#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njg n GLY 6 N 0.00 4.53 3.71 1.08 0.00 -1.25 -4.84 105.19 108.42 3njg n GLY 6 Ca 0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 3njg n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njg s LEU 7 N 0.00 3.56 -0.21 0.99 1.43 -1.09 -4.96 118.68 118.40 3njg s LEU 7 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3njg s LEU 7 Cb 0.00 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3njg s LEU 7 CO 0.00 0.21 -0.12 0.00 0.23 0.00 0.00 176.35 176.68 3njg s ALA 8 N -1.25 2.58 -0.02 4.21 0.00 -1.26 -1.76 121.76 124.26 3njg s ALA 8 Ca 0.24 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3njg s ALA 8 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 3njg s ALA 8 CO 0.16 -0.52 0.03 -0.65 0.00 0.00 0.00 175.76 174.78 3njg s GLN 9 N 1.35 2.92 -0.12 0.00 -0.21 -0.77 -5.02 119.66 117.80 3njg s GLN 9 Ca 0.03 -0.53 -0.00 0.00 0.02 0.00 0.00 55.36 54.88 3njg s GLN 9 Cb -0.15 -2.76 0.02 0.00 1.00 0.00 0.00 33.01 31.13 3njg s GLN 9 CO -0.08 0.65 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.59 3njg s PHE 10 N -1.09 1.64 -0.05 0.91 0.08 -1.26 -0.53 117.98 117.69 3njg s PHE 10 Ca 0.19 -0.86 0.05 0.00 0.12 0.00 0.00 56.93 56.44 3njg s PHE 10 Cb -0.12 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3njg s PHE 10 CO 0.10 -0.55 -0.21 0.42 -0.10 0.00 0.00 175.22 174.88 3njg s ILE 11 N 1.66 1.73 -0.13 0.64 -1.09 0.22 -3.91 121.20 120.31 3njg s ILE 11 Ca 0.05 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.44 3njg s ILE 11 Cb -0.13 -1.47 -0.05 0.00 -1.58 0.00 0.00 42.46 39.24 3njg s ILE 11 CO -0.09 0.49 0.34 -0.75 -1.23 0.00 0.00 174.94 173.70 3njg s LYS 12 N -0.09 4.21 -0.63 2.79 2.20 -0.04 -1.45 119.74 126.73 3njg s LYS 12 Ca -0.03 0.19 -0.15 0.00 -0.36 0.00 0.00 55.97 55.63 3njg s LYS 12 Cb -0.12 -3.40 0.16 0.00 -1.51 0.00 0.00 37.83 32.96 3njg s LYS 12 CO 0.03 0.29 0.57 0.08 -0.36 0.00 0.00 175.35 175.96 3njg s VAL 13 N 0.28 5.24 -0.08 4.02 1.01 0.17 -0.90 120.40 130.14 3njg s VAL 13 Ca 0.19 -1.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.09 3njg s VAL 13 Cb -0.14 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3njg s VAL 13 CO 0.06 -0.91 0.72 0.20 0.00 0.00 0.00 175.10 175.16 3njg s ASN 14 N 3.04 6.97 -0.16 3.32 0.01 0.08 -0.36 114.94 127.85 3njg s ASN 14 Ca 0.08 1.17 0.01 0.00 -0.71 0.00 0.00 52.86 53.42 3njg s ASN 14 Cb -0.23 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.03 3njg s ASN 14 CO -0.01 -0.16 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.54 3njg s VAL 15 N 1.02 1.91 0.40 1.60 1.01 -0.14 -0.64 120.40 125.57 3njg s VAL 15 Ca 0.37 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3njg s VAL 15 Cb -0.18 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.41 3njg s VAL 15 CO 0.17 0.52 0.05 0.42 0.00 0.00 0.00 175.10 176.26 3njg s THR 16 N 1.18 2.15 -0.15 3.92 -4.23 -0.52 -0.06 115.64 117.92 3njg s THR 16 Ca 0.01 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3njg s THR 16 Cb -0.14 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 3njg s THR 16 CO -0.09 -0.03 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.19 3njg s LEU 17 N -3.76 3.37 -0.05 4.79 1.43 -1.26 -0.19 118.68 123.01 3njg s LEU 17 Ca 0.37 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3njg s LEU 17 Cb 0.07 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3njg s LEU 17 CO 0.19 0.19 -0.05 -1.61 0.23 0.00 0.00 176.35 175.30 3njg s GLU 18 N 0.25 0.94 -1.57 1.70 0.41 0.52 -4.76 118.70 116.19 3njg s GLU 18 Ca -0.02 -0.13 -0.12 0.00 -0.41 0.00 0.00 54.97 54.30 3njg s GLU 18 Cb -0.14 -0.94 0.09 0.00 -1.78 0.00 0.00 34.13 31.37 3njg s GLU 18 CO 0.02 -0.09 0.71 0.09 -0.49 0.00 0.00 175.26 175.51 3njg n ASN 19 N 4.13 -2.64 0.00 -0.19 3.02 -1.26 -1.86 115.26 116.46 3njg n ASN 