#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 n LEU 5 N 0.00 0.00 -0.14 -3.43 7.99 -1.26 -5.02 117.00 115.14 2wh3 n LEU 5 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.13 2wh3 n LEU 5 Cb 0.00 0.00 0.49 0.00 -0.11 0.00 0.00 43.42 43.80 2wh3 n LEU 5 CO 0.00 0.00 0.75 2.29 -1.51 0.00 0.00 177.39 178.92 2wh3 n LYS 6 N 0.00 0.63 -3.83 3.23 0.00 -1.26 -4.56 118.16 112.37 2wh3 n LYS 6 Ca 0.00 -0.29 -0.35 0.00 -0.00 0.00 0.00 58.31 57.68 2wh3 n LYS 6 Cb 0.00 -1.49 -0.12 0.00 -0.00 0.00 0.00 35.03 33.42 2wh3 n LYS 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wh3 s LYS 7 N -2.57 2.03 0.50 -1.58 2.47 -1.26 -5.03 119.74 114.30 2wh3 s LYS 7 Ca 0.24 -2.09 0.00 0.00 -1.56 0.00 0.00 55.97 52.56 2wh3 s LYS 7 Cb 0.19 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 33.05 2wh3 s LYS 7 CO 0.52 -1.08 0.00 0.41 0.16 0.00 0.00 175.35 175.36 2wh3 n GLY 8 N 4.10 -1.83 0.00 5.54 0.00 -1.26 -4.78 105.19 106.96 2wh3 n GLY 8 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2wh3 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh3 n VAL 9 N 0.00 0.07 -0.47 1.61 0.31 -1.26 -5.01 118.33 113.58 2wh3 n VAL 9 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2wh3 n VAL 9 Cb 0.00 1.47 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 2wh3 n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wh3 n PHE 10 N -0.03 -0.47 -1.87 3.52 -1.74 -1.26 -4.44 117.46 111.15 2wh3 n PHE 10 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2wh3 n PHE 10 Cb 0.30 -0.57 -0.03 0.00 1.52 0.00 0.00 39.48 40.70 2wh3 n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2wh3 s VAL 11 N -0.47 3.35 0.06 1.97 0.11 -1.26 -4.83 120.40 119.33 2wh3 s VAL 11 Ca 0.00 0.40 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 2wh3 s VAL 11 Cb 0.00 -3.35 -0.14 0.00 -1.53 0.00 0.00 36.38 31.36 2wh3 s VAL 11 CO 0.00 -0.14 0.62 0.47 -3.33 0.00 0.00 175.10 172.73 2wh3 n ASP 12 N 8.89 -0.38 -0.03 3.54 10.43 -1.26 -4.83 116.55 132.91 2wh3 n ASP 12 Ca 0.22 0.85 -0.14 0.00 2.57 0.00 0.00 54.79 58.28 2wh3 n ASP 12 Cb 0.44 -0.69 -0.10 0.00 1.84 0.00 0.00 41.12 42.61 2wh3 n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wh3 h ASP 13 N 1.61 0.25 0.00 -2.24 5.19 -2.00 -3.14 116.42 116.10 2wh3 h ASP 13 Ca -0.31 -0.63 0.00 0.00 -0.62 0.00 0.00 57.03 55.47 2wh3 h ASP 13 Cb 1.06 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2wh3 h ASP 13 CO 0.46 0.84 0.19 0.00 -3.12 0.00 0.00 179.24 177.61 2wh3 n HIS 14 N -4.57 0.00 -0.11 4.55 1.44 -1.26 0.17 115.22 115.43 2wh3 n HIS 14 Ca -0.08 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.38 2wh3 n HIS 14 Cb 0.42 -0.27 -0.11 0.00 0.12 0.00 0.00 29.99 30.15 2wh3 n HIS 14 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2wh3 n LEU 15 N -1.25 2.16 0.36 2.39 -0.00 -1.19 -3.86 117.00 115.61 2wh3 n LEU 15 Ca 0.00 0.27 -0.17 0.00 -0.00 0.00 0.00 56.01 56.12 2wh3 n LEU 15 Cb 0.19 -0.91 -0.08 0.00 -0.00 0.00 0.00 43.42 42.62 2wh3 n LEU 15 CO 0.00 0.58 0.55 -0.07 -0.00 0.00 0.00 177.39 178.45 2wh3 