#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0u n PHE -5 N 0.00 1.72 0.04 1.61 3.72 -1.26 -4.84 117.46 118.45 1r0u n PHE -5 Ca 0.00 0.54 0.18 0.00 -0.05 0.00 0.00 57.45 58.12 1r0u n PHE -5 Cb 0.00 -2.38 0.68 0.00 -0.94 0.00 0.00 39.48 36.84 1r0u n PHE -5 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1r0u h GLN -4 N 4.27 0.01 -0.41 -1.08 1.08 -2.05 -1.60 115.11 115.33 1r0u h GLN -4 Ca -0.45 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 56.83 1r0u h GLN -4 Cb 1.31 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 1r0u h GLN -4 CO 0.76 0.01 0.28 0.66 -0.95 0.00 0.00 178.83 179.59 1r0u h SER -3 N 0.01 0.18 0.23 1.46 4.64 -1.98 -1.66 113.55 116.42 1r0u h SER -3 Ca 0.22 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1r0u h SER -3 Cb 0.85 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1r0u h SER -3 CO -0.00 0.11 -0.24 0.78 -0.87 0.00 0.00 176.83 176.61 1r0u h ASN -2 N 0.20 0.02 0.23 4.97 4.21 -1.64 -2.90 115.58 120.66 1r0u h ASN -2 Ca 0.19 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1r0u h ASN -2 Cb 0.49 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1r0u h ASN -2 CO -0.03 0.26 -0.27 0.00 -1.29 0.00 0.00 177.43 176.09 1r0u n ALA -1 N -2.49 3.11 -2.19 -0.83 0.00 -0.63 -4.90 120.51 112.57 1r0u n ALA -1 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1r0u n ALA -1 Cb 0.30 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1r0u n ALA -1 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1r0u s MET 1 N -2.51 4.26 0.18 0.00 -1.94 -1.10 -4.45 119.30 113.75 1r0u s MET 1 Ca 0.24 2.00 0.10 0.00 -1.71 0.00 0.00 55.69 56.32 1r0u s MET 1 Cb 0.19 -3.62 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 1r0u s MET 1 CO 0.53 -0.62 -0.19 0.15 -0.01 0.00 0.00 175.02 174.87 1r0u s LYS 2 N 2.63 1.70 -1.34 2.03 -0.14 -0.02 -4.76 119.74 119.84 1r0u s LYS 2 Ca 0.65 -1.43 -0.05 0.00 -1.36 0.00 0.00 55.97 53.79 1r0u s LYS 2 Cb -0.32 -1.96 0.03 0.00 -1.68 0.00 0.00 37.83 33.90 1r0u s LYS 2 CO 0.26 0.42 0.33 1.04 -0.76 0.00 0.00 175.35 176.64 1r0u n GLN 3 N 0.24 -3.30 -1.67 1.68 6.02 -1.26 -0.88 117.38 118.21 1r0u n GLN 3 Ca -0.12 0.68 -0.47 0.00 -0.01 0.00 0.00 57.00 57.07 1r0u n GLN 3 Cb 0.56 -5.39 -0.04 0.00 1.02 0.00 0.00 30.24 26.38 1r0u n GLN 3 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1r0u n GLU 4 N -3.48 2.12 -3.71 -1.09 1.02 -1.26 -4.49 120.64 109.75 1r0u n GLU 4 Ca -0.10 0.77 -0.16 0.00 -0.02 0.00 0.00 57.16 57.64 1r0u n GLU 4 Cb 0.60 -2.56 -0.16 0.00 -0.02 0.00 0.00 31.44 29.30 1r0u n GLU 4 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1r0u s THR 5 N 1.93 -0.12 0.27 2.62 2.01 0.40 -4.99 115.64 117.76 1r0u s THR 5 Ca 0.84 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 1r0u s THR 5 Cb -0.70 -0.19 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1r0u s THR 5 CO 0.43 0.12 1.36 -2.84 -0.69 0.00 0.00 174.62 173.01 1r0u s PRO 6 N 1.69 4.32 0.13 4.92 0.02 -1.26 -0.61 135.00 144.21 1r0u s PRO 6 Ca -0.02 2.22 0.04 0.00 0.02 0.00 0.00 61.00 63.26 1r0u s PRO 6 Cb -0.12 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1r0u s PRO 6 CO -0.04 -0.30 -0.10 0.96 -0.33 0.00 0.00 177.00 177.18 1r0u s ILE 7 N -0.42 1.08 -0.16 2.83 -4.36 -0.28 -1.91 121.20 117.98 1r0u s ILE 7 Ca 0.55 -1.92 -0.06 0.00 -0.26 0.00 0.00 60.65 58.96 1r0u s ILE 7 Cb -0.40 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1r0u s ILE 7 CO 0.46 -0.69 0.04 -0.89 0.24 0.00 0.00 174.94 174.10 1r0u s THR 8 N -3.04 4.59 0.07 8.37 2.01 -0.08 -1.42 115.64 126.14 1r0u s THR 8 Ca 0.13 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.09 1r0u s THR 8 Cb 0.01 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1r0u s THR 8 CO 0.00 0.49 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.49 1r0u s LEU 9 N 0.18 2.70 -0.08 4.42 1.43 0.12 -1.44 118.68 126.02 1r0u s LEU 9 Ca 0.03 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1r0u s LEU 9 Cb -0.13 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1r0u s LEU 9 CO 0.01 0.22 -0.02 -2.28 0.23 0.00 0.00 176.35 174.51 1r0u s HIS 10 N -1.04 0.87 -0.17 0.29 2.46 0.24 -2.40 115.29 115.54 1r0u s HIS 10 Ca 0.17 -0.31 0.01 0.00 0.47 0.00 0.00 55.06 55.40 1r0u s HIS 10 Cb -0.11 -0.90 0.01 0.00 -0.13 0.00 0.00 32.58 31.46 1r0u s HIS 10 CO 0.08 -0.36 -0.19 0.08 -2.47 0.00 0.00 174.74 171.88 1r0u s VAL 11 N 1.84 2.21 -0.06 0.89 1.01 -0.03 -0.86 120.40 125.39 1r0u s VAL 11 Ca 0.04 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1r0u s VAL 11 Cb -0.12 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1r0u s VAL 11 CO -0.06 0.53 -0.12 -0.75 0.00 0.00 0.00 175.10 174.70 1r0u s LYS 12 N 1.14 1.68 -0.07 2.72 2.20 -0.08 -1.13 119.74 126.20 1r0u s LYS 12 Ca 0.01 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.23 1r0u s LYS 12 Cb -0.14 -1.40 0.01 0.00 -1.51 0.00 0.00 37.83 34.79 1r0u s LYS 12 CO -0.08 0.05 -0.15 -1.12 -0.36 0.00 0.00 175.35 173.68 1r0u s SER 13 N 0.60 2.10 -0.24 1.43 0.01 0.14 -0.39 113.70 117.36 1r0u s SER 13 Ca -0.13 -0.36 -0.10 0.00 1.31 0.00 0.00 55.95 56.67 1r0u s SER 13 Cb -0.15 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 1r0u s SER 13 CO 0.04 0.08 0.15 -0.69 0.41 0.00 0.00 173.24 173.22 1r0u s VAL 14 N 0.47 5.23 -0.03 3.43 1.01 -0.06 -0.81 120.40 129.63 1r0u s VAL 14 Ca -0.13 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1r0u s VAL 14 Cb -0.15 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1r0u s VAL 14 CO 0.04 0.35 -0.15 -0.63 0.00 0.00 0.00 175.10 174.71 1r0u s ILE 15 N 1.08 1.25 -0.10 2.22 1.01 -0.37 -0.69 121.20 125.60 1r0u s ILE 15 Ca 0.07 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1r0u s ILE 15 Cb -0.14 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1r0u s ILE 15 CO 0.04 0.36 -0.19 -0.70 0.00 0.00 0.00 174.94 174.46 1r0u s GLU 16 N -0.07 2.49 -0.18 2.79 -6.30 -0.11 -1.58 118.70 115.73 1r0u s GLU 16 Ca -0.00 -0.68 -0.04 0.00 -2.50 0.00 0.00 54.97 51.75 1r0u s GLU 16 Cb -0.09 -1.97 0.08 0.00 0.00 0.00 0.00 34.13 32.15 1r0u s GLU 16 CO 0.01 0.07 0.18 0.34 0.02 0.00 0.00 175.26 175.87 1r0u s ASP 17 N 0.61 1.52 -1.12 -1.70 -1.08 -0.29 -1.23 116.67 113.38 1r0u s ASP 17 Ca -0.14 -0.23 -0.26 0.00 -0.52 0.00 0.00 52.55 51.40 1r0u s ASP 17 Cb -0.16 0.21 0.04 0.00 -1.46 0.00 0.00 42.92 41.54 1r0u s ASP 17 CO 0.04 -0.32 0.49 -0.67 0.52 0.00 0.00 175.17 175.23 1r0u n ASP 18 N 5.31 -2.81 0.00 -0.34 2.03 -1.26 -1.02 116.55 118.46 1r0u n ASP 18 Ca -0.06 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1r0u n ASP 18 Cb 0.49 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1r0u n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r0u n GLY 19 N -2.05 3.35 3.85 0.27 0.00 -1.26 -5.05 105.19 104.30 1r0u n GLY 19 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1r0u n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r0u s ASN 20 N -0.94 6.75 -0.03 1.61 2.47 -0.19 -5.09 114.94 119.52 1r0u s ASN 20 Ca 0.00 0.90 0.05 0.00 0.42 0.00 0.00 52.86 54.23 1r0u s ASN 20 Cb 0.00 -2.22 -0.01 0.00 -1.45 0.00 0.00 41.25 37.57 1r0u s ASN 20 CO 0.00 0.26 -0.17 -1.10 -3.72 0.00 0.00 177.10 172.37 1r0u s GLN 21 N -1.43 1.59 -0.03 0.43 -0.21 -1.26 -1.14 119.66 117.61 1r0u s GLN 21 Ca 0.28 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 54.97 1r0u s GLN 21 Cb -0.16 -1.45 0.01 0.00 1.00 0.00 0.00 33.01 32.42 1r0u s GLN 21 CO 0.15 0.30 0.19 -2.00 -2.12 0.00 0.00 175.29 171.81 1r0u s GLU 22 N -0.16 0.42 -0.13 2.91 2.12 -0.62 -5.02 118.70 118.22 1r0u s GLU 22 Ca 0.01 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.24 1r0u s GLU 22 Cb -0.09 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1r0u s GLU 22 CO 0.01 -0.09 -0.19 0.08 -0.54 0.00 0.00 175.26 174.52 1r0u s VAL 23 N -0.81 2.34 -0.05 3.70 1.01 -1.26 -1.23 120.40 124.09 1r0u s VAL 23 Ca -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1r0u s VAL 23 Cb -0.05 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1r0u s VAL 23 CO 0.01 0.54 -0.19 -0.51 0.00 0.00 0.00 175.10 174.96 1r0u s ILE 24 N 0.67 1.58 0.01 2.22 2.07 0.01 -4.98 121.20 122.76 1r0u s ILE 24 Ca -0.09 -0.78 -0.04 0.00 -1.41 0.00 0.00 60.65 58.32 1r0u s ILE 24 Cb -0.16 -1.36 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 1r0u s ILE 24 CO 0.02 0.45 0.08 -1.83 -1.91 0.00 0.00 174.94 171.74 1r0u s GLU 25 N 0.11 0.40 0.06 3.50 -1.05 -1.26 0.28 118.70 120.73 1r0u s GLU 25 Ca -0.07 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1r0u s GLU 25 Cb -0.13 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1r0u s GLU 25 CO 0.03 -0.08 -0.04 -0.59 0.95 0.00 0.00 175.26 175.52 1r0u s PHE 26 N -1.29 0.64 -0.01 4.83 -0.12 -0.29 -4.98 117.98 116.76 1r0u s PHE 26 Ca -0.14 -0.96 0.02 0.00 -0.05 0.00 0.00 56.93 55.81 1r0u s PHE 26 Cb -0.08 -0.42 -0.00 0.00 -0.63 0.00 0.00 43.02 41.89 1r0u s PHE 26 CO 0.01 -0.27 -0.08 1.03 -0.05 0.00 0.00 175.22 175.86 1r0u s ARG 27 N -3.63 0.66 0.26 1.99 0.52 -1.26 -0.85 118.95 116.65 1r0u s ARG 27 Ca 0.06 -0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 54.86 1r0u s ARG 27 Cb 0.05 -0.64 0.06 0.00 0.52 0.00 0.00 34.95 34.93 1r0u s ARG 27 CO -0.07 0.14 0.76 -2.37 0.02 0.00 0.00 175.30 173.78 1r0u n THR 28 N 3.00 0.00 -3.88 0.02 5.66 -1.01 -5.02 114.28 113.06 1r0u n THR 28 Ca -0.14 -0.69 -0.22 0.00 -3.05 0.00 0.00 64.05 59.94 1r0u n THR 28 Cb 0.57 0.77 -0.05 0.00 -1.55 0.00 0.00 70.33 70.06 1r0u n THR 28 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1r0u s THR 29 N -2.19 2.83 0.00 1.09 -4.23 -1.26 -0.70 115.64 111.17 1r0u s THR 29 Ca 0.16 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1r0u s THR 29 Cb -0.03 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1r0u s THR 29 CO 0.08 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1r0u n GLY 30 N -1.34 1.10 2.96 3.99 0.00 -0.50 -4.49 105.19 106.90 1r0u n GLY 30 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1r0u n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r0u s PHE 