#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnx n THR 2 N 0.00 0.00 -3.71 0.00 -2.24 -1.26 -4.41 114.28 102.66 2nnx n THR 2 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2nnx n THR 2 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2nnx n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2nnx s LYS 3 N -0.80 0.47 0.13 -0.78 2.20 -1.26 -0.77 119.74 118.94 2nnx s LYS 3 Ca 0.00 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 2nnx s LYS 3 Cb 0.00 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2nnx s LYS 3 CO 0.00 -0.10 0.02 0.00 -0.36 0.00 0.00 175.35 174.91 2nnx s ALA 4 N 0.73 1.00 -0.06 3.13 0.00 -0.30 0.25 121.76 126.51 2nnx s ALA 4 Ca -0.04 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 2nnx s ALA 4 Cb -0.05 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.73 2nnx s ALA 4 CO -0.05 -0.39 0.36 0.54 0.00 0.00 0.00 175.76 176.21 2nnx s VAL 5 N -3.86 0.04 -0.02 0.00 0.11 -0.45 -0.64 120.40 115.57 2nnx s VAL 5 Ca 0.21 -0.30 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2nnx s VAL 5 Cb 0.07 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2nnx s VAL 5 CO 0.01 -0.16 0.03 0.00 -3.33 0.00 0.00 175.10 171.64 2nnx s VAL 7 N 1.01 5.27 -0.21 0.00 1.01 -1.26 -0.51 120.40 125.71 2nnx s VAL 7 Ca -0.08 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2nnx s VAL 7 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2nnx s VAL 7 CO -0.03 0.20 0.40 -0.76 0.00 0.00 0.00 175.10 174.91 2nnx s LEU 8 N 1.85 4.14 0.06 3.92 1.43 0.49 -3.69 118.68 126.87 2nnx s LEU 8 Ca 0.09 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2nnx s LEU 8 Cb -0.16 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2nnx s LEU 8 CO 0.11 -0.09 -0.09 -0.54 0.23 0.00 0.00 176.35 175.96 2nnx s LYS 9 N 1.43 0.67 0.00 1.70 1.02 -0.59 -2.11 119.74 121.86 2nnx s LYS 9 Ca 0.18 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.24 2nnx s LYS 9 Cb -0.15 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 2nnx s LYS 9 CO 0.08 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2nnx n GLY 10 N 1.07 5.40 0.08 -3.33 0.00 -1.22 -1.76 105.19 105.43 2nnx n GLY 10 Ca -0.20 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 0.54 -0.62 1.61 8.00 -1.26 -4.93 116.55 119.89 2nnx n ASP 11 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2nnx n ASP 11 Cb 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 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 1.24 1.60 0.17 0.44 0.00 -1.26 -5.02 105.19 102.36 2nnx n GLY 12 Ca -0.03 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 0.74 -2.26 1.61 -0.04 -1.26 -4.91 135.00 128.89 2nnx n PRO 13 Ca 0.00 -0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 62.69 2nnx n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.50 3.82 -0.02 0.52 1.01 -1.26 -4.35 120.40 117.63 2nnx s VAL 14 Ca 0.26 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 2nnx s VAL 14 Cb 0.20 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.87 2nnx s VAL 14 CO 0.50 -0.01 0.49 0.00 0.00 0.00 0.00 175.10 176.08 2nnx s GLN 15 N 2.51 0.89 -0.04 2.72 -2.07 -0.91 -3.37 119.66 119.38 2nnx s GLN 15 Ca 0.62 -0.02 -0.31 0.00 -1.82 0.00 0.00 55.36 53.83 2nnx s GLN 15 Cb -0.30 0.41 0.13 0.00 -1.09 0.00 0.00 33.01 32.15 2nnx s GLN 15 CO 0.25 -0.27 1.34 0.20 -1.32 0.00 0.00 175.29 175.49 2nnx s GLY 16 N -1.38 -0.40 -0.11 2.60 0.00 -0.90 -0.53 107.32 106.60 2nnx s GLY 16 Ca -0.11 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.30 2nnx s GLY 16 CO 0.06 1.03 -0.14 -0.42 0.00 0.00 0.00 173.10 173.63 2nnx s ILE 17 N -2.24 1.44 -0.14 0.90 1.01 -1.07 -0.38 121.20 120.72 2nnx s ILE 17 Ca 0.17 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2nnx s ILE 17 Cb 0.05 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 2nnx s ILE 17 CO -0.04 0.43 -0.18 -0.63 0.00 0.00 0.00 174.94 174.52 2nnx s ILE 18 N 1.12 2.50 0.07 2.92 -1.09 0.33 -2.72 121.20 124.33 2nnx s ILE 18 Ca -0.04 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 2nnx s ILE 18 Cb -0.14 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 2nnx s ILE 18 CO -0.03 0.53 0.14 0.20 -1.23 0.00 0.00 174.94 174.55 2nnx s ASN 19 N 0.69 5.93 -0.00 3.58 -0.87 0.76 -0.18 114.94 124.84 2nnx s ASN 19 Ca -0.08 0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.35 2nnx s ASN 19 Cb -0.16 -1.71 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 2nnx s ASN 19 CO 0.02 0.17 -0.07 -0.36 -2.57 0.00 0.00 177.10 174.28 2nnx s PHE 20 N -1.46 0.66 -0.01 2.20 0.08 0.18 -1.64 117.98 118.00 2nnx s PHE 20 Ca 0.32 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.24 2nnx s PHE 20 Cb -0.13 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 41.91 2nnx s PHE 20 CO 0.25 -0.01 