h LEU 16 N -0.73 -0.76 -1.77 -1.96 4.07 -0.24 0.18 115.31 114.10 2wh3 h LEU 16 Ca -0.56 -0.01 0.38 0.00 0.08 0.00 0.00 57.88 57.78 2wh3 h LEU 16 Cb 1.62 0.20 -0.05 0.00 1.08 0.00 0.00 40.66 43.50 2wh3 h LEU 16 CO -0.26 -0.47 1.08 -0.08 -1.08 0.00 0.00 178.44 177.63 2wh3 h GLU 17 N -1.03 0.00 0.05 1.13 4.81 -1.02 0.52 114.58 119.03 2wh3 h GLU 17 Ca -0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2wh3 h GLU 17 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2wh3 h GLU 17 CO 0.15 0.00 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.19 2wh3 h LYS 18 N 0.00 -0.06 -1.81 1.92 1.63 -1.36 -3.29 116.57 113.59 2wh3 h LYS 18 Ca 0.63 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.27 2wh3 h LYS 18 Cb 2.78 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 34.36 2wh3 h LYS 18 CO -0.01 0.43 0.16 0.28 -3.45 0.00 0.00 179.45 176.86 2wh3 n VAL 19 N -4.76 2.43 0.00 2.00 0.31 0.17 -2.22 118.33 116.27 2wh3 n VAL 19 Ca -0.06 -1.13 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 2wh3 n VAL 19 Cb 0.26 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 2wh3 n VAL 19 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wh3 n LEU 20 N 1.09 0.44 0.13 7.52 4.77 -0.73 -4.24 117.00 125.98 2wh3 n LEU 20 Ca 0.17 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 2wh3 n LEU 20 Cb 0.56 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 2wh3 n LEU 20 CO 0.17 -0.04 -0.29 -0.33 -1.33 0.00 0.00 177.39 175.57 2wh3 h GLU 21 N 0.00 0.50 0.00 3.23 5.08 -1.62 0.41 114.58 122.18 2wh3 h GLU 21 Ca 0.00 -0.86 -0.02 0.00 -1.00 0.00 0.00 59.36 57.48 2wh3 h GLU 21 Cb 0.21 0.32 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2wh3 h GLU 21 CO 0.00 1.41 -0.11 -0.07 -1.00 0.00 0.00 179.01 179.24 2wh3 h LEU 22 N 0.11 0.00 0.01 1.33 -0.00 -1.72 -3.16 115.31 111.89 2wh3 h LEU 22 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 2wh3 h LEU 22 Cb 2.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.79 2wh3 h LEU 22 CO 0.25 0.11 -0.05 -1.13 -0.00 0.00 0.00 178.44 177.62 2wh3 h ASN 23 N 0.00 0.03 -1.70 -0.43 -1.24 -1.69 -3.18 115.58 107.37 2wh3 h ASN 23 Ca -0.00 -0.96 -0.55 0.00 0.71 0.00 0.00 56.30 55.50 2wh3 h ASN 23 Cb 0.80 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.84 2wh3 h ASN 23 CO 0.01 0.99 1.55 0.00 -1.29 0.00 0.00 177.43 178.69 2wh3 n ALA 24 N -2.59 1.33 -2.41 1.57 0.00 0.14 -0.40 120.51 118.15 2wh3 n ALA 24 Ca -0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.85 2wh3 n ALA 24 Cb 0.48 -2.97 0.01 0.00 0.00 0.00 0.00 19.45 16.98 2wh3 n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh3 n LYS 25 N 8.79 -0.77 0.00 0.00 5.02 -1.26 -4.89 118.16 125.05 2wh3 n LYS 25 Ca 0.35 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2wh3 n LYS 25 Cb 0.45 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 2wh3 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh3 n GLY 26 N -0.82 0.00 0.00 0.72 0.00 0.46 -4.97 105.19 100.58 2wh3 n GLY 26 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wh3 