#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yti s GLN 2 N 0.00 1.72 -0.16 -0.52 0.00 -1.26 -5.14 119.66 114.31 1yti s GLN 2 Ca 0.00 -1.04 -0.02 0.00 -0.00 0.00 0.00 55.36 54.30 1yti s GLN 2 Cb 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 33.01 33.57 1yti s GLN 2 CO 0.00 -0.77 -0.10 -0.06 0.00 0.00 0.00 175.29 174.36 1yti s PHE 3 N -3.94 2.88 -0.19 9.60 0.40 -1.26 -5.09 117.98 120.38 1yti s PHE 3 Ca 0.14 -0.68 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 1yti s PHE 3 Cb -0.05 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 1yti s PHE 3 CO 0.07 -0.27 0.21 -1.01 0.70 0.00 0.00 175.22 174.92 1yti s HIS 4 N 0.63 3.42 -0.15 0.36 3.76 -1.26 -5.01 115.29 117.03 1yti s HIS 4 Ca -0.06 0.43 0.01 0.00 -0.15 0.00 0.00 55.06 55.30 1yti s HIS 4 Cb -0.15 -2.26 0.19 0.00 1.11 0.00 0.00 32.58 31.46 1yti s HIS 4 CO 0.03 0.23 1.45 1.28 -0.85 0.00 0.00 174.74 176.87 1yti n LEU 5 N 3.69 4.57 0.18 0.89 4.77 -1.26 -4.11 117.00 125.73 1yti n LEU 5 Ca -0.14 -2.33 0.05 0.00 -0.03 0.00 0.00 56.01 53.56 1yti n LEU 5 Cb 0.52 -0.71 0.27 0.00 -2.33 0.00 0.00 43.42 41.17 1yti n LEU 5 CO 0.38 0.78 0.63 -0.50 -1.33 0.00 0.00 177.39 177.34 1yti h TRP 6 N 0.53 0.00 -2.20 -1.77 4.06 -2.06 -3.44 115.95 111.07 1yti h TRP 6 Ca 0.19 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.54 1yti h TRP 6 Cb 1.42 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.45 1yti h TRP 6 CO 0.51 0.42 -0.74 0.15 -3.56 0.00 0.00 178.44 175.21 1yti s LYS 7 N -3.47 1.79 0.09 0.49 1.02 -1.26 -5.12 119.74 113.28 1yti s LYS 7 Ca 0.01 -1.71 -0.36 0.00 0.02 0.00 0.00 55.97 53.93 1yti s LYS 7 Cb 0.10 -1.84 -0.15 0.00 -0.52 0.00 0.00 37.83 35.42 1yti s LYS 7 CO 0.70 0.33 1.48 0.54 -0.92 0.00 0.00 175.35 177.48 1yti n ARG 8 N -0.67 1.60 -2.45 1.68 1.74 -1.26 -4.89 116.66 112.41 1yti n ARG 8 Ca -0.05 0.58 -0.38 0.00 -0.77 0.00 0.00 57.85 57.23 1yti n ARG 8 Cb 0.60 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.72 1yti n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1yti s PRO 9 N 0.94 3.41 -0.10 5.56 0.04 -1.26 -4.97 135.00 138.61 1yti s PRO 9 Ca 0.83 -1.09 0.02 0.00 0.04 0.00 0.00 61.00 60.80 1yti s PRO 9 Cb -0.84 -5.32 -0.02 0.00 0.04 0.00 0.00 34.50 28.36 1yti s PRO 9 CO 0.44 -2.50 -0.15 0.08 0.04 0.00 0.00 177.00 174.91 1yti s VAL 10 N 6.06 2.88 0.21 -0.36 1.01 -1.26 -0.89 120.40 128.05 1yti s VAL 10 Ca 0.52 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1yti s VAL 10 Cb -0.01 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1yti s VAL 10 CO -0.05 0.55 0.01 0.68 0.00 0.00 0.00 175.10 176.29 1yti s VAL 11 N 0.05 0.81 -0.03 2.92 -7.23 -0.69 -4.96 120.40 111.28 1yti s VAL 11 Ca -0.06 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 1yti s VAL 11 Cb -0.15 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1yti s VAL 11 CO 0.05 -0.35 0.42 -0.89 -0.31 0.00 0.00 175.10 174.02 1yti s THR 12 N -3.57 5.06 0.17 5.32 2.01 -1.26 -0.37 115.64 122.99 1yti s THR 12 Ca 0.28 0.86 0.07 0.00 0.31 0.00 0.00 61.69 63.21 1yti s THR 12 Cb 0.06 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1yti s THR 12 CO 0.07 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.36 1yti s ALA 13 N -0.65 1.85 -0.26 7.40 0.00 0.22 -4.70 121.76 125.62 1yti s ALA 13 Ca 0.24 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 1yti s ALA 13 Cb -0.16 