#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 -3.77 0.00 -2.24 -1.26 -4.55 114.28 102.46 2nnx n THR 2 Ca 0.00 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 2nnx n THR 2 Cb 0.00 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.21 0.31 0.13 -0.78 2.20 -1.26 -0.67 119.74 118.45 2nnx s LYS 3 Ca 0.02 0.41 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 2nnx s LYS 3 Cb 0.03 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2nnx s LYS 3 CO 0.13 -0.06 -0.04 0.00 -0.36 0.00 0.00 175.35 175.02 2nnx s ALA 4 N 0.33 1.12 -0.04 3.13 0.00 0.52 -0.52 121.76 126.31 2nnx s ALA 4 Ca -0.02 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 2nnx s ALA 4 Cb -0.03 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2nnx s ALA 4 CO -0.01 -0.28 0.18 0.54 0.00 0.00 0.00 175.76 176.19 2nnx s VAL 5 N -3.65 0.04 -0.04 0.00 0.11 -0.42 -0.13 120.40 116.31 2nnx s VAL 5 Ca 0.17 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2nnx s VAL 5 Cb 0.06 -0.36 0.03 0.00 -1.53 0.00 0.00 36.38 34.57 2nnx s VAL 5 CO -0.01 -0.18 0.01 0.00 -3.33 0.00 0.00 175.10 171.59 2nnx s VAL 7 N 1.50 4.86 -0.24 0.00 1.01 -1.26 -1.29 120.40 124.98 2nnx s VAL 7 Ca -0.03 0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 2nnx s VAL 7 Cb -0.13 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2nnx s VAL 7 CO -0.03 -0.44 0.66 -0.76 0.00 0.00 0.00 175.10 174.54 2nnx s LEU 8 N 2.77 4.09 0.11 3.92 1.43 -0.09 -3.86 118.68 127.05 2nnx s LEU 8 Ca 0.24 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 2nnx s LEU 8 Cb -0.14 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2nnx s LEU 8 CO 0.17 -0.37 -0.10 -0.54 0.23 0.00 0.00 176.35 175.74 2nnx s LYS 9 N 2.39 0.89 0.00 1.70 1.02 -0.38 -2.18 119.74 123.19 2nnx s LYS 9 Ca 0.28 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 55.06 2nnx s LYS 9 Cb -0.16 -0.56 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 2nnx s LYS 9 CO 0.09 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2nnx n GLY 10 N 0.41 3.88 0.14 -3.33 0.00 -1.25 -0.50 105.19 104.54 2nnx n GLY 10 Ca -0.15 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 44.90 2nnx n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nnx h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.91 -3.48 116.42 115.97 2nnx h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nnx h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2nnx h ASP 11 CO 0.00 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 2nnx n GLY 12 N 1.24 3.02 0.12 2.75 0.00 -1.26 -5.03 105.19 106.03 2nnx n GLY 12 Ca -0.01 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 0.25 -2.31 1.61 -0.04 -1.26 -4.87 135.00 128.38 2nnx n PRO 13 Ca 0.00 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 2nnx n PRO 13 Cb 0.00 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 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 -3.17 4.02 0.07 0.52 1.01 -1.26 -4.39 120.40 117.20 2nnx s VAL 14 Ca 0.09 1.30 -0.18 0.00 0.00 0.00 0.00 61.98 63.18 2nnx s VAL 14 Cb 0.11 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.70 2nnx s VAL 14 CO 0.54 -0.07 0.43 0.00 0.00 0.00 0.00 175.10 176.00 2nnx s GLN 15 N 3.15 0.98 -0.02 2.72 -2.07 -0.78 -3.76 119.66 119.88 2nnx s GLN 15 Ca 0.60 -0.43 -0.29 0.00 -1.82 0.00 0.00 55.36 53.42 2nnx s GLN 15 Cb -0.26 0.44 0.11 0.00 -1.09 0.00 0.00 33.01 32.20 2nnx s GLN 15 CO 0.21 -0.35 1.29 0.20 -1.32 0.00 0.00 175.29 175.32 2nnx s GLY 16 N -2.21 -0.27 -0.11 2.60 0.00 -0.92 -0.27 107.32 106.14 2nnx s GLY 16 Ca -0.03 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 2nnx s GLY 16 CO -0.05 2.84 -0.04 -0.42 0.00 0.00 0.00 173.10 175.43 2nnx s ILE 17 N -2.19 0.79 -0.12 0.90 1.01 -0.81 -0.91 121.20 119.86 2nnx s ILE 17 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2nnx s ILE 17 Cb 0.02 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2nnx s ILE 17 CO -0.02 0.29 -0.09 -0.63 0.00 0.00 0.00 174.94 174.48 2nnx s ILE 18 N 1.80 3.44 0.08 2.92 -1.09 -0.41 -2.85 121.20 125.08 2nnx s ILE 18 Ca 0.04 -0.54 0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2nnx s ILE 18 Cb -0.13 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2nnx s ILE 18 CO -0.07 0.53 -0.09 0.20 -1.23 0.00 0.00 174.94 174.28 2nnx s ASN 19 N 0.04 4.43 0.00 3.58 -0.87 0.87 0.06 114.94 123.06 2nnx s ASN 19 Ca -0.03 -0.34 0.04 0.00 -1.57 0.00 0.00 52.86 50.97 2nnx s ASN 19 Cb -0.14 -0.88 -0.01 0.00 -0.02 0.00 0.00 41.25 40.19 2nnx s ASN 19 CO 0.04 0.20 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.27 2nnx s PHE 20 N -1.16 1.20 -0.02 2.20 0.08 0.82 -1.08 117.98 120.01 2nnx s PHE 20 Ca 0.20 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 