#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njj s LEU 7 N 0.00 4.05 -0.28 0.99 1.43 -1.24 -4.97 118.68 118.66 3njj s LEU 7 Ca 0.00 0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3njj s LEU 7 Cb 0.00 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.22 3njj s LEU 7 CO 0.00 0.38 0.03 0.00 0.23 0.00 0.00 176.35 176.99 3njj s ALA 8 N -1.01 2.93 0.04 4.21 0.00 -1.26 -1.38 121.76 125.29 3njj s ALA 8 Ca 0.16 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3njj s ALA 8 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 3njj s ALA 8 CO 0.05 -0.91 0.10 -0.65 0.00 0.00 0.00 175.76 174.36 3njj s GLN 9 N 1.43 3.07 -0.07 0.00 -0.21 -0.63 -5.00 119.66 118.25 3njj s GLN 9 Ca 0.01 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.84 3njj s GLN 9 Cb -0.17 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.02 3njj s GLN 9 CO -0.00 0.61 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.68 3njj s PHE 10 N -1.33 0.95 -0.02 0.91 0.08 -1.26 -0.65 117.98 116.66 3njj s PHE 10 Ca 0.27 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 57.03 3njj s PHE 10 Cb -0.12 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 3njj s PHE 10 CO 0.19 -0.31 -0.13 0.42 -0.10 0.00 0.00 175.22 175.29 3njj s ILE 11 N 1.38 1.08 -0.17 0.64 -1.09 -0.19 -4.01 121.20 118.83 3njj s ILE 11 Ca -0.03 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 3njj s ILE 11 Cb -0.13 -0.91 -0.05 0.00 -1.58 0.00 0.00 42.46 39.78 3njj s ILE 11 CO -0.03 0.31 0.23 -0.54 -1.23 0.00 0.00 174.94 173.68 3njj s LYS 12 N -0.15 4.20 -0.63 2.79 1.02 -0.39 -1.62 119.74 124.95 3njj s LYS 12 Ca 0.02 -0.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.85 3njj s LYS 12 Cb -0.07 -3.41 0.16 0.00 -0.52 0.00 0.00 37.83 33.99 3njj s LYS 12 CO 0.00 0.28 0.56 0.08 -0.92 0.00 0.00 175.35 175.36 3njj s VAL 13 N 0.36 5.08 -0.13 3.17 1.01 0.84 -1.23 120.40 129.50 3njj s VAL 13 Ca 0.13 -1.99 -0.20 0.00 0.00 0.00 0.00 61.98 59.93 3njj s VAL 13 Cb -0.12 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3njj s VAL 13 CO 0.02 -0.91 0.55 0.20 0.00 0.00 0.00 175.10 174.95 3njj s ASN 14 N 2.74 6.73 -0.16 3.32 0.01 0.17 -0.48 114.94 127.26 3njj s ASN 14 Ca 0.10 0.87 0.01 0.00 -0.71 0.00 0.00 52.86 53.13 3njj s ASN 14 Cb -0.22 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.13 3njj s ASN 14 CO -0.02 -0.08 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.60 3njj s VAL 15 N 0.97 2.21 0.42 1.60 1.01 -0.48 -0.42 120.40 125.71 3njj s VAL 15 Ca 0.28 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3njj s VAL 15 Cb -0.16 -1.91 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 3njj s VAL 15 CO 0.12 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.24 3njj s THR 16 N 1.05 2.05 -0.11 3.92 -4.23 -0.53 -0.38 115.64 117.42 3njj s THR 16 Ca -0.01 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3njj s THR 16 Cb -0.14 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3njj s THR 16 CO -0.06 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.21 3njj s LEU 17 N -3.79 3.24 -0.07 4.79 1.43 -1.26 -0.32 118.68 122.70 3njj s LEU 17 Ca 0.36 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3njj s LEU 17 Cb 0.07 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3njj s LEU 17 CO 0.19 0.28 -0.07 -1.61 0.23 0.00 0.00 176.35 175.36 3njj s GLU 18 N -0.31 1.28 -1.42 1.70 2.02 -0.24 -4.77 118.70 116.96 3njj s GLU 18 Ca 0.05 -0.23 -0.10 0.00 0.02 0.00 0.00 54.97 54.72 3njj s GLU 18 Cb -0.13 -1.24 0.06 0.00 0.10 0.00 0.00 34.13 32.93 3njj s GLU 18 CO 0.02 -0.11 0.66 0.09 0.02 0.00 0.00 175.26 175.94 3njj n ASN 19 N 4.31 -4.62 0.00 -0.19 3.02 -1.26 -1.87 115.26 114.65 3njj n ASN 19 Ca -0.19 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3njj n ASN 19 Cb 0.51 