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.33 2nnx s GLU 21 N -0.25 0.32 -0.31 0.44 2.12 0.04 -1.15 118.70 119.91 2nnx s GLU 21 Ca 0.02 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.29 2nnx s GLU 21 Cb -0.03 -0.35 0.15 0.00 0.26 0.00 0.00 34.13 34.16 2nnx s GLU 21 CO -0.00 0.02 0.37 -1.14 -0.54 0.00 0.00 175.26 173.97 2nnx s GLN 22 N 0.22 0.43 0.21 4.30 0.74 0.05 -0.68 119.66 124.94 2nnx s GLN 22 Ca -0.02 -0.12 0.14 0.00 0.05 0.00 0.00 55.36 55.40 2nnx s GLN 22 Cb -0.05 -0.47 -0.02 0.00 1.10 0.00 0.00 33.01 33.57 2nnx s GLN 22 CO -0.00 -1.06 1.31 0.87 -0.55 0.00 0.00 175.29 175.85 2nnx h LYS 23 N 8.00 0.00 -5.47 1.67 1.57 -1.83 -3.35 116.57 117.16 2nnx h LYS 23 Ca -0.08 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.07 2nnx h LYS 23 Cb 1.10 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.25 2nnx h LYS 23 CO 0.27 0.57 -0.58 -1.21 -0.57 0.00 0.00 179.45 177.93 2nnx s GLU 24 N -2.90 3.67 0.42 3.15 2.02 -1.26 -5.03 118.70 118.76 2nnx s GLU 24 Ca 0.02 -0.35 0.09 0.00 0.02 0.00 0.00 54.97 54.75 2nnx s GLU 24 Cb 0.08 -3.08 0.88 0.00 0.10 0.00 0.00 34.13 32.11 2nnx s GLU 24 CO 0.77 0.42 2.02 0.66 0.02 0.00 0.00 175.26 179.14 2nnx h SER 25 N 6.17 0.32 0.39 -0.19 4.64 -1.96 -1.34 113.55 121.58 2nnx h SER 25 Ca -0.41 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2nnx h SER 25 Cb 1.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2nnx h SER 25 CO 0.65 0.32 -1.12 -0.46 -0.87 0.00 0.00 176.83 175.35 2nnx n ASN 26 N -4.41 0.59 -3.34 4.97 0.23 -1.26 -4.82 115.26 107.22 2nnx n ASN 26 Ca 0.01 -0.21 -0.24 0.00 -0.53 0.00 0.00 54.58 53.60 2nnx n ASN 26 Cb 0.14 0.91 0.21 0.00 -2.08 0.00 0.00 39.78 38.96 2nnx n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2nnx n GLY 27 N 1.36 -2.82 3.74 4.83 0.00 -0.50 -4.99 105.19 106.81 2nnx n GLY 27 Ca 0.01 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2nnx n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nnx s PRO 28 N -4.99 2.62 -0.24 1.61 0.02 -1.26 -4.82 135.00 127.93 2nnx s PRO 28 Ca 0.58 1.75 -0.07 0.00 0.02 0.00 0.00 61.00 63.28 2nnx s PRO 28 Cb -0.06 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 2nnx s PRO 28 CO 0.44 -1.46 0.05 0.08 -0.33 0.00 0.00 177.00 175.78 2nnx s VAL 29 N -1.83 4.13 0.04 3.83 1.01 0.15 -4.53 120.40 123.19 2nnx s VAL 29 Ca 0.75 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2nnx s VAL 29 Cb -0.29 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2nnx s VAL 29 CO 0.39 0.36 0.95 -0.54 0.00 0.00 0.00 175.10 176.26 2nnx s LYS 30 N 1.58 4.60 -0.14 2.72 1.02 0.15 -1.65 119.74 128.01 2nnx s LYS 30 Ca 0.06 1.39 0.01 0.00 0.02 0.00 0.00 55.97 57.46 2nnx s LYS 30 Cb -0.15 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2nnx s LYS 30 CO 0.02 0.05 -0.18 0.08 -0.92 0.00 0.00 175.35 174.41 2nnx s VAL 31 N 0.63 1.78 0.08 3.17 1.01 0.32 -0.78 120.40 126.61 2nnx s VAL 31 Ca 0.49 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 2nnx s VAL 31 Cb -0.22 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 2nnx s VAL 31 CO 0.28 0.49 0.17 -1.66 0.00 0.00 0.00 175.10 174.38 2nnx s TRP 32 N 1.17 0.17 -5.00 5.22 -2.14 -0.65 -0.70 118.94 117.01 2nnx s TRP 32 Ca -0.01 -0.59 0.00 0.00 2.66 0.00 0.00 56.10 58.17 2nnx s TRP 32 Cb -0.14 -0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.15 2nnx s TRP 32 CO -0.07 -0.51 0.00 0.41 -2.66 0.00 0.00 176.95 174.12 2nnx n GLY 33 N 0.05 -0.05 3.18 3.67 0.00 -1.03 -0.17 105.19 110.83 2nnx n GLY 33 Ca -0.15 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.32 -0.11 1.61 0.15 -1.10 -0.84 113.70 109.09 2nnx s SER 34 Ca 0.00 0.61 0.03 0.00 0.70 0.00 0.00 55.95 57.29 2nnx s SER 34 Cb 0.00 0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2nnx s SER 34 CO 0.00 -0.11 -0.23 -0.63 1.20 0.00 0.00 173.24 173.47 2nnx s ILE 35 N 0.33 2.17 0.41 6.45 1.01 -0.27 -2.59 121.20 128.70 2nnx s ILE 35 Ca -0.01 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.73 2nnx s ILE 35 Cb -0.03 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 2nnx s ILE 35 CO -0.01 0.55 0.09 -1.59 0.00 0.00 0.00 174.94 173.99 2nnx s LYS 36 N 0.40 2.10 -0.01 2.79 -2.85 0.31 0.21 119.74 122.69 2nnx s LYS 36 Ca -0.17 -1.95 0.00 0.00 -1.00 0.00 0.00 55.97 52.85 2nnx s LYS 36 Cb -0.17 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 2nnx s LYS 36 CO 0.07 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2nnx n GLY 37 N -1.10 0.41 3.92 0.59 0.00 -0.97 -2.14 105.19 105.89 2nnx n GLY 37 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.03 4.28 0.49 0.99 1.43 -0.79 -4.21 118.68 120.83 2nnx s LEU 38 Ca 0.00 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 2nnx s LEU 38 Cb 0.00 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 43.01 2nnx s LEU 38 