#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdl s GLN 2 N 0.00 4.16 -0.12 -0.52 -2.07 -1.26 -5.06 119.66 114.80 1bdl s GLN 2 Ca 0.00 0.05 -0.14 0.00 -1.82 0.00 0.00 55.36 53.46 1bdl s GLN 2 Cb 0.00 -3.51 -0.05 0.00 -1.09 0.00 0.00 33.01 28.36 1bdl s GLN 2 CO 0.00 0.05 0.31 0.42 -1.32 0.00 0.00 175.29 174.75 1bdl s ILE 3 N 1.06 5.26 0.22 3.63 1.09 -1.26 -5.08 121.20 126.12 1bdl s ILE 3 Ca 0.15 0.61 -0.22 0.00 -1.10 0.00 0.00 60.65 60.09 1bdl s ILE 3 Cb -0.14 -3.64 -0.08 0.00 -1.06 0.00 0.00 42.46 37.54 1bdl s ILE 3 CO 0.06 0.46 0.76 0.42 -0.10 0.00 0.00 174.94 176.53 1bdl s THR 4 N -0.06 4.49 -0.38 2.92 -4.23 -1.26 -4.99 115.64 112.13 1bdl s THR 4 Ca 0.19 1.43 0.09 0.00 -1.18 0.00 0.00 61.69 62.22 1bdl s THR 4 Cb -0.14 -3.93 0.64 0.00 1.34 0.00 0.00 72.50 70.41 1bdl s THR 4 CO 0.07 0.27 1.60 0.18 -0.54 0.00 0.00 174.62 176.20 1bdl n LEU 5 N 0.90 5.28 0.10 4.79 4.77 -1.26 -4.10 117.00 127.48 1bdl n LEU 5 Ca -0.03 -2.72 -0.03 0.00 -0.03 0.00 0.00 56.01 53.19 1bdl n LEU 5 Cb 0.50 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1bdl n LEU 5 CO 0.44 0.68 0.32 -0.50 -1.33 0.00 0.00 177.39 177.00 1bdl h TRP 6 N 2.51 0.00 -4.24 -1.77 4.06 -2.06 -3.43 115.95 111.03 1bdl h TRP 6 Ca 0.17 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.52 1bdl h TRP 6 Cb 1.98 0.00 -0.27 0.00 -1.00 0.00 0.00 29.16 29.88 1bdl h TRP 6 CO 1.03 0.79 -0.85 -1.14 -3.56 0.00 0.00 178.44 174.72 1bdl s GLN 7 N -3.08 1.49 0.03 0.49 2.00 -1.26 -5.09 119.66 114.25 1bdl s GLN 7 Ca 0.01 -0.92 -0.37 0.00 -2.00 0.00 0.00 55.36 52.07 1bdl s GLN 7 Cb 0.11 -1.58 -0.16 0.00 0.80 0.00 0.00 33.01 32.17 1bdl s GLN 7 CO 0.79 0.41 1.41 0.54 -0.50 0.00 0.00 175.29 177.93 1bdl n ARG 8 N 1.98 1.17 -1.09 1.67 1.74 -1.26 -4.86 116.66 116.01 1bdl n ARG 8 Ca -0.17 0.42 -0.36 0.00 -0.77 0.00 0.00 57.85 56.97 1bdl n ARG 8 Cb 0.53 -2.08 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 1bdl n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bdl n PRO 9 N 2.98 1.90 -2.93 5.56 -0.04 -1.26 -4.92 135.00 136.29 1bdl n PRO 9 Ca 0.20 -1.82 -0.42 0.00 -0.04 0.00 0.00 63.50 61.42 1bdl n PRO 9 Cb 0.18 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 30.79 1bdl n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bdl s LEU 10 N 0.91 4.10 0.16 1.53 1.43 -1.26 -2.53 118.68 123.03 1bdl s LEU 10 Ca 0.51 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 54.08 1bdl s LEU 10 Cb 0.13 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1bdl s LEU 10 CO 0.04 -0.75 0.05 0.54 0.23 0.00 0.00 176.35 176.46 1bdl s VAL 11 N 3.17 4.04 0.08 -1.59 0.11 0.34 -4.87 120.40 121.68 1bdl s VAL 11 Ca 0.33 -1.24 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 1bdl s VAL 11 Cb -0.13 -3.03 -0.07 0.00 -1.53 0.00 0.00 36.38 31.62 1bdl s VAL 11 CO 0.17 -0.08 0.64 -0.89 -3.33 0.00 0.00 175.10 171.61 1bdl s THR 12 N -1.69 4.68 0.06 5.04 2.01 -1.26 -0.15 115.64 124.33 1bdl s THR 12 Ca 0.29 1.37 0.07 0.00 0.31 0.00 0.00 61.69 63.72 1bdl s THR 12 Cb -0.10 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1bdl s THR 12 CO 0.20 0.51 -0.18 0.27 -0.69 0.00 0.00 174.62 174.73 1bdl s ILE 13 N -0.89 1.44 -0.17 1.82 -4.36 -0.21 -2.32 121.20 116.52 1bdl s ILE 13 Ca 0.32 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.46 