#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ozw s ALA 2 N 0.00 -0.44 0.05 -5.12 0.00 -1.26 -5.13 121.76 109.85 2ozw s ALA 2 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.49 2ozw s ALA 2 Cb 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 23.12 23.30 2ozw s ALA 2 CO 0.00 -0.34 1.48 0.08 0.00 0.00 0.00 175.76 176.98 2ozw s VAL 3 N -2.30 3.39 0.70 0.00 1.01 -1.26 -4.86 120.40 117.08 2ozw s VAL 3 Ca -0.07 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 2ozw s VAL 3 Cb -0.02 -3.55 0.17 0.00 0.00 0.00 0.00 36.38 32.98 2ozw s VAL 3 CO -0.02 0.01 0.82 0.00 0.00 0.00 0.00 175.10 175.91 2ozw n ALA 4 N 5.15 -1.46 -3.23 5.51 0.00 -1.26 -5.04 120.51 120.18 2ozw n ALA 4 Ca 0.14 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 2ozw n ALA 4 Cb 0.42 -0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2ozw n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ozw s ASP 5 N -3.94 -0.21 0.42 0.00 -1.08 -1.26 -4.83 116.67 105.77 2ozw s ASP 5 Ca 0.49 0.20 0.14 0.00 -0.52 0.00 0.00 52.55 52.86 2ozw s ASP 5 Cb -0.02 0.39 1.01 0.00 -1.46 0.00 0.00 42.92 42.84 2ozw s ASP 5 CO 0.35 -0.37 1.95 -0.07 0.52 0.00 0.00 175.17 177.56 2ozw h LEU 6 N 4.30 0.41 -1.58 -1.34 3.38 -1.99 -0.89 115.31 117.60 2ozw h LEU 6 Ca -0.29 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2ozw h LEU 6 Cb 1.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2ozw h LEU 6 CO 0.38 0.23 -0.20 0.00 0.09 0.00 0.00 178.44 178.94 2ozw h ALA 7 N 1.66 1.23 0.00 1.53 0.00 -2.00 -2.82 119.26 118.86 2ozw h ALA 7 Ca 0.32 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2ozw h ALA 7 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ozw h ALA 7 CO -0.10 0.24 -0.39 -0.07 0.00 0.00 0.00 179.25 178.94 2ozw h LEU 8 N 0.00 0.00 -9.52 0.00 3.38 -1.58 -3.45 115.31 104.14 2ozw h LEU 8 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2ozw h LEU 8 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.27 2ozw h LEU 8 CO 0.03 0.39 0.79 -0.63 0.09 0.00 0.00 178.44 179.10 2ozw s ILE 9 N -3.07 3.25 -0.18 1.22 1.01 -1.07 -4.92 121.20 117.44 2ozw s ILE 9 Ca 0.04 0.85 -0.40 0.00 0.00 0.00 0.00 60.65 61.15 2ozw s ILE 9 Cb 0.07 -3.55 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 2ozw s ILE 9 CO 0.72 0.05 1.61 -2.65 0.00 0.00 0.00 174.94 174.67 2ozw n PRO 10 N 4.33 1.06 -0.01 2.79 -0.02 -1.26 -4.89 135.00 137.00 2ozw n PRO 10 Ca 0.12 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2ozw n PRO 10 Cb 0.42 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 2ozw n PRO 10 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ozw h ASP 11 N 6.27 0.74 -3.65 2.55 3.58 -1.91 -3.44 116.42 120.57 2ozw h ASP 11 Ca -0.47 -0.42 -0.32 0.00 0.42 0.00 0.00 57.03 56.24 2ozw h ASP 11 Cb 1.33 -0.21 -0.31 0.00 1.72 0.00 0.00 39.33 41.85 2ozw h ASP 11 CO 0.90 1.17 -0.75 -0.69 -2.88 0.00 0.00 179.24 177.00 2ozw s VAL 12 N -3.94 0.23 -0.20 2.25 1.01 -1.26 -1.71 120.40 116.77 2ozw s VAL 12 Ca -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2ozw s VAL 12 Cb 0.10 -0.26 0.09 0.00 0.00 0.00 0.00 36.38 36.32 2ozw s VAL 12 CO 0.86 0.12 0.43 -0.62 0.00 0.00 0.00 175.10 175.89 2ozw s ASP 13 N 0.53 -0.31 0.22 3.32 2.15 -0.86 -4.99 116.67 116.74 2ozw s ASP 13 Ca -0.05 1.03 -0.09 0.00 0.43 0.00 0.00 52.55 53.86 2ozw s ASP 13 Cb -0.08 1.41 -0.01 0.00 -0.30 0.00 0.00 42.92 43.93 2ozw s ASP 13 CO -0.01 -0.23 0.35 0.27 -0.17 0.00 0.00 175.17 175.38 2ozw s ILE 14 N 2.63 0.01 -0.36 4.11 -4.36 -1.26 -3.53 121.20 118.45 2ozw s ILE 14 Ca -0.02 -1.55 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2ozw s ILE 14 Cb -0.12 -2.20 0.11 0.00 1.25 0.00 0.00 42.46 41.50 2ozw s ILE 14 CO -0.13 -0.06 0.11 -0.62 0.24 0.00 0.00 174.94 174.48 2ozw s ASP 15 N -3.04 4.28 -0.11 4.36 2.15 -0.59 -4.99 116.67 118.74 2ozw s ASP 15 Ca 0.25 -2.10 -0.03 0.00 0.43 0.00 0.00 52.55 51.10 2ozw s ASP 15 Cb 0.02 -1.25 -0.13 0.00 -0.30 0.00 0.00 42.92 41.26 2ozw s ASP 15 CO 0.08 -0.36 2.16 -1.20 -0.17 0.00 0.00 175.17 175.67 2ozw n SER 16 N 4.28 3.03 -0.19 -0.34 7.64 -1.26 -4.36 113.62 122.43 2ozw n SER 16 Ca 0.02 -2.06 0.01 0.00 1.01 0.00 0.00 58.87 57.85 2ozw n SER 16 Cb 0.40 -0.80 0.26 0.00 -1.01 0.00 0.00 64.21 63.07 2ozw n SER 16 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ozw h ASP 17 N 4.64 0.82 0.00 6.43 3.58 -1.96 -3.46 116.42 126.46 2ozw h ASP 17 Ca 0.15 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ozw h ASP 17 Cb 0.73 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2ozw h ASP 17 CO 0.49 0.60 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 2ozw n GLY 18 N -1.40 0.48 2.80 -0.78 0.00 -1.26 -5.07 105.19 99.96 2ozw n GLY 18 Ca 0.07 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 2ozw n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ozw s VAL 19 N 0.00 -0.16 -0.03 1.61 1.01 -1.26 -4.45 120.40 117.12 2ozw s VAL 19 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 2ozw s VAL 19 Cb 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 36.38 36.23 2ozw s VAL 19 CO 0.00 0.14 0.68 0.72 0.00 0.00 0.00 175.10 176.63 2ozw s PHE 20 N 1.92 -0.64 0.61 5.22 -0.71 -1.24 -4.92 117.98 118.21 2ozw s PHE 20 Ca -0.00 1.03 -0.14 0.00 -1.04 0.00 0.00 56.93 56.77 2ozw s PHE 20 Cb -0.12 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 2ozw s PHE 20 CO -0.05 -0.63 1.04 0.15 -1.34 0.00 0.00 175.22 174.39 2ozw s LYS 21 N -1.50 3.34 0.13 1.99 1.02 -1.26 -1.51 119.74 121.95 2ozw s LYS 21 Ca -0.09 1.08 -0.08 0.00 0.02 0.00 0.00 55.97 56.89 2ozw s LYS 21 Cb -0.00 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2ozw s LYS 21 CO 0.07 -0.79 0.22 1.52 -0.92 0.00 0.00 175.35 175.46 2ozw s TYR 22 N -2.67 0.36 0.08 3.18 1.13 0.09 -2.96 117.35 116.55 2ozw s TYR 22 Ca 0.61 -0.75 0.02 0.00 -1.41 0.00 0.00 57.07 55.53 2ozw s TYR 22 Cb -0.14 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 2ozw s TYR 22 CO 0.42 -0.63 -0.07 0.14 -2.51 0.00 0.00 175.55 172.89 2ozw s VAL 23 N -3.94 0.63 -0.23 -3.49 -7.23 0.06 -1.80 120.40 104.39 2ozw s VAL 23 Ca 0.13 -1.60 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2ozw s VAL 23 Cb 0.04 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 2ozw s VAL 23 CO -0.04 -0.68 0.05 -0.22 -0.31 0.00 0.00 175.10 173.90 2ozw s LEU 24 N -2.46 3.40 -0.15 1.32 1.98 -0.98 -2.27 118.68 119.52 2ozw s LEU 24 Ca 0.03 -0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.10 2ozw s LEU 24 Cb -0.01 -1.89 0.02 0.00 0.66 0.00 0.00 46.19 44.97 2ozw s LEU 24 CO -0.03 0.01 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.62 2ozw s ILE 25 N 1.32 1.89 0.36 6.68 1.01 -0.57 -0.53 121.20 131.36 2ozw s ILE 25 Ca 0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 2ozw s ILE 25 Cb -0.15 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.51 2ozw s ILE 25 CO 0.03 0.52 0.92 -0.60 0.00 0.00 0.00 174.94 175.80 2ozw s ARG 26 N 1.12 4.39 0.02 2.79 3.52 0.39 -0.72 118.95 130.46 2ozw s ARG 26 Ca -0.01 1.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.81 2ozw s ARG 26 Cb -0.14 -2.55 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 2ozw s ARG 26 CO -0.07 0.16 -0.11 0.08 -0.81 0.00 0.00 175.30 174.55 2ozw s VAL 27 N -1.84 0.86 -0.02 7.11 1.01 0.67 -1.64 120.40 126.55 2ozw s VAL 27 Ca 0.54 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2ozw s VAL 27 Cb -0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2ozw s VAL 27 CO 0.19 0.04 -0.14 -1.00 0.00 0.00 0.00 175.10 174.19 2ozw s HIS 28 N -0.64 1.31 -0.16 5.22 0.09 0.30 -1.09 115.29 120.31 2ozw s HIS 28 Ca 0.01 -0.29 -0.29 0.00 -0.00 0.00 0.00 55.06 54.49 2ozw s HIS 28 Cb -0.06 -0.86 -0.04 0.00 -0.00 0.00 0.00 32.58 31.61 2ozw s HIS 28 CO 0.00 -0.06 1.72 -1.54 -0.00 0.00 0.00 174.74 174.86 2ozw s SER 29 N -0.17 6.35 0.00 1.40 1.04 -0.23 -2.65 113.70 119.43 2ozw s SER 29 Ca 0.02 1.86 0.11 0.00 0.48 0.00 0.00 55.95 58.43 2ozw s SER 29 Cb -0.07 -2.53 0.19 0.00 0.10 0.00 0.00 66.02 63.70 2ozw s SER 29 CO 0.00 -1.25 1.02 0.00 0.98 0.00 0.00 173.24 173.99 2ozw n ALA 30 N 8.45 2.71 -1.09 5.32 0.00 -1.26 -4.57 120.51 130.07 2ozw n ALA 30 Ca 0.20 -1.38 -0.33 0.00 0.00 0.00 0.00 53.44 51.92 2ozw n ALA 30 Cb 0.44 -0.50 0.13 0.00 0.00 0.00 0.00 19.45 19.53 2ozw n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ozw n PRO 31 N 0.22 0.15 -1.25 0.00 -0.04 -1.26 -1.61 135.00 131.21 2ozw n PRO 31 Ca -0.06 