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh3 n GLU 27 N 0.00 0.00 0.00 1.61 4.71 -1.20 -5.06 120.64 120.70 2wh3 n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2wh3 n GLU 27 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2wh3 n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wh3 n LYS 28 N 0.00 2.95 0.00 3.49 4.76 -1.26 -5.02 118.16 123.08 2wh3 n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wh3 n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wh3 n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wh3 n ARG 29 N 0.00 0.00 -1.52 1.97 -4.01 -1.26 -4.88 116.66 106.96 2wh3 n ARG 29 Ca 0.00 0.00 -0.28 0.00 -1.04 0.00 0.00 57.85 56.53 2wh3 n ARG 29 Cb 0.00 0.00 -0.14 0.00 -3.04 0.00 0.00 32.46 29.28 2wh3 n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wh3 n LEU 30 N -0.34 0.30 -3.51 2.89 0.00 -1.26 -4.58 117.00 110.50 2wh3 n LEU 30 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 56.01 55.20 2wh3 n LEU 30 Cb 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 43.42 42.26 2wh3 n LEU 30 CO 0.00 -1.49 -0.31 -0.51 0.00 0.00 0.00 177.39 175.09 2wh3 s ILE 31 N 7.56 0.37 1.04 1.96 2.07 -1.26 -5.10 121.20 127.83 2wh3 s ILE 31 Ca 1.20 -1.86 -0.14 0.00 -1.41 0.00 0.00 60.65 58.45 2wh3 s ILE 31 Cb -0.72 -1.27 0.21 0.00 0.13 0.00 0.00 42.46 40.80 2wh3 s ILE 31 CO 0.40 -0.97 1.10 -0.54 -1.91 0.00 0.00 174.94 173.02 2wh3 s LYS 32 N 0.95 0.10 0.04 3.50 1.02 -1.26 -2.47 119.74 121.63 2wh3 s LYS 32 Ca 0.18 0.34 -0.25 0.00 0.02 0.00 0.00 55.97 56.26 2wh3 s LYS 32 Cb -0.23 -1.71 0.08 0.00 -0.52 0.00 0.00 37.83 35.45 2wh3 s LYS 32 CO 0.01 -2.91 1.13 -2.37 -0.92 0.00 0.00 175.35 170.29 2wh3 n THR 33 N -4.27 0.00 -1.78 2.17 5.66 -1.26 -4.83 114.28 109.98 2wh3 n THR 33 Ca 0.07 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2wh3 n THR 33 Cb 0.58 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 2wh3 n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2wh3 n TRP 34 N -0.81 0.00 0.58 1.09 8.01 -1.26 -3.66 117.44 121.39 2wh3 n TRP 34 Ca 0.02 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.21 2wh3 n TRP 34 Cb 0.55 0.09 0.07 0.00 -2.01 0.00 0.00 31.31 30.02 2wh3 n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wh3 n SER 35 N 0.00 2.29 -0.44 -0.99 3.41 -1.26 -4.46 113.62 112.17 2wh3 n SER 35 Ca 0.00 -2.23 0.36 0.00 -0.26 0.00 0.00 58.87 56.74 2wh3 n SER 35 Cb 0.43 -0.55 0.64 0.00 -0.26 0.00 0.00 64.21 64.47 2wh3 n SER 35 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2wh3 h ARG 36 N 0.68 0.10 -0.00 4.33 0.11 -1.93 0.52 114.38 118.20 2wh3 h ARG 36 Ca 0.03 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2wh3 h ARG 36 Cb 0.96 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.02 2wh3 h ARG 36 CO 0.14 0.07 0.51 0.00 0.10 0.00 0.00 179.97 180.78 2wh3 h ARG 37 N 0.11 0.00 -7.00 0.08 3.08 -1.96 -2.50 114.38 106.18 2wh3 h ARG 37 Ca 0.80 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 60.36 2wh3 h ARG 37 Cb 2.51 0.00 0.04 0.00 0.08 0.00 0.00 29.97 32.60 