57.02 2nnx s PHE 20 Cb -0.11 -0.75 -0.00 0.00 -0.57 0.00 0.00 43.02 41.59 2nnx s PHE 20 CO 0.12 -0.00 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.13 2nnx s GLU 21 N -0.56 1.10 -0.35 0.44 2.12 -0.16 -0.35 118.70 120.94 2nnx s GLU 21 Ca 0.04 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.01 2nnx s GLU 21 Cb -0.06 -1.01 0.15 0.00 0.26 0.00 0.00 34.13 33.46 2nnx s GLU 21 CO 0.00 0.17 0.33 -1.14 -0.54 0.00 0.00 175.26 174.07 2nnx s GLN 22 N 0.06 0.54 0.31 4.30 0.74 0.15 -0.91 119.66 124.86 2nnx s GLN 22 Ca -0.01 -0.74 0.15 0.00 0.05 0.00 0.00 55.36 54.80 2nnx s GLN 22 Cb -0.08 -0.80 0.41 0.00 1.10 0.00 0.00 33.01 33.64 2nnx s GLN 22 CO 0.01 -1.15 1.61 0.87 -0.55 0.00 0.00 175.29 176.07 2nnx h LYS 23 N 7.38 0.00 -5.26 1.67 1.57 -1.84 -3.39 116.57 116.71 2nnx h LYS 23 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 2nnx h LYS 23 Cb 1.05 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.19 2nnx h LYS 23 CO 0.25 0.52 -0.57 -1.21 -0.57 0.00 0.00 179.45 177.87 2nnx s GLU 24 N -3.40 3.96 0.20 3.15 0.41 -1.26 -5.02 118.70 116.74 2nnx s GLU 24 Ca 0.01 -0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.25 2nnx s GLU 24 Cb 0.11 -3.22 0.56 0.00 -1.78 0.00 0.00 34.13 29.80 2nnx s GLU 24 CO 0.73 0.24 0.98 0.45 -0.49 0.00 0.00 175.26 177.17 2nnx n SER 25 N 3.62 -0.01 -3.32 -0.19 2.88 -1.26 -0.98 113.62 114.37 2nnx n SER 25 Ca -0.16 1.06 -0.23 0.00 -1.33 0.00 0.00 58.87 58.20 2nnx n SER 25 Cb 0.52 -0.41 -0.09 0.00 -0.75 0.00 0.00 64.21 63.48 2nnx n SER 25 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2nnx s ASN 26 N -4.94 1.23 0.02 -3.46 3.84 -1.26 -4.75 114.94 105.63 2nnx s ASN 26 Ca -0.08 -2.62 0.00 0.00 0.21 0.00 0.00 52.86 50.38 2nnx s ASN 26 Cb 0.19 -0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.87 2nnx s ASN 26 CO 0.49 -0.18 0.01 0.61 -2.79 0.00 0.00 177.10 175.23 2nnx n GLY 27 N 3.17 3.48 3.70 1.21 0.00 -0.15 -5.12 105.19 111.47 2nnx n GLY 27 Ca 0.24 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.07 1.74 -0.24 1.61 0.02 -1.26 -4.89 135.00 129.90 2nnx s PRO 28 Ca 0.01 1.77 -0.07 0.00 0.02 0.00 0.00 61.00 62.73 2nnx s PRO 28 Cb -0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.71 2nnx s PRO 28 CO 0.00 -2.14 0.05 0.08 -0.33 0.00 0.00 177.00 174.66 2nnx s VAL 29 N -2.10 4.18 0.03 3.83 1.01 0.12 -4.60 120.40 122.88 2nnx s VAL 29 Ca 0.74 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2nnx s VAL 29 Cb -0.29 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2nnx s VAL 29 CO 0.49 0.36 1.03 -0.54 0.00 0.00 0.00 175.10 176.44 2nnx s LYS 30 N 1.53 4.55 -0.14 2.72 1.02 -0.08 -0.71 119.74 128.63 2nnx s LYS 30 Ca 0.06 1.51 0.02 0.00 0.02 0.00 0.00 55.97 57.57 2nnx s LYS 30 Cb -0.15 -3.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2nnx s LYS 30 CO 0.03 -0.06 -0.19 0.08 -0.92 0.00 0.00 175.35 174.29 2nnx s VAL 31 N 0.86 1.85 0.16 3.17 1.01 0.15 -0.98 120.40 126.60 2nnx s VAL 31 Ca 0.53 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 2nnx s VAL 31 Cb -0.23 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2nnx s VAL 31 CO 0.29 0.51 0.24 -1.66 0.00 0.00 0.00 175.10 174.47 2nnx s TRP 32 N 1.02 0.50 -4.93 5.22 -2.14 -0.24 -1.23 118.94 117.14 2nnx s TRP 32 Ca -0.03 -0.87 0.00 0.00 2.66 0.00 0.00 56.10 57.86 2nnx s TRP 32 Cb -0.15 -0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.08 2nnx s TRP 32 CO -0.05 -0.68 0.00 0.41 -2.66 0.00 0.00 176.95 173.98 2nnx n GLY 33 N -0.19 0.88 3.08 3.67 0.00 -0.99 -0.09 105.19 111.55 2nnx n GLY 33 Ca -0.07 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.22 -0.17 1.61 0.15 -1.13 -0.01 113.70 109.92 2nnx s SER 34 Ca 0.00 0.43 0.01 0.00 0.70 0.00 0.00 55.95 57.08 2nnx s SER 34 Cb 0.00 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2nnx s SER 34 CO 0.00 -0.08 -0.15 -0.63 1.20 0.00 0.00 173.24 173.58 2nnx s ILE 35 N 0.25 1.75 0.32 6.45 1.01 -0.53 -1.93 121.20 128.51 2nnx s ILE 35 Ca -0.01 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2nnx s ILE 35 Cb -0.03 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 2nnx s ILE 35 CO -0.01 0.39 0.47 -0.54 0.00 0.00 0.00 174.94 175.25 2nnx s LYS 36 N 1.39 3.30 0.00 2.79 1.02 0.63 -0.47 119.74 128.41 2nnx s LYS 36 Ca 0.03 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.30 2nnx s LYS 36 Cb -0.14 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2nnx s LYS 36 CO -0.10 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 2nnx n GLY 37 N -1.64 0.66 3.88 -3.33 0.00 -0.83 -1.87 105.19 102.05 2nnx n GLY 37 Ca -0.04 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 4.23 0.37 0.99 1.43 -0.72 -4.24 118.68 120.74 2nnx s LEU 38 Ca 0.00 