1.00 0.00 0.00 62.75 63.27 1tvb n ILE 1 Cb 0.00 -1.70 -0.14 0.00 -0.71 0.00 0.00 39.64 37.08 1tvb n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1tvb s GLN 2 N -1.03 0.08 -0.01 0.38 -0.21 -1.26 -4.51 119.66 113.09 1tvb s GLN 2 Ca 0.62 -0.01 0.03 0.00 0.02 0.00 0.00 55.36 56.02 1tvb s GLN 2 Cb -0.56 -0.11 -0.00 0.00 1.00 0.00 0.00 33.01 33.33 1tvb s GLN 2 CO 0.54 -0.01 -0.10 1.03 -2.12 0.00 0.00 175.29 174.64 1tvb s ARG 3 N 0.15 0.85 0.18 2.91 0.52 0.53 -4.91 118.95 119.18 1tvb s ARG 3 Ca -0.01 -0.33 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 1tvb s ARG 3 Cb -0.02 -0.81 -0.08 0.00 0.52 0.00 0.00 34.95 34.55 1tvb s ARG 3 CO -0.00 0.18 0.82 0.99 0.02 0.00 0.00 175.30 177.31 1tvb s THR 4 N -0.09 4.30 0.31 0.02 2.01 -1.26 -1.67 115.64 119.26 1tvb s THR 4 Ca 0.02 1.81 -0.29 0.00 0.31 0.00 0.00 61.69 63.54 1tvb s THR 4 Cb -0.05 -4.19 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 1tvb s THR 4 CO -0.00 0.51 1.32 -2.16 -0.69 0.00 0.00 174.62 173.60 1tvb s PRO 5 N -1.10 4.35 -0.27 4.92 0.04 -1.26 -4.25 135.00 137.43 1tvb s PRO 5 Ca 0.37 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.49 1tvb s PRO 5 Cb -0.24 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1tvb s PRO 5 CO 0.28 -0.22 0.30 0.15 0.04 0.00 0.00 177.00 177.55 1tvb s LYS 6 N -1.50 4.00 -0.13 4.56 3.01 -0.09 -4.91 119.74 124.68 1tvb s LYS 6 Ca 0.51 -0.09 -0.01 0.00 -1.01 0.00 0.00 55.97 55.37 1tvb s LYS 6 Cb -0.40 -3.65 -0.02 0.00 -1.01 0.00 0.00 37.83 32.75 1tvb s LYS 6 CO 0.51 -0.23 -0.10 0.42 0.51 0.00 0.00 175.35 176.45 1tvb s ILE 7 N 1.92 3.31 -0.05 2.17 1.01 -1.26 -1.68 121.20 126.63 1tvb s ILE 7 Ca 0.12 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1tvb s ILE 7 Cb -0.16 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1tvb s ILE 7 CO 0.10 0.52 -0.08 -1.10 0.00 0.00 0.00 174.94 174.38 1tvb s GLN 8 N 0.23 1.20 -0.14 2.79 -0.21 -0.48 -4.99 119.66 118.06 1tvb s GLN 8 Ca -0.07 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.08 1tvb s GLN 8 Cb -0.15 -1.08 0.00 0.00 1.00 0.00 0.00 33.01 32.79 1tvb s GLN 8 CO 0.04 -0.02 -0.20 0.08 -2.12 0.00 0.00 175.29 173.07 1tvb s VAL 9 N 0.75 2.25 0.10 1.09 1.01 -1.26 -0.37 120.40 123.96 1tvb s VAL 9 Ca -0.13 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1tvb s VAL 9 Cb -0.15 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1tvb s VAL 9 CO 0.02 0.54 0.87 -0.72 0.00 0.00 0.00 175.10 175.81 1tvb s TYR 10 N 0.75 -0.27 0.15 5.22 1.13 -0.55 -4.61 117.35 119.17 1tvb s TYR 10 Ca -0.08 0.03 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1tvb s TYR 10 Cb -0.16 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 1tvb s TYR 10 CO 0.00 -0.75 0.28 -1.54 -2.51 0.00 0.00 175.55 171.02 1tvb s SER 11 N -2.74 6.32 0.13 -0.18 1.04 -1.26 -0.12 113.70 116.89 1tvb s SER 11 Ca 0.08 0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 1tvb s SER 11 Cb -0.02 -1.90 -0.00 0.00 0.10 0.00 0.00 66.02 64.21 1tvb s SER 11 CO -0.04 0.05 1.66 -0.09 0.98 0.00 0.00 173.24 175.81 1tvb h ARG 12 N 2.16 0.64 -6.19 4.02 2.43 -1.36 -3.45 114.38 112.64 1tvb h ARG 12 Ca -0.48 -0.13 -0.58 0.00 -0.81 0.00 0.00 59.98 57.97 1tvb h ARG 12 Cb 1.19 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.54 1tvb h ARG 12 CO 0.69 0.63 -0.68 -1.01 -1.51 0.00 0.00 179.97 178.08 1tvb s HIS 13 N -5.43 2.54 0.18 2.20 3.76 -1.26 -5.04 115.29 112.23 