#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm s VAL 2 N 0.00 4.98 0.20 3.17 0.11 -1.26 -1.56 120.40 126.03 2wdm s VAL 2 Ca 0.00 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2wdm s VAL 2 Cb 0.00 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2wdm s VAL 2 CO 0.00 -0.73 0.20 0.29 -3.33 0.00 0.00 175.10 171.53 2wdm n LYS 3 N -2.05 0.30 -3.63 1.54 5.02 0.17 -3.56 118.16 115.94 2wdm n LYS 3 Ca -0.01 -1.89 -0.24 0.00 -2.02 0.00 0.00 58.31 54.14 2wdm n LYS 3 Cb 0.55 1.63 -0.17 0.00 -0.02 0.00 0.00 35.03 37.02 2wdm n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wdm s ILE 4 N -2.76 -0.08 0.30 -0.18 1.01 -1.13 -2.51 121.20 115.85 2wdm s ILE 4 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2wdm s ILE 4 Cb 0.01 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.03 2wdm s ILE 4 CO 0.16 -0.14 0.54 0.00 0.00 0.00 0.00 174.94 175.49 2wdm s ARG 5 N 2.14 1.76 -0.17 2.79 1.70 0.41 -1.54 118.95 126.04 2wdm s ARG 5 Ca 0.03 -1.40 -0.19 0.00 -0.47 0.00 0.00 55.73 53.70 2wdm s ARG 5 Cb -0.15 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 2wdm s ARG 5 CO -0.07 -0.75 0.52 -0.51 -1.08 0.00 0.00 175.30 173.41 2wdm s LEU 6 N -3.08 4.20 -0.38 -1.89 1.02 -1.26 -1.13 118.68 116.16 2wdm s LEU 6 Ca 0.23 0.76 -0.03 0.00 0.02 0.00 0.00 54.13 55.11 2wdm s LEU 6 Cb -0.02 -2.74 0.09 0.00 0.02 0.00 0.00 46.19 43.55 2wdm s LEU 6 CO 0.12 -0.12 0.15 0.00 0.02 0.00 0.00 176.35 176.52 2wdm s ALA 7 N 1.28 3.08 1.01 4.21 0.00 -1.00 -4.89 121.76 125.44 2wdm s ALA 7 Ca 0.26 -2.32 -0.15 0.00 0.00 0.00 0.00 51.96 49.75 2wdm s ALA 7 Cb -0.15 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.71 2wdm s ALA 7 CO 0.10 -1.66 0.25 -2.13 0.00 0.00 0.00 175.76 172.32 2wdm n ARG 8 N 4.62 -0.73 0.00 0.00 0.63 -1.26 -2.16 116.66 117.76 2wdm n ARG 8 Ca -0.05 -0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 2wdm n ARG 8 Cb 0.42 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.54 2wdm n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wdm n PHE 9 N -3.86 0.00 -4.32 -0.14 3.72 0.49 -4.81 117.46 108.54 2wdm n PHE 9 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2wdm n PHE 9 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2wdm n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdm n GLY 10 N 0.00 -0.10 0.00 1.37 0.00 -1.26 -3.35 105.19 101.84 2wdm n GLY 10 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2wdm n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdm n SER 11 N -0.40 1.74 -4.74 1.61 7.64 -1.08 -5.00 113.62 113.39 2wdm n SER 11 Ca 0.00 -0.68 -0.40 0.00 1.01 0.00 0.00 58.87 58.80 2wdm n SER 11 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2wdm n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wdm s LYS 12 N -0.95 4.79 0.00 1.43 2.20 -1.26 -2.74 119.74 123.21 2wdm s LYS 12 Ca 0.00 1.51 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 2wdm s LYS 12 Cb 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2wdm s LYS 12 CO 0.00 0.40 0.00 0.72 -0.36 0.00 0.00 175.35 176.11 2wdm n HIS 13 N 1.85 0.00 -3.22 4.03 8.25 -1.26 -4.82 115.22 120.05 2wdm n HIS 13 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 2wdm n HIS 13 Cb 0.47 -1.