31 N -1.13 0.39 -0.13 1.61 0.08 -0.02 -1.12 117.98 117.66 1r0u s PHE 31 Ca 0.00 -0.15 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 1r0u s PHE 31 Cb 0.00 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.16 1r0u s PHE 31 CO 0.00 -0.02 0.09 -0.47 -0.10 0.00 0.00 175.22 174.71 1r0u s TYR 32 N -0.33 3.40 0.23 0.36 5.04 0.22 -0.85 117.35 125.43 1r0u s TYR 32 Ca -0.01 0.35 -0.17 0.00 -2.44 0.00 0.00 57.07 54.80 1r0u s TYR 32 Cb -0.03 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.36 1r0u s TYR 32 CO -0.00 0.54 0.57 1.52 -1.34 0.00 0.00 175.55 176.83 1r0u s TYR 33 N -0.67 -0.02 -0.06 4.97 -0.85 -0.62 -0.46 117.35 119.64 1r0u s TYR 33 Ca 0.12 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 56.37 1r0u s TYR 33 Cb -0.12 0.43 -0.01 0.00 0.38 0.00 0.00 41.96 42.64 1r0u s TYR 33 CO 0.02 -1.02 -0.23 0.08 -1.52 0.00 0.00 175.55 172.89 1r0u s VAL 34 N -3.92 1.88 -0.06 -3.49 1.01 -0.06 -0.56 120.40 115.20 1r0u s VAL 34 Ca 0.13 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1r0u s VAL 34 Cb -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1r0u s VAL 34 CO 0.03 0.52 -0.08 -0.54 0.00 0.00 0.00 175.10 175.03 1r0u s LYS 35 N -0.01 1.31 -1.55 2.72 1.02 -0.34 -0.84 119.74 122.05 1r0u s LYS 35 Ca -0.06 -0.27 -0.09 0.00 0.02 0.00 0.00 55.97 55.57 1r0u s LYS 35 Cb -0.14 -1.18 0.07 0.00 -0.52 0.00 0.00 37.83 36.07 1r0u s LYS 35 CO 0.04 -0.04 0.59 1.04 -0.92 0.00 0.00 175.35 176.06 1r0u n GLN 36 N 4.01 -3.28 -2.02 1.68 6.02 -1.26 -1.25 117.38 121.29 1r0u n GLN 36 Ca -0.23 0.39 -0.19 0.00 -0.01 0.00 0.00 57.00 56.97 1r0u n GLN 36 Cb 0.51 -4.79 -0.04 0.00 1.02 0.00 0.00 30.24 26.94 1r0u n GLN 36 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1r0u n ASN 37 N -2.83 -5.31 -4.33 1.08 4.13 -1.26 -5.00 115.26 101.73 1r0u n ASN 37 Ca -0.12 0.18 -0.28 0.00 1.68 0.00 0.00 54.58 56.03 1r0u n ASN 37 Cb 0.59 -4.40 -0.14 0.00 -1.54 0.00 0.00 39.78 34.29 1r0u n ASN 37 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1r0u s LYS 38 N -4.37 1.52 0.06 3.52 1.02 -0.38 -5.11 119.74 116.01 1r0u s LYS 38 Ca 0.00 -1.15 -0.23 0.00 0.02 0.00 0.00 55.97 54.61 1r0u s LYS 38 Cb 0.00 -1.79 -0.06 0.00 -0.52 0.00 0.00 37.83 35.46 1r0u s LYS 38 CO 0.00 0.45 0.71 0.08 -0.92 0.00 0.00 175.35 175.66 1r0u s VAL 39 N -0.92 4.70 0.02 3.17 1.01 -1.25 -1.20 120.40 125.93 1r0u s VAL 39 Ca 0.11 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.67 1r0u s VAL 39 Cb -0.10 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1r0u s VAL 39 CO 0.03 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.05 1r0u s TYR 40 N -0.41 1.81 -0.03 5.22 2.02 0.27 -1.48 117.35 124.75 1r0u s TYR 40 Ca 0.35 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 1r0u s TYR 40 Cb -0.20 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1r0u s TYR 40 CO 0.22 0.05 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.49 1r0u s LEU 41 N -0.92 2.14 -0.01 -1.29 1.43 -0.31 -1.58 118.68 118.14 1r0u s LEU 41 Ca 0.08 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1r0u s LEU 41 Cb -0.08 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1r0u s LEU 41 CO 0.01 0.31 -0.09 -0.94 0.23 0.00 0.00 176.35 175.86 1r0u s SER 42 N -0.53 1.13 0.23 2.29 1.04 -0.03 -0.53 113.70 117.31 1r0u s SER 42 Ca 0.07 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.12 1r0u s SER 42 Cb -0.11 -0.15 0.07 0.00 0.10 0.00 0.00 66.02 65.93 1r0u s SER 42 CO 0.00 0.11 0.95 -0.72 0.98 0.00 0.00 173.24 174.56 1r0u s TYR 43 N -0.17 0.04 0.13 5.02 -0.85 -0.47 -0.84 117.35 120.21 1r0u s TYR 43 Ca 0.03 -0.50 0.11 0.00 -0.52 0.00 0.00 57.07 56.19 1r0u s TYR 43 Cb -0.04 0.73 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 1r0u s TYR 43 CO -0.00 -1.09 -0.26 0.71 -1.52 0.00 0.00 175.55 173.39 1r0u s TYR 44 N -2.46 2.33 0.13 -3.49 2.02 -1.26 -0.87 117.35 113.75 1r0u s TYR 44 Ca 0.18 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1r0u s TYR 44 Cb -0.03 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1r0u s TYR 44 CO 0.06 0.36 -0.02 -1.83 -1.57 0.00 0.00 175.55 172.55 1r0u s GLU 45 N -2.12 0.96 -0.16 -0.62 -1.05 0.20 -4.94 118.70 110.98 1r0u s GLU 45 Ca 0.15 -1.43 -0.05 0.00 -0.15 0.00 0.00 54.97 53.49 1r0u s GLU 45 Cb -0.10 -0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.37 1r0u s GLU 45 CO 0.07 -0.09 0.01 -2.00 0.95 0.00 0.00 175.26 174.19 1r0u s GLU 46 N -3.89 3.73 0.29 -4.83 2.56 -1.26 -0.63 118.70 114.67 1r0u s GLU 46 Ca 0.18 -0.44 0.08 0.00 0.00 0.00 0.00 54.97 54.80 1r0u s GLU 46 Cb 0.06 -3.02 -0.04 0.00 2.00 0.00 0.00 34.13 33.13 1r0u s GLU 46 CO -0.00 0.30 0.10 -1.58 -0.56 0.00 0.00 175.26 173.52 1r0u s HIS 47 N 0.23 2.79 0.38 5.30 5.65 -0.10 -4.97 115.29 124.58 1r0u s HIS 47 Ca 0.00 -0.26 0.14 0.00 0.25 0.00 0.00 55.06 55.19 1r0u s HIS 47 Cb -0.13 -1.42 0.97 0.00 -1.18 0.00 0.00 32.58 30.81 1r0u s HIS 47 CO 0.02 0.48 1.82 -0.44 -0.65 0.00 0.00 174.74 175.97 1r0u h ASP 48 N 1.66 0.54 -0.06 9.88 3.32 -1.99 -1.15 116.42 128.61 1r0u h ASP 48 Ca -0.45 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1r0u h ASP 48 Cb 1.