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1yti s ALA 13 CO 0.12 0.13 -0.01 -1.01 0.00 0.00 0.00 175.76 174.99 1yti s HIS 14 N -2.44 3.08 -0.30 0.00 3.76 -0.63 -0.88 115.29 117.88 1yti s HIS 14 Ca 0.16 -1.30 -0.08 0.00 -0.15 0.00 0.00 55.06 53.69 1yti s HIS 14 Cb -0.03 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1yti s HIS 14 CO 0.05 -0.66 0.11 0.42 -0.85 0.00 0.00 174.74 173.82 1yti s ILE 15 N 1.40 4.24 -1.55 0.60 -1.09 0.13 -2.18 121.20 122.75 1yti s ILE 15 Ca 0.01 -0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 1yti s ILE 15 Cb -0.17 -3.18 0.07 0.00 -1.58 0.00 0.00 42.46 37.61 1yti s ILE 15 CO -0.02 0.07 0.58 -0.62 -1.23 0.00 0.00 174.94 173.72 1yti n GLU 16 N 4.92 -3.24 0.00 2.79 -0.58 -0.24 -0.39 120.64 123.90 1yti n GLU 16 Ca -0.14 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1yti n GLU 16 Cb 0.48 -4.78 0.00 0.00 -0.57 0.00 0.00 31.44 26.58 1yti n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yti n GLY 17 N -1.75 2.91 3.72 0.62 0.00 -1.26 -5.02 105.19 104.41 1yti n GLY 17 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1yti n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yti s GLN 18 N -0.35 4.45 0.06 1.61 -0.21 0.48 -4.98 119.66 120.71 1yti s GLN 18 Ca 0.00 0.93 -0.28 0.00 0.02 0.00 0.00 55.36 56.03 1yti s GLN 18 Cb 0.00 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 1yti s GLN 18 CO 0.00 0.11 0.89 -1.25 -2.12 0.00 0.00 175.29 172.92 1yti s PRO 19 N 0.63 4.60 -0.03 2.91 0.04 -1.26 0.19 135.00 142.08 1yti s PRO 19 Ca 0.38 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 1yti s PRO 19 Cb -0.18 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1yti s PRO 19 CO 0.19 0.18 0.10 0.54 0.04 0.00 0.00 177.00 178.06 1yti s VAL 20 N 0.19 0.02 -0.07 -0.36 0.11 -0.06 -4.96 120.40 115.26 1yti s VAL 20 Ca 0.45 -0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 59.10 1yti s VAL 20 Cb -0.22 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1yti s VAL 20 CO 0.27 -0.09 0.72 -1.61 -3.33 0.00 0.00 175.10 171.06 1yti s GLU 21 N -0.25 4.43 0.08 1.54 0.41 -1.26 -0.61 118.70 123.04 1yti s GLU 21 Ca -0.03 0.91 0.05 0.00 -0.41 0.00 0.00 54.97 55.49 1yti s GLU 21 Cb -0.02 -3.46 -0.03 0.00 -1.78 0.00 0.00 34.13 28.84 1yti s GLU 21 CO 0.00 0.04 -0.13 0.14 -0.49 0.00 0.00 175.26 174.82 1yti s VAL 22 N 0.88 1.09 -0.19 2.63 -7.23 0.50 -4.53 120.40 113.54 1yti s VAL 22 Ca 0.38 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.02 1yti s VAL 22 Cb -0.18 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 1yti s VAL 22 CO 0.18 -0.32 0.24 -0.22 -0.31 0.00 0.00 175.10 174.67 1yti s LEU 23 N -1.95 4.19 -0.43 1.32 2.96 0.56 -1.70 118.68 123.63 1yti s LEU 23 Ca 0.00 0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 54.02 1yti s LEU 23 Cb -0.08 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.37 1yti s LEU 23 CO 0.02 0.09 0.86 -0.76 -1.32 0.00 0.00 176.35 175.23 1yti s LEU 24 N 0.69 4.10 -0.28 -0.68 1.43 -0.07 -1.32 118.68 122.55 1yti s LEU 24 Ca 0.13 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1yti s LEU 24 Cb -0.13 -3.10 0.07 0.00 0.03 0.00 0.00 46.19 43.06 1yti s LEU 24 CO 0.03 -0.94 -0.05 -0.62 0.23 0.00 0.00 176.35 175.00 1yti s ASP 25 N 2.12 4.48 0.33 2.29 -1.08 -0.77 -4.82 116.67 119.22 1yti s ASP 25 Ca 0.34 -1.62 0.26 0.00 -0.52 0.00 0.00 52.55 51.01 1yti s ASP 25 Cb -0.11 -1.52 1.07 0.00 -1.46 0.00 