1tvb s HIS 13 Ca -0.13 -0.28 -0.33 0.00 -0.15 0.00 0.00 55.06 54.16 1tvb s HIS 13 Cb 0.10 -1.15 -0.14 0.00 1.11 0.00 0.00 32.58 32.50 1tvb s HIS 13 CO 0.76 0.64 1.53 -2.30 -0.85 0.00 0.00 174.74 174.52 1tvb n PRO 14 N -0.80 2.07 -2.43 8.40 -0.02 -1.26 -4.90 135.00 136.05 1tvb n PRO 14 Ca -0.06 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.78 1tvb n PRO 14 Cb 0.60 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1tvb n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tvb s ALA 15 N 0.66 3.29 -0.09 3.55 0.00 -1.26 -5.04 121.76 122.86 1tvb s ALA 15 Ca 0.77 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 1tvb s ALA 15 Cb -0.69 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.15 1tvb s ALA 15 CO 0.41 -0.28 0.19 -2.00 0.00 0.00 0.00 175.76 174.08 1tvb s GLU 16 N -1.88 0.09 0.17 0.00 2.12 -1.26 -5.11 118.70 112.82 1tvb s GLU 16 Ca 0.50 0.57 -0.32 0.00 0.36 0.00 0.00 54.97 56.08 1tvb s GLU 16 Cb -0.30 -0.18 -0.12 0.00 0.26 0.00 0.00 34.13 33.79 1tvb s GLU 16 CO 0.38 -0.26 1.72 0.09 -0.54 0.00 0.00 175.26 176.66 1tvb n ASN 17 N 4.98 3.77 0.00 -1.70 5.03 -1.26 -1.85 115.26 124.22 1tvb n ASN 17 Ca -0.12 1.05 0.00 0.00 0.87 0.00 0.00 54.58 56.38 1tvb n ASN 17 Cb 0.51 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 1tvb n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tvb n GLY 18 N 3.91 0.65 3.37 7.41 0.00 -0.54 -5.00 105.19 114.98 1tvb n GLY 18 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1tvb n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tvb s LYS 19 N -0.75 3.43 0.68 1.61 2.20 -0.77 -5.00 119.74 121.13 1tvb s LYS 19 Ca 0.00 -0.64 -0.15 0.00 -0.36 0.00 0.00 55.97 54.82 1tvb s LYS 19 Cb 0.00 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.55 1tvb s LYS 19 CO 0.00 0.10 1.15 -1.54 -0.36 0.00 0.00 175.35 174.70 1tvb s SER 20 N 0.67 4.75 0.23 1.43 1.04 -1.26 -4.28 113.70 116.28 1tvb s SER 20 Ca -0.05 2.16 -0.12 0.00 0.48 0.00 0.00 55.95 58.42 1tvb s SER 20 Cb -0.15 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.45 1tvb s SER 20 CO 0.02 -1.88 0.61 -3.20 0.98 0.00 0.00 173.24 169.77 1tvb n ASN 21 N -2.49 -1.50 -4.18 7.02 2.85 0.05 -4.99 115.26 112.02 1tvb n ASN 21 Ca 0.12 -1.98 -0.25 0.00 -0.11 0.00 0.00 54.58 52.36 1tvb n ASN 21 Cb 0.51 2.49 -0.15 0.00 1.24 0.00 0.00 39.78 43.87 1tvb n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1tvb s PHE 22 N -3.91 1.63 -0.25 1.20 0.40 -1.26 -1.52 117.98 114.28 1tvb s PHE 22 Ca 0.13 -0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 1tvb s PHE 22 Cb -0.03 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 1tvb s PHE 22 CO 0.07 -0.03 0.14 -1.17 0.70 0.00 0.00 175.22 174.93 1tvb s LEU 23 N -0.43 3.91 -0.07 -0.37 2.96 0.33 -0.82 118.68 124.19 1tvb s LEU 23 Ca 0.07 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1tvb s LEU 23 Cb -0.07 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1tvb s LEU 23 CO -0.01 0.02 -0.09 0.20 -1.32 0.00 0.00 176.35 175.16 1tvb s ASN 24 N 1.29 4.50 -0.20 3.68 0.01 0.83 -1.93 114.94 123.12 1tvb s ASN 24 Ca 0.06 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.16 1tvb s ASN 24 Cb -0.14 -1.14 0.04 0.00 0.41 0.00 0.00 41.25 40.42 1tvb s ASN 24 CO 0.06 0.35 -0.15 0.00 -1.51 0.00 0.00 177.10 175.84 1tvb s TYR 26 N 1.28 3.08 -0.14 0.00 5.04 0.50 -0.79 117.35 126.32 1tvb s TYR 26 Ca 0.00 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 