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 2ozw n PRO 31 Cb 0.87 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.87 2ozw n PRO 31 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ozw n ARG 32 N -3.27 -1.31 -2.68 0.54 0.63 0.39 -1.52 116.66 109.43 2ozw n ARG 32 Ca 0.13 0.62 -0.14 0.00 -0.92 0.00 0.00 57.85 57.54 2ozw n ARG 32 Cb 0.50 -4.76 -0.00 0.00 0.45 0.00 0.00 32.46 28.65 2ozw n ARG 32 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ozw n SER 33 N -0.15 -3.62 0.00 6.15 7.64 -0.63 -4.67 113.62 118.33 2ozw n SER 33 Ca -0.10 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2ozw n SER 33 Cb 0.35 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 2ozw n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ozw n GLY 34 N -0.88 0.67 3.72 0.23 0.00 -0.85 -5.13 105.19 102.96 2ozw n GLY 34 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2ozw n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozw n ALA 35 N 0.00 1.61 0.52 4.61 0.00 -0.58 -4.92 120.51 121.75 2ozw n ALA 35 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.85 2ozw n ALA 35 Cb 0.20 -2.32 0.39 0.00 0.00 0.00 0.00 19.45 17.72 2ozw n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ozw h PRO 36 N 2.28 0.00 -7.25 0.00 0.13 -1.95 -3.46 132.00 121.76 2ozw h PRO 36 Ca -0.49 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 2ozw h PRO 36 Cb 1.28 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.57 2ozw h PRO 36 CO 0.61 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.68 2ozw s ALA 37 N -3.16 1.90 -0.46 -0.56 0.00 -1.26 -5.03 121.76 113.20 2ozw s ALA 37 Ca 0.09 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.71 2ozw s ALA 37 Cb 0.11 -3.41 0.20 0.00 0.00 0.00 0.00 23.12 20.02 2ozw s ALA 37 CO 0.58 -2.18 0.60 0.00 0.00 0.00 0.00 175.76 174.75 2ozw n ALA 38 N -3.51 0.45 -2.29 0.00 0.00 -1.26 -4.75 120.51 109.15 2ozw n ALA 38 Ca 0.12 -2.16 -0.18 0.00 0.00 0.00 0.00 53.44 51.22 2ozw n ALA 38 Cb 0.52 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 2ozw n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ozw s GLU 39 N 0.24 1.59 0.05 0.00 2.02 -1.26 -4.99 118.70 116.34 2ozw s GLU 39 Ca 0.32 -1.91 -0.02 0.00 0.02 0.00 0.00 54.97 53.38 2ozw s GLU 39 Cb 0.08 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 2ozw s GLU 39 CO -0.14 -0.52 -0.00 -1.12 0.02 0.00 0.00 175.26 173.49 2ozw s SER 40 N -3.34 0.39 0.22 -0.19 0.01 -1.26 -1.07 113.70 108.46 2ozw s SER 40 Ca 0.38 -0.85 -0.14 0.00 1.31 0.00 0.00 55.95 56.66 2ozw s SER 40 Cb 0.04 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2ozw s SER 40 CO 0.20 -0.55 0.46 -0.75 0.41 0.00 0.00 173.24 173.01 2ozw s LYS 41 N -3.38 1.43 0.10 12.44 2.36 -0.25 -4.99 119.74 127.44 2ozw s LYS 41 Ca 0.02 -1.12 0.04 0.00 -2.55 0.00 0.00 55.97 52.35 2ozw s LYS 41 Cb 0.04 0.47 -0.04 0.00 -1.05 0.00 0.00 37.83 37.25 2ozw s LYS 41 CO -0.08 -0.59 -0.10 -1.21 1.55 0.00 0.00 175.35 174.93 2ozw s GLU 42 N -3.96 0.87 0.07 4.03 8.01 -1.26 -0.23 118.70 126.22 2ozw s GLU 42 Ca 0.17 -1.22 0.02 0.00 0.01 0.00 0.00 54.97 53.95 2ozw s GLU 42 Cb -0.00 -0.50 -0.03 0.00 -4.31 0.00 0.00 34.13 29.28 2ozw s GLU 42 CO 0.04 0.07 -0.07 0.96 0.01 0.00 0.00 175.26 176.27 2ozw s ILE 43 N -2.70 0.58 -0.17 -1.63 -4.36 0.10 -4.87 121.20 108.16 2ozw s ILE 43 Ca 0.08 -1.52 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2ozw s ILE 43 Cb -0.01 -1.16 0.01 0.00 1.25 0.00 0.00 42.46 42.55 2ozw s ILE 43 CO -0.00 -0.66 -0.17 -0.69 0.24 0.00 0.00 174.94 173.65 2ozw s VAL 44 N -2.60 2.36 0.04 8.37 1.01 -0.69 -1.52 120.40 127.38 2ozw s VAL 44 Ca 0.01 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2ozw s VAL 44 Cb -0.02 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2ozw s VAL 44 CO -0.03 0.52 -0.15 -0.13 0.00 0.00 0.00 175.10 175.31 2ozw s ARG 45 N 1.10 0.98 0.00 2.72 1.81 -0.96 -2.02 118.95 122.58 2ozw s ARG 45 Ca 0.00 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 2ozw s ARG 45 Cb -0.14 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.34 2ozw s ARG 45 CO -0.06 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 2ozw n GLY 46 N 1.81 1.24 3.35 -3.53 0.00 -1.23 -0.77 105.19 106.06 2ozw n GLY 46 Ca -0.18 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2ozw n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ozw s TYR 47 N -0.14 -0.34 0.53 1.61 1.51 -1.15 -1.54 117.35 117.83 2ozw s TYR 47 Ca 0.00 0.46 0.19 0.00 -1.01 0.00 0.00 57.07 56.72 2ozw s TYR 47 Cb 0.00 0.24 1.36 0.00 -0.11 0.00 0.00 41.96 43.45 2ozw s TYR 47 CO 0.00 -0.53 2.13 1.57 -1.11 0.00 0.00 175.55 177.60 2ozw h LYS 48 N 3.23 0.00 0.00 -0.62 2.10 -1.87 -1.91 116.57 117.50 2ozw h LYS 48 Ca -0.30 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.31 2ozw h LYS 48 Cb 1.