#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 n LEU 5 N 0.00 0.00 -0.13 -3.43 7.99 -1.26 -5.02 117.00 115.15 2wh1 n LEU 5 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.14 2wh1 n LEU 5 Cb 0.00 0.00 0.51 0.00 -0.11 0.00 0.00 43.42 43.82 2wh1 n LEU 5 CO 0.00 0.00 0.77 2.29 -1.51 0.00 0.00 177.39 178.94 2wh1 n LYS 6 N 0.00 0.60 -3.84 3.23 0.00 -1.26 -4.55 118.16 112.34 2wh1 n LYS 6 Ca 0.00 -0.26 -0.34 0.00 -0.00 0.00 0.00 58.31 57.71 2wh1 n LYS 6 Cb 0.00 -1.49 -0.12 0.00 -0.00 0.00 0.00 35.03 33.41 2wh1 n LYS 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wh1 s LYS 7 N -2.58 2.00 0.37 -1.58 2.47 -1.26 -5.03 119.74 114.13 2wh1 s LYS 7 Ca 0.25 -2.10 0.00 0.00 -1.56 0.00 0.00 55.97 52.56 2wh1 s LYS 7 Cb 0.19 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 33.07 2wh1 s LYS 7 CO 0.51 -1.07 0.00 0.41 0.16 0.00 0.00 175.35 175.37 2wh1 n GLY 8 N 4.08 -1.93 0.00 5.54 0.00 -1.26 -4.77 105.19 106.84 2wh1 n GLY 8 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2wh1 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh1 n VAL 9 N -0.02 0.08 -0.48 1.61 0.31 -1.26 -5.00 118.33 113.57 2wh1 n VAL 9 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2wh1 n VAL 9 Cb 0.00 1.46 0.00 0.00 -0.91 0.00 0.00 33.84 34.39 2wh1 n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wh1 n PHE 10 N -0.04 -0.48 -1.89 3.52 -1.74 -1.26 -4.44 117.46 111.13 2wh1 n PHE 10 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2wh1 n PHE 10 Cb 0.28 -0.58 -0.03 0.00 1.52 0.00 0.00 39.48 40.68 2wh1 n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2wh1 s VAL 11 N -0.48 3.38 0.05 1.97 0.11 -1.26 -4.82 120.40 119.34 2wh1 s VAL 11 Ca 0.00 0.42 -0.26 0.00 -2.93 0.00 0.00 61.98 59.22 2wh1 s VAL 11 Cb 0.00 -3.38 -0.14 0.00 -1.53 0.00 0.00 36.38 31.34 2wh1 s VAL 11 CO 0.00 -0.15 0.63 0.47 -3.33 0.00 0.00 175.10 172.72 2wh1 n ASP 12 N 8.96 -0.32 -0.03 3.54 10.43 -1.26 -4.83 116.55 133.04 2wh1 n ASP 12 Ca 0.22 0.83 -0.14 0.00 2.57 0.00 0.00 54.79 58.26 2wh1 n ASP 12 Cb 0.44 -0.67 -0.10 0.00 1.84 0.00 0.00 41.12 42.63 2wh1 n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wh1 h ASP 13 N 1.66 0.22 0.00 -2.24 5.19 -2.00 -3.12 116.42 116.13 2wh1 h ASP 13 Ca -0.31 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 2wh1 h ASP 13 Cb 1.03 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2wh1 h ASP 13 CO 0.45 0.80 0.21 0.00 -3.12 0.00 0.00 179.24 177.59 2wh1 n HIS 14 N -4.60 0.00 -0.11 4.55 1.44 -1.26 0.24 115.22 115.47 2wh1 n HIS 14 Ca -0.08 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.38 2wh1 n HIS 14 Cb 0.40 -0.28 -0.11 0.00 0.12 0.00 0.00 29.99 30.12 2wh1 n HIS 14 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2wh1 n LEU 15 N -1.27 2.17 0.38 2.39 -0.00 -1.19 -3.83 117.00 115.64 2wh1 n LEU 15 Ca 0.00 0.27 -0.17 0.00 -0.00 0.00 0.00 56.01 56.11 2wh1 n LEU 15 Cb 0.21 -0.91 -0.09 0.00 -0.00 0.00 0.00 43.42 42.64 2wh1 n LEU 15 CO 0.00 0.58 0.54 -0.07 -0.00 0.00 0.00 177.39 178.44 2wh1 h LEU 16 N -0.73 -0.81 -1.71 -1.96 4.07 -0.16 0.19 115.31 114.20 2wh1 h LEU 16 Ca -0.55 0.00 0.38 0.00 0.08 0.00 0.00 57.88 57.78 2wh1 h LEU 16 Cb 1.62 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 43.52 2wh1 h LEU 16 CO -0.26 -0.50 1.10 -0.08 -1.08 0.00 0.00 178.44 177.62 2wh1 h GLU 17 N -1.08 0.00 0.04 1.13 4.81 -0.97 0.55 114.58 119.06 2wh1 h GLU 17 Ca -0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2wh1 h GLU 17 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2wh1 h GLU 17 CO 0.16 0.00 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.20 2wh1 h LYS 18 N 0.00 -0.05 -1.83 1.92 1.63 -1.36 -3.29 116.57 113.60 2wh1 h LYS 18 Ca 0.62 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.26 2wh1 h LYS 18 Cb 2.81 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 34.38 2wh1 h LYS 18 CO -0.01 0.45 0.14 0.28 -3.45 0.00 0.00 179.45 176.86 2wh1 n VAL 19 N -4.74 2.44 0.00 2.00 0.31 0.19 -2.23 118.33 116.29 2wh1 n VAL 19 Ca -0.06 -1.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 2wh1 n VAL 19 Cb 0.25 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 2wh1 n VAL 19 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wh1 n LEU 20 N 1.14 0.38 0.13 7.52 4.77 -0.77 -4.25 117.00 125.92 2wh1 n LEU 20 Ca 0.17 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 2wh1 n LEU 20 Cb 0.57 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.50 2wh1 n LEU 20 CO 0.17 -0.06 -0.31 -0.33 -1.33 0.00 0.00 177.39 175.53 2wh1 h GLU 21 N 0.00 0.51 0.00 3.23 5.08 -1.62 0.41 114.58 122.19 2wh1 h GLU 21 Ca 0.00 -0.87 -0.03 0.00 -1.00 0.00 0.00 59.36 57.46 2wh1 h GLU 21 Cb 0.18 0.33 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wh1 h GLU 21 CO 0.00 1.42 -0.13 -0.07 -1.00 0.00 0.00 179.01 179.22 2wh1 h LEU 22 N 0.13 0.00 0.00 1.33 -0.00 -1.72 -3.15 115.31 111.91 2wh1 h LEU 22 Ca -0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2wh1 h LEU 22 Cb 2.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.82 2wh1 h LEU 22 CO 0.25 0.13 -0.02 -1.13 -0.00 0.00 0.00 178.44 177.68 2wh1 h ASN 23 N 0.00 0.01 -1.63 -0.43 -1.24 -1.69 -3.18 115.58 107.41 2wh1 h ASN 23 Ca -0.00 -0.93 -0.55 0.00 0.71 0.00 0.00 56.30 55.54 2wh1 h ASN 23 Cb 0.82 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.87 2wh1 h ASN 23 CO 0.02 0.94 1.56 0.00 -1.29 0.00 0.00 177.43 178.65 2wh1 n ALA 24 N -2.57 1.24 -2.37 1.57 0.00 0.14 -0.34 120.51 118.18 2wh1 n ALA 24 Ca -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 2wh1 n ALA 24 Cb 0.45 -2.97 0.01 0.00 0.00 0.00 0.00 19.45 16.95 2wh1 n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh1 n LYS 25 N 8.78 -0.61 0.00 0.00 5.02 -1.26 -4.89 118.16 125.21 2wh1 n LYS 25 Ca 0.36 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2wh1 n LYS 25 Cb 0.44 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 2wh1 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh1 n GLY 26 N -0.80 0.00 0.00 0.72 0.00 0.54 -4.97 105.19 100.68 2wh1 n GLY 26 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wh1 