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.13 2wdm n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wdm n ASN 14 N -0.33 2.85 -4.74 0.41 5.15 -1.11 -5.10 115.26 112.39 2wdm n ASN 14 Ca 0.00 -3.30 -0.42 0.00 -0.60 0.00 0.00 54.58 50.26 2wdm n ASN 14 Cb 0.17 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 38.78 2wdm n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wdm n PRO 15 N 0.62 2.47 -3.26 1.20 -0.02 -1.26 -2.63 135.00 132.12 2wdm n PRO 15 Ca 0.28 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.57 2wdm n PRO 15 Cb 0.46 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 2wdm n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wdm s HIS 16 N -1.03 -1.24 0.45 6.00 3.76 -1.21 -4.48 115.29 117.53 2wdm s HIS 16 Ca 0.55 0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 55.38 2wdm s HIS 16 Cb -0.51 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.17 2wdm s HIS 16 CO 0.62 -1.09 0.82 0.71 -0.85 0.00 0.00 174.74 174.96 2wdm s TYR 17 N 1.91 3.50 -0.14 1.40 1.51 -1.04 -0.38 117.35 124.10 2wdm s TYR 17 Ca 0.15 1.08 0.00 0.00 -1.01 0.00 0.00 57.07 57.29 2wdm s TYR 17 Cb -0.09 -2.49 0.03 0.00 -0.11 0.00 0.00 41.96 39.30 2wdm s TYR 17 CO -0.11 -0.22 -0.12 0.50 -1.11 0.00 0.00 175.55 174.50 2wdm s ARG 18 N -4.13 2.01 0.27 -0.62 3.52 -0.92 -1.16 118.95 117.93 2wdm s ARG 18 Ca 0.52 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 2wdm s ARG 18 Cb -0.10 -1.98 -0.11 0.00 -1.56 0.00 0.00 34.95 31.19 2wdm s ARG 18 CO 0.35 -0.27 1.57 0.42 -0.81 0.00 0.00 175.30 176.56 2wdm s ILE 19 N 1.55 2.21 0.04 4.11 -1.09 0.22 -2.39 121.20 125.85 2wdm s ILE 19 Ca 0.04 0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 2wdm s ILE 19 Cb -0.13 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2wdm s ILE 19 CO -0.10 0.03 0.18 0.54 -1.23 0.00 0.00 174.94 174.36 2wdm s VAL 20 N 0.11 0.12 -0.55 2.92 0.11 -0.28 -2.18 120.40 120.64 2wdm s VAL 20 Ca 0.63 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2wdm s VAL 20 Cb -0.47 -0.95 0.14 0.00 -1.53 0.00 0.00 36.38 33.57 2wdm s VAL 20 CO 0.45 -0.53 0.30 0.54 -3.33 0.00 0.00 175.10 172.54 2wdm s VAL 21 N -2.70 2.67 0.17 2.04 0.11 -0.12 -0.45 120.40 122.12 2wdm s VAL 21 Ca -0.04 -3.48 0.00 0.00 -2.93 0.00 0.00 61.98 55.54 2wdm s VAL 21 Cb -0.00 -2.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 2wdm s VAL 21 CO -0.05 -0.84 0.02 1.07 -3.33 0.00 0.00 175.10 171.97 2wdm n THR 22 N 2.93 0.00 -3.39 5.04 5.66 -1.04 -1.78 114.28 121.69 2wdm n THR 22 Ca 0.07 -0.79 -0.38 0.00 -3.05 0.00 0.00 64.05 59.91 2wdm n THR 22 Cb 0.33 0.10 -0.07 0.00 -1.55 0.00 0.00 70.33 69.14 2wdm n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2wdm s ASP 23 N -1.94 6.50 0.28 1.09 -1.08 -1.26 0.42 116.67 120.67 2wdm s ASP 23 Ca 0.01 0.59 0.14 0.00 -0.52 