#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnx s THR 2 N 0.00 0.31 0.09 0.00 2.01 -0.59 -5.03 115.64 112.42 2nnx s THR 2 Ca 0.00 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.01 2nnx s THR 2 Cb 0.00 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2nnx s THR 2 CO 0.00 -0.48 -0.14 -0.54 -0.69 0.00 0.00 174.62 172.77 2nnx s LYS 3 N -1.68 0.89 0.10 4.92 1.02 -1.26 -1.80 119.74 121.92 2nnx s LYS 3 Ca -0.12 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.80 2nnx s LYS 3 Cb -0.09 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 2nnx s LYS 3 CO -0.01 0.18 0.04 0.00 -0.92 0.00 0.00 175.35 174.64 2nnx s ALA 4 N -1.61 0.61 0.02 5.17 0.00 -0.70 -1.88 121.76 123.36 2nnx s ALA 4 Ca 0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2nnx s ALA 4 Cb -0.08 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 2nnx s ALA 4 CO 0.02 -0.45 0.09 0.54 0.00 0.00 0.00 175.76 175.97 2nnx s VAL 5 N -3.98 0.11 -0.05 0.00 0.11 -0.15 -1.13 120.40 115.32 2nnx s VAL 5 Ca 0.16 -0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 2nnx s VAL 5 Cb 0.07 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2nnx s VAL 5 CO -0.04 -0.50 0.10 0.00 -3.33 0.00 0.00 175.10 171.33 2nnx s VAL 7 N 1.05 4.64 -0.16 0.00 1.01 -1.26 -0.58 120.40 125.10 2nnx s VAL 7 Ca -0.08 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2nnx s VAL 7 Cb -0.11 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2nnx s VAL 7 CO -0.04 -0.07 0.54 -0.76 0.00 0.00 0.00 175.10 174.76 2nnx s LEU 8 N 1.60 4.20 0.03 3.92 2.01 -0.23 -3.91 118.68 126.30 2nnx s LEU 8 Ca 0.04 0.79 -0.03 0.00 0.01 0.00 0.00 54.13 54.94 2nnx s LEU 8 Cb -0.18 -2.77 -0.02 0.00 0.01 0.00 0.00 46.19 43.23 2nnx s LEU 8 CO 0.07 -0.14 0.03 -0.54 1.01 0.00 0.00 176.35 176.78 2nnx s LYS 9 N 1.31 0.49 0.00 1.70 1.02 -0.77 -1.94 119.74 121.54 2nnx s LYS 9 Ca 0.27 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2nnx s LYS 9 Cb -0.16 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2nnx s LYS 9 CO 0.11 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2nnx n GLY 10 N 0.96 4.91 0.00 -3.33 0.00 -1.23 -1.54 105.19 104.96 2nnx n GLY 10 Ca -0.20 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.63 2nnx n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nnx n ASP 11 N 0.00 0.63 0.00 1.61 8.00 -1.26 -4.96 116.55 120.57 2nnx n ASP 11 Ca 0.00 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2nnx n ASP 11 Cb 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2nnx n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nnx n GLY 12 N 1.49 4.50 0.05 0.44 0.00 -1.26 -5.03 105.19 105.38 2nnx n GLY 12 Ca 0.05 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.47 2nnx n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nnx n PRO 13 N 0.00 0.14 -2.53 1.61 -0.04 -1.26 -4.87 135.00 128.04 2nnx n PRO 13 Ca 0.00 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 2nnx n PRO 13 Cb 0.00 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 2nnx n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nnx s VAL 14 N -3.06 4.47 -0.02 0.52 1.01 -1.26 -4.20 120.40 117.86 2nnx s VAL 14 Ca 0.11 1.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.79 2nnx s VAL 14 Cb 0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2nnx s VAL 14 CO 0.59 -0.15 0.16 -1.58 0.00 0.00 0.00 175.10 174.13 2nnx s GLN 15 N 3.29 0.41 -0.01 2.72 0.74 -0.54 -3.53 119.66 122.75 2nnx s GLN 15 Ca 0.50 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.42 2nnx s GLN 15 Cb -0.19 0.18 0.11 0.00 1.10 0.00 0.00 33.01 34.21 2nnx s GLN 15 CO 0.11 -0.09 1.16 0.20 -0.55 0.00 0.00 175.29 176.12 2nnx s GLY 16 N -0.93 -0.35 -0.10 2.59 0.00 -0.82 0.41 107.32 108.12 2nnx s GLY 16 Ca -0.10 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2nnx s GLY 16 CO 0.01 0.19 -0.08 -0.42 0.00 0.00 0.00 173.10 172.80 2nnx s ILE 17 N -2.69 1.01 -0.12 0.90 1.01 -0.06 -1.07 121.20 120.18 2nnx s ILE 17 Ca 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2nnx s ILE 17 Cb 0.02 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2nnx s ILE 17 CO -0.03 0.35 -0.21 -0.63 0.00 0.00 0.00 174.94 174.43 2nnx s ILE 18 N 1.41 1.90 -0.09 2.92 -1.09 0.25 -1.80 121.20 124.69 2nnx s ILE 18 Ca -0.01 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.48 2nnx s ILE 18 Cb -0.13 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 2nnx s ILE 18 CO -0.05 0.52 0.07 0.20 -1.23 0.00 0.00 174.94 174.45 2nnx s ASN 19 N 0.74 5.73 -0.03 3.58 -0.87 0.21 -0.16 114.94 124.15 2nnx s ASN 19 Ca -0.10 0.27 0.07 0.00 -1.57 0.00 0.00 52.86 51.53 2nnx s ASN 19 Cb -0.16 -1.72 -0.02 0.00 -0.02 0.00 0.00 41.25 39.33 2nnx s ASN 19 CO 0.01 0.38 -0.26 -0.36 -2.57 0.00 0.00 177.10 174.30 2nnx s PHE 20 N -0.98 2.36 -0.01 2.20 0.08 -0.28 -0.96 117.98 120.38 2nnx s PHE 20 Ca 0.15 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.68 2nnx s PHE 20 Cb -0.12 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2nnx s PHE 20 CO 0.05 -0.10 0.01 -2.00 -0.10 0.00 0.00 175.22 173.08 