1bdl s ILE 13 Cb -0.20 -1.30 0.02 0.00 1.25 0.00 0.00 42.46 42.23 1bdl s ILE 13 CO 0.21 0.02 -0.17 -0.75 0.24 0.00 0.00 174.94 174.48 1bdl s LYS 14 N -1.44 2.66 -0.23 0.37 2.20 -0.86 -1.42 119.74 121.01 1bdl s LYS 14 Ca 0.04 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1bdl s LYS 14 Cb -0.09 -2.37 0.10 0.00 -1.51 0.00 0.00 37.83 33.95 1bdl s LYS 14 CO 0.02 -0.23 0.20 -1.50 -0.36 0.00 0.00 175.35 173.48 1bdl s ILE 15 N 1.37 -0.25 -1.22 5.43 2.07 -0.03 -1.01 121.20 127.56 1bdl s ILE 15 Ca 0.05 -0.32 -0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1bdl s ILE 15 Cb -0.13 -0.78 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 1bdl s ILE 15 CO -0.12 -0.37 0.92 0.61 -1.91 0.00 0.00 174.94 174.08 1bdl n GLY 16 N 5.30 -0.36 2.79 1.50 0.00 -1.26 -2.18 105.19 110.98 1bdl n GLY 16 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1bdl n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bdl n GLY 17 N -1.24 0.53 3.40 -0.02 0.00 -1.26 -4.99 105.19 101.62 1bdl n GLY 17 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1bdl n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bdl s GLN 18 N -0.43 3.48 -0.16 1.61 -0.21 -0.93 -5.09 119.66 117.93 1bdl s GLN 18 Ca 0.00 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 1bdl s GLN 18 Cb 0.00 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 1bdl s GLN 18 CO 0.00 0.15 0.01 -0.51 -2.12 0.00 0.00 175.29 172.82 1bdl s LEU 19 N 0.56 3.53 0.36 2.90 1.02 -1.26 -0.85 118.68 124.93 1bdl s LEU 19 Ca -0.06 -0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.04 1bdl s LEU 19 Cb -0.15 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.21 1bdl s LEU 19 CO 0.03 0.19 0.54 -0.75 0.02 0.00 0.00 176.35 176.38 1bdl s LYS 20 N 0.28 2.01 0.05 1.70 2.47 -0.51 -5.01 119.74 120.73 1bdl s LYS 20 Ca 0.00 -1.73 0.06 0.00 -1.56 0.00 0.00 55.97 52.75 1bdl s LYS 20 Cb -0.13 0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 36.69 1bdl s LYS 20 CO 0.02 -0.86 -0.12 -1.21 0.16 0.00 0.00 175.35 173.33 1bdl s GLU 21 N -2.83 2.23 0.05 4.03 2.02 -1.26 -1.04 118.70 121.89 1bdl s GLU 21 Ca 0.28 -0.92 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1bdl s GLU 21 Cb -0.01 -2.31 -0.00 0.00 0.10 0.00 0.00 34.13 31.90 1bdl s GLU 21 CO 0.19 0.55 0.15 0.00 0.02 0.00 0.00 175.26 176.17 1bdl s ALA 22 N -1.03 -0.21 0.13 5.21 0.00 0.78 -4.82 121.76 121.82 1bdl s ALA 22 Ca 0.17 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.47 1bdl s ALA 22 Cb -0.11 0.30 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 1bdl s ALA 22 CO 0.08 -0.37 0.64 -0.51 0.00 0.00 0.00 175.76 175.61 1bdl s LEU 23 N -2.25 4.49 -0.48 0.00 1.43 -0.56 -0.50 118.68 120.81 1bdl s LEU 23 Ca -0.03 1.37 -0.21 0.00 -1.03 0.00 0.00 54.13 54.23 1bdl s LEU 23 Cb 0.00 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 43.11 1bdl s LEU 23 CO -0.05 0.20 0.68 -0.22 0.23 0.00 0.00 176.35 177.19 1bdl s LEU 24 N -1.36 4.60 -0.30 1.79 2.96 -1.05 -0.57 118.68 124.75 1bdl s LEU 24 Ca 0.34 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1bdl s LEU 24 Cb -0.19 -2.65 0.08 0.00 0.50 0.00 0.00 46.19 43.93 1bdl s LEU 24 CO 0.21 -0.89 -0.01 -0.62 -1.32 0.00 0.00 176.35 173.73 1bdl s ASP 25 N 2.36 4.48 0.46 3.68 2.15 -0.17 -4.87 