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 3njj n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njj n GLY 20 N -1.41 0.82 3.25 7.41 0.00 -1.26 -5.02 105.19 108.99 3njj n GLY 20 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 3njj n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3njj s GLU 21 N -0.06 1.04 0.35 1.61 0.41 -0.78 -5.04 118.70 116.23 3njj s GLU 21 Ca 0.00 -1.22 -0.28 0.00 -0.41 0.00 0.00 54.97 53.06 3njj s GLU 21 Cb 0.00 -0.98 -0.10 0.00 -1.78 0.00 0.00 34.13 31.27 3njj s GLU 21 CO 0.00 0.20 1.34 -2.14 -0.49 0.00 0.00 175.26 174.17 3njj s PRO 22 N -2.53 4.25 -0.10 0.39 0.02 -1.26 -1.08 135.00 134.68 3njj s PRO 22 Ca 0.08 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3njj s PRO 22 Cb -0.06 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.48 3njj s PRO 22 CO 0.03 -0.30 -0.14 0.08 -0.33 0.00 0.00 177.00 176.34 3njj s VAL 23 N -1.16 1.43 -0.25 3.83 1.01 0.56 -4.86 120.40 120.97 3njj s VAL 23 Ca 0.51 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3njj s VAL 23 Cb -0.41 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3njj s VAL 23 CO 0.54 0.43 0.15 -0.36 0.00 0.00 0.00 175.10 175.86 3njj s PHE 24 N 1.00 3.24 -0.19 5.22 0.08 -1.26 -1.45 117.98 124.62 3njj s PHE 24 Ca -0.07 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.07 3njj s PHE 24 Cb -0.15 -2.29 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 3njj s PHE 24 CO -0.01 -0.07 -0.12 0.42 -0.10 0.00 0.00 175.22 175.33 3njj s ILE 25 N 1.35 1.65 -0.00 0.64 1.01 0.44 -4.98 121.20 121.30 3njj s ILE 25 Ca 0.07 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 3njj s ILE 25 Cb -0.15 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 3njj s ILE 25 CO 0.06 0.26 0.60 -0.31 0.00 0.00 0.00 174.94 175.56 3njj s TYR 26 N 1.41 3.68 0.10 3.97 2.02 -1.25 -0.66 117.35 126.62 3njj s TYR 26 Ca 0.01 1.21 0.09 0.00 -0.37 0.00 0.00 57.07 58.01 3njj s TYR 26 Cb -0.15 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 3njj s TYR 26 CO -0.09 0.34 -0.23 0.95 -1.57 0.00 0.00 175.55 174.95 3njj s THR 27 N -0.15 1.93 0.47 -0.71 -4.23 -0.37 -1.05 115.64 111.53 3njj s THR 27 Ca 0.31 -1.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 3njj s THR 27 Cb -0.18 -1.73 0.08 0.00 1.34 0.00 0.00 72.50 72.02 3njj s THR 27 CO 0.17 0.05 0.64 -0.90 -0.54 0.00 0.00 174.62 174.04 3njj n ASP 28 N 1.14 1.33 0.15 3.99 5.68 -0.40 -1.27 116.55 127.17 3njj n ASP 28 Ca -0.19 -2.01 0.13 0.00 -0.50 0.00 0.00 54.79 52.22 3njj n ASP 28 Cb 0.53 -0.37 0.54 0.00 -1.14 0.00 0.00 41.12 40.67 3njj n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3njj h ALA 29 N -0.08 1.00 -0.17 2.12 0.00 -1.90 -0.99 119.26 119.23 3njj h ALA 29 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3njj h ALA 29 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3njj h ALA 29 CO 0.27 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.61 3njj n ASN 30 N -2.35 1.57 -0.01 0.00 3.02 -1.26 -4.93 115.26 111.31 3njj n ASN 30 Ca 0.01 -1.72 -0.00 0.00 -0.03 0.00 0.00 54.58 52.84 3njj n ASN 30 Cb 0.21 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3njj n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njj n GLY 31 N 1.10 0.47 3.77 7.41 0.00 -0.37 -5.01 105.19 112.54 3njj n GLY 31 Ca 0.15 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3njj n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3njj s GLN 32 N -0.24 4.29 0.20 1.61 -0.21 -1.26 -4.80 119.66 119.25 3njj s GLN 32 Ca 0.00 0.70 -0.33 0.00 0.02 0.00 0.00 55.36 55.75 3njj s GLN 32 Cb 0.00 -3.34 -0.14 0.00 1.00 0.00 0.00 33.01 30.53 3njj s GLN 32 CO 0.00 0.38 1.46 0.28 -2.12 0.00 0.00 175.29 175.29 3njj n VAL 33 N 2.72 0.50 -3.84 1.09 0.31 -1.26 -1.28 118.33 116.58 3njj n VAL 33 Ca -0.07 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3njj n VAL 33 