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 53.66 2nnx s LEU 38 Cb 0.00 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 2nnx s LEU 38 CO 0.00 0.01 1.27 0.42 0.23 0.00 0.00 176.35 178.28 2nnx s THR 39 N -1.69 2.77 0.20 5.49 -4.23 -1.26 -3.99 115.64 112.94 2nnx s THR 39 Ca 0.43 0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 61.35 2nnx s THR 39 Cb -0.12 -3.43 -0.16 0.00 1.34 0.00 0.00 72.50 70.13 2nnx s THR 39 CO 0.21 0.13 0.92 1.21 -0.54 0.00 0.00 174.62 176.56 2nnx n GLU 40 N 0.39 0.80 0.00 3.99 2.13 -1.26 -4.66 120.64 122.04 2nnx n GLU 40 Ca 0.02 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2nnx n GLU 40 Cb 0.43 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 1.72 0.05 3.87 8.31 0.00 0.31 -4.92 105.19 114.53 2nnx n GLY 41 Ca 0.15 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 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 4.40 -0.03 0.99 1.43 -1.26 0.15 118.68 124.36 2nnx s LEU 42 Ca 0.00 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2nnx s LEU 42 Cb 0.00 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2nnx s LEU 42 CO 0.00 0.33 0.05 -1.00 0.23 0.00 0.00 176.35 175.96 2nnx s HIS 43 N -1.14 0.05 0.26 0.29 3.76 0.03 -2.80 115.29 115.74 2nnx s HIS 43 Ca 0.22 0.21 -0.30 0.00 -0.15 0.00 0.00 55.06 55.03 2nnx s HIS 43 Cb -0.13 -0.38 -0.14 0.00 1.11 0.00 0.00 32.58 33.03 2nnx s HIS 43 CO 0.11 -0.15 1.15 0.41 -0.85 0.00 0.00 174.74 175.41 2nnx n GLY 44 N 4.84 0.10 2.69 -2.22 0.00 -0.30 -1.41 105.19 108.89 2nnx n GLY 44 Ca -0.13 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.66 0.03 0.23 1.61 5.36 -0.10 -0.63 117.98 123.82 2nnx s PHE 45 Ca 0.64 0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 56.54 2nnx s PHE 45 Cb -0.72 -0.49 0.04 0.00 -0.34 0.00 0.00 43.02 41.51 2nnx s PHE 45 CO 0.56 -0.33 0.67 -0.98 -1.46 0.00 0.00 175.22 173.68 2nnx s ARG 46 N 2.20 1.57 -0.21 10.12 3.03 -0.89 -2.34 118.95 132.43 2nnx s ARG 46 Ca 0.04 -0.77 -0.09 0.00 2.03 0.00 0.00 55.73 56.94 2nnx s ARG 46 Cb -0.14 0.60 -0.04 0.00 -1.03 0.00 0.00 34.95 34.34 2nnx s ARG 46 CO -0.06 -0.71 0.11 0.08 -1.13 0.00 0.00 175.30 173.59 2nnx s VAL 47 N -3.84 5.07 0.32 4.99 1.01 -0.09 -1.00 120.40 126.85 2nnx s VAL 47 Ca 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2nnx s VAL 47 Cb -0.04 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2nnx s VAL 47 CO -0.02 0.41 0.54 -1.10 0.00 0.00 0.00 175.10 174.94 2nnx s GLN 48 N 0.70 3.54 0.18 2.72 -0.21 0.18 -1.01 119.66 125.76 2nnx s GLN 48 Ca 0.06 -0.20 -0.13 0.00 0.02 0.00 0.00 55.36 55.10 2nnx s GLN 48 Cb -0.13 -2.66 0.09 0.00 1.00 0.00 0.00 33.01 31.31 2nnx s GLN 48 CO 0.01 0.18 1.84 1.49 -2.12 0.00 0.00 175.29 176.70 2nnx h GLU 49 N 1.17 0.72 -5.99 2.91 4.81 -0.54 -3.06 114.58 114.60 2nnx h GLU 49 Ca -0.49 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.02 2nnx h GLU 49 Cb 1.21 -0.16 -0.19 0.00 0.63 0.00 0.00 28.75 30.23 2nnx h GLU 49 CO 0.64 0.48 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.65 2nnx s PHE 50 N -6.15 2.96 -0.28 0.92 0.08 -0.26 -4.71 117.98 110.54 2nnx s PHE 50 Ca -0.13 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.86 2nnx s PHE 50 Cb 0.13 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 2nnx s PHE 50 CO 0.75 0.28 2.69 0.41 -0.10 0.00 0.00 175.22 179.24 2nnx n GLY 51 N 2.43 3.83 3.35 4.36 0.00 -0.63 -3.55 105.19 114.98 2nnx n GLY 51 Ca -0.18 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 0.81 5.72 -0.27 1.61 -1.08 -1.26 -4.92 116.67 117.29 2nnx s ASP 52 Ca 0.48 -1.10 0.10 0.00 -0.52 0.00 0.00 52.55 51.51 2nnx s ASP 52 Cb 0.30 -2.02 0.49 0.00 -1.46 0.00 0.00 42.92 40.23 2nnx s ASP 52 CO -0.10 -0.42 1.42 0.59 0.52 0.00 0.00 175.17 177.18 2nnx n ASN 53 N 4.99 2.46 0.17 -0.34 4.13 -1.26 -2.99 115.26 122.42 2nnx n ASN 53 Ca -0.12 -3.72 0.02 0.00 1.68 0.00 0.00 54.58 52.45 2nnx n ASN 53 Cb 0.45 -0.61 0.31 0.00 -1.54 0.00 0.00 39.78 38.39 2nnx n ASN 53 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2nnx h THR 54 N 1.03 1.24 -0.78 3.41 1.35 -1.92 -2.23 112.91 115.01 2nnx h THR 54 Ca 0.17 -1.58 -0.55 0.00 -0.55 0.00 0.00 66.41 63.90 2nnx h THR 54 Cb 1.53 1.87 -0.36 0.00 -1.73 0.00 0.00 68.15 69.46 2nnx h THR 54 CO 0.31 0.44 -0.25 0.00 -0.25 0.00 0.00 175.52 175.77 2nnx n ALA 55 N -2.42 5.34 -0.53 6.62 0.00 -1.26 -5.07 120.51 123.19 2nnx n ALA 55 Ca -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.79 2nnx n ALA 55 Cb 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.81 1.85 0.22 0.00 0.00 -0.84 -3.37 105.19 102.24 2nnx n GLY 56 Ca 0.48 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.84 -0.17 0.00 1.35 -1.90 -3.20 112.91 109.83 2nnx h THR 58 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2nnx