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh1 n GLU 27 N 0.00 0.00 0.00 1.61 4.71 -1.20 -5.06 120.64 120.70 2wh1 n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2wh1 n GLU 27 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2wh1 n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wh1 n LYS 28 N 0.00 2.94 0.00 3.49 4.76 -1.26 -5.02 118.16 123.08 2wh1 n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wh1 n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wh1 n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wh1 n ARG 29 N -0.00 0.04 -1.52 1.97 -4.01 -1.26 -4.88 116.66 107.00 2wh1 n ARG 29 Ca 0.00 0.00 -0.28 0.00 -1.04 0.00 0.00 57.85 56.53 2wh1 n ARG 29 Cb 0.00 -0.01 -0.14 0.00 -3.04 0.00 0.00 32.46 29.27 2wh1 n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wh1 n LEU 30 N -0.33 0.31 -3.50 2.89 0.00 -1.26 -4.58 117.00 110.53 2wh1 n LEU 30 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 56.01 55.21 2wh1 n LEU 30 Cb 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 43.42 42.26 2wh1 n LEU 30 CO 0.00 -1.48 -0.31 -0.51 0.00 0.00 0.00 177.39 175.09 2wh1 s ILE 31 N 7.59 0.39 1.05 1.96 2.07 -1.26 -5.10 121.20 127.89 2wh1 s ILE 31 Ca 1.20 -1.93 -0.14 0.00 -1.41 0.00 0.00 60.65 58.38 2wh1 s ILE 31 Cb -0.72 -1.29 0.21 0.00 0.13 0.00 0.00 42.46 40.80 2wh1 s ILE 31 CO 0.40 -0.99 1.10 -0.54 -1.91 0.00 0.00 174.94 173.00 2wh1 s LYS 32 N 0.87 0.00 0.04 3.50 1.02 -1.26 -2.46 119.74 121.45 2wh1 s LYS 32 Ca 0.19 0.36 -0.26 0.00 0.02 0.00 0.00 55.97 56.28 2wh1 s LYS 32 Cb -0.22 -1.70 0.09 0.00 -0.52 0.00 0.00 37.83 35.48 2wh1 s LYS 32 CO -0.00 -2.98 1.19 -2.37 -0.92 0.00 0.00 175.35 170.26 2wh1 n THR 33 N -4.33 0.00 -1.78 2.17 5.66 -1.26 -4.83 114.28 109.92 2wh1 n THR 33 Ca 0.07 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2wh1 n THR 33 Cb 0.58 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 2wh1 n THR 33 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2wh1 n TRP 34 N -0.85 0.00 0.47 1.09 8.01 -1.26 -3.63 117.44 121.27 2wh1 n TRP 34 Ca 0.03 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.21 2wh1 n TRP 34 Cb 0.57 0.10 0.09 0.00 -2.01 0.00 0.00 31.31 30.07 2wh1 n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wh1 n SER 35 N 0.00 2.52 -0.45 -0.99 3.41 -1.26 -4.47 113.62 112.38 2wh1 n SER 35 Ca 0.00 -2.30 0.37 0.00 -0.26 0.00 0.00 58.87 56.68 2wh1 n SER 35 Cb 0.46 -0.56 0.66 0.00 -0.26 0.00 0.00 64.21 64.51 2wh1 n SER 35 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2wh1 h ARG 36 N 0.87 0.10 -0.09 4.33 0.11 -1.92 0.47 114.38 118.25 2wh1 h ARG 36 Ca 0.04 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.14 2wh1 h ARG 36 Cb 1.06 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 2wh1 h ARG 36 CO 0.18 0.07 0.48 0.00 0.10 0.00 0.00 179.97 180.79 2wh1 h ARG 37 N 0.10 0.00 -7.12 0.08 3.08 -1.96 -2.44 114.38 106.12 2wh1 h ARG 37 Ca 0.80 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 60.35 2wh1 h ARG 37 Cb 2.57 0.00 0.05 0.00 0.08 0.00 0.00 29.97 