CO 0.00 0.05 1.20 0.42 0.23 0.00 0.00 176.35 178.25 2nnx s THR 39 N -1.70 2.90 0.15 5.49 -4.23 -1.26 -4.01 115.64 112.98 2nnx s THR 39 Ca 0.38 0.66 -0.33 0.00 -1.18 0.00 0.00 61.69 61.23 2nnx s THR 39 Cb -0.12 -3.33 -0.12 0.00 1.34 0.00 0.00 72.50 70.27 2nnx s THR 39 CO 0.27 -0.02 1.72 1.21 -0.54 0.00 0.00 174.62 177.25 2nnx n GLU 40 N -0.71 2.54 0.00 3.99 2.13 -1.26 -4.62 120.64 122.71 2nnx n GLU 40 Ca 0.08 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.82 2nnx n GLU 40 Cb 0.48 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.43 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 3.89 0.63 3.76 8.31 0.00 -0.09 -4.94 105.19 116.75 2nnx n GLY 41 Ca 0.17 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 4.58 -0.07 0.99 1.43 -1.26 -0.72 118.68 123.63 2nnx s LEU 42 Ca 0.00 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2nnx s LEU 42 Cb 0.00 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.84 2nnx s LEU 42 CO 0.00 0.13 -0.06 -1.00 0.23 0.00 0.00 176.35 175.66 2nnx s HIS 43 N -0.84 1.00 0.43 0.29 3.76 0.43 -2.73 115.29 117.64 2nnx s HIS 43 Ca 0.39 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.69 2nnx s HIS 43 Cb -0.23 -0.87 -0.10 0.00 1.11 0.00 0.00 32.58 32.48 2nnx s HIS 43 CO 0.28 -0.29 1.09 0.41 -0.85 0.00 0.00 174.74 175.38 2nnx n GLY 44 N 4.39 0.03 2.78 -2.22 0.00 -0.06 -0.93 105.19 109.18 2nnx n GLY 44 Ca -0.19 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.26 -0.27 0.18 1.61 5.36 -0.34 -0.39 117.98 122.87 2nnx s PHE 45 Ca 0.63 0.30 -0.12 0.00 -0.96 0.00 0.00 56.93 56.78 2nnx s PHE 45 Cb -0.54 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 41.81 2nnx s PHE 45 CO 0.57 -0.55 0.38 -0.98 -1.46 0.00 0.00 175.22 173.18 2nnx s ARG 46 N 2.33 1.25 -0.23 10.12 3.03 -0.83 -2.36 118.95 132.25 2nnx s ARG 46 Ca 0.06 -1.05 -0.09 0.00 2.03 0.00 0.00 55.73 56.68 2nnx s ARG 46 Cb -0.15 0.44 -0.04 0.00 -1.03 0.00 0.00 34.95 34.16 2nnx s ARG 46 CO -0.11 -0.49 0.12 0.08 -1.13 0.00 0.00 175.30 173.77 2nnx s VAL 47 N -3.93 5.02 0.40 4.99 1.01 -0.20 -1.30 120.40 126.39 2nnx s VAL 47 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2nnx s VAL 47 Cb 0.02 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2nnx s VAL 47 CO -0.01 0.36 0.65 -1.10 0.00 0.00 0.00 175.10 175.00 2nnx s GLN 48 N 1.07 3.51 0.16 2.72 -0.21 0.10 -0.86 119.66 126.15 2nnx s GLN 48 Ca 0.06 -0.11 -0.10 0.00 0.02 0.00 0.00 55.36 55.23 2nnx s GLN 48 Cb -0.14 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.33 2nnx s GLN 48 CO 0.04 0.01 1.52 1.49 -2.12 0.00 0.00 175.29 176.23 2nnx h GLU 49 N 0.56 0.95 -5.99 2.91 4.81 -0.94 -2.98 114.58 113.90 2nnx h GLU 49 Ca -0.49 -0.45 -0.68 0.00 -0.13 0.00 0.00 59.36 57.62 2nnx h GLU 49 Cb 1.21 -0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.40 2nnx h GLU 49 CO 0.62 1.11 -0.68 -0.06 -0.73 0.00 0.00 179.01 179.27 2nnx s PHE 50 N -4.53 2.99 -1.00 0.92 0.08 -0.56 -4.70 117.98 111.18 2nnx s PHE 50 Ca -0.11 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 2nnx s PHE 50 Cb 0.12 -1.76 0.05 0.00 -0.57 0.00 0.00 43.02 40.85 2nnx s PHE 50 CO 0.87 0.30 2.67 0.41 -0.10 0.00 0.00 175.22 179.38 2nnx n GLY 51 N 2.39 4.67 3.15 4.36 0.00 -0.82 -3.39 105.19 115.56 2nnx n GLY 51 Ca -0.18 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 0.71 4.93 -0.24 1.61 -1.08 -1.26 -4.94 116.67 116.39 2nnx s ASP 52 Ca 0.58 -1.46 0.10 0.00 -0.52 0.00 0.00 52.55 51.26 2nnx s ASP 52 Cb 0.25 -1.72 0.46 0.00 -1.46 0.00 0.00 42.92 40.45 2nnx s ASP 52 CO -0.12 -0.31 1.33 0.59 0.52 0.00 0.00 175.17 177.17 2nnx n ASN 53 N 4.59 2.06 0.26 -0.34 3.02 -1.26 -3.02 115.26 120.58 2nnx n ASN 53 Ca -0.10 -3.83 0.13 0.00 -0.03 0.00 0.00 54.58 50.75 2nnx n ASN 53 Cb 0.43 -0.57 0.71 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.99 0.50 -0.95 3.41 1.35 -1.92 -2.65 112.91 113.63 2nnx h THR 54 Ca 0.10 -0.60 -0.51 0.00 -0.55 0.00 0.00 66.41 64.84 2nnx h THR 54 Cb 1.29 1.41 -0.42 0.00 -1.73 0.00 0.00 68.15 68.69 2nnx h THR 54 CO 0.17 0.12 -0.85 0.00 -0.25 0.00 0.00 175.52 174.71 2nnx n ALA 55 N -2.25 4.66 -0.50 6.62 0.00 -1.26 -5.08 120.51 122.70 2nnx n ALA 55 Ca -0.01 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.64 2nnx n ALA 55 Cb 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.59 0.58 0.14 0.00 0.00 -1.00 -3.64 105.19 100.68 2nnx n GLY 56 Ca 0.36 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 1.24 0.00 0.00 1.35 -1.90 -3.25 112.91 110.35 2nnx h THR 58 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2nnx h THR 58 Cb 0.62 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2nnx h THR 58 CO 0.00 0.29 0.00 -1.54 -0.25 0.00 0.00 175.52 174.02 2nnx n SER 59 N -4.54 0.00 -0.19 5.36 3.41 -1.24 -3.63 113.62 112.80 2nnx n SER 59 Ca -0.01 -0.80 0.14 0.00 -0.26 0.00 0.00 58.87 57.94 2nnx n SER 59 Cb 0.23 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.76 2nnx n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnx n ALA 60 N -0.67 2.79 -0.07 7.33 0.00 -1.17 -4.51 120.51 124.21 2nnx n ALA 60 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2nnx n ALA 60 Cb 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2nnx n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnx n GLY 61 N 1.25 -0.94 3.93 0.00 0.00 -1.24 -1.49 105.19 106.69 2nnx n GLY 61 Ca 0.16 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 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 1.50 0.33 1.61 0.04 -1.26 -4.70 135.00 132.52 2nnx s PRO 62 Ca 0.00 -0.33 -0.29 0.00 0.04 0.00 0.00 61.00 60.42 2nnx s PRO 62 Cb 0.00 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 2nnx s PRO 62 CO 0.00 -1.79 1.45 0.72 0.04 0.00 0.00 177.00 177.42 2nnx n HIS 63 N -3.32 2.64 -1.68 0.56 8.25 -1.26 -0.88 115.22 119.52 2nnx n HIS 63 Ca 0.12 0.43 -0.43 0.00 -0.26 0.00 0.00 57.72 57.57 2nnx n HIS 63 Cb 0.60 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 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 1.06 2.57 -2.89 4.41 7.35 -0.04 -4.59 117.46 125.32 2nnx n PHE 64 Ca 0.06 -0.22 -0.12 0.00 -0.76 0.00 0.00 57.45 56.41 2nnx n PHE 64 Cb 0.36 -2.75 0.04 0.00 0.35 0.00 0.00 39.48 37.48 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 6.32 -0.61 0.18 -2.13 5.15 -1.26 -1.02 115.26 121.90 2nnx n ASN 65 Ca 0.19 -3.16 0.14 0.00 -0.60 0.00 0.00 54.58 51.14 2nnx n ASN 65 Cb 0.38 0.54 0.59 0.00 -0.53 0.00 0.00 39.78 40.76 2nnx n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2nnx h PRO 66 N 2.88 0.00 -0.17 1.20 0.13 -1.92 -2.49 132.00 131.63 2nnx h PRO 66 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2nnx h PRO 66 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nnx h PRO 66 CO 0.29 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.34 2nnx n LEU 67 N -2.52 2.54 -3.61 1.56 4.77 -1.26 -4.98 117.00 113.50 2nnx n LEU 67 Ca 0.01 -0.98 -0.20 0.00 -0.03 0.00 0.00 56.01 54.81 2nnx n LEU 67 Cb 0.22 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2nnx n LEU 67 CO 0.21 0.49 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.55 2nnx n SER 68 N 0.93 -1.47 -4.97 -1.43 7.64 -0.94 -5.01 113.62 108.37 2nnx n SER 68 Ca 0.17 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 59.12 2nnx n SER 68 Cb 0.49 -4.43 -0.00 0.00 -1.01 0.00 0.00 64.21 59.26 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 -5.76 2.73 0.65 1.43 1.81 -1.26 -5.12 118.95 113.42 2nnx s ARG 69 Ca 0.00 -1.34 -0.10 0.00 -1.72 0.00 0.00 55.73 52.57 2nnx s ARG 69 Cb -0.00 -2.64 -0.00 0.00 -0.45 0.00 0.00 34.95 31.86 2nnx s ARG 69 CO 0.78 -0.26 1.02 0.15 -0.68 0.00 0.00 175.30 176.32 2nnx s LYS 70 N -4.29 3.08 0.21 3.54 -0.14 -1.26 -4.70 119.74 116.18 2nnx s LYS 70 Ca 0.53 0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 55.25 2nnx s LYS 70 Cb -0.08 -2.11 -0.11 0.00 -1.68 0.00 0.00 37.83 33.86 2nnx s LYS 70 CO 0.31 -0.81 1.56 -1.58 -0.76 0.00 0.00 175.35 174.08 2nnx s HIS 71 N -3.21 2.98 0.17 3.18 5.65 -0.27 -2.98 115.29 120.82 2nnx s HIS 71 Ca 0.56 0.71 0.02 0.00 0.25 0.00 0.00 55.06 56.60 2nnx s HIS 71 Cb -0.11 -3.95 -0.01 0.00 -1.18 0.00 0.00 32.58 27.33 2nnx s HIS 71 CO 0.50 -3.38 0.18 0.41 -0.65 0.00 0.00 174.74 171.80 2nnx n GLY 72 N 3.14 3.15 3.87 1.59 0.00 -1.24 -4.29 105.19 111.41 2nnx n GLY 72 Ca 0.11 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 2nnx n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nnx s GLY 73 N -2.14 1.61 0.49 -0.02 0.00 -1.19 -4.71 107.32 101.36 2nnx s GLY 73 Ca 0.18 -0.46 0.20 0.00 0.00 0.00 0.00 44.72 44.63 2nnx s GLY 73 CO 0.13 -0.02 2.05 -0.56 0.00 0.00 0.00 173.10 174.69 2nnx h PRO 74 N -0.93 0.00 0.00 2.90 0.13 -1.88 -2.38 132.00 129.83 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2nnx h PRO 74 CO 0.64 0.14 -0.14 1.63 -0.23 0.00 0.00 178.00 180.04 2nnx n LYS 75 N -4.10 0.11 -2.63 0.86 5.02 -1.26 -4.88 118.16 111.28 2nnx n LYS 75 Ca -0.02 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 2nnx n LYS 75 Cb 0.22 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 2nnx n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nnx s ASP 76 N -3.60 6.60 0.09 4.39 1.01 -0.90 -4.98 116.67 119.28 2nnx s ASP 76 Ca 0.12 1.79 -0.07 0.00 0.71 0.00 0.00 52.55 55.10 2nnx s ASP 76 Cb 0.16 -2.55 -0.20 0.00 1.01 0.00 0.00 42.92 41.35 2nnx s ASP 76 CO 0.59 -0.60 1.21 -0.33 0.21 0.00 0.00 175.17 176.25 2nnx h GLU 77 N 1.61 0.43 -5.54 8.23 5.08 -1.90 -3.39 114.58 119.10 2nnx h GLU 77 Ca -0.49 -0.55 -0.63 0.00 -1.00 0.00 0.00 59.36 56.69 2nnx h GLU 77 Cb 1.20 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.49 