#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi n PRO 10 N 0.00 1.38 -0.32 1.97 -0.02 -1.26 -2.51 135.00 134.24 1ozi n PRO 10 Ca 0.00 -1.51 -0.01 0.00 -2.02 0.00 0.00 63.50 59.96 1ozi n PRO 10 Cb 0.00 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 30.83 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozi n GLY 11 N 4.29 -0.05 3.82 -1.23 0.00 -1.07 -4.40 105.19 106.55 1ozi n GLY 11 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 1ozi n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozi s ASP 12 N -0.08 6.99 -0.29 1.61 2.15 -1.05 -4.61 116.67 121.40 1ozi s ASP 12 Ca 0.00 1.18 -0.11 0.00 0.43 0.00 0.00 52.55 54.05 1ozi s ASP 12 Cb 0.00 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.25 1ozi s ASP 12 CO 0.00 0.28 0.18 0.42 -0.17 0.00 0.00 175.17 175.88 1ozi s THR 13 N -1.06 5.18 -0.07 1.71 -4.23 -1.26 -0.60 115.64 115.31 1ozi s THR 13 Ca 0.28 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.70 1ozi s THR 13 Cb -0.19 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1ozi s THR 13 CO 0.17 0.22 0.37 0.72 -0.54 0.00 0.00 174.62 175.56 1ozi s PHE 14 N 1.73 -0.31 -0.79 3.99 -0.71 -0.31 -4.97 117.98 116.60 1ozi s PHE 14 Ca 0.07 0.64 -0.26 0.00 -1.04 0.00 0.00 56.93 56.34 1ozi s PHE 14 Cb -0.16 0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1ozi s PHE 14 CO 0.10 -0.33 1.46 -1.21 -1.34 0.00 0.00 175.22 173.90 1ozi s GLU 15 N -0.68 3.14 0.25 1.99 2.02 -1.25 -1.18 118.70 122.99 1ozi s GLU 15 Ca -0.08 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 1ozi s GLU 15 Cb -0.04 -4.54 -0.09 0.00 0.10 0.00 0.00 34.13 29.56 1ozi s GLU 15 CO 0.03 -2.35 1.09 0.54 0.02 0.00 0.00 175.26 174.59 1ozi s VAL 16 N 6.42 3.63 -0.31 2.63 0.11 0.15 -4.77 120.40 128.26 1ozi s VAL 16 Ca 0.45 1.57 -0.08 0.00 -2.93 0.00 0.00 61.98 61.00 1ozi s VAL 16 Cb -0.07 -4.00 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 1ozi s VAL 16 CO 0.09 0.35 0.11 -0.70 -3.33 0.00 0.00 175.10 171.62 1ozi s GLU 17 N -1.15 3.12 -0.17 1.54 2.12 -1.26 -0.97 118.70 121.93 1ozi s GLU 17 Ca 0.45 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 1ozi s GLU 17 Cb -0.31 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.63 1ozi s GLU 17 CO 0.39 -0.46 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.35 1ozi s LEU 18 N 1.53 2.58 -0.39 2.70 1.98 0.24 -4.95 118.68 122.37 1ozi s LEU 18 Ca 0.03 -0.45 -0.15 0.00 -2.89 0.00 0.00 54.13 50.67 1ozi s LEU 18 Cb -0.17 -1.60 0.01 0.00 0.66 0.00 0.00 46.19 45.08 1ozi s LEU 18 CO 0.04 0.06 0.30 0.00 -1.89 0.00 0.00 176.35 174.85 1ozi s ALA 19 N 0.97 3.48 0.73 5.97 0.00 -1.26 -0.72 121.76 130.94 1ozi s ALA 19 Ca -0.02 -1.60 -0.16 0.00 0.00 0.00 0.00 51.96 50.19 1ozi s ALA 19 Cb -0.15 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1ozi s ALA 19 CO -0.02 -1.33 1.15 1.63 0.00 0.00 0.00 175.76 177.19 1ozi n LYS 20 N 5.19 0.58 -0.34 0.00 5.02 0.48 -4.65 118.16 124.44 1ozi n LYS 20 Ca -0.11 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1ozi n LYS 20 Cb 0.48 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1ozi n LYS 20 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1ozi n THR 21 N -2.60 0.00 1.96 -0.18 5.66 -1.14 -4.94 114.28 113.04 1ozi n THR 21 Ca 0.14 