#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdo s PRO 2 N 0.00 2.43 0.19 -0.41 0.04 -1.26 -5.26 135.00 130.74 2fdo s PRO 2 Ca 0.00 -1.68 -0.29 0.00 0.04 0.00 0.00 61.00 59.07 2fdo s PRO 2 Cb 0.00 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2fdo s PRO 2 CO 0.00 -0.38 0.93 0.00 0.04 0.00 0.00 177.00 177.59 2fdo s ALA 3 N -2.57 3.32 -0.27 8.56 0.00 -1.26 -5.05 121.76 124.48 2fdo s ALA 3 Ca 0.46 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 2fdo s ALA 3 Cb -0.03 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2fdo s ALA 3 CO 0.27 0.14 0.04 0.71 0.00 0.00 0.00 175.76 176.92 2fdo s TYR 4 N -0.78 3.11 -0.12 0.00 1.51 -1.26 -5.07 117.35 114.74 2fdo s TYR 4 Ca 0.42 -1.04 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 2fdo s TYR 4 Cb -0.25 -2.20 0.02 0.00 -0.11 0.00 0.00 41.96 39.42 2fdo s TYR 4 CO 0.31 -0.59 -0.13 0.08 -1.11 0.00 0.00 175.55 174.11 2fdo s VAL 5 N 1.47 1.39 -0.04 0.71 1.01 -1.26 -5.09 120.40 118.59 2fdo s VAL 5 Ca 0.03 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.53 2fdo s VAL 5 Cb -0.17 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2fdo s VAL 5 CO 0.01 0.43 -0.25 -0.36 0.00 0.00 0.00 175.10 174.92 2fdo s PHE 6 N 1.34 2.41 1.04 5.22 0.40 -1.26 -1.11 117.98 126.02 2fdo s PHE 6 Ca 0.00 -0.56 -0.12 0.00 -0.60 0.00 0.00 56.93 55.66 2fdo s PHE 6 Cb -0.14 -1.56 0.21 0.00 0.51 0.00 0.00 43.02 42.05 2fdo s PHE 6 CO -0.06 -0.11 1.07 -1.54 0.70 0.00 0.00 175.22 175.27 2fdo s SER 7 N -0.40 2.04 0.19 1.36 1.04 -0.65 -4.73 113.70 112.55 2fdo s SER 7 Ca 0.04 1.62 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 2fdo s SER 7 Cb -0.12 -2.29 0.19 0.00 0.10 0.00 0.00 66.02 63.91 2fdo s SER 7 CO 0.01 -3.56 1.76 0.11 0.98 0.00 0.00 173.24 172.55 2fdo h LYS 8 N -2.18 0.40 -0.37 4.02 1.57 -1.99 -0.37 116.57 117.64 2fdo h LYS 8 Ca -0.55 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.15 2fdo h LYS 8 Cb 1.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2fdo h LYS 8 CO 0.50 0.26 -0.01 0.93 -0.57 0.00 0.00 179.45 180.56 2fdo h GLU 9 N 0.41 0.66 -0.78 3.15 4.39 -1.93 -1.46 114.58 119.02 2fdo h GLU 9 Ca 0.25 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2fdo h GLU 9 Cb 0.26 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2fdo h GLU 9 CO -0.24 0.77 0.36 0.77 -1.16 0.00 0.00 179.01 179.52 2fdo h SER 10 N 0.47 1.03 -0.19 1.42 0.02 -1.75 -1.31 113.55 113.24 2fdo h SER 10 Ca 0.10 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2fdo h SER 10 Cb 0.49 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2fdo h SER 10 CO 0.02 0.89 0.12 0.15 -1.14 0.00 0.00 176.83 176.87 2fdo h PHE 11 N 1.11 0.23 -0.53 3.45 3.57 -0.97 0.94 116.94 124.73 2fdo h PHE 11 Ca 0.27 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 2fdo h PHE 11 Cb 0.14 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2fdo h PHE 11 CO 0.01 0.14 0.35 -0.07 -2.23 0.00 0.00 178.31 176.52 2fdo h LEU 12 N 0.25 0.61 -0.82 0.59 3.38 -1.15 -1.13 115.31 117.03 2fdo h LEU 12 