1tvb s TYR 26 Cb -0.15 -2.08 0.01 0.00 0.35 0.00 0.00 41.96 40.08 1tvb s TYR 26 CO -0.10 -0.14 -0.21 0.14 -1.34 0.00 0.00 175.55 173.90 1tvb s VAL 27 N 0.84 2.17 0.10 3.14 -7.23 0.11 -1.38 120.40 118.15 1tvb s VAL 27 Ca 0.01 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1tvb s VAL 27 Cb -0.14 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1tvb s VAL 27 CO 0.02 0.55 -0.03 -0.94 -0.31 0.00 0.00 175.10 174.38 1tvb s SER 28 N 0.75 0.90 0.00 4.85 1.04 -0.67 -1.17 113.70 119.40 1tvb s SER 28 Ca -0.08 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1tvb s SER 28 Cb -0.16 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1tvb s SER 28 CO -0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1tvb n GLY 29 N -0.04 0.55 3.94 7.32 0.00 -0.08 -0.92 105.19 115.96 1tvb n GLY 29 Ca -0.11 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1tvb n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tvb s PHE 30 N -2.00 3.42 -0.28 1.61 -0.71 -1.16 -4.18 117.98 114.68 1tvb s PHE 30 Ca 0.00 0.01 -0.19 0.00 -1.04 0.00 0.00 56.93 55.71 1tvb s PHE 30 Cb 0.00 -1.58 0.09 0.00 -1.21 0.00 0.00 43.02 40.32 1tvb s PHE 30 CO 0.00 0.47 0.77 -1.58 -1.34 0.00 0.00 175.22 173.54 1tvb s HIS 31 N -1.91 -0.87 0.46 3.49 2.46 -0.67 -0.93 115.29 117.31 1tvb s HIS 31 Ca 0.34 1.86 -0.08 0.00 0.47 0.00 0.00 55.06 57.65 1tvb s HIS 31 Cb -0.10 0.47 0.11 0.00 -0.13 0.00 0.00 32.58 32.94 1tvb s HIS 31 CO 0.28 -0.43 0.53 -0.35 -2.47 0.00 0.00 174.74 172.30 1tvb n PRO 32 N 3.60 -1.08 0.16 2.88 -0.04 -1.26 -0.34 135.00 138.91 1tvb n PRO 32 Ca -0.17 -0.82 0.13 0.00 -0.04 0.00 0.00 63.50 62.59 1tvb n PRO 32 Cb 0.57 -0.62 0.29 0.00 -0.04 0.00 0.00 33.50 33.70 1tvb n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tvb h SER 33 N -1.13 0.00 -2.71 3.54 4.64 -2.00 -3.45 113.55 112.44 1tvb h SER 33 Ca -0.18 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.60 1tvb h SER 33 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1tvb h SER 33 CO 0.12 0.00 0.99 -1.81 -0.87 0.00 0.00 176.83 175.26 1tvb s ASP 34 N -5.36 6.67 -0.16 4.97 -0.00 -1.26 -4.97 116.67 116.56 1tvb s ASP 34 Ca 0.09 2.34 -0.24 0.00 -0.00 0.00 0.00 52.55 54.74 1tvb s ASP 34 Cb 0.09 -2.55 0.06 0.00 -0.00 0.00 0.00 42.92 40.51 1tvb s ASP 34 CO 0.63 -0.86 0.61 -0.51 -0.00 0.00 0.00 175.17 175.04 1tvb s ILE 35 N 2.95 0.01 -0.15 0.77 2.07 -1.26 -4.63 121.20 120.95 1tvb s ILE 35 Ca 0.72 -0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.91 1tvb s ILE 35 Cb -0.36 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.33 1tvb s ILE 35 CO 0.30 -0.02 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.56 1tvb s GLU 36 N -0.28 3.29 -0.06 3.50 2.02 -0.31 -5.00 118.70 121.86 1tvb s GLU 36 Ca -0.05 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1tvb s GLU 36 Cb -0.03 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1tvb s GLU 36 CO 0.04 0.07 -0.03 0.08 0.02 0.00 0.00 175.26 175.43 1tvb s VAL 37 N 0.71 0.54 0.02 2.63 1.01 -1.26 -1.26 120.40 122.80 1tvb s VAL 37 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1tvb s VAL 37 Cb -0.15 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1tvb s VAL 37 CO 0.02 0.25 -0.18 -1.81 0.00 0.00 0.00 175.10 173.39 1tvb s ASP 38 N 1.37 2.08 0.02 3.32 1.11 0.01 -4.98 116.67 119.61 1tvb s ASP 38 Ca -0.04 -0.43 -0.15 0.00 0.18 0.00 0.00 52.55 52.11 1tvb s