#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ft9 s GLN 3 N 0.00 0.72 -0.01 1.45 -1.52 0.36 -5.01 119.66 115.65 3ft9 s GLN 3 Ca 0.00 -0.31 0.01 0.00 -1.95 0.00 0.00 55.36 53.11 3ft9 s GLN 3 Cb 0.00 -0.69 0.01 0.00 -0.22 0.00 0.00 33.01 32.11 3ft9 s GLN 3 CO 0.00 0.18 -0.01 0.14 -0.25 0.00 0.00 175.29 175.35 3ft9 s VAL 4 N -0.17 0.15 0.23 1.09 -7.23 -1.26 -1.53 120.40 111.67 3ft9 s VAL 4 Ca 0.03 -0.01 0.12 0.00 -1.81 0.00 0.00 61.98 60.31 3ft9 s VAL 4 Cb -0.04 -0.18 -0.05 0.00 0.56 0.00 0.00 36.38 36.68 3ft9 s VAL 4 CO -0.00 0.08 -0.22 0.42 -0.31 0.00 0.00 175.10 175.07 3ft9 s THR 5 N 0.38 2.40 -0.12 5.32 -4.23 -0.93 -4.20 115.64 114.26 3ft9 s THR 5 Ca -0.03 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.27 3ft9 s THR 5 Cb -0.06 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.62 3ft9 s THR 5 CO -0.01 -0.24 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.43 3ft9 s PHE 6 N -2.05 1.27 -0.22 3.99 0.08 0.03 -1.21 117.98 119.88 3ft9 s PHE 6 Ca 0.25 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.56 3ft9 s PHE 6 Cb -0.07 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 3ft9 s PHE 6 CO 0.12 -0.49 0.07 0.99 -0.10 0.00 0.00 175.22 175.81 3ft9 s THR 7 N 1.78 4.62 0.07 0.64 2.01 -0.30 -0.31 115.64 124.15 3ft9 s THR 7 Ca 0.04 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.65 3ft9 s THR 7 Cb -0.13 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 3ft9 s THR 7 CO -0.07 0.39 1.52 -0.69 -0.69 0.00 0.00 174.62 175.08 3ft9 s VAL 8 N 0.97 3.24 0.05 3.82 1.01 -0.71 -1.47 120.40 127.32 3ft9 s VAL 8 Ca 0.04 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 3ft9 s VAL 8 Cb -0.14 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3ft9 s VAL 8 CO 0.03 0.02 0.31 -1.10 0.00 0.00 0.00 175.10 174.36 3ft9 s GLN 9 N 2.12 3.62 0.24 2.72 -1.52 0.15 0.16 119.66 127.15 3ft9 s GLN 9 Ca 0.69 -0.05 -0.30 0.00 -1.95 0.00 0.00 55.36 53.75 3ft9 s GLN 9 Cb -0.37 -3.02 -0.15 0.00 -0.22 0.00 0.00 33.01 29.25 3ft9 s GLN 9 CO 0.30 0.60 1.08 1.63 -0.25 0.00 0.00 175.29 178.64 3ft9 n LYS 10 N 0.84 1.30 0.00 2.91 5.02 -1.26 -1.27 118.16 125.70 3ft9 n LYS 10 Ca -0.09 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 3ft9 n LYS 10 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3ft9 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ft9 n GLY 11 N 1.57 2.93 3.80 0.72 0.00 -1.26 -4.98 105.19 107.97 3ft9 n GLY 11 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3ft9 n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ft9 s SER 12 N -1.43 5.65 0.34 1.61 0.01 -0.39 -4.82 113.70 114.67 3ft9 s SER 12 Ca 0.00 1.81 -0.08 0.00 1.31 0.00 0.00 55.95 58.99 3ft9 s SER 12 Cb 0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 3ft9 s SER 12 CO 0.00 -1.26 0.58 -0.90 0.41 0.00 0.00 173.24 172.07 3ft9 n ASP 13 N -2.23 -1.66 0.33 2.44 5.68 0.46 -4.98 116.55 116.59 3ft9 n ASP 13 Ca 0.09 -2.58 0.20 0.00 -0.50 0.00 0.00 54.79 52.00 3ft9 n ASP 13 Cb 0.53 2.90 1.10 0.00 -1.14 0.00 0.00 41.12 44.50 3ft9 n ASP 13 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3ft9 h PRO 14 N 0.00 0.00 -0.19 0.11 0.11 -1.97 -1.50 132.00 128.55 3ft9 h PRO 14 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ft9 