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2fdo h LEU 12 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2fdo h LEU 12 CO -0.02 0.44 0.54 0.11 0.09 0.00 0.00 178.44 179.60 2fdo h LYS 13 N 0.72 1.06 0.28 1.13 1.57 -1.01 -1.89 116.57 118.44 2fdo h LYS 13 Ca 0.20 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2fdo h LYS 13 Cb -0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 2fdo h LYS 13 CO -0.05 0.70 -0.25 0.35 -0.57 0.00 0.00 179.45 179.64 2fdo h PHE 14 N 1.09 -0.65 -0.26 -1.35 3.57 -0.48 -2.58 116.94 116.28 2fdo h PHE 14 Ca 0.31 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2fdo h PHE 14 Cb -0.10 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2fdo h PHE 14 CO -0.02 -0.37 0.18 -0.07 -2.23 0.00 0.00 178.31 175.81 2fdo h LEU 15 N -0.55 0.24 -1.28 0.59 3.38 -1.06 -2.49 115.31 114.15 2fdo h LEU 15 Ca -0.01 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2fdo h LEU 15 Cb 0.49 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2fdo h LEU 15 CO -0.03 0.17 0.52 -0.33 0.09 0.00 0.00 178.44 178.85 2fdo h GLU 16 N 0.28 0.87 0.00 1.13 5.08 -0.94 -0.21 114.58 120.80 2fdo h GLU 16 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2fdo h GLU 16 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2fdo h GLU 16 CO -0.02 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 2fdo n GLY 17 N -1.43 -0.68 0.00 -3.84 0.00 -0.94 -1.88 105.19 96.43 2fdo n GLY 17 Ca 0.11 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2fdo n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2fdo n HIS 18 N -1.47 0.00 -0.80 1.61 8.25 -0.10 -4.54 115.22 118.17 2fdo n HIS 18 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 2fdo n HIS 18 Cb 0.07 -0.13 0.08 0.00 1.12 0.00 0.00 29.99 31.13 2fdo n HIS 18 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2fdo n LEU 19 N -1.59 6.30 -0.00 2.41 4.77 -0.79 -4.51 117.00 123.58 2fdo n LEU 19 Ca 0.01 -3.32 -0.17 0.00 -0.03 0.00 0.00 56.01 52.50 2fdo n LEU 19 Cb 0.29 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.34 2fdo n LEU 19 CO 0.31 1.13 0.27 -0.33 -1.33 0.00 0.00 177.39 177.43 2fdo h GLU 20 N 1.26 0.25 0.00 3.23 4.39 -1.80 -3.48 114.58 118.43 2fdo h GLU 20 Ca 0.40 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2fdo h GLU 20 Cb 1.39 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2fdo h GLU 20 CO 0.90 1.06 0.00 -0.40 -1.16 0.00 0.00 179.01 179.42 2fdo n ASP 21 N -4.34 0.00 -3.60 1.42 5.68 -1.26 -4.94 116.55 109.51 2fdo n ASP 21 Ca -0.11 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.77 2fdo n ASP 21 Cb 0.63 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.60 2fdo n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2fdo n ASP 22 N 0.00 6.39 -4.43 -1.12 4.64 -1.26 -4.92 116.55 115.85 2fdo n ASP 22 Ca 0.00 -2.91 -0.33 0.00 -1.38 0.00 0.00 54.79 50.18 2fdo n ASP 22 Cb 0.00 -1.52 -0.14 0.00 -1.04 0.00 0.00 41.12 38.42 2fdo n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2fdo s VAL 23 N 1.25 3.05 0.46 5.18 1.01 -1.26 -5.13 120.40 124.96 2fdo s