ASP 38 Cb -0.13 -0.18 -0.06 0.00 1.07 0.00 0.00 42.92 43.62 1tvb s ASP 38 CO -0.03 0.14 0.43 -0.76 1.18 0.00 0.00 175.17 176.14 1tvb s LEU 39 N -0.91 4.47 -0.01 1.23 1.43 -1.26 -0.48 118.68 123.15 1tvb s LEU 39 Ca 0.05 1.00 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1tvb s LEU 39 Cb -0.08 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1tvb s LEU 39 CO 0.01 0.31 -0.21 -0.76 0.23 0.00 0.00 176.35 175.92 1tvb s LEU 40 N -1.14 2.36 -0.16 1.79 1.43 0.21 -1.17 118.68 122.01 1tvb s LEU 40 Ca 0.25 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1tvb s LEU 40 Cb -0.17 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1tvb s LEU 40 CO 0.14 0.31 -0.15 -0.75 0.23 0.00 0.00 176.35 176.14 1tvb s LYS 41 N -0.87 2.39 -1.61 1.70 2.20 0.29 -1.79 119.74 122.05 1tvb s LYS 41 Ca 0.11 -0.63 -0.15 0.00 -0.36 0.00 0.00 55.97 54.95 1tvb s LYS 41 Cb -0.10 -2.21 0.12 0.00 -1.51 0.00 0.00 37.83 34.12 1tvb s LYS 41 CO 0.01 -0.25 0.80 0.09 -0.36 0.00 0.00 175.35 175.63 1tvb n ASN 42 N 4.74 -3.31 0.00 1.43 3.02 0.68 -1.08 115.26 120.75 1tvb n ASN 42 Ca -0.17 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1tvb n ASN 42 Cb 0.50 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 1tvb n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tvb n GLY 43 N -1.56 0.99 3.69 7.41 0.00 -1.26 -5.03 105.19 109.42 1tvb n GLY 43 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1tvb n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvb s GLU 44 N -0.01 2.71 0.15 1.61 2.02 -0.24 -5.02 118.70 119.92 1tvb s GLU 44 Ca 0.00 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 53.99 1tvb s GLU 44 Cb 0.00 -2.63 -0.10 0.00 0.10 0.00 0.00 34.13 31.50 1tvb s GLU 44 CO 0.00 0.59 1.65 0.50 0.02 0.00 0.00 175.26 178.03 1tvb s ARG 45 N -1.82 4.18 0.04 1.61 3.52 -1.26 -0.55 118.95 124.67 1tvb s ARG 45 Ca 0.22 2.44 -0.30 0.00 -0.13 0.00 0.00 55.73 57.95 1tvb s ARG 45 Cb -0.12 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1tvb s ARG 45 CO 0.13 -0.69 0.98 0.42 -0.81 0.00 0.00 175.30 175.33 1tvb s ILE 46 N 1.66 4.71 0.06 4.11 1.01 -0.32 -4.85 121.20 127.58 1tvb s ILE 46 Ca 0.73 2.03 0.03 0.00 0.00 0.00 0.00 60.65 63.45 1tvb s ILE 46 Cb -0.44 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.48 1tvb s ILE 46 CO 0.32 0.21 1.07 -0.33 0.00 0.00 0.00 174.94 176.21 1tvb h GLU 47 N 6.39 0.11 -1.48 2.79 5.08 -1.94 -3.40 114.58 122.13 1tvb h GLU 47 Ca -0.42 -0.18 -0.28 0.00 -1.00 0.00 0.00 59.36 57.48 1tvb h GLU 47 Cb 1.22 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 1tvb h GLU 47 CO 0.74 1.00 0.36 0.36 -1.00 0.00 0.00 179.01 180.47 1tvb n LYS 48 N -3.36 1.69 -3.52 2.33 0.00 -1.26 -4.93 118.16 109.10 1tvb n LYS 48 Ca -0.08 -1.38 -0.37 0.00 -0.00 0.00 0.00 58.31 56.49 1tvb n LYS 48 Cb 1.00 -1.54 -0.07 0.00 -0.00 0.00 0.00 35.03 34.41 1tvb n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1tvb s VAL 49 N -1.95 5.29 0.28 0.58 1.01 -1.26 -4.79 120.40 119.57 1tvb s VAL 49 Ca 0.27 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1tvb s VAL 49 Cb 0.21 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1tvb s VAL 49 CO 0.00 0.36 0.26 -1.61 0.00 0.00 0.00 175.10 174.12 1tvb s GLU 50 N 0.65 2.93 0.05 2.72 2.02 -0.42 -4.93 118.70 121.72 1tvb s GLU 50 Ca 0.16 -1.