h PRO 14 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ft9 h PRO 14 CO 0.36 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.78 3ft9 n LYS 15 N -3.13 1.74 -3.50 1.05 5.02 -1.26 -0.45 118.16 117.63 3ft9 n LYS 15 Ca -0.03 -1.69 -0.10 0.00 -2.02 0.00 0.00 58.31 54.48 3ft9 n LYS 15 Cb 0.15 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 33.78 3ft9 n LYS 15 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ft9 s LYS 16 N -1.09 0.31 -0.16 1.97 2.20 -0.57 0.11 119.74 122.52 3ft9 s LYS 16 Ca 0.22 0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 56.50 3ft9 s LYS 16 Cb 0.13 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 3ft9 s LYS 16 CO 0.18 -0.46 0.04 -0.51 -0.36 0.00 0.00 175.35 174.24 3ft9 s LEU 17 N 2.55 3.72 -0.14 5.43 1.43 -0.58 -0.40 118.68 130.69 3ft9 s LEU 17 Ca 0.06 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3ft9 s LEU 17 Cb -0.14 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3ft9 s LEU 17 CO -0.14 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.75 3ft9 s VAL 18 N 0.15 1.99 -0.05 -1.59 1.01 -1.26 -2.43 120.40 118.22 3ft9 s VAL 18 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3ft9 s VAL 18 Cb -0.13 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3ft9 s VAL 18 CO 0.01 0.53 -0.10 -0.76 0.00 0.00 0.00 175.10 174.79 3ft9 s LEU 19 N 0.90 1.61 -0.32 3.92 1.43 -0.72 0.32 118.68 125.83 3ft9 s LEU 19 Ca -0.05 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 3ft9 s LEU 19 Cb -0.15 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 3ft9 s LEU 19 CO -0.03 0.02 0.62 -0.62 0.23 0.00 0.00 176.35 176.57 3ft9 s ASP 20 N 0.57 6.46 -0.25 2.29 2.15 -0.54 -0.44 116.67 126.92 3ft9 s ASP 20 Ca -0.10 0.32 -0.04 0.00 0.43 0.00 0.00 52.55 53.16 3ft9 s ASP 20 Cb -0.13 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 3ft9 s ASP 20 CO 0.02 -0.51 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.85 3ft9 s ILE 21 N 2.62 3.28 -0.31 4.11 1.01 -1.26 -1.15 121.20 129.50 3ft9 s ILE 21 Ca 0.24 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 3ft9 s ILE 21 Cb -0.15 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3ft9 s ILE 21 CO 0.13 0.26 0.19 -0.54 0.00 0.00 0.00 174.94 174.98 3ft9 s LYS 22 N 1.42 3.55 -0.35 2.79 -0.14 -0.35 -4.97 119.74 121.70 3ft9 s LYS 22 Ca 0.03 -0.59 -0.01 0.00 -1.36 0.00 0.00 55.97 54.04 3ft9 s LYS 22 Cb -0.16 -3.66 0.08 0.00 -1.68 0.00 0.00 37.83 32.41 3ft9 s LYS 22 CO -0.03 -0.36 0.09 -0.47 -0.76 0.00 0.00 175.35 173.82 3ft9 s TYR 23 N 1.69 3.48 -0.26 3.18 5.04 -1.26 -2.18 117.35 127.04 3ft9 s TYR 23 Ca 0.06 -2.29 -0.13 0.00 -2.44 0.00 0.00 57.07 52.26 3ft9 s TYR 23 Cb -0.17 -2.71 -0.04 0.00 0.35 0.00 0.00 41.96 39.39 3ft9 s TYR 23 CO 0.09 -0.90 0.28 0.99 -1.34 0.00 0.00 175.55 174.67 3ft9 s THR 24 N 1.15 5.25 -0.32 4.34 2.01 -0.58 -4.77 115.64 122.72 3ft9 s THR 24 Ca 0.03 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.45 3ft9 s THR 24 Cb -0.21 -3.62 0.16 0.00 0.01 0.00 0.00 72.50 68.84 3ft9 s THR 24 CO -0.04 0.23 0.39 -0.60 -0.69 0.00 0.00 174.62 173.91 3ft9 s ARG 25 N 1.73 0.48 -0.07 4.92 3.52 -1.26 -0.48 118.95 127.78 3ft9 s ARG 25 Ca 0.12 -0.21 -0.39 0.00 -0.13 0.00 0.00 55.73 