VAL 23 Ca 0.53 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2fdo s VAL 23 Cb 0.15 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2fdo s VAL 23 CO -0.06 0.56 0.49 0.68 0.00 0.00 0.00 175.10 176.77 2fdo s VAL 24 N -0.28 2.52 -0.16 2.92 -7.23 -1.26 -5.05 120.40 111.86 2fdo s VAL 24 Ca 0.02 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2fdo s VAL 24 Cb -0.13 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.08 2fdo s VAL 24 CO 0.03 0.00 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.99 2fdo s VAL 25 N -2.52 1.61 -0.17 1.32 1.01 -1.26 -5.09 120.40 115.30 2fdo s VAL 25 Ca 0.50 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 2fdo s VAL 25 Cb -0.05 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2fdo s VAL 25 CO 0.30 0.41 0.87 -0.69 0.00 0.00 0.00 175.10 175.99 2fdo s VAL 26 N 1.46 4.85 -0.07 2.92 1.01 -1.26 -5.07 120.40 124.24 2fdo s VAL 26 Ca 0.04 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.78 2fdo s VAL 26 Cb -0.13 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2fdo s VAL 26 CO -0.10 -0.00 -0.20 -0.69 0.00 0.00 0.00 175.10 174.10 2fdo s VAL 27 N 2.28 2.50 -0.07 2.92 1.01 -1.26 -5.09 120.40 122.68 2fdo s VAL 27 Ca 0.40 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2fdo s VAL 27 Cb -0.17 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2fdo s VAL 27 CO 0.12 0.57 -0.08 -0.55 0.00 0.00 0.00 175.10 175.16 2fdo s SER 28 N -0.23 1.67 -0.09 3.32 0.15 -1.26 -4.99 113.70 112.27 2fdo s SER 28 Ca -0.01 -0.24 0.17 0.00 0.70 0.00 0.00 55.95 56.57 2fdo s SER 28 Cb -0.13 -0.70 0.59 0.00 -1.71 0.00 0.00 66.02 64.07 2fdo s SER 28 CO 0.03 -0.06 1.50 -1.54 1.20 0.00 0.00 173.24 174.38 2fdo n SER 29 N 4.34 4.14 -4.52 5.45 3.41 -1.26 -4.90 113.62 120.28 2fdo n SER 29 Ca -0.19 -2.40 -0.43 0.00 -0.26 0.00 0.00 58.87 55.59 2fdo n SER 29 Cb 0.51 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2fdo n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fdo s ASP 30 N -1.11 6.84 -0.39 4.04 2.15 -1.26 -4.95 116.67 121.99 2fdo s ASP 30 Ca 0.43 -2.42 -0.29 0.00 0.43 0.00 0.00 52.55 50.70 2fdo s ASP 30 Cb 0.28 -2.49 0.01 0.00 -0.30 0.00 0.00 42.92 40.42 2fdo s ASP 30 CO 0.21 -1.06 1.30 -0.69 -0.17 0.00 0.00 175.17 174.76 2fdo s VAL 31 N 3.22 4.07 -0.22 1.11 1.01 -1.26 -1.78 120.40 126.55 2fdo s VAL 31 Ca 0.46 1.14 0.21 0.00 0.00 0.00 0.00 61.98 63.79 2fdo s VAL 31 Cb -0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2fdo s VAL 31 CO 0.00 -0.71 1.03 0.71 0.00 0.00 0.00 175.10 176.13 2fdo h THR 32 N 6.22 0.10 -2.26 3.92 1.35 -1.25 -3.47 112.91 117.52 2fdo h THR 32 Ca -0.26 -1.20 -0.05 0.00 -0.55 0.00 0.00 66.41 64.35 2fdo h THR 32 Cb 1.09 1.63 -0.23 0.00 -1.73 0.00 0.00 68.15 68.91 2fdo h THR 32 CO 1.08 0.06 -0.05 -0.62 -0.25 0.00 0.00 175.52 175.74 2fdo s ASP 33 N -5.48 -0.70 -0.05 5.36 2.15 -1.21 -5.01 116.67 111.73 2fdo s ASP 33 Ca -0.01 1.25 -0.02 0.00 0.43 0.00 0.00 52.55 54.20 2fdo s ASP 33 Cb 0.09 1.20 0.04 0.00 -0.30 0.00 0.00 42.92 43.95 2fdo s ASP 33 CO 0.79 -0.22 