32.67 2wh1 h ARG 37 CO -0.35 0.00 0.22 -1.54 -1.07 0.00 0.00 179.97 177.23 2wh1 s SER 38 N -4.30 6.04 0.41 7.04 1.04 0.16 -4.90 113.70 119.19 2wh1 s SER 38 Ca -0.03 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 57.32 2wh1 s SER 38 Cb 0.08 -2.15 -0.06 0.00 0.10 0.00 0.00 66.02 63.99 2wh1 s SER 38 CO 0.27 -0.82 0.76 -0.89 0.98 0.00 0.00 173.24 173.55 2wh1 s THR 39 N -2.95 4.82 -1.22 2.02 2.01 -1.26 -3.20 115.64 115.85 2wh1 s THR 39 Ca 0.51 0.53 -0.10 0.00 0.31 0.00 0.00 61.69 62.95 2wh1 s THR 39 Cb -0.11 -3.75 0.20 0.00 0.01 0.00 0.00 72.50 68.85 2wh1 s THR 39 CO 0.48 -0.55 1.64 -0.38 -0.69 0.00 0.00 174.62 175.12 2wh1 n ILE 40 N -1.39 4.47 -1.33 1.82 5.41 -0.31 -4.92 119.36 123.10 2wh1 n ILE 40 Ca 0.02 -4.77 -0.41 0.00 1.00 0.00 0.00 62.75 58.59 2wh1 n ILE 40 Cb 0.54 -2.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 2wh1 n ILE 40 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2wh1 n VAL 41 N 3.39 0.88 -0.68 1.39 0.31 -1.26 -4.48 118.33 117.89 2wh1 n VAL 41 Ca 0.36 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 2wh1 n VAL 41 Cb 0.38 -0.16 0.17 0.00 -0.91 0.00 0.00 33.84 33.32 2wh1 n VAL 41 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wh1 n PRO 42 N 1.11 -1.23 0.00 5.55 -0.02 -1.26 -2.89 135.00 136.25 2wh1 n PRO 42 Ca 0.11 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2wh1 n PRO 42 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2wh1 n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wh1 n GLU 43 N -2.65 0.00 0.07 -0.52 0.00 -1.26 -4.80 120.64 111.47 2wh1 n GLU 43 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.33 2wh1 n GLU 43 Cb 0.57 0.00 0.20 0.00 0.00 0.00 0.00 31.44 32.21 2wh1 n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2wh1 n MET 44 N 0.00 0.02 -1.20 5.31 2.81 -1.14 -4.70 117.12 118.22 2wh1 n MET 44 Ca 0.00 0.94 -0.38 0.00 -1.81 0.00 0.00 57.70 56.45 2wh1 n MET 44 Cb 0.00 -2.45 0.00 0.00 -0.71 0.00 0.00 33.22 30.07 2wh1 n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wh1 n VAL 45 N -2.77 0.31 0.00 2.03 0.24 -1.26 -3.32 118.33 113.56 2wh1 n VAL 45 Ca 0.11 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2wh1 n VAL 45 Cb 1.20 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 2wh1 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh1 n GLY 46 N 2.26 1.93 3.53 7.63 0.00 -0.81 -4.97 105.19 114.76 2wh1 n GLY 46 Ca 0.09 -0.43 -0.60 0.00 0.00 0.00 0.00 46.02 45.09 2wh1 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wh1 n HIS 47 N 0.00 1.62 -2.81 1.61 8.25 -1.21 -4.38 115.22 118.29 2wh1 n HIS 47 Ca 0.00 0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 57.74 2wh1 n HIS 47 Cb 0.00 -2.36 -0.04 0.00 1.12 0.00 0.00 29.99 28.71 2wh1 n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wh1 s THR 48 N 4.90 4.43 0.28 1.59 -4.23 -1.26 -4.42 115.64 116.93 2wh1 s THR 48 Ca 1.09 0.64 -0.28 0.00 -1.18 0.00 0.00 61.69 61.95 2wh1 s THR 48 Cb -1.27 -4.47 -0.09 0.00 1.34 0.00 0.00 72.50 68.00 2wh1 s THR 48 CO 0.67 -0.93 0.97 -0.63 -0.54 