0.00 0.00 52.55 52.77 2wdm s ASP 23 Cb -0.00 -2.24 0.97 0.00 -1.46 0.00 0.00 42.92 40.19 2wdm s ASP 23 CO 0.01 -0.04 1.23 0.00 0.52 0.00 0.00 175.17 176.88 2wdm n ALA 24 N 4.19 0.73 -0.24 3.66 0.00 -0.60 -0.73 120.51 127.52 2wdm n ALA 24 Ca -0.08 0.80 -0.06 0.00 0.00 0.00 0.00 53.44 54.09 2wdm n ALA 24 Cb 0.51 -0.76 0.07 0.00 0.00 0.00 0.00 19.45 19.27 2wdm n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdm h ARG 25 N 0.00 1.10 -6.85 0.00 3.08 -1.93 -3.45 114.38 106.33 2wdm h ARG 25 Ca 0.63 -0.25 -0.49 0.00 0.07 0.00 0.00 59.98 59.94 2wdm h ARG 25 Cb 1.62 -0.15 0.22 0.00 0.08 0.00 0.00 29.97 31.74 2wdm h ARG 25 CO -0.62 0.96 -0.58 0.54 -1.07 0.00 0.00 179.97 179.20 2wdm n ARG 26 N -4.24 -1.13 -1.68 0.04 1.74 0.09 -4.96 116.66 106.52 2wdm n ARG 26 Ca 0.05 -0.30 -0.31 0.00 -0.77 0.00 0.00 57.85 56.53 2wdm n ARG 26 Cb 0.25 -1.91 0.04 0.00 -1.02 0.00 0.00 32.46 29.83 2wdm n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wdm s LYS 27 N -3.80 3.01 0.08 5.56 0.00 -1.26 -4.91 119.74 118.41 2wdm s LYS 27 Ca 0.59 0.82 -0.18 0.00 0.00 0.00 0.00 55.97 57.20 2wdm s LYS 27 Cb -0.19 -2.01 -0.06 0.00 0.00 0.00 0.00 37.83 35.58 2wdm s LYS 27 CO 0.66 -1.01 1.31 -0.09 0.00 0.00 0.00 175.35 176.21 2wdm h ARG 28 N -0.65 -0.15 -1.82 1.78 2.43 -1.94 0.86 114.38 114.88 2wdm h ARG 28 Ca -0.44 0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.39 2wdm h ARG 28 Cb 1.22 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.67 2wdm h ARG 28 CO 0.59 -0.10 0.25 -0.25 -1.51 0.00 0.00 179.97 178.95 2wdm n ASP 29 N -4.25 6.20 -2.71 -3.80 10.43 -1.26 -4.70 116.55 116.47 2wdm n ASP 29 Ca -0.01 -2.98 0.00 0.00 2.57 0.00 0.00 54.79 54.37 2wdm n ASP 29 Cb 0.18 -1.19 0.00 0.00 1.84 0.00 0.00 41.12 41.95 2wdm n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wdm n GLY 30 N 0.97 0.15 3.34 0.44 0.00 0.29 -4.97 105.19 105.41 2wdm n GLY 30 Ca 0.37 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 2wdm n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdm s LYS 31 N 0.34 4.06 0.39 1.61 2.20 -1.26 -5.02 119.74 122.05 2wdm s LYS 31 Ca 0.00 -3.01 -0.26 0.00 -0.36 0.00 0.00 55.97 52.33 2wdm s LYS 31 Cb 0.00 -4.54 -0.11 0.00 -1.51 0.00 0.00 37.83 31.67 2wdm s LYS 31 CO 0.00 -1.27 1.27 2.48 -0.36 0.00 0.00 175.35 177.47 2wdm n TYR 32 N 3.12 2.18 0.25 4.03 -0.00 -1.26 -4.89 117.16 120.59 2wdm n TYR 32 Ca 0.22 0.52 0.08 0.00 -0.00 0.00 0.00 57.90 58.72 2wdm n TYR 32 Cb 0.41 -2.39 0.63 0.00 -0.00 0.00 0.00 39.34 37.99 2wdm n TYR 32 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 2wdm h ILE 33 N 2.28 0.97 -1.37 -3.48 1.08 -1.69 -3.45 117.51 111.83 2wdm h ILE 33 Ca -0.47 -0.26 0.24 0.00 -0.39 0.00 0.00 64.86 63.98 2wdm h ILE 33 Cb 1.29 1.14 -0.21 0.00 -3.07 0.00 0.00 36.82 35.97 2wdm h ILE 33 CO 0.61 0.07 0.83 -0.70 -0.69 0.00 0.00 178.15 178.27 2wdm s GLU 34 N -4.81 0.26 -0.08 2.37 2.12 -1.10 -5.02 118.70 112.45 2wdm s GLU 34 Ca -0.04 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 2wdm s GLU 34 