116.67 124.76 1bdl s ASP 25 Ca 0.21 -1.74 0.20 0.00 0.43 0.00 0.00 52.55 51.65 1bdl s ASP 25 Cb -0.16 -1.48 1.11 0.00 -0.30 0.00 0.00 42.92 42.09 1bdl s ASP 25 CO 0.17 -0.30 1.97 0.71 -0.17 0.00 0.00 175.17 177.55 1bdl h THR 26 N 6.66 0.91 -0.19 1.71 1.35 -1.95 -2.89 112.91 118.50 1bdl h THR 26 Ca -0.11 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1bdl h THR 26 Cb 1.03 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1bdl h THR 26 CO 0.48 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1bdl n GLY 27 N -0.69 0.84 3.10 5.82 0.00 -1.26 -4.77 105.19 108.23 1bdl n GLY 27 Ca -0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1bdl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdl s ALA 28 N -1.62 1.95 0.23 4.61 0.00 -1.09 -5.00 121.76 120.84 1bdl s ALA 28 Ca 0.15 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1bdl s ALA 28 Cb 0.09 -0.93 0.22 0.00 0.00 0.00 0.00 23.12 22.50 1bdl s ALA 28 CO 0.07 -0.10 1.53 -0.44 0.00 0.00 0.00 175.76 176.82 1bdl h ASP 29 N 7.47 0.07 -3.45 0.00 3.32 -1.88 -0.22 116.42 121.74 1bdl h ASP 29 Ca -0.33 -0.05 -0.66 0.00 0.02 0.00 0.00 57.03 56.01 1bdl h ASP 29 Cb 1.18 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1bdl h ASP 29 CO 0.53 0.74 -0.81 -1.81 -1.72 0.00 0.00 179.24 176.17 1bdl s ASP 30 N -6.85 3.66 -0.19 6.45 1.01 -1.26 -2.39 116.67 117.11 1bdl s ASP 30 Ca -0.02 -0.71 -0.19 0.00 0.71 0.00 0.00 52.55 52.34 1bdl s ASP 30 Cb 0.12 -0.40 -0.03 0.00 1.01 0.00 0.00 42.92 43.62 1bdl s ASP 30 CO 0.78 0.15 0.52 -0.44 0.21 0.00 0.00 175.17 176.39 1bdl s SER 31 N -2.43 6.59 -0.02 0.27 0.01 -1.26 -4.25 113.70 112.61 1bdl s SER 31 Ca 0.19 0.71 0.06 0.00 1.31 0.00 0.00 55.95 58.22 1bdl s SER 31 Cb -0.09 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1bdl s SER 31 CO 0.10 -0.16 -0.21 -0.51 0.41 0.00 0.00 173.24 172.87 1bdl s ILE 32 N 1.49 2.51 0.02 1.44 -1.16 -0.88 -0.74 121.20 123.89 1bdl s ILE 32 Ca 0.25 -1.01 0.03 0.00 -0.51 0.00 0.00 60.65 59.41 1bdl s ILE 32 Cb -0.15 -1.95 -0.01 0.00 0.61 0.00 0.00 42.46 40.95 1bdl s ILE 32 CO 0.10 0.53 -0.09 -0.69 -2.81 0.00 0.00 174.94 171.98 1bdl s VAL 33 N -0.71 0.72 0.58 4.00 1.01 0.11 -1.60 120.40 124.51 1bdl s VAL 33 Ca 0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 1bdl s VAL 33 Cb -0.10 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 35.75 1bdl s VAL 33 CO 0.01 -0.02 0.56 0.00 0.00 0.00 0.00 175.10 175.65 1bdl n ALA 34 N 2.26 -1.50 -1.95 5.51 0.00 -1.26 -1.32 120.51 122.25 1bdl n ALA 34 Ca -0.17 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.22 1bdl n ALA 34 Cb 0.56 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 1bdl n ALA 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bdl s GLY 35 N -3.65 -0.17 -0.21 0.00 0.00 -1.26 -4.57 107.32 97.45 1bdl s GLY 35 Ca 0.35 -1.94 -0.08 0.00 0.00 0.00 0.00 44.72 43.06 1bdl s GLY 35 CO 0.27 3.74 0.07 -0.42 0.00 0.00 0.00 173.10 176.76 1bdl s ILE 36 N 12.52 4.63 -0.30 0.90 1.01 -1.26 -5.04 121.20 133.65 1bdl s ILE 36 Ca 0.72 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 1bdl s ILE 36 Cb -0.02 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1bdl s ILE 36 CO 0.14 0.40 1.84 -1.61 0.00 0.00 0.00 174.94 175.71 1bdl s GLU 37 N 0.96 3.35 -0.06 2.79 2.02 -1.26 -4.98 118.70 121.52 1bdl s GLU 37 Ca 0.04 1.55 0.02 0.00 0.02 0.00 0.00 54.97 56.60 1bdl s GLU 37 Cb -0.14 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.86 1bdl s GLU 37 CO 0.03 -1.83 -0.11 -1.17 0.02 0.00 0.00 175.26 172.19 1bdl s LEU 38 N 6.92 2.92 -0.00 1.80 2.96 -1.26 -5.05 118.68 126.96 1bdl s LEU 38 Ca 0.82 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 54.44 1bdl s LEU 38 Cb -0.24 -1.61 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1bdl s LEU 38 CO 0.34 0.34 0.45 -2.16 -1.32 0.00 0.00 176.35 174.01 1bdl s PRO 39 N -0.72 4.05 0.00 0.98 0.04 -1.26 -5.00 135.00 133.10 1bdl s PRO 39 Ca 0.11 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1bdl s PRO 39 Cb -0.11 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1bdl s PRO 39 CO 0.01 0.60 0.00 0.41 0.04 0.00 0.00 177.00 178.06 1bdl n GLY 40 N 2.01 0.54 3.56 0.56 0.00 -1.26 -5.08 105.19 105.53 1bdl n GLY 40 Ca -0.12 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 1bdl n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bdl s ARG 41 N -1.43 2.02 0.01 1.61 0.52 -1.26 -5.16 118.95 115.25 1bdl s ARG 41 Ca 0.00 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 53.67 1bdl s ARG 41 Cb 0.00 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 1bdl s ARG 41 CO 0.00 0.36 0.00 1.67 0.02 0.00 0.00 175.30 177.36 1bdl s TRP 42 N -2.29 0.11 -0.12 -0.53 1.48 -1.26 -4.84 118.94 111.49 1bdl s TRP 42 Ca 0.30 -0.22 -0.04 0.00 -1.06 0.00 0.00 56.10 55.07 1bdl s TRP 42 Cb -0.06 -0.09 -0.04 0.00 -1.16 0.00 0.00 33.47 32.13 1bdl s TRP 42 CO 0.17 -0.11 0.03 0.15 -4.06 0.00 0.00 176.95 173.14 1bdl s LYS 43 N -0.73 3.32 0.28 3.25 1.02 -0.80 -4.89 119.74 121.18 1bdl s LYS 43 Ca -0.08 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1bdl s LYS 43 Cb -0.05 -2.96 -0.13 0.00 -0.52 0.00 0.00 37.83 34.17 1bdl s LYS 43 CO -0.00 0.59 1.26 -2.30 -0.92 0.00 0.00 175.35 173.98 1bdl n PRO 44 N 2.52 1.84 -3.64 -1.68 -0.02 -1.26 -1.12 135.00 131.64 1bdl n PRO 44 Ca -0.18 0.65 -0.05 0.00 -2.02 0.00 0.00 63.50 61.90 1bdl n PRO 44 Cb 0.53 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1bdl n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1bdl s LYS 45 N -1.12 0.20 -0.02 -0.52 2.20 -1.26 -4.86 119.74 114.36 1bdl s LYS 45 Ca 0.62 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1bdl s LYS 45 Cb -0.65 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1bdl s LYS 45 CO 0.56 -0.04 0.00 0.00 -0.36 0.00 0.00 175.35 175.51 1bdl s MET 46 N -0.42 0.15 0.22 4.03 0.23 -1.26 -2.04 119.30 120.21 1bdl s MET 46 Ca 0.06 0.05 0.09 0.00 -1.03 0.00 0.00 55.69 54.86 1bdl s MET 46 Cb -0.03 -0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 32.94 1bdl s MET 46 CO -0.09 -0.08 -0.04 0.96 -2.03 0.00 0.00 175.02 173.74 1bdl s ILE 47 N 0.62 3.36 0.04 3.16 -5.25 -0.87 -4.99 121.20 117.27 1bdl s ILE 47 Ca -0.06 -1.76 -0.28 0.00 -0.99 0.00 0.00 60.65 57.56 1bdl s ILE 47 Cb -0.08 -2.73 -0.05 0.00 2.95 0.00 0.00 42.46 42.55 1bdl s ILE 47 CO -0.01 -0.24 0.90 -0.83 -1.79 0.00 0.00 174.94 172.96 1bdl s GLY 48 N -3.25 2.89 0.34 6.27 0.00 -1.26 -3.32 107.32 108.99 1bdl s GLY 48 Ca 0.28 0.45 0.06 0.00 0.00 0.00 0.00 44.72 45.52 1bdl s GLY 48 CO 0.18 1.43 0.25 -0.32 0.00 0.00 0.00 173.10 174.63 1bdl