0.00 0.00 174.62 174.15 2wh1 s ILE 49 N 3.86 4.03 -0.80 2.99 1.09 -0.91 -4.38 121.20 127.08 2wh1 s ILE 49 Ca 0.36 1.90 0.02 0.00 -1.10 0.00 0.00 60.65 61.83 2wh1 s ILE 49 Cb -0.11 -4.15 0.32 0.00 -1.06 0.00 0.00 42.46 37.46 2wh1 s ILE 49 CO 0.25 0.35 1.29 0.00 -0.10 0.00 0.00 174.94 176.72 2wh1 n ALA 50 N 1.08 5.14 -1.40 9.38 0.00 -1.03 -0.39 120.51 133.29 2wh1 n ALA 50 Ca -0.00 -4.70 -0.44 0.00 0.00 0.00 0.00 53.44 48.30 2wh1 n ALA 50 Cb 0.48 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2wh1 n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh1 n VAL 51 N 0.16 1.49 -2.46 0.00 0.31 -1.18 -3.82 118.33 112.84 2wh1 n VAL 51 Ca 0.36 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.94 2wh1 n VAL 51 Cb 0.34 -0.28 0.12 0.00 -0.91 0.00 0.00 33.84 33.12 2wh1 n VAL 51 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2wh1 s TYR 52 N -1.39 1.57 -0.12 3.52 5.04 -1.24 0.90 117.35 125.64 2wh1 s TYR 52 Ca 0.62 -0.17 0.05 0.00 -2.44 0.00 0.00 57.07 55.13 2wh1 s TYR 52 Cb -0.70 -3.21 0.15 0.00 0.35 0.00 0.00 41.96 38.55 2wh1 s TYR 52 CO 0.59 -1.90 1.17 0.27 -1.34 0.00 0.00 175.55 174.34 2wh1 n ASN 53 N -3.02 -1.14 0.00 4.32 6.94 -0.87 -4.82 115.26 116.68 2wh1 n ASN 53 Ca 0.15 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 2wh1 n ASN 53 Cb 0.60 0.43 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 2wh1 n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wh1 n GLY 54 N -0.56 2.85 0.31 4.83 0.00 -1.26 -4.64 105.19 106.71 2wh1 n GLY 54 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2wh1 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wh1 n LYS 55 N -2.00 0.00 -3.83 1.61 4.81 -1.26 -5.15 118.16 112.34 2wh1 n LYS 55 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2wh1 n LYS 55 Cb 0.00 -0.68 0.02 0.00 0.02 0.00 0.00 35.03 34.39 2wh1 n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wh1 s GLN 56 N -1.66 1.92 -0.47 1.64 -2.07 -1.26 -5.13 119.66 112.63 2wh1 s GLN 56 Ca 0.00 -1.21 -0.17 0.00 -1.82 0.00 0.00 55.36 52.15 2wh1 s GLN 56 Cb 0.00 0.55 0.05 0.00 -1.09 0.00 0.00 33.01 32.52 2wh1 s GLN 56 CO 0.00 -0.90 0.49 -1.01 -1.32 0.00 0.00 175.29 172.56 2wh1 s HIS 57 N -2.50 3.15 -0.52 9.60 3.76 -1.26 -2.05 115.29 125.47 2wh1 s HIS 57 Ca 0.16 -0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 54.23 2wh1 s HIS 57 Cb -0.04 -3.22 0.04 0.00 1.11 0.00 0.00 32.58 30.47 2wh1 s HIS 57 CO 0.09 -0.85 0.90 0.14 -0.85 0.00 0.00 174.74 174.17 2wh1 s VAL 58 N 2.17 4.46 -0.84 -0.90 -7.23 0.26 -4.84 120.40 113.48 2wh1 s VAL 58 Ca 0.11 0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 60.36 2wh1 s VAL 58 Cb -0.20 -4.49 -0.17 0.00 0.56 0.00 0.00 36.38 32.09 2wh1 s VAL 58 CO 0.11 -1.01 2.34 -0.81 -0.31 0.00 0.00 175.10 175.42 2wh1 n PRO 59 N 7.26 0.45 -3.42 4.82 -0.04 -1.26 -3.10 135.00 139.71 2wh1 n PRO 59 Ca 0.02 -0.90 -0.38 0.00 -0.04 0.00 0.00 63.50 62.20 2wh1 n PRO 59 Cb 0.48 -3.51 -0.07 0.00 -0.04 0.00 0.00 33.50 30.35 2wh1 n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh1 s VAL 60 