Cb 0.16 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.64 2wdm s GLU 34 CO 0.66 -0.11 0.02 0.21 -0.54 0.00 0.00 175.26 175.50 2wdm s LYS 35 N -1.97 3.01 0.00 4.30 2.20 -1.26 -0.95 119.74 125.07 2wdm s LYS 35 Ca 0.08 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2wdm s LYS 35 Cb -0.01 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 2wdm s LYS 35 CO -0.05 0.70 0.54 0.44 -0.36 0.00 0.00 175.35 176.63 2wdm n ILE 36 N 2.02 0.25 -3.21 5.43 -5.35 -0.93 -4.95 119.36 112.63 2wdm n ILE 36 Ca -0.18 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 2wdm n ILE 36 Cb 0.54 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 2wdm n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdm n GLY 37 N -0.13 -1.59 2.69 3.28 0.00 -1.23 -0.91 105.19 107.32 2wdm n GLY 37 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 2wdm n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdm n TYR 38 N 7.25 -0.62 -3.26 1.61 0.18 -1.00 0.71 117.16 122.02 2wdm n TYR 38 Ca 0.00 -2.34 0.03 0.00 1.88 0.00 0.00 57.90 57.47 2wdm n TYR 38 Cb 0.00 0.23 -0.03 0.00 -0.38 0.00 0.00 39.34 39.16 2wdm n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2wdm s TYR 39 N -3.12 -0.67 -0.44 -3.48 5.04 -0.31 -4.15 117.35 110.24 2wdm s TYR 39 Ca 0.33 0.91 -0.18 0.00 -2.44 0.00 0.00 57.07 55.68 2wdm s TYR 39 Cb 0.02 0.31 0.03 0.00 0.35 0.00 0.00 41.96 42.66 2wdm s TYR 39 CO 0.23 -0.35 0.51 0.34 -1.34 0.00 0.00 175.55 174.94 2wdm s ASP 40 N 2.67 6.23 0.00 4.32 3.68 -0.83 -2.49 116.67 130.26 2wdm s ASP 40 Ca 0.00 -0.64 0.07 0.00 2.13 0.00 0.00 52.55 54.11 2wdm s ASP 40 Cb -0.08 -2.26 0.36 0.00 -1.45 0.00 0.00 42.92 39.49 2wdm s ASP 40 CO -0.15 -0.67 0.99 -0.81 0.13 0.00 0.00 175.17 174.66 2wdm n PRO 41 N 5.83 0.13 -0.00 4.34 -0.04 -1.26 -2.14 135.00 141.86 2wdm n PRO 41 Ca -0.06 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2wdm n PRO 41 Cb 0.47 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2wdm n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdm n ARG 42 N -1.19 6.78 -1.68 0.54 1.74 -1.26 -5.04 116.66 116.56 2wdm n ARG 42 Ca 0.04 -0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.93 2wdm n ARG 42 Cb 0.04 -0.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.89 2wdm n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdm n LYS 43 N -1.02 -1.32 0.22 5.56 4.01 -0.91 -4.85 118.16 119.84 2wdm n LYS 43 Ca 0.00 1.11 0.16 0.00 -0.51 0.00 0.00 58.31 59.07 2wdm n LYS 43 Cb 0.01 -5.44 0.68 0.00 -0.51 0.00 0.00 35.03 29.77 2wdm n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2wdm h THR 44 N 0.00 0.12 -2.98 -0.18 1.35 -1.96 -3.36 112.91 105.90 2wdm h THR 44 Ca -0.39 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.81 2wdm h THR 44 Cb 1.23 0.54 -0.11 0.00 -1.73 0.00 0.00 68.15 68.08 2wdm h THR 44 CO 0.55 0.00 -0.53 0.28 -0.25 0.00 0.00 175.52 175.57 2wdm s THR 45 N -4.28 5.08 0.37 6.82 -1.32 -1.26 -4.98 115.64 116.06 2wdm s THR 45 Ca -0.03 0.05 0.37 0.00 -1.21 0.00 0.00 61.69 60.87 