19 Ca -0.23 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3njg n ASN 19 Cb 0.51 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 3njg n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njg n GLY 20 N -1.64 0.57 3.27 7.41 0.00 -1.26 -5.00 105.19 108.54 3njg n GLY 20 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3njg n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3njg s GLU 21 N -0.38 1.10 0.43 1.61 0.41 -0.78 -5.07 118.70 116.02 3njg s GLU 21 Ca 0.00 -1.23 -0.24 0.00 -0.41 0.00 0.00 54.97 53.09 3njg s GLU 21 Cb 0.00 -1.15 -0.08 0.00 -1.78 0.00 0.00 34.13 31.11 3njg s GLU 21 CO 0.00 0.24 1.14 -1.25 -0.49 0.00 0.00 175.26 174.90 3njg s PRO 22 N -2.38 3.94 -0.07 0.39 0.04 -1.26 -0.35 135.00 135.30 3njg s PRO 22 Ca 0.09 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.87 3njg s PRO 22 Cb -0.07 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.97 3njg s PRO 22 CO 0.04 -0.38 -0.10 0.08 0.04 0.00 0.00 177.00 176.68 3njg s VAL 23 N -1.54 1.04 -0.25 -0.36 1.01 0.73 -4.84 120.40 116.20 3njg s VAL 23 Ca 0.60 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3njg s VAL 23 Cb -0.28 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3njg s VAL 23 CO 0.34 0.34 0.25 -0.36 0.00 0.00 0.00 175.10 175.67 3njg s PHE 24 N 0.93 3.29 -0.14 5.22 0.08 -1.26 -1.44 117.98 124.66 3njg s PHE 24 Ca -0.10 0.31 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 3njg s PHE 24 Cb -0.15 -2.40 0.03 0.00 -0.57 0.00 0.00 43.02 39.93 3njg s PHE 24 CO 0.01 -0.05 -0.10 0.42 -0.10 0.00 0.00 175.22 175.40 3njg s ILE 25 N 1.44 1.29 0.00 0.64 1.01 0.19 -4.99 121.20 120.79 3njg s ILE 25 Ca 0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 3njg s ILE 25 Cb -0.15 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 3njg s ILE 25 CO 0.08 0.33 0.58 -0.31 0.00 0.00 0.00 174.94 175.62 3njg s TYR 26 N 1.59 3.70 0.12 3.97 2.02 -1.26 -0.74 117.35 126.74 3njg s TYR 26 Ca 0.04 1.19 0.10 0.00 -0.37 0.00 0.00 57.07 58.02 3njg s TYR 26 Cb -0.14 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 3njg s TYR 26 CO -0.09 0.39 -0.24 0.95 -1.57 0.00 0.00 175.55 174.99 3njg s THR 27 N -0.34 2.00 0.41 -0.71 -4.23 -0.08 -1.38 115.64 111.32 3njg s THR 27 Ca 0.30 -1.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 3njg s THR 27 Cb -0.18 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 71.93 3njg s THR 27 CO 0.17 0.01 0.53 -0.90 -0.54 0.00 0.00 174.62 173.89 3njg n ASP 28 N 0.97 1.60 0.19 3.99 5.68 -0.25 -0.86 116.55 127.87 3njg n ASP 28 Ca -0.19 -2.13 0.14 0.00 -0.50 0.00 0.00 54.79 52.12 3njg n ASP 28 Cb 0.53 -0.26 0.63 0.00 -1.14 0.00 0.00 41.12 40.88 3njg n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3njg h ALA 29 N 0.29 1.00 -0.01 2.12 0.00 -1.90 -0.32 119.26 120.44 3njg h ALA 29 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3njg h ALA 29 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3njg h ALA 29 CO 0.29 0.00 -0.08 0.09 0.00 0.00 0.00 179.25 179.55 3njg n ASN 30 N -2.52 0.96 0.00 0.00 5.03 -1.26 -4.94 115.26 112.53 3njg n ASN 30 Ca 0.01 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.36 3njg n ASN 30 Cb 0.19 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 3njg n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3njg n GLY 31 N 1.21 0.46 3.83 7.41 0.00 -0.13 -5.03 105.19 112.94 3njg n GLY 31 Ca 0.17 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3njg n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3njg s GLN 32 N -0.76 4.07 0.35 1.61 -0.21 -1.26 -4.79 119.66 118.66 3njg s GLN 32 Ca 0.00 0.59 -0.28 0.00 0.02 0.00 0.00 55.36 55.69 3njg s GLN 32 Cb 0.00 -3.09 -0.10 0.00 1.00 0.00 0.00 33.01 30.82 3njg s GLN 32 CO 0.00 0.57 1.32 0.08 -2.12 0.00 0.00 175.29 175.14 3njg s VAL 33 N -1.27 2.66 0.28 1.09 1.01 -1.26 -1.09 120.40 121.81 