s GLY 49 N 0.41 2.38 0.13 0.20 0.00 -0.25 -5.03 107.32 105.16 1bdl s GLY 49 Ca 0.46 -1.89 -0.20 0.00 0.00 0.00 0.00 44.72 43.08 1bdl s GLY 49 CO 0.26 -1.54 0.64 -0.26 0.00 0.00 0.00 173.10 172.21 1bdl s ILE 50 N -3.42 4.63 0.00 0.90 -4.36 -1.26 -3.70 121.20 114.00 1bdl s ILE 50 Ca 0.37 1.29 0.00 0.00 -0.26 0.00 0.00 60.65 62.05 1bdl s ILE 50 Cb 0.02 -3.92 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1bdl s ILE 50 CO 0.25 0.44 0.00 0.61 0.24 0.00 0.00 174.94 176.48 1bdl n GLY 51 N 1.37 2.03 0.00 6.27 0.00 -1.26 -4.89 105.19 108.71 1bdl n GLY 51 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1bdl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bdl n GLY 52 N 0.00 3.16 2.92 -0.02 0.00 -1.24 -5.18 105.19 104.83 1bdl n GLY 52 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1bdl n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bdl s PHE 53 N 0.63 0.23 0.05 1.61 0.08 -1.26 -1.09 117.98 118.23 1bdl s PHE 53 Ca 0.00 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1bdl s PHE 53 Cb 0.00 -0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.28 1bdl s PHE 53 CO 0.00 -0.02 -0.14 0.96 -0.10 0.00 0.00 175.22 175.92 1bdl s ILE 54 N -0.26 1.08 -0.00 0.64 -4.36 -1.21 -5.03 121.20 112.06 1bdl s ILE 54 Ca -0.01 -1.08 -0.17 0.00 -0.26 0.00 0.00 60.65 59.13 1bdl s ILE 54 Cb -0.02 -1.00 -0.06 0.00 1.25 0.00 0.00 42.46 42.63 1bdl s ILE 54 CO -0.00 -0.08 0.47 -0.75 0.24 0.00 0.00 174.94 174.82 1bdl s LYS 55 N -1.32 4.09 0.18 0.37 2.20 -1.26 -2.04 119.74 121.95 1bdl s LYS 55 Ca 0.00 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.15 1bdl s LYS 55 Cb -0.08 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1bdl s LYS 55 CO 0.02 0.57 0.07 1.33 -0.36 0.00 0.00 175.35 176.98 1bdl n VAL 56 N 2.16 0.00 -4.04 4.02 0.24 -0.86 -4.41 118.33 115.43 1bdl n VAL 56 Ca -0.11 -1.06 -0.31 0.00 -2.04 0.00 0.00 64.34 60.81 1bdl n VAL 56 Cb 0.52 0.40 -0.15 0.00 -1.47 0.00 0.00 33.84 33.13 1bdl n VAL 56 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bdl s ARG 57 N -2.68 1.87 -0.38 7.34 0.52 -1.14 -4.32 118.95 120.16 1bdl s ARG 57 Ca 0.10 -1.55 -0.28 0.00 -0.52 0.00 0.00 55.73 53.48 1bdl s ARG 57 Cb 0.00 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1bdl s ARG 57 CO 0.07 -0.73 1.86 -1.14 0.02 0.00 0.00 175.30 175.38 1bdl s GLN 58 N 1.04 3.13 -0.34 3.54 0.74 -0.28 -3.64 119.66 123.86 1bdl s GLN 58 Ca -0.00 1.31 -0.01 0.00 0.05 0.00 0.00 55.36 56.71 1bdl s GLN 58 Cb -0.19 -4.26 0.07 0.00 1.10 0.00 0.00 33.01 29.73 1bdl s GLN 58 CO -0.07 -2.10 0.06 0.71 -0.55 0.00 0.00 175.29 173.34 1bdl s TYR 59 N 7.63 3.41 0.28 1.67 2.02 -0.73 -1.91 117.35 129.73 1bdl s TYR 59 Ca 0.80 -2.16 -0.04 0.00 -0.37 0.00 0.00 57.07 55.30 1bdl s TYR 59 Cb -0.21 -2.52 -0.05 0.00 -0.40 0.00 0.00 41.96 38.79 1bdl s TYR 59 CO 0.31 -0.87 0.53 -0.51 -1.57 0.00 0.00 175.55 173.43 1bdl s ASP 60 N 1.38 6.42 -1.38 2.29 1.11 -1.26 -0.94 116.67 124.29 1bdl s ASP 60 Ca 0.00 0.64 -0.01 0.00 0.18 0.00 0.00 52.55 53.36 1bdl s ASP 60 Cb -0.21 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.68 1bdl s ASP 60 CO -0.03 -0.18 0.59 0.00 1.18 0.00 0.00 175.17 176.73 1bdl n GLN 61 N -0.96 -4.14 -4.62 8.23 6.02 -1.22 -4.94 117.38 115.74 1bdl n GLN 61 Ca -0.02 0.51 -0.33 0.00 -0.01 0.00 0.00 57.00 57.15 1bdl n GLN 61 Cb 0.54 -4.89 -0.11 0.00 1.02 0.00 0.00 30.24 26.80 1bdl n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bdl s ILE 62 N -3.77 3.54 0.15 5.09 -1.09 -1.16 -4.89 121.20 119.06 1bdl s ILE 62 Ca 0.07 -0.64 -0.16 0.00 -2.23 0.00 0.00 60.65 57.68 1bdl s ILE 62 Cb -0.03 -2.47 -0.07 0.00 -1.58 0.00 0.00 42.46 38.31 1bdl s ILE 62 CO 0.85 0.52 0.59 -0.22 -1.23 0.00 0.00 174.94 175.45 1bdl s LEU 63 N -1.01 4.37 -0.02 2.97 0.20 -1.26 -2.49 118.68 121.44 1bdl s LEU 63 Ca 0.14 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.14 1bdl s LEU 63 Cb -0.11 -3.27 0.03 0.00 -0.43 0.00 0.00 46.19 42.41 1bdl s LEU 63 CO 0.03 0.12 0.01 -0.63 -0.29 0.00 0.00 176.35 175.59 1bdl s ILE 64 N -1.42 0.08 -0.58 6.68 1.01 -0.55 -4.48 121.20 121.94 1bdl s ILE 64 Ca 0.37 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 1bdl s ILE 64 Cb -0.16 -0.19 0.15 0.00 0.01 0.00 0.00 42.46 42.27 1bdl s ILE 64 CO 0.19 0.12 0.47 -0.70 0.00 0.00 0.00 174.94 175.02 1bdl s GLU 65 N 0.99 2.79 -0.38 2.79 2.12 -0.18 -1.88 118.70 124.96 1bdl s GLU 65 Ca -0.09 -2.01 -0.20 0.00 0.36 0.00 0.00 54.97 53.03 1bdl s GLU 65 Cb -0.13 -4.05 0.01 0.00 0.26 0.00 0.00 34.13 30.22 1bdl s GLU 65 CO -0.02 -1.23 0.59 0.42 -0.54 0.00 0.00 175.26 174.48 1bdl s ILE 66 N 0.94 4.92 -1.33 -3.70 1.01 0.26 -2.03 121.20 121.28 1bdl s ILE 66 Ca 0.09 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 1bdl s ILE 66 Cb -0.23 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 1bdl s ILE 66 CO -0.02 -0.36 0.56 0.00 0.00 0.00 0.00 174.94 175.12 1bdl n GLY 68 N -1.83 0.76 3.54 0.00 0.00 -1.26 -4.94 105.19 101.47 1bdl n GLY 68 Ca -0.27 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1bdl n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bdl s HIS 69 N -1.70 3.13 -0.03 1.61 4.02 -0.42 -5.08 115.29 116.82 1bdl s HIS 69 Ca 0.00 -0.18 -0.20 0.00 1.02 0.00 0.00 55.06 55.71 1bdl s HIS 69 Cb 0.00 -2.06 -0.05 0.00 -1.02 0.00 0.00 32.58 29.45 1bdl s HIS 69 CO 0.00 -0.03 0.56 0.15 1.02 0.00 0.00 174.74 176.44 1bdl s LYS 70 N 0.62 4.29 0.06 1.40 1.02 -1.26 -0.57 119.74 125.29 1bdl s LYS 70 Ca 0.01 0.65 -0.06 0.00 0.02 0.00 0.00 55.97 56.59 1bdl s LYS 70 Cb -0.14 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1bdl s LYS 70 CO 0.02 0.35 0.12 0.00 -0.92 0.00 0.00 175.35 174.92 1bdl s ALA 71 N -0.09 -0.05 -0.05 5.17 0.00 -0.79 -4.87 121.76 121.09 1bdl s ALA 71 Ca 0.30 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1bdl s ALA 71 Cb -0.17 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1bdl s ALA 71 CO 0.16 -0.41 0.09 -1.50 0.00 0.00 0.00 175.76 174.09 1bdl s ILE 72 N -3.39 -0.13 0.13 0.00 2.07 -1.26 -1.48 121.20 117.13 1bdl s ILE 72 Ca 0.02 0.35 -0.06 0.00 -1.41 0.00 0.00 60.65 59.54 1bdl s ILE 72 Cb 0.03 -0.18 0.02 0.00 0.13 0.00 0.00 42.46 42.46 1bdl s ILE 72 CO -0.08 0.15 0.32 0.61 -1.91 0.00 0.00 174.94 174.03 1bdl n GLY 73 N 5.01 1.48 3.65 1.50 0.00 -1.04 -4.91 105.19 110.88 1bdl n GLY 73 Ca -0.10 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1bdl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bdl s THR 74 N -2.60 4.68 0.01 2.61 2.01 -1.26 -3.00 115.64 118.09 1bdl s THR 74 Ca 0.07 1.82 0.03 0.00 0.31 0.00 0.00 61.69 63.92 1bdl s THR 74 