#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njh s GLN 5 N 0.00 1.33 0.00 -0.52 -2.07 -1.26 -5.18 119.66 111.96 3njh s GLN 5 Ca 0.00 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 3njh s GLN 5 Cb 0.00 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 3njh s GLN 5 CO 0.00 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.78 3njh n GLY 6 N -0.42 5.43 3.80 2.60 0.00 -1.25 -4.98 105.19 110.37 3njh n GLY 6 Ca -0.08 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 3njh n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njh s LEU 7 N 0.00 4.12 -0.40 0.99 1.02 -1.25 -5.00 118.68 118.16 3njh s LEU 7 Ca 0.00 0.34 -0.04 0.00 0.02 0.00 0.00 54.13 54.44 3njh s LEU 7 Cb 0.00 -2.00 0.10 0.00 0.02 0.00 0.00 46.19 44.31 3njh s LEU 7 CO 0.00 0.37 0.20 0.00 0.02 0.00 0.00 176.35 176.94 3njh s ALA 8 N -0.77 3.16 0.28 4.21 0.00 -1.26 -1.80 121.76 125.57 3njh s ALA 8 Ca 0.13 -2.38 0.01 0.00 0.00 0.00 0.00 51.96 49.72 3njh s ALA 8 Cb -0.12 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 3njh s ALA 8 CO 0.03 -1.72 0.45 -0.65 0.00 0.00 0.00 175.76 173.87 3njh s GLN 9 N 1.22 3.49 -0.03 0.00 -0.21 -0.36 -5.00 119.66 118.77 3njh s GLN 9 Ca 0.06 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.00 3njh s GLN 9 Cb -0.23 -2.77 0.02 0.00 1.00 0.00 0.00 33.01 31.03 3njh s GLN 9 CO -0.03 0.30 -0.03 0.12 -2.12 0.00 0.00 175.29 173.53 3njh s PHE 10 N -2.10 0.51 0.01 0.91 5.36 -1.26 -0.79 117.98 120.62 3njh s PHE 10 Ca 0.38 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 3njh s PHE 10 Cb -0.10 -0.49 -0.01 0.00 -0.34 0.00 0.00 43.02 42.08 3njh s PHE 10 CO 0.32 -0.13 -0.12 0.42 -1.46 0.00 0.00 175.22 174.25 3njh s ILE 11 N 0.78 0.95 -0.17 3.12 -1.09 0.31 -4.29 121.20 120.82 3njh s ILE 11 Ca -0.09 -0.67 -0.09 0.00 -2.23 0.00 0.00 60.65 57.56 3njh s ILE 11 Cb -0.12 -0.83 -0.05 0.00 -1.58 0.00 0.00 42.46 39.88 3njh s ILE 11 CO -0.01 0.15 0.14 -0.75 -1.23 0.00 0.00 174.94 173.25 3njh s LYS 12 N -0.59 3.96 -0.66 2.79 2.20 0.12 -1.19 119.74 126.36 3njh s LYS 12 Ca 0.03 -0.17 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 3njh s LYS 12 Cb -0.06 -3.35 0.17 0.00 -1.51 0.00 0.00 37.83 33.09 3njh s LYS 12 CO 0.00 0.45 0.56 0.08 -0.36 0.00 0.00 175.35 176.08 3njh s VAL 13 N -0.09 4.77 -0.30 4.02 1.01 -0.09 -1.57 120.40 128.16 3njh s VAL 13 Ca 0.11 -2.34 -0.18 0.00 0.00 0.00 0.00 61.98 59.58 3njh s VAL 13 Cb -0.11 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3njh s VAL 13 CO 0.00 -0.92 0.49 0.20 0.00 0.00 0.00 175.10 174.88 3njh s ASN 14 N 2.06 6.36 -0.17 3.32 0.01 0.26 -0.75 114.94 126.04 3njh s ASN 14 Ca 0.13 0.26 -0.00 0.00 -0.71 0.00 0.00 52.86 52.54 3njh s ASN 14 Cb -0.19 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.21 3njh s ASN 14 CO -0.04 -0.35 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.37 3njh s VAL 15 N 2.31 2.77 0.42 1.60 1.01 -0.62 -0.43 120.40 127.47 3njh s VAL 15 Ca 0.19 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3njh s VAL 15 Cb -0.16 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 3njh s VAL 15 CO 0.11 0.50 0.01 0.42 0.00 0.00 0.00 175.10 176.14 3njh s THR 16 N 0.94 1.91 -0.19 3.92 -4.23 -0.60 -0.68 115.64 116.70 3njh s THR 16 Ca -0.03 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 3njh s THR 16 Cb -0.15 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 3njh s THR 16 CO -0.02 0.00 0.01 -0.22 -0.54 0.00 0.00 174.62 173.86 3njh s LEU 17 N -3.73 3.42 -0.13 4.79 2.96 -1.26 -0.45 118.68 124.29 3njh s LEU 17 Ca 0.32 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.12 3njh s LEU 17 Cb 0.09 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.95 3njh s LEU 17 CO 0.16 0.11 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.62 3njh s GLU 18 N 0.71 1.58 -1.47 1.98 0.41 -0.25 -4.69 118.70 116.98 3njh s GLU 18 Ca 0.01 -0.34 -0.13 0.00 -0.41 0.00 0.00 54.97 54.10 3njh s GLU 18 Cb -0.14 -1.73 0.10 0.00 -1.78 0.00 0.00 34.13 30.58 3njh s GLU 18 CO 0.02 -0.30 0.71 0.09 -0.49 0.00 0.00 175.26 175.29 3njh n ASN 19 N 4.91 -4.05 0.00 -0.19 3.02 -1.26 -1.65 115.26 116.05 3njh n ASN 19 Ca -0.13 