2nnx h GLU 77 CO 0.60 1.21 0.73 -2.00 -1.00 0.00 0.00 179.01 178.55 2nnx s GLU 78 N -3.02 3.24 0.11 2.33 2.56 -1.26 -4.97 118.70 117.69 2nnx s GLU 78 Ca -0.06 -0.94 -0.20 0.00 0.00 0.00 0.00 54.97 53.76 2nnx s GLU 78 Cb 0.07 -4.43 0.05 0.00 2.00 0.00 0.00 34.13 31.83 2nnx s GLU 78 CO 0.89 -1.88 0.50 -0.98 -0.56 0.00 0.00 175.26 173.23 2nnx s ARG 79 N 4.11 1.12 0.40 4.30 1.04 -1.19 -3.64 118.95 125.08 2nnx s ARG 79 Ca 0.27 -0.47 -0.25 0.00 -1.04 0.00 0.00 55.73 54.24 2nnx s ARG 79 Cb -0.12 0.51 -0.08 0.00 -2.04 0.00 0.00 34.95 33.21 2nnx s ARG 79 CO 0.06 -0.45 1.16 -1.01 -0.04 0.00 0.00 175.30 175.02 2nnx s HIS 80 N -3.33 3.08 0.36 5.89 3.76 -1.16 -4.68 115.29 119.21 2nnx s HIS 80 Ca -0.00 1.56 0.15 0.00 -0.15 0.00 0.00 55.06 56.62 2nnx s HIS 80 Cb 0.00 -3.38 1.04 0.00 1.11 0.00 0.00 32.58 31.35 2nnx s HIS 80 CO -0.09 -1.28 1.73 0.28 -0.85 0.00 0.00 174.74 174.53 2nnx h VAL 81 N 2.31 0.47 0.00 -0.90 2.07 -1.87 -1.48 116.25 116.85 2nnx h VAL 81 Ca -0.49 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2nnx h VAL 81 Cb 1.23 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2nnx h VAL 81 CO 0.62 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.90 2nnx n GLY 82 N -1.38 -1.13 3.56 2.17 0.00 -0.19 -4.30 105.19 103.92 2nnx n GLY 82 Ca 0.28 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.69 5.80 -0.21 1.61 1.01 -0.56 -1.03 116.67 120.61 2nnx s ASP 83 Ca 0.19 0.14 0.15 0.00 0.71 0.00 0.00 52.55 53.75 2nnx s ASP 83 Cb 0.16 -2.54 0.54 0.00 1.01 0.00 0.00 42.92 42.08 2nnx s ASP 83 CO 0.38 -2.00 1.45 0.18 0.21 0.00 0.00 175.17 175.40 2nnx n LEU 84 N 10.75 4.06 0.00 1.23 4.77 -1.00 -3.92 117.00 132.90 2nnx n LEU 84 Ca 0.13 -3.15 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 2nnx n LEU 84 Cb 0.50 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2nnx n LEU 84 CO 0.71 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 2nnx n GLY 85 N -0.59 2.08 3.20 -0.72 0.00 -1.20 -4.75 105.19 103.21 2nnx n GLY 85 Ca 0.24 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 2.16 0.11 1.61 0.01 -1.26 -1.19 114.94 112.37 2nnx s ASN 86 Ca 0.00 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 2nnx s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 2nnx s ASN 86 CO 0.00 0.16 0.26 0.68 -1.51 0.00 0.00 177.10 176.69 2nnx s VAL 87 N -0.66 5.34 -0.22 1.60 -7.23 -0.10 -4.90 120.40 114.23 2nnx s VAL 87 Ca 0.06 -0.47 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2nnx s VAL 87 Cb -0.08 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 2nnx s VAL 87 CO 0.01 0.03 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.90 2nnx s THR 88 N -1.63 3.48 -0.11 5.32 2.01 -1.26 -0.42 115.64 123.02 2nnx s THR 88 Ca 0.35 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 2nnx s THR 88 Cb -0.12 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 2nnx s THR 88 CO 0.28 0.42 0.42 0.00 -0.69 0.00 0.00 174.62 175.06 2nnx s ALA 89 N 1.38 3.54 1.04 7.40 0.00 0.10 -4.22 121.76 131.01 2nnx s ALA 89 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 2nnx s ALA 89 Cb -0.14 -2.55 0.10 0.00 0.00 0.00 0.00 23.12 20.53 2nnx s ALA 89 CO -0.02 0.10 0.48 -0.40 0.00 0.00 0.00 175.76 175.92 2nnx n ASP 90 N 3.35 -0.59 -0.12 0.00 5.68 -0.21 -0.91 116.55 123.76 2nnx n ASP 90 Ca -0.09 -1.01 0.15 0.00 -0.50 0.00 0.00 54.79 53.34 2nnx n ASP 90 Cb 0.52 -0.40 0.52 0.00 -1.14 0.00 0.00 41.12 40.62 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 0.37 -0.14 0.11 1.79 -1.97 0.15 116.57 116.89 2nnx h LYS 91 Ca -0.17 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2nnx h LYS 91 Cb 0.48 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2nnx h LYS 91 CO 0.11 0.24 0.00 -0.25 -1.08 0.00 0.00 179.45 178.48 2nnx n ASP 92 N -4.47 1.24 -0.53 0.86 8.00 -1.26 -4.84 116.55 115.55 2nnx n ASP 92 Ca 0.12 -1.67 -0.07 0.00 0.71 0.00 0.00 54.79 53.88 2nnx n ASP 92 Cb 0.48 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 1.02 0.90 3.64 0.44 0.00 0.04 -4.70 105.19 106.53 2nnx n GLY 93 Ca 0.15 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.26 5.14 -0.44 1.61 1.01 -1.26 -1.89 120.40 122.32 2nnx s VAL 94 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2nnx s VAL 94 Cb 0.00 -3.38 0.11 0.00 0.00 0.00 0.00 36.38 33.11 2nnx s VAL 94 CO 0.00 0.37 0.28 0.00 0.00 0.00 0.00 175.10 175.76 2nnx s ALA 95 N 0.93 3.29 0.04 5.51 0.00 0.13 -1.04 121.76 130.62 2nnx s ALA 95 Ca 0.06 -2.49 -0.31 0.00 0.00 0.00 0.00 51.96 49.23 2nnx s ALA 95 Cb -0.13 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 2nnx s ALA 95 CO 0.03 -1.83 1.34 0.34 0.00 0.00 0.00 175.76 175.63 2nnx s ASP 96 N 2.30 6.91 -0.16 0.00 2.15 -1.26 -1.11 116.67 125.50 2nnx s ASP 96 Ca 0.06 2.13 -0.03 0.00 0.43 