0.11 0.12 -0.17 0.00 0.00 175.17 175.80 2fdo s PHE 34 N 0.85 -0.09 0.20 -5.34 5.36 -1.26 -0.90 117.98 116.81 2fdo s PHE 34 Ca -0.04 0.38 -0.19 0.00 -0.96 0.00 0.00 56.93 56.12 2fdo s PHE 34 Cb -0.05 -0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.45 2fdo s PHE 34 CO -0.07 -0.17 0.58 0.00 -1.46 0.00 0.00 175.22 174.10 2fdo s LYS 36 N -3.86 3.46 -0.01 0.00 1.02 -1.26 -0.56 119.74 118.53 2fdo s LYS 36 Ca 0.08 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 2fdo s LYS 36 Cb -0.02 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 2fdo s LYS 36 CO -0.03 0.70 0.03 0.15 -0.92 0.00 0.00 175.35 175.29 2fdo s LYS 37 N -0.82 0.16 0.17 1.68 1.02 -0.19 -5.00 119.74 116.76 2fdo s LYS 37 Ca 0.14 -0.16 -0.26 0.00 0.02 0.00 0.00 55.97 55.71 2fdo s LYS 37 Cb -0.12 0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.18 2fdo s LYS 37 CO 0.03 -0.03 0.79 -0.51 -0.92 0.00 0.00 175.35 174.71 2fdo s LEU 38 N -0.51 4.59 -0.07 3.17 1.43 -1.26 -1.14 118.68 124.88 2fdo s LEU 38 Ca -0.06 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 2fdo s LEU 38 Cb -0.04 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 2fdo s LEU 38 CO -0.00 0.19 -0.17 -0.55 0.23 0.00 0.00 176.35 176.05 2fdo s SER 39 N -1.09 3.76 0.03 2.29 0.15 0.27 -4.93 113.70 114.18 2fdo s SER 39 Ca 0.36 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.73 2fdo s SER 39 Cb -0.23 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.98 2fdo s SER 39 CO 0.27 0.27 -0.07 -1.83 1.20 0.00 0.00 173.24 173.08 2fdo s GLU 40 N -0.27 2.48 0.00 5.44 -1.05 -1.26 -1.08 118.70 122.96 2fdo s GLU 40 Ca 0.01 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 2fdo s GLU 40 Cb -0.13 -2.47 0.00 0.00 -0.44 0.00 0.00 34.13 31.09 2fdo s GLU 40 CO 0.03 0.58 0.00 -1.13 0.95 0.00 0.00 175.26 175.69 2fdo n SER 41 N 1.32 0.00 -0.05 0.83 3.41 -1.26 -5.03 113.62 112.84 2fdo n SER 41 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2fdo n SER 41 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2fdo n SER 41 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2fdo n VAL 43 N 0.00 0.00 0.00 -3.33 3.14 -1.26 -4.72 118.33 112.16 2fdo n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2fdo n VAL 43 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2fdo n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fdo n GLY 44 N 0.00 -1.54 3.82 7.55 0.00 -1.26 -5.05 105.19 108.71 2fdo n GLY 44 Ca 0.00 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 2fdo n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fdo s GLU 45 N -0.33 3.13 -0.02 1.61 2.02 -1.26 -4.59 118.70 119.25 2fdo s GLU 45 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.48 2fdo s GLU 45 Cb 0.00 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2fdo s GLU 45 CO 0.00 0.61 -0.06 0.21 0.02 0.00 0.00 175.26 176.05 2fdo s LYS 46 N -2.15 0.58 -0.06 1.61 2.36 -0.24 -4.97 119.74 116.88 2fdo s LYS 46 Ca 0.28 -0.18 -0.18 0.00 -2.55 0.00 0.00 55.97 53.34 2fdo s LYS 46 Cb -0.12 -0.58 -0.05 0.00 -1.05 0.00 0.00 