55.11 3ft9 s ARG 25 Cb -0.15 -0.46 -0.18 0.00 -1.56 0.00 0.00 34.95 32.59 3ft9 s ARG 25 CO 0.09 -1.09 1.38 -2.30 -0.81 0.00 0.00 175.30 172.57 3ft9 n PRO 26 N 5.00 0.72 -0.62 5.12 -0.02 -1.26 -1.85 135.00 142.08 3ft9 n PRO 26 Ca 0.03 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ft9 n PRO 26 Cb 0.48 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3ft9 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ft9 n GLY 27 N 2.75 0.91 3.28 -1.23 0.00 -1.26 -5.00 105.19 104.64 3ft9 n GLY 27 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 3ft9 n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ft9 s ASP 28 N -3.02 1.49 0.24 1.61 -1.08 -0.77 -4.95 116.67 110.19 3ft9 s ASP 28 Ca 0.00 -1.71 -0.21 0.00 -0.52 0.00 0.00 52.55 50.11 3ft9 s ASP 28 Cb 0.00 0.53 0.06 0.00 -1.46 0.00 0.00 42.92 42.05 3ft9 s ASP 28 CO 0.00 -1.03 0.90 -0.94 0.52 0.00 0.00 175.17 174.62 3ft9 s SER 29 N -3.35 -0.09 0.33 -0.34 1.04 -1.26 -4.58 113.70 105.45 3ft9 s SER 29 Ca 0.40 -0.70 -0.27 0.00 0.48 0.00 0.00 55.95 55.87 3ft9 s SER 29 Cb 0.03 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.68 3ft9 s SER 29 CO 0.26 -1.20 1.02 -0.22 0.98 0.00 0.00 173.24 174.07 3ft9 s LEU 30 N -3.10 4.35 0.00 2.42 2.96 -1.26 0.13 118.68 124.18 3ft9 s LEU 30 Ca 0.15 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 3ft9 s LEU 30 Cb -0.03 -3.94 0.00 0.00 0.50 0.00 0.00 46.19 42.72 3ft9 s LEU 30 CO 0.06 -0.22 0.00 0.00 -1.32 0.00 0.00 176.35 174.87 3ft9 n ALA 31 N 0.58 2.16 -2.93 5.97 0.00 0.19 -4.39 120.51 122.08 3ft9 n ALA 31 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 3ft9 n ALA 31 Cb 0.48 0.48 -0.10 0.00 0.00 0.00 0.00 19.45 20.32 3ft9 n ALA 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ft9 s GLU 32 N -1.97 0.54 -0.00 0.00 2.02 -0.37 -4.99 118.70 113.93 3ft9 s GLU 32 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.43 3ft9 s GLU 32 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.45 3ft9 s GLU 32 CO 0.00 -0.13 0.00 0.08 0.02 0.00 0.00 175.26 175.23 3ft9 s VAL 33 N -1.97 0.01 0.06 2.63 1.01 -1.26 -1.48 120.40 119.41 3ft9 s VAL 33 Ca -0.10 0.01 0.06 0.00 0.00 0.00 0.00 61.98 61.95 3ft9 s VAL 33 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 3ft9 s VAL 33 CO -0.01 0.02 -0.16 -1.61 0.00 0.00 0.00 175.10 173.33 3ft9 s GLU 34 N 0.11 0.96 -0.01 2.72 2.02 0.32 -0.92 118.70 123.90 3ft9 s GLU 34 Ca -0.01 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 3ft9 s GLU 34 Cb -0.01 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 3ft9 s GLU 34 CO -0.00 0.24 0.08 -1.17 0.02 0.00 0.00 175.26 174.43 3ft9 s LEU 35 N -1.53 3.89 -0.11 1.80 0.20 0.40 -1.41 118.68 121.92 3ft9 s LEU 35 Ca 0.02 0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.00 3ft9 s LEU 35 Cb -0.09 -2.23 0.02 0.00 -0.43 0.00 0.00 46.19 43.45 3ft9 s LEU 35 CO 0.02 0.28 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.62 3ft9 s ARG 36 N -1.66 2.20 0.71 1.98 3.52 -0.02 -0.15 118.95 125.53 3ft9 s ARG 36 Ca 0.22 -0.55 -0.12 0.00 -0.13 0.00 0.00 55.73 55.15 3ft9 s ARG 36 Cb -0.12 -1.91 0.02 0.00 -1.56 0.00 0.00 34.95 31.39 3ft9 s ARG 36 CO 0.13 -0.10 1.09 -0.65 -0.81 0.00 0.00 175.30 174.96 3ft9 s GLN 37 N 1.08 2.65 0.12 5.12 -0.21 -1.26 -2.21 119.66 124.95 3ft9 s GLN 37 Ca -0.05 1.21 -0.33 0.00 0.02 0.00 0.00 55.36 56.21 3ft9 s GLN 37 Cb -0.14 -1.94 -0.13 0.00 1.00 0.00 0.00 33.01 31.79 3ft9 s GLN 37 CO -0.03 -1.34 1.67 1.58 -2.12 0.00 0.00 175.29 175.04 3ft9 n HIS 38 N -2.95 2.37 -1.88 0.91 -0.00 -0.22 -1.59 115.22 111.87 3ft9 n HIS 38 Ca 0.09 0.16 -0.14 0.00 -0.00 0.00 0.00 57.72 57.83 3ft9 n HIS 38 Cb 0.53 -2.60 -0.03 0.00 -0.00 0.00 0.00 29.99 27.89 3ft9 n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ft9 n GLY 39 N 3.72 0.55 3.40 1.57 0.00 -1.26 -4.91 105.19 108.25 3ft9 n GLY 39 Ca 0.18 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3ft9 n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ft9 s SER 40 N -2.59 3.28 -0.03 1.61 0.15 -0.62 -5.06 113.70 110.45 3ft9 s SER 40 Ca 0.00 -0.85 0.22 0.00 0.70 0.00 0.00 55.95 56.02 3ft9 s SER 40 Cb 0.00 -0.23 -0.30 0.00 -1.71 0.00 0.00 66.02 63.77 3ft9 s SER 40 CO 0.00 0.10 0.49 -1.84 1.20 0.00 0.00 173.24 173.20 3ft9 n GLU 41 N 0.38 0.66 -2.82 5.44 0.00 -1.26 -4.73 120.64 118.30 3ft9 n GLU 41 Ca -0.14 -0.15 -0.40 0.00 0.00 0.00 0.00 57.16 56.47 3ft9 n GLU 41 Cb 0.56 -1.55 -0.06 0.00 0.00 0.00 0.00 31.44 30.39 3ft9 n GLU 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3ft9 s GLU 42 N -3.41 4.72 -0.25 3.44 8.01 -1.26 -5.04 118.70 124.90 3ft9 s GLU 42 Ca -0.08 1.36 -0.26 0.00 0.01 0.00 0.00 54.97 56.01 3ft9 s GLU 42 Cb 0.13 -3.31 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 3ft9 s GLU 42 CO 0.89 0.44 0.89 -1.58 0.01 0.00 0.00 175.26 175.92 3ft9 s TRP 43 N -0.80 3.29 -0.39 1.61 0.52 -1.26 -4.44 118.94 117.48 3ft9 s TRP 43 Ca 0.41 1.19 -0.10 0.00 0.02 0.00 0.00 56.10 57.61 3ft9 s TRP 43 Cb -0.24 -3.17 0.04 0.00 -1.15 0.00 0.00 33.47 28.96 3ft9 s TRP 43 CO 0.29 -0.46 0.22 -1.21 0.02 0.00 0.00 176.95 175.81 3ft9 s GLU 44 N 3.00 2.75 0.31 4.98 2.02 0.79 -4.91 118.70 127.64 3ft9 s GLU 44 Ca 0.38 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 3ft9 s GLU 44 Cb -0.15 -3.74 -0.13 0.00 0.10 0.00 0.00 34.13 30.21 3ft9 s GLU 44 CO 0.08 -0.78 1.25 -2.30 0.02 0.00 0.00 175.26 173.53 3ft9 n PRO 45 N 4.97 1.95 -3.28 0.39 -0.02 -1.26 -0.45 135.00 137.29 3ft9 n PRO 45 Ca -0.11 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 3ft9 n PRO 45 Cb 0.45 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3ft9 n PRO 45 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ft9 s LEU 46 N -0.54 4.22 -0.09 2.45 1.02 -0.10 -4.72 118.68 120.92 3ft9 s LEU 46 Ca 0.58 1.13 0.00 0.00 0.02 0.00 0.00 54.13 55.86 3ft9 s LEU 46 Cb -0.61 -3.64 -0.03 0.00 0.02 0.00 0.00 46.19 41.93 3ft9 s LEU 46 CO 0.60 -0.04 -0.08 -0.89 0.02 0.00 0.00 176.35 175.96 3ft9 s THR 47 N -1.71 3.58 -0.17 5.49 2.01 0.49 -4.63 115.64 120.70 3ft9 s THR 47 Ca 0.46 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 3ft9 s THR 47 Cb -0.13 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 3ft9 s THR 47 CO 0.20 0.57 1.11 -0.75 -0.69 0.00 0.00 174.62 175.05 3ft9 s LYS 48 N -0.45 4.30 -0.33 4.92 2.20 -1.26 0.02 119.74 129.14 3ft9 s LYS 48 Ca 0.06 1.48 0.04 0.00 -0.36 0.00 0.00 55.97 57.19 3ft9 s LYS 48 Cb -0.12 -3.64 0.10 0.00 -1.51 0.00 0.00 37.83 32.65 3ft9 s LYS 48 CO 0.02 -0.56 0.04 0.15 -0.36 0.00 0.00 175.35 174.64 3ft9 s LYS 49 N 2.91 1.51 6.64 4.03 -0.14 0.87 -4.94 119.74 130.62 3ft9 s LYS 49 Ca 0.49 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 3ft9 s LYS 49 Cb -0.18 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 3ft9 s LYS 49 CO 0.12 -0.91 0.00 0.41 -0.76 0.00 0.00 175.35 174.21 3ft9 n GLY 50 N 4.29 1.70 0.17 -3.33 0.00 -1.26 -2.89 105.19 103.86 3ft9 n GLY 50 Ca 0.02 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.48 3ft9 n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ft9 n ASN 51 N 7.52 2.34 -4.70 1.61 6.94 -1.26 -5.02 115.26 122.68 3ft9 n ASN 51 Ca 0.00 -2.33 -0.29 0.00 -0.02 0.00 0.00 54.58 51.94 3ft9 n ASN 51 Cb 0.00 -0.17 -0.09 0.00 -2.36 0.00 0.00 39.78 37.16 3ft9 n ASN 51 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3ft9 s VAL 52 N -1.57 1.78 -0.02 3.53 -7.23 -1.14 -4.73 120.40 111.02 3ft9 s VAL 52 Ca 0.14 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3ft9 s VAL 52 Cb 0.11 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 3ft9 s VAL 52 CO 0.04 0.00 -0.21 0.26 -0.31 0.00 0.00 175.10 174.88 3ft9 s TRP 53 N -2.74 1.84 0.03 2.82 0.52 0.42 -0.09 118.94 121.73 3ft9 s TRP 53 Ca 0.27 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 56.06 3ft9 s TRP 53 Cb 0.06 -1.19 -0.02 0.00 -1.15 0.00 0.00 33.47 31.17 3ft9 s TRP 53 CO 0.14 -0.03 -0.07 -2.00 0.02 0.00 0.00 176.95 175.01 3ft9 s GLU 54 N -0.47 0.51 -0.03 4.98 2.12 0.10 -1.75 118.70 124.15 3ft9 s GLU 54 Ca 0.08 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.87 3ft9 s GLU 54 Cb -0.08 -0.36 0.01 0.00 0.26 0.00 0.00 34.13 33.96 3ft9 s GLU 54 CO -0.01 0.08 -0.04 0.54 -0.54 0.00 0.00 175.26 175.29 3ft9 s VAL 55 N -0.90 0.46 0.15 3.70 0.11 -1.02 -0.38 120.40 122.52 3ft9 s VAL 55 Ca -0.05 -0.13 0.09 0.00 -2.93 0.00 0.00 61.98 58.96 3ft9 s VAL 55 Cb -0.07 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3ft9 s VAL 55 CO 0.00 0.18 -0.16 -1.59 -3.33 0.00 0.00 175.10 170.21 3ft9 s LYS 56 N 0.57 1.85 0.05 1.54 -2.85 -1.26 -1.53 119.74 118.11 3ft9 s LYS 56 Ca -0.07 -1.25 0.04 0.00 -1.00 0.00 0.00 55.97 53.69 3ft9 s LYS 56 Cb -0.10 -2.10 -0.03 0.00 -2.06 0.00 0.00 37.83 33.54 3ft9 s LYS 56 CO -0.00 0.45 -0.12 0.45 0.10 0.00 0.00 175.35 176.23 3ft9 s SER 57 N -2.44 1.38 0.35 0.03 0.15 0.12 -4.98 113.70 108.30 3ft9 s SER 57 Ca 0.21 -0.54 0.16 0.00 0.70 0.00 0.00 55.95 56.48 3ft9 s SER 57 Cb -0.10 -0.03 0.59 0.00 -1.71 0.00 0.00 66.02 64.77 3ft9 s SER 57 CO 0.12 -0.09 1.70 0.77 1.20 0.00 0.00 173.24 176.94 3ft9 h SER 58 N 4.55 0.00 -1.96 5.45 4.64 -2.00 -3.45 113.55 120.77 3ft9 h SER 58 Ca -0.38 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.43 3ft9 h SER 58 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3ft9 h SER 58 CO 0.41 0.44 -0.50 -0.54 -0.87 0.00 0.00 176.83 175.78 3ft9 s LYS 59 N -3.63 2.66 0.57 4.77 -0.14 -1.26 -5.08 119.74 117.62 3ft9 s LYS 59 Ca -0.00 -1.30 -0.20 0.00 -1.36 0.00 0.00 55.97 53.10 3ft9 s LYS 59 Cb 0.12 -2.41 -0.06 0.00 -1.68 0.00 0.00 37.83 33.80 3ft9 s LYS 59 CO 0.71 0.19 1.01 -2.30 -0.76 0.00 0.00 175.35 174.19 3ft9 n PRO 60 N -1.25 1.06 -2.91 -1.68 -0.02 -1.26 -4.60 135.00 124.34 3ft9 n PRO 60 Ca -0.04 