h THR 58 Cb 0.94 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2nnx h THR 58 CO 0.00 0.28 0.00 -1.54 -0.25 0.00 0.00 175.52 174.01 2nnx n SER 59 N -3.68 1.03 -0.28 5.36 3.41 -1.25 -4.19 113.62 114.02 2nnx n SER 59 Ca -0.01 -1.88 0.14 0.00 -0.26 0.00 0.00 58.87 56.86 2nnx n SER 59 Cb 0.40 -0.11 0.56 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.01 2.76 -0.03 7.33 0.00 -1.16 -4.50 120.51 124.93 2nnx n ALA 60 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2nnx n ALA 60 Cb 0.18 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.22 -1.06 3.96 0.00 0.00 -1.26 -1.10 105.19 106.95 2nnx n GLY 61 Ca 0.17 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 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 1.55 0.32 1.61 0.04 -1.26 -4.69 135.00 132.57 2nnx s PRO 62 Ca 0.00 -0.73 -0.29 0.00 0.04 0.00 0.00 61.00 60.01 2nnx s PRO 62 Cb 0.00 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2nnx s PRO 62 CO 0.00 -1.62 1.43 0.72 0.04 0.00 0.00 177.00 177.57 2nnx n HIS 63 N -3.07 2.57 -1.67 0.56 8.25 -1.26 -0.20 115.22 120.40 2nnx n HIS 63 Ca 0.13 0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 57.60 2nnx n HIS 63 Cb 0.60 -2.49 -0.03 0.00 1.12 0.00 0.00 29.99 29.19 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 1.05 2.54 -2.91 4.41 7.35 -0.18 -4.49 117.46 125.23 2nnx n PHE 64 Ca 0.06 -0.27 -0.12 0.00 -0.76 0.00 0.00 57.45 56.35 2nnx n PHE 64 Cb 0.36 -2.77 0.04 0.00 0.35 0.00 0.00 39.48 37.46 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 6.80 -0.91 0.20 -2.13 5.15 -1.26 -1.55 115.26 121.56 2nnx n ASN 65 Ca 0.20 -3.32 0.15 0.00 -0.60 0.00 0.00 54.58 51.00 2nnx n ASN 65 Cb 0.39 0.77 0.69 0.00 -0.53 0.00 0.00 39.78 41.10 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 2.95 0.00 -0.23 1.20 0.13 -1.93 -2.12 132.00 131.99 2nnx h PRO 66 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2nnx h PRO 66 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2nnx h PRO 66 CO 0.28 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.33 2nnx n LEU 67 N -2.54 3.14 -3.73 1.56 4.77 -1.26 -5.00 117.00 113.95 2nnx n LEU 67 Ca -0.00 -1.30 -0.22 0.00 -0.03 0.00 0.00 56.01 54.45 2nnx n LEU 67 Cb 0.15 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2nnx n LEU 67 CO 0.18 0.62 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.59 2nnx n SER 68 N 1.32 -1.32 -5.01 -1.43 7.64 -0.80 -5.01 113.62 109.02 2nnx n SER 68 Ca 0.16 -0.83 -0.17 0.00 1.01 0.00 0.00 58.87 59.04 2nnx n SER 68 Cb 0.57 -3.99 0.01 0.00 -1.01 0.00 0.00 64.21 59.79 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 -6.05 2.78 0.66 1.43 1.81 -1.26 -5.13 118.95 113.20 2nnx s ARG 69 Ca 0.04 -1.23 -0.07 0.00 -1.72 0.00 0.00 55.73 52.75 2nnx s ARG 69 Cb -0.02 -2.74 0.04 0.00 -0.45 0.00 0.00 34.95 31.78 2nnx s ARG 69 CO 0.82 -0.33 0.98 0.15 -0.68 0.00 0.00 175.30 176.24 2nnx s LYS 70 N -4.39 2.56 0.19 3.54 1.02 -1.26 -4.71 119.74 116.69 2nnx s LYS 70 Ca 0.55 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 2nnx s LYS 70 Cb -0.10 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 34.94 2nnx s LYS 70 CO 0.34 -1.01 1.32 -1.58 -0.92 0.00 0.00 175.35 173.50 2nnx s HIS 71 N -3.16 3.24 0.18 3.18 5.65 0.49 -3.09 115.29 121.77 2nnx s HIS 71 Ca 0.57 1.19 0.01 0.00 0.25 0.00 0.00 55.06 57.08 2nnx s HIS 71 Cb -0.11 -3.62 -0.00 0.00 -1.18 0.00 0.00 32.58 27.67 2nnx s HIS 71 CO 0.46 -1.96 0.21 0.41 -0.65 0.00 0.00 174.74 173.21 2nnx n GLY 72 N 2.46 2.93 3.89 1.59 0.00 -1.23 -4.18 105.19 110.65 2nnx n GLY 72 Ca 0.07 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.15 1.61 0.55 -0.02 0.00 -1.21 -4.72 107.32 101.38 2nnx s GLY 73 Ca 0.17 -0.39 0.27 0.00 0.00 0.00 0.00 44.72 44.77 2nnx s GLY 73 CO 0.12 -0.10 2.17 -0.56 0.00 0.00 0.00 173.10 174.74 2nnx h PRO 74 N -0.31 0.00 -0.67 2.90 0.13 -1.89 -1.52 132.00 130.63 2nnx h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2nnx h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2nnx h PRO 74 CO 0.62 0.05 0.00 0.36 -0.23 0.00 0.00 178.00 178.81 2nnx n LYS 75 N -3.87 2.66 -2.40 0.86 2.85 -1.26 -4.95 118.16 112.06 2nnx n LYS 75 Ca -0.03 -2.57 -0.32 0.00 -1.05 0.00 0.00 58.31 54.34 2nnx n LYS 75 Cb 0.14 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 32.93 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 -1.10 6.58 0.12 -5.58 1.01 -0.57 -5.02 116.67 112.11 2nnx s ASP 76 Ca 0.47 1.60 -0.13 0.00 0.71 0.00 0.00 52.55 55.20 2nnx s ASP 76 Cb 0.25 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 2nnx s ASP 76 CO 0.33 -0.62 1.48 -0.33 0.21 0.00 0.00 175.17 176.24 2nnx h GLU 77 N 0.95 0.79 -5.24 8.23 5.08 -1.92 -3.39 114.58 119.08 2nnx h GLU 77 Ca -0.47 -0.37 -0.66 0.00 -1.00 0.00 0.00 59.36 56.86 2nnx h GLU 77 Cb 1.19 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.27 2nnx h GLU 77 CO 0.61 1.00 -0.02 -1.21 -1.00 0.00 0.00 179.01 178.39 2nnx s GLU 78 N -4.53 3.43 0.14 2.33 0.41 -1.26 -5.04 118.70 114.19 2nnx s GLU 78 Ca -0.12 -0.31 -0.21 0.00 -0.41 0.00 0.00 54.97 53.91 2nnx s GLU 78 Cb 0.10 -3.88 0.06 0.00 -1.78 0.00 0.00 34.13 28.63 2nnx s GLU 78 CO 0.84 -0.79 0.54 -0.98 -0.49 0.00 0.00 175.26 174.38 2nnx s ARG 79 N 2.49 1.20 0.54 1.61 1.04 -1.18 -3.48 118.95 121.17 2nnx s ARG 79 Ca 0.19 -0.52 -0.17 0.00 -1.04 0.00 0.00 55.73 54.20 2nnx s ARG 79 Cb -0.15 0.55 -0.06 0.00 -2.04 0.00 0.00 34.95 33.24 2nnx s ARG 79 CO 0.15 -0.50 1.01 -1.01 -0.04 0.00 0.00 175.30 174.91 2nnx s HIS 80 N -3.65 3.27 0.26 5.89 3.76 -1.18 -4.68 115.29 118.95 2nnx s HIS 80 Ca 0.01 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.38 2nnx s HIS 80 Cb -0.00 -2.88 0.41 0.00 1.11 0.00 0.00 32.58 31.21 2nnx s HIS 80 CO -0.12 -0.65 1.85 0.28 -0.85 0.00 0.00 174.74 175.26 2nnx h VAL 81 N 0.80 1.02 0.00 -0.90 2.07 -1.75 -2.18 116.25 115.32 2nnx h VAL 81 Ca -0.47 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2nnx h VAL 81 Cb 1.20 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2nnx h VAL 81 CO 0.60 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.99 2nnx n GLY 82 N -1.34 -0.84 3.55 2.17 0.00 -0.60 -4.27 105.19 103.87 2nnx n GLY 82 Ca 0.15 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.01 5.60 -0.25 1.61 1.01 -0.82 -0.92 116.67 120.89 2nnx s ASP 83 Ca 0.40 -0.01 0.12 0.00 0.71 0.00 0.00 52.55 53.77 2nnx s ASP 83 Cb 0.18 -2.54 0.55 0.00 1.01 0.00 0.00 42.92 42.12 2nnx s ASP 83 CO 0.31 -2.19 1.50 0.18 0.21 0.00 0.00 175.17 175.19 2nnx n LEU 84 N 11.55 4.35 0.00 1.23 4.77 -0.99 -3.86 117.00 134.05 2nnx n LEU 84 Ca 0.15 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.76 2nnx n LEU 84 Cb 0.51 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2nnx n LEU 84 CO 0.70 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.32 2nnx n GLY 85 N -0.77 1.94 3.25 -0.72 0.00 -1.19 -4.73 105.19 102.97 2nnx n GLY 85 Ca 0.30 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 2.61 0.23 1.61 0.01 -1.26 -0.92 114.94 113.21 2nnx s ASN 86 Ca 0.00 -0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 51.73 2nnx s ASN 86 Cb 0.00 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.32 2nnx s ASN 86 CO 0.00 0.27 0.44 0.68 -1.51 0.00 0.00 177.10 176.98 2nnx s VAL 87 N -0.52 5.16 -0.21 1.60 -7.23 -0.50 -4.89 120.40 113.80 2nnx s VAL 87 Ca 0.08 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.96 2nnx s VAL 87 Cb -0.09 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 33.11 2nnx s VAL 87 CO -0.01 -0.22 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.59 2nnx s THR 88 N -1.94 3.10 -0.07 5.32 2.01 -1.26 -0.79 115.64 122.02 2nnx s THR 88 Ca 0.40 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 2nnx s THR 88 Cb -0.11 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2nnx s THR 88 CO 0.29 0.45 0.37 0.00 -0.69 0.00 0.00 174.62 175.03 2nnx s ALA 89 N 1.44 3.66 0.96 7.40 0.00 0.12 -4.03 121.76 131.31 2nnx s ALA 89 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 2nnx s ALA 89 Cb -0.14 -2.39 0.12 0.00 0.00 0.00 0.00 23.12 20.72 2nnx s ALA 89 CO -0.05 0.33 0.74 -0.40 0.00 0.00 0.00 175.76 176.38 2nnx n ASP 90 N 2.52 0.12 -0.22 0.00 5.68 -0.14 -0.53 116.55 123.98 2nnx n ASP 90 Ca -0.13 -1.31 0.23 0.00 -0.50 0.00 0.00 54.79 53.08 2nnx n ASP 90 Cb 0.52 -0.56 0.60 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.24 -0.02 0.11 1.57 -1.97 0.15 116.57 116.65 2nnx h LYS 91 Ca -0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2nnx h LYS 91 Cb 0.67 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2nnx h LYS 91 CO 0.18 0.16 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 2nnx n ASP 92 N -4.43 0.76 -0.10 0.86 8.00 -1.26 -4.85 116.55 115.54 2nnx n ASP 92 Ca 0.19 -1.32 -0.01 0.00 0.71 0.00 0.00 54.79 54.36 2nnx n ASP 92 Cb 0.81 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.89 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 1.06 0.46 3.55 0.44 0.00 0.54 -4.70 105.19 106.54 2nnx n GLY 93 Ca 0.20 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.05 4.83 -0.36 1.61 1.01 -1.26 -1.76 120.40 122.43 2nnx s VAL 94 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2nnx s VAL 94 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2nnx s VAL 94 CO 0.00 0.34 0.23 0.00 0.00 0.00 0.00 175.10 175.67 2nnx s ALA 95 N 1.33 3.39 -0.11 5.51 0.00 0.38 -0.97 121.76 131.30 2nnx s ALA 95 Ca 0.06 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.23 