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 1tvb s GLU 50 Cb -0.13 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1tvb s GLU 50 CO 0.05 0.28 0.01 -3.38 0.02 0.00 0.00 175.26 172.23 1tvb s HIS 51 N -2.18 0.44 0.88 1.61 -3.43 -1.26 -1.08 115.29 110.26 1tvb s HIS 51 Ca 0.36 -0.94 -0.12 0.00 -0.80 0.00 0.00 55.06 53.56 1tvb s HIS 51 Cb -0.07 -0.32 0.12 0.00 -1.43 0.00 0.00 32.58 30.87 1tvb s HIS 51 CO 0.26 -0.39 1.12 -1.54 -2.00 0.00 0.00 174.74 172.20 1tvb s SER 52 N -2.78 3.81 0.20 7.38 1.04 -0.04 -4.99 113.70 118.32 1tvb s SER 52 Ca 0.05 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.25 1tvb s SER 52 Cb 0.06 -1.70 -0.08 0.00 0.10 0.00 0.00 66.02 64.40 1tvb s SER 52 CO -0.09 -2.37 0.96 -1.81 0.98 0.00 0.00 173.24 170.91 1tvb s ASP 53 N -3.99 7.56 0.04 7.02 -0.00 -1.26 -4.76 116.67 121.29 1tvb s ASP 53 Ca 0.63 1.93 -0.33 0.00 -0.00 0.00 0.00 52.55 54.78 1tvb s ASP 53 Cb -0.15 -2.60 -0.12 0.00 -0.00 0.00 0.00 42.92 40.05 1tvb s ASP 53 CO 0.54 0.06 1.80 -0.11 -0.00 0.00 0.00 175.17 177.45 1tvb n LEU 54 N 1.88 3.56 -4.28 1.23 7.94 -1.26 -4.94 117.00 121.14 1tvb n LEU 54 Ca -0.00 1.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.70 1tvb n LEU 54 Cb 0.47 -1.44 -0.08 0.00 0.53 0.00 0.00 43.42 42.90 1tvb n LEU 54 CO 0.51 -0.04 -0.09 -0.55 -1.11 0.00 0.00 177.39 176.11 1tvb s SER 55 N 2.95 1.75 0.15 1.96 0.15 -1.23 -5.04 113.70 114.39 1tvb s SER 55 Ca 0.86 -1.78 -0.12 0.00 0.70 0.00 0.00 55.95 55.61 1tvb s SER 55 Cb -0.62 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1tvb s SER 55 CO 0.44 -1.08 0.35 0.72 1.20 0.00 0.00 173.24 174.86 1tvb s PHE 56 N -3.39 0.13 0.69 3.44 -0.12 -1.26 -1.60 117.98 115.88 1tvb s PHE 56 Ca 0.41 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.79 1tvb s PHE 56 Cb 0.02 0.11 0.14 0.00 -0.63 0.00 0.00 43.02 42.66 1tvb s PHE 56 CO 0.28 -0.74 0.95 0.43 -0.05 0.00 0.00 175.22 176.09 1tvb n SER 57 N -0.22 1.24 0.23 1.98 7.64 0.14 -4.93 113.62 119.71 1tvb n SER 57 Ca -0.11 -2.06 0.12 0.00 1.01 0.00 0.00 58.87 57.84 1tvb n SER 57 Cb 0.63 -0.62 0.73 0.00 -1.01 0.00 0.00 64.21 63.94 1tvb n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tvb h LYS 58 N 0.00 0.00 -0.51 1.43 1.57 -2.03 -0.83 116.57 116.21 1tvb h LYS 58 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1tvb h LYS 58 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1tvb h LYS 58 CO 0.33 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.81 1tvb n ASP 59 N -4.30 2.74 0.00 0.86 5.75 -1.26 -4.91 116.55 115.44 1tvb n ASP 59 Ca -0.01 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1tvb n ASP 59 Cb 0.17 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1tvb n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1tvb n TRP 60 N 0.86 0.00 -2.93 2.11 7.02 -0.32 -5.03 117.44 119.16 1tvb n TRP 60 Ca 0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.31 1tvb n TRP 60 Cb 0.46 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.28 1tvb n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1tvb s SER 61 N -3.13 6.95 0.48 -0.99 1.04 -1.26 -4.62 113.70 112.18 1tvb s SER 61 Ca 0.00 1.