3njg s VAL 33 Ca 0.32 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 3njg s VAL 33 Cb -0.17 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3njg s VAL 33 CO 0.18 0.14 0.40 0.00 0.00 0.00 0.00 175.10 175.83 3njg n GLN 35 N -0.45 0.62 -1.00 0.00 1.13 -1.26 -4.06 117.38 112.37 3njg n GLN 35 Ca -0.00 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 3njg n GLN 35 Cb 0.46 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.32 3njg n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3njg n GLY 36 N 1.36 0.73 3.78 1.08 0.00 -1.26 -4.93 105.19 105.96 3njg n GLY 36 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3njg n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3njg s ASP 37 N -2.49 6.56 -0.03 1.61 1.01 -1.26 -5.07 116.67 117.00 3njg s ASP 37 Ca 0.00 2.18 0.02 0.00 0.71 0.00 0.00 52.55 55.46 3njg s ASP 37 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3njg s ASP 37 CO 0.00 -0.64 -0.06 -0.63 0.21 0.00 0.00 175.17 174.05 3njg s ILE 38 N -1.56 0.63 -0.21 0.77 -1.09 -1.26 -5.12 121.20 113.36 3njg s ILE 38 Ca 0.59 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.67 3njg s ILE 38 Cb -0.26 -0.60 -0.05 0.00 -1.58 0.00 0.00 42.46 39.97 3njg s ILE 38 CO 0.32 0.23 0.18 -0.89 -1.23 0.00 0.00 174.94 173.55 3njg s THR 39 N 0.55 5.37 -0.23 2.92 2.01 -1.26 -5.08 115.64 119.91 3njg s THR 39 Ca -0.08 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 3njg s THR 39 Cb -0.11 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3njg s THR 39 CO 0.01 0.39 0.02 -0.69 -0.69 0.00 0.00 174.62 173.66 3njg s VAL 40 N 0.65 3.93 -0.60 3.82 1.01 -1.26 -4.95 120.40 123.00 3njg s VAL 40 Ca 0.10 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3njg s VAL 40 Cb -0.12 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3njg s VAL 40 CO 0.01 0.38 0.47 0.35 0.00 0.00 0.00 175.10 176.32 3njg n THR 41 N 4.78 0.00 -3.89 3.92 -2.24 -1.26 -5.02 114.28 110.57 3njg n THR 41 Ca -0.17 -0.37 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 3njg n THR 41 Cb 0.51 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 3njg n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njg s GLN 42 N -1.46 1.80 0.31 -0.78 -2.07 -1.26 -5.13 119.66 111.08 3njg s GLN 42 Ca 0.05 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.17 3njg s GLN 42 Cb 0.06 0.58 -0.12 0.00 -1.09 0.00 0.00 33.01 32.44 3njg s GLN 42 CO 0.26 -0.81 1.36 0.00 -1.32 0.00 0.00 175.29 174.78 3njg n ALA 43 N -0.46 1.42 0.00 2.60 0.00 -1.26 -4.72 120.51 118.09 3njg n ALA 43 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3njg n ALA 43 Cb 0.60 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3njg n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3njg n GLY 44 N 1.26 -0.55 3.23 0.00 0.00 0.11 -2.65 105.19 106.58 3njg n GLY 44 Ca 0.07 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 3njg n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3njg s THR 45 N -3.01 1.29 -0.11 2.61 -4.23 -0.72 -0.88 115.64 110.60 3njg s THR 45 Ca 0.00 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3njg s THR 45 Cb 0.00 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3njg s THR 45 CO 0.00 -0.35 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.93 3njg s ILE 46 N -1.89 1.60 -0.21 2.99 1.09 -0.50 -1.84 121.20 122.44 3njg s ILE 46 Ca 0.06 -0.71 -0.03 0.00 -1.10 0.00 0.00 60.65 58.86 3njg s ILE 46 Cb -0.06 -1.45 -0.01 0.00 -1.06 0.00 0.00 42.46 39.88 3njg s ILE 46 CO 0.03 0.46 -0.05 -0.89 -0.10 0.00 0.00 174.94 174.39 3njg s THR 47 N 0.87 3.35 -0.28 2.92 2.01 0.31 -0.22 115.64 124.60 3njg s THR 47 Ca -0.09 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 3njg s THR 47 Cb -0.15 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 3njg s THR 47 CO -0.00 0.44 0.09 -0.31 -0.69 0.00 0.00 174.62 174.14 