2nnx s ALA 95 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2nnx s ALA 95 CO 0.05 -1.19 0.72 0.34 0.00 0.00 0.00 175.76 175.68 2nnx s ASP 96 N 1.65 6.93 -0.20 0.00 2.15 -1.26 -1.45 116.67 124.48 2nnx s ASP 96 Ca 0.04 1.13 -0.06 0.00 0.43 0.00 0.00 52.55 54.09 2nnx s ASP 96 Cb -0.18 -2.41 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 2nnx s ASP 96 CO 0.08 -0.20 0.03 -0.69 -0.17 0.00 0.00 175.17 174.23 2nnx s VAL 97 N 1.26 4.31 -0.26 1.11 1.01 0.98 -4.75 120.40 124.07 2nnx s VAL 97 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2nnx s VAL 97 Cb -0.17 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.37 2nnx s VAL 97 CO 0.16 0.42 0.27 -0.55 0.00 0.00 0.00 175.10 175.39 2nnx s SER 98 N 0.90 1.56 0.07 3.32 0.15 -1.25 -2.36 113.70 116.09 2nnx s SER 98 Ca 0.02 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.22 2nnx s SER 98 Cb -0.14 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 2nnx s SER 98 CO 0.02 -0.36 -0.17 -0.63 1.20 0.00 0.00 173.24 173.30 2nnx s ILE 99 N 2.35 1.40 -0.08 6.45 1.01 -0.37 -4.99 121.20 126.98 2nnx s ILE 99 Ca 0.09 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.51 2nnx s ILE 99 Cb -0.15 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2nnx s ILE 99 CO -0.25 -0.03 -0.20 -0.70 0.00 0.00 0.00 174.94 173.76 2nnx s GLU 100 N -1.52 2.47 -0.01 2.79 2.12 -1.26 -0.68 118.70 122.61 2nnx s GLU 100 Ca 0.03 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.64 2nnx s GLU 100 Cb -0.09 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2nnx s GLU 100 CO 0.02 0.19 -0.05 0.34 -0.54 0.00 0.00 175.26 175.22 2nnx s ASP 101 N 0.28 0.66 0.00 -1.70 2.15 0.11 -4.95 116.67 113.23 2nnx s ASP 101 Ca -0.13 -0.10 0.15 0.00 0.43 0.00 0.00 52.55 52.90 2nnx s ASP 101 Cb -0.16 -0.12 -0.00 0.00 -0.30 0.00 0.00 42.92 42.34 2nnx s ASP 101 CO 0.06 0.04 0.83 -1.20 -0.17 0.00 0.00 175.17 174.73 2nnx n SER 102 N 3.13 1.57 -0.12 -0.34 7.64 -1.26 0.14 113.62 124.39 2nnx n SER 102 Ca -0.15 -1.29 -0.24 0.00 1.01 0.00 0.00 58.87 58.20 2nnx n SER 102 Cb 0.57 0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.13 1.55 -1.00 0.44 0.31 -1.26 -4.93 118.33 113.30 2nnx n VAL 103 Ca 0.06 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.68 2nnx n VAL 103 Cb 0.32 -1.75 0.15 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.50 2.56 0.11 2.52 -4.36 -1.26 -4.88 121.20 113.39 2nnx s ILE 104 Ca -0.34 0.18 -0.16 0.00 -0.26 0.00 0.00 60.65 60.06 2nnx s ILE 104 Cb 0.11 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.36 2nnx s ILE 104 CO 0.57 -0.24 0.40 -0.55 0.24 0.00 0.00 174.94 175.36 2nnx s SER 105 N -3.11 -0.24 0.00 4.36 0.15 -1.06 -4.71 113.70 109.09 2nnx s SER 105 Ca 0.64 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.29 2nnx s SER 105 Cb -0.20 0.46 0.40 0.00 -1.71 0.00 0.00 66.02 64.97 2nnx s SER 105 CO 0.58 -0.81 1.38 0.18 1.20 0.00 0.00 173.24 175.77 2nnx n LEU 106 N -0.05 3.01 -4.01 3.45 4.77 -1.26 -1.06 117.00 121.84 2nnx n LEU 106 Ca -0.17 -1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 54.54 2nnx n LEU 106 Cb 0.63 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2nnx n LEU 106 CO 0.18 0.58 0.21 -0.94 -1.33 0.00 0.00 177.39 176.09 2nnx s SER 107 N -1.74 0.38 0.18 -1.43 1.04 -1.26 -3.95 113.70 106.91 2nnx s SER 107 Ca 0.34 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2nnx s SER 107 Cb 0.21 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2nnx s SER 107 CO 0.31 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2nnx n GLY 108 N -0.48 -1.21 0.09 7.32 0.00 -1.26 -3.46 105.19 106.19 2nnx n GLY 108 Ca -0.01 -1.25 0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.40 0.40 -1.43 1.61 5.68 -1.26 -2.69 116.55 118.46 2nnx n ASP 109 Ca 0.00 -0.45 0.11 0.00 -0.50 0.00 0.00 54.79 53.95 2nnx n ASP 109 Cb 0.00 -0.10 0.34 0.00 -1.14 0.00 0.00 41.12 40.21 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 -1.05 1.15 -1.66 2.11 8.25 -1.26 -4.97 115.22 117.79 2nnx n HIS 110 Ca 0.14 -0.53 -0.49 0.00 -0.26 0.00 0.00 57.72 56.58 2nnx n HIS 110 Cb 0.28 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 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 3.84 0.27 -1.96 0.00 -5.35 -0.23 -4.93 119.36 110.99 2nnx n ILE 112 Ca 0.20 -0.63 -0.42 0.00 -0.27 0.00 0.00 62.75 61.62 2nnx n ILE 112 Cb 0.26 1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 39.31 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 -1.52 2.63 0.00 7.28 -1.09 -1.26 -2.32 121.20 124.92 2nnx s ILE 113 Ca 0.29 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2nnx s ILE 113 Cb 0.19 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2nnx s ILE 113 CO 0.27 