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.94 1tvb s SER 61 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1tvb s SER 61 CO 0.00 -0.24 0.80 -0.36 0.98 0.00 0.00 173.24 174.41 1tvb s PHE 62 N -2.00 3.56 -0.01 5.02 0.08 -0.10 -0.68 117.98 123.84 1tvb s PHE 62 Ca 0.57 0.86 -0.10 0.00 0.12 0.00 0.00 56.93 58.38 1tvb s PHE 62 Cb -0.11 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1tvb s PHE 62 CO 0.16 -0.29 0.20 1.52 -0.10 0.00 0.00 175.22 176.72 1tvb s TYR 63 N -2.73 -0.07 -0.05 0.36 -0.85 -0.62 -0.91 117.35 112.48 1tvb s TYR 63 Ca 0.48 0.10 -0.10 0.00 -0.52 0.00 0.00 57.07 57.03 1tvb s TYR 63 Cb -0.10 0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.27 1tvb s TYR 63 CO 0.44 -0.30 0.24 -0.51 -1.52 0.00 0.00 175.55 173.90 1tvb s LEU 64 N -1.16 1.13 -0.16 -3.49 1.43 -0.32 -3.49 118.68 112.63 1tvb s LEU 64 Ca -0.12 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1tvb s LEU 64 Cb -0.06 0.91 -0.02 0.00 0.03 0.00 0.00 46.19 47.05 1tvb s LEU 64 CO 0.02 -0.24 -0.09 -0.22 0.23 0.00 0.00 176.35 176.05 1tvb s LEU 65 N -0.60 2.87 -0.08 1.79 2.96 -1.26 -0.71 118.68 123.64 1tvb s LEU 65 Ca -0.07 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1tvb s LEU 65 Cb -0.04 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1tvb s LEU 65 CO 0.02 0.12 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.82 1tvb s TYR 66 N 0.63 3.03 0.01 5.38 2.02 0.03 -0.86 117.35 127.59 1tvb s TYR 66 Ca -0.05 0.05 -0.24 0.00 -0.37 0.00 0.00 57.07 56.46 1tvb s TYR 66 Cb -0.15 -1.77 0.05 0.00 -0.40 0.00 0.00 41.96 39.69 1tvb s TYR 66 CO 0.03 0.34 0.53 1.52 -1.57 0.00 0.00 175.55 176.40 1tvb s TYR 67 N -0.70 -0.45 -0.05 2.71 -0.85 -0.24 -0.00 117.35 117.77 1tvb s TYR 67 Ca 0.11 0.63 -0.21 0.00 -0.52 0.00 0.00 57.07 57.08 1tvb s TYR 67 Cb -0.11 0.32 0.04 0.00 0.38 0.00 0.00 41.96 42.59 1tvb s TYR 67 CO 0.02 -0.59 0.46 -0.08 -1.52 0.00 0.00 175.55 173.84 1tvb s THR 68 N -1.89 0.03 0.32 -3.49 -1.32 -0.81 -1.31 115.64 107.16 1tvb s THR 68 Ca -0.08 -0.25 -0.28 0.00 -1.21 0.00 0.00 61.69 59.87 1tvb s THR 68 Cb -0.01 -0.76 -0.09 0.00 -1.51 0.00 0.00 72.50 70.13 1tvb s THR 68 CO 0.03 -0.14 1.06 -0.70 -2.21 0.00 0.00 174.62 172.66 1tvb s GLU 69 N -1.09 4.51 0.14 7.08 2.12 -1.26 -0.52 118.70 129.68 1tvb s GLU 69 Ca -0.11 1.66 -0.18 0.00 0.36 0.00 0.00 54.97 56.69 1tvb s GLU 69 Cb -0.03 -2.98 0.05 0.00 0.26 0.00 0.00 34.13 31.43 1tvb s GLU 69 CO 0.06 0.14 0.47 -0.59 -0.54 0.00 0.00 175.26 174.79 1tvb s PHE 70 N -1.34 -0.31 -0.28 5.30 -0.71 -0.57 -4.86 117.98 115.20 1tvb s PHE 70 Ca 0.49 0.03 0.02 0.00 -1.04 0.00 0.00 56.93 56.43 1tvb s PHE 70 Cb -0.28 0.36 0.08 0.00 -1.21 0.00 0.00 43.02 41.97 1tvb s PHE 70 CO 0.35 -0.75 -0.01 0.99 -1.34 0.00 0.00 175.22 174.46 1tvb s THR 71 N -3.79 1.78 0.61 -4.49 2.01 -1.26 -0.77 115.64 109.72 1tvb s THR 71 Ca 0.02 -1.67 -0.19 0.00 0.31 0.00 0.00 61.69 60.16 1tvb s THR 71 Cb 0.01 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1tvb s THR 71 CO -0.12 -0.33 1.29 -2.84 -0.69 0.00 0.00 174.62 171.93 1tvb s PRO 72 N 1.22 2.81 0.35 4.92 0.02 -1.26 -4.78 135.00 138.28 1tvb s PRO 72 Ca 0.01 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.12 1tvb s PRO 72 Cb -0.19 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 1tvb s PRO 72 CO -0.09 -1.39 0.15 0.95 -0.33 0.00 0.00 177.00 176.28 1tvb s THR 73 N -1.41 0.46 0.09 0.99 -4.23 -1.26 -1.47 115.64 108.80 1tvb s THR 73 Ca 0.79 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 1tvb s THR 73 Cb -0.37 -2.47 -0.15 0.00 1.34 0.00 0.00 72.50 70.85 1tvb s THR 73 CO 0.40 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.13 1tvb h GLU 74 N 2.04 -0.05 0.00 3.99 4.57 -1.98 -3.33 114.58 119.83 1tvb h GLU 74 Ca -0.34 