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3njh n ASN 19 Cb 0.49 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 3njh n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njh n GLY 20 N -1.39 1.08 3.31 7.41 0.00 -1.26 -5.04 105.19 109.30 3njh n GLY 20 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3njh n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3njh s GLU 21 N -0.20 1.53 0.48 1.61 0.41 -0.66 -5.05 118.70 116.82 3njh s GLU 21 Ca 0.00 -1.08 -0.23 0.00 -0.41 0.00 0.00 54.97 53.26 3njh s GLU 21 Cb 0.00 -1.73 -0.07 0.00 -1.78 0.00 0.00 34.13 30.55 3njh s GLU 21 CO 0.00 0.44 1.20 -1.25 -0.49 0.00 0.00 175.26 175.16 3njh s PRO 22 N -1.37 3.64 -0.04 0.39 0.04 -1.26 -1.09 135.00 135.31 3njh s PRO 22 Ca 0.10 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3njh s PRO 22 Cb -0.10 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3njh s PRO 22 CO 0.03 -0.68 -0.11 0.08 0.04 0.00 0.00 177.00 176.36 3njh s VAL 23 N -1.50 1.00 -0.17 -0.36 1.01 0.41 -4.86 120.40 115.93 3njh s VAL 23 Ca 0.65 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3njh s VAL 23 Cb -0.31 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3njh s VAL 23 CO 0.37 0.31 -0.01 -0.36 0.00 0.00 0.00 175.10 175.41 3njh s PHE 24 N 0.33 3.09 -0.07 5.22 0.08 -1.26 -1.56 117.98 123.81 3njh s PHE 24 Ca -0.07 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.80 3njh s PHE 24 Cb -0.11 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3njh s PHE 24 CO 0.02 0.00 -0.09 0.42 -0.10 0.00 0.00 175.22 175.47 3njh s ILE 25 N 0.41 0.93 -0.17 0.64 1.01 0.43 -4.99 121.20 119.47 3njh s ILE 25 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 3njh s ILE 25 Cb -0.14 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 3njh s ILE 25 CO 0.02 0.32 -0.04 -0.31 0.00 0.00 0.00 174.94 174.93 3njh s TYR 26 N 0.93 2.99 0.07 3.97 2.02 -1.26 -0.57 117.35 125.50 3njh s TYR 26 Ca -0.10 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 3njh s TYR 26 Cb -0.15 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3njh s TYR 26 CO 0.01 -0.14 -0.16 0.95 -1.57 0.00 0.00 175.55 174.63 3njh s THR 27 N 0.58 1.31 0.47 -0.71 -4.23 -0.61 -0.74 115.64 111.71 3njh s THR 27 Ca -0.03 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 3njh s THR 27 Cb -0.14 -1.20 0.11 0.00 1.34 0.00 0.00 72.50 72.60 3njh s THR 27 CO 0.03 -0.07 0.58 -0.90 -0.54 0.00 0.00 174.62 173.72 3njh n ASP 28 N 1.49 -0.27 0.24 3.99 5.68 0.39 0.14 116.55 128.20 3njh n ASP 28 Ca -0.19 -1.13 0.12 0.00 -0.50 0.00 0.00 54.79 53.08 3njh n ASP 28 Cb 0.54 -0.46 0.58 0.00 -1.14 0.00 0.00 41.12 40.64 3njh n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3njh h ALA 29 N -1.99 1.10 -0.41 2.12 0.00 -1.90 -2.34 119.26 115.84 3njh h ALA 29 Ca -0.19 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3njh h ALA 29 Cb 0.55 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3njh h ALA 29 CO 0.13 0.22 0.04 0.27 0.00 0.00 0.00 179.25 179.91 3njh n ASN 30 N -3.45 3.16 0.00 0.00 2.04 -1.26 -4.96 115.26 110.79 3njh n ASN 30 Ca -0.01 -3.50 0.00 0.00 -0.44 0.00 0.00 54.58 50.64 3njh n ASN 30 Cb 0.35 -0.63 0.00 0.00 -2.53 0.00 0.00 39.78 36.97 3njh n ASN 30 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3njh n GLY 31 N -0.89 0.71 3.71 4.83 0.00 -0.88 -5.03 105.19 107.64 3njh n GLY 31 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3njh n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3njh s GLN 32 N -0.41 4.52 0.21 1.61 0.74 -1.26 -4.77 119.66 120.29 3njh s GLN 32 Ca 0.00 1.53 -0.32 0.00 0.05 0.00 0.00 55.36 56.62 3njh s GLN 32 Cb 0.00 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.56 3njh s GLN 32 CO 0.00 -0.12 1.67 0.28 -0.55 0.00 0.00 175.29 176.57 3njh n VAL 33 N 3.92 0.13 -2.59 1.34 0.31 -1.26 -0.46 118.33 119.73 3njh n VAL 33 Ca 0.07 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.95 3njh n VAL 33 Cb 0.49 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 3njh n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3njh s GLN 35 N 0.50 2.12 2.21 0.00 -0.21 -1.26 -4.92 119.66 118.10 3njh s GLN 35 Ca 0.52 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.43 