N 14.02 5.22 1.09 0.52 0.11 0.47 -4.97 120.40 136.87 2wh1 s VAL 60 Ca 0.93 0.67 -0.16 0.00 -2.93 0.00 0.00 61.98 60.49 2wh1 s VAL 60 Cb -0.17 -3.71 0.23 0.00 -1.53 0.00 0.00 36.38 31.21 2wh1 s VAL 60 CO 0.13 0.28 1.11 -0.47 -3.33 0.00 0.00 175.10 172.82 2wh1 s TYR 61 N 1.14 1.36 -0.17 1.54 5.04 -1.26 -2.14 117.35 122.86 2wh1 s TYR 61 Ca 0.18 0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 55.50 2wh1 s TYR 61 Cb -0.14 -3.40 0.05 0.00 0.35 0.00 0.00 41.96 38.82 2wh1 s TYR 61 CO 0.07 -3.33 0.04 -1.50 -1.34 0.00 0.00 175.55 169.49 2wh1 s ILE 62 N -3.05 0.39 0.25 3.14 1.10 -1.26 -4.78 121.20 116.98 2wh1 s ILE 62 Ca 0.68 -0.36 0.08 0.00 -0.51 0.00 0.00 60.65 60.55 2wh1 s ILE 62 Cb -0.14 -0.86 -0.04 0.00 0.15 0.00 0.00 42.46 41.58 2wh1 s ILE 62 CO 0.56 -0.13 0.06 0.28 -2.11 0.00 0.00 174.94 173.60 2wh1 s THR 63 N 1.93 3.81 -1.32 4.00 -1.32 -1.26 -1.92 115.64 119.55 2wh1 s THR 63 Ca 0.01 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 2wh1 s THR 63 Cb -0.16 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.80 2wh1 s THR 63 CO -0.08 -0.33 0.61 -1.84 -2.21 0.00 0.00 174.62 170.77 2wh1 n GLU 64 N -0.88 0.92 -0.03 7.08 0.28 -1.26 -2.53 120.64 124.22 2wh1 n GLU 64 Ca -0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.99 2wh1 n GLU 64 Cb 0.58 -1.31 -0.16 0.00 1.43 0.00 0.00 31.44 31.98 2wh1 n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2wh1 n ASN 65 N -0.13 0.25 -2.62 -1.84 4.13 -1.26 -4.42 115.26 109.36 2wh1 n ASN 65 Ca 0.00 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.92 2wh1 n ASN 65 Cb 0.16 1.74 0.03 0.00 -1.54 0.00 0.00 39.78 40.17 2wh1 n ASN 65 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 2wh1 n MET 66 N -2.33 3.04 -0.08 3.52 0.00 -1.05 -4.75 117.12 115.46 2wh1 n MET 66 Ca -0.10 -3.86 -0.16 0.00 0.00 0.00 0.00 57.70 53.58 2wh1 n MET 66 Cb 0.67 -2.27 -0.11 0.00 0.00 0.00 0.00 33.22 31.51 2wh1 n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2wh1 h VAL 67 N 2.06 1.23 0.00 3.17 2.07 -1.77 -3.33 116.25 119.67 2wh1 h VAL 67 Ca 0.47 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2wh1 h VAL 67 Cb 0.55 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2wh1 h VAL 67 CO 1.21 0.42 0.00 0.61 0.02 0.00 0.00 177.57 179.83 2wh1 n GLY 68 N 1.54 -0.60 3.90 2.17 0.00 -1.26 -3.25 105.19 107.68 2wh1 n GLY 68 Ca -0.19 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2wh1 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wh1 s HIS 69 N -2.35 3.51 0.00 1.61 3.76 -1.25 -4.82 115.29 115.75 2wh1 s HIS 69 Ca 0.15 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 2wh1 s HIS 69 Cb 0.09 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.49 2wh1 s HIS 69 CO 0.18 -0.12 0.00 1.63 -0.85 0.00 0.00 174.74 175.58 2wh1 n LYS 70 N -1.69 3.17 0.00 1.40 4.76 -1.26 -1.16 118.16 123.38 2wh1 n LYS 70 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wh1 n LYS 70 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2wh1 n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wh1 n