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1r0u h ASP 48 CO 0.61 0.20 0.00 0.18 -1.72 0.00 0.00 179.24 178.51 1r0u n LEU 49 N -4.60 1.69 0.00 1.55 4.77 -1.26 -5.03 117.00 114.12 1r0u n LEU 49 Ca 0.21 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1r0u n LEU 49 Cb 0.67 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1r0u n LEU 49 CO 0.27 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1r0u n GLY 50 N 1.19 0.71 3.75 -0.72 0.00 -0.44 -4.87 105.19 104.81 1r0u n GLY 50 Ca 0.18 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1r0u n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r0u s LYS 51 N -1.06 4.71 -0.08 1.61 2.20 -1.26 -0.92 119.74 124.93 1r0u s LYS 51 Ca 0.00 1.65 0.05 0.00 -0.36 0.00 0.00 55.97 57.30 1r0u s LYS 51 Cb 0.00 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1r0u s LYS 51 CO 0.00 0.28 -0.23 0.08 -0.36 0.00 0.00 175.35 175.12 1r0u s VAL 52 N -0.84 1.98 -0.09 4.02 1.01 0.20 -1.41 120.40 125.28 1r0u s VAL 52 Ca 0.45 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1r0u s VAL 52 Cb -0.29 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1r0u s VAL 52 CO 0.35 0.55 0.37 -0.75 0.00 0.00 0.00 175.10 175.62 1r0u s LYS 53 N 0.19 4.10 -0.10 2.72 2.20 0.27 -0.63 119.74 128.48 1r0u s LYS 53 Ca -0.13 0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 1r0u s LYS 53 Cb -0.16 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1r0u s LYS 53 CO 0.07 0.42 -0.12 0.99 -0.36 0.00 0.00 175.35 176.35 1r0u s THR 54 N -0.15 1.25 -0.12 3.43 2.01 -0.05 -0.93 115.64 121.09 1r0u s THR 54 Ca 0.21 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1r0u s THR 54 Cb -0.15 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1r0u s THR 54 CO 0.09 0.40 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.55 1r0u s ILE 55 N 1.18 2.07 -0.19 1.82 1.01 -0.33 -1.37 121.20 125.40 1r0u s ILE 55 Ca -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 1r0u s ILE 55 Cb -0.14 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1r0u s ILE 55 CO -0.03 0.56 -0.01 -0.69 0.00 0.00 0.00 174.94 174.76 1r0u s VAL 56 N 0.53 3.90 -0.16 2.92 1.01 0.31 -0.51 120.40 128.41 1r0u s VAL 56 Ca -0.14 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1r0u s VAL 56 Cb -0.17 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1r0u s VAL 56 CO 0.05 0.45 -0.18 -0.75 0.00 0.00 0.00 175.10 174.67 1r0u s LYS 57 N 0.81 3.12 -0.19 2.72 2.20 0.40 -1.16 119.74 127.65 1r0u s LYS 57 Ca -0.00 -0.79 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 1r0u s LYS 57 Cb -0.14 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1r0u s LYS 57 CO 0.02 -0.04 0.01 0.08 -0.36 0.00 0.00 175.35 175.06 1r0u s VAL 58 N 0.92 4.15 0.42 4.02 1.01 -0.55 -0.91 120.40 129.46 1r0u s VAL 58 Ca -0.04 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1r0u s VAL 58 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1r0u s VAL 58 CO -0.03 0.45 0.07 -0.44 0.00 0.00 0.00 175.10 175.15 1r0u s SER 59 N 0.71 3.15 -0.10 3.32 0.01 -0.16 -3.90 113.70 116.73 1r0u s SER 59 Ca 0.00 -1.59 -0.29 0.00 1.31 0.00 0.00 55.95 55.38 1r0u s SER 59 Cb -0.14 0.33 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 1r0u s SER 59 CO 0.02 -0.81 1.73 -0.70 0.41 0.00 0.00 173.24 173.89 1r0u s GLU 60 N -3.79 3.98 0.00 12.44 2.12 -1.26 -3.22 118.70 128.97 1r0u s GLU 60 Ca 0.22 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.63 1r0u s GLU 60 Cb 0.04 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1r0u s GLU 60 CO 0.12 -1.09 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 1r0u n GLY 61 N 4.46 0.40 3.53 -1.50 0.00 -1.26 -4.97 105.19 105.85 1r0u n GLY 61 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1r0u n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r0u s GLU 62 N -0.45 0.87 -0.03 1.61 2.12 -1.20 -2.09 118.70 119.53 1r0u s GLU 62 Ca 0.00 0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1r0u s GLU 62 Cb 0.00 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.81 1r0u s GLU 62 CO 0.00 -0.18 -0.06 0.08 -0.54 0.00 0.00 175.26 174.56 1r0u s VAL 63 N -0.28 0.61 -0.17 3.70 1.01 -0.23 -0.98 120.40 124.06 1r0u s VAL 63 Ca -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1r0u s VAL 63 Cb -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1r0u s VAL 63 CO 0.04 0.21 -0.11 -0.22 0.00 0.00 0.00 175.10 175.03 1r0u s LEU 64 N 0.41 2.70 -0.28 3.92 2.96 -0.09 -0.14 118.68 128.15 1r0u s LEU 64 Ca -0.06 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1r0u s LEU 64 Cb -0.10 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.98 1r0u s LEU 64 CO 0.00 0.07 0.00 -0.69 -1.32 0.00 0.00 176.35 174.41 1r0u s VAL 65 N 0.95 3.22 -0.42 1.68 1.01 -0.10 -0.45 120.40 126.29 1r0u s VAL 65 Ca -0.02 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1r0u s VAL 65 Cb -0.15 