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.23 1ozi n THR 21 Cb 0.49 -1.30 0.50 0.00 -1.55 0.00 0.00 70.33 68.47 1ozi n THR 21 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ozi n ASP 22 N -1.46 0.08 -3.00 1.09 5.75 -1.26 -3.76 116.55 113.99 1ozi n ASP 22 Ca 0.00 -1.48 -0.15 0.00 -0.01 0.00 0.00 54.79 53.15 1ozi n ASP 22 Cb 0.00 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ozi n GLY 23 N 0.78 2.84 2.61 6.12 0.00 -1.26 -5.14 105.19 111.15 1ozi n GLY 23 Ca 0.13 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.64 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ozi n SER 24 N 0.16 -1.99 0.21 1.61 3.41 -1.25 -4.39 113.62 111.39 1ozi n SER 24 Ca 0.19 0.27 0.15 0.00 -0.26 0.00 0.00 58.87 59.22 1ozi n SER 24 Cb 0.72 -0.75 0.70 0.00 -0.26 0.00 0.00 64.21 64.62 1ozi n SER 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ozi h LEU 25 N 0.00 0.00 0.15 1.04 3.38 -1.93 -3.02 115.31 114.92 1ozi h LEU 25 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ozi h LEU 25 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ozi h LEU 25 CO 0.00 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.11 1ozi n GLY 26 N -0.51 0.41 2.78 0.83 0.00 -1.26 -1.94 105.19 105.50 1ozi n GLY 26 Ca -0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1ozi n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ozi s ILE 27 N -2.07 0.27 -0.27 -0.61 -4.36 -1.26 0.50 121.20 113.40 1ozi s ILE 27 Ca 0.00 0.14 -0.11 0.00 -0.26 0.00 0.00 60.65 60.42 1ozi s ILE 27 Cb 0.00 -0.41 -0.05 0.00 1.25 0.00 0.00 42.46 43.25 1ozi s ILE 27 CO 0.00 0.22 0.18 -0.44 0.24 0.00 0.00 174.94 175.13 1ozi s SER 28 N 1.68 5.99 0.15 4.36 0.01 -0.15 -4.99 113.70 120.76 1ozi s SER 28 Ca -0.00 0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.35 1ozi s SER 28 Cb -0.13 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1ozi s SER 28 CO -0.03 -0.02 -0.12 0.68 0.41 0.00 0.00 173.24 174.15 1ozi s VAL 29 N 1.59 3.12 0.13 3.43 -7.23 -1.26 0.23 120.40 120.41 1ozi s VAL 29 Ca 0.07 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 1ozi s VAL 29 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1ozi s VAL 29 CO 0.09 -0.03 -0.14 0.28 -0.31 0.00 0.00 175.10 174.99 1ozi s THR 30 N -1.51 1.35 -0.16 5.32 -1.32 0.82 -4.79 115.64 115.34 1ozi s THR 30 Ca 0.23 -1.80 -0.14 0.00 -1.21 0.00 0.00 61.69 58.77 1ozi s THR 30 Cb -0.09 -1.61 -0.05 0.00 -1.51 0.00 0.00 72.50 69.24 1ozi s THR 30 CO 0.14 -0.47 0.30 -0.69 -2.21 0.00 0.00 174.62 171.69 1ozi s VAL 31 N -2.34 5.30 -0.80 5.08 1.01 -1.26 0.73 120.40 128.13 1ozi s VAL 31 Ca 0.11 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 1ozi s VAL 31 Cb -0.04 -3.64 0.21 0.00 0.00 0.00 0.00 36.38 32.91 1ozi s VAL 31 CO 0.03 0.38 0.70 -0.76 0.00 0.00 0.00 175.10 175.45 1ozi s LEU 32 N 0.53 6.11 -0.36 3.92 1.43 -0.37 -4.86 118.68 125.08 1ozi s LEU 32 Ca 0.17 -2.94 0.03 0.00 -1.03 0.00 0.00 54.13 50.36 1ozi s LEU 32 Cb -0.13 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.18 1ozi s LEU 32 CO 0.04 -0.44 0.39 -0.36 0.23 0.00 0.00 176.35 176.22 1ozi s PHE 33 N -0.21 -0.49 -0.87 0.29 0.08 -1.26 -4.38 117.98 111.14 1ozi s PHE 33 Ca 0.20 -0.59 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 1ozi s PHE 33 Cb -0.13 -0.33 0.23 0.00 -0.57 