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2nnx n GLY 114 N 3.07 0.52 3.84 6.18 0.00 0.63 -5.00 105.19 114.42 2nnx n GLY 114 Ca 0.11 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.92 0.68 -4.50 1.61 1.74 -0.98 -1.61 116.66 110.68 2nnx n ARG 115 Ca 0.00 -3.58 -0.33 0.00 -0.77 0.00 0.00 57.85 53.17 2nnx n ARG 115 Cb 0.00 0.55 -0.14 0.00 -1.02 0.00 0.00 32.46 31.84 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 -2.81 3.11 -0.07 0.55 2.01 -1.16 -0.14 115.64 117.14 2nnx s THR 116 Ca 0.23 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 2nnx s THR 116 Cb -0.02 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 2nnx s THR 116 CO 0.15 0.50 0.37 -0.22 -0.69 0.00 0.00 174.62 174.72 2nnx s LEU 117 N 0.68 4.37 0.04 4.42 2.96 -0.74 0.51 118.68 130.93 2nnx s LEU 117 Ca -0.06 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2nnx s LEU 117 Cb -0.15 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 2nnx s LEU 117 CO 0.02 0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.45 2nnx s VAL 118 N -0.38 0.99 -0.05 1.68 1.01 -0.17 -2.21 120.40 121.27 2nnx s VAL 118 Ca 0.21 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2nnx s VAL 118 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2nnx s VAL 118 CO 0.10 -0.08 -0.21 0.54 0.00 0.00 0.00 175.10 175.45 2nnx s VAL 119 N -0.94 2.44 0.41 2.92 0.11 -0.34 -2.09 120.40 122.90 2nnx s VAL 119 Ca -0.01 -0.94 0.08 0.00 -2.93 0.00 0.00 61.98 58.18 2nnx s VAL 119 Cb -0.08 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 2nnx s VAL 119 CO 0.01 0.58 0.36 -1.00 -3.33 0.00 0.00 175.10 171.72 2nnx s HIS 120 N -0.45 2.73 0.27 1.54 3.76 0.19 0.21 115.29 123.54 2nnx s HIS 120 Ca 0.05 -0.47 -0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2nnx s HIS 120 Cb -0.12 -2.12 0.37 0.00 1.11 0.00 0.00 32.58 31.83 2nnx s HIS 120 CO 0.01 -0.07 1.75 1.49 -0.85 0.00 0.00 174.74 177.08 2nnx h GLU 121 N 1.07 0.69 0.00 1.40 4.81 -0.20 -3.39 114.58 118.96 2nnx h GLU 121 Ca -0.42 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 58.55 2nnx h GLU 121 Cb 1.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2nnx h GLU 121 CO 0.58 0.76 -0.05 0.36 -0.73 0.00 0.00 179.01 179.92 2nnx n LYS 122 N -4.20 0.10 -2.19 1.92 2.85 -0.40 -4.94 118.16 111.31 2nnx n LYS 122 Ca 0.02 -0.53 -0.41 0.00 -1.05 0.00 0.00 58.31 56.34 2nnx n LYS 122 Cb 0.33 0.47 -0.03 0.00 -0.65 0.00 0.00 35.03 35.15 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 -2.00 3.51 -0.10 0.58 0.00 -1.12 -1.14 121.76 121.49 2nnx s ALA 123 Ca 0.06 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 2nnx s ALA 123 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2nnx s ALA 123 CO 0.04 -0.55 1.50 0.34 0.00 0.00 0.00 175.76 177.09 2nnx s ASP 124 N -0.21 6.78 0.00 0.00 -1.08 -1.26 -3.73 116.67 117.16 2nnx s ASP 124 Ca 0.52 2.02 0.22 0.00 -0.52 0.00 0.00 52.55 54.79 2nnx s ASP 124 Cb -0.38 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 39.80 2nnx s ASP 124 CO 0.46 -0.86 1.82 -0.90 0.52 0.00 0.00 175.17 176.20 2nnx n ASP 125 N 6.93 0.21 -1.63 -0.34 5.68 0.31 -4.89 116.55 122.81 2nnx n ASP 125 Ca 0.16 -1.35 -0.15 0.00 -0.50 0.00 0.00 54.79 52.94 2nnx n ASP 125 Cb 0.44 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.70 -1.58 -0.12 -2.12 4.77 -1.26 -2.34 117.00 113.64 2nnx n LEU 126 Ca 0.17 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.20 2nnx n LEU 126 Cb 0.11 -2.29 -0.01 0.00 -2.33 0.00 0.00 43.42 38.90 2nnx n LEU 126 CO 0.13 -0.30 -0.02 0.61 -1.33 0.00 0.00 177.39 176.48 2nnx n GLY 127 N -1.03 0.53 0.30 -0.72 0.00 -1.24 -3.32 105.19 99.71 2nnx n GLY 127 Ca -0.18 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.72 1.38 0.18 1.61 5.02 -0.99 -4.65 118.16 117.99 2nnx n LYS 128 Ca -0.02 -2.85 0.07 0.00 -2.02 0.00 0.00 58.31 53.49 2nnx n LYS 128 Cb 0.08 -1.53 0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.41 0.00 -0.04 0.72 0.00 -1.91 -3.48 103.07 98.77 2nnx h GLY 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 1.15 0.73 3.20 4.60 0.00 -1.26 -5.04 105.19 108.58 2nnx n GLY 130 Ca 0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.78 0.23 0.32 1.61 2.20 -1.26 -5.05 114.94 110.21 2nnx s ASN 131 Ca 0.00 -0.98 0.07 0.00 -0.94 0.00 0.00 52.86 51.02 2nnx s ASN 131 Cb 0.00 0.33 0.91 0.00 -2.00 0.00 0.00 41.25 40.48 2nnx s ASN 131 CO 0.00 -0.75 1.61 -0.08 -2.94 0.00 0.00 177.10 174.94 2nnx h GLU 132 N 2.81 0.11 0.00 3.55 4.57 -2.01 -1.79 114.58 121.81 2nnx h GLU 132 Ca -0.34 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.73 2nnx h GLU 132 Cb 1.20 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2nnx h GLU 132 CO 0.57 0.07 -0.50 1.49 -1.18 0.00 0.00 179.01 179.46 2nnx h