0.00 0.00 52.55 55.14 2nnx s ASP 96 Cb -0.25 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 39.78 2nnx s ASP 96 CO -0.02 -0.63 -0.05 -0.69 -0.17 0.00 0.00 175.17 173.62 2nnx s VAL 97 N 1.70 3.79 -0.17 1.11 1.01 -0.02 -4.74 120.40 123.09 2nnx s VAL 97 Ca 0.62 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2nnx s VAL 97 Cb -0.32 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.48 2nnx s VAL 97 CO 0.28 0.49 0.21 -0.55 0.00 0.00 0.00 175.10 175.54 2nnx s SER 98 N 0.40 1.08 -0.03 3.32 0.15 -1.25 -2.48 113.70 114.89 2nnx s SER 98 Ca -0.05 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.58 2nnx s SER 98 Cb -0.14 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 2nnx s SER 98 CO 0.03 -0.30 0.13 -0.63 1.20 0.00 0.00 173.24 173.67 2nnx s ILE 99 N 2.33 0.03 -0.12 6.45 1.01 0.13 -5.00 121.20 126.03 2nnx s ILE 99 Ca 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2nnx s ILE 99 Cb -0.14 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.08 2nnx s ILE 99 CO -0.10 -0.13 -0.17 -0.70 0.00 0.00 0.00 174.94 173.84 2nnx s GLU 100 N -0.40 2.43 -0.02 2.79 2.12 -1.26 -0.52 118.70 123.83 2nnx s GLU 100 Ca -0.05 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2nnx s GLU 100 Cb -0.03 -2.03 0.01 0.00 0.26 0.00 0.00 34.13 32.34 2nnx s GLU 100 CO 0.00 -0.05 -0.04 0.34 -0.54 0.00 0.00 175.26 174.98 2nnx s ASP 101 N 0.93 0.65 -0.00 -1.70 2.15 -0.66 -4.94 116.67 113.09 2nnx s ASP 101 Ca -0.07 -0.09 0.12 0.00 0.43 0.00 0.00 52.55 52.94 2nnx s ASP 101 Cb -0.15 -0.22 0.34 0.00 -0.30 0.00 0.00 42.92 42.59 2nnx s ASP 101 CO -0.01 -0.01 1.29 -1.20 -0.17 0.00 0.00 175.17 175.06 2nnx n SER 102 N 3.58 3.05 -0.13 -0.34 7.64 -1.26 0.32 113.62 126.48 2nnx n SER 102 Ca -0.20 -2.02 -0.21 0.00 1.01 0.00 0.00 58.87 57.44 2nnx n SER 102 Cb 0.54 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.60 1.51 -1.14 0.44 0.31 -1.26 -4.93 118.33 113.85 2nnx n VAL 103 Ca 0.13 -0.52 -0.31 0.00 -0.01 0.00 0.00 64.34 63.63 2nnx n VAL 103 Cb 0.46 -1.57 0.11 0.00 -0.91 0.00 0.00 33.84 31.93 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 -2.52 3.03 0.06 2.52 -4.36 -1.26 -4.89 121.20 113.79 2nnx s ILE 104 Ca -0.35 0.33 -0.09 0.00 -0.26 0.00 0.00 60.65 60.28 2nnx s ILE 104 Cb 0.10 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 41.09 2nnx s ILE 104 CO 0.58 -0.44 0.19 -0.55 0.24 0.00 0.00 174.94 174.96 2nnx s SER 105 N -3.25 0.09 0.00 4.36 0.15 -0.49 -4.73 113.70 109.82 2nnx s SER 105 Ca 0.62 -0.52 0.23 0.00 0.70 0.00 0.00 55.95 56.98 2nnx s SER 105 Cb -0.18 0.31 0.52 0.00 -1.71 0.00 0.00 66.02 64.96 2nnx s SER 105 CO 0.57 -0.64 1.46 0.18 1.20 0.00 0.00 173.24 176.00 2nnx n LEU 106 N 0.30 3.48 -3.87 3.45 4.77 -1.26 -0.73 117.00 123.14 2nnx n LEU 106 Ca -0.17 -1.60 -0.09 0.00 -0.03 0.00 0.00 56.01 54.12 2nnx n LEU 106 Cb 0.61 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2nnx n LEU 106 CO 0.22 0.80 0.15 -0.94 -1.33 0.00 0.00 177.39 176.29 2nnx s SER 107 N -1.31 -0.12 0.12 -1.43 1.04 -1.26 -4.28 113.70 106.46 2nnx s SER 107 Ca 0.42 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2nnx s SER 107 Cb 0.23 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2nnx s SER 107 CO 0.32 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2nnx n GLY 108 N -0.30 -0.99 0.25 7.32 0.00 -1.26 -3.38 105.19 106.83 2nnx n GLY 108 Ca -0.07 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.82 2nnx n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nnx h ASP 109 N 1.79 0.00 -0.43 1.61 3.32 -2.01 -2.46 116.42 118.24 2nnx h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nnx h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2nnx h ASP 109 CO 0.00 0.08 0.00 1.41 -1.72 0.00 0.00 179.24 179.01 2nnx n HIS 110 N -4.28 1.42 -1.72 4.55 8.25 -1.26 -4.94 115.22 117.24 2nnx n HIS 110 Ca -0.03 -0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 56.24 2nnx n HIS 110 Cb 0.16 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 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 4.14 0.00 -1.71 0.00 -5.35 0.09 -4.90 119.36 111.62 2nnx n ILE 112 Ca 0.16 -0.34 -0.42 0.00 -0.27 0.00 0.00 62.75 61.88 2nnx n ILE 112 Cb 0.36 1.30 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 2nnx n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2nnx n ILE 113 N 0.29 0.02 -0.83 7.28 2.08 -1.26 -1.82 119.36 125.11 2nnx n ILE 113 Ca 0.10 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 2nnx n ILE 113 Cb 0.46 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 2nnx n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2nnx n GLY 114 N 3.94 0.68 3.86 7.39 0.00 0.58 -5.00 105.19 116.65 2nnx n GLY 114 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2nnx