Cb 0.51 -1.44 -0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3njj n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3njj n GLN 35 N -0.00 1.17 -0.93 0.00 1.13 -1.26 -3.96 117.38 113.53 3njj n GLN 35 Ca 0.00 -0.92 0.00 0.00 -1.94 0.00 0.00 57.00 54.14 3njj n GLN 35 Cb 0.00 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.87 3njj n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3njj n GLY 36 N 1.40 0.37 3.77 1.08 0.00 -1.26 -4.93 105.19 105.62 3njj n GLY 36 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3njj n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3njj s ASP 37 N -2.18 6.04 -0.01 1.61 1.01 -1.26 -5.07 116.67 116.82 3njj s ASP 37 Ca 0.00 2.21 0.01 0.00 0.71 0.00 0.00 52.55 55.48 3njj s ASP 37 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3njj s ASP 37 CO 0.00 -1.00 -0.04 -0.63 0.21 0.00 0.00 175.17 173.71 3njj s ILE 38 N -1.67 0.35 -0.17 0.77 -1.09 -1.26 -5.13 121.20 113.00 3njj s ILE 38 Ca 0.67 -0.16 -0.07 0.00 -2.23 0.00 0.00 60.65 58.87 3njj s ILE 38 Cb -0.25 -0.31 -0.04 0.00 -1.58 0.00 0.00 42.46 40.27 3njj s ILE 38 CO 0.30 0.11 0.06 -0.89 -1.23 0.00 0.00 174.94 173.29 3njj s THR 39 N 0.08 4.80 -0.22 2.92 2.01 -1.26 -5.09 115.64 118.88 3njj s THR 39 Ca -0.00 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 3njj s THR 39 Cb -0.04 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 3njj s THR 39 CO -0.00 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.69 3njj s VAL 40 N 0.10 3.37 -1.15 3.82 1.01 -1.26 -4.96 120.40 121.32 3njj s VAL 40 Ca 0.05 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.61 3njj s VAL 40 Cb -0.12 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.76 3njj s VAL 40 CO 0.01 0.40 0.75 0.35 0.00 0.00 0.00 175.10 176.61 3njj n THR 41 N 4.79 0.00 -3.78 3.92 -2.24 -1.26 -5.00 114.28 110.71 3njj n THR 41 Ca -0.18 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 3njj n THR 41 Cb 0.51 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 3njj n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njj s GLN 42 N -1.03 1.60 0.16 -0.78 -2.07 -1.26 -5.12 119.66 111.15 3njj s GLN 42 Ca 0.11 -0.91 -0.34 0.00 -1.82 0.00 0.00 55.36 52.39 3njj s GLN 42 Cb 0.08 0.57 -0.15 0.00 -1.09 0.00 0.00 33.01 32.43 3njj s GLN 42 CO 0.17 -0.71 1.44 0.00 -1.32 0.00 0.00 175.29 174.87 3njj n ALA 43 N -0.41 0.48 -3.00 2.60 0.00 -1.25 -4.71 120.51 114.23 3njj n ALA 43 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3njj n ALA 43 Cb 0.61 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3njj n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3njj n GLY 44 N 2.78 0.89 3.25 0.00 0.00 -0.07 -3.65 105.19 108.40 3njj n GLY 44 Ca 0.16 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 3njj n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3njj s THR 45 N -2.28 1.32 -0.10 2.61 -4.23 -0.48 -1.44 115.64 111.04 3njj s THR 45 Ca 0.00 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3njj s THR 45 Cb 0.00 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.25 3njj s THR 45 CO 0.00 -0.48 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.85 3njj s ILE 46 N -2.39 1.25 -0.18 2.99 1.01 -0.65 -1.60 121.20 121.64 3njj s ILE 46 Ca 0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3njj s ILE 46 Cb -0.03 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3njj s ILE 46 CO 0.03 0.39 -0.09 -0.89 0.00 0.00 0.00 174.94 174.38 3njj s THR 47 N 1.12 3.11 -0.21 2.92 2.01 0.17 -0.04 115.64 124.72 3njj s THR 47 Ca -0.05 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 3njj s THR 47 Cb -0.14 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3njj s THR 47 CO -0.02 0.48 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.05 3njj s TYR 48 N 1.01 2.99 -0.21 4.92 2.02 0.02 -1.02 117.35 