2wh3 h ARG 37 CO -0.40 0.00 0.14 -1.54 -1.07 0.00 0.00 179.97 177.10 2wh3 s SER 38 N -4.06 6.09 0.42 7.04 1.04 0.18 -4.90 113.70 119.51 2wh3 s SER 38 Ca -0.02 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 57.20 2wh3 s SER 38 Cb 0.06 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 64.00 2wh3 s SER 38 CO 0.20 -0.71 0.78 -0.89 0.98 0.00 0.00 173.24 173.60 2wh3 s THR 39 N -2.83 4.78 -1.22 2.02 2.01 -1.26 -3.17 115.64 115.97 2wh3 s THR 39 Ca 0.49 0.63 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 2wh3 s THR 39 Cb -0.10 -3.74 0.20 0.00 0.01 0.00 0.00 72.50 68.87 2wh3 s THR 39 CO 0.45 -0.55 1.66 -0.38 -0.69 0.00 0.00 174.62 175.12 2wh3 n ILE 40 N -1.36 4.54 -1.31 1.82 5.41 -0.36 -4.92 119.36 123.17 2wh3 n ILE 40 Ca 0.03 -4.83 -0.41 0.00 1.00 0.00 0.00 62.75 58.54 2wh3 n ILE 40 Cb 0.54 -2.34 0.01 0.00 -0.71 0.00 0.00 39.64 37.13 2wh3 n ILE 40 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2wh3 n VAL 41 N 3.16 0.71 -0.68 1.39 0.31 -1.26 -4.47 118.33 117.48 2wh3 n VAL 41 Ca 0.35 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 2wh3 n VAL 41 Cb 0.37 -0.11 0.17 0.00 -0.91 0.00 0.00 33.84 33.36 2wh3 n VAL 41 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wh3 n PRO 42 N 1.19 -1.14 0.00 5.55 -0.02 -1.26 -2.96 135.00 136.36 2wh3 n PRO 42 Ca 0.10 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2wh3 n PRO 42 Cb 0.43 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2wh3 n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wh3 n GLU 43 N -2.76 0.00 0.04 -0.52 0.00 -1.26 -4.80 120.64 111.34 2wh3 n GLU 43 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.35 2wh3 n GLU 43 Cb 0.56 0.00 0.21 0.00 0.00 0.00 0.00 31.44 32.22 2wh3 n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2wh3 n MET 44 N 0.00 0.02 -1.19 5.31 2.81 -1.16 -4.70 117.12 118.22 2wh3 n MET 44 Ca 0.00 0.94 -0.37 0.00 -1.81 0.00 0.00 57.70 56.45 2wh3 n MET 44 Cb 0.00 -2.42 0.01 0.00 -0.71 0.00 0.00 33.22 30.10 2wh3 n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wh3 n VAL 45 N -2.78 0.17 0.00 2.03 0.24 -1.26 -3.29 118.33 113.43 2wh3 n VAL 45 Ca 0.12 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2wh3 n VAL 45 Cb 1.22 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 2wh3 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh3 n GLY 46 N 2.31 2.03 3.51 7.63 0.00 -0.86 -4.97 105.19 114.83 2wh3 n GLY 46 Ca 0.08 -0.40 -0.59 0.00 0.00 0.00 0.00 46.02 45.11 2wh3 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wh3 n HIS 47 N 0.00 1.60 -2.79 1.61 8.25 -1.21 -4.39 115.22 118.29 2wh3 n HIS 47 Ca 0.00 0.69 -0.43 0.00 -0.26 0.00 0.00 57.72 57.72 2wh3 n HIS 47 Cb 0.00 -2.37 -0.04 0.00 1.12 0.00 0.00 29.99 28.70 2wh3 n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wh3 s THR 48 N 5.05 4.39 0.28 1.59 -4.23 -1.26 -4.42 115.64 117.04 2wh3 s THR 48 Ca 1.09 0.67 -0.28 0.00 -1.18 0.00 0.00 61.69 61.99 2wh3 s THR 48 Cb -1.26 -4.50 -0.09 0.00 1.34 0.00 0.00 72.50 67.98 2wh3 s THR 48 CO 0.66 -0.97 0.98 -0.63 -0.54 0.00 0.00 174.62 174.11 2wh3 s ILE 49 N 3.97 3.99 -0.81 2.99 1.09 -0.84 -4.39 121.20 127.20 2wh3 s ILE 49 Ca 0.37 1.86 0.02 0.00 -1.10 0.00 0.00 60.65 61.79 2wh3 s ILE 49 Cb -0.10 -4.13 0.32 0.00 -1.06 0.00 0.00 42.46 37.49 2wh3 s ILE 49 CO 0.25 0.34 1.29 0.00 -0.10 0.00 0.00 174.94 176.72 2wh3 n ALA 50 N 1.06 5.15 -1.40 9.38 0.00 -1.03 -0.21 120.51 133.46 2wh3 n ALA 50 Ca -0.00 -4.70 -0.43 0.00 0.00 0.00 0.00 53.44 48.31 2wh3 n ALA 50 Cb 0.48 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 2wh3 n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh3 n VAL 51 N 0.16 1.44 -2.50 0.00 0.31 -1.18 -3.83 118.33 112.72 2wh3 n VAL 51 Ca 0.36 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 2wh3 n VAL 51 Cb 0.34 -0.30 0.12 0.00 -0.91 0.00 0.00 33.84 33.09 2wh3 n VAL 51 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2wh3 s TYR 52 N -1.45 1.58 -0.10 3.52 5.04 -1.24 0.81 117.35 125.51 2wh3 s TYR 52 Ca 0.62 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 55.09 2wh3 s TYR 52 Cb -0.67 -3.13 0.13 0.00 0.35 0.00 0.00 41.96 38.63 2wh3 s TYR 52 CO 0.59 -1.83 1.14 0.27 -1.34 0.00 0.00 175.55 174.38 2wh3 n ASN 53 N -2.96 -1.11 0.00 4.32 6.94 -0.86 -4.82 115.26 116.78 2wh3 n ASN 53 Ca 0.15 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 2wh3 n ASN 53 Cb 0.60 0.41 0.00 0.00 -2.36 0.00 0.00 39.78 38.43 2wh3 n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wh3 n GLY 54 N -0.48 2.82 0.19 4.83 0.00 -1.26 -4.64 105.19 106.65 2wh3 n GLY 54 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2wh3 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wh3 n LYS 55 N -2.00 0.00 -3.83 1.61 4.81 -1.26 -5.15 118.16 112.34 2wh3 n LYS 55 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2wh3 n LYS 55 Cb 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 35.03 34.36 2wh3 n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wh3 s GLN 56 N -1.60 1.87 -0.46 1.64 -2.07 -1.26 -5.13 119.66 112.66 2wh3 s GLN 56 Ca 0.00 -1.18 -0.17 0.00 -1.82 0.00 0.00 55.36 52.19 2wh3 s GLN 56 Cb 0.00 0.54 0.04 0.00 -1.09 0.00 0.00 33.01 32.50 2wh3 s GLN 56 CO 0.00 -0.87 0.48 -1.01 -1.32 0.00 0.00 175.29 172.57 2wh3 s HIS 57 N -2.50 3.15 -0.53 9.60 3.76 -1.26 -2.04 115.29 125.48 2wh3 s HIS 57 Ca 0.16 -0.54 -0.23 0.00 -0.15 0.00 0.00 55.06 54.30 2wh3 s HIS 57 Cb -0.04 -3.13 0.04 0.00 1.11 0.00 0.00 32.58 30.56 2wh3 s HIS 57 CO 0.09 -0.81 0.87 0.14 -0.85 0.00 0.00 174.74 174.18 2wh3 s VAL 58 N 2.16 4.50 -0.83 -0.90 -7.23 0.24 -4.84 120.40 113.50 2wh3 s VAL 58 Ca 0.11 0.21 -0.24 0.00 -1.81 0.00 0.00 61.98 60.25 2wh3 s VAL 58 Cb -0.19 -4.47 -0.17 0.00 0.56 0.00 0.00 36.38 32.11 2wh3 s VAL 58 CO 0.12 -1.00 2.35 -0.81 -0.31 0.00 0.00 175.10 175.45 2wh3 n PRO 59 N 7.16 0.46 -3.43 4.82 -0.04 -1.26 -3.13 135.00 139.58 2wh3 n PRO 59 Ca 0.01 -0.83 -0.38 0.00 -0.04 0.00 0.00 63.50 62.26 2wh3 n PRO 59 Cb 0.47 -3.43 -0.08 0.00 -0.04 0.00 0.00 33.50 30.43 2wh3 n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh3 s VAL 60 N 13.47 5.22 