n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnx s ARG 115 N -0.17 2.28 -0.24 1.61 0.52 -0.75 -1.94 118.95 120.27 2nnx s ARG 115 Ca 0.00 -1.95 -0.09 0.00 -0.52 0.00 0.00 55.73 53.18 2nnx s ARG 115 Cb 0.00 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2nnx s ARG 115 CO 0.00 -0.45 0.11 0.99 0.02 0.00 0.00 175.30 175.96 2nnx s THR 116 N -2.71 4.78 -0.02 0.02 2.01 -1.12 -0.43 115.64 118.17 2nnx s THR 116 Ca 0.35 -0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 2nnx s THR 116 Cb -0.01 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2nnx s THR 116 CO 0.21 0.35 0.70 -0.22 -0.69 0.00 0.00 174.62 174.96 2nnx s LEU 117 N 1.30 4.38 0.05 4.42 2.96 -0.59 0.03 118.68 131.23 2nnx s LEU 117 Ca 0.06 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.28 2nnx s LEU 117 Cb -0.15 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 2nnx s LEU 117 CO 0.05 -0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.24 2nnx s VAL 118 N 0.30 0.99 -0.01 1.68 1.01 -0.42 -1.69 120.40 122.26 2nnx s VAL 118 Ca 0.36 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2nnx s VAL 118 Cb -0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2nnx s VAL 118 CO 0.19 -0.17 -0.24 0.54 0.00 0.00 0.00 175.10 175.42 2nnx s VAL 119 N -1.13 2.26 0.32 2.92 0.11 -0.44 -1.96 120.40 122.49 2nnx s VAL 119 Ca -0.02 -1.09 0.08 0.00 -2.93 0.00 0.00 61.98 58.01 2nnx s VAL 119 Cb -0.09 -1.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 2nnx s VAL 119 CO 0.02 0.54 0.22 -1.00 -3.33 0.00 0.00 175.10 171.55 2nnx s HIS 120 N -0.67 2.89 0.20 1.54 3.76 0.47 -0.89 115.29 122.59 2nnx s HIS 120 Ca 0.11 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.64 2nnx s HIS 120 Cb -0.10 -1.64 0.20 0.00 1.11 0.00 0.00 32.58 32.15 2nnx s HIS 120 CO -0.00 0.31 1.82 1.49 -0.85 0.00 0.00 174.74 177.51 2nnx h GLU 121 N 1.40 0.69 0.00 1.40 4.81 -0.20 -3.37 114.58 119.31 2nnx h GLU 121 Ca -0.45 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.52 2nnx h GLU 121 Cb 1.25 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 2nnx h GLU 121 CO 0.60 0.45 -0.20 0.36 -0.73 0.00 0.00 179.01 179.50 2nnx n LYS 122 N -4.76 0.49 -2.11 1.92 2.85 -0.41 -4.90 118.16 111.24 2nnx n LYS 122 Ca 0.07 -1.44 -0.41 0.00 -1.05 0.00 0.00 58.31 55.48 2nnx n LYS 122 Cb 0.14 0.97 -0.02 0.00 -0.65 0.00 0.00 35.03 35.46 2nnx n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2nnx s ALA 123 N -2.52 3.53 0.03 0.58 0.00 -1.10 -0.88 121.76 121.41 2nnx s ALA 123 Ca 0.13 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 2nnx s ALA 123 Cb 0.01 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 2nnx s ALA 123 CO 0.09 -0.65 1.46 0.34 0.00 0.00 0.00 175.76 177.00 2nnx s ASP 124 N -0.15 6.79 0.00 0.00 -1.08 -1.26 -3.83 116.67 117.14 2nnx s ASP 124 Ca 0.53 2.23 0.12 0.00 -0.52 0.00 0.00 52.55 54.91 2nnx s ASP 124 Cb -0.40 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 38.98 2nnx s ASP 124 CO 0.48 -0.75 1.35 -0.90 0.52 0.00 0.00 175.17 175.87 2nnx n ASP 125 N 5.23 1.17 -2.25 -0.34 5.68 0.10 -4.89 116.55 121.25 2nnx n ASP 125 Ca 0.14 -1.84 -0.19 0.00 -0.50 0.00 0.00 54.79 52.39 2nnx n ASP 125 Cb 0.43 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.08 -1.73 -0.21 -2.12 4.77 -1.26 -1.80 117.00 114.71 2nnx n LEU 126 Ca 0.11 0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 2nnx n LEU 126 Cb 0.21 -2.79 -0.01 0.00 -2.33 0.00 0.00 43.42 38.51 2nnx n LEU 126 CO 0.08 -0.36 -0.03 0.61 -1.33 0.00 0.00 177.39 176.37 2nnx n GLY 127 N -0.86 0.56 0.38 -0.72 0.00 -1.23 -3.17 105.19 100.14 2nnx n GLY 127 Ca -0.22 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.78 1.31 0.20 1.61 5.02 -0.75 -4.68 118.16 118.10 2nnx n LYS 128 Ca -0.03 -2.81 0.10 0.00 -2.02 0.00 0.00 58.31 53.55 2nnx n LYS 128 Cb 0.13 -1.45 0.16 0.00 -0.02 0.00 0.00 35.03 33.85 2nnx n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2nnx h GLY 129 N 0.48 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 98.89 2nnx h GLY 129 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2nnx h GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2nnx n GLY 130 N 1.06 3.16 3.77 4.60 0.00 -1.26 -5.04 105.19 111.47 2nnx n GLY 130 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2nnx n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nnx n ASN 131 N 0.11 1.12 0.05 1.61 0.23 -1.26 -5.03 115.26 112.08 2nnx n ASN 131 Ca 0.00 -2.01 -0.12 0.00 -0.53 0.00 0.00 54.58 51.92 2nnx n ASN 131 Cb 0.00 -0.68 -0.01 0.00 -2.08 0.00 0.00 39.78 37.01 2nnx n ASN 131 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2nnx h GLU 132 N 0.00 0.46 -0.40 -3.83 4.81 -2.02 -3.25 114.58 110.35 2nnx h GLU 132 Ca -0.34 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.42 2nnx h GLU 132 Cb 1.18 