127.08 3njj s TYR 48 Ca -0.01 -0.66 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3njj s TYR 48 Cb -0.15 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 3njj s TYR 48 CO -0.01 -0.37 0.02 -1.17 -1.57 0.00 0.00 175.55 172.46 3njj s LEU 49 N 1.18 3.35 -0.07 -1.29 2.96 -0.64 -1.95 118.68 122.22 3njj s LEU 49 Ca 0.03 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 3njj s LEU 49 Cb -0.14 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3njj s LEU 49 CO 0.00 0.04 1.01 -0.22 -1.32 0.00 0.00 176.35 175.86 3njj s LEU 50 N 1.13 4.29 -0.52 -0.68 2.96 0.13 -0.11 118.68 125.89 3njj s LEU 50 Ca 0.03 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.57 3njj s LEU 50 Cb -0.14 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.11 3njj s LEU 50 CO 0.02 -0.39 0.26 0.21 -1.32 0.00 0.00 176.35 175.13 3njj s ASN 51 N 1.08 4.34 -0.41 3.68 2.47 0.36 -4.92 114.94 121.54 3njj s ASN 51 Ca 0.50 -2.99 -0.25 0.00 0.42 0.00 0.00 52.86 50.54 3njj s ASN 51 Cb -0.20 -1.64 0.02 0.00 -1.45 0.00 0.00 41.25 37.98 3njj s ASN 51 CO 0.22 -0.24 0.89 -0.62 -3.72 0.00 0.00 177.10 173.63 3njj s ASP 52 N -0.24 6.55 -0.19 -4.21 2.15 -1.26 -1.38 116.67 118.08 3njj s ASP 52 Ca 0.17 0.28 0.16 0.00 0.43 0.00 0.00 52.55 53.59 3njj s ASP 52 Cb -0.26 -2.44 0.49 0.00 -0.30 0.00 0.00 42.92 40.41 3njj s ASP 52 CO -0.00 -0.92 1.38 0.00 -0.17 0.00 0.00 175.17 175.46 3njj n GLN 53 N 6.87 2.43 0.13 4.34 1.13 0.49 -4.66 117.38 128.12 3njj n GLN 53 Ca 0.06 -2.87 0.12 0.00 -1.94 0.00 0.00 57.00 52.37 3njj n GLN 53 Cb 0.48 -1.78 0.07 0.00 0.11 0.00 0.00 30.24 29.13 3njj n GLN 53 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3njj h THR 54 N 1.34 0.00 -0.38 5.09 1.35 -1.88 -3.42 112.91 115.01 3njj h THR 54 Ca 0.04 -0.93 -0.16 0.00 -0.55 0.00 0.00 66.41 64.81 3njj h THR 54 Cb 1.41 1.59 -0.06 0.00 -1.73 0.00 0.00 68.15 69.35 3njj h THR 54 CO 0.22 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.52 3njj n LEU 55 N -2.72 -0.16 -1.24 3.87 4.77 -1.26 -4.87 117.00 115.39 3njj n LEU 55 Ca 0.02 0.20 0.09 0.00 -0.03 0.00 0.00 56.01 56.28 3njj n LEU 55 Cb 0.53 -2.24 0.29 0.00 -2.33 0.00 0.00 43.42 39.68 3njj n LEU 55 CO 0.38 -0.83 0.75 0.29 -1.33 0.00 0.00 177.39 176.65 3njj n LYS 56 N -1.10 3.21 -3.16 3.23 4.76 -1.26 -4.98 118.16 118.87 3njj n LYS 56 Ca -0.08 -2.64 -0.17 0.00 -2.87 0.00 0.00 58.31 52.55 3njj n LYS 56 Cb 0.47 -1.66 0.05 0.00 -1.84 0.00 0.00 35.03 32.05 3njj n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3njj n GLY 57 N 0.95 -0.16 3.76 0.72 0.00 -1.26 -0.69 105.19 108.50 3njj n GLY 57 Ca 0.22 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3njj n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njj s LEU 58 N -5.46 4.42 -0.01 0.99 1.43 -1.26 -3.77 118.68 115.02 3njj s LEU 58 Ca 0.37 2.63 0.01 0.00 -1.03 0.00 0.00 54.13 56.11 3njj s LEU 58 Cb -0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3njj s LEU 58 CO 0.46 -0.56 -0.03 -0.54 0.23 0.00 0.00 176.35 175.91 3njj s LYS 59 N -1.17 0.26 0.30 1.70 1.02 -0.79 -4.96 119.74 116.11 3njj s LYS 59 Ca 0.53 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.13 3njj s LYS 59 Cb -0.40 -0.28 -0.11 0.00 -0.52 0.00 0.00 37.83 36.53 3njj s LYS 59 CO 0.48 0.04 1.48 -0.06 -0.92 0.00 0.00 175.35 176.37 3njj s PHE 60 N 0.06 2.85 -0.23 3.18 0.08 0.24 -0.95 117.98 123.21 3njj s PHE 60 Ca -0.00 1.03 0.07 0.00 0.12 0.00 0.00 56.93 58.14 3njj s PHE 60 Cb -0.03 -3.92 -0.08 0.00 -0.57 0.00 0.00 43.02 38.42 3njj s PHE 60 CO -0.00 -2.92 0.24 1.33 -0.10 0.00 0.00 175.22 173.77 3njj n VAL 61 N 1.71 0.00 -3.25 -0.44 0.24 0.64 -4.52 118.33 112.71 3njj n VAL 61 Ca 0.05 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3njj n VAL 61 Cb 0.39 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 3njj n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3njj