3njg s TYR 48 N 1.33 3.12 -0.23 4.92 2.02 0.19 -0.61 117.35 128.08 3njg s TYR 48 Ca 0.04 -0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 56.00 3njg s TYR 48 Cb -0.14 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.10 3njg s TYR 48 CO -0.02 -0.45 0.15 -1.17 -1.57 0.00 0.00 175.55 172.48 3njg s LEU 49 N 1.58 4.08 -0.07 -1.29 2.96 -0.53 -2.03 118.68 123.38 3njg s LEU 49 Ca 0.05 0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 3njg s LEU 49 Cb -0.16 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 3njg s LEU 49 CO 0.04 0.08 1.06 -0.22 -1.32 0.00 0.00 176.35 175.99 3njg s LEU 50 N 0.98 4.28 -0.46 -0.68 2.96 0.19 0.44 118.68 126.38 3njg s LEU 50 Ca 0.07 1.65 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 3njg s LEU 50 Cb -0.13 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.12 3njg s LEU 50 CO 0.04 -0.45 0.20 0.21 -1.32 0.00 0.00 176.35 175.03 3njg s ASN 51 N 1.17 4.54 -0.37 3.68 2.47 0.52 -4.92 114.94 122.03 3njg s ASN 51 Ca 0.51 -2.70 -0.24 0.00 0.42 0.00 0.00 52.86 50.85 3njg s ASN 51 Cb -0.21 -1.65 0.01 0.00 -1.45 0.00 0.00 41.25 37.95 3njg s ASN 51 CO 0.21 -0.29 0.85 -0.62 -3.72 0.00 0.00 177.10 173.52 3njg s ASP 52 N 0.20 6.60 -0.18 -4.21 2.15 -1.26 -0.96 116.67 119.01 3njg s ASP 52 Ca 0.15 0.44 0.16 0.00 0.43 0.00 0.00 52.55 53.73 3njg s ASP 52 Cb -0.23 -2.43 0.46 0.00 -0.30 0.00 0.00 42.92 40.42 3njg s ASP 52 CO -0.03 -0.79 1.35 0.00 -0.17 0.00 0.00 175.17 175.53 3njg n GLN 53 N 6.59 2.33 0.05 4.34 6.02 0.92 -4.70 117.38 132.93 3njg n GLN 53 Ca 0.05 -2.82 0.12 0.00 -0.01 0.00 0.00 57.00 54.34 3njg n GLN 53 Cb 0.48 -1.75 0.10 0.00 1.02 0.00 0.00 30.24 30.09 3njg n GLN 53 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3njg n THR 54 N -0.84 0.31 -1.09 5.09 -2.24 -1.18 -4.57 114.28 109.75 3njg n THR 54 Ca 0.21 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 3njg n THR 54 Cb 0.84 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3njg n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3njg n LEU 55 N -2.11 0.44 -1.33 3.22 4.77 -1.26 -4.87 117.00 115.86 3njg n LEU 55 Ca 0.02 0.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 3njg n LEU 55 Cb 0.45 -2.17 0.31 0.00 -2.33 0.00 0.00 43.42 39.68 3njg n LEU 55 CO 0.38 -0.82 0.77 0.29 -1.33 0.00 0.00 177.39 176.68 3njg n LYS 56 N -0.26 3.45 -3.50 3.23 4.76 -1.26 -4.97 118.16 119.61 3njg n LYS 56 Ca -0.03 -2.74 -0.21 0.00 -2.87 0.00 0.00 58.31 52.46 3njg n LYS 56 Cb 0.43 -1.77 0.08 0.00 -1.84 0.00 0.00 35.03 31.93 3njg n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3njg n GLY 57 N 0.82 -0.44 3.77 0.72 0.00 -1.26 -0.52 105.19 108.28 3njg n GLY 57 Ca 0.23 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 3njg n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njg s LEU 58 N -6.81 4.31 -0.07 0.99 1.43 -1.26 -3.79 118.68 113.47 3njg s LEU 58 Ca 0.41 2.68 -0.05 0.00 -1.03 0.00 0.00 54.13 56.14 3njg s LEU 58 Cb -0.18 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.28 3njg s LEU 58 CO 0.70 -0.71 0.17 -0.54 0.23 0.00 0.00 176.35 176.20 3njg s LYS 59 N -2.05 0.17 0.31 1.70 1.02 -0.97 -4.95 119.74 114.97 3njg s LYS 59 Ca 0.53 0.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 3njg s LYS 59 Cb -0.39 -0.02 -0.11 0.00 -0.52 0.00 0.00 37.83 36.79 3njg s LYS 59 CO 0.51 -0.09 1.54 -0.06 -0.92 0.00 0.00 175.35 176.33 3njg s PHE 60 N 0.59 2.77 -0.11 3.18 0.08 0.42 -0.87 117.98 124.04 3njg s PHE 60 Ca -0.04 0.92 0.11 0.00 0.12 0.00 0.00 56.93 58.04 3njg s PHE 60 Cb -0.06 -4.01 -0.17 0.00 -0.57 0.00 0.00 43.02 38.22 3njg s PHE 60 CO -0.03 -3.27 0.29 1.33 -0.10 0.00 0.00 175.22 173.44 3njg n VAL 61 N 1.79 0.00 -3.56 -0.44 0.24 0.56 -4.56 118.33 112.36 3njg n VAL 61 Ca 0.06 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3njg n VAL 61 Cb 0.38 