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1r0u s VAL 65 CO -0.01 0.03 0.28 -0.04 0.00 0.00 0.00 175.10 175.36 1r0u s MET 66 N 1.34 2.78 -0.09 2.72 -1.94 0.34 -1.03 119.30 123.42 1r0u s MET 66 Ca -0.01 -1.29 -0.05 0.00 -1.71 0.00 0.00 55.69 52.62 1r0u s MET 66 Cb -0.18 -3.86 -0.04 0.00 2.01 0.00 0.00 34.83 32.76 1r0u s MET 66 CO -0.01 -0.88 0.12 1.03 -0.01 0.00 0.00 175.02 175.27 1r0u s ARG 67 N 1.53 3.35 0.17 2.03 0.52 0.30 -1.19 118.95 125.65 1r0u s ARG 67 Ca 0.03 -0.22 -0.06 0.00 -0.52 0.00 0.00 55.73 54.96 1r0u s ARG 67 Cb -0.22 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 1r0u s ARG 67 CO 0.05 0.74 0.21 -1.54 0.02 0.00 0.00 175.30 174.78 1r0u s SER 68 N -1.18 0.13 0.05 0.23 1.04 -0.11 -1.63 113.70 112.23 1r0u s SER 68 Ca 0.17 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1r0u s SER 68 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1r0u s SER 68 CO 0.06 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1r0u n GLY 69 N -0.20 0.97 0.25 7.32 0.00 -1.26 -0.57 105.19 111.70 1r0u n GLY 69 Ca -0.05 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1r0u n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r0u h ALA 70 N 0.00 1.13 -3.78 4.61 0.00 -1.51 -3.39 119.26 116.32 1r0u h ALA 70 Ca 0.00 -0.15 -0.47 0.00 0.00 0.00 0.00 54.91 54.29 1r0u h ALA 70 Cb 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 17.45 1r0u h ALA 70 CO 0.00 0.20 -0.80 0.54 0.00 0.00 0.00 179.25 179.19 1r0u s VAL 71 N -3.90 0.98 -0.25 0.00 0.11 -1.26 -4.61 120.40 111.47 1r0u s VAL 71 Ca -0.01 -0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1r0u s VAL 71 Cb 0.11 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1r0u s VAL 71 CO 0.60 0.30 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.84 1r0u s LYS 72 N 0.24 2.66 -0.22 1.54 2.47 -0.06 -2.35 119.74 124.02 1r0u s LYS 72 Ca -0.05 -1.09 -0.15 0.00 -1.56 0.00 0.00 55.97 53.13 1r0u s LYS 72 Cb -0.10 -2.94 0.06 0.00 -1.46 0.00 0.00 37.83 33.39 1r0u s LYS 72 CO 0.01 -0.45 0.55 1.41 0.16 0.00 0.00 175.35 177.03 1r0u s MET 73 N 1.26 0.58 -0.66 4.03 1.75 -0.64 -1.06 119.30 124.55 1r0u s MET 73 Ca -0.02 0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 55.26 1r0u s MET 73 Cb -0.17 0.15 0.17 0.00 2.84 0.00 0.00 34.83 37.82 1r0u s MET 73 CO -0.05 -0.13 0.53 -0.80 -0.65 0.00 0.00 175.02 173.92 1r0u s ASN 74 N 1.08 5.83 -0.31 1.11 0.01 -1.26 -0.54 114.94 120.86 1r0u s ASN 74 Ca -0.06 -2.62 -0.23 0.00 -0.71 0.00 0.00 52.86 49.24 1r0u s ASN 74 Cb -0.06 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.60 1r0u s ASN 74 CO -0.10 -0.50 0.76 -1.58 -1.51 0.00 0.00 177.10 174.17 1r0u s GLN 75 N 0.28 3.94 -0.36 -0.60 0.74 -0.20 -4.77 119.66 118.70 1r0u s GLN 75 Ca 0.15 0.52 -0.07 0.00 0.05 0.00 0.00 55.36 56.02 1r0u s GLN 75 Cb -0.18 -3.73 0.05 0.00 1.10 0.00 0.00 33.01 30.25 1r0u s GLN 75 CO -0.05 -0.67 0.14 0.50 -0.55 0.00 0.00 175.29 174.67 1r0u s ARG 76 N 2.90 2.58 -0.35 1.67 3.52 -1.26 -0.93 118.95 127.08 1r0u s ARG 76 Ca 0.31 -1.28 -0.20 0.00 -0.13 0.00 0.00 55.73 54.43 1r0u s ARG 76 Cb -0.14 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1r0u s ARG 76 CO 0.13 -0.75 0.62 -0.06 -0.81 0.00 0.00 175.30 174.42 1r0u s PHE 77 N 1.39 3.16 -0.20 5.12 0.08 0.80 -4.63 117.98 123.70 1r0u s PHE 77 Ca 0.00 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.39 1r0u s PHE 77 Cb -0.20 -3.11 0.04 0.00 -0.57 0.00 0.00 43.02 39.18 1r0u s PHE 77 CO 0.02 -0.61 -0.09 0.08 -0.10 0.00 0.00 175.22 174.52 1r0u s VAL 78 N 2.66 1.61 0.10 -0.44 1.01 -1.26 -1.06 120.40 123.02 1r0u s VAL 78 Ca 0.24 -1.02 -0.35 0.00 0.00 0.00 0.00 61.98 60.84 1r0u s VAL 78 Cb -0.15 -1.71 -0.15 0.00 0.00 0.00 0.00 36.38 34.37 1r0u s VAL 78 CO 0.14 0.13 1.49 0.41 0.00 0.00 0.00 175.10 177.28 1r0u n THR 79 N 4.69 0.04 -1.09 3.92 -1.04 -0.89 -1.56 114.28 118.34 1r0u n THR 79 Ca -0.14 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.05 61.83 1r0u n THR 79 Cb 0.46 -1.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 1r0u n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r0u n GLY 80 N 3.09 0.59 3.20 3.41 0.00 0.00 -5.00 105.19 110.47 1r0u n GLY 80 Ca 0.18 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1r0u n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r0u s ALA 81 N -1.90 0.55 -0.00 4.61 0.00 -0.60 -5.00 121.76 119.42 1r0u s ALA 81 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.76 1r0u s ALA 81 Cb 0.00 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1r0u s ALA 81 CO 0.00 -0.52 -0.16 -1.12 0.00 0.00 0.00 175.76 173.96 1r0u s SER 82 N -3.01 3.94 0.13 0.00 0.01 -1.26 -1.93 113.70 111.59 1r0u s SER 82 Ca 0.20 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1r0u s SER 82 Cb 0.06 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1r0u s SER 82 CO -0.00 0.30 -0.13 0.42 0.41 0.00 0.00 173.24 174.23 1r0u s THR 83 N -0.84 1.33 -0.04 1.44 -4.23 0.00 -4.96 115.64 108.34 1r0u s THR 83 Ca 0.14 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1r0u