0.00 42.92 40.89 1yti s ASP 25 CO 0.23 -0.26 1.78 0.71 0.52 0.00 0.00 175.17 178.15 1yti h THR 26 N 6.70 0.00 -0.53 1.71 1.35 -1.94 -2.04 112.91 118.16 1yti h THR 26 Ca -0.14 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1yti h THR 26 Cb 1.04 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1yti h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1yti n GLY 27 N 0.04 1.52 3.69 5.82 0.00 -1.26 -4.82 105.19 110.19 1yti n GLY 27 Ca 0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1yti n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yti s ALA 28 N -1.29 3.43 0.13 4.61 0.00 -0.77 -4.99 121.76 122.88 1yti s ALA 28 Ca 0.36 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 1yti s ALA 28 Cb 0.19 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.48 1yti s ALA 28 CO 0.25 0.42 1.37 -0.44 0.00 0.00 0.00 175.76 177.37 1yti h ASP 29 N 5.77 0.90 -3.44 0.00 3.32 -1.88 -0.35 116.42 120.74 1yti h ASP 29 Ca -0.45 -0.54 -0.52 0.00 0.02 0.00 0.00 57.03 55.54 1yti h ASP 29 Cb 1.19 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 1yti h ASP 29 CO 0.61 1.33 -0.54 -1.81 -1.72 0.00 0.00 179.24 177.11 1yti s ASP 30 N -7.02 2.49 -0.01 6.45 1.01 -1.26 -3.37 116.67 114.96 1yti s ASP 30 Ca -0.10 -1.60 0.03 0.00 0.71 0.00 0.00 52.55 51.59 1yti s ASP 30 Cb 0.10 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.37 1yti s ASP 30 CO 0.89 -0.86 -0.07 -0.44 0.21 0.00 0.00 175.17 174.90 1yti s SER 31 N -3.54 4.62 -0.04 0.27 0.01 -1.26 -3.29 113.70 110.47 1yti s SER 31 Ca 0.28 -0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.38 1yti s SER 31 Cb 0.04 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.20 1yti s SER 31 CO 0.15 0.29 0.09 -0.51 0.41 0.00 0.00 173.24 173.68 1yti s ILE 32 N -0.97 -0.01 0.08 1.44 2.07 -1.06 -1.84 121.20 120.91 1yti s ILE 32 Ca 0.16 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 1yti s ILE 32 Cb -0.11 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 1yti s ILE 32 CO 0.07 0.01 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.34 1yti s VAL 33 N 0.21 0.75 0.25 4.00 1.01 -0.39 -2.22 120.40 124.01 1yti s VAL 33 Ca -0.01 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.41 1yti s VAL 33 Cb -0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1yti s VAL 33 CO -0.01 -0.63 -0.00 0.28 0.00 0.00 0.00 175.10 174.75 1yti s THR 34 N -2.59 1.13 -1.06 3.92 -1.32 -1.26 -2.61 115.64 111.86 1yti s THR 34 Ca 0.04 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 1yti s THR 34 Cb -0.02 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1yti s THR 34 CO -0.02 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1yti n GLY 35 N -0.48 0.85 3.19 6.08 0.00 -1.26 -5.01 105.19 108.55 1yti n GLY 35 Ca -0.05 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1yti n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yti s ILE 36 N -2.43 1.40 -0.18 -0.61 1.01 -1.26 -5.14 121.20 114.00 1yti s ILE 36 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 1yti s ILE 36 Cb 0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1yti s ILE 36 CO 0.00 0.23 -0.02 -1.83 0.00 0.00 0.00 174.94 173.32 1yti s GLU 37 N -0.85 3.66 0.00 2.79 4.04 -1.26 -5.03 118.70 122.04 1yti s GLU 37 Ca 0.06 -0.52 0.00 0.00 0.04 0.00 0.00 54.97 54.55 1yti s GLU 37 Cb -0.08 -2.99 0.00 0.00 0.02 0.00 0.00 34.13 31.08 1yti s GLU 37 CO 0.01 0.14 