3njh s GLN 35 Cb -0.26 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.66 3njh s GLN 35 CO 0.30 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 3njh n GLY 36 N 4.46 0.15 3.83 3.09 0.00 -1.26 -4.93 105.19 110.53 3njh n GLY 36 Ca -0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 3njh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3njh s ALA 37 N -1.67 3.12 -0.03 4.61 0.00 -1.26 -4.67 121.76 121.85 3njh s ALA 37 Ca 0.00 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 3njh s ALA 37 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3njh s ALA 37 CO 0.00 0.18 0.48 0.42 0.00 0.00 0.00 175.76 176.85 3njh s ILE 38 N -2.12 5.03 -0.14 0.00 1.01 -0.01 -4.95 121.20 120.01 3njh s ILE 38 Ca 0.60 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 62.20 3njh s ILE 38 Cb -0.10 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3njh s ILE 38 CO 0.14 0.46 -0.02 -0.89 0.00 0.00 0.00 174.94 174.63 3njh s THR 39 N -0.32 4.05 -0.28 2.92 2.01 -1.26 -0.99 115.64 121.77 3njh s THR 39 Ca 0.26 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 3njh s THR 39 Cb -0.17 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.62 3njh s THR 39 CO 0.13 0.51 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.86 3njh s VAL 40 N 0.09 2.92 -2.22 3.82 1.01 -0.92 -4.98 120.40 120.13 3njh s VAL 40 Ca 0.00 -1.24 0.24 0.00 0.00 0.00 0.00 61.98 60.98 3njh s VAL 40 Cb -0.13 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 33.77 3njh s VAL 40 CO 0.02 0.02 1.25 0.35 0.00 0.00 0.00 175.10 176.75 3njh n THR 41 N 4.64 0.00 -3.73 3.92 -2.24 -1.26 -3.79 114.28 111.81 3njh n THR 41 Ca -0.15 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3njh n THR 41 Cb 0.45 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 3njh n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njh s GLN 42 N -2.35 1.54 0.34 -0.78 -2.07 -1.26 -5.01 119.66 110.07 3njh s GLN 42 Ca 0.23 -0.85 -0.28 0.00 -1.82 0.00 0.00 55.36 52.64 3njh s GLN 42 Cb 0.19 0.57 -0.12 0.00 -1.09 0.00 0.00 33.01 32.56 3njh s GLN 42 CO 0.49 -0.68 1.22 0.00 -1.32 0.00 0.00 175.29 175.00 3njh n ALA 43 N -0.40 0.96 0.00 2.60 0.00 -1.26 -4.82 120.51 117.59 3njh n ALA 43 Ca -0.09 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3njh n ALA 43 Cb 0.62 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3njh n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3njh n GLY 44 N 0.87 -1.21 3.15 0.00 0.00 -0.82 -3.80 105.19 103.38 3njh n GLY 44 Ca 0.06 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 3njh n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3njh s THR 45 N -2.11 1.15 -0.19 2.61 -4.23 -0.75 -1.38 115.64 110.75 3njh s THR 45 Ca 0.00 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3njh s THR 45 Cb 0.00 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.83 3njh s THR 45 CO 0.00 0.02 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.31 3njh s ILE 46 N -0.85 1.88 -0.20 2.99 1.01 -0.44 -1.22 121.20 124.37 3njh s ILE 46 Ca 0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 3njh s ILE 46 Cb -0.08 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3njh s ILE 46 CO 0.01 0.38 0.11 -0.89 0.00 0.00 0.00 174.94 174.56 3njh s THR 47 N 1.33 5.17 -0.17 2.92 2.01 0.03 -1.16 115.64 125.79 3njh s THR 47 Ca 0.02 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 3njh s THR 47 Cb -0.14 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 3njh s THR 47 CO -0.11 0.42 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.82 3njh s TYR 48 N 0.55 2.84 -0.20 4.92 2.02 -0.56 -0.53 117.35 126.39 3njh s TYR 48 Ca 0.06 -0.92 -0.05 0.00 -0.37 0.00 0.00 57.07 55.79 3njh s TYR 48 Cb -0.12 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 3njh s TYR 48 CO 0.00 -0.43 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.38 3njh s LEU 49 N 0.87 3.26 -0.15 -1.29 2.96 -0.33 -2.52 118.68 121.46 3njh s LEU 49 Ca -0.03 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 3njh s LEU 49 Cb -0.15 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 3njh s LEU 49 CO -0.00 0.06 1.02 -0.22 -1.32 0.00 0.00 176.35 175.89 3njh s LEU 50 N 1.00 