Cb -0.02 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1bdl s THR 74 CO 0.04 -0.23 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.01 1bdl s VAL 75 N 3.22 3.86 -0.00 3.82 1.01 -0.12 -4.23 120.40 127.95 1bdl s VAL 75 Ca 0.42 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1bdl s VAL 75 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1bdl s VAL 75 CO 0.09 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.59 1bdl s LEU 76 N -1.53 2.44 -0.06 3.92 1.43 0.08 -1.78 118.68 123.18 1bdl s LEU 76 Ca 0.18 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1bdl s LEU 76 Cb -0.11 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1bdl s LEU 76 CO 0.09 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 176.07 1bdl s VAL 77 N -0.77 2.47 -2.16 -1.59 1.01 -1.24 0.08 120.40 118.20 1bdl s VAL 77 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1bdl s VAL 77 Cb -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1bdl s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1bdl n GLY 78 N 2.72 -1.02 2.83 4.51 0.00 -0.43 -2.88 105.19 110.93 1bdl n GLY 78 Ca -0.17 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1bdl n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bdl n PRO 79 N 0.00 0.80 -3.68 1.61 -0.02 -1.26 -4.43 135.00 128.02 1bdl n PRO 79 Ca 0.00 -0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 60.28 1bdl n PRO 79 Cb 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 1bdl n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1bdl s THR 80 N 4.32 5.38 0.20 3.45 -1.32 -1.26 -4.95 115.64 121.46 1bdl s THR 80 Ca 0.15 0.32 -0.10 0.00 -1.21 0.00 0.00 61.69 60.84 1bdl s THR 80 Cb 0.04 -3.52 0.13 0.00 -1.51 0.00 0.00 72.50 67.64 1bdl s THR 80 CO -0.01 0.44 1.77 -0.65 -2.21 0.00 0.00 174.62 173.96 1bdl h PRO 81 N 6.50 0.48 -4.14 7.08 0.11 -2.02 -3.47 132.00 136.55 1bdl h PRO 81 Ca -0.42 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 1bdl h PRO 81 Cb 1.16 -0.11 -0.23 0.00 0.11 0.00 0.00 31.00 31.93 1bdl h PRO 81 CO 0.74 0.32 -0.72 0.08 -0.21 0.00 0.00 178.00 178.21 1bdl s VAL 82 N -6.10 0.25 0.21 3.15 1.01 -1.26 -5.11 120.40 112.55 1bdl s VAL 82 Ca -0.13 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1bdl s VAL 82 Cb 0.16 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 1bdl s VAL 82 CO 0.75 -0.30 1.32 0.20 0.00 0.00 0.00 175.10 177.07 1bdl s ASN 83 N -1.05 6.87 -0.04 3.32 0.01 -1.26 -4.93 114.94 117.86 1bdl s ASN 83 Ca -0.09 2.44 0.03 0.00 -0.71 0.00 0.00 52.86 54.53 1bdl s ASN 83 Cb -0.07 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1bdl s ASN 83 CO -0.00 -0.54 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.30 1bdl s ILE 84 N 0.00 1.02 -0.40 0.60 1.01 -0.63 -1.50 121.20 121.31 1bdl s ILE 84 Ca 0.56 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1bdl s ILE 84 Cb -0.37 -0.90 0.10 0.00 0.01 0.00 0.00 42.46 41.30 1bdl s ILE 84 CO 0.40 0.31 0.18 -0.63 0.00 0.00 0.00 174.94 175.20 1bdl s ILE 85 N 0.26 3.23 0.66 2.92 -1.09 0.26 -2.07 121.20 125.37 1bdl s ILE 85 Ca -0.06 -2.01 0.04 0.00 -2.23 0.00 0.00 60.65 56.40 1bdl s ILE 85 Cb -0.11 -3.19 0.12 0.00 -1.58 0.00 0.00 42.46 37.70 1bdl s ILE 85 CO 0.01 -0.64 0.90 0.61 -1.23 0.00 0.00 174.94 174.60 1bdl n GLY 86 N 4.58 1.24 