0.00 0.00 43.02 42.21 1ozi s PHE 33 CO -0.07 -0.98 0.81 0.16 -0.10 0.00 0.00 175.22 175.03 1ozi s ASP 34 N 1.64 6.77 -0.40 1.36 -4.77 -1.26 -5.00 116.67 115.01 1ozi s ASP 34 Ca 0.16 -2.88 -0.28 0.00 -3.30 0.00 0.00 52.55 46.24 1ozi s ASP 34 Cb -0.14 -2.19 -0.00 0.00 -1.09 0.00 0.00 42.92 39.50 1ozi s ASP 34 CO -0.08 -0.50 1.60 -0.75 0.70 0.00 0.00 175.17 176.13 1ozi s LYS 35 N -0.13 3.40 0.00 2.11 2.20 -1.26 -1.64 119.74 124.42 1ozi s LYS 35 Ca 0.20 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1ozi s LYS 35 Cb -0.10 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 1ozi s LYS 35 CO -0.09 -1.78 0.00 0.41 -0.36 0.00 0.00 175.35 173.54 1ozi n GLY 36 N 5.27 1.49 0.00 5.54 0.00 -1.26 -5.01 105.19 111.22 1ozi n GLY 36 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ozi n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 37 N 0.00 0.88 2.60 -0.02 0.00 -0.65 -4.91 105.19 103.08 1ozi n GLY 37 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1ozi n GLY 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ozi n VAL 38 N 0.00 4.18 -1.29 1.61 0.31 -1.18 -4.49 118.33 117.46 1ozi n VAL 38 Ca 0.00 -3.96 -0.10 0.00 -0.01 0.00 0.00 64.34 60.27 1ozi n VAL 38 Cb 0.00 -1.62 0.21 0.00 -0.91 0.00 0.00 33.84 31.52 1ozi n VAL 38 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ozi n ASN 39 N 0.65 3.30 -0.03 4.52 6.94 -1.23 -4.37 115.26 125.03 1ozi n ASN 39 Ca 0.53 -3.60 -0.16 0.00 -0.02 0.00 0.00 54.58 51.33 1ozi n ASN 39 Cb 0.38 -0.71 -0.08 0.00 -2.36 0.00 0.00 39.78 37.01 1ozi n ASN 39 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1ozi h THR 40 N 1.27 1.34 -3.41 5.53 2.02 -1.92 -3.40 112.91 114.32 1ozi h THR 40 Ca 0.35 -1.83 -0.63 0.00 0.77 0.00 0.00 66.41 65.06 1ozi h THR 40 Cb 2.14 2.08 -0.20 0.00 -1.74 0.00 0.00 68.15 70.43 1ozi h THR 40 CO 0.67 0.56 -0.62 -0.44 0.37 0.00 0.00 175.52 176.06 1ozi s SER 41 N -6.79 5.16 -0.02 4.18 0.01 -1.26 -4.93 113.70 110.05 1ozi s SER 41 Ca -0.12 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1ozi s SER 41 Cb 0.07 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.45 1ozi s SER 41 CO 0.85 0.10 0.84 0.52 0.41 0.00 0.00 173.24 175.96 1ozi n VAL 42 N 4.02 0.61 -4.45 3.43 0.31 -1.26 -5.03 118.33 115.96 1ozi n VAL 42 Ca -0.17 -0.66 -0.23 0.00 -0.01 0.00 0.00 64.34 63.27 1ozi n VAL 42 Cb 0.52 0.57 -0.10 0.00 -0.91 0.00 0.00 33.84 33.92 1ozi n VAL 42 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ozi s ARG 43 N -0.75 1.60 -0.30 5.55 0.52 -1.26 -4.72 118.95 119.58 1ozi s ARG 43 Ca 0.05 -1.76 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 1ozi s ARG 43 Cb 0.04 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 34.01 1ozi s ARG 43 CO 0.00 0.21 0.00 0.72 0.02 0.00 0.00 175.30 176.26 1ozi n HIS 44 N -0.58 0.00 -2.28 -0.53 8.25 -1.26 -4.93 115.22 113.88 1ozi n HIS 44 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1ozi n HIS 44 Cb 0.61 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.72 1ozi n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ozi n GLY 45 N -1.86 5.10 0.00 -1.41 0.00 -1.26 -5.02 105.19 100.73 1ozi n GLY 45 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1ozi n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 46 N 0.00 0.04 