GLU 133 N 0.11 0.00 -0.81 1.92 4.57 -2.00 -3.10 114.58 115.28 2nnx h GLU 133 Ca 0.65 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.83 2nnx h GLU 133 Cb 1.46 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.01 2nnx h GLU 133 CO -0.76 0.50 0.50 1.03 -1.18 0.00 0.00 179.01 179.10 2nnx h SER 134 N 0.00 0.96 0.09 1.04 0.87 -1.68 0.42 113.55 115.25 2nnx h SER 134 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2nnx h SER 134 Cb 1.13 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2nnx h SER 134 CO 0.06 0.73 -0.01 0.35 -0.53 0.00 0.00 176.83 177.43 2nnx n THR 135 N -4.48 0.00 -0.09 2.23 -2.24 -1.17 -2.34 114.28 106.19 2nnx n THR 135 Ca 0.08 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.66 2nnx n THR 135 Cb 0.04 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 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 -0.86 0.45 0.00 -0.78 5.02 -0.87 -0.38 118.16 120.74 2nnx n LYS 136 Ca 0.21 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2nnx n LYS 136 Cb 0.17 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 -4.11 0.00 -0.98 -0.18 -2.24 0.08 -4.56 114.28 102.29 2nnx n THR 137 Ca -0.29 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2nnx n THR 137 Cb 0.63 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.00 0.61 3.71 3.38 0.00 -0.99 -4.32 105.19 108.58 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 -0.07 -4.14 -0.53 1.61 3.02 -1.26 -0.53 115.26 113.36 2nnx n ASN 139 Ca 0.00 -0.70 0.06 0.00 -0.03 0.00 0.00 54.58 53.92 2nnx n ASN 139 Cb 0.04 -4.43 0.20 0.00 -0.61 0.00 0.00 39.78 34.97 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 -4.62 2.47 -0.39 5.41 0.00 -1.24 -4.73 120.51 117.40 2nnx n ALA 140 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2nnx n ALA 140 Cb 0.59 -1.01 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 1.00 -0.09 3.82 0.00 0.00 -1.26 -1.27 105.19 107.39 2nnx n GLY 141 Ca 0.11 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 5.71 -0.19 1.61 1.04 -1.26 -4.62 113.70 111.98 2nnx s SER 142 Ca 0.00 1.66 -0.28 0.00 0.48 0.00 0.00 55.95 57.82 2nnx s SER 142 Cb 0.00 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.61 2nnx s SER 142 CO 0.00 -1.22 0.96 -0.13 0.98 0.00 0.00 173.24 173.83 2nnx s ARG 143 N -4.64 4.29 -0.18 4.02 0.52 -1.26 -0.02 118.95 121.68 2nnx s ARG 143 Ca 0.60 1.23 -0.03 0.00 -0.52 0.00 0.00 55.73 57.01 2nnx s ARG 143 Cb -0.14 -3.61 -0.22 0.00 0.52 0.00 0.00 34.95 31.50 2nnx s ARG 143 CO 0.47 -0.49 0.12 1.28 0.02 0.00 0.00 175.30 176.69 2nnx n LEU 144 N 5.79 2.77 -3.82 2.53 4.77 0.13 -4.92 117.00 124.26 2nnx n LEU 144 Ca 0.09 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2nnx n LEU 144 Cb 0.47 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.45 2nnx n LEU 144 CO 0.51 0.89 -0.07 0.00 -1.33 0.00 0.00 177.39 177.38 2nnx s ALA 145 N -2.54 -0.53 0.20 -1.18 0.00 -1.14 -4.12 121.76 112.44 2nnx s ALA 145 Ca -0.28 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 2nnx s ALA 145 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2nnx s ALA 145 CO 0.70 -0.27 0.43 0.00 0.00 0.00 0.00 175.76 176.62 2nnx s GLY 147 N -2.95 -0.20 0.06 0.00 0.00 -0.94 -1.25 107.32 102.04 2nnx s GLY 147 Ca 0.16 -0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.62 2nnx s GLY 147 CO 0.02 -0.01 0.82 0.14 0.00 0.00 0.00 173.10 174.07 2nnx s VAL 148 N -3.58 4.68 -0.32 1.40 1.01 -1.26 -1.80 120.40 120.54 2nnx s VAL 148 Ca 0.11 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 2nnx s VAL 148 Cb -0.03 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2nnx s VAL 148 CO 0.03 0.34 1.14 -0.63 0.00 0.00 0.00 175.10 175.98 2nnx s ILE 149 N 0.01 4.40 0.15 2.22 1.01 0.80 -4.52 121.20 125.28 2nnx s ILE 149 Ca 0.41 1.61 0.05 0.00 0.00 0.00 0.00 60.65 62.72 2nnx s ILE 149 Cb -0.21 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2nnx s ILE 149 CO 0.25 -0.49 0.08 -0.83 0.00 0.00 0.00 174.94 173.95 2nnx s GLY 150 N 1.95 1.77 0.13 6.18 0.00 -0.39 -0.27 107.32 116.69 2nnx s GLY 150 Ca 0.48 -1.22 -0.31 0.00 0.00 0.00 0.00 44.72 43.67 2nnx s GLY 150 CO 0.18 -1.23 1.63 -0.42 0.00 0.00 0.00 173.10 173.25 2nnx s ILE 151 N -1.67 2.75 -0.10 0.90 1.01 -1.26 -1.30 121.20 121.54 2nnx s ILE 151 Ca 0.29 0.42 0.11 0.00 0.00 0.00 0.00 60.65 61.47 2nnx s ILE 151 Cb -0.10 -3.27 -0.16 0.00 0.01 0.00 0.00 42.46 38.94 2nnx s ILE 151 CO 0.21 0.02 0.10 0.00 0.00 0.00 0.00 174.94 175.27 2nnx n ALA 152 N 4.72 1.89 -1.75 9.38 0.00 0.32 -4.82 120.51 130.24 2nnx n ALA 152 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2nnx n ALA 152 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2nnx n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44