37.83 36.02 2fdo s LYS 46 CO 0.20 0.07 0.49 -1.21 1.55 0.00 0.00 175.35 176.45 2fdo s GLU 47 N 0.17 4.24 -0.04 4.03 2.02 -1.26 0.95 118.70 128.81 2fdo s GLU 47 Ca -0.02 0.52 0.04 0.00 0.02 0.00 0.00 54.97 55.53 2fdo s GLU 47 Cb -0.06 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 2fdo s GLU 47 CO -0.00 0.34 -0.15 0.71 0.02 0.00 0.00 175.26 176.18 2fdo s TYR 48 N 0.01 2.68 0.26 1.61 1.51 -0.29 -4.95 117.35 118.17 2fdo s TYR 48 Ca 0.27 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 2fdo s TYR 48 Cb -0.16 -1.61 -0.09 0.00 -0.11 0.00 0.00 41.96 39.99 2fdo s TYR 48 CO 0.13 0.19 0.74 0.00 -1.11 0.00 0.00 175.55 175.50 2fdo s PHE 50 N -1.67 1.24 -0.12 0.00 0.40 0.27 -4.99 117.98 113.11 2fdo s PHE 50 Ca 0.47 -0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 56.34 2fdo s PHE 50 Cb -0.15 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.45 2fdo s PHE 50 CO 0.20 -0.28 -0.06 0.00 0.70 0.00 0.00 175.22 175.78 2fdo s ALA 51 N 0.87 1.29 -0.17 5.36 0.00 -1.26 -2.11 121.76 125.74 2fdo s ALA 51 Ca -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 2fdo s ALA 51 Cb -0.15 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 2fdo s ALA 51 CO 0.01 -0.48 -0.01 -2.00 0.00 0.00 0.00 175.76 173.28 2fdo s GLU 52 N 1.73 3.74 0.01 0.00 2.12 -0.08 -5.01 118.70 121.20 2fdo s GLU 52 Ca 0.04 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 54.98 2fdo s GLU 52 Cb -0.13 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 2fdo s GLU 52 CO -0.08 0.22 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.56 2fdo s PHE 53 N 0.45 2.39 -0.03 5.30 0.40 -1.26 -0.67 117.98 124.55 2fdo s PHE 53 Ca -0.02 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2fdo s PHE 53 Cb -0.14 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 2fdo s PHE 53 CO 0.02 0.08 0.03 0.00 0.70 0.00 0.00 175.22 176.05 2fdo s ALA 54 N -0.74 3.38 -0.04 5.36 0.00 -0.74 -4.93 121.76 124.06 2fdo s ALA 54 Ca 0.11 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 2fdo s ALA 54 Cb -0.10 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.57 2fdo s ALA 54 CO 0.01 0.64 0.29 -0.59 0.00 0.00 0.00 175.76 176.10 2fdo s PHE 55 N -1.04 -0.19 0.31 0.00 -0.12 -1.26 -4.54 117.98 111.13 2fdo s PHE 55 Ca 0.18 0.37 -0.29 0.00 -0.05 0.00 0.00 56.93 57.14 2fdo s PHE 55 Cb -0.12 0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.26 2fdo s PHE 55 CO 0.08 -0.31 1.30 -2.14 -0.05 0.00 0.00 175.22 174.10 2fdo s PRO 56 N -0.92 4.37 0.24 1.99 0.02 -1.26 -4.91 135.00 134.53 2fdo s PRO 56 Ca -0.10 2.18 0.11 0.00 0.02 0.00 0.00 61.00 63.21 2fdo s PRO 56 Cb -0.05 -3.09 0.20 0.00 0.02 0.00 0.00 34.50 31.57 2fdo s PRO 56 CO 0.03 -0.19 1.51 0.00 -0.33 0.00 0.00 177.00 178.02 2fdo h ALA 57 N 3.76 0.75 0.00 -1.55 0.00 -2.00 -3.36 119.26 116.86 2fdo h ALA 57 Ca -0.48 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2fdo h ALA 57 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2fdo h ALA 57 CO 0.68 0.87 0.00 -0.40 0.00 0.00 0.00 179.25 180.40 2fdo n ASP 58 N -3.57 0.00 