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 1tvb h GLU 74 Cb 1.26 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1tvb h GLU 74 CO 0.53 -0.03 -0.86 1.57 -1.18 0.00 0.00 179.01 179.05 1tvb h LYS 75 N -0.05 0.00 -6.52 1.92 2.10 -2.02 -3.46 116.57 108.53 1tvb h LYS 75 Ca -0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.12 1tvb h LYS 75 Cb 0.04 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.34 1tvb h LYS 75 CO 0.01 0.16 0.27 -0.51 -2.00 0.00 0.00 179.45 177.37 1tvb s ASP 76 N -5.80 7.43 -0.12 7.07 1.01 -1.25 -5.02 116.67 120.00 1tvb s ASP 76 Ca 0.01 1.70 -0.01 0.00 0.71 0.00 0.00 52.55 54.96 1tvb s ASP 76 Cb 0.08 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 1tvb s ASP 76 CO 0.77 0.05 -0.06 -1.61 0.21 0.00 0.00 175.17 174.52 1tvb s GLU 77 N -0.45 3.28 0.17 8.23 2.02 -1.26 -4.74 118.70 125.95 1tvb s GLU 77 Ca 0.41 -0.56 0.11 0.00 0.02 0.00 0.00 54.97 54.96 1tvb s GLU 77 Cb -0.23 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1tvb s GLU 77 CO 0.28 0.40 -0.25 0.71 0.02 0.00 0.00 175.26 176.41 1tvb s TYR 78 N -0.09 2.31 0.29 1.61 2.02 -1.26 -0.23 117.35 122.00 1tvb s TYR 78 Ca 0.01 -0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.14 1tvb s TYR 78 Cb -0.13 -1.19 0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1tvb s TYR 78 CO 0.03 0.43 0.78 0.00 -1.57 0.00 0.00 175.55 175.22 1tvb s ALA 79 N -1.42 -1.17 -0.05 3.71 0.00 -0.74 -0.91 121.76 121.19 1tvb s ALA 79 Ca 0.18 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1tvb s ALA 79 Cb -0.09 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 1tvb s ALA 79 CO 0.08 -1.03 -0.16 0.00 0.00 0.00 0.00 175.76 174.66 1tvb s ARG 81 N 0.16 3.40 -0.05 0.00 3.52 0.37 -1.42 118.95 124.92 1tvb s ARG 81 Ca -0.06 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.91 1tvb s ARG 81 Cb -0.12 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.51 1tvb s ARG 81 CO 0.02 0.08 -0.12 0.08 -0.81 0.00 0.00 175.30 174.55 1tvb s VAL 82 N 0.71 1.11 0.04 7.11 1.01 0.14 -0.81 120.40 129.71 1tvb s VAL 82 Ca -0.05 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1tvb s VAL 82 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1tvb s VAL 82 CO 0.02 0.34 -0.22 0.21 0.00 0.00 0.00 175.10 175.45 1tvb s ASN 83 N 0.46 2.64 0.05 3.32 3.04 -0.39 -0.87 114.94 123.19 1tvb s ASN 83 Ca -0.10 -0.54 -0.27 0.00 0.04 0.00 0.00 52.86 51.99 1tvb s ASN 83 Cb -0.14 -0.22 0.08 0.00 -1.54 0.00 0.00 41.25 39.43 1tvb s ASN 83 CO 0.03 0.18 0.72 -2.28 -3.04 0.00 0.00 177.10 172.71 1tvb s HIS 84 N -0.81 -0.50 0.54 0.43 5.65 -1.26 -1.16 115.29 118.18 1tvb s HIS 84 Ca 0.08 0.49 0.21 0.00 0.25 0.00 0.00 55.06 56.09 1tvb s HIS 84 Cb -0.09 0.51 1.44 0.00 -1.18 0.00 0.00 32.58 33.26 1tvb s HIS 84 CO 0.02 -0.68 2.15 -0.24 -0.65 0.00 0.00 174.74 175.34 1tvb h VAL 85 N 2.25 0.82 0.00 0.89 3.04 -1.94 -1.21 116.25 120.10 1tvb h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1tvb h VAL 85 Cb 1.25 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1tvb h VAL 85 CO 0.36 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.27 1tvb n THR 86 N -4.31 0.68 -3.80 3.17 -2.24 -1.26 -4.72 114.28 101.80 1tvb n THR 86 Ca -0.01 0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 1tvb n THR 86 Cb 0.17 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 1tvb n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1tvb s LEU 87 N -4.09 3.95 