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2ozw h LYS 48 CO 0.41 0.00 -0.20 0.11 -2.00 0.00 0.00 179.45 177.77 2ozw h TRP 49 N 0.00 0.00 -0.98 0.07 5.08 -1.96 -3.25 115.95 114.90 2ozw h TRP 49 Ca 0.05 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.31 2ozw h TRP 49 Cb 0.21 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.27 2ozw h TRP 49 CO 0.00 0.20 2.25 0.00 -1.28 0.00 0.00 178.44 179.62 2ozw n ALA 50 N -2.39 4.46 0.48 0.11 0.00 -0.72 -4.75 120.51 117.71 2ozw n ALA 50 Ca -0.02 -4.02 0.05 0.00 0.00 0.00 0.00 53.44 49.46 2ozw n ALA 50 Cb 0.29 -3.37 0.26 0.00 0.00 0.00 0.00 19.45 16.63 2ozw n ALA 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ozw n GLU 51 N 6.45 0.12 -4.05 0.00 2.13 -1.23 -4.37 120.64 119.70 2ozw n GLU 51 Ca 0.46 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 58.36 2ozw n GLU 51 Cb 0.42 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.50 2ozw n GLU 51 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2ozw s TYR 52 N -2.66 0.45 0.26 4.31 1.13 -1.26 -4.99 117.35 114.59 2ozw s TYR 52 Ca 0.09 -0.34 0.02 0.00 -1.41 0.00 0.00 57.07 55.44 2ozw s TYR 52 Cb 0.07 -0.28 0.34 0.00 -1.10 0.00 0.00 41.96 40.99 2ozw s TYR 52 CO 0.17 -0.07 1.65 0.45 -2.51 0.00 0.00 175.55 175.24 2ozw h HIS 53 N 5.13 0.49 -0.26 -3.49 3.86 -1.93 -2.03 115.15 116.92 2ozw h HIS 53 Ca -0.31 -0.13 0.08 0.00 -1.16 0.00 0.00 60.37 58.84 2ozw h HIS 53 Cb 1.20 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 2ozw h HIS 53 CO 0.56 0.75 0.26 0.00 0.86 0.00 0.00 177.93 180.35 2ozw h ALA 54 N 1.24 1.97 -0.08 2.45 0.00 -1.97 -2.57 119.26 120.30 2ozw h ALA 54 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2ozw h ALA 54 Cb 0.83 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ozw h ALA 54 CO 0.07 -0.39 -0.06 0.22 0.00 0.00 0.00 179.25 179.08 2ozw h ASP 55 N 0.00 0.20 -0.44 0.00 3.58 -1.73 -0.26 116.42 117.76 2ozw h ASP 55 Ca 0.12 -0.45 -0.09 0.00 0.42 0.00 0.00 57.03 57.03 2ozw h ASP 55 Cb 0.64 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2ozw h ASP 55 CO -0.00 0.61 -0.05 0.16 -2.88 0.00 0.00 179.24 177.08 2ozw h ILE 56 N -0.21 1.26 0.03 2.25 3.07 -1.65 -1.12 117.51 121.14 2ozw h ILE 56 Ca 0.02 -1.13 -0.00 0.00 1.55 0.00 0.00 64.86 65.30 2ozw h ILE 56 Cb 0.54 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2ozw h ILE 56 CO 0.02 0.40 -0.01 0.22 -1.05 0.00 0.00 178.15 177.72 2ozw h TYR 57 N 0.80 -0.04 -0.56 0.16 3.20 -1.34 -0.72 116.97 118.47 2ozw h TYR 57 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2ozw h TYR 57 Cb 0.55 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2ozw h TYR 57 CO 0.03 0.09 0.33 0.22 -1.64 0.00 0.00 178.16 177.19 2ozw h ASP 58 N -0.15 0.67 0.26 -2.11 3.58 -0.89 0.17 116.42 117.96 2ozw h ASP 58 Ca -0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2ozw h ASP 58 Cb 0.14 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2ozw h ASP 58 CO 0.01 0.54 -0.25 0.50 -2.88 0.00 0.00 179.24 177.15 2ozw h LYS 59 N 0.75 -0.52 0.08 0.28 1.63 -1.14 -1.82 116.57 115.83 2ozw h LYS 59 Ca 0.20 0.04 -0.30 0.00 -0.85 0.00 0.00 60.65 59.74 2ozw h LYS 59 Cb -0.01 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2ozw h LYS 59 CO -0.04 -0.35 -1.54 0.28 -3.45 0.00 0.00 179.45 174.36 2ozw h VAL 60 N -0.54 1.12 -0.26 2.00 2.07 -0.90 -1.50 116.25 118.25 2ozw h VAL 60 Ca -0.01 -2.82 -0.04 0.00 0.82 0.00 0.00 66.70 64.66 2ozw h VAL 60 Cb 0.50 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2ozw h VAL 60 CO -0.05 0.78 -0.01 0.77 0.02 0.00 0.00 177.57 179.08 2ozw h SER 61 N 0.05 0.35 0.27 0.57 4.64 -0.76 0.78 