0.33 1.28 -1.84 0.00 0.00 175.26 175.18 1yti n LEU 38 N 3.84 0.66 0.00 1.83 4.77 -1.26 -5.09 117.00 121.75 1yti n LEU 38 Ca -0.17 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1yti n LEU 38 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1yti n LEU 38 CO 0.32 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1yti n GLY 39 N 0.13 2.17 0.59 -0.72 0.00 -1.26 -4.83 105.19 101.26 1yti n GLY 39 Ca 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1yti n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yti n PRO 40 N -1.47 1.68 -2.85 1.61 -0.04 -1.26 -4.63 135.00 128.04 1yti n PRO 40 Ca 0.00 -1.19 -0.43 0.00 -0.04 0.00 0.00 63.50 61.84 1yti n PRO 40 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1yti n PRO 40 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1yti n HIS 41 N 0.38 3.43 -4.39 0.54 8.25 -1.26 -4.97 115.22 117.19 1yti n HIS 41 Ca 0.15 -3.00 -0.20 0.00 -0.26 0.00 0.00 57.72 54.41 1yti n HIS 41 Cb 0.44 -1.70 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 1yti n HIS 41 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1yti s TYR 42 N -0.86 1.85 -0.07 4.41 -0.85 -1.26 -4.72 117.35 115.85 1yti s TYR 42 Ca 0.36 -0.63 -0.02 0.00 -0.52 0.00 0.00 57.07 56.26 1yti s TYR 42 Cb 0.03 -0.96 -0.03 0.00 0.38 0.00 0.00 41.96 41.37 1yti s TYR 42 CO 0.03 0.33 0.02 0.99 -1.52 0.00 0.00 175.55 175.40 1yti s THR 43 N -2.98 4.44 0.33 -3.49 2.01 -0.33 -4.88 115.64 110.75 1yti s THR 43 Ca 0.26 -0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 1yti s THR 43 Cb 0.01 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 1yti s THR 43 CO 0.10 0.55 1.28 -2.84 -0.69 0.00 0.00 174.62 173.02 1yti s PRO 44 N -1.06 4.35 0.24 4.92 0.02 -1.26 -0.58 135.00 141.62 1yti s PRO 44 Ca 0.15 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 1yti s PRO 44 Cb -0.11 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1yti s PRO 44 CO 0.05 -0.17 0.27 0.15 -0.33 0.00 0.00 177.00 176.97 1yti s LYS 45 N -1.81 1.42 -0.03 5.54 -0.14 -0.64 -4.88 119.74 119.21 1yti s LYS 45 Ca 0.49 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.53 1yti s LYS 45 Cb -0.38 0.35 0.03 0.00 -1.68 0.00 0.00 37.83 36.14 1yti s LYS 45 CO 0.51 -0.52 0.00 0.96 -0.76 0.00 0.00 175.35 175.54 1yti s ILE 46 N -3.94 0.14 -0.03 2.17 -4.36 -1.26 -0.67 121.20 113.25 1yti s ILE 46 Ca 0.34 0.10 0.04 0.00 -0.26 0.00 0.00 60.65 60.87 1yti s ILE 46 Cb 0.04 -0.24 -0.03 0.00 1.25 0.00 0.00 42.46 43.48 1yti s ILE 46 CO 0.14 0.13 -0.14 0.68 0.24 0.00 0.00 174.94 175.99 1yti s VAL 47 N 0.98 3.06 -0.03 8.37 -7.23 -0.70 -4.94 120.40 119.91 1yti s VAL 47 Ca -0.10 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1yti s VAL 47 Cb -0.13 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1yti s VAL 47 CO -0.02 0.54 0.12 -0.83 -0.31 0.00 0.00 175.10 174.60 1yti s GLY 48 N -0.89 2.09 0.00 2.32 0.00 -1.26 -0.81 107.32 108.77 1yti s GLY 48 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1yti s GLY 48 CO 0.02 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.10 1yti n GLY 49 N 1.32 5.34 0.18 0.20 0.00 -0.17 -4.98 105.19 107.07 1yti n GLY 49 Ca -0.14 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 1yti n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yti h ILE 50 N 0.00 0.30 -0.03 -0.61 1.08 -2.03 -3.36 117.51 112.87 1yti h ILE 50 Ca 0.00 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1yti