4.19 -0.41 -0.68 2.96 0.57 -0.91 118.68 125.39 3njh s LEU 50 Ca 0.02 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 55.39 3njh s LEU 50 Cb -0.14 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.12 3njh s LEU 50 CO 0.02 -0.53 0.18 0.21 -1.32 0.00 0.00 176.35 174.91 3njh s ASN 51 N 1.14 5.07 -0.53 3.68 2.47 0.07 -4.93 114.94 121.91 3njh s ASN 51 Ca 0.46 -2.19 -0.17 0.00 0.42 0.00 0.00 52.86 51.38 3njh s ASN 51 Cb -0.17 -1.77 0.09 0.00 -1.45 0.00 0.00 41.25 37.95 3njh s ASN 51 CO 0.13 -0.47 0.55 -0.62 -3.72 0.00 0.00 177.10 172.98 3njh s ASP 52 N 1.37 6.18 -0.02 -4.21 2.15 -1.26 -1.59 116.67 119.29 3njh s ASP 52 Ca 0.10 -1.37 0.21 0.00 0.43 0.00 0.00 52.55 51.92 3njh s ASP 52 Cb -0.22 -2.25 0.63 0.00 -0.30 0.00 0.00 42.92 40.79 3njh s ASP 52 CO -0.05 -0.88 1.53 0.00 -0.17 0.00 0.00 175.17 175.60 3njh n GLN 53 N 5.73 2.78 0.16 4.34 1.13 0.14 -4.58 117.38 127.09 3njh n GLN 53 Ca -0.11 -2.55 0.12 0.00 -1.94 0.00 0.00 57.00 52.53 3njh n GLN 53 Cb 0.43 -1.60 0.20 0.00 0.11 0.00 0.00 30.24 29.39 3njh n GLN 53 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3njh h THR 54 N 4.05 0.00 0.00 5.09 1.35 -1.87 -3.42 112.91 118.12 3njh h THR 54 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3njh h THR 54 Cb 1.01 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3njh h THR 54 CO 0.04 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 3njh n LEU 55 N -2.74 0.62 -1.21 3.87 4.77 -1.26 -4.82 117.00 116.23 3njh n LEU 55 Ca 0.04 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3njh n LEU 55 Cb 0.50 -1.24 0.28 0.00 -2.33 0.00 0.00 43.42 40.63 3njh n LEU 55 CO 0.34 -0.43 0.73 0.29 -1.33 0.00 0.00 177.39 176.99 3njh n LYS 56 N -1.44 2.75 -3.41 3.23 4.76 -1.26 -4.96 118.16 117.84 3njh n LYS 56 Ca 0.00 -2.23 -0.17 0.00 -2.87 0.00 0.00 58.31 53.04 3njh n LYS 56 Cb 0.12 -1.60 0.09 0.00 -1.84 0.00 0.00 35.03 31.79 3njh n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3njh n GLY 57 N 1.25 -0.35 3.76 0.72 0.00 -1.26 -1.55 105.19 107.75 3njh n GLY 57 Ca 0.20 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3njh n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3njh s LEU 58 N -6.32 4.49 -0.06 0.99 1.43 -1.26 -3.67 118.68 114.28 3njh s LEU 58 Ca 0.02 2.43 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 3njh s LEU 58 Cb -0.01 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.60 3njh s LEU 58 CO 0.72 -0.33 0.14 -0.54 0.23 0.00 0.00 176.35 176.56 3njh s LYS 59 N -1.39 0.12 0.16 1.70 1.02 -0.97 -4.95 119.74 115.43 3njh s LYS 59 Ca 0.48 0.26 -0.33 0.00 0.02 0.00 0.00 55.97 56.39 3njh s LYS 59 Cb -0.35 -0.03 -0.13 0.00 -0.52 0.00 0.00 37.83 36.79 3njh s LYS 59 CO 0.45 -0.08 1.64 1.19 -0.92 0.00 0.00 175.35 177.63 3njh n PHE 60 N 3.52 2.40 0.14 3.18 3.72 -0.30 -1.18 117.46 128.94 3njh n PHE 60 Ca -0.18 0.19 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3njh n PHE 60 Cb 0.56 -2.59 -0.00 0.00 -0.94 0.00 0.00 39.48 36.51 3njh n PHE 60 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3njh n VAL 61 N 3.68 0.00 -2.23 -4.37 0.24 -0.05 -4.57 118.33 111.04 3njh n VAL 61 Ca 0.17 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3njh n VAL 61 Cb 0.30 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 3njh n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3njh n GLY 62 N 0.59 -1.39 3.06 7.63 0.00 -1.10 -5.02 105.19 108.95 3njh n GLY 62 Ca 0.01 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 3njh n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njh s VAL 63 N -2.50 1.41 -0.14 1.61 1.01 -1.26 -1.82 120.40 118.71 3njh s VAL 63 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3njh s VAL 63 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3njh s VAL 63 CO 0.00 0.42 0.10 -0.83 0.00 0.00 0.00 175.10 174.79 3njh s GLY 64 N 0.84 2.03 0.00 4.51 0.00 0.50 -4.95 107.32 110.26 3njh s GLY 64 Ca -0.10 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 43.95 3njh s GLY 64 CO 0.01 -0.24 -0.10 -1.36 0.00 0.00 0.00 173.10 171.41 3njh s PHE 65 N -0.49 0.87 -0.12 1.90 0.08 -1.26 -1.84 117.98 117.13 3njh s PHE 65 Ca 0.11 -0.21 0.15 0.00 0.12 0.00 0.00 56.93 