LEU 71 N 0.00 0.00 0.27 -0.35 4.77 -0.92 -4.51 117.00 116.25 2wh1 n LEU 71 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2wh1 n LEU 71 Cb 0.00 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 41.84 2wh1 n LEU 71 CO 0.00 0.00 1.03 1.23 -1.33 0.00 0.00 177.39 178.32 2wh1 h GLY 72 N 0.00 0.00 -1.57 -0.72 0.00 -1.87 -1.36 103.07 97.55 2wh1 h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wh1 h GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2wh1 n GLU 73 N -3.95 0.85 -2.28 4.80 1.02 -1.26 -2.92 120.64 116.91 2wh1 n GLU 73 Ca -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 2wh1 n GLU 73 Cb 0.16 -1.23 0.07 0.00 -0.02 0.00 0.00 31.44 30.42 2wh1 n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wh1 n PHE 74 N 0.36 -0.93 -2.68 -0.32 3.72 -0.51 -4.98 117.46 112.13 2wh1 n PHE 74 Ca 0.00 -1.46 -0.04 0.00 -0.05 0.00 0.00 57.45 55.90 2wh1 n PHE 74 Cb 0.33 0.92 0.05 0.00 -0.94 0.00 0.00 39.48 39.84 2wh1 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wh1 n ALA 75 N -0.93 -3.54 -1.62 4.37 0.00 -1.15 -4.81 120.51 112.83 2wh1 n ALA 75 Ca -0.14 -0.16 -0.48 0.00 0.00 0.00 0.00 53.44 52.66 2wh1 n ALA 75 Cb 0.85 -3.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 2wh1 n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wh1 n PRO 76 N 2.22 1.55 0.10 0.00 -0.04 -1.26 -4.88 135.00 132.70 2wh1 n PRO 76 Ca 0.08 0.56 -0.03 0.00 -0.04 0.00 0.00 63.50 64.07 2wh1 n PRO 76 Cb 0.66 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 2wh1 n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wh1 h THR 77 N 3.15 1.41 -1.58 0.52 1.35 -1.89 -3.47 112.91 112.41 2wh1 h THR 77 Ca -0.45 -2.78 -0.44 0.00 -0.55 0.00 0.00 66.41 62.19 2wh1 h THR 77 Cb 1.31 2.56 0.03 0.00 -1.73 0.00 0.00 68.15 70.31 2wh1 h THR 77 CO 0.78 0.76 -0.17 -0.13 -0.25 0.00 0.00 175.52 176.50 2wh1 s ARG 78 N -2.99 2.63 -0.17 4.72 0.52 -1.26 -5.00 118.95 117.39 2wh1 s ARG 78 Ca 0.01 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.02 2wh1 s ARG 78 Cb 0.10 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.92 2wh1 s ARG 78 CO 0.78 -0.52 -0.20 0.99 0.02 0.00 0.00 175.30 176.38 2wh1 s THR 79 N -2.52 2.14 0.00 0.02 2.01 -1.26 -4.58 115.64 111.45 2wh1 s THR 79 Ca 0.57 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.65 2wh1 s THR 79 Cb -0.09 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.53 2wh1 s THR 79 CO 0.36 0.54 0.00 0.00 -0.69 0.00 0.00 174.62 174.82 2wh1 n TYR 80 N 4.41 0.00 -0.45 4.92 9.36 -1.26 -5.14 117.16 129.00 2wh1 n TYR 80 Ca -0.20 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.78 2wh1 n TYR 80 Cb 0.51 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.42 2wh1 n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wh1 n ARG 81 N 0.00 -2.97 0.00 2.98 5.12 -1.26 -5.27 116.66 115.26 2wh1 n ARG 81 Ca 0.00 -0.88 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 2wh1 n ARG 81 Cb 0.00 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 2wh1 n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11