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 3ft9 n PRO 60 Cb 0.60 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3ft9 n PRO 60 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ft9 s LEU 61 N -1.89 4.52 -0.21 2.45 1.43 0.40 -4.94 118.68 120.45 3ft9 s LEU 61 Ca 0.73 1.72 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 3ft9 s LEU 61 Cb -0.44 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 3ft9 s LEU 61 CO 0.49 0.12 -0.03 -0.69 0.23 0.00 0.00 176.35 176.47 3ft9 s VAL 62 N -1.30 3.61 0.00 -1.59 1.01 -1.26 -4.97 120.40 115.89 3ft9 s VAL 62 Ca 0.41 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3ft9 s VAL 62 Cb -0.22 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3ft9 s VAL 62 CO 0.26 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3ft9 n GLY 63 N 4.47 3.36 3.73 4.51 0.00 -1.26 -1.05 105.19 118.96 3ft9 n GLY 63 Ca -0.18 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 3ft9 n GLY 63 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ft9 s PRO 64 N -0.41 2.07 -0.08 1.61 0.02 -1.26 -4.48 135.00 132.47 3ft9 s PRO 64 Ca 0.00 1.48 -0.06 0.00 0.02 0.00 0.00 61.00 62.44 3ft9 s PRO 64 Cb 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 3ft9 s PRO 64 CO 0.00 -1.83 0.16 -0.06 -0.33 0.00 0.00 177.00 174.94 3ft9 s PHE 65 N -2.45 3.59 0.20 6.54 0.08 0.15 -3.69 117.98 122.39 3ft9 s PHE 65 Ca 0.68 0.50 0.05 0.00 0.12 0.00 0.00 56.93 58.27 3ft9 s PHE 65 Cb -0.23 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 3ft9 s PHE 65 CO 0.50 0.71 0.21 -0.80 -0.10 0.00 0.00 175.22 175.74 3ft9 s ASN 66 N -1.30 5.77 0.02 1.36 0.01 -0.94 -0.87 114.94 118.99 3ft9 s ASN 66 Ca 0.19 -0.08 0.02 0.00 -0.71 0.00 0.00 52.86 52.27 3ft9 s ASN 66 Cb -0.12 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.95 3ft9 s ASN 66 CO 0.09 0.02 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.27 3ft9 s PHE 67 N -1.88 0.54 -0.02 2.20 0.08 -0.15 -0.84 117.98 117.91 3ft9 s PHE 67 Ca 0.32 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.15 3ft9 s PHE 67 Cb -0.09 -0.34 -0.01 0.00 -0.57 0.00 0.00 43.02 42.01 3ft9 s PHE 67 CO 0.25 -0.04 -0.15 0.50 -0.10 0.00 0.00 175.22 175.68 3ft9 s ARG 68 N -0.77 1.31 0.11 0.44 3.52 -0.50 -0.24 118.95 122.82 3ft9 s ARG 68 Ca -0.03 -0.54 0.09 0.00 -0.13 0.00 0.00 55.73 55.12 3ft9 s ARG 68 Cb -0.06 -1.24 -0.04 0.00 -1.56 0.00 0.00 34.95 32.06 3ft9 s ARG 68 CO 0.00 0.30 -0.23 -0.06 -0.81 0.00 0.00 175.30 174.50 3ft9 s PHE 69 N -0.27 2.01 -0.11 5.12 0.08 -0.38 -0.52 117.98 123.91 3ft9 s PHE 69 Ca 0.04 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.69 3ft9 s PHE 69 Cb -0.07 -1.10 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 3ft9 s PHE 69 CO -0.00 0.25 -0.10 1.41 -0.10 0.00 0.00 175.22 176.68 3ft9 s MET 70 N -1.92 1.76 0.59 0.44 -2.45 -0.55 -1.92 119.30 115.25 3ft9 s MET 70 Ca 0.10 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 54.08 3ft9 s MET 70 Cb -0.10 -1.67 -0.03 0.00 1.25 0.00 0.00 34.83 34.28 3ft9 s MET 70 CO 0.05 -0.19 0.97 -1.54 1.05 0.00 0.00 175.02 175.35 3ft9 s SER 71 N 1.42 6.09 0.52 1.11 1.04 -0.03 -0.64 113.70 123.22 3ft9 s SER 71 Ca 0.01 1.20 0.17 0.00 0.48 0.00 0.00 55.95 57.81 3ft9 s SER 71 Cb -0.13 -2.29 1.28 0.00 0.10 0.00 