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3njg n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3njg n GLY 62 N 1.75 -0.82 2.87 7.63 0.00 -1.12 -5.03 105.19 110.47 3njg n GLY 62 Ca -0.01 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 3njg n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njg s VAL 63 N -3.00 0.71 -0.04 1.61 1.01 -1.26 -1.77 120.40 117.66 3njg s VAL 63 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3njg s VAL 63 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3njg s VAL 63 CO 0.00 0.30 0.10 -0.83 0.00 0.00 0.00 175.10 174.67 3njg s GLY 64 N 1.54 2.05 -0.03 4.51 0.00 0.59 -4.96 107.32 111.03 3njg s GLY 64 Ca -0.00 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3njg s GLY 64 CO -0.04 -0.62 -0.06 -1.36 0.00 0.00 0.00 173.10 171.01 3njg s PHE 65 N -1.14 0.72 0.07 1.90 0.08 -1.26 -1.34 117.98 117.01 3njg s PHE 65 Ca 0.21 -0.17 0.19 0.00 0.12 0.00 0.00 56.93 57.27 3njg s PHE 65 Cb -0.12 -0.56 0.56 0.00 -0.57 0.00 0.00 43.02 42.33 3njg s PHE 65 CO 0.11 -0.10 1.67 0.28 -0.10 0.00 0.00 175.22 177.08 3njg h VAL 66 N 5.57 0.80 -2.19 -0.44 2.07 -2.00 -3.34 116.25 116.73 3njg h VAL 66 Ca -0.34 -1.63 -0.59 0.00 0.82 0.00 0.00 66.70 64.96 3njg h VAL 66 Cb 1.17 2.04 -0.42 0.00 -1.52 0.00 0.00 31.29 32.56 3njg h VAL 66 CO 0.49 0.37 -0.66 0.35 0.02 0.00 0.00 177.57 178.14 3njg n THR 67 N -3.41 2.20 0.38 2.57 -2.24 -1.26 -4.94 114.28 107.58 3njg n THR 67 Ca 0.00 -5.18 0.09 0.00 -2.27 0.00 0.00 64.05 56.69 3njg n THR 67 Cb 0.56 -1.90 0.41 0.00 -2.10 0.00 0.00 70.33 67.30 3njg n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3njg n PRO 68 N 0.65 0.11 -0.66 -0.78 -0.04 -1.26 -2.75 135.00 130.28 3njg n PRO 68 Ca 0.29 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.20 3njg n PRO 68 Cb 0.42 -1.73 0.30 0.00 -0.04 0.00 0.00 33.50 32.45 3njg n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3njg n PHE 69 N -1.95 1.45 1.26 0.54 3.72 -1.26 -4.58 117.46 116.64 3njg n PHE 69 Ca 0.02 -0.93 0.14 0.00 -0.05 0.00 0.00 57.45 56.63 3njg n PHE 69 Cb 0.18 -0.43 0.59 0.00 -0.94 0.00 0.00 39.48 38.88 3njg n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3njg n ASP 70 N -0.22 0.28 0.00 4.37 5.68 -1.11 -4.92 116.55 120.64 3njg n ASP 70 Ca 0.26 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3njg n ASP 70 Cb 1.05 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.87 3njg n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njg n GLY 71 N 1.36 0.44 0.09 6.12 0.00 -1.26 -4.92 105.19 107.01 3njg n GLY 71 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3njg n GLY 71 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3njg h ILE 72 N 0.00 1.43 -3.35 -0.61 1.08 -1.91 -3.41 117.51 110.73 3njg h ILE 72 Ca 0.00 -1.40 -0.62 0.00 -0.39 0.00 0.00 64.86 62.45 3njg h ILE 72 Cb 0.23 2.26 -0.16 0.00 -3.07 0.00 0.00 36.82 36.08 3njg h ILE 72 CO 0.00 0.38 -0.56 -0.63 -0.69 0.00 0.00 178.15 176.65 3njg s ILE 73 N -3.95 4.84 0.07 -0.67 -1.09 -1.26 -4.61 121.20 114.53 3njg s ILE 73 Ca -0.16 -0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.17 3njg s ILE 73 Cb 0.02 -3.20 -0.29 0.00 -1.58 0.00 0.00 42.46 37.41 3njg s ILE 73 CO 0.71 0.44 1.12 0.44 -1.23 0.00 0.00 174.94 176.42 3njg h ASP 74 N 6.91 0.57 -4.74 3.58 5.19 -1.24 -3.49 116.42 123.20 3njg h ASP 74 Ca -0.37 -0.59 0.05 0.00 -0.62 0.00 0.00 57.03 55.50 3njg h ASP 74 Cb 1.17 -0.19 -0.15 0.00 0.18 0.00 0.00 39.33 40.34 3njg h ASP 74 CO 0.69 1.45 0.39 0.00 -3.12 0.00 0.00 179.24 178.65 3njg s ALA 75 N -2.72 -1.76 -0.05 3.45 0.00 -1.17 -4.99 121.76 114.51 3njg s ALA 75 Ca -0.06 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.86 3njg s ALA 75 Cb 0.06 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3njg s ALA 75 CO 0.90 -0.67 -0.21 0.08 0.00 0.00 0.00 175.76 175.86 3njg s VAL 76 N -3.05 1.75 