#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n LEU 5 N 0.00 -1.22 0.00 -3.43 7.99 -1.26 -5.03 117.00 114.06 2wdm n LEU 5 Ca 0.00 2.27 0.00 0.00 -0.01 0.00 0.00 56.01 58.27 2wdm n LEU 5 Cb 0.00 -2.51 0.00 0.00 -0.11 0.00 0.00 43.42 40.80 2wdm n LEU 5 CO 0.00 -1.09 0.00 2.29 -1.51 0.00 0.00 177.39 177.08 2wdm n LYS 6 N -2.99 0.00 -3.04 3.23 0.00 -1.26 -4.93 118.16 109.17 2wdm n LYS 6 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.13 2wdm n LYS 6 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.49 2wdm n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wdm n LYS 7 N 0.00 1.01 0.00 -1.58 4.01 -1.26 -5.09 118.16 115.26 2wdm n LYS 7 Ca 0.00 -3.29 0.00 0.00 -0.51 0.00 0.00 58.31 54.51 2wdm n LYS 7 Cb 0.00 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 2wdm n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdm n GLY 8 N 0.19 -0.09 0.00 0.72 0.00 -1.26 -5.03 105.19 99.73 2wdm n GLY 8 Ca 0.20 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2wdm n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdm n VAL 9 N -0.56 0.00 0.00 1.61 0.31 -1.26 -4.93 118.33 113.50 2wdm n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdm n VAL 9 Cb 0.00 0.72 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2wdm n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wdm n PHE 10 N 0.00 0.00 -1.69 3.52 -1.74 -1.26 -4.45 117.46 111.84 2wdm n PHE 10 Ca 0.00 0.00 -0.53 0.00 -0.56 0.00 0.00 57.45 56.36 2wdm n PHE 10 Cb 0.40 -0.27 -0.06 0.00 1.52 0.00 0.00 39.48 41.07 2wdm n PHE 10 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2wdm n VAL 11 N 0.36 0.44 -1.61 1.97 3.14 -1.26 -4.83 118.33 116.54 2wdm n VAL 11 Ca 0.00 -0.09 -0.39 0.00 -2.96 0.00 0.00 64.34 60.90 2wdm n VAL 11 Cb 0.00 -1.56 0.03 0.00 -1.06 0.00 0.00 33.84 31.25 2wdm n VAL 11 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wdm n ASP 12 N 6.15 1.00 0.12 6.55 10.43 -1.26 -4.96 116.55 134.59 2wdm n ASP 12 Ca 0.25 0.91 -0.23 0.00 2.57 0.00 0.00 54.79 58.29 2wdm n ASP 12 Cb 0.21 -1.38 -0.15 0.00 1.84 0.00 0.00 41.12 41.64 2wdm n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wdm h ASP 13 N 0.98 0.73 0.00 -2.24 5.19 -2.02 -3.36 116.42 115.70 2wdm h ASP 13 Ca -0.47 -0.84 0.00 0.00 -0.62 0.00 0.00 57.03 55.10 2wdm h ASP 13 Cb 1.35 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2wdm h ASP 13 CO 0.53 1.67 0.00 0.00 -3.12 0.00 0.00 179.24 178.33 2wdm n HIS 14 N -3.66 0.00 0.06 4.55 1.44 -1.26 -1.78 115.22 114.57 2wdm n HIS 14 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2wdm n HIS 14 Cb 1.09 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.19 2wdm n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wdm n LEU 15 N 0.48 0.94 -0.27 2.39 7.99 -1.26 -4.43 117.00 122.84 2wdm n LEU 15 Ca 0.00 0.18 -0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2wdm n LEU 15 Cb 0.00 -0.24 0.06 0.00 -0.11 0.00 0.00 43.42 43.13 2wdm n LEU 15 CO 0.00 -0.76 0.66 -0.07 -1.51 0.00 0.00 177.39 175.72 2wdm h LEU 16 N 0.00 -0.97 -0.20 2.23 4.07 -1.53 1.58 115.31 120.49 2wdm h LEU 16 Ca 0.00 0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.24 2wdm h LEU 16 Cb 0.00 0.56 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 2wdm h LEU 16 CO 0.00 -0.28 -0.00 -0.08 -1.08 0.00 0.00 178.44 177.00 2wdm h GLU 17 N -0.05 0.06 0.00 1.13 4.81 -1.84 1.90 114.58 120.59 2wdm h GLU 17 Ca 0.33 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2wdm h GLU 17 Cb 0.58 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2wdm h GLU 17 CO -0.81 0.04 0.00 1.17 -0.73 0.00 0.00 179.01 178.68 2wdm n LYS 18 N -5.14 0.00 -0.12 1.92 3.00 0.37 -1.42 118.16 116.78 2wdm n LYS 18 Ca -0.02 0.40 -0.23 0.00 -0.00 0.00 0.00 58.31 58.45 2wdm n LYS 18 Cb 0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 35.03 33.54 2wdm n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wdm n VAL 19 N -1.52 1.30 -0.05 3.15 0.31 0.45 -3.66 118.33 118.31 2wdm n VAL 19 Ca 0.01 -0.38 0.01 0.00 -0.01 0.00 0.00 64.34 63.98 2wdm n VAL 19 Cb 0.07 -1.68 0.33 0.00 -0.91 0.00 0.00 33.84 31.66 2wdm n VAL 19 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wdm h LEU 20 N -0.62 0.57 0.03 7.52 3.38 0.31 0.79 115.31 127.30 2wdm h LEU 20 Ca -0.58 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.07 2wdm h LEU 20 Cb 1.60 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 2wdm h LEU 20 CO -0.29 0.50 -1.40 -0.33 0.09 0.00 0.00 178.44 177.02 2wdm h GLU 21 N 0.64 0.07 0.00 1.13 5.08 -1.44 -3.11 114.58 116.95 2wdm h GLU 21 Ca 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wdm h GLU 21 Cb 0.09 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wdm h GLU 21 CO -0.02 0.87 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.46 2wdm h LEU 22 N 0.02 0.00 0.00 1.33 -0.00 -1.53 -2.99 115.31 112.13 2wdm h LEU 22 Ca -0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2wdm h LEU 22 Cb 1.92 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 2wdm h LEU 22 CO 0.12 0.03 -0.52 -0.46 -0.00 0.00 0.00 178.44 177.61 2wdm n ASN 23 N -2.46 0.52 -4.56 -0.43 0.23 0.27 0.68 115.26 109.51 2wdm n ASN 23 Ca 0.04 -0.17 -0.25 0.00 -0.53 0.00 0.00 54.58 53.67 2wdm n ASN 23 Cb 0.47 0.23 -0.05 0.00 -2.08 0.00 0.00 39.78 38.35 2wdm n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wdm s ALA 24 N -3.03 1.47 -0.12 -2.53 0.00 -1.13 0.77 121.76 117.18 2wdm s ALA 24 Ca 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2wdm s ALA 24 Cb 0.17 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.77 2wdm s ALA 24 CO 0.70 -4.97 0.00 1.63 0.00 0.00 0.00 175.76 173.12 2wdm n LYS 25 N 8.90 -0.13 -3.24 0.00 5.02 -1.26 -4.38 118.16 123.07 2wdm n LYS 25 Ca 0.39 0.40 -0.14 0.00 -2.02 0.00 0.00 58.31 56.94 2wdm n LYS 25 Cb 0.47 -3.84 0.00 0.00 -0.02 0.00 0.00 35.03 31.64 2wdm n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdm n GLY 26 N -2.76 -0.74 0.00 0.72 0.00 0.23 -4.96 105.19 97.68 2wdm n GLY 26 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2wdm n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdm n GLU 27 N -1.71 2.03 0.00 1.61 4.71 0.21 -4.92 120.64 122.58 2wdm n GLU 27 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 2wdm n GLU 27 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 2wdm n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdm n LYS 28 N 0.00 2.28 0.00 3.49 4.76 -1.26 -4.95 118.16 122.48 2wdm n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wdm n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wdm n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdm n ARG 29 N 0.00 0.00 -1.35 1.97 -4.01 -1.26 -4.95 116.66 107.05 2wdm n ARG 29 Ca 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.69 2wdm n ARG 29 Cb 0.00 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.31 2wdm n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wdm n LEU 30 N -0.02 -0.74 -4.14 2.89 0.00 -1.26 -4.36 117.00 109.38 2wdm n LEU 30 Ca 0.00 -1.27 -0.38 0.00 0.00 0.00 0.00 56.01 54.37 2wdm n LEU 30 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 43.42 42.41 2wdm n LEU 30 CO 0.00 -2.01 -0.05 -0.51 0.00 0.00 0.00 177.39 174.82 2wdm s ILE 31 N 4.86 3.69 0.09 1.96 2.07 -1.22 -5.01 121.20 127.64 2wdm s ILE 31 Ca 0.74 -2.32 -0.30 0.00 -1.41 0.00 0.00 60.65 57.35 2wdm s ILE 31 Cb -0.33 -3.45 -0.06 0.00 0.13 0.00 0.00 42.46 38.74 2wdm s ILE 31 CO 0.25 -0.78 1.12 -0.54 -1.91 0.00 0.00 174.94 173.07 2wdm s LYS 32 N 0.75 4.52 0.11 3.50 1.02 -1.26 -2.39 119.74 125.97 2wdm s LYS 32 Ca 0.11 1.68 -0.17 0.00 0.02 0.00 0.00 55.97 57.61 2wdm s LYS 32 Cb -0.22 -3.34 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2wdm s LYS 32 CO -0.03 -0.10 0.42 -0.08 -0.92 0.00 0.00 175.35 174.64 2wdm s THR 33 N 0.58 0.06 -0.21 2.17 -1.32 -1.10 -4.96 115.64 110.86 2wdm s THR 33 Ca 0.54 -0.51 0.16 0.00 -1.21 0.00 0.00 61.69 60.67 2wdm s THR 33 Cb -0.28 -1.11 0.40 0.00 -1.51 0.00 0.00 72.50 70.00 2wdm s THR 33 CO 0.31 -0.28 1.29 0.79 -2.21 0.00 0.00 174.62 174.51 2wdm n TRP 34 N -0.06 0.52 -1.90 9.09 8.01 -1.26 -2.17 117.44 129.67 2wdm n TRP 34 Ca -0.17 -0.87 -0.35 0.00 -1.31 0.00 0.00 57.50 54.80 2wdm n TRP 34 Cb 0.63 -0.22 -0.01 0.00 -2.01 0.00 0.00 31.31 29.70 2wdm n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wdm n SER 35 N -0.75 7.30 0.09 -0.99 3.41 -1.26 -4.56 113.62 116.87 2wdm n SER 35 Ca 0.17 -3.35 0.10 0.00 -0.26 0.00 0.00 58.87 55.53 2wdm n SER 35 Cb 0.73 -1.24 0.43 0.00 -0.26 0.00 0.00 64.21 63.86 2wdm n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wdm n ARG 36 N 0.80 0.13 -1.09 4.33 1.85 -1.26 -2.46 116.66 118.96 2wdm n ARG 36 Ca 0.54 0.42 -0.24 0.00 -1.00 0.00 0.00 57.85 57.56 2wdm n ARG 36 Cb 0.36 -1.77 0.09 0.00 -1.05 0.00 0.00 32.46 30.09 2wdm n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wdm n ARG 37 N -2.01 2.20 -4.16 2.89 -4.01 -1.26 -0.80 116.66 109.51 2wdm n ARG 37 Ca 0.02 -2.51 -0.11 0.00 -1.04 0.00 0.00 57.85 54.20 2wdm n ARG 37 Cb 0.17 -1.99 -0.10 0.00 -3.04 0.00 0.00 32.46 27.50 2wdm n ARG 37 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2wdm