h ILE 50 Cb 0.00 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 1yti h ILE 50 CO 0.00 0.08 0.00 0.61 -0.69 0.00 0.00 178.15 178.15 1yti n GLY 51 N 0.69 -0.78 0.00 5.37 0.00 -1.26 -5.00 105.19 104.21 1yti n GLY 51 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1yti n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yti n GLY 52 N 0.88 0.72 3.27 -0.02 0.00 -1.26 -5.16 105.19 103.62 1yti n GLY 52 Ca 0.16 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 1yti n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yti s PHE 53 N -3.86 1.35 0.20 1.61 -0.12 -1.26 -1.00 117.98 114.91 1yti s PHE 53 Ca 0.00 -0.79 0.03 0.00 -0.05 0.00 0.00 56.93 56.12 1yti s PHE 53 Cb 0.00 -0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 41.63 1yti s PHE 53 CO 0.00 0.06 -0.02 0.96 -0.05 0.00 0.00 175.22 176.18 1yti s ILE 54 N -3.34 0.97 -0.06 -4.49 -4.36 0.01 -4.97 121.20 104.96 1yti s ILE 54 Ca 0.20 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.37 1yti s ILE 54 Cb 0.03 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 1yti s ILE 54 CO 0.03 -0.42 0.53 0.20 0.24 0.00 0.00 174.94 175.52 1yti s ASN 55 N -3.25 6.83 0.41 4.36 0.01 -1.26 -1.72 114.94 120.31 1yti s ASN 55 Ca 0.26 0.99 0.04 0.00 -0.71 0.00 0.00 52.86 53.43 1yti s ASN 55 Cb 0.05 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1yti s ASN 55 CO 0.06 0.07 0.06 0.42 -1.51 0.00 0.00 177.10 176.20 1yti s THR 56 N 0.14 1.13 -0.22 1.60 -4.23 0.16 -4.49 115.64 109.73 1yti s THR 56 Ca 0.28 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1yti s THR 56 Cb -0.17 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1yti s THR 56 CO 0.14 0.00 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.54 1yti s LYS 57 N -3.80 2.40 -0.20 3.99 1.02 -0.36 -1.61 119.74 121.17 1yti s LYS 57 Ca 0.25 -1.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 1yti s LYS 57 Cb 0.05 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1yti s LYS 57 CO 0.13 -0.43 0.43 -2.00 -0.92 0.00 0.00 175.35 172.56 1yti s GLU 58 N 1.23 4.18 -0.10 1.68 2.12 0.25 -1.66 118.70 126.41 1yti s GLU 58 Ca -0.03 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.59 1yti s GLU 58 Cb -0.17 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1yti s GLU 58 CO -0.08 -0.07 -0.17 0.71 -0.54 0.00 0.00 175.26 175.11 1yti s TYR 59 N 1.38 2.70 0.30 5.30 2.02 -0.73 -1.18 117.35 127.14 1yti s TYR 59 Ca 0.21 -0.66 0.08 0.00 -0.37 0.00 0.00 57.07 56.32 1yti s TYR 59 Cb -0.15 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1yti s TYR 59 CO 0.09 -0.19 0.21 0.15 -1.57 0.00 0.00 175.55 174.23 1yti s LYS 60 N 0.11 2.71 -1.39 -0.62 1.02 -1.26 -2.21 119.74 118.10 1yti s LYS 60 Ca -0.08 -1.25 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 1yti s LYS 60 Cb -0.15 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1yti s LYS 60 CO 0.05 0.24 0.37 0.09 -0.92 0.00 0.00 175.35 175.19 1yti n ASN 61 N -1.22 -1.19 -4.85 2.83 4.13 -1.12 -4.92 115.26 108.92 1yti n ASN 61 Ca -0.05 -1.15 -0.35 0.00 1.68 0.00 0.00 54.58 54.71 1yti n ASN 61 Cb 0.59 -2.36 -0.06 0.00 -1.54 0.00 0.00 39.78 36.41 1yti n ASN 61 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1yti s VAL 62 N -3.97 4.85 -0.23 2.41 1.01 0.17 -4.69 120.40 119.95 1yti s VAL 62 Ca 0.15 0.80 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 1yti s VAL 