2nnx s GLU 21 N -0.47 0.03 -0.11 0.44 2.12 0.07 -1.72 118.70 119.06 2nnx s GLU 21 Ca 0.06 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.48 2nnx s GLU 21 Cb -0.11 -0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.11 2nnx s GLU 21 CO 0.00 -0.10 -0.06 -1.14 -0.54 0.00 0.00 175.26 173.43 2nnx s GLN 22 N 0.67 1.33 0.24 4.30 0.74 -0.74 -0.19 119.66 125.99 2nnx s GLN 22 Ca -0.06 -0.18 0.12 0.00 0.05 0.00 0.00 55.36 55.29 2nnx s GLN 22 Cb -0.08 -1.47 0.10 0.00 1.10 0.00 0.00 33.01 32.65 2nnx s GLN 22 CO -0.02 -0.28 1.45 -0.22 -0.55 0.00 0.00 175.29 175.67 2nnx h LYS 23 N 8.21 0.00 -3.07 1.67 3.64 -1.85 -1.57 116.57 123.60 2nnx h LYS 23 Ca -0.27 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 2nnx h LYS 23 Cb 1.13 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.73 2nnx h LYS 23 CO 0.38 0.68 -0.32 -2.00 -2.27 0.00 0.00 179.45 175.91 2nnx s GLU 24 N -3.05 0.56 0.51 1.90 -6.30 -1.26 -3.84 118.70 107.23 2nnx s GLU 24 Ca 0.02 -0.05 0.29 0.00 -2.50 0.00 0.00 54.97 52.73 2nnx s GLU 24 Cb 0.10 0.25 1.40 0.00 0.00 0.00 0.00 34.13 35.88 2nnx s GLU 24 CO 0.77 -0.14 1.89 0.66 0.02 0.00 0.00 175.26 178.45 2nnx h SER 25 N 4.40 0.08 -0.14 -1.70 4.64 -1.99 0.13 113.55 118.97 2nnx h SER 25 Ca -0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2nnx h SER 25 Cb 1.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nnx h SER 25 CO 0.38 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.96 2nnx n ASN 26 N -4.33 2.41 -4.55 4.97 5.03 -1.26 -4.81 115.26 112.72 2nnx n ASN 26 Ca 0.18 -1.69 -0.29 0.00 0.87 0.00 0.00 54.58 53.65 2nnx n ASN 26 Cb 0.90 -0.09 0.17 0.00 -1.02 0.00 0.00 39.78 39.74 2nnx n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2nnx s GLY 27 N -1.07 1.58 0.69 7.41 0.00 0.46 -5.00 107.32 111.40 2nnx s GLY 27 Ca 0.19 -0.59 -0.17 0.00 0.00 0.00 0.00 44.72 44.15 2nnx s GLY 27 CO 0.17 0.06 1.21 -1.05 0.00 0.00 0.00 173.10 173.49 2nnx n PRO 28 N -4.08 0.84 -4.20 2.90 -0.02 -1.26 -4.89 135.00 124.30 2nnx n PRO 28 Ca 0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2nnx n PRO 28 Cb 0.59 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 2nnx n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nnx s VAL 29 N -1.59 4.33 -0.21 -1.45 1.01 0.12 -4.36 120.40 118.25 2nnx s VAL 29 Ca 0.79 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 2nnx s VAL 29 Cb -0.36 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2nnx s VAL 29 CO 0.44 0.47 0.53 -0.75 0.00 0.00 0.00 175.10 175.79 2nnx s LYS 30 N 0.39 4.18 -0.21 2.72 2.20 0.73 -1.24 119.74 128.50 2nnx s LYS 30 Ca -0.00 0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2nnx s LYS 30 Cb -0.13 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2nnx s LYS 30 CO 0.02 -0.18 -0.09 0.08 -0.36 0.00 0.00 175.35 174.81 2nnx s VAL 31 N 1.75 2.90 0.03 4.02 1.01 -0.05 -0.75 120.40 129.32 2nnx s VAL 31 Ca 0.24 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2nnx s VAL 31 Cb -0.15 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2nnx s VAL 31 CO 0.10 0.43 0.33 -1.66 0.00 0.00 0.00 175.10 174.29 2nnx s TRP 32 N 1.40 -0.15 -4.55 5.22 -2.14 -0.14 -0.02 118.94 118.56 2nnx s TRP 32 Ca 0.05 0.08 0.00 0.00 2.66 0.00 0.00 56.10 58.89 2nnx s TRP 32 Cb -0.14 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 2nnx s TRP 32 CO -0.06 -0.49 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 2nnx n GLY 33 N 0.70 -0.51 3.08 3.67 0.00 -0.87 0.68 105.19 111.95 2nnx n GLY 33 Ca -0.19 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 2nnx n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nnx s SER 34 N -4.00 -0.16 -0.07 1.61 0.15 -0.75 -1.40 113.70 109.08 2nnx s SER 34 Ca 0.00 0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.96 2nnx s SER 34 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2nnx s SER 34 CO 0.00 -0.13 -0.18 -0.63 1.20 0.00 0.00 173.24 173.50 2nnx s ILE 35 N -0.19 1.53 0.44 6.45 1.01 -0.55 -0.88 121.20 129.01 2nnx s ILE 35 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2nnx s ILE 35 Cb -0.03 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2nnx s ILE 35 CO 0.01 0.44 0.03 -1.59 0.00 0.00 0.00 174.94 173.82 2nnx s LYS 36 N 0.33 2.02 0.00 2.79 -2.85 0.16 -0.40 119.74 121.80 2nnx s LYS 36 Ca -0.12 -2.22 0.00 0.00 -1.00 0.00 0.00 55.97 52.63 2nnx s LYS 36 Cb -0.15 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.24 2nnx s LYS 36 CO 0.05 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.66 2nnx n GLY 37 N -1.06 0.49 3.89 0.59 0.00 -1.16 -1.47 105.19 106.47 2nnx n GLY 37 Ca -0.11 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 2nnx n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnx s LEU 38 N 0.00 4.27 0.22 0.99 1.43 -0.94 -4.16 118.68 120.50 2nnx s LEU 38 Ca 0.00 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2nnx s LEU 38 Cb 0.00 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 2nnx s LEU 38 CO 0.00 0.06 1.16 0.42 0.23 0.00 0.00 176.35 178.22 2nnx s THR 39 N -1.63 3.52 0.16 5.49 -4.23 -1.26 -4.07 