3.87 -0.02 0.00 -1.26 -4.60 105.19 103.22 1ozi n GLY 46 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N 0.00 5.23 -0.20 -0.61 -1.09 -0.27 -1.24 121.20 123.01 1ozi s ILE 47 Ca 0.00 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1ozi s ILE 47 Cb 0.00 -3.44 0.06 0.00 -1.58 0.00 0.00 42.46 37.50 1ozi s ILE 47 CO 0.00 0.31 0.01 -0.47 -1.23 0.00 0.00 174.94 173.56 1ozi s TYR 48 N -1.31 1.45 -0.26 3.97 6.14 0.22 0.86 117.35 128.43 1ozi s TYR 48 Ca 0.27 -1.13 -0.35 0.00 0.64 0.00 0.00 57.07 56.50 1ozi s TYR 48 Cb -0.12 -1.20 -0.12 0.00 0.42 0.00 0.00 41.96 40.94 1ozi s TYR 48 CO 0.18 -0.66 2.04 0.28 0.64 0.00 0.00 175.55 178.04 1ozi n VAL 49 N 4.93 0.32 -0.06 3.14 0.31 -0.65 -0.13 118.33 126.20 1ozi n VAL 49 Ca -0.10 -0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 1ozi n VAL 49 Cb 0.46 -1.71 -0.14 0.00 -0.91 0.00 0.00 33.84 31.53 1ozi n VAL 49 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ozi n LYS 50 N 7.41 0.67 -3.76 5.55 4.81 0.14 -0.12 118.16 132.86 1ozi n LYS 50 Ca 0.33 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.82 1ozi n LYS 50 Cb 0.25 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.54 1ozi n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ozi s ALA 51 N -2.55 -0.79 -0.21 3.14 0.00 -0.48 -4.78 121.76 116.09 1ozi s ALA 51 Ca -0.13 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 1ozi s ALA 51 Cb 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1ozi s ALA 51 CO 0.79 -0.19 0.07 0.42 0.00 0.00 0.00 175.76 176.85 1ozi s ILE 52 N -0.29 4.57 -0.15 0.00 -1.09 -1.26 -0.97 121.20 122.00 1ozi s ILE 52 Ca -0.04 -0.10 -0.09 0.00 -2.23 0.00 0.00 60.65 58.19 1ozi s ILE 52 Cb -0.03 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 1ozi s ILE 52 CO 0.02 0.40 0.16 -0.63 -1.23 0.00 0.00 174.94 173.65 1ozi s ILE 53 N 0.97 5.44 0.00 2.92 -1.09 0.18 -4.99 121.20 124.63 1ozi s ILE 53 Ca 0.04 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 1ozi s ILE 53 Cb -0.14 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1ozi s ILE 53 CO 0.03 0.53 0.00 -0.81 -1.23 0.00 0.00 174.94 173.46 1ozi n PRO 54 N 2.71 1.62 0.00 2.79 -0.04 -1.26 -4.05 135.00 136.77 1ozi n PRO 54 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ozi n PRO 54 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ozi n LYS 55 N 0.00 0.00 0.00 0.54 3.00 -1.26 -4.27 118.16 116.17 1ozi n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ozi n LYS 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 56 N 0.00 0.00 0.00 3.14 0.00 -1.26 -4.97 105.19 102.10 1ozi n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ozi n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 57 N 0.00 0.00 -0.07 4.61 0.00 -1.26 -3.80 120.51 120.00 1ozi n ALA 57 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ozi n ALA 57 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1ozi n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozi h ALA 58 N 1.00 1.38 0.00 0.00 0.00 -1.61 0.32 119.26 120.35 1ozi h ALA 58 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1ozi h ALA 58 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1ozi h ALA 58 CO 0.00 0.45 -1.15 1.49 0.00 0.00 0.00 179.25 180.04 1ozi h GLU 59 N 0.66 0.00 0.08 0.00 4.81 -1.83 -0.79 114.58 117.51 1ozi h GLU 59 Ca 0.15 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1ozi h GLU 59 Cb 0.21 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ozi h GLU 59 CO -0.01 0.43 -0.54 1.03 -0.73 0.00 0.00 179.01 179.19 1ozi h SER 60 N 0.00 0.33 0.49 1.04 0.87 -1.71 -3.21 113.55 111.36 1ozi h SER 60 Ca -0.12 -0.93 -0.13 0.00 -1.23 0.00 0.00 61.79 59.38 1ozi h SER 60 Cb 1.58 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 1ozi h SER 60 CO 0.06 1.24 -0.58 -0.78 -0.53 0.00 0.00 176.83 176.24 1ozi h ASP 61 N -0.52 0.10 -1.40 6.23 3.58 -0.52 -3.48 116.42 120.41 1ozi h ASP 61 Ca -0.09 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1ozi h ASP 61 Cb 1.40 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1ozi h ASP 61 CO 0.10 0.66 0.00 0.61 -2.88 0.00 0.00 179.24 177.73 1ozi n GLY 62 N 0.16 0.73 0.50 -0.78 0.00 -0.38 -5.01 105.19 100.42 1ozi n GLY 62 Ca -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N -0.70 0.22 -2.35 1.61 1.74 -0.75 -5.02 116.66 111.41 1ozi n ARG 63 Ca 0.00 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 1ozi n ARG 63 Cb 0.49 -0.84 -0.03 0.00 -1.02 0.00 0.00 32.46 31.05 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ozi s ILE 64 N -2.15 3.38 0.13 0.55 -1.09 -1.24 -5.03 121.20 115.75 1ozi s ILE 64 Ca -0.12 1.26 0.10 0.00 -2.23 0.00 0.00 60.65 59.66 1ozi s ILE 64 Cb 0.02 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1ozi s ILE 64 CO 0.18 0.25 -0.24 -1.00 -1.23 0.00 0.00 174.94 172.90 1ozi s HIS 65 N -0.57 2.07 0.17 3.97 3.76 -1.26 -4.67 115.29 118.76 1ozi s HIS 65 Ca 0.50 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.71 1ozi s HIS 65 Cb -0.34 -1.10 -0.08 0.00 1.11 0.00 0.00 32.58 32.17 1ozi s HIS 65 CO 0.41 0.31 1.25 -1.59 -0.85 0.00 0.00 174.74 174.27 1ozi s LYS 66 N -2.16 4.44 0.00 1.40 0.00 -1.26 -2.00 119.74 120.16 1ozi s LYS 66 Ca 0.12 1.94 0.00 0.00 0.00 0.00 0.00 55.97 58.03 1ozi s LYS 66 Cb -0.09 -3.24 0.00 0.00 0.00 0.00 0.00 37.83 34.50 1ozi s LYS 66 CO 0.06 -0.19 0.00 0.41 0.00 0.00 0.00 175.35 175.63 1ozi n GLY 67 N 2.45 2.49 3.72 0.59 0.00 0.83 -4.79 105.19 110.49 1ozi n GLY 67 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1ozi n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 68 N -1.64 6.70 -0.02 1.61 1.01 -0.84 -3.94 116.67 119.54 1ozi s ASP 68 Ca 0.00 2.52 -0.15 0.00 0.71 0.00 0.00 52.55 55.62 1ozi s ASP 68 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1ozi s ASP 68 CO 0.00 -0.73 0.42 -0.13 0.21 0.00 0.00 175.17 174.94 1ozi s ARG 69 N 0.76 4.00 -0.39 8.23 0.52 -0.44 -1.63 118.95 130.01 1ozi s ARG 69 Ca 0.65 0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 56.13 1ozi s ARG 69 Cb -0.41 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 31.81 1ozi s ARG 69 CO 0.34 0.59 0.29 0.08 0.02 0.00 0.00 175.30 176.62 1ozi s VAL 70 N -0.76 5.26 -0.15 3.52 1.01 0.25 -0.87 120.40 128.66 1ozi s VAL 70 Ca 0.24 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.82 1ozi s VAL 70 Cb -0.16 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 1ozi s VAL 70 CO 0.13 -0.22 0.26 0.18 0.00 0.00 0.00 175.10 175.45 1ozi n LEU 71 N 5.17 1.31 -3.83 3.92 4.77 0.16 -1.11 117.00 127.40 1ozi n LEU 71 Ca -0.11 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 