s SER 38 N -0.95 1.16 0.47 2.89 1.04 -1.03 -4.76 113.70 112.52 2wdm s SER 38 Ca 0.49 -0.95 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 2wdm s SER 38 Cb 0.39 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2wdm s SER 38 CO 0.03 -0.42 0.79 -0.89 0.98 0.00 0.00 173.24 173.73 2wdm s THR 39 N -3.33 4.88 -0.78 2.02 2.01 -1.26 -1.45 115.64 117.72 2wdm s THR 39 Ca 0.10 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2wdm s THR 39 Cb 0.03 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.80 2wdm s THR 39 CO -0.04 -0.80 1.02 -0.63 -0.69 0.00 0.00 174.62 173.48 2wdm s ILE 40 N -2.69 4.56 0.68 1.82 1.01 -1.11 -4.80 121.20 120.66 2wdm s ILE 40 Ca 0.48 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 2wdm s ILE 40 Cb -0.10 -4.71 -0.02 0.00 0.01 0.00 0.00 42.46 37.63 2wdm s ILE 40 CO 0.43 -1.46 0.85 0.52 0.00 0.00 0.00 174.94 175.28 2wdm n VAL 41 N 5.70 2.87 -1.84 2.92 0.31 -1.26 -4.63 118.33 122.40 2wdm n VAL 41 Ca 0.09 -0.43 -0.41 0.00 -0.01 0.00 0.00 64.34 63.58 2wdm n VAL 41 Cb 0.47 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.38 2wdm n VAL 41 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2wdm s PRO 42 N -2.97 4.15 -0.56 5.55 0.02 -1.26 -3.30 135.00 136.64 2wdm s PRO 42 Ca 0.72 2.52 -0.03 0.00 0.02 0.00 0.00 61.00 64.24 2wdm s PRO 42 Cb -0.37 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2wdm s PRO 42 CO 0.51 -0.55 0.48 0.39 -0.33 0.00 0.00 177.00 177.50 2wdm n GLU 43 N 1.61 -3.22 0.00 5.54 -0.58 -1.26 -4.91 120.64 117.81 2wdm n GLU 43 Ca 0.05 0.35 0.10 0.00 -0.42 0.00 0.00 57.16 57.25 2wdm n GLU 43 Cb 0.39 -3.93 -0.02 0.00 -0.57 0.00 0.00 31.44 27.30 2wdm n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2wdm n MET 44 N -2.39 1.19 -1.25 3.49 2.81 -1.21 -5.00 117.12 114.77 2wdm n MET 44 Ca -0.03 -0.79 -0.39 0.00 -1.81 0.00 0.00 57.70 54.67 2wdm n MET 44 Cb 0.54 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 2wdm n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wdm n VAL 45 N -0.29 0.26 0.00 2.03 0.24 -1.26 -1.55 118.33 117.76 2wdm n VAL 45 Ca 0.08 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2wdm n VAL 45 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2wdm n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdm n GLY 46 N 2.39 1.62 3.70 7.63 0.00 -1.26 -4.96 105.19 114.31 2wdm n GLY 46 Ca 0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2wdm n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wdm s HIS 47 N -0.14 2.94 -0.20 1.61 3.76 -0.60 -4.77 115.29 117.89 2wdm s HIS 47 Ca 0.00 0.74 -0.07 0.00 -0.15 0.00 0.00 55.06 55.58 2wdm s HIS 47 Cb 0.00 -3.77 -0.03 0.00 1.11 0.00 0.00 32.58 29.88 2wdm s HIS 47 CO 0.00 -2.86 0.05 0.95 -0.85 0.00 0.00 174.74 172.02 2wdm s THR 48 N 1.77 4.46 -0.16 1.30 -4.23 -1.26 -3.67 115.64 113.85 2wdm s THR 48 Ca 0.67 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2wdm s THR 48 Cb -0.37 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 2wdm s THR 48 CO 0.30 0.43 