62 Cb -0.07 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1yti s VAL 62 CO 0.94 0.17 0.29 -0.70 0.00 0.00 0.00 175.10 175.80 1yti s GLU 63 N -2.15 4.10 -0.06 2.72 2.12 -1.26 -0.75 118.70 123.42 1yti s GLU 63 Ca 0.40 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.71 1yti s GLU 63 Cb -0.14 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.70 1yti s GLU 63 CO 0.20 -0.04 -0.08 0.08 -0.54 0.00 0.00 175.26 174.88 1yti s VAL 64 N 1.35 0.79 -0.18 3.70 1.01 -0.58 -1.08 120.40 125.42 1yti s VAL 64 Ca 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1yti s VAL 64 Cb -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1yti s VAL 64 CO 0.07 0.29 -0.15 -0.70 0.00 0.00 0.00 175.10 174.60 1yti s GLU 65 N 0.90 3.14 -0.13 2.72 2.12 -0.93 -0.85 118.70 125.68 1yti s GLU 65 Ca -0.11 -0.76 -0.25 0.00 0.36 0.00 0.00 54.97 54.21 1yti s GLU 65 Cb -0.15 -2.68 0.06 0.00 0.26 0.00 0.00 34.13 31.63 1yti s GLU 65 CO 0.01 -0.13 0.61 0.54 -0.54 0.00 0.00 175.26 175.75 1yti s VAL 66 N 1.16 0.01 -1.57 3.70 0.11 0.11 -1.61 120.40 122.31 1yti s VAL 66 Ca 0.01 -0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 58.85 1yti s VAL 66 Cb -0.14 -0.90 0.12 0.00 -1.53 0.00 0.00 36.38 33.93 1yti s VAL 66 CO -0.06 -0.03 0.82 0.18 -3.33 0.00 0.00 175.10 172.68 1yti n LEU 67 N 1.77 -2.02 -1.85 2.54 4.77 -1.26 -1.00 117.00 119.94 1yti n LEU 67 Ca -0.17 -0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 54.88 1yti n LEU 67 Cb 0.56 -2.29 0.03 0.00 -2.33 0.00 0.00 43.42 39.39 1yti n LEU 67 CO 0.16 0.34 0.03 0.61 -1.33 0.00 0.00 177.39 177.20 1yti n GLY 68 N -1.48 0.05 3.35 -0.72 0.00 -1.26 -5.03 105.19 100.10 1yti n GLY 68 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1yti n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yti s LYS 69 N -5.29 0.91 -0.18 1.61 0.00 -0.17 -5.15 119.74 111.47 1yti s LYS 69 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 55.97 55.96 1yti s LYS 69 Cb -0.09 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.16 1yti s LYS 69 CO 0.25 -0.30 -0.13 -0.98 0.00 0.00 0.00 175.35 174.19 1yti s ARG 70 N -2.02 3.20 0.19 1.78 1.70 -1.26 0.07 118.95 122.61 1yti s ARG 70 Ca -0.08 -0.73 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 1yti s ARG 70 Cb -0.02 -2.74 -0.05 0.00 -0.57 0.00 0.00 34.95 31.58 1yti s ARG 70 CO 0.01 -0.13 -0.01 0.96 -1.08 0.00 0.00 175.30 175.05 1yti s ILE 71 N 1.18 0.87 -0.02 4.99 -4.36 -0.03 -4.99 121.20 118.85 1yti s ILE 71 Ca 0.02 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.46 1yti s ILE 71 Cb -0.14 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 1yti s ILE 71 CO -0.05 -0.46 -0.22 -0.54 0.24 0.00 0.00 174.94 173.91 1yti s LYS 72 N -3.87 2.21 0.14 0.37 3.01 -1.26 -1.52 119.74 118.82 1yti s LYS 72 Ca 0.24 -0.87 -0.09 0.00 -1.01 0.00 0.00 55.97 54.24 1yti s LYS 72 Cb 0.05 -2.15 0.03 0.00 -1.01 0.00 0.00 37.83 34.76 1yti s LYS 72 CO 0.05 0.58 0.46 0.41 0.51 0.00 0.00 175.35 177.36 1yti n GLY 73 N 2.33 1.20 3.69 -3.33 0.00 0.07 -4.81 105.19 104.33 1yti n GLY 73 Ca -0.16 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1yti n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yti s THR 74 N -2.42 4.96 0.03 2.61 2.01 -1.26 -0.65 115.64 120.92 1yti s THR 74 Ca 0.10 1.53 0.07 0.00 0.31 0.00 0.00 61.69 63.70 1yti s THR 74 Cb -0.02 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 1yti