1ozi n LEU 71 Cb 0.48 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1ozi n LEU 71 CO 0.40 0.61 0.60 0.00 -1.33 0.00 0.00 177.39 177.67 1ozi s ALA 72 N -2.54 -1.11 -0.22 -1.18 0.00 -0.26 -1.12 121.76 115.32 1ozi s ALA 72 Ca -0.15 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1ozi s ALA 72 Cb 0.07 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.96 1ozi s ALA 72 CO 0.78 -1.02 -0.09 0.54 0.00 0.00 0.00 175.76 175.97 1ozi s VAL 73 N -2.66 1.70 -0.96 0.00 0.11 0.84 0.43 120.40 119.86 1ozi s VAL 73 Ca 0.16 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1ozi s VAL 73 Cb -0.04 -1.84 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1ozi s VAL 73 CO 0.08 0.05 0.00 -0.46 -3.33 0.00 0.00 175.10 171.44 1ozi n ASN 74 N 4.64 -3.56 0.00 3.54 0.23 0.11 0.44 115.26 120.66 1ozi n ASN 74 Ca -0.14 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1ozi n ASN 74 Cb 0.45 -3.06 0.00 0.00 -2.08 0.00 0.00 39.78 35.09 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ozi n GLY 75 N -0.74 2.93 3.59 4.83 0.00 -1.26 -5.03 105.19 109.52 1ozi n GLY 75 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1ozi n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 76 N -2.68 4.66 0.31 1.61 1.01 0.17 -5.00 120.40 120.48 1ozi s VAL 76 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 1ozi s VAL 76 Cb 0.00 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1ozi s VAL 76 CO 0.00 -0.51 1.51 -0.44 0.00 0.00 0.00 175.10 175.67 1ozi s SER 77 N 1.90 6.45 -0.31 3.32 0.01 -1.26 -0.11 113.70 123.70 1ozi s SER 77 Ca 0.34 2.90 0.08 0.00 1.31 0.00 0.00 55.95 60.58 1ozi s SER 77 Cb -0.12 -2.64 0.48 0.00 0.21 0.00 0.00 66.02 63.95 1ozi s SER 77 CO 0.18 -0.83 1.43 0.18 0.41 0.00 0.00 173.24 174.61 1ozi n LEU 78 N 1.68 4.29 -4.58 2.44 4.77 -0.28 -4.84 117.00 120.47 1ozi n LEU 78 Ca 0.05 -4.00 -0.42 0.00 -0.03 0.00 0.00 56.01 51.61 1ozi n LEU 78 Cb 0.39 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1ozi n LEU 78 CO 0.63 1.44 0.64 -1.61 -1.33 0.00 0.00 177.39 177.16 1ozi s GLU 79 N -3.35 3.70 0.00 3.23 2.02 -1.25 -3.19 118.70 119.85 1ozi s GLU 79 Ca 0.46 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1ozi s GLU 79 Cb 0.41 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1ozi s GLU 79 CO -0.01 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1ozi n GLY 80 N 4.61 0.91 3.90 -1.39 0.00 -1.26 -5.07 105.19 106.89 1ozi n GLY 80 Ca 0.04 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi s ALA 81 N -2.00 3.94 0.62 4.61 0.00 -1.19 -5.10 121.76 122.64 1ozi s ALA 81 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 1ozi s ALA 81 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1ozi s ALA 81 CO 0.00 0.75 0.98 0.95 0.00 0.00 0.00 175.76 178.44 1ozi s THR 82 N -1.33 4.09 0.26 0.00 -4.23 -1.26 -4.86 115.64 108.30 1ozi s THR 82 Ca 0.28 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 61.19 1ozi s THR 82 Cb -0.13 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 70.31 1ozi s THR 82 CO 0.19 -0.76 1.76 1.12 -0.54 0.00 0.00 174.62 176.38 1ozi h HIS 83 N -0.30 0.71 -0.94 3.99 2.07 -1.90 0.62 115.15 119.40 1ozi h HIS 83 Ca -0.45 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.09 1ozi h HIS 83 