0.15 0.00 1.01 -1.26 -1.10 120.40 117.90 3njg s VAL 76 Ca 0.02 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.20 3njg s VAL 76 Cb -0.01 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3njg s VAL 76 CO -0.08 0.49 -0.22 0.42 0.00 0.00 0.00 175.10 175.71 3njg s THR 77 N -0.08 1.99 0.00 3.92 -4.23 -0.05 -4.98 115.64 112.21 3njg s THR 77 Ca -0.03 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3njg s THR 77 Cb -0.13 -1.86 -0.00 0.00 1.34 0.00 0.00 72.50 71.85 3njg s THR 77 CO 0.03 -0.14 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.44 3njg s ILE 78 N -1.56 0.17 0.58 2.99 2.07 -1.26 -0.99 121.20 123.19 3njg s ILE 78 Ca 0.14 -0.22 -0.14 0.00 -1.41 0.00 0.00 60.65 59.03 3njg s ILE 78 Cb -0.08 -0.17 -0.05 0.00 0.13 0.00 0.00 42.46 42.28 3njg s ILE 78 CO 0.07 -0.03 1.01 -0.94 -1.91 0.00 0.00 174.94 173.14 3njg s SER 79 N -0.27 6.35 0.54 4.50 1.04 -0.44 -4.96 113.70 120.47 3njg s SER 79 Ca -0.01 1.51 0.31 0.00 0.48 0.00 0.00 55.95 58.24 3njg s SER 79 Cb -0.02 -2.49 1.46 0.00 0.10 0.00 0.00 66.02 65.07 3njg s SER 79 CO -0.00 -0.78 2.04 0.77 0.98 0.00 0.00 173.24 176.25 3njg h SER 80 N 0.25 0.00 -0.36 7.02 4.64 -1.99 -1.33 113.55 121.77 3njg h SER 80 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3njg h SER 80 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3njg h SER 80 CO 0.61 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 3njg n ASP 81 N -3.35 2.63 -0.88 4.97 5.68 -1.26 -4.95 116.55 119.39 3njg n ASP 81 Ca -0.01 -1.90 -0.11 0.00 -0.50 0.00 0.00 54.79 52.26 3njg n ASP 81 Cb 0.27 -0.23 -0.05 0.00 -1.14 0.00 0.00 41.12 39.97 3njg n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njg n GLY 82 N 1.32 1.15 0.01 6.12 0.00 -0.50 -4.85 105.19 108.44 3njg n GLY 82 Ca 0.18 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 3njg n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3njg n MET 83 N -1.37 0.08 -3.97 1.61 2.81 -1.26 -0.43 117.12 114.58 3njg n MET 83 Ca -0.11 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.64 3njg n MET 83 Cb 0.54 -1.53 -0.15 0.00 -0.71 0.00 0.00 33.22 31.37 3njg n MET 83 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3njg s LEU 84 N -3.27 1.79 0.04 4.03 1.43 -1.26 -0.64 118.68 120.81 3njg s LEU 84 Ca 0.09 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3njg s LEU 84 Cb 0.16 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 3njg s LEU 84 CO 0.75 -0.00 -0.23 0.68 0.23 0.00 0.00 176.35 177.78 3njg s VAL 85 N 0.21 1.85 -0.00 -1.59 -7.23 -0.86 -1.32 120.40 111.46 3njg s VAL 85 Ca -0.02 -1.27 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 3njg s VAL 85 Cb -0.04 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 3njg s VAL 85 CO -0.01 0.27 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.80 3njg s GLN 86 N -1.20 1.17 -0.12 4.82 -0.21 -0.16 -0.63 119.66 123.32 3njg s GLN 86 Ca 0.09 -0.59 -0.02 0.00 0.02 0.00 0.00 55.36 54.86 3njg s GLN 86 Cb -0.09 -1.15 -0.03 0.00 1.00 0.00 0.00 33.01 32.74 3njg s GLN 86 CO 0.02 0.31 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.96 3njg s LEU 87 N -0.51 3.34 -0.22 2.90 1.43 0.69 -0.87 118.68 125.44 3njg s LEU 87 Ca 0.05 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3njg s LEU 87 Cb -0.06 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3njg s LEU 87 CO -0.00 0.26 0.19 -0.69 0.23 0.00 0.00 176.35 176.34 3njg s VAL 88 N -0.20 5.35 -0.23 -1.59 1.01 -0.26 -1.41 120.40 123.08 3njg s VAL 88 Ca 0.04 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 3njg s VAL 88 Cb -0.13 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.79 3njg s VAL 88 CO 0.02 0.37 0.02 -0.62 0.00 0.00 0.00 175.10 174.89 3njg s ASP 89 N 0.79 3.41 0.00 3.32 -1.08 -0.05 -0.82 116.67 122.23 3njg s ASP 89 Ca 0.10 -1.09 0.28 0.00 -0.52 0.00 0.00 52.55 51.32 3njg s