115.64 113.62 2nnx s THR 39 Ca 0.40 1.38 -0.33 0.00 -1.18 0.00 0.00 61.69 61.95 2nnx s THR 39 Cb -0.12 -3.88 -0.16 0.00 1.34 0.00 0.00 72.50 69.68 2nnx s THR 39 CO 0.23 0.27 1.23 1.21 -0.54 0.00 0.00 174.62 177.02 2nnx n GLU 40 N 1.94 1.26 0.00 3.99 2.13 -1.26 -4.67 120.64 124.03 2nnx n GLU 40 Ca 0.02 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2nnx n GLU 40 Cb 0.45 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.16 2nnx n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nnx n GLY 41 N 2.17 0.48 3.76 8.31 0.00 -0.02 -4.93 105.19 114.96 2nnx n GLY 41 Ca 0.15 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 2nnx n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnx s LEU 42 N 0.00 4.50 -0.05 0.99 1.43 -1.26 -0.06 118.68 124.23 2nnx s LEU 42 Ca 0.00 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2nnx s LEU 42 Cb 0.00 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 43.06 2nnx s LEU 42 CO 0.00 0.11 -0.05 -1.00 0.23 0.00 0.00 176.35 175.64 2nnx s HIS 43 N -0.51 0.83 0.26 0.29 3.76 0.46 -2.70 115.29 117.67 2nnx s HIS 43 Ca 0.36 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.72 2nnx s HIS 43 Cb -0.21 -0.72 -0.13 0.00 1.11 0.00 0.00 32.58 32.63 2nnx s HIS 43 CO 0.23 -0.21 1.35 0.41 -0.85 0.00 0.00 174.74 175.67 2nnx n GLY 44 N 4.07 0.64 2.71 -2.22 0.00 0.02 -1.24 105.19 109.18 2nnx n GLY 44 Ca -0.24 0.45 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 2nnx n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nnx s PHE 45 N -0.34 -0.06 0.25 1.61 5.36 -0.34 -0.13 117.98 124.33 2nnx s PHE 45 Ca 0.65 0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 56.56 2nnx s PHE 45 Cb -0.64 -0.48 0.01 0.00 -0.34 0.00 0.00 43.02 41.57 2nnx s PHE 45 CO 0.53 -0.47 0.55 -0.98 -1.46 0.00 0.00 175.22 173.38 2nnx s ARG 46 N 2.24 1.59 -0.24 10.12 3.03 -0.98 -2.62 118.95 132.09 2nnx s ARG 46 Ca 0.04 -1.14 -0.09 0.00 2.03 0.00 0.00 55.73 56.57 2nnx s ARG 46 Cb -0.15 0.51 -0.04 0.00 -1.03 0.00 0.00 34.95 34.24 2nnx s ARG 46 CO -0.09 -0.68 0.12 0.08 -1.13 0.00 0.00 175.30 173.59 2nnx s VAL 47 N -3.98 4.89 0.31 4.99 1.01 -0.11 -1.05 120.40 126.46 2nnx s VAL 47 Ca 0.18 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 2nnx s VAL 47 Cb -0.02 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 2nnx s VAL 47 CO 0.07 0.35 0.69 -1.10 0.00 0.00 0.00 175.10 175.11 2nnx s GLN 48 N 1.24 3.92 0.21 2.72 -0.21 0.19 -0.41 119.66 127.32 2nnx s GLN 48 Ca 0.06 0.53 -0.10 0.00 0.02 0.00 0.00 55.36 55.88 2nnx s GLN 48 Cb -0.14 -2.48 0.23 0.00 1.00 0.00 0.00 33.01 31.61 2nnx s GLN 48 CO 0.05 0.17 1.81 1.49 -2.12 0.00 0.00 175.29 176.68 2nnx h GLU 49 N 2.17 0.65 -5.91 2.91 4.81 -0.82 -2.70 114.58 115.69 2nnx h GLU 49 Ca -0.48 -0.04 -0.65 0.00 -0.13 0.00 0.00 59.36 58.07 2nnx h GLU 49 Cb 1.18 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 2nnx h GLU 49 CO 0.66 0.43 -0.54 -0.06 -0.73 0.00 0.00 179.01 178.77 2nnx s PHE 50 N -6.10 3.41 -0.43 0.92 0.08 -0.15 -4.68 117.98 111.03 2nnx s PHE 50 Ca -0.13 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.16 2nnx s PHE 50 Cb 0.16 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2nnx s PHE 50 CO 0.76 0.60 2.95 0.41 -0.10 0.00 0.00 175.22 179.83 2nnx n GLY 51 N 1.12 4.10 3.11 4.36 0.00 -0.91 -3.11 105.19 113.85 2nnx n GLY 51 Ca -0.12 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2nnx n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nnx s ASP 52 N 0.76 4.61 -0.17 1.61 -1.08 -1.26 -4.94 116.67 116.19 2nnx s ASP 52 Ca 0.61 -1.35 0.14 0.00 -0.52 0.00 0.00 52.55 51.43 2nnx s ASP 52 Cb 0.35 -1.61 0.38 0.00 -1.46 0.00 0.00 42.92 40.59 2nnx s ASP 52 CO -0.16 -0.21 1.20 0.59 0.52 0.00 0.00 175.17 177.10 2nnx n ASN 53 N 4.50 1.74 -0.10 -0.34 3.02 -1.26 -1.25 115.26 121.58 2nnx n ASN 53 Ca -0.14 -3.54 -0.03 0.00 -0.03 0.00 0.00 54.58 50.85 2nnx n ASN 53 Cb 0.43 -0.48 0.21 0.00 -0.61 0.00 0.00 39.78 39.32 2nnx n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2nnx h THR 54 N 1.42 1.22 -0.66 3.41 1.35 -1.93 -2.59 112.91 115.15 2nnx h THR 54 Ca -0.02 -0.86 -0.46 0.00 -0.55 0.00 0.00 66.41 64.53 2nnx h THR 54 Cb 1.08 0.78 -0.31 0.00 -1.73 0.00 0.00 68.15 67.98 2nnx h THR 54 CO 0.01 0.31 -0.34 0.00 -0.25 0.00 0.00 175.52 175.25 2nnx n ALA 55 N -2.47 5.02 0.00 6.62 0.00 -1.26 -5.08 120.51 123.33 2nnx n ALA 55 Ca 0.03 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.90 2nnx n ALA 55 Cb 0.25 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2nnx n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnx n GLY 56 N -0.87 -1.46 0.30 0.00 0.00 -0.98 -4.28 105.19 97.91 2nnx n GLY 56 Ca 0.43 -1.31 0.19 0.00 0.00 0.00 0.00 46.02 45.33 2nnx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnx h THR 58 N 0.00 1.12 0.00 0.00 2.02 -1.89 -2.74 112.91 111.43 2nnx h THR 58 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2nnx h THR 58 Cb 0.35 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2nnx h THR 58 CO 0.00 0.17 0.10 0.28 0.37 0.00 0.00 175.52 176.44 2nnx h