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.12 2wdm s ILE 49 N 0.77 3.70 -1.09 2.99 1.09 -0.60 -3.40 121.20 124.67 2wdm s ILE 49 Ca 0.02 -0.42 -0.15 0.00 -1.10 0.00 0.00 60.65 59.01 2wdm s ILE 49 Cb -0.14 -2.62 0.17 0.00 -1.06 0.00 0.00 42.46 38.81 2wdm s ILE 49 CO 0.02 0.49 1.26 0.00 -0.10 0.00 0.00 174.94 176.61 2wdm s ALA 50 N 0.49 3.88 0.31 9.38 0.00 -1.01 -1.02 121.76 133.80 2wdm s ALA 50 Ca -0.04 -3.22 -0.29 0.00 0.00 0.00 0.00 51.96 48.41 2wdm s ALA 50 Cb -0.15 -4.01 -0.10 0.00 0.00 0.00 0.00 23.12 18.87 2wdm s ALA 50 CO 0.03 -2.75 1.15 0.08 0.00 0.00 0.00 175.76 174.27 2wdm s VAL 51 N 1.56 3.29 0.89 0.00 1.01 -1.08 -2.71 120.40 123.35 2wdm s VAL 51 Ca 0.37 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.51 2wdm s VAL 51 Cb -0.05 -3.79 0.19 0.00 0.00 0.00 0.00 36.38 32.74 2wdm s VAL 51 CO -0.04 0.27 1.21 -0.47 0.00 0.00 0.00 175.10 176.07 2wdm s TYR 52 N -1.21 1.31 0.00 5.22 5.04 -0.92 0.22 117.35 127.01 2wdm s TYR 52 Ca 0.47 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 2wdm s TYR 52 Cb -0.33 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.27 2wdm s TYR 52 CO 0.43 -2.41 0.00 0.27 -1.34 0.00 0.00 175.55 172.49 2wdm n ASN 53 N -3.45 0.00 0.00 4.32 0.23 -1.22 -4.78 115.26 110.36 2wdm n ASN 53 Ca 0.17 -0.85 0.00 0.00 -0.53 0.00 0.00 54.58 53.36 2wdm n ASN 53 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 2wdm n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wdm n GLY 54 N 0.00 2.04 0.72 4.83 0.00 -1.26 -4.85 105.19 106.66 2wdm n GLY 54 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 2wdm n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdm n LYS 55 N 0.00 0.18 -4.26 1.61 4.81 -1.26 -5.11 118.16 114.13 2wdm n LYS 55 Ca 0.00 0.07 -0.15 0.00 -0.87 0.00 0.00 58.31 57.36 2wdm n LYS 55 Cb 0.00 -0.82 -0.09 0.00 0.02 0.00 0.00 35.03 34.13 2wdm n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wdm s GLN 56 N -2.31 1.42 -0.15 1.64 -2.07 -1.26 -5.14 119.66 111.80 2wdm s GLN 56 Ca -0.10 -1.79 -0.22 0.00 -1.82 0.00 0.00 55.36 51.44 2wdm s GLN 56 Cb 0.01 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 2wdm s GLN 56 CO 0.15 -0.45 0.66 -1.01 -1.32 0.00 0.00 175.29 173.32 2wdm s HIS 57 N -3.85 3.46 -0.71 9.60 3.76 -1.26 -3.37 115.29 122.91 2wdm s HIS 57 Ca 0.38 1.06 -0.20 0.00 -0.15 0.00 0.00 55.06 56.16 2wdm s HIS 57 Cb 0.06 -2.80 0.11 0.00 1.11 0.00 0.00 32.58 31.05 2wdm s HIS 57 CO 0.17 -0.07 0.90 0.14 -0.85 0.00 0.00 174.74 175.02 2wdm s VAL 58 N 1.47 4.68 -0.31 -0.90 -7.23 0.61 -4.80 120.40 113.92 2wdm s VAL 58 Ca 0.32 -1.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 2wdm s VAL 58 Cb -0.16 -4.62 -0.06 0.00 0.56 0.00 0.00 36.38 32.09 2wdm s VAL 58 CO 0.13 -1.32 2.28 -0.81 -0.31 0.00 0.00 175.10 175.07 2wdm n PRO 59 N 6.69 1.63 -4.37 4.82 -0.04 -1.26 -2.65 135.00 139.83 2wdm n PRO 59 Ca 0.02 0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 2wdm n PRO 59 Cb 0.45 -3.24 -0.14 0.00 -0.04 0.00 0.00 33.50 30.54 2wdm n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdm s VAL 60 N 9.38 3.13 0.28 0.52 0.11 -0.19 -4.96 120.40 128.68 2wdm s VAL 60 Ca 1.01 -0.60 -0.21 0.00 -2.93 0.00 0.00 61.98 59.25 2wdm s VAL 60 Cb -0.33 -2.36 -0.09 0.00 -1.53 0.00 0.00 36.38 32.06 2wdm s VAL 60 CO 0.34 0.49 0.80 -0.47 -3.33 0.00 0.00 175.10 172.92 2wdm s TYR 61 N 0.86 3.58 0.38 1.54 5.04 -1.26 -1.56 117.35 125.93 2wdm s TYR 61 Ca -0.03 1.48 0.08 0.00 -2.44 0.00 0.00 57.07 56.15 2wdm s TYR 61 Cb -0.15 -2.70 -0.03 0.00 0.35 0.00 0.00 41.96 39.43 2wdm s TYR 61 CO 0.00 0.23 0.29 -1.50 -1.34 0.00 0.00 175.55 173.23 2wdm s ILE 62 N -1.68 2.91 0.03 3.14 1.10 -1.24 -4.98 121.20 120.48 2wdm s ILE 62 Ca 0.48 -1.46 -0.28 0.00 -0.51 0.00 0.00 60.65 58.89 2wdm s ILE 62 Cb -0.15 -3.04 0.10 0.00 0.15 0.00 0.00 42.46 39.51 2wdm s ILE 62 CO 0.20 -0.08 0.84 0.28 -2.11 0.00 0.00 174.94 174.07 2wdm s THR 63 N -2.44 0.00 -1.29 4.00 -1.32 -1.26 -4.11 115.64 109.22 2wdm s THR 63 Ca 0.43 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 2wdm s THR 63 Cb -0.03 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2wdm s THR 63 CO 0.26 0.00 0.73 -1.84 -2.21 0.00 0.00 174.62 171.56 2wdm n GLU 64 N -0.27 0.00 0.10 7.08 0.28 -1.26 -2.39 120.64 124.18 2wdm n GLU 64 Ca -0.10 0.25 -0.06 0.00 -0.16 0.00 0.00 57.16 57.09 2wdm n GLU 64 Cb 0.62 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.93 2wdm n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2wdm h ASN 65 N 0.00 -0.29 -3.16 -1.84 4.21 -2.03 -3.44 115.58 109.03 2wdm h ASN 65 Ca 0.00 -0.05 -0.53 0.00 1.21 0.00 0.00 56.30 56.93 2wdm h ASN 65 Cb 0.06 0.07 0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2wdm h ASN 65 CO 0.00 0.19 0.66 0.00 -1.29 0.00 0.00 177.43 176.99 2wdm s MET 66 N -2.80 4.37 0.00 0.81 0.23 -1.00 -4.86 119.30 116.05 2wdm s MET 66 Ca -0.06 1.98 0.00 0.00 -1.03 0.00 0.00 55.69 56.58 2wdm s MET 66 Cb 0.00 -3.26 0.00 0.00 -1.53 0.00 0.00 34.83 30.05 2wdm s MET 66 CO 0.21 -0.33 0.00 1.33 -2.03 0.00 0.00 175.02 174.20 2wdm n VAL 67 N 3.56 0.00 0.03 5.16 0.24 -1.26 -4.74 118.33 121.32 2wdm n VAL 67 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2wdm n VAL 67 Cb 0.43 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.83 2wdm n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdm n GLY 68 N -0.21 -0.51 3.58 7.63 0.00 -1.26 -2.75 105.19 111.68 2wdm n GLY 68 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wdm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wdm s HIS 69 N -2.96 2.67 0.43 1.61 4.02 -1.26 -4.83 115.29 114.97 2wdm s HIS 69 Ca 0.00 0.49 -0.25 0.00 1.02 0.00 0.00 55.06 56.33 2wdm s HIS 69 Cb 0.01 -4.48 -0.09 0.00 -1.02 0.00 0.00 32.58 26.99 2wdm s HIS 69 CO 0.02 -1.49 1.28 1.63 1.02 0.00 0.00 174.74 177.20 2wdm n LYS 70 N 8.23 1.93 -0.44 1.40 4.76 -1.26 -4.07 118.16 128.71 2wdm n LYS 70 Ca 0.09 0.69 0.36 0.00 -2.87 0.00 0.00 58.31 56.58 2wdm n LYS 70 Cb 0.49 -2.40 0.65 0.00 -1.84 0.00 0.00 35.03 31.92 2wdm n LYS 70 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2wdm h LEU 71 N 2.06 0.25 -1.48 -0.35 3.38 -1.37 0.24 115.31 118.04 2wdm h LEU 71 Ca -0.48 0.13 0.20 0.00 0.09 0.00 0.00 57.88 57.82 2wdm h LEU 71 Cb 1.29 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 2wdm h LEU 71 CO 0.60 -0.15 0.60 1.23 0.09 0.00 0.00 178.44 180.80 2wdm h GLY 72 N 0.10 0.93 -3.29 0.83 0.00 -1.22 -1.98 103.07 98.44 2wdm h GLY 72 Ca 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2wdm h GLY 72 CO -0.39 -0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.32 2wdm n GLU 73 N -4.53 0.66 -0.26 4.80 1.02 0.84 -1.61 120.64 121.56 2wdm n GLU 73 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2wdm n GLU 73 Cb 0.69 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 2wdm n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wdm n PHE 74 N 1.63 0.00 -3.73 -0.32 3.72 -0.74 -4.98 117.46 113.03 2wdm n PHE 74 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2wdm n PHE 74 Cb 0.33 0.18 -0.15 0.00 -0.94 0.00 0.00 39.48 38.90 2wdm n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdm s ALA 75 N 0.00 1.37 -0.09 4.37 0.00 -0.63 -4.89 121.76 121.88 2wdm s ALA 75 Ca 0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 2wdm s ALA 75 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.56 2wdm s ALA 75 CO 0.00 -1.53 1.89 -1.25 0.00 0.00 0.00 175.76 174.86 2wdm s PRO 76 N 1.70 3.84 0.11 0.00 0.04 -1.26 -4.82 135.00 134.60 2wdm s PRO 76 Ca 0.07 2.19 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 2wdm s PRO 76 Cb -0.17 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2wdm s PRO 76 CO -0.21 -1.27 1.47 1.79 0.04 0.00 0.00 177.00 178.82 2wdm h THR 77 N 6.08 1.29 -3.06 1.26 1.35 -1.91 -3.45 112.91 114.47 2wdm h THR 77 Ca -0.42 -1.32 -0.62 0.00 -0.55 0.00 0.00 66.41 63.50 2wdm h THR 77 Cb 1.21 1.41 -0.11 0.00 -1.73 0.00 0.00 68.15 68.93 2wdm h THR 77 CO 0.96 0.43 -0.65 -0.13 -0.25 0.00 0.00 175.52 175.88 2wdm s ARG 78 N -4.57 2.53 -0.17 4.72 0.52 -1.26 -4.98 118.95 115.75 2wdm s ARG 78 Ca -0.12 -0.96 -0.12 0.00 -0.52 0.00 0.00 55.73 54.01 2wdm s ARG 78 Cb 0.09 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 2wdm s ARG 78 CO 0.82 0.50 0.23 0.99 0.02 0.00 0.00 175.30 177.86 2wdm s THR 79 N -1.55 5.34 0.00 0.02 2.01 -1.26 -4.65 115.64 115.56 2wdm s THR 79 Ca 0.27 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2wdm s THR 79 Cb -0.10 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2wdm s THR 79 CO 0.19 0.42 0.00 0.00 -0.69 0.00 0.00 174.62 174.55 2wdm n TYR 80 N 3.42 0.00 -3.89 4.92 9.36 -1.26 -5.16 117.16 124.55 2wdm n TYR 80 Ca -0.14 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.82 2wdm n TYR 80 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2wdm n TYR 80 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wdm s ARG 81 N -1.63 2.24 0.00 2.98 1.81 -1.26 -5.24 118.95 117.85 2wdm s ARG 81 Ca 0.00 -2.04 0.00 0.00 -1.72 0.00 0.00 55.73 51.97 2wdm s ARG 81 Cb 0.00 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 2wdm s ARG 81 CO 0.00 -0.65 0.00 0.41 -0.68 0.00 0.00 175.30 174.38