0.00 66.02 64.98 3ft9 s SER 71 CO -0.06 -0.87 2.13 0.11 0.98 0.00 0.00 173.24 175.53 3ft9 h LYS 72 N -0.21 0.00 0.00 4.02 1.57 0.86 -1.45 116.57 121.37 3ft9 h LYS 72 Ca -0.45 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ft9 h LYS 72 Cb 1.21 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ft9 h LYS 72 CO 0.62 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.91 3ft9 n GLY 73 N -1.55 -1.03 0.26 3.86 0.00 -1.26 -4.89 105.19 100.57 3ft9 n GLY 73 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ft9 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ft9 n GLY 74 N -0.17 0.78 3.71 -0.02 0.00 -0.55 -5.06 105.19 103.87 3ft9 n GLY 74 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3ft9 n GLY 74 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ft9 s MET 75 N -0.89 4.39 -0.10 1.61 -1.94 -1.26 -4.84 119.30 116.26 3ft9 s MET 75 Ca 0.00 0.83 0.02 0.00 -1.71 0.00 0.00 55.69 54.83 3ft9 s MET 75 Cb 0.00 -3.47 -0.01 0.00 2.01 0.00 0.00 34.83 33.35 3ft9 s MET 75 CO 0.00 0.00 -0.17 0.50 -0.01 0.00 0.00 175.02 175.34 3ft9 s ARG 76 N 1.04 3.08 0.12 2.03 6.06 -1.26 -0.85 118.95 129.17 3ft9 s ARG 76 Ca 0.36 -0.75 0.06 0.00 -2.50 0.00 0.00 55.73 52.89 3ft9 s ARG 76 Cb -0.17 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.33 3ft9 s ARG 76 CO 0.16 0.29 -0.14 -0.80 -2.50 0.00 0.00 175.30 172.31 3ft9 s ASN 77 N 0.12 1.92 -0.08 -2.12 -0.87 -0.81 -4.96 114.94 108.16 3ft9 s ASN 77 Ca -0.08 -0.81 0.02 0.00 -1.57 0.00 0.00 52.86 50.41 3ft9 s ASN 77 Cb -0.15 -0.06 0.02 0.00 -0.02 0.00 0.00 41.25 41.03 3ft9 s ASN 77 CO 0.05 -0.16 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.62 3ft9 s VAL 78 N -2.17 1.12 -0.11 1.60 1.01 -1.26 -1.25 120.40 119.35 3ft9 s VAL 78 Ca 0.08 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3ft9 s VAL 78 Cb -0.05 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.30 3ft9 s VAL 78 CO 0.03 0.36 -0.17 -0.36 0.00 0.00 0.00 175.10 174.95 3ft9 s PHE 79 N 0.87 2.13 0.06 5.22 0.08 0.67 -5.00 117.98 122.01 3ft9 s PHE 79 Ca -0.11 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 55.98 3ft9 s PHE 79 Cb -0.15 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3ft9 s PHE 79 CO 0.01 -0.46 0.19 -0.51 -0.10 0.00 0.00 175.22 174.35 3ft9 s ASP 80 N 0.81 6.23 -1.47 1.36 1.01 -1.26 -0.98 116.67 122.36 3ft9 s ASP 80 Ca -0.10 0.23 -0.11 0.00 0.71 0.00 0.00 52.55 53.27 3ft9 s ASP 80 Cb -0.16 -1.88 0.06 0.00 1.01 0.00 0.00 42.92 41.95 3ft9 s ASP 80 CO 0.01 0.17 1.01 -0.62 0.21 0.00 0.00 175.17 175.95 3ft9 n GLU 81 N 0.33 -6.09 0.05 8.23 -0.58 -1.22 -4.91 120.64 116.45 3ft9 n GLU 81 Ca -0.06 0.66 -0.21 0.00 -0.42 0.00 0.00 57.16 57.14 3ft9 n GLU 81 Cb 0.51 -5.57 -0.12 0.00 -0.57 0.00 0.00 31.44 25.70 3ft9 n GLU 81 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ft9 h VAL 82 N -2.22 1.32 -3.39 2.62 2.07 -1.26 -3.46 116.25 111.93 3ft9 h VAL 82 Ca -0.58 -2.31 -0.45 0.00 0.82 0.00 0.00 66.70 64.18 3ft9 h VAL 82 Cb 1.37 2.58 -0.35 0.00 -1.52 0.00 0.00 31.29 33.38 3ft9 h VAL 82 CO 0.63 0.70 -0.79 -0.63 0.02 0.00 0.00 177.57 177.51 3ft9 s ILE 83 N -3.13 0.72 0.73 4.57 1.01 -1.23 -4.60 121.20 119.27 3ft9 s ILE 83 Ca -0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3ft9 