s THR 83 Cb -0.11 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 1r0u s THR 83 CO 0.03 -0.50 -0.24 -0.63 -0.54 0.00 0.00 174.62 172.74 1r0u s ILE 84 N -2.46 2.16 0.01 2.99 1.01 -1.26 -0.67 121.20 122.99 1r0u s ILE 84 Ca 0.12 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 1r0u s ILE 84 Cb -0.03 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.68 1r0u s ILE 84 CO 0.03 0.58 0.19 0.00 0.00 0.00 0.00 174.94 175.74 1r0u s ALA 85 N -0.48 -0.44 0.09 9.38 0.00 -0.79 -4.99 121.76 124.53 1r0u s ALA 85 Ca 0.06 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1r0u s ALA 85 Cb -0.11 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1r0u s ALA 85 CO 0.01 -0.27 1.01 0.15 0.00 0.00 0.00 175.76 176.66 1r0u s LYS 86 N -1.76 4.61 -0.42 0.00 -0.14 -1.26 -1.43 119.74 119.35 1r0u s LYS 86 Ca -0.11 1.52 -0.15 0.00 -1.36 0.00 0.00 55.97 55.86 1r0u s LYS 86 Cb -0.05 -3.38 0.03 0.00 -1.68 0.00 0.00 37.83 32.75 1r0u s LYS 86 CO 0.00 0.07 0.32 -0.47 -0.76 0.00 0.00 175.35 174.51 1r0u s TYR 87 N 0.36 3.24 -0.12 3.18 5.04 -0.27 -4.34 117.35 124.43 1r0u s TYR 87 Ca 0.50 -0.62 0.01 0.00 -2.44 0.00 0.00 57.07 54.52 1r0u s TYR 87 Cb -0.24 -2.68 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 1r0u s TYR 87 CO 0.30 -0.62 -0.17 0.21 -1.34 0.00 0.00 175.55 173.93 1r0u s LYS 88 N 1.70 3.27 0.50 4.97 2.20 -0.22 -1.70 119.74 130.46 1r0u s LYS 88 Ca 0.05 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 54.94 1r0u s LYS 88 Cb -0.20 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1r0u s LYS 88 CO 0.10 0.21 0.07 -1.64 -0.36 0.00 0.00 175.35 173.72 1r0u s MET 89 N 0.33 2.17 0.53 4.03 -1.94 0.44 -0.88 119.30 123.99 1r0u s MET 89 Ca -0.13 -2.28 0.24 0.00 -1.71 0.00 0.00 55.69 51.81 1r0u s MET 89 Cb -0.17 -1.65 1.47 0.00 2.01 0.00 0.00 34.83 36.50 1r0u s MET 89 CO 0.07 -0.34 2.13 0.66 -0.01 0.00 0.00 175.02 177.52 1r0u h SER 90 N 1.33 0.00 -0.29 3.03 4.64 -1.92 -2.94 113.55 117.41 1r0u h SER 90 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1r0u h SER 90 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1r0u h SER 90 CO 0.73 0.08 0.00 2.22 -0.87 0.00 0.00 176.83 178.99 1r0u n PHE 91 N -3.93 0.38 -3.16 4.77 1.16 -1.26 -5.07 117.46 110.34 1r0u n PHE 91 Ca -0.02 -0.36 0.00 0.00 -1.87 0.00 0.00 57.45 55.19 1r0u n PHE 91 Cb 0.17 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.02 1r0u n PHE 91 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1r0u n GLY 92 N 0.66 -1.13 3.33 4.97 0.00 -1.11 -5.17 105.19 106.74 1r0u n GLY 92 Ca 0.11 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1r0u n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r0u s GLU 93 N -1.99 1.08 -0.13 1.61 -1.05 -1.26 -0.42 118.70 116.55 1r0u s GLU 93 Ca 0.00 -0.86 -0.09 0.00 -0.15 0.00 0.00 54.97 53.87 1r0u s GLU 93 Cb 0.00 0.44 0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1r0u s GLU 93 CO 0.00 -0.41 0.32 -1.17 0.95 0.00 0.00 175.26 174.95 1r0u s LEU 94 N -2.85 0.47 0.14 1.83 2.96 -0.69 -4.99 118.68 115.56 1r0u s LEU 94 Ca 0.06 0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 54.34 1r0u s LEU 94 Cb 0.02 1.05 -0.08 0.00 0.50 0.00 0.00 46.19 47.68 1r0u s LEU 94 CO -0.09 -0.15 1.26 -1.61 -1.32 0.00 0.00 176.35 174.45 1r0u s GLU 95 N 0.78 4.42 -0.05 1.98 2.02 -1.26 -1.12 118.70 125.46 1r0u s GLU 95 Ca -0.05 1.93 0.05 0.00 0.02 0.00 0.00 54.97 56.92 1r0u s GLU 95 Cb -0.06 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1r0u s GLU 95 CO -0.05 -0.24 -0.20 -0.51 0.02 0.00 0.00 175.26 174.28 1r0u s LEU 96 N 0.38 2.38 -0.16 1.80 1.43 -0.51 -4.74 118.68 119.26 1r0u s LEU 96 Ca 0.58 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1r0u s LEU 96 Cb -0.34 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1r0u s LEU 96 CO 0.34 0.30 0.04 -0.75 0.23 0.00 0.00 176.35 176.51 1r0u s LYS 97 N -0.45 3.75 -0.20 1.70 2.20 -0.74 -1.88 119.74 124.12 1r0u s LYS 97 Ca 0.05 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1r0u s LYS 97 Cb -0.12 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.13 1r0u s LYS 97 CO 0.01 0.36 -0.17 0.99 -0.36 0.00 0.00 175.35 176.19 1r0u s THR 98 N 0.09 2.19 -0.32 3.43 2.01 0.16 -2.01 115.64 121.20 1r0u s THR 98 Ca 0.04 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 1r0u s THR 98 Cb -0.12 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.42 1r0u s THR 98 CO 0.01 0.41 0.05 -0.44 -0.69 0.00 0.00 174.62 173.96 1r0u s SER 99 N 1.26 5.11 -0.15 3.53 0.01 0.10 -0.82 113.70 122.74 1r0u s SER 99 Ca 0.02 -1.19 -0.14 0.00 1.31 0.00 0.00 55.95 55.96 1r0u s SER 99 Cb -0.15 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 1r0u s SER 99 CO -0.11 -0.29 0.30 -0.89 0.41 0.00 0.00 173.24 172.66 1r0u s THR 100 N 1.34 5.30 -0.17 1.44 2.01 -0.81 -0.64 115.64 124.10 1r0u s THR 100 Ca -0.03 0.56 -0.07 0.00 0.31 0.00 0.00 61.69 62.46 1r0u s THR 100 Cb -0.20 -3.63 -0.23 0.00 0.01 0.00 0.00 72.50 68.45 1r0u s THR 100 CO 0.01 0.40 0.20 0.29 -0.69 