ASP 89 Cb -0.13 -0.83 1.02 0.00 -1.46 0.00 0.00 42.92 41.52 3njg s ASP 89 CO 0.03 -0.30 1.72 0.18 0.52 0.00 0.00 175.17 177.32 3njg n LEU 90 N 4.89 0.91 -3.94 -1.34 4.77 -1.26 0.05 117.00 121.08 3njg n LEU 90 Ca -0.09 -0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.40 3njg n LEU 90 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3njg n LEU 90 CO 0.14 0.16 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.62 3njg n ASP 91 N -0.58 -2.19 -0.08 -1.43 2.03 -1.26 -4.18 116.55 108.86 3njg n ASP 91 Ca 0.15 -0.91 -0.20 0.00 0.52 0.00 0.00 54.79 54.35 3njg n ASP 91 Cb 0.32 -3.42 -0.13 0.00 -0.72 0.00 0.00 41.12 37.17 3njg n ASP 91 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3njg n LYS 92 N -4.44 0.69 -3.11 -0.67 5.02 -1.26 -4.81 118.16 109.58 3njg n LYS 92 Ca -0.15 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 3njg n LYS 92 Cb 0.61 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3njg n LYS 92 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3njg s THR 93 N -2.53 4.98 0.61 -0.18 2.01 -1.26 -5.07 115.64 114.19 3njg s THR 93 Ca -0.30 1.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.62 3njg s THR 93 Cb 0.08 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 3njg s THR 93 CO 0.67 -0.01 1.04 -2.16 -0.69 0.00 0.00 174.62 173.47 3njg s PRO 94 N 2.52 3.35 0.00 4.92 0.04 -1.26 -4.74 135.00 139.84 3njg s PRO 94 Ca 0.26 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3njg s PRO 94 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3njg s PRO 94 CO 0.09 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.77 3njg n GLY 95 N -1.49 0.63 3.07 0.56 0.00 -1.26 -5.01 105.19 101.69 3njg n GLY 95 Ca 0.08 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 3njg n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3njg s THR 96 N -1.07 0.98 0.08 2.61 2.01 -1.26 -5.05 115.64 113.94 3njg s THR 96 Ca 0.00 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.51 3njg s THR 96 Cb 0.00 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3njg s THR 96 CO 0.00 0.28 -0.09 0.28 -0.69 0.00 0.00 174.62 174.40 3njg s THR 97 N -0.20 0.82 0.09 -0.82 -1.32 -1.26 -5.03 115.64 107.92 3njg s THR 97 Ca 0.03 -1.48 0.09 0.00 -1.21 0.00 0.00 61.69 59.13 3njg s THR 97 Cb -0.06 -1.15 -0.03 0.00 -1.51 0.00 0.00 72.50 69.75 3njg s THR 97 CO -0.00 -0.51 -0.24 0.00 -2.21 0.00 0.00 174.62 171.66 3njg s ALA 98 N -2.15 2.09 0.14 11.08 0.00 -1.26 -5.11 121.76 126.54 3njg s ALA 98 Ca 0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 3njg s ALA 98 Cb -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3njg s ALA 98 CO -0.00 0.47 0.27 -0.59 0.00 0.00 0.00 175.76 175.91 3njg s PHE 99 N -0.98 0.23 -0.02 0.00 -0.12 -1.26 -4.34 117.98 111.48 3njg s PHE 99 Ca 0.10 -0.61 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 3njg s PHE 99 Cb -0.10 -0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3njg s PHE 99 CO 0.04 -0.67 -0.21 -0.65 -0.05 0.00 0.00 175.22 173.68 3njg s GLN 100 N -3.91 1.83 0.40 1.99 -0.21 -0.45 -4.72 119.66 114.60 3njg s GLN 100 Ca 0.11 -0.76 -0.25 0.00 0.02 0.00 0.00 55.36 54.48 3njg s GLN 100 Cb 0.03 -1.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.25 3njg s GLN 100 CO -0.05 0.42 1.21 -0.06 -2.12 0.00 0.00 175.29 174.69 3njg s PHE 101 N -0.39 2.98 -0.15 0.91 0.08 -1.26 -0.30 117.98 119.85 3njg s PHE 101 Ca 0.05 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.62 3njg s PHE 101 Cb -0.09 -3.48 0.01 0.00 -0.57 0.00 0.00 43.02 38.88 3njg s PHE 101 CO 0.00 -1.57 -0.18 0.08 -0.10 0.00 0.00 175.22 173.45 3njg s VAL 102 N -1.37 2.37 0.05 -0.44 1.01 -0.73 -2.09 120.40 119.21 3njg s VAL 102 Ca 0.57 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3njg s VAL 102 Cb -0.33 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3njg s VAL 102 