SER 59 N 0.95 0.00 0.85 4.18 0.02 -1.68 -2.00 113.55 115.87 2nnx h SER 59 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2nnx h SER 59 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2nnx h SER 59 CO -0.10 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.59 2nnx h ALA 60 N 1.80 1.00 -0.22 3.77 0.00 -0.85 -3.42 119.26 121.34 2nnx h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nnx h ALA 60 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2nnx h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2nnx n GLY 61 N 0.10 -0.81 3.68 0.00 0.00 -0.75 -0.98 105.19 106.43 2nnx n GLY 61 Ca 0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 2nnx n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnx s PRO 62 N 0.00 0.82 0.43 1.61 0.04 -1.26 -4.57 135.00 132.08 2nnx s PRO 62 Ca 0.00 0.81 -0.25 0.00 0.04 0.00 0.00 61.00 61.60 2nnx s PRO 62 Cb 0.00 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2nnx s PRO 62 CO 0.00 -2.54 1.31 0.72 0.04 0.00 0.00 177.00 176.53 2nnx n HIS 63 N -4.09 2.25 -1.68 0.56 8.25 -1.26 -0.73 115.22 118.53 2nnx n HIS 63 Ca 0.06 0.49 -0.46 0.00 -0.26 0.00 0.00 57.72 57.55 2nnx n HIS 63 Cb 0.55 -2.39 -0.04 0.00 1.12 0.00 0.00 29.99 29.23 2nnx n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2nnx n PHE 64 N -0.22 2.40 -2.98 4.41 7.35 0.46 -4.43 117.46 124.44 2nnx n PHE 64 Ca 0.06 -0.12 -0.16 0.00 -0.76 0.00 0.00 57.45 56.48 2nnx n PHE 64 Cb 0.40 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.52 2nnx n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2nnx n ASN 65 N 6.76 -1.03 0.13 -2.13 5.15 -1.26 -1.40 115.26 121.49 2nnx n ASN 65 Ca 0.22 -3.11 0.12 0.00 -0.60 0.00 0.00 54.58 51.21 2nnx n ASN 65 Cb 0.33 0.53 0.49 0.00 -0.53 0.00 0.00 39.78 40.60 2nnx n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2nnx n PRO 66 N 1.08 0.20 -0.26 1.20 -0.04 -1.26 -2.63 135.00 133.28 2nnx n PRO 66 Ca 0.16 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2nnx n PRO 66 Cb 0.61 -1.88 0.27 0.00 -0.04 0.00 0.00 33.50 32.47 2nnx n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nnx n LEU 67 N -2.26 3.36 -3.72 1.53 4.77 -1.26 -4.97 117.00 114.45 2nnx n LEU 67 Ca 0.02 -1.58 -0.24 0.00 -0.03 0.00 0.00 56.01 54.18 2nnx n LEU 67 Cb 0.24 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2nnx n LEU 67 CO 0.20 0.79 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.75 2nnx n SER 68 N 1.37 -2.28 -4.90 -1.43 7.64 -1.08 -4.99 113.62 107.95 2nnx n SER 68 Ca 0.21 -0.90 -0.24 0.00 1.01 0.00 0.00 58.87 58.95 2nnx n SER 68 Cb 0.56 -3.74 -0.01 0.00 -1.01 0.00 0.00 64.21 60.01 2nnx n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2nnx s ARG 69 N -6.01 2.34 0.38 1.43 0.52 -1.26 -5.12 118.95 111.23 2nnx s ARG 69 Ca 0.14 -1.82 -0.07 0.00 -0.52 0.00 0.00 55.73 53.46 2nnx s ARG 69 Cb -0.04 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 2nnx s ARG 69 CO 0.84 -0.49 0.70 0.15 0.02 0.00 0.00 175.30 176.51 2nnx s LYS 70 N -4.26 3.68 0.40 3.54 1.02 -1.26 -4.74 119.74 118.12 2nnx s LYS 70 Ca 0.42 0.25 -0.27 0.00 0.02 0.00 0.00 55.97 56.39 2nnx s LYS 70 Cb -0.03 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2nnx s LYS 70 CO 0.25 0.01 1.38 -1.58 -0.92 0.00 0.00 175.35 174.50 2nnx s HIS 71 N -2.35 2.69 0.39 3.18 5.65 -0.12 -3.06 115.29 121.67 2nnx s HIS 71 Ca 0.48 1.31 -0.15 0.00 0.25 0.00 0.00 55.06 56.95 2nnx s HIS 71 Cb -0.10 -3.83 0.06 0.00 -1.18 0.00 0.00 32.58 27.52 2nnx s HIS 71 CO 0.34 -2.52 0.80 0.20 -0.65 0.00 0.00 174.74 172.90 2nnx s GLY 72 N -0.49 0.41 0.83 1.59 0.00 -1.24 -4.37 107.32 104.04 2nnx s GLY 72 Ca 0.56 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 2nnx s GLY 72 CO 0.55 -0.31 1.09 -0.32 0.00 0.00 0.00 173.10 174.12 2nnx s GLY 73 N -3.09 1.65 0.58 0.20 0.00 -1.16 -4.74 107.32 100.76 2nnx s GLY 73 Ca 0.16 0.11 0.34 0.00 0.00 0.00 0.00 44.72 45.34 2nnx s GLY 73 CO 0.12 0.52 2.16 -0.56 0.00 0.00 0.00 173.10 175.34 2nnx h PRO 74 N -1.31 0.00 -0.37 2.90 0.13 -1.90 -2.09 132.00 129.36 2nnx h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2nnx h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2nnx h PRO 74 CO 0.53 0.05 0.00 0.36 -0.23 0.00 0.00 178.00 178.71 2nnx n LYS 75 N -3.36 2.48 -2.81 0.86 2.85 -1.26 -4.95 118.16 111.96 2nnx n LYS 75 Ca -0.02 -2.23 -0.39 0.00 -1.05 0.00 0.00 58.31 54.62 2nnx n LYS 75 Cb 0.19 -1.51 -0.06 0.00 -0.65 0.00 0.00 35.03 33.00 2nnx n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2nnx s ASP 76 N -1.51 7.52 0.30 -5.58 1.01 -0.79 -4.98 116.67 112.64 2nnx s ASP 76 Ca 0.38 1.85 0.25 0.00 0.71 0.00 0.00 52.55 55.75 2nnx s ASP 76 Cb 0.23 -2.58 0.99 0.00 1.01 0.00 0.00 42.92 42.57 2nnx s ASP 76 CO 0.32 0.12 1.76 1.05 0.21 0.00 0.00 175.17 178.62 2nnx h GLU 77 N 3.96 0.00 -4.62 8.23 4.11 -1.92 -3.36 114.58 120.99 2nnx h GLU 77 Ca -0.46 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.27 2nnx h GLU 77 Cb 1.20 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.15 2nnx h GLU 77 CO 0.67 0.00 -0.59 -1.21 0.07 0.00 