57.10 3njh s PHE 65 Cb -0.12 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 3njh s PHE 65 CO 0.02 -0.01 1.18 0.28 -0.10 0.00 0.00 175.22 176.58 3njh h VAL 66 N 4.82 0.78 -2.03 -0.44 2.07 -1.99 -3.36 116.25 116.10 3njh h VAL 66 Ca -0.32 -2.23 -0.61 0.00 0.82 0.00 0.00 66.70 64.36 3njh h VAL 66 Cb 1.18 2.30 -0.41 0.00 -1.52 0.00 0.00 31.29 32.84 3njh h VAL 66 CO 0.48 0.45 -0.53 0.35 0.02 0.00 0.00 177.57 178.34 3njh n THR 67 N -3.10 3.04 0.09 2.57 -2.24 -1.26 -4.93 114.28 108.45 3njh n THR 67 Ca -0.03 -5.36 0.02 0.00 -2.27 0.00 0.00 64.05 56.41 3njh n THR 67 Cb 0.80 -1.36 0.12 0.00 -2.10 0.00 0.00 70.33 67.78 3njh n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3njh n PRO 68 N -0.32 0.02 -0.77 -0.78 -0.04 -1.26 -1.34 135.00 130.51 3njh n PRO 68 Ca 0.35 0.48 -0.03 0.00 -0.04 0.00 0.00 63.50 64.26 3njh n PRO 68 Cb 0.47 -1.56 0.22 0.00 -0.04 0.00 0.00 33.50 32.59 3njh n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3njh n PHE 69 N -1.60 1.35 0.65 0.54 3.72 -1.26 -4.63 117.46 116.23 3njh n PHE 69 Ca 0.00 -1.41 0.13 0.00 -0.05 0.00 0.00 57.45 56.12 3njh n PHE 69 Cb 0.03 -0.51 0.38 0.00 -0.94 0.00 0.00 39.48 38.44 3njh n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3njh n ASP 70 N -0.91 0.74 0.00 4.37 5.68 -0.45 -4.93 116.55 121.06 3njh n ASP 70 Ca 0.34 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 55.10 3njh n ASP 70 Cb 1.09 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3njh n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3njh n GLY 71 N 1.33 0.70 0.00 6.12 0.00 -1.26 -4.97 105.19 107.10 3njh n GLY 71 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3njh n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3njh n ILE 72 N -2.06 0.00 -2.52 -0.61 2.08 -1.26 -4.63 119.36 110.36 3njh n ILE 72 Ca 0.00 0.22 -0.42 0.00 0.56 0.00 0.00 62.75 63.11 3njh n ILE 72 Cb 0.00 -0.71 -0.03 0.00 -0.75 0.00 0.00 39.64 38.15 3njh n ILE 72 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3njh s ILE 73 N -0.44 4.33 -0.58 1.39 -1.09 -1.26 -4.58 121.20 118.97 3njh s ILE 73 Ca 0.00 1.67 0.17 0.00 -2.23 0.00 0.00 60.65 60.26 3njh s ILE 73 Cb 0.00 -4.07 -0.21 0.00 -1.58 0.00 0.00 42.46 36.60 3njh s ILE 73 CO 0.00 0.12 0.62 0.47 -1.23 0.00 0.00 174.94 174.92 3njh n ASP 74 N 4.03 0.86 -3.58 3.58 8.00 0.84 -4.92 116.55 125.35 3njh n ASP 74 Ca 0.08 -0.65 -0.13 0.00 0.71 0.00 0.00 54.79 54.80 3njh n ASP 74 Cb 0.48 1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 42.74 3njh n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3njh s ALA 75 N -2.76 -1.86 -0.10 2.24 0.00 -1.06 -4.99 121.76 113.23 3njh s ALA 75 Ca 0.03 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.65 3njh s ALA 75 Cb 0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3njh s ALA 75 CO 0.70 -0.32 -0.18 0.08 0.00 0.00 0.00 175.76 176.04 3njh s VAL 76 N -0.60 2.61 0.09 0.00 1.01 -1.26 -0.90 120.40 121.35 3njh s VAL 76 Ca -0.04 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.20 3njh s VAL 76 Cb -0.02 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3njh s VAL 76 CO 0.03 0.55 -0.25 -0.89 0.00 0.00 0.00 175.10 174.54 3njh s THR 77 N 0.08 2.30 -0.00 3.92 2.01 0.11 -4.95 115.64 119.11 3njh s THR 77 Ca -0.08 -1.57 0.01 0.00 0.31 0.00 0.00 61.69 60.36 3njh s THR 77 Cb -0.15 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.38 3njh s THR 77 CO 0.05 0.21 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.54 3njh s ILE 78 N -0.97 0.19 0.40 1.82 1.01 -1.26 0.14 121.20 122.54 3njh s ILE 78 Ca 0.14 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.47 3njh s ILE 78 Cb -0.10 -0.18 -0.10 0.00 0.01 0.00 0.00 42.46 42.09 3njh s ILE 78 CO 0.05 0.06 0.98 -0.94 0.00 0.00 0.00 174.94 175.09 3njh s SER 79 N 0.05 6.92 0.48 3.58 1.04 -0.68 -4.95 113.70 120.15 3njh s SER 79 Ca -0.00 1.84 0.23 0.00 0.48 0.00 0.00 55.95 58.50 3njh s SER 79 Cb -0.02 -2.56 1.27 0.00 0.10 0.00 0.00 66.02 64.80 3njh s SER 79 CO -0.00 -0.37 1.91 0.77 0.98 0.00 0.00 173.24 176.53 3njh h SER 80 N 2.33 0.19 -0.11 7.02 4.64 -1.99 -0.62 113.55 125.00 3njh h SER 80 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3njh h SER 80 Cb 1.