s THR 74 CO 0.04 0.14 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.29 1yti s ILE 75 N 1.51 1.53 0.17 1.82 -1.09 -0.94 -4.58 121.20 119.63 1yti s ILE 75 Ca 0.38 -1.09 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1yti s ILE 75 Cb -0.17 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.34 1yti s ILE 75 CO 0.15 0.21 0.02 -0.04 -1.23 0.00 0.00 174.94 174.05 1yti s MET 76 N -1.03 2.47 0.15 2.79 -1.94 -0.77 -1.78 119.30 119.20 1yti s MET 76 Ca 0.06 -1.07 0.11 0.00 -1.71 0.00 0.00 55.69 53.08 1yti s MET 76 Cb -0.08 -2.40 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 1yti s MET 76 CO 0.01 0.46 -0.25 0.95 -0.01 0.00 0.00 175.02 176.18 1yti s THR 77 N -1.73 2.22 -0.17 2.05 -4.23 -0.66 -1.26 115.64 111.86 1yti s THR 77 Ca 0.28 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1yti s THR 77 Cb -0.09 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1yti s THR 77 CO 0.19 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1yti n GLY 78 N 0.68 -1.23 2.71 3.99 0.00 -1.07 -1.23 105.19 109.03 1yti n GLY 78 Ca -0.16 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1yti n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yti n ASP 79 N 0.10 6.62 -4.80 1.61 2.03 -1.26 -4.37 116.55 116.48 1yti n ASP 79 Ca 0.00 -3.21 -0.37 0.00 0.52 0.00 0.00 54.79 51.73 1yti n ASP 79 Cb 0.00 -1.38 -0.06 0.00 -0.72 0.00 0.00 41.12 38.96 1yti n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1yti s THR 80 N -1.01 4.51 -0.35 5.18 -1.32 -1.26 -4.97 115.64 116.42 1yti s THR 80 Ca 0.44 1.42 0.26 0.00 -1.21 0.00 0.00 61.69 62.60 1yti s THR 80 Cb 0.13 -3.95 0.29 0.00 -1.51 0.00 0.00 72.50 67.46 1yti s THR 80 CO -0.03 0.33 1.78 1.55 -2.21 0.00 0.00 174.62 176.04 1yti h PRO 81 N 3.79 0.00 -3.35 7.08 0.13 -2.00 -3.46 132.00 134.18 1yti h PRO 81 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1yti h PRO 81 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1yti h PRO 81 CO 0.65 0.00 -0.34 -1.50 -0.23 0.00 0.00 178.00 176.58 1yti s ILE 82 N -3.39 0.09 -0.05 -3.56 2.07 -1.26 -5.15 121.20 109.95 1yti s ILE 82 Ca 0.04 -0.71 -0.15 0.00 -1.41 0.00 0.00 60.65 58.42 1yti s ILE 82 Cb 0.09 -0.78 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 1yti s ILE 82 CO 0.45 -0.39 0.40 0.20 -1.91 0.00 0.00 174.94 173.69 1yti s ASN 83 N -1.80 6.73 -0.10 4.50 0.01 -1.26 -4.89 114.94 118.13 1yti s ASN 83 Ca -0.08 0.86 0.04 0.00 -0.71 0.00 0.00 52.86 52.97 1yti s ASN 83 Cb -0.03 -2.24 -0.00 0.00 0.41 0.00 0.00 41.25 39.39 1yti s ASN 83 CO -0.01 0.23 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.94 1yti s ILE 84 N -0.52 2.08 -0.34 0.60 -1.09 -0.94 -0.32 121.20 120.66 1yti s ILE 84 Ca 0.23 -1.01 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 1yti s ILE 84 Cb -0.16 -1.79 -0.00 0.00 -1.58 0.00 0.00 42.46 38.93 1yti s ILE 84 CO 0.11 0.56 0.22 -0.36 -1.23 0.00 0.00 174.94 174.24 1yti s PHE 85 N 0.35 3.22 0.41 3.97 0.40 -0.44 -2.57 117.98 123.31 1yti s PHE 85 Ca -0.19 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1yti s PHE 85 Cb -0.18 -2.45 0.09 0.00 0.51 0.00 0.00 43.02 40.99 1yti s PHE 85 CO 0.09 -0.45 0.56 0.41 0.70 0.00 0.00 175.22 176.52 1yti n GLY 86 N 5.06 -0.14 0.34 4.36 0.00 -1.21 -1.84 105.19 111.75 1yti n GLY 86 Ca -0.13 -1.86 0.16 0.00 0.00 0.00 0.00 46.02 44.19 1yti n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yti h ARG 