0.00 179.01 177.95 2nnx s GLU 78 N -3.33 2.48 0.15 1.06 0.41 -1.26 -5.08 118.70 113.13 2nnx s GLU 78 Ca 0.05 -1.36 -0.15 0.00 -0.41 0.00 0.00 54.97 53.10 2nnx s GLU 78 Cb 0.10 -3.49 0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2nnx s GLU 78 CO 0.46 -0.78 0.40 -0.98 -0.49 0.00 0.00 175.26 173.87 2nnx s ARG 79 N 1.33 1.16 0.41 1.61 1.04 -1.17 -3.68 118.95 119.65 2nnx s ARG 79 Ca 0.00 -0.85 -0.24 0.00 -1.04 0.00 0.00 55.73 53.60 2nnx s ARG 79 Cb -0.21 0.46 -0.08 0.00 -2.04 0.00 0.00 34.95 33.08 2nnx s ARG 79 CO 0.01 -0.46 1.11 -1.01 -0.04 0.00 0.00 175.30 174.92 2nnx s HIS 80 N -3.86 3.11 0.30 5.89 3.76 -1.19 -4.65 115.29 118.66 2nnx s HIS 80 Ca 0.07 1.59 0.06 0.00 -0.15 0.00 0.00 55.06 56.63 2nnx s HIS 80 Cb 0.01 -3.27 0.77 0.00 1.11 0.00 0.00 32.58 31.20 2nnx s HIS 80 CO -0.07 -1.05 1.72 0.28 -0.85 0.00 0.00 174.74 174.77 2nnx h VAL 81 N 2.15 0.55 0.00 -0.90 2.07 -1.86 -1.03 116.25 117.23 2nnx h VAL 81 Ca -0.49 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2nnx h VAL 81 Cb 1.23 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2nnx h VAL 81 CO 0.62 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.91 2nnx n GLY 82 N -1.32 -0.72 3.55 2.17 0.00 -0.49 -4.16 105.19 104.22 2nnx n GLY 82 Ca 0.23 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2nnx n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nnx s ASP 83 N -2.24 6.24 -0.22 1.61 1.01 -0.39 -0.94 116.67 121.74 2nnx s ASP 83 Ca 0.24 -0.33 0.14 0.00 0.71 0.00 0.00 52.55 53.31 2nnx s ASP 83 Cb 0.13 -2.55 0.54 0.00 1.01 0.00 0.00 42.92 42.05 2nnx s ASP 83 CO 0.25 -1.71 1.47 0.18 0.21 0.00 0.00 175.17 175.56 2nnx n LEU 84 N 8.98 4.13 0.00 1.23 4.77 -1.08 -3.88 117.00 131.16 2nnx n LEU 84 Ca 0.04 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 2nnx n LEU 84 Cb 0.49 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2nnx n LEU 84 CO 0.71 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 2nnx n GLY 85 N -0.68 1.83 3.24 -0.72 0.00 -1.15 -4.75 105.19 102.96 2nnx n GLY 85 Ca 0.26 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2nnx n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nnx s ASN 86 N -4.00 2.58 0.13 1.61 0.01 -1.26 -1.20 114.94 112.82 2nnx s ASN 86 Ca 0.00 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 2nnx s ASN 86 Cb 0.00 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.27 2nnx s ASN 86 CO 0.00 0.26 0.31 0.68 -1.51 0.00 0.00 177.10 176.84 2nnx s VAL 87 N -0.45 5.28 -0.24 1.60 -7.23 -0.37 -4.89 120.40 114.10 2nnx s VAL 87 Ca 0.07 -0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.86 2nnx s VAL 87 Cb -0.09 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2nnx s VAL 87 CO -0.00 -0.01 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.85 2nnx s THR 88 N -1.68 3.29 -0.04 5.32 2.01 -1.26 -0.41 115.64 122.86 2nnx s THR 88 Ca 0.37 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 2nnx s THR 88 Cb -0.12 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2nnx s THR 88 CO 0.28 0.32 0.59 0.00 -0.69 0.00 0.00 174.62 175.12 2nnx s ALA 89 N 1.44 3.45 1.00 7.40 0.00 0.92 -4.18 121.76 131.79 2nnx s ALA 89 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2nnx s ALA 89 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2nnx s ALA 89 CO -0.03 0.07 0.00 -0.40 0.00 0.00 0.00 175.76 175.40 2nnx n ASP 90 N 3.17 -0.19 0.27 0.00 5.68 -0.28 -0.84 116.55 124.36 2nnx n ASP 90 Ca -0.06 -0.87 0.13 0.00 -0.50 0.00 0.00 54.79 53.49 2nnx n ASP 90 Cb 0.51 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.25 2nnx n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2nnx h LYS 91 N 0.00 0.00 -0.01 0.11 1.57 -1.97 -1.82 116.57 114.45 2nnx h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nnx h LYS 91 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nnx h LYS 91 CO 0.00 0.10 -0.13 -0.25 -0.57 0.00 0.00 179.45 178.61 2nnx n ASP 92 N -3.60 0.88 0.00 0.86 8.00 -1.26 -4.90 116.55 116.54 2nnx n ASP 92 Ca -0.02 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2nnx n ASP 92 Cb 0.23 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2nnx n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nnx n GLY 93 N 1.25 0.71 3.64 0.44 0.00 -0.69 -4.73 105.19 105.82 2nnx n GLY 93 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2nnx n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnx s VAL 94 N -2.12 5.23 -0.44 1.61 1.01 -1.26 -2.22 120.40 122.21 2nnx s VAL 94 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 2nnx s VAL 94 Cb 0.00 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.80 2nnx s VAL 94 CO 0.00 0.24 0.32 0.00 0.00 0.00 0.00 175.10 175.66 2nnx s ALA 95 N 1.53 3.42 -0.27 5.51 0.00 0.47 -1.13 121.76 131.28 2nnx s ALA 95 Ca 0.14 -2.12 -0.27 0.00 0.00 0.00 0.00 51.96 49.72 2nnx s ALA 95 Cb -0.15 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2nnx s ALA 95 CO 0.08 -1.68 0.95 -0.51 0.00 0.00 0.00 175.76 174.60 2nnx s ASP 96 N 2.33 6.91 -0.17 0.00 1.01 -1.26 -1.48 116.67 124.01 2nnx s ASP 96 Ca 0.03 