113.55 119.46 2ozw h SER 61 Ca -0.24 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 2ozw h SER 61 Cb 1.99 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 2ozw h SER 61 CO 0.14 0.42 -0.14 1.23 -0.87 0.00 0.00 176.83 177.61 2ozw h GLY 62 N 0.71 -0.40 0.99 -0.77 0.00 -1.21 -0.84 103.07 101.54 2ozw h GLY 62 Ca 0.08 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2ozw h GLY 62 CO 0.01 -0.15 0.36 -1.80 0.00 0.00 0.00 176.54 174.96 2ozw h ASP 63 N -0.39 0.62 -0.20 0.19 3.58 -0.63 0.82 116.42 120.42 2ozw h ASP 63 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2ozw h ASP 63 Cb 0.30 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2ozw h ASP 63 CO 0.05 0.45 0.13 0.24 -2.88 0.00 0.00 179.24 177.23 2ozw h MET 64 N 0.73 0.27 0.00 0.28 2.86 -0.83 -0.29 114.93 117.95 2ozw h MET 64 Ca 0.20 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2ozw h MET 64 Cb -0.07 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2ozw h MET 64 CO -0.05 0.19 -0.37 1.96 1.06 0.00 0.00 176.91 179.71 2ozw h GLN 65 N 0.26 0.00 -0.42 1.72 4.20 -0.85 0.23 115.11 120.25 2ozw h GLN 65 Ca 0.07 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 2ozw h GLN 65 Cb -0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2ozw h GLN 65 CO -0.01 0.37 -0.18 0.87 -0.67 0.00 0.00 178.83 179.21 2ozw h LYS 66 N 0.00 0.81 -0.00 1.46 1.57 -0.30 -2.13 116.57 117.98 2ozw h LYS 66 Ca -0.00 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 2ozw h LYS 66 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2ozw h LYS 66 CO 0.05 0.92 -0.44 1.96 -0.57 0.00 0.00 179.45 181.37 2ozw h GLN 67 N 0.71 0.00 0.00 3.15 4.20 -0.19 -3.47 115.11 119.51 2ozw h GLN 67 Ca 0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2ozw h GLN 67 Cb 0.68 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2ozw h GLN 67 CO 0.05 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 179.06 2ozw n GLY 68 N -0.26 1.58 3.60 3.46 0.00 0.59 -0.46 105.19 113.70 2ozw n GLY 68 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2ozw n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozw s ASP 70 N -1.50 4.62 0.14 0.00 2.15 -1.08 -2.95 116.67 118.05 2ozw s ASP 70 Ca 0.74 -0.05 -0.04 0.00 0.43 0.00 0.00 52.55 53.62 2ozw s ASP 70 Cb -0.37 -1.14 -0.03 0.00 -0.30 0.00 0.00 42.92 41.09 2ozw s ASP 70 CO 0.50 0.35 0.15 0.00 -0.17 0.00 0.00 175.17 175.99 2ozw s GLU 72 N -4.01 0.36 -0.10 0.00 2.12 -0.65 -5.00 118.70 111.43 2ozw s GLU 72 Ca 0.20 0.84 -0.29 0.00 0.36 0.00 0.00 54.97 56.08 2ozw s GLU 72 Cb 0.06 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 2ozw s GLU 72 CO 0.00 -0.19 1.48 0.00 -0.54 0.00 0.00 175.26 176.02 2ozw h LEU 74 N 9.96 0.00 0.00 0.00 3.38 -1.17 -3.48 115.31 124.00 2ozw h LEU 74 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2ozw h LEU 74 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2ozw h LEU 74 CO 0.96 0.17 0.00 0.61 0.09 0.00 0.00 178.44 180.27 2ozw n GLY 75 N 0.13 -1.28 3.34 0.83 0.00 -1.24 -4.47 105.19 102.50 2ozw n GLY 75 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 2ozw n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ozw s GLY 76 N 0.00 2.11 0.00 -0.02 0.00 -0.52 -2.32 107.32 106.58 2ozw s GLY 76 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2ozw s GLY 76 CO 0.00 -1.59 0.00 0.61 0.00 0.00 0.00 173.10 172.12 2ozw n GLY 77 N -0.60 0.57 3.17 0.20 0.00 -0.75 -2.57 105.19 105.21 2ozw n GLY 77 Ca 0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2ozw n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ozw s ARG 78 N -1.45 0.90 -0.10 1.61 1.70 0.63 -0.73 118.95 121.50 2ozw s ARG 78 Ca 0.00 -1.40 0.02 0.00 -0.47 0.00 0.00 55.73 53.88 2ozw s ARG 78 Cb 0.00 0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.39 2ozw s ARG 78 CO 0.00 -0.15 -0.18 0.42 -1.08 0.00 0.00 175.30 174.31 2ozw s ILE 79 N -3.84 2.60 0.46 4.99 1.01 -0.57 -1.91 121.20 123.94 2ozw s ILE 79 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2ozw s ILE 79 Cb 0.07 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2ozw s ILE 79 CO -0.01 0.55 0.00 -1.20 0.00 0.00 0.00 174.94 174.28 2ozw n SER 80 N 3.35 -7.39 -3.56 3.58 7.64 0.37 -3.61 113.62 