n GLY 62 N 1.40 -1.51 2.95 7.63 0.00 -1.10 -5.02 105.19 109.55 3njj n GLY 62 Ca 0.01 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 3njj n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njj s VAL 63 N -2.86 1.07 0.02 1.61 1.01 -1.26 -1.67 120.40 118.32 3njj s VAL 63 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3njj s VAL 63 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3njj s VAL 63 CO 0.00 0.36 0.07 -0.83 0.00 0.00 0.00 175.10 174.70 3njj s GLY 64 N 1.30 1.99 -0.02 4.51 0.00 0.48 -4.96 107.32 110.62 3njj s GLY 64 Ca -0.03 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3njj s GLY 64 CO -0.04 -0.83 -0.05 -1.36 0.00 0.00 0.00 173.10 170.82 3njj s PHE 65 N -1.23 0.62 -0.25 1.90 0.08 -1.26 -0.84 117.98 117.00 3njj s PHE 65 Ca 0.24 -0.14 0.23 0.00 0.12 0.00 0.00 56.93 57.39 3njj s PHE 65 Cb -0.12 -0.50 0.52 0.00 -0.57 0.00 0.00 43.02 42.35 3njj s PHE 65 CO 0.16 -0.10 1.66 -0.39 -0.10 0.00 0.00 175.22 176.45 3njj h VAL 66 N 5.65 0.20 -2.20 -0.44 -1.51 -2.00 -3.32 116.25 112.63 3njj h VAL 66 Ca -0.35 -1.14 -0.59 0.00 -1.23 0.00 0.00 66.70 63.39 3njj h VAL 66 Cb 1.17 1.97 -0.42 0.00 -2.13 0.00 0.00 31.29 31.88 3njj h VAL 66 CO 0.49 0.11 -0.69 0.35 -1.23 0.00 0.00 177.57 176.59 3njj n THR 67 N -3.15 2.18 0.41 7.19 -2.24 -1.26 -4.95 114.28 112.46 3njj n THR 67 Ca 0.03 -5.20 0.09 0.00 -2.27 0.00 0.00 64.05 56.70 3njj n THR 67 Cb 0.52 -1.74 0.40 0.00 -2.10 0.00 0.00 70.33 67.41 3njj n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3njj n PRO 68 N 0.49 0.10 -0.57 -0.78 -0.04 -1.25 -2.60 135.00 130.35 3njj n PRO 68 Ca 0.29 0.37 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 3njj n PRO 68 Cb 0.43 -1.71 0.30 0.00 -0.04 0.00 0.00 33.50 32.48 3njj n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3njj n PHE 69 N -1.91 1.28 0.57 0.54 3.72 -1.26 -4.59 117.46 115.82 3njj n PHE 69 Ca 0.02 -0.77 0.12 0.00 -0.05 0.00 0.00 57.45 56.77 3njj n PHE 69 Cb 0.19 -0.34 0.45 0.00 -0.94 0.00 0.00 39.48 38.84 3njj n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3njj n ASP 70 N 0.09 0.61 0.00 4.37 5.68 -1.07 -4.92 116.55 121.31 3njj n ASP 70 Ca 0.23 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 55.11 3njj n ASP 70 Cb 0.94 -0.75 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3njj n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njj n GLY 71 N 0.74 0.88 0.09 6.12 0.00 -1.26 -4.92 105.19 106.83 3njj n GLY 71 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3njj n GLY 71 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3njj h ILE 72 N 0.00 1.37 -3.45 -0.61 1.08 -1.91 -3.41 117.51 110.58 3njj h ILE 72 Ca 0.00 -1.25 -0.62 0.00 -0.39 0.00 0.00 64.86 62.60 3njj h ILE 72 Cb 0.00 2.04 -0.17 0.00 -3.07 0.00 0.00 36.82 35.62 3njj h ILE 72 CO 0.00 0.35 -0.57 -0.63 -0.69 0.00 0.00 178.15 176.61 3njj s ILE 73 N -4.24 4.79 0.06 -0.67 -1.09 -1.26 -4.67 121.20 114.12 3njj s ILE 73 Ca -0.15 -0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.12 3njj s ILE 73 Cb 0.03 -3.20 -0.27 0.00 -1.58 0.00 0.00 42.46 37.44 3njj s ILE 73 CO 0.71 0.40 1.13 -0.78 -1.23 0.00 0.00 174.94 175.18 3njj h ASP 74 N 7.24 0.83 -4.92 3.58 3.58 -1.30 -3.49 116.42 121.95 3njj h ASP 74 Ca -0.37 -0.75 -0.00 0.00 0.42 0.00 0.00 57.03 56.32 3njj h ASP 74 Cb 1.17 -0.26 -0.14 0.00 1.72 0.00 0.00 39.33 41.82 3njj h ASP 74 CO 0.66 1.56 0.26 0.00 -2.88 0.00 0.00 179.24 178.84 3njj s ALA 75 N -3.02 -1.67 -0.05 -0.78 0.00 -1.18 -5.00 121.76 110.06 3njj s ALA 75 Ca -0.09 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.65 3njj s ALA 75 Cb 0.06 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 3njj s ALA 75 CO 0.92 -0.68 -0.18 0.08 0.00 0.00 0.00 175.76 175.91 3njj s VAL 76 N -3.16 1.51 0.20 0.00 1.01 -1.26 -1.06 120.40 