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3njh h SER 80 CO 0.62 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 3njh n ASP 81 N -4.40 1.51 -0.00 4.97 5.75 -1.26 -4.95 116.55 118.17 3njh n ASP 81 Ca 0.16 -1.62 -0.00 0.00 -0.01 0.00 0.00 54.79 53.32 3njh n ASP 81 Cb 0.72 -0.07 -0.00 0.00 -1.03 0.00 0.00 41.12 40.75 3njh n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3njh n GLY 82 N 1.13 0.33 0.15 6.12 0.00 -0.24 -4.87 105.19 107.80 3njh n GLY 82 Ca 0.17 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3njh n GLY 82 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3njh h MET 83 N 0.65 0.00 -5.18 1.61 2.86 -1.89 -0.79 114.93 112.20 3njh h MET 83 Ca -0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 3njh h MET 83 Cb 0.35 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.82 3njh h MET 83 CO 0.00 0.10 -0.75 -0.51 1.06 0.00 0.00 176.91 176.81 3njh s LEU 84 N -5.82 2.36 -0.04 1.22 1.02 -1.26 -0.32 118.68 115.84 3njh s LEU 84 Ca 0.02 -0.74 -0.04 0.00 0.02 0.00 0.00 54.13 53.39 3njh s LEU 84 Cb 0.08 -0.43 0.01 0.00 0.02 0.00 0.00 46.19 45.87 3njh s LEU 84 CO 0.75 -0.17 0.11 0.68 0.02 0.00 0.00 176.35 177.74 3njh s VAL 85 N -1.96 0.00 0.07 -1.59 -7.23 -1.05 -1.68 120.40 106.96 3njh s VAL 85 Ca 0.03 -0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 3njh s VAL 85 Cb -0.06 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 3njh s VAL 85 CO 0.02 -0.02 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.49 3njh s GLN 86 N -0.01 1.22 -0.13 4.82 -0.21 0.12 -1.50 119.66 123.98 3njh s GLN 86 Ca -0.01 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.34 3njh s GLN 86 Cb -0.01 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.59 3njh s GLN 86 CO 0.00 0.34 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.90 3njh s LEU 87 N -1.51 2.89 -0.14 2.90 1.43 -0.31 -0.71 118.68 123.24 3njh s LEU 87 Ca 0.06 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3njh s LEU 87 Cb -0.09 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3njh s LEU 87 CO 0.03 0.18 -0.19 -0.69 0.23 0.00 0.00 176.35 175.91 3njh s VAL 88 N 0.27 2.37 -0.28 -1.59 1.01 -0.08 -1.33 120.40 120.77 3njh s VAL 88 Ca -0.07 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3njh s VAL 88 Cb -0.15 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 3njh s VAL 88 CO 0.05 0.54 0.09 -0.62 0.00 0.00 0.00 175.10 175.15 3njh s ASP 89 N 0.70 5.18 -0.02 3.32 2.15 -0.48 -0.11 116.67 127.40 3njh s ASP 89 Ca -0.09 -0.54 0.18 0.00 0.43 0.00 0.00 52.55 52.54 3njh s ASP 89 Cb -0.16 -1.91 0.55 0.00 -0.30 0.00 0.00 42.92 41.10 3njh s ASP 89 CO 0.01 -0.15 1.46 0.18 -0.17 0.00 0.00 175.17 176.50 3njh n LEU 90 N 4.90 3.74 0.00 -1.34 4.77 -1.26 -1.95 117.00 125.87 3njh n LEU 90 Ca -0.15 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 3njh n LEU 90 Cb 0.49 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3njh n LEU 90 CO 0.32 0.88 0.00 -0.90 -1.33 0.00 0.00 177.39 176.35 3njh n ASP 91 N 1.16 0.00 -1.00 -1.43 5.75 -1.26 -5.01 116.55 114.76 3njh n ASP 91 Ca 0.21 -0.41 0.08 0.00 -0.01 0.00 0.00 54.79 54.65 3njh n ASP 91 Cb 0.61 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.94 3njh n ASP 91 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3njh n LYS 92 N 0.00 3.13 -1.93 0.11 -0.00 -1.26 -4.46 118.16 113.75 3njh n LYS 92 Ca 0.00 -2.54 -0.42 0.00 -0.00 0.00 0.00 58.31 55.35 3njh n LYS 92 Cb 0.00 -1.62 -0.03 0.00 -0.00 0.00 0.00 35.03 33.38 3njh n LYS 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3njh s THR 93 N -1.78 3.45 0.51 0.58 2.01 -1.26 -5.01 115.64 114.14 3njh s THR 93 Ca 0.37 0.52 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 3njh s THR 93 Cb 0.25 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3njh s THR 93 CO 0.17 -0.11 0.81 -2.16 -0.69 0.00 0.00 174.62 172.65 3njh s PRO 94 N 4.51 3.36 0.00 4.92 0.04 -1.26 -4.72 135.00 141.84 3njh s PRO 94 Ca 0.78 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3njh s PRO 94 Cb -0.33 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3njh s PRO 94 CO 0.32 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.43 