0.05 0.00 5.68 -1.26 -1.25 116.55 116.20 2fdo n ASP 58 Ca -0.00 -0.36 0.12 0.00 -0.50 0.00 0.00 54.79 54.05 2fdo n ASP 58 Cb 0.71 -0.04 0.30 0.00 -1.14 0.00 0.00 41.12 40.96 2fdo n ASP 58 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2fdo n ILE 59 N -1.04 0.27 -3.82 2.12 -5.35 -1.26 -4.89 119.36 105.40 2fdo n ILE 59 Ca 0.10 -0.17 -0.33 0.00 -0.27 0.00 0.00 62.75 62.08 2fdo n ILE 59 Cb 0.05 -0.18 -0.05 0.00 -1.74 0.00 0.00 39.64 37.72 2fdo n ILE 59 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2fdo s PHE 60 N -3.09 3.53 -0.78 4.28 0.40 -0.38 -5.01 117.98 116.93 2fdo s PHE 60 Ca 0.09 0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2fdo s PHE 60 Cb 0.15 -1.89 0.25 0.00 0.51 0.00 0.00 43.02 42.04 2fdo s PHE 60 CO 0.66 0.57 0.89 -3.47 0.70 0.00 0.00 175.22 174.58 2fdo n ASP 61 N 0.62 4.34 -3.62 1.36 -0.08 -1.26 -5.01 116.55 112.90 2fdo n ASP 61 Ca -0.07 -3.37 -0.10 0.00 -1.51 0.00 0.00 54.79 49.74 2fdo n ASP 61 Cb 0.52 -0.87 -0.07 0.00 2.34 0.00 0.00 41.12 43.04 2fdo n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fdo s ALA 62 N -2.27 -1.95 1.04 -1.67 0.00 -1.26 -5.12 121.76 110.53 2fdo s ALA 62 Ca 0.34 1.80 -0.18 0.00 0.00 0.00 0.00 51.96 53.93 2fdo s ALA 62 Cb 0.07 -1.21 0.24 0.00 0.00 0.00 0.00 23.12 22.23 2fdo s ALA 62 CO -0.02 -0.26 1.32 0.16 0.00 0.00 0.00 175.76 176.95 2fdo s ASP 63 N -0.12 2.38 0.25 0.00 1.47 -1.26 -4.83 116.67 114.57 2fdo s ASP 63 Ca 0.01 0.20 -0.04 0.00 1.18 0.00 0.00 52.55 53.90 2fdo s ASP 63 Cb -0.04 -0.17 0.29 0.00 -0.34 0.00 0.00 42.92 42.66 2fdo s ASP 63 CO -0.03 -3.18 1.83 -0.08 0.68 0.00 0.00 175.17 174.38 2fdo h GLU 64 N -1.95 1.06 -0.30 2.11 4.81 -2.02 -2.29 114.58 115.99 2fdo h GLU 64 Ca -0.44 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.49 2fdo h GLU 64 Cb 1.22 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2fdo h GLU 64 CO 0.31 0.85 -0.35 -0.44 -0.73 0.00 0.00 179.01 178.64 2fdo h ASP 65 N 1.04 0.72 -0.31 1.04 3.32 -1.98 0.17 116.42 120.43 2fdo h ASP 65 Ca 0.25 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2fdo h ASP 65 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2fdo h ASP 65 CO -0.02 1.00 0.06 -0.33 -1.72 0.00 0.00 179.24 178.23 2fdo h GLU 66 N 0.57 0.50 -0.89 3.56 5.08 -1.88 -1.00 114.58 120.52 2fdo h GLU 66 Ca 0.06 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2fdo h GLU 66 Cb 0.87 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2fdo h GLU 66 CO 0.08 0.59 0.51 0.82 -1.00 0.00 0.00 179.01 180.01 2fdo h ILE 67 N 0.33 1.25 -0.51 3.13 2.04 -1.35 -2.83 117.51 119.58 2fdo h ILE 67 Ca 0.09 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.46 2fdo h ILE 67 Cb 0.33 0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 36.36 2fdo h ILE 67 CO 0.00 0.28 -0.04 -0.78 0.00 0.00 0.00 178.15 177.61 2fdo h ASP 68 N 1.23 -0.30 0.00 1.72 1.82 -0.72 -3.50 116.42 116.67 2fdo h ASP 68 Ca 0.31 0.13 -0.34 0.00 -0.39 0.00 0.00 57.03 56.75 2fdo h ASP 68 Cb -0.01 0.25 0.02 0.00 0.68 0.00 0.00 39.33 40.28 2fdo h ASP 68 CO -0.05 -0.11 