0.27 6.18 0.00 -1.26 -1.00 105.19 115.20 1bdl n GLY 86 Ca -0.03 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.92 1bdl n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bdl h ARG 87 N 0.00 0.13 0.00 1.61 3.08 -1.12 -1.13 114.38 116.94 1bdl h ARG 87 Ca -0.30 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1bdl h ARG 87 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1bdl h ARG 87 CO 0.37 0.08 0.30 -2.95 -1.07 0.00 0.00 179.97 176.70 1bdl h ASN 88 N 0.13 0.00 0.00 7.04 -1.07 -1.74 -1.81 115.58 118.14 1bdl h ASN 88 Ca 0.39 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.64 1bdl h ASN 88 Cb 0.68 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.91 1bdl h ASN 88 CO -0.61 0.00 -1.47 0.18 0.07 0.00 0.00 177.43 175.60 1bdl n LEU 89 N -2.74 1.29 -0.28 6.14 4.77 -0.79 -4.67 117.00 120.71 1bdl n LEU 89 Ca -0.02 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1bdl n LEU 89 Cb 0.35 -0.03 0.40 0.00 -2.33 0.00 0.00 43.42 41.80 1bdl n LEU 89 CO 0.12 0.37 1.22 -0.07 -1.33 0.00 0.00 177.39 177.70 1bdl h LEU 90 N 0.00 0.62 -0.00 2.23 3.38 -0.36 0.50 115.31 121.67 1bdl h LEU 90 Ca -0.18 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1bdl h LEU 90 Cb 1.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1bdl h LEU 90 CO -0.01 0.28 0.00 0.71 0.09 0.00 0.00 178.44 179.51 1bdl h THR 91 N 0.64 0.00 -0.03 0.22 1.35 -1.76 -1.82 112.91 111.50 1bdl h THR 91 Ca 0.49 -0.82 -0.15 0.00 -0.55 0.00 0.00 66.41 65.37 1bdl h THR 91 Cb 0.89 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1bdl h THR 91 CO -0.24 0.00 -0.68 1.56 -0.25 0.00 0.00 175.52 175.92 1bdl h GLN 92 N 0.00 0.15 0.00 4.72 4.20 -1.17 -2.60 115.11 120.41 1bdl h GLN 92 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1bdl h GLN 92 Cb 0.91 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1bdl h GLN 92 CO 0.00 0.77 -0.38 0.44 -0.67 0.00 0.00 178.83 178.98 1bdl n ILE 93 N -3.79 0.01 -0.61 2.54 -5.35 -1.13 -4.95 119.36 106.09 1bdl n ILE 93 Ca -0.02 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1bdl n ILE 93 Cb 0.67 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 1bdl n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bdl n GLY 94 N 1.49 1.25 3.74 3.28 0.00 -0.98 -5.09 105.19 108.88 1bdl n GLY 94 Ca 0.06 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1bdl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdl s THR 96 N 0.09 1.29 -0.28 0.00 -4.23 -1.26 -4.77 115.64 106.48 1bdl s THR 96 Ca 0.38 -1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 1bdl s THR 96 Cb -0.20 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 1bdl s THR 96 CO 0.22 -0.29 0.10 -0.22 -0.54 0.00 0.00 174.62 173.89 1bdl s LEU 97 N -2.08 3.77 0.06 4.79 2.96 -1.26 -5.07 118.68 121.85 1bdl s LEU 97 Ca 0.04 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1bdl s LEU 97 Cb -0.08 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1bdl s LEU 97 CO 0.03 -0.12 -0.14 0.20 -1.32 0.00 0.00 176.35 175.00 1bdl s ASN 98 N 1.60 4.14 0.00 3.68 0.02 -1.26 -5.30 114.94 117.81 1bdl s ASN 98 Ca 0.05 -0.38 0.00 0.00 -1.02 0.00 0.00 52.86 51.51 1bdl s ASN 98 Cb -0.16 -0.76 0.00 0.00 0.02 0.00 0.00 41.25 40.35 1bdl s ASN 98 CO 0.04 0.23 0.00 2.22 0.02 0.00 0.00 177.10 179.61