117.65 3njj s VAL 76 Ca -0.00 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.33 3njj s VAL 76 Cb -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3njj s VAL 76 CO -0.08 0.43 -0.22 0.42 0.00 0.00 0.00 175.10 175.65 3njj s THR 77 N 0.06 2.24 -0.00 3.92 -4.23 0.00 -4.98 115.64 112.65 3njj s THR 77 Ca -0.05 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 3njj s THR 77 Cb -0.12 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 3njj s THR 77 CO 0.03 -0.22 0.02 -0.51 -0.54 0.00 0.00 174.62 173.40 3njj s ILE 78 N -1.94 0.03 0.52 2.99 2.07 -1.26 -0.80 121.20 122.81 3njj s ILE 78 Ca 0.21 -0.25 -0.10 0.00 -1.41 0.00 0.00 60.65 59.11 3njj s ILE 78 Cb -0.07 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.35 3njj s ILE 78 CO 0.10 -0.14 0.90 -0.94 -1.91 0.00 0.00 174.94 172.96 3njj s SER 79 N -0.40 6.36 0.54 4.50 1.04 -0.55 -4.96 113.70 120.22 3njj s SER 79 Ca -0.04 1.24 0.29 0.00 0.48 0.00 0.00 55.95 57.92 3njj s SER 79 Cb -0.03 -2.38 1.51 0.00 0.10 0.00 0.00 66.02 65.22 3njj s SER 79 CO -0.00 -0.65 2.08 0.77 0.98 0.00 0.00 173.24 176.42 3njj h SER 80 N 0.33 0.00 -0.17 7.02 4.64 -1.99 -1.35 113.55 122.03 3njj h SER 80 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3njj h SER 80 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3njj h SER 80 CO 0.62 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.78 3njj n ASP 81 N -3.54 2.46 -1.03 4.97 5.68 -1.26 -4.96 116.55 118.87 3njj n ASP 81 Ca -0.02 -1.82 -0.13 0.00 -0.50 0.00 0.00 54.79 52.32 3njj n ASP 81 Cb 0.23 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.06 3njj n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njj n GLY 82 N 1.30 1.38 0.05 6.12 0.00 -0.51 -4.84 105.19 108.69 3njj n GLY 82 Ca 0.17 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3njj n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3njj n MET 83 N -2.13 0.31 -4.35 1.61 2.81 -1.26 -0.59 117.12 113.51 3njj n MET 83 Ca -0.13 0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.61 3njj n MET 83 Cb 0.50 -1.64 -0.15 0.00 -0.71 0.00 0.00 33.22 31.22 3njj n MET 83 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3njj s LEU 84 N -4.12 1.95 0.07 4.03 1.43 -1.26 -0.69 118.68 120.08 3njj s LEU 84 Ca 0.04 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 3njj s LEU 84 Cb 0.14 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 3njj s LEU 84 CO 0.77 0.09 -0.20 0.68 0.23 0.00 0.00 176.35 177.92 3njj s VAL 85 N -0.09 1.64 -0.00 -1.59 -7.23 -0.82 -1.49 120.40 110.82 3njj s VAL 85 Ca 0.02 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 3njj s VAL 85 Cb -0.05 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 3njj s VAL 85 CO -0.00 0.05 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.63 3njj s GLN 86 N -1.54 0.88 -0.12 4.82 -0.21 0.02 -0.79 119.66 122.72 3njj s GLN 86 Ca 0.06 -0.43 -0.03 0.00 0.02 0.00 0.00 55.36 54.98 3njj s GLN 86 Cb -0.09 -0.85 -0.03 0.00 1.00 0.00 0.00 33.01 33.03 3njj s GLN 86 CO 0.03 0.23 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.91 3njj s LEU 87 N -0.36 3.48 -0.21 2.90 1.43 0.95 -0.82 118.68 126.05 3njj s LEU 87 Ca 0.04 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3njj s LEU 87 Cb -0.05 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3njj s LEU 87 CO -0.00 0.28 0.19 -0.69 0.23 0.00 0.00 176.35 176.36 3njj s VAL 88 N -0.28 5.35 -0.29 -1.59 1.01 -0.22 -1.64 120.40 122.74 3njj s VAL 88 Ca 0.06 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3njj s VAL 88 Cb -0.12 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.82 3njj s VAL 88 CO 0.02 0.37 0.09 -0.62 0.00 0.00 0.00 175.10 174.96 3njj s ASP 89 N 0.77 3.79 0.04 3.32 -1.08 -0.52 -0.97 116.67 122.01 3njj s ASP 89 Ca 0.10 -1.45 0.25 0.00 -0.52 0.00 0.00 52.55 50.93 3njj s ASP 