s ILE 83 Cb 0.05 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.83 3ft9 s ILE 83 CO 0.90 0.28 1.08 -2.16 0.00 0.00 0.00 174.94 175.04 3ft9 s PRO 84 N 1.07 2.58 0.21 2.79 0.04 -1.26 0.32 135.00 140.74 3ft9 s PRO 84 Ca -0.08 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 3ft9 s PRO 84 Cb -0.14 -1.94 0.27 0.00 0.04 0.00 0.00 34.50 32.73 3ft9 s PRO 84 CO -0.01 -1.39 1.69 1.15 0.04 0.00 0.00 177.00 178.48 3ft9 h THR 85 N -0.84 0.59 -0.82 1.26 2.02 -1.92 -3.00 112.91 110.20 3ft9 h THR 85 Ca -0.44 -0.06 -0.73 0.00 0.77 0.00 0.00 66.41 65.94 3ft9 h THR 85 Cb 1.22 0.39 -0.10 0.00 -1.74 0.00 0.00 68.15 67.92 3ft9 h THR 85 CO 0.54 0.03 2.55 0.00 0.37 0.00 0.00 175.52 179.01 3ft9 n ALA 86 N -2.67 5.73 -1.88 6.16 0.00 -1.26 -4.92 120.51 121.67 3ft9 n ALA 86 Ca 0.08 -4.10 -0.30 0.00 0.00 0.00 0.00 53.44 49.12 3ft9 n ALA 86 Cb 0.32 -3.16 0.05 0.00 0.00 0.00 0.00 19.45 16.66 3ft9 n ALA 86 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ft9 s PHE 87 N 1.24 3.28 -0.04 0.00 -0.12 -1.13 -5.06 117.98 116.14 3ft9 s PHE 87 Ca 0.45 1.01 0.06 0.00 -0.05 0.00 0.00 56.93 58.40 3ft9 s PHE 87 Cb 0.13 -3.12 -0.01 0.00 -0.63 0.00 0.00 43.02 39.38 3ft9 s PHE 87 CO -0.04 -1.26 -0.22 -1.54 -0.05 0.00 0.00 175.22 172.11 3ft9 s SER 88 N -4.38 2.70 0.28 1.98 1.04 -1.26 -5.08 113.70 108.97 3ft9 s SER 88 Ca 0.59 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 3ft9 s SER 88 Cb -0.11 -0.65 -0.12 0.00 0.10 0.00 0.00 66.02 65.24 3ft9 s SER 88 CO 0.51 0.22 1.49 -0.38 0.98 0.00 0.00 173.24 176.07 3ft9 n ILE 89 N 2.91 1.08 -0.61 -1.02 2.08 -1.26 -1.02 119.36 121.52 3ft9 n ILE 89 Ca -0.17 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.87 3ft9 n ILE 89 Cb 0.52 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 3ft9 n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3ft9 n GLY 90 N 2.02 1.67 3.81 7.39 0.00 0.12 -4.98 105.19 115.23 3ft9 n GLY 90 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3ft9 n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ft9 s LYS 91 N -0.04 4.32 0.00 1.61 2.20 -0.19 -4.80 119.74 122.85 3ft9 s LYS 91 Ca 0.00 1.01 -0.01 0.00 -0.36 0.00 0.00 55.97 56.61 3ft9 s LYS 91 Cb 0.00 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 3ft9 s LYS 91 CO 0.00 0.28 0.14 0.99 -0.36 0.00 0.00 175.35 176.39 3ft9 s THR 92 N -1.69 5.08 0.00 3.43 2.01 -1.26 -1.73 115.64 121.48 3ft9 s THR 92 Ca 0.49 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3ft9 s THR 92 Cb -0.15 -3.37 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 3ft9 s THR 92 CO 0.20 0.31 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.13 3ft9 s TYR 93 N -1.29 0.03 -0.05 4.92 2.02 0.58 -4.97 117.35 118.59 3ft9 s TYR 93 Ca 0.26 -0.02 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 3ft9 s TYR 93 Cb -0.12 -0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.44 3ft9 s TYR 93 CO 0.18 -0.00 0.11 0.21 -1.57 0.00 0.00 175.55 174.47 3ft9 s LYS 94 N -0.04 0.07 0.00 -0.62 2.20 -1.26 -0.79 119.74 119.30 3ft9 s LYS 94 Ca -0.00 0.27 0.29 0.00 -0.36 0.00 0.00 55.97 56.17 3ft9 s LYS 94 Cb -0.00 -0.13 1.75 0.00 -1.51 0.00 0.00 37.83 37.94 3ft9 s LYS 94 CO -0.00 -0.12 2.09 -2.30 -0.36 0.00 0.00 175.35 174.65