1.08 -0.13 0.00 0.71 0.00 0.00 52.55 54.24 2nnx s ASP 96 Cb -0.23 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 2nnx s ASP 96 CO 0.04 -0.68 0.26 -0.69 0.21 0.00 0.00 175.17 174.31 2nnx s VAL 97 N 3.19 5.33 -0.38 -1.27 1.01 -0.50 -4.83 120.40 122.96 2nnx s VAL 97 Ca 0.40 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2nnx s VAL 97 Cb -0.14 -3.60 0.16 0.00 0.00 0.00 0.00 36.38 32.80 2nnx s VAL 97 CO 0.10 0.40 0.44 -0.55 0.00 0.00 0.00 175.10 175.49 2nnx s SER 98 N 0.47 0.49 0.07 3.32 0.15 -1.25 -2.05 113.70 114.91 2nnx s SER 98 Ca 0.15 -1.39 0.07 0.00 0.70 0.00 0.00 55.95 55.48 2nnx s SER 98 Cb -0.13 0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 2nnx s SER 98 CO 0.03 -0.24 -0.15 -0.63 1.20 0.00 0.00 173.24 173.46 2nnx s ILE 99 N 1.52 3.06 -0.05 6.45 1.01 0.97 -5.00 121.20 129.16 2nnx s ILE 99 Ca 0.17 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.63 2nnx s ILE 99 Cb -0.13 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 2nnx s ILE 99 CO -0.04 0.22 -0.25 -0.70 0.00 0.00 0.00 174.94 174.17 2nnx s GLU 100 N -1.84 2.46 -0.01 2.79 2.12 -1.26 -0.87 118.70 122.09 2nnx s GLU 100 Ca 0.18 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.61 2nnx s GLU 100 Cb -0.11 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2nnx s GLU 100 CO 0.09 0.40 -0.01 0.34 -0.54 0.00 0.00 175.26 175.54 2nnx s ASP 101 N -0.21 0.17 0.00 -1.70 2.15 -0.38 -4.98 116.67 111.72 2nnx s ASP 101 Ca -0.02 -0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.12 2nnx s ASP 101 Cb -0.13 -0.04 0.20 0.00 -0.30 0.00 0.00 42.92 42.65 2nnx s ASP 101 CO 0.03 -0.01 1.12 -1.20 -0.17 0.00 0.00 175.17 174.94 2nnx n SER 102 N 3.25 2.64 -0.12 -0.34 7.64 -1.26 0.14 113.62 125.56 2nnx n SER 102 Ca -0.15 -1.78 -0.23 0.00 1.01 0.00 0.00 58.87 57.72 2nnx n SER 102 Cb 0.58 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 2nnx n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2nnx n VAL 103 N 1.02 1.38 -0.85 0.44 0.31 -1.26 -4.87 118.33 114.50 2nnx n VAL 103 Ca 0.12 -0.43 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 2nnx n VAL 103 Cb 0.46 -1.63 0.16 0.00 -0.91 0.00 0.00 33.84 31.92 2nnx n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2nnx s ILE 104 N -2.47 2.38 0.11 2.52 -4.36 -1.26 -4.88 121.20 113.25 2nnx s ILE 104 Ca -0.34 0.12 -0.21 0.00 -0.26 0.00 0.00 60.65 59.97 2nnx s ILE 104 Cb 0.11 -2.30 0.05 0.00 1.25 0.00 0.00 42.46 41.57 2nnx s ILE 104 CO 0.49 -0.16 0.51 -0.55 0.24 0.00 0.00 174.94 175.46 2nnx s SER 105 N -2.88 -0.41 -0.10 4.36 0.15 -0.87 -4.64 113.70 109.29 2nnx s SER 105 Ca 0.65 -0.03 0.16 0.00 0.70 0.00 0.00 55.95 57.43 2nnx s SER 105 Cb -0.21 0.52 0.57 0.00 -1.71 0.00 0.00 66.02 65.18 2nnx s SER 105 CO 0.58 -0.84 1.48 0.18 1.20 0.00 0.00 173.24 175.85 2nnx n LEU 106 N -0.03 4.08 -3.83 3.45 4.77 -1.26 -1.37 117.00 122.81 2nnx n LEU 106 Ca -0.17 -2.50 -0.06 0.00 -0.03 0.00 0.00 56.01 53.25 2nnx n LEU 106 Cb 0.63 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2nnx n LEU 106 CO 0.16 0.75 0.54 -0.94 -1.33 0.00 0.00 177.39 176.58 2nnx s SER 107 N -1.21 -0.23 0.27 -1.43 1.04 -1.26 -4.89 113.70 106.00 2nnx s SER 107 Ca 0.42 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2nnx s SER 107 Cb 0.28 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2nnx s SER 107 CO 0.18 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.78 2nnx n GLY 108 N -0.47 -1.36 0.00 7.32 0.00 -1.26 -3.33 105.19 106.10 2nnx n GLY 108 Ca -0.05 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.85 2nnx n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nnx n ASP 109 N -0.41 0.00 -1.68 1.61 5.68 -1.26 -2.04 116.55 118.46 2nnx n ASP 109 Ca 0.00 0.14 0.09 0.00 -0.50 0.00 0.00 54.79 54.52 2nnx n ASP 109 Cb 0.00 -0.37 0.37 0.00 -1.14 0.00 0.00 41.12 39.98 2nnx n ASP 109 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2nnx n HIS 110 N -1.37 1.63 -1.77 2.11 8.25 -1.26 -4.94 115.22 117.86 2nnx n HIS 110 Ca 0.10 -0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 56.51 2nnx n HIS 110 Cb 0.25 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 2nnx n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nnx n ILE 112 N 4.56 0.00 -1.91 0.00 -5.35 -0.47 -4.92 119.36 111.27 2nnx n ILE 112 Ca 0.17 -0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 2nnx n ILE 112 Cb 0.38 1.34 -0.02 0.00 -1.74 0.00 0.00 39.64 39.60 2nnx n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2nnx s ILE 113 N -1.99 2.42 0.00 7.28 1.01 -1.26 -1.31 121.20 127.34 2nnx s ILE 113 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2nnx s ILE 113 Cb 0.17 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2nnx s ILE 113 CO 0.38 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2nnx n GLY 114 N 2.44 0.83 3.90 6.18 0.00 0.64 -4.99 105.19 114.20 2nnx n GLY 114 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2nnx n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnx n ARG 115 N -2.27 0.64 -3.94 1.61 1.74 -0.43 -2.14 116.66 111.86 2nnx