Cb 1.23 -0.19 -0.04 0.00 2.57 0.00 0.00 27.41 30.97 1ozi h HIS 83 CO 0.55 0.17 0.55 -0.22 -3.07 0.00 0.00 177.93 175.91 1ozi h LYS 84 N 0.59 1.28 -0.16 5.12 3.64 -1.92 0.20 116.57 125.32 1ozi h LYS 84 Ca 0.45 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1ozi h LYS 84 Cb 0.63 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ozi h LYS 84 CO -0.36 0.91 -0.03 1.96 -2.27 0.00 0.00 179.45 179.66 1ozi h GLN 85 N 1.30 0.30 -0.23 1.90 1.08 -1.53 0.57 115.11 118.51 1ozi h GLN 85 Ca 0.33 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1ozi h GLN 85 Cb -0.03 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1ozi h GLN 85 CO -0.06 0.56 0.04 0.00 -0.95 0.00 0.00 178.83 178.42 1ozi h ALA 86 N 0.73 0.23 0.00 3.87 0.00 -0.58 -1.35 119.26 122.16 1ozi h ALA 86 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ozi h ALA 86 Cb 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ozi h ALA 86 CO 0.01 -0.39 -0.25 0.28 0.00 0.00 0.00 179.25 178.91 1ozi h VAL 87 N 0.12 1.05 -0.42 0.00 2.07 -0.55 -1.23 116.25 117.30 1ozi h VAL 87 Ca 0.10 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1ozi h VAL 87 Cb 0.11 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ozi h VAL 87 CO -0.14 0.25 -0.02 -0.08 0.02 0.00 0.00 177.57 177.59 1ozi h GLU 88 N 0.00 0.75 -0.30 1.57 4.81 -0.03 0.36 114.58 121.74 1ozi h GLU 88 Ca -0.00 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1ozi h GLU 88 Cb 0.48 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1ozi h GLU 88 CO 0.03 0.84 -0.08 1.15 -0.73 0.00 0.00 179.01 180.23 1ozi h THR 89 N 0.58 1.21 0.00 0.32 2.02 -0.62 0.20 112.91 116.62 1ozi h THR 89 Ca 0.12 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1ozi h THR 89 Cb 0.52 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1ozi h THR 89 CO 0.03 0.30 0.00 -0.07 0.37 0.00 0.00 175.52 176.15 1ozi h LEU 90 N 0.47 0.00 0.02 2.58 3.38 -0.30 -0.31 115.31 121.15 1ozi h LEU 90 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 1ozi h LEU 90 Cb 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1ozi h LEU 90 CO 0.02 0.00 -2.04 0.54 0.09 0.00 0.00 178.44 177.05 1ozi n ARG 91 N -2.77 0.67 0.24 1.13 1.74 0.03 -4.30 116.66 113.40 1ozi n ARG 91 Ca 0.03 0.19 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 1ozi n ARG 91 Cb 0.37 -1.67 0.39 0.00 -1.02 0.00 0.00 32.46 30.53 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1ozi h ASN 92 N 0.01 0.00 0.00 0.55 -1.24 -0.27 -3.36 115.58 111.27 1ozi h ASN 92 Ca -0.42 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1ozi h ASN 92 Cb 2.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.12 1ozi h ASN 92 CO 0.05 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.54 1ozi n THR 93 N -3.06 0.00 0.00 -3.57 -2.24 -0.16 -5.05 114.28 100.19 1ozi n THR 93 Ca 0.03 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1ozi n THR 93 Cb 0.43 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1ozi n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozi n GLY 94 N 1.77 -0.69 0.14 3.38 0.00 -1.26 -5.00 105.19 103.53 1ozi n GLY 94 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1ozi n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ozi h GLN 95 N 0.00 0.31 -4.30 1.61 4.15 -1.92 -3.42 115.11 