0.00 0.00 174.62 174.83 1r0u n LYS 101 N 3.48 0.71 -3.54 4.92 5.02 0.32 -0.82 118.16 128.25 1r0u n LYS 101 Ca -0.12 0.28 -0.18 0.00 -2.02 0.00 0.00 58.31 56.27 1r0u n LYS 101 Cb 0.52 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1r0u n LYS 101 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1r0u s SER 102 N -6.94 -0.63 -0.04 4.39 1.04 -1.11 -4.35 113.70 106.07 1r0u s SER 102 Ca -0.26 0.70 0.01 0.00 0.48 0.00 0.00 55.95 56.88 1r0u s SER 102 Cb 0.07 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1r0u s SER 102 CO 0.70 -0.59 -0.05 -0.63 0.98 0.00 0.00 173.24 173.65 1r0u s ILE 103 N -1.16 0.54 -0.05 -1.02 1.01 -1.26 -1.56 121.20 117.71 1r0u s ILE 103 Ca -0.11 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1r0u s ILE 103 Cb -0.00 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 1r0u s ILE 103 CO 0.09 0.21 -0.19 -1.10 0.00 0.00 0.00 174.94 173.96 1r0u s GLN 104 N 0.68 1.99 0.02 2.79 -0.21 0.12 -4.98 119.66 120.07 1r0u s GLN 104 Ca -0.09 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1r0u s GLN 104 Cb -0.12 -1.71 -0.02 0.00 1.00 0.00 0.00 33.01 32.16 1r0u s GLN 104 CO 0.00 0.27 -0.04 -1.54 -2.12 0.00 0.00 175.29 171.86 1r0u s SER 105 N 0.02 0.37 -0.20 5.90 1.04 -1.26 -0.34 113.70 119.22 1r0u s SER 105 Ca -0.04 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 1r0u s SER 105 Cb -0.12 0.06 0.10 0.00 0.10 0.00 0.00 66.02 66.15 1r0u s SER 105 CO 0.03 -0.21 0.26 -1.81 0.98 0.00 0.00 173.24 172.48 1r0u s ASP 106 N -1.19 0.99 -0.03 7.02 1.01 -0.42 -5.02 116.67 119.04 1r0u s ASP 106 Ca -0.11 -0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.15 1r0u s ASP 106 Cb -0.08 0.57 0.02 0.00 1.01 0.00 0.00 42.92 44.44 1r0u s ASP 106 CO -0.00 -0.31 -0.03 -0.76 0.21 0.00 0.00 175.17 174.28 1r0u s LEU 107 N 2.38 1.35 0.00 1.23 1.43 -1.26 -1.30 118.68 122.51 1r0u s LEU 107 Ca 0.07 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1r0u s LEU 107 Cb -0.15 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.72 1r0u s LEU 107 CO -0.12 -0.06 0.26 -0.90 0.23 0.00 0.00 176.35 175.77 1r0u n ASP 108 N 3.95 -0.74 0.00 2.29 5.68 -0.72 -5.01 116.55 121.99 1r0u n ASP 108 Ca -0.25 -1.86 0.12 0.00 -0.50 0.00 0.00 54.79 52.30 1r0u n ASP 108 Cb 0.51 1.34 0.56 0.00 -1.14 0.00 0.00 41.12 42.39 1r0u n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1r0u n GLU 109 N -0.27 0.08 -0.10 0.11 0.00 -1.26 -3.09 120.64 116.11 1r0u n GLU 109 Ca -0.01 0.07 -0.10 0.00 0.00 0.00 0.00 57.16 57.12 1r0u n GLU 109 Cb 0.28 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.06 1r0u n GLU 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1r0u n GLU 110 N -1.45 0.76 -3.52 3.44 1.02 -1.26 -4.34 120.64 115.28 1r0u n GLU 110 Ca 0.07 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1r0u n GLU 110 Cb 0.27 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 1r0u n GLU 110 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1r0u s LYS 111 N -2.48 0.72 0.07 3.49 -2.85 -1.18 -0.65 119.74 116.87 1r0u s LYS 111 Ca -0.10 -0.26 -0.27 0.00 -1.00 0.00 0.00 55.97 54.34 1r0u s LYS 111 Cb 0.06 0.33 0.08 0.00 -2.06 0.00 0.00 37.83 36.24 1r0u s LYS 111 CO 0.81 -0.31 0.98 0.20 0.10 0.00 0.00 175.35 177.12 1r0u s GLY 112 N -2.42 -0.33 -0.12 0.59 0.00 -0.88 -1.76 107.32 102.41 1r0u s GLY 112 Ca 0.06 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 1r0u s GLY 112 CO -0.08 0.14 0.29 -1.60 0.00 0.00 0.00 173.10 171.84 1r0u s ARG 113 N -3.12 0.29 -0.09 2.90 3.52 -0.42 -1.70 118.95 120.32 1r0u s ARG 113 Ca 0.10 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 56.24 1r0u s ARG 113 Cb -0.01 0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 1r0u s ARG 113 CO -0.02 -0.11 -0.16 0.42 -0.81 0.00 0.00 175.30 174.61 1r0u s ILE 114 N 0.81 1.52 -0.11 4.11 1.01 0.45 -1.29 121.20 127.70 1r0u s ILE 114 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1r0u s ILE 114 Cb -0.07 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1r0u s ILE 114 CO -0.05 0.44 -0.16 -0.55 0.00 0.00 0.00 174.94 174.62 1r0u s SER 115 N 0.71 2.51 -0.08 3.58 0.15 0.53 -0.50 113.70 120.60 1r0u s SER 115 Ca -0.12 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1r0u s SER 115 Cb -0.16 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.04 1r0u s SER 115 CO 0.03 0.03 -0.09 -0.63 1.20 0.00 0.00 173.24 173.78 1r0u s ILE 116 N 0.91 0.99 -0.22 6.45 1.01 0.11 -0.70 121.20 129.75 1r0u s ILE 116 Ca -0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1r0u s ILE 116 Cb -0.15 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1r0u s ILE 116 CO -0.01 0.34 0.08 0.00 0.00 0.00 0.00 174.94 175.35 1r0u s ALA 117 N 1.13 3.33 0.13 9.38 0.00 -0.60 -0.88 121.76 134.24 1r0u s ALA 117 Ca -0.06 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 1r0u s ALA 117 Cb -0.14 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.98 1r0u s ALA 117 CO -0.02 -0.15 0.46 1.52 0.00 0.00 0.00 175.76 177.57 1r0u s TYR 118 N 1.00 -0.31 -0.07 