87 N 0.00 0.00 -0.85 1.61 3.08 -1.12 -2.20 114.38 114.89 1yti h ARG 87 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1yti h ARG 87 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1yti h ARG 87 CO 0.16 0.00 0.48 -2.95 -1.07 0.00 0.00 179.97 176.60 1yti h ASN 88 N 0.00 1.05 0.53 7.04 -1.07 -1.82 -1.02 115.58 120.29 1yti h ASN 88 Ca 0.12 -0.08 -0.28 0.00 0.07 0.00 0.00 56.30 56.13 1yti h ASN 88 Cb 0.56 -0.27 -0.05 0.00 -2.07 0.00 0.00 38.32 36.49 1yti h ASN 88 CO -0.00 0.83 -1.65 -0.07 0.07 0.00 0.00 177.43 176.61 1yti h LEU 89 N 1.19 0.00 -1.34 6.14 3.38 -1.76 -3.34 115.31 119.58 1yti h LEU 89 Ca 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1yti h LEU 89 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yti h LEU 89 CO -0.05 0.97 -0.29 -0.07 0.09 0.00 0.00 178.44 179.08 1yti h LEU 90 N 0.00 0.06 -0.42 1.67 3.38 -1.06 -1.28 115.31 117.66 1yti h LEU 90 Ca -0.26 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 1yti h LEU 90 Cb 1.97 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1yti h LEU 90 CO 0.08 0.35 -0.34 0.71 0.09 0.00 0.00 178.44 179.34 1yti h THR 91 N 0.06 1.27 0.00 0.22 1.35 -1.36 -2.55 112.91 111.89 1yti h THR 91 Ca 0.01 -1.51 -0.03 0.00 -0.55 0.00 0.00 66.41 64.33 1yti h THR 91 Cb 0.55 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1yti h THR 91 CO 0.04 0.51 -0.12 0.00 -0.25 0.00 0.00 175.52 175.70 1yti h ALA 92 N 0.81 1.19 -0.32 6.62 0.00 -1.48 -2.07 119.26 124.00 1yti h ALA 92 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yti h ALA 92 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1yti h ALA 92 CO 0.09 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1yti n LEU 93 N -3.50 2.10 -3.53 0.00 4.77 -0.55 -4.96 117.00 111.31 1yti n LEU 93 Ca -0.01 -0.98 -0.20 0.00 -0.03 0.00 0.00 56.01 54.79 1yti n LEU 93 Cb 0.27 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1yti n LEU 93 CO 0.30 0.49 0.12 0.61 -1.33 0.00 0.00 177.39 177.58 1yti n GLY 94 N 1.17 -0.41 3.85 -0.72 0.00 -0.78 -5.02 105.19 103.29 1yti n GLY 94 Ca 0.15 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1yti n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yti s MET 95 N -5.75 3.23 0.04 1.61 -1.94 -1.01 -5.07 119.30 110.41 1yti s MET 95 Ca 0.19 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1yti s MET 95 Cb -0.08 -2.95 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 1yti s MET 95 CO 0.75 0.64 -0.04 -1.54 -0.01 0.00 0.00 175.02 174.82 1yti s SER 96 N -2.03 0.50 -0.25 3.03 1.04 -1.26 -4.75 113.70 109.98 1yti s SER 96 Ca 0.27 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.74 1yti s SER 96 Cb -0.12 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1yti s SER 96 CO 0.19 -0.46 0.45 -0.22 0.98 0.00 0.00 173.24 174.18 1yti s LEU 97 N -2.35 4.07 0.06 2.42 2.96 -1.26 -5.07 118.68 119.50 1yti s LEU 97 Ca -0.01 0.45 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 1yti s LEU 97 Cb 0.00 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1yti s LEU 97 CO -0.06 -0.21 -0.15 0.20 -1.32 0.00 0.00 176.35 174.81 1yti s ASN 98 N 1.48 4.05 0.00 3.68 -0.87 -1.26 -5.30 114.94 116.72 1yti s ASN 98 Ca 0.19 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 51.08 1yti s ASN 98 Cb -0.16 -0.72 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 1yti s ASN 98 CO 0.09 0.23 0.00 2.22 -2.57 0.00 0.00 177.10 177.08