111.54 1ozi h GLN 95 Ca 0.00 -0.53 -0.74 0.00 0.77 0.00 0.00 58.65 58.16 1ozi h GLN 95 Cb 0.00 0.20 -0.23 0.00 0.21 0.00 0.00 27.48 27.66 1ozi h GLN 95 CO 0.00 1.25 -0.33 0.08 -1.93 0.00 0.00 178.83 177.90 1ozi s VAL 96 N -2.57 5.15 -0.05 2.39 1.01 -1.26 -0.39 120.40 124.69 1ozi s VAL 96 Ca -0.20 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 1ozi s VAL 96 Cb 0.06 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1ozi s VAL 96 CO 0.80 -0.60 0.03 -0.69 0.00 0.00 0.00 175.10 174.64 1ozi s VAL 97 N 1.62 4.43 -0.17 2.92 1.01 0.11 -4.90 120.40 125.42 1ozi s VAL 97 Ca 0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1ozi s VAL 97 Cb -0.25 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1ozi s VAL 97 CO 0.06 0.49 -0.05 -1.00 0.00 0.00 0.00 175.10 174.60 1ozi s HIS 98 N -1.01 2.98 0.08 5.22 3.76 -1.25 -0.59 115.29 124.47 1ozi s HIS 98 Ca 0.17 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.68 1ozi s HIS 98 Cb -0.12 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 1ozi s HIS 98 CO 0.07 -0.16 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.13 1ozi s LEU 99 N 0.59 2.29 -0.40 0.89 1.02 -0.15 0.06 118.68 122.98 1ozi s LEU 99 Ca -0.03 -0.65 -0.15 0.00 0.02 0.00 0.00 54.13 53.32 1ozi s LEU 99 Cb -0.15 -0.62 0.01 0.00 0.02 0.00 0.00 46.19 45.46 1ozi s LEU 99 CO 0.03 -0.04 0.34 -0.22 0.02 0.00 0.00 176.35 176.47 1ozi s LEU 100 N -1.82 4.92 0.41 1.79 1.98 0.17 0.33 118.68 126.46 1ozi s LEU 100 Ca 0.01 -0.73 0.07 0.00 -2.89 0.00 0.00 54.13 50.59 1ozi s LEU 100 Cb -0.10 -2.24 -0.08 0.00 0.66 0.00 0.00 46.19 44.44 1ozi s LEU 100 CO 0.03 -0.46 0.02 -0.76 -1.89 0.00 0.00 176.35 173.29 1ozi s LEU 101 N 1.85 2.89 -0.07 -0.68 1.02 -0.32 -0.66 118.68 122.71 1ozi s LEU 101 Ca 0.08 -1.34 0.01 0.00 0.02 0.00 0.00 54.13 52.91 1ozi s LEU 101 Cb -0.18 -0.95 0.02 0.00 0.02 0.00 0.00 46.19 45.10 1ozi s LEU 101 CO 0.11 -0.45 -0.09 -0.70 0.02 0.00 0.00 176.35 175.24 1ozi s GLU 102 N -3.72 1.43 0.08 1.70 2.12 -0.05 -1.17 118.70 119.09 1ozi s GLU 102 Ca 0.35 -0.30 -0.31 0.00 0.36 0.00 0.00 54.97 55.07 1ozi s GLU 102 Cb 0.09 -1.28 -0.11 0.00 0.26 0.00 0.00 34.13 33.10 1ozi s GLU 102 CO 0.18 -0.05 1.86 1.17 -0.54 0.00 0.00 175.26 177.88 1ozi n LYS 103 N 4.07 2.72 -1.53 4.30 3.00 0.23 -1.33 118.16 129.61 1ozi n LYS 103 Ca -0.22 0.99 -0.14 0.00 -0.00 0.00 0.00 58.31 58.94 1ozi n LYS 103 Cb 0.51 -2.89 0.09 0.00 0.00 0.00 0.00 35.03 32.74 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 104 N 4.28 5.97 1.02 3.14 0.00 -1.25 -2.60 105.19 115.74 1ozi n GLY 104 Ca 0.19 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 1ozi n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ozi n GLN 105 N -0.85 1.07 -3.74 1.61 6.02 -1.26 -4.14 117.38 116.09 1ozi n GLN 105 Ca 0.36 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.00 57.06 1ozi n GLN 105 Cb 0.88 -1.10 -0.14 0.00 1.02 0.00 0.00 30.24 30.89 1ozi n GLN 105 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1ozi s VAL 106 N -0.25 -0.07 -2.00 5.09 -7.23 -1.26 -4.98 120.40 109.70 1ozi s VAL 106 Ca 0.03 0.19 0.25 0.00 -1.81 0.00 0.00 61.98 60.64 1ozi s VAL 106 Cb 0.02 -0.26 0.71 0.00 0.56 0.00 0.00 36.38 37.42 1ozi s VAL 106 CO 0.01 0.08 1.85 -2.65 -0.31 0.00 0.00 175.10 174.07