2.20 -0.62 -1.61 0.00 0.00 179.24 179.05 2fdo n GLU 69 N -5.28 1.52 0.00 0.28 1.02 -0.40 -5.08 120.64 112.70 2fdo n GLU 69 Ca 0.06 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 2fdo n GLU 69 Cb 0.28 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 2fdo n GLU 69 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2fdo n LYS 72 N 4.81 0.00 -3.74 3.49 2.85 -1.26 -5.10 118.16 119.21 2fdo n LYS 72 Ca 0.36 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.48 2fdo n LYS 72 Cb 0.14 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.43 2fdo n LYS 72 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2fdo s TYR 73 N -2.20 -0.31 -0.01 5.58 1.51 -1.26 -5.13 117.35 115.53 2fdo s TYR 73 Ca 0.00 0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 56.60 2fdo s TYR 73 Cb 0.00 0.14 -0.05 0.00 -0.11 0.00 0.00 41.96 41.94 2fdo s TYR 73 CO 0.00 -0.33 0.29 0.00 -1.11 0.00 0.00 175.55 174.40 2fdo s ALA 74 N -0.70 3.81 0.01 3.71 0.00 -1.26 -5.09 121.76 122.24 2fdo s ALA 74 Ca -0.08 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.45 2fdo s ALA 74 Cb -0.04 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2fdo s ALA 74 CO 0.03 0.60 -0.19 0.96 0.00 0.00 0.00 175.76 177.16 2fdo s ILE 75 N -1.22 1.51 -0.04 0.00 -4.36 -1.26 -5.14 121.20 110.69 2fdo s ILE 75 Ca 0.25 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.73 2fdo s ILE 75 Cb -0.14 -1.28 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 2fdo s ILE 75 CO 0.13 0.31 -0.15 -0.69 0.24 0.00 0.00 174.94 174.79 2fdo s VAL 76 N -0.59 1.26 -0.31 8.37 1.01 -1.26 -5.11 120.40 123.77 2fdo s VAL 76 Ca 0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2fdo s VAL 76 Cb -0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2fdo s VAL 76 CO 0.00 0.37 0.43 -0.36 0.00 0.00 0.00 175.10 175.54 2fdo s PHE 77 N 0.14 3.22 -0.12 5.22 0.08 -1.26 -5.06 117.98 120.20 2fdo s PHE 77 Ca -0.05 0.26 0.02 0.00 0.12 0.00 0.00 56.93 57.28 2fdo s PHE 77 Cb -0.11 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.63 2fdo s PHE 77 CO 0.02 -0.38 -0.17 0.08 -0.10 0.00 0.00 175.22 174.67 2fdo s VAL 78 N 2.19 1.63 0.09 -0.44 1.01 -1.26 -5.11 120.40 118.50 2fdo s VAL 78 Ca 0.16 -0.71 -0.36 0.00 0.00 0.00 0.00 61.98 61.06 2fdo s VAL 78 Cb -0.16 -1.48 -0.16 0.00 0.00 0.00 0.00 36.38 34.58 2fdo s VAL 78 CO 0.11 0.47 1.37 -0.62 0.00 0.00 0.00 175.10 176.43 2fdo n GLU 79 N 4.21 1.26 -0.34 2.72 -0.58 -1.26 -4.88 120.64 121.77 2fdo n GLU 79 Ca -0.19 0.45 0.20 0.00 -0.42 0.00 0.00 57.16 57.21 2fdo n GLU 79 Cb 0.51 -2.11 0.42 0.00 -0.57 0.00 0.00 31.44 29.69 2fdo n GLU 79 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2fdo h LYS 80 N 4.75 0.46 -0.01 3.49 6.56 -1.99 0.20 116.57 130.02 2fdo h LYS 80 Ca -0.47 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2fdo h LYS 80 Cb 1.33 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2fdo h LYS 80 CO 0.79 0.30 0.00 0.39 -2.06 0.00 0.00 179.45 178.88 2fdo n GLU 81 N -4.95 0.68 -0.01 3.15 4.71 -1.26 -2.38 120.64 120.58 2fdo n GLU 81 