1.10 0.52 0.11 0.71 -4.97 120.40 136.57 2wh3 s VAL 60 Ca 0.95 0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 60.49 2wh3 s VAL 60 Cb -0.20 -3.70 0.24 0.00 -1.53 0.00 0.00 36.38 31.19 2wh3 s VAL 60 CO 0.14 0.28 1.12 -0.47 -3.33 0.00 0.00 175.10 172.83 2wh3 s TYR 61 N 1.18 1.23 -0.15 1.54 5.04 -1.26 -1.99 117.35 122.94 2wh3 s TYR 61 Ca 0.18 0.67 -0.03 0.00 -2.44 0.00 0.00 57.07 55.45 2wh3 s TYR 61 Cb -0.14 -3.42 0.05 0.00 0.35 0.00 0.00 41.96 38.80 2wh3 s TYR 61 CO 0.07 -3.40 0.04 -1.50 -1.34 0.00 0.00 175.55 169.43 2wh3 s ILE 62 N -3.06 0.31 0.26 3.14 1.10 -1.26 -4.77 121.20 116.92 2wh3 s ILE 62 Ca 0.69 -0.27 0.09 0.00 -0.51 0.00 0.00 60.65 60.64 2wh3 s ILE 62 Cb -0.13 -0.77 -0.04 0.00 0.15 0.00 0.00 42.46 41.67 2wh3 s ILE 62 CO 0.56 -0.11 0.07 0.28 -2.11 0.00 0.00 174.94 173.63 2wh3 s THR 63 N 1.97 3.83 -1.29 4.00 -1.32 -1.26 -2.03 115.64 119.52 2wh3 s THR 63 Ca 0.01 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2wh3 s THR 63 Cb -0.16 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 2wh3 s THR 63 CO -0.07 -0.36 0.61 -1.84 -2.21 0.00 0.00 174.62 170.75 2wh3 n GLU 64 N -0.97 0.95 -0.02 7.08 0.28 -1.26 -2.55 120.64 124.14 2wh3 n GLU 64 Ca -0.07 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.00 2wh3 n GLU 64 Cb 0.58 -1.34 -0.16 0.00 1.43 0.00 0.00 31.44 31.96 2wh3 n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2wh3 n ASN 65 N -0.13 0.27 -2.60 -1.84 4.13 -1.26 -4.43 115.26 109.40 2wh3 n ASN 65 Ca 0.00 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.92 2wh3 n ASN 65 Cb 0.17 1.77 0.03 0.00 -1.54 0.00 0.00 39.78 40.21 2wh3 n ASN 65 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 2wh3 n MET 66 N -2.30 3.04 -0.09 3.52 0.00 -1.06 -4.75 117.12 115.48 2wh3 n MET 66 Ca -0.09 -3.86 -0.17 0.00 0.00 0.00 0.00 57.70 53.58 2wh3 n MET 66 Cb 0.64 -2.27 -0.12 0.00 0.00 0.00 0.00 33.22 31.48 2wh3 n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2wh3 h VAL 67 N 2.05 1.30 0.00 3.17 2.07 -1.77 -3.33 116.25 119.74 2wh3 h VAL 67 Ca 0.47 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2wh3 h VAL 67 Cb 0.57 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2wh3 h VAL 67 CO 1.21 0.44 0.00 0.61 0.02 0.00 0.00 177.57 179.85 2wh3 n GLY 68 N 1.53 -0.62 3.90 2.17 0.00 -1.26 -3.25 105.19 107.65 2wh3 n GLY 68 Ca -0.21 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2wh3 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wh3 s HIS 69 N -2.36 3.51 0.00 1.61 3.76 -1.25 -4.82 115.29 115.74 2wh3 s HIS 69 Ca 0.16 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 2wh3 s HIS 69 Cb 0.09 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.49 2wh3 s HIS 69 CO 0.19 -0.12 0.00 1.63 -0.85 0.00 0.00 174.74 175.59 2wh3 n LYS 70 N -1.68 3.21 0.00 1.40 4.76 -1.26 -1.23 118.16 123.36 2wh3 n LYS 70 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wh3 n LYS 70 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2wh3 n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wh3 n LEU 71 N 0.00 