3njh n GLY 95 N -2.34 0.39 2.91 0.56 0.00 -0.06 -4.96 105.19 101.69 3njh n GLY 95 Ca 0.02 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 3njh n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3njh s THR 96 N -3.64 0.11 0.04 2.61 2.01 -1.26 0.12 115.64 115.63 3njh s THR 96 Ca 0.00 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3njh s THR 96 Cb 0.00 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 3njh s THR 96 CO 0.00 -0.07 -0.02 0.28 -0.69 0.00 0.00 174.62 174.12 3njh s THR 97 N -0.30 0.19 0.13 -0.82 -1.32 0.12 -4.99 115.64 108.65 3njh s THR 97 Ca -0.02 -1.55 0.04 0.00 -1.21 0.00 0.00 61.69 58.94 3njh s THR 97 Cb -0.02 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 3njh s THR 97 CO -0.00 -0.86 -0.10 -1.59 -2.21 0.00 0.00 174.62 169.87 3njh s LYS 98 N -3.27 0.98 0.11 7.08 -2.85 -1.26 -0.73 119.74 119.81 3njh s LYS 98 Ca 0.01 -1.37 -0.23 0.00 -1.00 0.00 0.00 55.97 53.37 3njh s LYS 98 Cb 0.03 -0.54 0.06 0.00 -2.06 0.00 0.00 37.83 35.33 3njh s LYS 98 CO -0.08 0.06 0.58 -0.59 0.10 0.00 0.00 175.35 175.43 3njh s PHE 99 N -3.19 -0.51 0.06 1.78 -0.12 -0.98 -4.28 117.98 110.72 3njh s PHE 99 Ca 0.14 0.42 0.07 0.00 -0.05 0.00 0.00 56.93 57.50 3njh s PHE 99 Cb 0.02 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 3njh s PHE 99 CO -0.00 -0.78 -0.19 -0.65 -0.05 0.00 0.00 175.22 173.55 3njh s GLN 100 N -3.25 1.17 0.32 1.99 -0.21 -0.76 -0.99 119.66 117.94 3njh s GLN 100 Ca -0.01 -0.94 -0.27 0.00 0.02 0.00 0.00 55.36 54.16 3njh s GLN 100 Cb -0.01 -1.29 -0.09 0.00 1.00 0.00 0.00 33.01 32.62 3njh s GLN 100 CO -0.08 0.32 1.05 -0.06 -2.12 0.00 0.00 175.29 174.39 3njh s PHE 101 N -0.92 3.53 -0.17 0.91 0.08 -1.26 -0.37 117.98 119.78 3njh s PHE 101 Ca 0.05 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.82 3njh s PHE 101 Cb -0.09 -3.15 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 3njh s PHE 101 CO 0.02 -0.37 -0.17 0.08 -0.10 0.00 0.00 175.22 174.68 3njh s VAL 102 N -1.38 2.41 0.03 -0.44 1.01 -0.75 -2.02 120.40 119.25 3njh s VAL 102 Ca 0.49 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3njh s VAL 102 Cb -0.26 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3njh s VAL 102 CO 0.33 0.52 -0.10 -0.76 0.00 0.00 0.00 175.10 175.09 3njh s LEU 103 N 1.11 2.15 0.71 3.92 1.02 -0.15 -0.87 118.68 126.58 3njh s LEU 103 Ca 0.00 -0.39 -0.08 0.00 0.02 0.00 0.00 54.13 53.69 3njh s LEU 103 Cb -0.14 -0.39 0.06 0.00 0.02 0.00 0.00 46.19 45.74 3njh s LEU 103 CO -0.06 -0.03 1.04 -0.94 0.02 0.00 0.00 176.35 176.38 3njh s SER 104 N -0.99 4.83 0.07 2.29 1.04 -0.32 0.15 113.70 120.77 3njh s SER 104 Ca -0.02 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 3njh s SER 104 Cb -0.07 -1.19 -0.00 0.00 0.10 0.00 0.00 66.02 64.86 3njh s SER 104 CO 0.01 -1.61 0.18 0.54 0.98 0.00 0.00 173.24 173.34 3njh s ASN 105 N -4.51 0.12 0.00 7.02 2.20 -1.26 -2.30 114.94 116.20 3njh s ASN 105 Ca 0.60 -0.60 0.26 0.00 -0.94 0.00 0.00 52.86 52.18 3njh s ASN 105 Cb -0.11 0.32 0.58 0.00 -2.00 0.00 0.00 41.25 40.05 3njh s ASN 105 CO 0.46 -0.68 1.47 0.35 -2.94 0.00 0.00 177.10 175.75 3njh n THR 106 N 0.13 0.00 0.06 0.54 -2.24 -0.60 -4.22 114.28 107.95 3njh n THR 106 Ca -0.16 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.21 3njh n THR 106 Cb 0.61 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 69.49 3njh n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njh h ALA 107 N 4.07 0.28 -3.48 6.98 0.00 -1.93 -3.49 119.26 121.70 3njh h ALA 107 Ca 0.00 -1.11 -0.17 0.00 0.00 0.00 0.00 54.91 53.63 3njh h ALA 107 Cb 0.64 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3njh h ALA 107 CO 0.00 1.14 -0.08 0.27 0.00 0.00 0.00 179.25 180.58 3njh n ASN 108 N -3.45 -0.91 -0.89 0.00 0.23 -1.26 -5.08 115.26 103.90 3njh n ASN 108 Ca -0.16 -2.22 0.10 0.00 -0.53 0.00 0.00 54.58 51.77 3njh n ASN 108 Cb 1.04 1.69 0.13 0.00 -2.08 0.00 0.00 39.78 40.56 3njh n ASN 108 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3njh n THR 109 N -0.37 0.23 -2.56 5.53 -2.24 -1.26 -4.42 114.28 109.19 3njh n THR 109 Ca 0.00 -0.62 -0.39 0.00 -2.27 0.00 0.00 64.05 60.77 3njh n THR 109 Cb 0.38 