Ca 0.29 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.45 2fdo n GLU 81 Cb 0.85 -1.01 0.02 0.00 -1.01 0.00 0.00 31.44 30.29 2fdo n GLU 81 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2fdo n LYS 82 N -0.49 0.37 -2.71 3.49 3.00 0.06 -5.02 118.16 116.86 2fdo n LYS 82 Ca 0.00 -0.94 -0.31 0.00 -0.00 0.00 0.00 58.31 57.06 2fdo n LYS 82 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 35.03 33.94 2fdo n LYS 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2fdo s LEU 83 N -0.45 3.78 0.00 3.14 1.43 -1.00 -5.01 118.68 120.57 2fdo s LEU 83 Ca 0.04 1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 54.32 2fdo s LEU 83 Cb 0.03 -4.22 0.20 0.00 0.03 0.00 0.00 46.19 42.23 2fdo s LEU 83 CO 0.04 -0.45 1.19 -1.54 0.23 0.00 0.00 176.35 175.82 2fdo n SER 84 N -1.30 0.07 0.02 2.29 3.41 -1.26 -4.83 113.62 112.02 2fdo n SER 84 Ca 0.04 -1.43 -0.07 0.00 -0.26 0.00 0.00 58.87 57.16 2fdo n SER 84 Cb 0.54 -0.91 0.11 0.00 -0.26 0.00 0.00 64.21 63.69 2fdo n SER 84 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2fdo h GLU 85 N 0.00 0.49 -0.55 4.33 9.09 -1.99 -2.03 114.58 123.93 2fdo h GLU 85 Ca -0.39 -0.27 -0.10 0.00 0.05 0.00 0.00 59.36 58.65 2fdo h GLU 85 Cb 1.06 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.16 2fdo h GLU 85 CO 0.27 0.85 -0.05 0.00 0.05 0.00 0.00 179.01 180.13 2fdo h ALA 86 N 1.11 0.74 0.03 1.06 0.00 -1.98 -1.10 119.26 119.11 2fdo h ALA 86 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2fdo h ALA 86 Cb 0.96 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2fdo h ALA 86 CO 0.08 0.61 -0.02 0.78 0.00 0.00 0.00 179.25 180.71 2fdo h GLY 87 N 0.88 -0.04 0.22 0.00 0.00 -1.90 -1.64 103.07 100.59 2fdo h GLY 87 Ca 0.15 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.64 2fdo h GLY 87 CO 0.04 -0.02 0.39 3.21 0.00 0.00 0.00 176.54 180.16 2fdo h ARG 88 N -0.04 0.55 -0.92 4.80 3.08 -1.36 -2.45 114.38 118.04 2fdo h ARG 88 Ca -0.00 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.15 2fdo h ARG 88 Cb 0.04 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 29.87 2fdo h ARG 88 CO 0.00 0.37 0.54 -0.97 -1.07 0.00 0.00 179.97 178.84 2fdo h ASN 89 N 0.57 0.74 -0.02 7.04 -1.24 -0.60 -2.88 115.58 119.19 2fdo h ASN 89 Ca 0.44 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.52 2fdo h ASN 89 Cb 0.62 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2fdo h ASN 89 CO -0.37 0.36 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 2fdo n ALA 90 N -2.37 2.61 -1.73 1.57 0.00 -0.67 -4.94 120.51 114.98 2fdo n ALA 90 Ca 0.18 -0.34 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2fdo n ALA 90 Cb 0.39 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.58 2fdo n ALA 90 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2fdo n ILE 91 N -0.29 3.29 0.24 0.00 5.41 -1.09 -4.26 119.36 122.66 2fdo n ILE 91 Ca 0.20 -0.50 0.03 0.00 1.00 0.00 0.00 62.75 63.48 2fdo n ILE 91 Cb 0.25 -1.66 0.02 0.00 -0.71 0.00 0.00 39.64 37.55 2fdo n ILE 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09