0.00 0.27 -0.35 4.77 -0.94 -4.51 117.00 116.23 2wh3 n LEU 71 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2wh3 n LEU 71 Cb 0.00 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.82 2wh3 n LEU 71 CO 0.00 0.00 1.04 1.23 -1.33 0.00 0.00 177.39 178.33 2wh3 h GLY 72 N 0.00 0.00 -1.58 -0.72 0.00 -1.88 -1.16 103.07 97.74 2wh3 h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wh3 h GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2wh3 n GLU 73 N -4.07 0.80 -2.42 4.80 1.02 -1.26 -2.81 120.64 116.71 2wh3 n GLU 73 Ca -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 2wh3 n GLU 73 Cb 0.15 -1.23 0.08 0.00 -0.02 0.00 0.00 31.44 30.42 2wh3 n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wh3 n PHE 74 N 0.39 -1.11 -2.68 -0.32 3.72 -0.44 -4.98 117.46 112.04 2wh3 n PHE 74 Ca 0.00 -1.57 -0.04 0.00 -0.05 0.00 0.00 57.45 55.79 2wh3 n PHE 74 Cb 0.32 1.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.93 2wh3 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wh3 n ALA 75 N -1.09 -3.58 -1.63 4.37 0.00 -1.12 -4.82 120.51 112.65 2wh3 n ALA 75 Ca -0.14 -0.12 -0.48 0.00 0.00 0.00 0.00 53.44 52.70 2wh3 n ALA 75 Cb 0.85 -3.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.12 2wh3 n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wh3 n PRO 76 N 2.29 1.60 0.10 0.00 -0.04 -1.26 -4.88 135.00 132.80 2wh3 n PRO 76 Ca 0.09 0.57 -0.03 0.00 -0.04 0.00 0.00 63.50 64.09 2wh3 n PRO 76 Cb 0.66 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 2wh3 n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wh3 h THR 77 N 3.16 1.44 -1.61 0.52 1.35 -1.89 -3.47 112.91 112.41 2wh3 h THR 77 Ca -0.45 -2.86 -0.43 0.00 -0.55 0.00 0.00 66.41 62.12 2wh3 h THR 77 Cb 1.30 2.60 0.03 0.00 -1.73 0.00 0.00 68.15 70.35 2wh3 h THR 77 CO 0.78 0.78 -0.19 -0.13 -0.25 0.00 0.00 175.52 176.51 2wh3 s ARG 78 N -2.95 2.71 -0.18 4.72 0.52 -1.26 -5.00 118.95 117.51 2wh3 s ARG 78 Ca 0.01 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 2wh3 s ARG 78 Cb 0.10 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.89 2wh3 s ARG 78 CO 0.79 -0.43 -0.16 0.99 0.02 0.00 0.00 175.30 176.50 2wh3 s THR 79 N -2.47 2.39 0.00 0.02 2.01 -1.26 -4.57 115.64 111.75 2wh3 s THR 79 Ca 0.56 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.73 2wh3 s THR 79 Cb -0.10 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.39 2wh3 s THR 79 CO 0.35 0.51 0.00 0.00 -0.69 0.00 0.00 174.62 174.79 2wh3 n TYR 80 N 4.57 0.00 -0.44 4.92 9.36 -1.26 -5.14 117.16 129.17 2wh3 n TYR 80 Ca -0.20 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.78 2wh3 n TYR 80 Cb 0.50 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.42 2wh3 n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wh3 n ARG 81 N 0.00 -3.08 0.00 2.98 5.12 -1.26 -5.27 116.66 115.15 2wh3 n ARG 81 Ca 0.00 -0.91 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 2wh3 n ARG 81 Cb 0.00 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 2wh3 n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11