n ARG 115 Ca 0.00 -3.32 -0.35 0.00 -0.77 0.00 0.00 57.85 53.41 2nnx n ARG 115 Cb 0.00 0.07 -0.13 0.00 -1.02 0.00 0.00 32.46 31.38 2nnx n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2nnx s THR 116 N -2.70 3.73 0.01 0.55 2.01 -1.02 -0.39 115.64 117.83 2nnx s THR 116 Ca 0.46 -0.38 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 2nnx s THR 116 Cb -0.04 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2nnx s THR 116 CO 0.29 0.41 0.64 -0.22 -0.69 0.00 0.00 174.62 175.05 2nnx s LEU 117 N 1.35 4.42 0.01 4.42 2.96 -0.73 0.57 118.68 131.68 2nnx s LEU 117 Ca 0.04 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.20 2nnx s LEU 117 Cb -0.15 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 2nnx s LEU 117 CO -0.00 0.07 -0.03 0.54 -1.32 0.00 0.00 176.35 175.62 2nnx s VAL 118 N -0.14 0.18 -0.04 1.68 0.11 -0.22 -2.09 120.40 119.89 2nnx s VAL 118 Ca 0.33 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2nnx s VAL 118 Cb -0.19 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2nnx s VAL 118 CO 0.19 -0.17 -0.22 0.54 -3.33 0.00 0.00 175.10 172.11 2nnx s VAL 119 N -0.63 2.40 0.28 2.04 0.11 -0.52 -2.33 120.40 121.75 2nnx s VAL 119 Ca -0.06 -0.96 0.08 0.00 -2.93 0.00 0.00 61.98 58.11 2nnx s VAL 119 Cb -0.05 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 2nnx s VAL 119 CO -0.00 0.58 0.14 -1.00 -3.33 0.00 0.00 175.10 171.49 2nnx s HIS 120 N -0.47 2.90 0.21 1.54 3.76 0.81 -0.41 115.29 123.64 2nnx s HIS 120 Ca 0.06 -0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.67 2nnx s HIS 120 Cb -0.12 -1.43 0.30 0.00 1.11 0.00 0.00 32.58 32.45 2nnx s HIS 120 CO 0.01 0.48 1.75 1.49 -0.85 0.00 0.00 174.74 177.62 2nnx h GLU 121 N 1.58 0.44 -5.07 1.40 4.81 -0.68 -3.36 114.58 113.69 2nnx h GLU 121 Ca -0.46 -0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.13 2nnx h GLU 121 Cb 1.25 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 2nnx h GLU 121 CO 0.61 0.29 -0.50 0.15 -0.73 0.00 0.00 179.01 178.82 2nnx s LYS 122 N -6.08 2.06 0.38 1.92 1.02 0.39 -4.89 119.74 114.53 2nnx s LYS 122 Ca -0.13 -2.29 -0.27 0.00 0.02 0.00 0.00 55.97 53.30 2nnx s LYS 122 Cb 0.17 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.48 2nnx s LYS 122 CO 0.75 -0.47 1.33 0.00 -0.92 0.00 0.00 175.35 176.04 2nnx s ALA 123 N -3.08 3.36 -0.04 5.17 0.00 -1.10 -0.80 121.76 125.28 2nnx s ALA 123 Ca 0.16 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 2nnx s ALA 123 Cb 0.01 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2nnx s ALA 123 CO 0.10 -0.81 1.35 0.34 0.00 0.00 0.00 175.76 176.75 2nnx s ASP 124 N -0.59 6.90 0.00 0.00 -1.08 -1.26 -3.87 116.67 116.77 2nnx s ASP 124 Ca 0.54 1.99 0.14 0.00 -0.52 0.00 0.00 52.55 54.70 2nnx s ASP 124 Cb -0.40 -2.55 0.60 0.00 -1.46 0.00 0.00 42.92 39.11 2nnx s ASP 124 CO 0.52 -0.71 1.42 -0.90 0.52 0.00 0.00 175.17 176.02 2nnx n ASP 125 N 5.67 1.02 -1.91 -0.34 5.68 0.13 -4.90 116.55 121.90 2nnx n ASP 125 Ca 0.13 -1.76 -0.19 0.00 -0.50 0.00 0.00 54.79 52.47 2nnx n ASP 125 Cb 0.44 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.30 2nnx n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2nnx n LEU 126 N -0.04 -1.69 -0.25 -2.12 4.77 -1.26 -1.91 117.00 114.50 2nnx n LEU 126 Ca 0.12 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 2nnx n LEU 126 Cb 0.20 -2.67 -0.01 0.00 -2.33 0.00 0.00 43.42 38.61 2nnx n LEU 126 CO 0.09 -0.45 -0.03 0.61 -1.33 0.00 0.00 177.39 176.28 2nnx n GLY 127 N -0.91 0.63 0.33 -0.72 0.00 -1.24 -2.97 105.19 100.32 2nnx n GLY 127 Ca -0.21 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2nnx n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnx n LYS 128 N -2.71 1.49 0.00 1.61 5.02 -0.80 -4.63 118.16 118.13 2nnx n LYS 128 Ca -0.03 -2.86 0.13 0.00 -2.02 0.00 0.00 58.31 53.53 2nnx n LYS 128 Cb 0.13 -1.57 0.44 0.00 -0.02 0.00 0.00 35.03 34.01 2nnx n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nnx n GLY 129 N -1.27 -1.10 2.15 0.72 0.00 -1.26 -4.97 105.19 99.46 2nnx n GLY 129 Ca 0.18 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 2nnx n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnx n GLY 130 N 1.41 0.18 3.34 -0.02 0.00 -1.26 -5.00 105.19 103.84 2nnx n GLY 130 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 2nnx n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnx s ASN 131 N -2.70 0.60 0.22 1.61 2.20 -1.26 -5.07 114.94 110.53 2nnx s ASN 131 Ca 0.00 -1.41 -0.05 0.00 -0.94 0.00 0.00 52.86 50.46 2nnx s ASN 131 Cb 0.00 0.51 0.19 0.00 -2.00 0.00 0.00 41.25 39.95 2nnx s ASN 131 CO 0.00 -1.03 1.65 -0.08 -2.94 0.00 0.00 177.10 174.70 2nnx h GLU 132 N 2.35 0.82 -0.01 3.55 4.81 -2.00 -2.94 114.58 121.16 2nnx h GLU 132 Ca -0.30 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 2nnx h GLU 132 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2nnx h GLU 132 CO 0.43 0.93 -0.23 0.93 -0.73 0.00 0.00 179.01 180.34 2nnx h GLU 133 N 0.73 0.02 -0.72 1.92 4.39 -1.98 -2.35 114.58 116.58 2nnx h GLU 133 Ca 0.11 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.82 