113.99 2ozw n SER 80 Ca -0.18 1.01 -0.13 0.00 1.01 0.00 0.00 58.87 60.58 2ozw n SER 80 Cb 0.53 -4.39 -0.05 0.00 -1.01 0.00 0.00 64.21 59.29 2ozw n SER 80 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2ozw s HIS 81 N -3.59 -0.40 0.52 1.43 2.46 -1.26 -4.69 115.29 109.75 2ozw s HIS 81 Ca 0.00 0.33 0.20 0.00 0.47 0.00 0.00 55.06 56.06 2ozw s HIS 81 Cb 0.00 0.36 1.30 0.00 -0.13 0.00 0.00 32.58 34.12 2ozw s HIS 81 CO 0.00 -0.69 2.08 1.96 -2.47 0.00 0.00 174.74 175.62 2ozw h GLN 82 N 2.56 0.03 0.00 2.88 4.20 -1.98 -0.25 115.11 122.55 2ozw h GLN 82 Ca -0.32 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2ozw h GLN 82 Cb 1.24 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2ozw h GLN 82 CO 0.42 0.02 0.00 0.77 -0.67 0.00 0.00 178.83 179.37 2ozw h SER 83 N 0.03 0.00 0.00 1.46 0.02 -2.01 -3.28 113.55 109.77 2ozw h SER 83 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2ozw h SER 83 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2ozw h SER 83 CO -0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 2ozw n GLN 84 N -2.77 0.13 -0.23 3.45 1.13 -0.41 -4.96 117.38 113.71 2ozw n GLN 84 Ca -0.01 -0.04 0.31 0.00 -1.94 0.00 0.00 57.00 55.32 2ozw n GLN 84 Cb 0.12 -0.42 0.62 0.00 0.11 0.00 0.00 30.24 30.67 2ozw n GLN 84 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2ozw h ASP 85 N 0.00 0.00 0.00 1.08 3.58 -1.17 -0.78 116.42 119.14 2ozw h ASP 85 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ozw h ASP 85 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2ozw h ASP 85 CO 0.00 0.00 0.17 0.07 -2.88 0.00 0.00 179.24 176.60 2ozw h LYS 86 N 0.00 0.00 -3.73 0.28 2.10 -1.88 -3.40 116.57 109.94 2ozw h LYS 86 Ca 0.50 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.94 2ozw h LYS 86 Cb 2.51 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 33.58 2ozw h LYS 86 CO -0.01 0.00 -0.68 0.21 -2.00 0.00 0.00 179.45 176.98 2ozw s LYS 87 N -3.81 0.13 0.50 0.07 2.20 -0.30 -4.99 119.74 113.55 2ozw s LYS 87 Ca -0.03 -0.15 -0.22 0.00 -0.36 0.00 0.00 55.97 55.21 2ozw s LYS 87 Cb 0.08 0.05 -0.06 0.00 -1.51 0.00 0.00 37.83 36.39 2ozw s LYS 87 CO 0.25 -0.02 1.18 0.42 -0.36 0.00 0.00 175.35 176.82 2ozw s ILE 88 N -0.45 2.95 0.10 5.43 1.09 -0.92 -4.88 121.20 124.51 2ozw s ILE 88 Ca -0.05 0.67 0.02 0.00 -1.10 0.00 0.00 60.65 60.19 2ozw s ILE 88 Cb -0.03 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 2ozw s ILE 88 CO -0.00 -0.05 -0.07 -2.28 -0.10 0.00 0.00 174.94 172.44 2ozw s HIS 89 N -1.57 0.90 -0.02 3.97 2.46 -1.26 -1.52 115.29 118.24 2ozw s HIS 89 Ca 0.68 -0.87 -0.01 0.00 0.47 0.00 0.00 55.06 55.33 2ozw s HIS 89 Cb -0.29 -0.52 0.02 0.00 -0.13 0.00 0.00 32.58 31.66 2ozw s HIS 89 CO 0.34 -0.13 0.05 0.08 -2.47 0.00 0.00 174.74 172.61 2ozw s VAL 90 N -3.42 -0.02 0.10 0.89 1.01 -0.37 -0.48 120.40 118.10 2ozw s VAL 90 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 2ozw s VAL 90 Cb 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.36 2ozw s VAL 90 CO -0.04 0.04 0.42 0.00 0.00 0.00 0.00 175.10 175.52 2ozw n TYR 91 N 3.55 -1.10 -2.22 5.22 4.11 -0.80 -2.79 117.16 123.14 2ozw n TYR 91 Ca -0.19 -0.62 0.00 0.00 -0.00 0.00 0.00 57.90 57.09 2ozw n TYR 91 Cb 0.56 0.30 0.00 0.00 -0.00 0.00 0.00 39.34 40.20 2ozw n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ozw n GLY 92 N -0.29 -1.99 3.49 -7.48 0.00 -0.97 -0.27 105.19 97.68 2ozw n GLY 92 Ca -0.02 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 2ozw n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ozw s TYR 93 N -0.05 -0.62 0.47 1.61 -0.85 -1.25 -4.54 117.35 112.12 2ozw s TYR 93 Ca 0.00 0.90 -0.14 0.00 -0.52 0.00 0.00 57.07 57.31 2ozw s TYR 93 Cb 0.00 0.45 -0.07 0.00 0.38 0.00 0.00 41.96 42.72 2ozw s TYR 93 CO 0.00 -0.68 0.89 0.45 -1.52 0.00 0.00 175.55 174.69 2ozw s SER 94 N -1.64 6.56 0.00 -0.18 0.15 -0.63 -4.62 113.70 113.35 2ozw s SER 94 Ca -0.08 1.