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 3njh n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3njh s LEU 110 N -1.53 4.45 0.43 3.22 1.02 -1.26 -5.01 118.68 120.00 3njh s LEU 110 Ca 0.28 2.13 -0.13 0.00 0.02 0.00 0.00 54.13 56.42 3njh s LEU 110 Cb 0.18 -3.79 -0.07 0.00 0.02 0.00 0.00 46.19 42.53 3njh s LEU 110 CO 0.26 -0.17 0.84 -0.76 0.02 0.00 0.00 176.35 176.54 3njh s LEU 111 N -1.74 3.80 -0.12 1.79 1.43 -1.26 -4.42 118.68 118.15 3njh s LEU 111 Ca 0.48 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 3njh s LEU 111 Cb -0.28 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 3njh s LEU 111 CO 0.35 -0.43 0.06 -0.69 0.23 0.00 0.00 176.35 175.87 3njh s VAL 112 N -2.39 4.79 -0.01 -1.59 1.01 0.41 -4.94 120.40 117.68 3njh s VAL 112 Ca 0.55 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3njh s VAL 112 Cb -0.10 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3njh s VAL 112 CO 0.29 0.57 -0.26 -0.76 0.00 0.00 0.00 175.10 174.93 3njh s LEU 113 N -0.54 2.06 0.25 3.92 1.43 -1.26 -0.98 118.68 123.56 3njh s LEU 113 Ca 0.10 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3njh s LEU 113 Cb -0.12 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.70 3njh s LEU 113 CO 0.02 0.31 1.20 -0.94 0.23 0.00 0.00 176.35 177.17 3njh s SER 114 N -0.68 7.06 0.09 2.29 1.04 -0.86 -4.95 113.70 117.69 3njh s SER 114 Ca 0.10 2.36 -0.10 0.00 0.48 0.00 0.00 55.95 58.80 3njh s SER 114 Cb -0.10 -2.62 -0.19 0.00 0.10 0.00 0.00 66.02 63.21 3njh s SER 114 CO -0.01 -0.35 1.21 1.55 0.98 0.00 0.00 173.24 176.63 3njh h PRO 115 N 4.40 0.54 -4.90 4.02 0.13 -1.96 -3.42 132.00 130.81 3njh h PRO 115 Ca -0.46 -0.63 -0.64 0.00 -0.87 0.00 0.00 66.00 63.40 3njh h PRO 115 Cb 1.22 0.19 -0.17 0.00 0.13 0.00 0.00 31.00 32.36 3njh h PRO 115 CO 0.70 1.24 -0.52 -0.51 -0.23 0.00 0.00 178.00 178.68 3njh s ASP 116 N -7.23 5.98 0.28 1.44 1.01 -1.26 -5.05 116.67 111.84 3njh s ASP 116 Ca -0.08 -0.02 -0.30 0.00 0.71 0.00 0.00 52.55 52.87 3njh s ASP 116 Cb 0.07 -2.11 -0.11 0.00 1.01 0.00 0.00 42.92 41.78 3njh s ASP 116 CO 0.90 -0.05 1.53 -2.84 0.21 0.00 0.00 175.17 174.92 3njh s PRO 117 N 1.75 4.17 0.20 8.23 0.02 -1.26 -4.89 135.00 143.23 3njh s PRO 117 Ca 0.07 2.48 -0.20 0.00 0.02 0.00 0.00 61.00 63.37 3njh s PRO 117 Cb -0.16 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.23 3njh s PRO 117 CO 0.11 -0.55 0.72 -0.65 -0.33 0.00 0.00 177.00 176.30 3njh s GLN 118 N -0.60 4.28 -0.12 5.54 -1.52 -0.16 -4.85 119.66 122.23 3njh s GLN 118 Ca 0.61 0.89 -0.01 0.00 -1.95 0.00 0.00 55.36 54.89 3njh s GLN 118 Cb -0.46 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 29.35 3njh s GLN 118 CO 0.48 0.44 -0.07 0.42 -0.25 0.00 0.00 175.29 176.30 3njh s ILE 119 N -1.44 3.61 -0.14 1.08 -1.09 -1.26 -2.33 121.20 119.63 3njh s ILE 119 Ca 0.41 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 3njh s ILE 119 Cb -0.18 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3njh s ILE 119 CO 0.21 0.53 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.68 3njh s ILE 120 N 0.00 2.78 -0.24 2.92 1.01 0.10 -0.83 121.20 126.94 3njh s ILE 120 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 3njh s ILE 120 Cb -0.14 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.18 3njh s ILE 120 CO 0.03 0.52 -0.04 0.20 0.00 0.00 0.00 174.94 175.66 3njh s ASN 121 N 0.54 4.37 -0.60 3.58 0.02 -0.17 -0.70 114.94 121.98 3njh s ASN 121 Ca -0.10 -0.56 -0.10 0.00 -1.02 0.00 0.00 52.86 51.08 3njh s ASN 121 Cb -0.16 -1.73 0.15 0.00 0.02 0.00 0.00 41.25 39.54 3njh s ASN 121 CO 0.04 -0.07 0.49 -0.60 0.02 0.00 0.00 177.10 176.98 3njh s ARG 122 N 1.44 2.83 0.79 -0.60 3.00 0.12 -2.15 118.95 124.37 3njh s ARG 122 Ca 0.04 -2.08 -0.12 0.00 -1.00 0.00 0.00 55.73 52.57 3njh s ARG 122 Cb -0.15 -4.06 0.07 0.00 0.00 0.00 0.00 34.95 30.81 3njh s ARG 122 CO -0.03 -1.23 1.14 -2.14 0.00 0.00 0.00 175.30 173.03 3njh s PRO 123 N 0.81 1.96 0.00 5.12 0.02 -1.25 -0.88 135.00 140.78 3njh s PRO 123 Ca 0.11 1.44 0.32 0.00 0.02 0.00 0.00 61.00 62.89 3njh s PRO 123 Cb -0.22 -1.84 1.90 0.00 0.02 0.00 0.00 34.50 34.36 3njh s PRO 123 CO -0.03 -1.91 2.23 0.00 -0.33 0.00 0.00 177.00 176.96