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 2nnx h GLU 132 CO 0.34 1.05 -0.00 1.49 -0.73 0.00 0.00 179.01 181.16 2nnx h GLU 133 N 0.30 0.65 -0.90 1.92 4.57 -2.00 -3.08 114.58 116.04 2nnx h GLU 133 Ca -0.05 -0.16 0.21 0.00 -1.18 0.00 0.00 59.36 58.18 2nnx h GLU 133 Cb 1.40 -0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.79 2nnx h GLU 133 CO 0.14 0.67 0.43 1.03 -1.18 0.00 0.00 179.01 180.10 2nnx h SER 134 N 0.61 0.42 -0.11 1.04 0.87 -1.91 0.26 113.55 114.74 2nnx h SER 134 Ca 0.13 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2nnx h SER 134 Cb 0.39 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2nnx h SER 134 CO 0.01 0.06 0.00 0.35 -0.53 0.00 0.00 176.83 176.73 2nnx n THR 135 N -4.99 0.13 -0.11 2.23 -2.24 -1.16 -2.08 114.28 106.06 2nnx n THR 135 Ca 0.22 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 2nnx n THR 135 Cb 0.62 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.13 0.46 0.00 -0.78 5.02 0.60 -1.11 118.16 122.47 2nnx n LYS 136 Ca 0.17 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2nnx n LYS 136 Cb 0.30 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -3.89 0.00 -0.87 -0.18 -2.24 0.56 -4.63 114.28 103.02 2nnx n THR 137 Ca -0.42 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2nnx n THR 137 Cb 0.81 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.61 0.54 3.80 3.38 0.00 -0.88 -4.31 105.19 108.33 2nnx n GLY 138 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 0.37 -4.92 -0.52 1.61 3.02 -1.26 -0.73 115.26 112.83 2nnx n ASN 139 Ca 0.00 -0.71 0.04 0.00 -0.03 0.00 0.00 54.58 53.88 2nnx n ASN 139 Cb 0.00 -4.26 0.12 0.00 -0.61 0.00 0.00 39.78 35.03 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 -4.74 2.48 -0.58 5.41 0.00 -1.25 -4.76 120.51 117.08 2nnx n ALA 140 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2nnx n ALA 140 Cb 0.55 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.89 0.21 3.75 0.00 0.00 -1.26 -1.29 105.19 107.49 2nnx n GLY 141 Ca 0.09 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 3.98 -0.21 1.61 1.04 -1.26 -4.63 113.70 110.23 2nnx s SER 142 Ca 0.00 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.78 2nnx s SER 142 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 2nnx s SER 142 CO 0.00 -2.33 0.59 -0.13 0.98 0.00 0.00 173.24 172.35 2nnx s ARG 143 N -4.97 4.18 -0.19 4.02 0.52 -1.26 0.07 118.95 121.33 2nnx s ARG 143 Ca 0.62 0.53 0.09 0.00 -0.52 0.00 0.00 55.73 56.45 2nnx s ARG 143 Cb -0.17 -3.59 -0.22 0.00 0.52 0.00 0.00 34.95 31.49 2nnx s ARG 143 CO 0.56 -0.24 0.09 1.28 0.02 0.00 0.00 175.30 177.01 2nnx n LEU 144 N 5.08 1.48 -3.60 2.53 4.77 -0.07 -4.92 117.00 122.28 2nnx n LEU 144 Ca -0.02 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 2nnx n LEU 144 Cb 0.50 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2nnx n LEU 144 CO 0.43 0.68 0.33 0.00 -1.33 0.00 0.00 177.39 177.50 2nnx s ALA 145 N -2.52 -1.53 0.19 -1.18 0.00 -1.19 -3.97 121.76 111.56 2nnx s ALA 145 Ca -0.19 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 2nnx s ALA 145 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2nnx s ALA 145 CO 0.74 -0.33 0.37 0.00 0.00 0.00 0.00 175.76 176.54 2nnx s GLY 147 N -2.97 -0.47 0.10 0.00 0.00 -0.68 -1.55 107.32 101.76 2nnx s GLY 147 Ca 0.18 0.56 -0.30 0.00 0.00 0.00 0.00 44.72 45.17 2nnx s GLY 147 CO 0.02 0.18 0.95 0.14 0.00 0.00 0.00 173.10 174.39 2nnx s VAL 148 N -3.48 4.52 -0.11 1.40 1.01 -1.26 -1.54 120.40 120.94 2nnx s VAL 148 Ca 0.05 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 2nnx s VAL 148 Cb -0.02 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2nnx s VAL 148 CO -0.08 0.32 1.00 -0.63 0.00 0.00 0.00 175.10 175.72 2nnx s ILE 149 N 0.01 4.78 0.26 2.22 1.01 0.43 -4.49 121.20 125.42 2nnx s ILE 149 Ca 0.46 2.04 0.11 0.00 0.00 0.00 0.00 60.65 63.26 2nnx s ILE 149 Cb -0.23 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 2nnx s ILE 149 CO 0.29 -0.00 -0.19 -0.83 0.00 0.00 0.00 174.94 174.21 2nnx s GLY 150 N 1.10 1.78 0.10 6.18 0.00 0.01 -0.31 107.32 116.19 2nnx s GLY 150 Ca 0.48 -1.82 -0.31 0.00 0.00 0.00 0.00 44.72 43.07 2nnx s GLY 150 CO 0.17 -1.91 1.34 -0.42 0.00 0.00 0.00 173.10 172.28 2nnx s ILE 151 N -2.57 3.49 -0.03 0.90 1.01 -1.26 -1.34 121.20 121.40 2nnx s ILE 151 Ca 0.28 1.08 0.09 0.00 0.00 0.00 0.00 60.65 62.09 2nnx s ILE 151 Cb -0.04 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 2nnx s ILE 151 CO 0.13 0.09 0.16 0.00 0.00 0.00 0.00 174.94 175.32 2nnx n ALA 152 N 3.89 2.22 -1.95 9.38 0.00 0.14 -4.80 120.51 129.38 2nnx n ALA 152 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2nnx n ALA 152 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2nnx n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44