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.82 2ozw s SER 94 Cb -0.00 -2.42 -0.33 0.00 -1.71 0.00 0.00 66.02 61.55 2ozw s SER 94 CO 0.03 -0.51 0.88 0.00 1.20 0.00 0.00 173.24 174.84 2ozw h MET 95 N 1.03 0.45 0.00 5.44 -0.00 -1.97 -1.92 114.93 117.96 2ozw h MET 95 Ca -0.47 -0.77 -0.11 0.00 -0.00 0.00 0.00 59.70 58.35 2ozw h MET 95 Cb 1.19 0.29 -0.02 0.00 -0.00 0.00 0.00 31.60 33.06 2ozw h MET 95 CO 0.63 1.36 -0.52 0.00 -0.00 0.00 0.00 176.91 178.37 2ozw h ALA 96 N 0.20 0.70 0.00 -3.00 0.00 -2.03 -3.37 119.26 111.76 2ozw h ALA 96 Ca -0.28 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2ozw h ALA 96 Cb 2.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2ozw h ALA 96 CO 0.23 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.79 2ozw n TYR 97 N -3.29 0.00 -2.40 0.00 4.01 -1.26 -5.15 117.16 109.08 2ozw n TYR 97 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2ozw n TYR 97 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.74 2ozw n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ozw n GLY 98 N 0.09 -1.98 3.76 2.72 0.00 -0.72 -4.28 105.19 104.78 2ozw n GLY 98 Ca 0.00 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2ozw n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ozw s PRO 99 N -0.63 4.38 0.91 1.61 0.04 -1.26 -1.43 135.00 138.62 2ozw s PRO 99 Ca 0.00 2.15 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 2ozw s PRO 99 Cb 0.00 -3.11 0.14 0.00 0.04 0.00 0.00 34.50 31.57 2ozw s PRO 99 CO 0.00 -0.19 1.15 0.00 0.04 0.00 0.00 177.00 178.01 2ozw s ALA 100 N -0.77 1.87 -1.32 8.56 0.00 -1.06 -4.53 121.76 124.50 2ozw s ALA 100 Ca 0.51 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 2ozw s ALA 100 Cb -0.39 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2ozw s ALA 100 CO 0.48 -2.28 1.93 1.04 0.00 0.00 0.00 175.76 176.93 2ozw n GLN 101 N -3.75 2.89 0.29 0.00 6.02 -1.26 -4.82 117.38 116.74 2ozw n GLN 101 Ca 0.08 -2.92 0.17 0.00 -0.01 0.00 0.00 57.00 54.32 2ozw n GLN 101 Cb 0.60 -3.41 0.94 0.00 1.02 0.00 0.00 30.24 29.38 2ozw n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ozw h HIS 102 N 7.18 0.00 -0.58 1.08 3.86 -1.97 -0.04 115.15 124.69 2ozw h HIS 102 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2ozw h HIS 102 Cb 0.78 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 2ozw h HIS 102 CO 1.42 0.00 0.37 0.00 0.86 0.00 0.00 177.93 180.58 2ozw h ALA 103 N 1.76 1.57 -0.29 2.45 0.00 -1.98 -1.37 119.26 121.41 2ozw h ALA 103 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2ozw h ALA 103 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ozw h ALA 103 CO 0.00 0.39 0.02 0.82 0.00 0.00 0.00 179.25 180.48 2ozw h ILE 104 N 0.78 1.25 -0.36 0.00 2.04 -1.41 -2.88 117.51 116.93 2ozw h ILE 104 Ca 0.21 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2ozw h ILE 104 Cb -0.08 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2ozw h ILE 104 CO -0.04 0.28 0.20 0.28 0.00 0.00 0.00 178.15 178.87 2ozw h SER 105 N 0.29 0.31 0.32 1.72 0.02 -1.48 -0.72 113.55 114.01 2ozw h SER 105 Ca 0.08 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2ozw h SER 105 Cb 0.39 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ozw h SER 105 CO 0.01 0.22 -0.16 0.71 -1.14 0.00 0.00 176.83 176.48 2ozw h THR 106 N 0.40 0.69 -0.81 -2.27 1.35 -1.27 -0.21 112.91 110.79 2ozw h THR 106 Ca 0.15 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.94 2ozw h THR 106 Cb 0.03 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 2ozw h THR 106 CO -0.09 0.01 0.43 -0.33 -0.25 0.00 0.00 175.52 175.29 2ozw h GLU 107 N -0.46 1.14 -0.11 4.72 4.39 -1.31 0.55 114.58 123.50 2ozw h GLU 107 Ca -0.04 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2ozw h GLU 107 Cb 0.35 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2ozw h GLU 107 CO 0.07 0.85 -0.01 0.87 -1.16 0.00 0.00 179.01 179.64 2ozw h LYS 108 N 1.13 0.20 -0.45 2.33 1.57 -1.01 -1.02 116.57 119.32 2ozw h LYS 108 Ca 0.28 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2ozw h LYS 108 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2ozw h LYS 108 CO -0.04 0.46 -0.09 0.82 -0.57 0.00 0.00 179.45 180.03 2ozw h ILE 109 N -0.08 1.26 -0.54 1.86 2.04 -0.77 -0.21 117.51 121.06 2ozw h ILE 109 Ca 0.03 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2ozw h ILE 109 Cb 0.38 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2ozw h ILE 109 CO 0.01 0.40 0.29 0.11 0.00 0.00 0.00 178.15 178.96 2ozw h LYS 110 N 0.73 0.76 -0.67 2.37 1.57 -0.83 -0.16 116.57 120.34 2ozw h LYS 110 Ca 0.13 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2ozw h LYS 110 Cb 0.58 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2ozw h LYS 110 CO 0.04 0.59 0.23 0.00 -0.57 0.00 0.00 179.45 179.74 2ozw h ALA 111 N 1.12 1.13 -0.54 3.86 0.00 -0.73 -2.23 119.26 121.88 2ozw h ALA 111 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2ozw h ALA 111 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ozw h ALA 111 CO -0.03 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.60 2ozw h LYS 112 N 0.98 0.93 -2.07 0.00 1.63 -0.60 -3.38 116.57 114.07 2ozw h LYS 112 Ca 0.22 -0.28 -0.57 0.00 -0.85 0.00 0.00 60.65 59.17 2ozw h LYS 112 Cb 0.25 -0.09 -0.40 0.00 -0.60 0.00 0.00 32.23 31.39 2ozw h LYS 112 CO -0.01 0.93 -0.94 0.66 -3.45 0.00 0.00 179.45 176.64 2ozw n TYR 113 N -4.19 1.08 0.43 1.91 4.01 -0.11 -4.97 117.16 115.31 2ozw n TYR 113 Ca 0.03 -3.78 0.09 0.00 -0.16 0.00 0.00 57.90 54.08 2ozw n TYR 113 Cb 0.33 -0.42 0.40 0.00 -0.31 0.00 0.00 39.34 39.34 2ozw n TYR 113 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2ozw n PRO 114 N 1.12 0.10 0.00 -0.72 -0.04 -0.87 -1.62 135.00 132.97 2ozw n PRO 114 Ca 0.24 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 2ozw n PRO 114 Cb 0.49 -1.70 0.35 0.00 -0.04 0.00 0.00 33.50 32.61 2ozw n PRO 114 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ozw n ASP 115 N -1.90 0.00 -3.62 3.54 2.03 -1.26 -4.81 116.55 110.53 2ozw n ASP 115 Ca 0.03 0.31 -0.23 0.00 0.52 0.00 0.00 54.79 55.41 2ozw n ASP 115 Cb 0.19 -0.40 -0.07 0.00 -0.72 0.00 0.00 41.12 40.12 2ozw n ASP 115 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2ozw n TYR 116 N -1.40 0.07 -4.03 -0.67 4.01 -0.64 -5.18 117.16 109.31 2ozw n TYR 116 Ca 0.05 -2.40 -0.08 0.00 -0.16 0.00 0.00 57.90 55.32 2ozw n TYR 116 Cb 0.15 0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 2ozw n TYR 116 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2ozw s GLU 117 N -3.41 0.61 0.00 -0.72 2.12 -1.26 -4.92 118.70 111.13 2ozw s GLU 117 Ca 0.20 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.46 2ozw s GLU 117 Cb 0.01 0.22 -0.00 0.00 0.26 0.00 0.00 34.13 34.62 2ozw s GLU 117 CO 0.14 -0.13 -0.01 0.08 -0.54 0.00 0.00 175.26 174.80 2ozw s VAL 118 N -3.54 0.05 0.31 3.70 1.01 -1.26 -2.17 120.40 118.50 2ozw s VAL 118 Ca 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2ozw s VAL 118 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.30 2ozw s VAL 118 CO -0.09 -0.06 0.10 0.42 0.00 0.00 0.00 175.10 175.47 2ozw s THR 119 N -0.22 0.67 0.03 3.92 -4.23 -0.58 -4.91 115.64 110.32 2ozw s THR 119 Ca -0.02 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 2ozw s THR 119 Cb -0.02 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 2ozw s THR 119 CO -0.00 0.00 0.12 -1.66 -0.54 0.00 0.00 174.62 172.54 2ozw s TRP 120 N -3.54 0.13 -0.27 3.99 1.48 -1.26 -1.24 118.94 118.23 2ozw s TRP 120 Ca 0.35 -0.35 -0.08 0.00 -1.06 0.00 0.00 56.10 54.96 2ozw s TRP 120 Cb 0.07 -0.10 0.13 0.00 -1.16 0.00 0.00 33.47 32.41 2ozw s TRP 120 CO 0.15 -0.34 0.57 0.00 -4.06 0.00 0.00 176.95 173.27 2ozw s ALA 121 N -2.16 -1.79 -1.75 2.67 0.00 -1.12 -4.96 121.76 112.64 2ozw s ALA 121 Ca -0.09 2.00 0.23 0.00 0.00 0.00 0.00 51.96 54.11 2ozw s ALA 121 Cb -0.04 -1.70 1.28 0.00 0.00 0.00 0.00 23.12 22.67 2ozw s ALA 121 CO -0.02 -0.94 1.75 -1.71 0.00 0.00 0.00 175.76 174.83 2ozw n ASN 122 N 5.43 0.00 0.08 0.00 5.15 -1.26 -3.61 115.26 121.05 2ozw n ASN 122 Ca -0.09 -0.43 0.03 0.00 -0.60 0.00 0.00 54.58 53.48 2ozw n ASN 122 Cb 0.49 -0.12 0.40 0.00 -0.53 0.00 0.00 39.78 40.02 2ozw n ASN 122 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2ozw h ASP 123 N 0.00 0.31 -4.27 1.20 3.58 -1.95 -3.38 116.42 111.92 2ozw h ASP 123 Ca 0.00 -0.05 -0.51 0.00 0.42 0.00 0.00 57.03 56.89 2ozw h ASP 123 Cb 0.09 -0.08 0.12 0.00 1.72 0.00 0.00 39.33 41.18 2ozw h ASP 123 CO 0.00 0.38 0.34 -0.83 -2.88 0.00 0.00 179.24 176.25 2ozw s GLY 124 N -3.93 1.87 0.00 -0.78 0.00 -1.24 -4.96 107.32 98.28 2ozw s GLY 124 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2ozw s GLY 124 CO 0.73 0.75 0.00 1.58 0.00 0.00 0.00 173.10 176.16