0.00 -0.85 -0.25 -0.52 117.35 116.34 1r0u s TYR 118 Ca 0.04 0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 1r0u s TYR 118 Cb -0.14 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 1r0u s TYR 118 CO 0.03 -0.74 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.72 1r0u s ASP 119 N -2.72 4.39 0.16 -0.18 1.01 0.18 -0.36 116.67 119.15 1r0u s ASP 119 Ca 0.02 -0.12 0.08 0.00 0.71 0.00 0.00 52.55 53.24 1r0u s ASP 119 Cb 0.01 -1.14 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 1r0u s ASP 119 CO -0.11 0.33 -0.07 -0.04 0.21 0.00 0.00 175.17 175.49 1r0u s MET 120 N -0.60 2.19 -0.10 8.23 -1.94 -0.58 -0.72 119.30 125.78 1r0u s MET 120 Ca 0.09 -1.16 -0.31 0.00 -1.71 0.00 0.00 55.69 52.59 1r0u s MET 120 Cb -0.12 -2.26 0.12 0.00 2.01 0.00 0.00 34.83 34.59 1r0u s MET 120 CO 0.02 0.46 1.04 -3.38 -0.01 0.00 0.00 175.02 173.14 1r0u s HIS 121 N -1.61 -0.26 0.01 -0.03 -3.43 -0.85 -3.17 115.29 105.96 1r0u s HIS 121 Ca 0.25 0.22 -0.14 0.00 -0.80 0.00 0.00 55.06 54.60 1r0u s HIS 121 Cb -0.09 0.51 -0.34 0.00 -1.43 0.00 0.00 32.58 31.23 1r0u s HIS 121 CO 0.16 -0.37 0.92 0.28 -2.00 0.00 0.00 174.74 173.72 1r0u h VAL 122 N 2.09 1.20 0.00 -5.38 2.07 -1.88 -1.97 116.25 112.38 1r0u h VAL 122 Ca -0.16 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1r0u h VAL 122 Cb 1.20 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1r0u h VAL 122 CO 0.28 0.83 0.00 0.61 0.02 0.00 0.00 177.57 179.30 1r0u n GLY 123 N 1.74 0.78 0.00 2.17 0.00 -1.26 -4.88 105.19 103.74 1r0u n GLY 123 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1r0u n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r0u n HIS 128 N 8.19 0.00 -3.04 1.61 8.25 -1.19 -5.21 115.22 123.83 1r0u n HIS 128 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1r0u n HIS 128 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1r0u n HIS 128 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1r0u s LEU 129 N 0.00 4.25 -0.02 2.41 0.05 -0.37 -1.53 118.68 123.47 1r0u s LEU 129 Ca 0.00 1.09 0.06 0.00 0.05 0.00 0.00 54.13 55.33 1r0u s LEU 129 Cb 0.00 -3.06 -0.01 0.00 -2.05 0.00 0.00 46.19 41.07 1r0u s LEU 129 CO 0.00 -0.20 -0.20 -1.00 -0.55 0.00 0.00 176.35 174.39 1r0u s HIS 130 N 1.31 1.86 -0.23 3.48 3.76 0.51 -0.94 115.29 125.04 1r0u s HIS 130 Ca 0.35 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1r0u s HIS 130 Cb -0.17 -1.21 0.06 0.00 1.11 0.00 0.00 32.58 32.37 1r0u s HIS 130 CO 0.15 -0.06 -0.05 -0.80 -0.85 0.00 0.00 174.74 173.13 1r0u s ASN 131 N -0.39 3.82 -0.14 1.40 0.01 0.13 -1.09 114.94 118.68 1r0u s ASN 131 Ca 0.05 -1.17 -0.03 0.00 -0.71 0.00 0.00 52.86 51.01 1r0u s ASN 131 Cb -0.09 -1.15 -0.02 0.00 0.41 0.00 0.00 41.25 40.39 1r0u s ASN 131 CO -0.00 -0.24 -0.06 -0.32 -1.51 0.00 0.00 177.10 174.97 1r0u s MET 132 N 1.41 3.53 -0.14 -0.60 -2.45 -0.06 -0.88 119.30 120.12 1r0u s MET 132 Ca -0.05 -0.56 0.01 0.00 -1.25 0.00 0.00 55.69 53.84 1r0u s MET 132 Cb -0.19 -2.82 0.02 0.00 1.25 0.00 0.00 34.83 33.09 1r0u s MET 132 CO -0.06 0.27 -0.15 0.99 1.05 0.00 0.00 175.02 177.12 1r0u s THR 133 N 0.25 1.59 -0.25 10.11 2.01 0.48 -0.71 115.64 129.13 1r0u s THR 133 Ca -0.04 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 1r0u s THR 133 Cb -0.14 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1r0u s THR 133 CO 0.03 0.46 0.06 -0.63 -0.69 0.00 0.00 174.62 173.86 1r0u s ILE 134 N 1.31 4.17 0.16 1.82 1.01 0.35 -0.91 121.20 129.11 1r0u s ILE 134 Ca 0.01 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.50 1r0u s ILE 134 Cb -0.13 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1r0u s ILE 134 CO -0.08 0.32 -0.22 0.42 0.00 0.00 0.00 174.94 175.38 1r0u s THR 135 N 1.59 2.05 0.13 2.92 -4.23 -0.04 -0.41 115.64 117.64 1r0u s THR 135 Ca 0.06 -1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1r0u s THR 135 Cb -0.15 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1r0u s THR 135 CO 0.03 -0.14 0.32 -0.72 -0.54 0.00 0.00 174.62 173.57 1r0u s TYR 136 N -1.60 0.02 -0.01 3.99 -0.85 -0.69 -0.60 117.35 117.61 1r0u s TYR 136 Ca 0.15 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.34 1r0u s TYR 136 Cb -0.08 0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.37 1r0u s TYR 136 CO 0.07 -0.67 -0.08 -1.21 -1.52 0.00 0.00 175.55 172.14 1r0u s GLU 137 N -3.86 0.72 0.42 -3.49 2.02 -0.52 -2.08 118.70 111.92 1r0u s GLU 137 Ca 0.06 -0.27 -0.26 0.00 0.02 0.00 0.00 54.97 54.53 1r0u s GLU 137 Cb 0.03 -0.70 -0.10 0.00 0.10 0.00 0.00 34.13 33.47 1r0u s GLU 137 CO -0.09 0.13 1.36 0.41 0.02 0.00 0.00 175.26 177.10 1r0u n GLY 138 N 3.08 0.81 0.00 -1.39 0.00 0.18 -0.90 105.19 106.97 1r0u n GLY 138 Ca -0.15 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1r0u n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r0u n GLY 139 N 0.67 2.81 1.75 -0.02 0.00 -0.80 -4.78 105.19 104.81 1r0u n GLY 139 Ca 0.05 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1r0u n GLY 139 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73