89 Cb -0.13 -0.76 1.04 0.00 -1.46 0.00 0.00 42.92 41.62 3njj s ASP 89 CO 0.03 -0.40 1.80 0.18 0.52 0.00 0.00 175.17 177.30 3njj n LEU 90 N 4.93 0.12 -3.48 -1.34 4.77 -1.26 -0.89 117.00 119.85 3njj n LEU 90 Ca -0.04 0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 56.22 3njj n LEU 90 Cb 0.43 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 3njj n LEU 90 CO 0.11 -0.10 0.19 -0.67 -1.33 0.00 0.00 177.39 175.58 3njj n ASP 91 N -1.62 -6.28 -0.06 -1.43 2.03 -1.26 -3.75 116.55 104.18 3njj n ASP 91 Ca 0.06 -0.49 -0.22 0.00 0.52 0.00 0.00 54.79 54.66 3njj n ASP 91 Cb 0.31 -4.97 -0.12 0.00 -0.72 0.00 0.00 41.12 35.62 3njj n ASP 91 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3njj n LYS 92 N -4.78 0.67 -2.79 -0.67 5.02 -1.26 -4.81 118.16 109.53 3njj n LYS 92 Ca -0.02 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.20 3njj n LYS 92 Cb 0.57 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3njj n LYS 92 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3njj s THR 93 N -2.49 4.78 0.55 -0.18 2.01 -1.26 -5.05 115.64 114.00 3njj s THR 93 Ca -0.28 1.77 -0.15 0.00 0.31 0.00 0.00 61.69 63.34 3njj s THR 93 Cb 0.08 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 3njj s THR 93 CO 0.66 -0.11 1.00 -2.16 -0.69 0.00 0.00 174.62 173.32 3njj s PRO 94 N 2.92 3.82 0.00 4.92 0.04 -1.26 -4.73 135.00 140.72 3njj s PRO 94 Ca 0.39 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3njj s PRO 94 Cb -0.15 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3njj s PRO 94 CO 0.07 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.15 3njj n GLY 95 N -1.96 0.83 3.02 0.56 0.00 -1.26 -4.99 105.19 101.38 3njj n GLY 95 Ca 0.06 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 3njj n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3njj s THR 96 N -1.76 0.59 0.09 2.61 -1.32 -1.26 -5.05 115.64 109.53 3njj s THR 96 Ca 0.00 -0.55 0.04 0.00 -1.21 0.00 0.00 61.69 59.97 3njj s THR 96 Cb 0.00 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.42 3njj s THR 96 CO 0.00 0.00 -0.11 0.28 -2.21 0.00 0.00 174.62 172.58 3njj s THR 97 N -0.52 1.00 -0.01 5.08 -1.32 -1.26 -5.03 115.64 113.57 3njj s THR 97 Ca -0.01 -1.51 0.04 0.00 -1.21 0.00 0.00 61.69 59.00 3njj s THR 97 Cb -0.05 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 3njj s THR 97 CO 0.00 -0.44 -0.12 -0.75 -2.21 0.00 0.00 174.62 171.11 3njj s LYS 98 N -2.39 2.45 0.07 7.08 2.20 -1.26 -5.12 119.74 122.77 3njj s LYS 98 Ca 0.02 -0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 54.88 3njj s LYS 98 Cb -0.06 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 3njj s LYS 98 CO 0.01 0.60 -0.03 -0.59 -0.36 0.00 0.00 175.35 174.99 3njj s PHE 99 N -0.87 0.64 -0.07 4.03 -0.12 -1.26 -4.40 117.98 115.93 3njj s PHE 99 Ca 0.14 -1.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.00 3njj s PHE 99 Cb -0.11 -0.43 0.00 0.00 -0.63 0.00 0.00 43.02 41.86 3njj s PHE 99 CO 0.04 -0.35 -0.18 -0.65 -0.05 0.00 0.00 175.22 174.04 3njj s GLN 100 N -3.92 2.10 0.44 1.99 -0.21 -0.02 -4.92 119.66 115.13 3njj s GLN 100 Ca 0.10 -0.62 -0.25 0.00 0.02 0.00 0.00 55.36 54.61 3njj s GLN 100 Cb 0.07 -1.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.29 3njj s GLN 100 CO -0.08 0.16 1.32 -0.06 -2.12 0.00 0.00 175.29 174.52 3njj s PHE 101 N 0.31 2.67 -0.13 0.91 0.08 -1.26 -0.39 117.98 120.17 3njj s PHE 101 Ca -0.11 1.38 0.02 0.00 0.12 0.00 0.00 56.93 58.34 3njj s PHE 101 Cb -0.15 -3.71 -0.00 0.00 -0.57 0.00 0.00 43.02 38.59 3njj s PHE 101 CO 0.04 -2.33 -0.19 0.08 -0.10 0.00 0.00 175.22 172.72 3njj s VAL 102 N -1.28 2.39 0.02 -0.44 1.01 -0.67 -2.09 120.40 119.34 3njj s VAL 102 Ca 0.60 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3njj s VAL 102 Cb -0.39 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3njj s