2nnx h GLU 133 Cb 0.67 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2nnx h GLU 133 CO 0.05 0.25 0.47 1.03 -1.16 0.00 0.00 179.01 179.65 2nnx h SER 134 N 0.02 0.80 0.90 1.42 0.87 -1.86 0.23 113.55 115.93 2nnx h SER 134 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2nnx h SER 134 Cb 0.42 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2nnx h SER 134 CO 0.03 0.57 0.00 0.35 -0.53 0.00 0.00 176.83 177.25 2nnx n THR 135 N -4.61 0.20 -0.12 2.23 -2.24 -0.91 -2.44 114.28 106.39 2nnx n THR 135 Ca 0.07 0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.66 2nnx n THR 135 Cb 0.04 -0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 67.59 2nnx n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nnx n LYS 136 N -1.50 0.50 0.00 -0.78 5.02 -0.90 -0.95 118.16 119.55 2nnx n LYS 136 Ca 0.06 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2nnx n LYS 136 Cb 0.31 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2nnx n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2nnx n THR 137 N -3.94 0.00 -0.66 -0.18 -2.24 0.78 -4.61 114.28 103.42 2nnx n THR 137 Ca -0.45 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2nnx n THR 137 Cb 0.84 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2nnx n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnx n GLY 138 N 0.77 0.71 3.54 3.38 0.00 -1.02 -4.38 105.19 108.20 2nnx n GLY 138 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2nnx n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nnx n ASN 139 N 0.00 -5.67 -0.57 1.61 3.02 -1.25 -0.70 115.26 111.70 2nnx n ASN 139 Ca 0.00 -0.54 0.05 0.00 -0.03 0.00 0.00 54.58 54.06 2nnx n ASN 139 Cb 0.00 -4.52 0.13 0.00 -0.61 0.00 0.00 39.78 34.79 2nnx n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nnx n ALA 140 N -4.47 2.46 -0.52 5.41 0.00 -1.25 -4.78 120.51 117.37 2nnx n ALA 140 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2nnx n ALA 140 Cb 0.56 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2nnx n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnx n GLY 141 N 0.97 -0.18 3.81 0.00 0.00 -1.26 -0.47 105.19 108.07 2nnx n GLY 141 Ca 0.10 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 2nnx n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nnx s SER 142 N -4.00 5.31 -0.13 1.61 1.04 -1.26 -4.61 113.70 111.66 2nnx s SER 142 Ca 0.00 1.64 -0.27 0.00 0.48 0.00 0.00 55.95 57.80 2nnx s SER 142 Cb 0.00 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 2nnx s SER 142 CO 0.00 -1.49 0.91 -0.13 0.98 0.00 0.00 173.24 173.51 2nnx s ARG 143 N -5.00 4.36 -0.15 4.02 0.52 -1.26 -0.39 118.95 121.05 2nnx s ARG 143 Ca 0.58 1.20 -0.06 0.00 -0.52 0.00 0.00 55.73 56.93 2nnx s ARG 143 Cb -0.14 -3.55 -0.24 0.00 0.52 0.00 0.00 34.95 31.54 2nnx s ARG 143 CO 0.55 -0.30 0.24 1.28 0.02 0.00 0.00 175.30 177.08 2nnx n LEU 144 N 5.06 2.64 -3.63 2.53 4.77 0.45 -4.91 117.00 123.92 2nnx n LEU 144 Ca 0.06 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2nnx n LEU 144 Cb 0.49 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 2nnx n LEU 144 CO 0.50 0.83 0.21 0.00 -1.33 0.00 0.00 177.39 177.60 2nnx s ALA 145 N -2.54 -1.15 0.23 -1.18 0.00 -1.16 -4.07 121.76 111.89 2nnx s ALA 145 Ca -0.25 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.98 2nnx s ALA 145 Cb 0.07 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.55 2nnx s ALA 145 CO 0.72 -0.46 0.64 0.00 0.00 0.00 0.00 175.76 176.66 2nnx s GLY 147 N -2.88 -0.24 0.05 0.00 0.00 -0.89 -1.86 107.32 101.51 2nnx s GLY 147 Ca 0.09 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.66 2nnx s GLY 147 CO 0.01 0.01 0.75 0.14 0.00 0.00 0.00 173.10 174.02 2nnx s VAL 148 N -3.52 4.73 -0.26 1.40 1.01 -1.26 -1.78 120.40 120.72 2nnx s VAL 148 Ca 0.10 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 2nnx s VAL 148 Cb -0.03 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2nnx s VAL 148 CO 0.02 0.38 1.12 -0.63 0.00 0.00 0.00 175.10 175.99 2nnx s ILE 149 N -0.13 4.49 0.33 2.22 1.01 0.47 -4.58 121.20 125.02 2nnx s ILE 149 Ca 0.38 1.76 0.08 0.00 0.00 0.00 0.00 60.65 62.87 2nnx s ILE 149 Cb -0.20 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2nnx s ILE 149 CO 0.23 -0.31 0.15 -0.83 0.00 0.00 0.00 174.94 174.18 2nnx s GLY 150 N 1.68 1.87 0.12 6.18 0.00 -0.00 -0.26 107.32 116.91 2nnx s GLY 150 Ca 0.48 -1.77 -0.31 0.00 0.00 0.00 0.00 44.72 43.13 2nnx s GLY 150 CO 0.13 -1.71 1.29 -0.42 0.00 0.00 0.00 173.10 172.38 2nnx s ILE 151 N -2.38 3.56 0.18 0.90 1.01 -1.26 -0.97 121.20 122.24 2nnx s ILE 151 Ca 0.37 1.17 0.08 0.00 0.00 0.00 0.00 60.65 62.27 2nnx s ILE 151 Cb -0.04 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2nnx s ILE 151 CO 0.23 0.12 -0.03 0.00 0.00 0.00 0.00 174.94 175.26 2nnx s ALA 152 N 0.74 3.12 -2.00 9.38 0.00 -0.79 -4.77 121.76 127.45 2nnx s ALA 152 Ca 0.60 -1.43 0.17 0.00 0.00 0.00 0.00 51.96 51.30 2nnx s ALA 152 Cb -0.34 -0.89 1.00 0.00 0.00 0.00 0.00 23.12 22.89 2nnx s ALA 152 CO 0.32 0.46 1.41 0.94 0.00 0.00 0.00 175.76 178.88