0.51 3.22 1.43 -0.46 -4.99 118.68 118.25 1tvb s LEU 87 Ca 0.08 0.08 0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1tvb s LEU 87 Cb 0.11 -2.03 1.04 0.00 0.03 0.00 0.00 46.19 45.34 1tvb s LEU 87 CO 0.45 0.11 1.87 0.77 0.23 0.00 0.00 176.35 179.78 1tvb h SER 88 N 7.19 0.00 -5.13 2.29 4.64 -1.84 -3.43 113.55 117.27 1tvb h SER 88 Ca -0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 1tvb h SER 88 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1tvb h SER 88 CO 0.68 0.04 -0.34 0.00 -0.87 0.00 0.00 176.83 176.34 1tvb s GLN 89 N -3.54 0.84 0.44 4.77 -2.07 -1.26 -5.14 119.66 113.70 1tvb s GLN 89 Ca 0.03 -0.85 -0.25 0.00 -1.82 0.00 0.00 55.36 52.46 1tvb s GLN 89 Cb 0.08 0.35 -0.09 0.00 -1.09 0.00 0.00 33.01 32.26 1tvb s GLN 89 CO 0.59 -0.27 1.32 -2.30 -1.32 0.00 0.00 175.29 173.31 1tvb n PRO 90 N 0.08 1.99 -4.46 9.60 -0.02 -1.26 -4.93 135.00 136.00 1tvb n PRO 90 Ca -0.16 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1tvb n PRO 90 Cb 0.62 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 1tvb n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1tvb s LYS 91 N -2.34 3.39 -0.19 -0.52 2.20 -0.05 -4.90 119.74 117.33 1tvb s LYS 91 Ca 0.62 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 1tvb s LYS 91 Cb -0.48 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1tvb s LYS 91 CO 0.57 0.39 -0.09 0.42 -0.36 0.00 0.00 175.35 176.28 1tvb s ILE 92 N -0.04 3.07 -0.19 5.43 1.01 -1.26 -0.69 121.20 128.52 1tvb s ILE 92 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 1tvb s ILE 92 Cb -0.13 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1tvb s ILE 92 CO 0.03 0.47 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 1tvb s VAL 93 N 1.13 3.63 0.27 2.92 1.01 -0.51 -4.97 120.40 123.88 1tvb s VAL 93 Ca 0.01 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 1tvb s VAL 93 Cb -0.14 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 1tvb s VAL 93 CO -0.03 0.44 0.81 -0.54 0.00 0.00 0.00 175.10 175.79 1tvb s LYS 94 N 1.03 4.35 0.02 2.72 1.02 -1.26 -1.19 119.74 126.43 1tvb s LYS 94 Ca 0.01 1.03 -0.30 0.00 0.02 0.00 0.00 55.97 56.72 1tvb s LYS 94 Cb -0.15 -2.79 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 1tvb s LYS 94 CO 0.01 0.32 1.37 -0.46 -0.92 0.00 0.00 175.35 175.67 1tvb s TRP 95 N -1.62 2.99 -0.25 3.18 -0.00 -0.09 -4.89 118.94 118.27 1tvb s TRP 95 Ca 0.47 0.90 0.02 0.00 -0.00 0.00 0.00 56.10 57.49 1tvb s TRP 95 Cb -0.17 -3.63 0.06 0.00 -0.00 0.00 0.00 33.47 29.73 1tvb s TRP 95 CO 0.21 -2.27 -0.08 0.34 -0.00 0.00 0.00 176.95 175.15 1tvb s ASP 96 N 1.66 4.14 0.00 5.86 -1.08 -1.26 -4.76 116.67 121.24 1tvb s ASP 96 Ca 0.63 -1.29 0.31 0.00 -0.52 0.00 0.00 52.55 51.68 1tvb s ASP 96 Cb -0.32 -1.36 1.61 0.00 -1.46 0.00 0.00 42.92 41.40 1tvb s ASP 96 CO 0.27 -0.21 2.08 -2.11 0.52 0.00 0.00 175.17 175.72 1tvb n ARG 97 N 4.55 0.79 -0.76 4.34 1.85 -1.26 -3.80 116.66 122.37 1tvb n ARG 97 Ca -0.13 -0.09 -0.01 0.00 -1.00 0.00 0.00 57.85 56.62 1tvb n ARG 97 Cb 0.43 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.59 1tvb n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1tvb n ASP 98 N -1.03 3.71 0.00 2.89 10.43 -1.26 -4.91 116.55 126.38 1tvb n ASP 98 Ca 0.19 -3.34 0.15 0.00 2.57 0.00 0.00 54.79 54.36 1tvb n ASP 98 Cb 0.20 -0.65 0.89 0.00 1.84 0.00 0.00 41.12 43.40 1tvb n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36