VAL 102 CO 0.49 0.54 -0.09 -0.76 0.00 0.00 0.00 175.10 175.28 3njj s LEU 103 N 0.61 2.11 0.57 3.92 1.02 -0.18 -0.26 118.68 126.47 3njj s LEU 103 Ca -0.10 -0.31 -0.07 0.00 0.02 0.00 0.00 54.13 53.67 3njj s LEU 103 Cb -0.16 -0.35 -0.01 0.00 0.02 0.00 0.00 46.19 45.69 3njj s LEU 103 CO 0.03 -0.01 0.90 -0.94 0.02 0.00 0.00 176.35 176.35 3njj s SER 104 N -0.76 5.92 0.07 2.29 1.04 -0.12 -0.28 113.70 121.86 3njj s SER 104 Ca -0.01 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 3njj s SER 104 Cb -0.06 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 3njj s SER 104 CO 0.00 -0.88 -0.03 0.54 0.98 0.00 0.00 173.24 173.85 3njj s ASN 105 N -4.22 0.59 0.00 7.02 2.20 -1.26 -1.89 114.94 117.38 3njj s ASN 105 Ca 0.52 -1.03 0.25 0.00 -0.94 0.00 0.00 52.86 51.66 3njj s ASN 105 Cb -0.11 0.19 0.43 0.00 -2.00 0.00 0.00 41.25 39.77 3njj s ASN 105 CO 0.47 -0.59 1.38 0.35 -2.94 0.00 0.00 177.10 175.77 3njj n THR 106 N 0.06 0.00 0.05 0.54 -2.24 0.13 -4.23 114.28 108.59 3njj n THR 106 Ca -0.13 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 3njj n THR 106 Cb 0.61 1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 69.79 3njj n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njj h ALA 107 N 4.35 0.35 -2.98 6.98 0.00 -1.94 -3.49 119.26 122.53 3njj h ALA 107 Ca 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 54.91 53.64 3njj h ALA 107 Cb 0.77 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3njj h ALA 107 CO 0.00 1.21 0.06 0.54 0.00 0.00 0.00 179.25 181.06 3njj s ASN 108 N -6.82 0.51 -0.06 0.00 2.20 -1.26 -5.06 114.94 104.45 3njj s ASN 108 Ca -0.06 -1.36 0.20 0.00 -0.94 0.00 0.00 52.86 50.70 3njj s ASN 108 Cb 0.08 0.78 0.69 0.00 -2.00 0.00 0.00 41.25 40.79 3njj s ASN 108 CO 0.84 -1.53 1.59 0.35 -2.94 0.00 0.00 177.10 175.41 3njj n THR 109 N -0.56 1.41 -3.03 0.54 -2.24 -1.26 -4.46 114.28 104.67 3njj n THR 109 Ca -0.04 -1.08 -0.39 0.00 -2.27 0.00 0.00 64.05 60.28 3njj n THR 109 Cb 0.61 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 3njj n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3njj s LEU 110 N -1.42 4.53 0.44 3.22 1.02 -1.26 -5.05 118.68 120.16 3njj s LEU 110 Ca 0.50 1.57 -0.19 0.00 0.02 0.00 0.00 54.13 56.03 3njj s LEU 110 Cb 0.29 -3.34 -0.10 0.00 0.02 0.00 0.00 46.19 43.06 3njj s LEU 110 CO 0.29 0.17 0.94 -0.76 0.02 0.00 0.00 176.35 177.01 3njj s LEU 111 N -1.34 3.86 -0.16 1.79 1.43 -1.26 -4.40 118.68 118.60 3njj s LEU 111 Ca 0.37 1.62 -0.06 0.00 -1.03 0.00 0.00 54.13 55.03 3njj s LEU 111 Cb -0.21 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 3njj s LEU 111 CO 0.24 -0.41 0.04 -0.69 0.23 0.00 0.00 176.35 175.77 3njj s VAL 112 N -2.29 4.62 0.02 -1.59 1.01 0.61 -4.94 120.40 117.84 3njj s VAL 112 Ca 0.60 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.55 3njj s VAL 112 Cb -0.09 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3njj s VAL 112 CO 0.18 0.50 -0.19 -0.76 0.00 0.00 0.00 175.10 174.83 3njj s LEU 113 N 0.10 2.52 0.92 3.92 1.43 -1.26 -1.01 118.68 125.30 3njj s LEU 113 Ca 0.04 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 3njj s LEU 113 Cb -0.12 -1.48 0.15 0.00 0.03 0.00 0.00 46.19 44.76 3njj s LEU 113 CO 0.01 0.28 1.13 -0.94 0.23 0.00 0.00 176.35 177.07 3njj s SER 114 N -1.17 3.37 0.43 2.29 1.04 -0.89 -4.97 113.70 113.80 3njj s SER 114 Ca 0.13 0.98 -0.26 0.00 0.48 0.00 0.00 55.95 57.28 3njj s SER 114 Cb -0.10 -1.56 -0.08 0.00 0.10 0.00 0.00 66.02 64.37 3njj s SER 114 CO 0.03 -2.64 1.34 0.00 0.98 0.00 0.00 173.24 172.96 3njj s ALA 115 N -3.24 3.23 -1.79 5.32 0.00 -1.26 -4.74 121.76 119.27 3njj s ALA 115 Ca 0.64 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3njj s ALA 115 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3njj s ALA 115 CO 0.54 -0.96 0.45 -0.40 0.00 0.00 0.00 175.76 175.38