CO 0.42 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 175.15 3njg s LEU 103 N 0.88 2.22 0.48 3.92 1.02 0.42 -0.32 118.68 127.30 3njg s LEU 103 Ca -0.05 -0.53 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 3njg s LEU 103 Cb -0.15 -0.55 -0.01 0.00 0.02 0.00 0.00 46.19 45.50 3njg s LEU 103 CO -0.02 -0.02 0.74 -0.94 0.02 0.00 0.00 176.35 176.12 3njg s SER 104 N -1.42 5.88 0.06 2.29 1.04 -0.05 0.13 113.70 121.63 3njg s SER 104 Ca -0.00 0.52 -0.03 0.00 0.48 0.00 0.00 55.95 56.91 3njg s SER 104 Cb -0.09 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 3njg s SER 104 CO 0.02 -0.74 0.04 0.54 0.98 0.00 0.00 173.24 174.08 3njg s ASN 105 N -4.21 0.35 0.00 7.02 2.20 -1.26 -2.28 114.94 116.77 3njg s ASN 105 Ca 0.49 -0.85 0.25 0.00 -0.94 0.00 0.00 52.86 51.81 3njg s ASN 105 Cb -0.10 0.24 0.48 0.00 -2.00 0.00 0.00 41.25 39.87 3njg s ASN 105 CO 0.41 -0.61 1.40 0.35 -2.94 0.00 0.00 177.10 175.70 3njg n THR 106 N 0.18 0.00 0.13 0.54 -2.24 0.33 -4.22 114.28 109.00 3njg n THR 106 Ca -0.15 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 3njg n THR 106 Cb 0.61 0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 3njg n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njg h ALA 107 N 3.92 -0.05 -3.51 6.98 0.00 -1.94 -3.49 119.26 121.17 3njg h ALA 107 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 54.91 53.86 3njg h ALA 107 Cb 0.63 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3njg h ALA 107 CO 0.00 0.82 -0.06 0.27 0.00 0.00 0.00 179.25 180.28 3njg n ASN 108 N -3.63 -1.13 -1.53 0.00 0.23 -1.26 -5.06 115.26 102.88 3njg n ASN 108 Ca -0.13 -2.38 0.09 0.00 -0.53 0.00 0.00 54.58 51.64 3njg n ASN 108 Cb 1.07 2.05 0.35 0.00 -2.08 0.00 0.00 39.78 41.17 3njg n ASN 108 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3njg n THR 109 N -0.43 1.82 -3.25 5.53 -2.24 -1.26 -4.48 114.28 109.96 3njg n THR 109 Ca -0.01 -1.22 -0.39 0.00 -2.27 0.00 0.00 64.05 60.17 3njg n THR 109 Cb 0.44 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 3njg n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3njg s LEU 110 N -1.84 4.53 0.49 3.22 1.02 -1.26 -5.05 118.68 119.79 3njg s LEU 110 Ca 0.50 1.29 -0.18 0.00 0.02 0.00 0.00 54.13 55.76 3njg s LEU 110 Cb 0.32 -2.93 -0.09 0.00 0.02 0.00 0.00 46.19 43.52 3njg s LEU 110 CO 0.24 0.27 0.97 -0.76 0.02 0.00 0.00 176.35 177.10 3njg s LEU 111 N -1.12 3.73 -0.13 1.79 1.43 -1.26 -4.41 118.68 118.71 3njg s LEU 111 Ca 0.30 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.97 3njg s LEU 111 Cb -0.20 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.47 3njg s LEU 111 CO 0.20 -0.52 0.01 -0.69 0.23 0.00 0.00 176.35 175.58 3njg s VAL 112 N -2.47 4.35 0.01 -1.59 1.01 0.12 -4.94 120.40 116.89 3njg s VAL 112 Ca 0.60 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.45 3njg s VAL 112 Cb -0.10 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3njg s VAL 112 CO 0.25 0.54 -0.25 -0.76 0.00 0.00 0.00 175.10 174.88 3njg s LEU 113 N -0.20 2.19 0.63 3.92 1.43 -1.26 -0.44 118.68 124.95 3njg s LEU 113 Ca 0.06 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3njg s LEU 113 Cb -0.12 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3njg s LEU 113 CO 0.02 0.29 1.14 -0.94 0.23 0.00 0.00 176.35 177.09 3njg s SER 114 N -0.96 5.18 0.48 2.29 1.04 -0.89 -4.93 113.70 115.92 3njg s SER 114 Ca 0.11 2.14 0.27 0.00 0.48 0.00 0.00 55.95 58.95 3njg s SER 114 Cb -0.10 -2.57 1.08 0.00 0.10 0.00 0.00 66.02 64.53 3njg s SER 114 CO 0.01 -1.58 1.89 1.55 0.98 0.00 0.00 173.24 176.08 3njg h PRO 115 N 0.44 0.00 0.00 4.02 0.13 -1.96 -3.43 132.00 131.19 3njg h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3njg h PRO 115 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3njg h PRO 115 CO 0.54 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07