2wdm s THR 45 Cb 0.10 -3.22 0.40 0.00 -1.51 0.00 0.00 72.50 68.27 2wdm s THR 45 CO 0.35 0.57 2.15 1.55 -2.21 0.00 0.00 174.62 177.03 2wdm h PRO 46 N 5.47 0.00 -2.70 7.08 0.13 -2.02 -3.23 132.00 136.74 2wdm h PRO 46 Ca -0.50 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.99 2wdm h PRO 46 Cb 1.20 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 2wdm h PRO 46 CO 0.61 0.02 -0.33 -0.25 -0.23 0.00 0.00 178.00 177.82 2wdm n ASP 47 N -3.17 3.98 -1.81 1.44 8.00 -1.26 -4.91 116.55 118.83 2wdm n ASP 47 Ca -0.01 -3.33 -0.05 0.00 0.71 0.00 0.00 54.79 52.11 2wdm n ASP 47 Cb 0.21 -0.83 0.26 0.00 -0.02 0.00 0.00 41.12 40.73 2wdm n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wdm n TRP 48 N 1.43 2.07 -2.69 1.24 4.27 -1.22 -4.62 117.44 117.92 2wdm n TRP 48 Ca 0.26 -1.02 -0.06 0.00 -3.89 0.00 0.00 57.50 52.78 2wdm n TRP 48 Cb 0.38 -0.60 0.09 0.00 -1.36 0.00 0.00 31.31 29.81 2wdm n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2wdm n LEU 49 N -0.05 -1.74 -4.77 5.67 7.94 -1.26 -1.96 117.00 120.83 2wdm n LEU 49 Ca 0.34 -3.05 -0.38 0.00 -1.11 0.00 0.00 56.01 51.81 2wdm n LEU 49 Cb 1.22 0.30 -0.01 0.00 0.53 0.00 0.00 43.42 45.46 2wdm n LEU 49 CO 0.37 1.73 0.86 -0.75 -1.11 0.00 0.00 177.39 178.48 2wdm s LYS 50 N 0.16 3.83 -0.45 1.96 2.36 -1.26 -4.89 119.74 121.46 2wdm s LYS 50 Ca 0.18 1.86 0.06 0.00 -2.55 0.00 0.00 55.97 55.52 2wdm s LYS 50 Cb 0.31 -2.52 0.21 0.00 -1.05 0.00 0.00 37.83 34.78 2wdm s LYS 50 CO -0.07 -0.51 0.60 0.28 1.55 0.00 0.00 175.35 177.20 2wdm n VAL 51 N -0.28 -0.52 -0.71 4.02 0.31 -1.26 -2.36 118.33 117.53 2wdm n VAL 51 Ca 0.06 -2.56 -0.14 0.00 -0.01 0.00 0.00 64.34 61.70 2wdm n VAL 51 Cb 0.47 -0.38 -0.09 0.00 -0.91 0.00 0.00 33.84 32.92 2wdm n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdm n ASP 52 N 2.22 -0.39 -0.01 4.52 4.64 -0.08 -4.71 116.55 122.74 2wdm n ASP 52 Ca 0.20 -0.13 -0.11 0.00 -1.38 0.00 0.00 54.79 53.36 2wdm n ASP 52 Cb 0.55 -0.32 -0.06 0.00 -1.04 0.00 0.00 41.12 40.25 2wdm n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2wdm h VAL 53 N 3.48 1.11 -0.24 5.18 -1.51 -1.94 -2.90 116.25 119.44 2wdm h VAL 53 Ca 0.00 -0.31 0.06 0.00 -1.23 0.00 0.00 66.70 65.22 2wdm h VAL 53 Cb 0.57 1.14 -0.08 0.00 -2.13 0.00 0.00 31.29 30.79 2wdm h VAL 53 CO 0.73 0.09 -0.37 -0.33 -1.23 0.00 0.00 177.57 176.46 2wdm h GLU 54 N 0.03 -0.37 0.10 5.19 4.39 -1.97 -2.34 114.58 119.62 2wdm h GLU 54 Ca 0.03 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2wdm h GLU 54 Cb 0.11 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2wdm h GLU 54 CO -0.00 -0.25 -0.32 0.00 -1.16 0.00 0.00 179.01 177.28 2wdm h ARG 55 N -0.39 -0.51 -1.03 2.33 2.47 -1.94 -2.63 114.38 112.68 2wdm h ARG 55 Ca 0.11 0.04 0.26 0.00 -1.26 0.00 0.00 59.98 59.13 2wdm h ARG 55 Cb 0.58 0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 28.90 2wdm h ARG 55 CO -0.45 -0.34 0.63 0.00 0.56 0.00 0.00 179.97 180.37 2wdm h ALA 56 N 0.13 2.01 -0.50 0.04 0.00 -1.26 0.15 119.26 119.83 2wdm h ALA 56 Ca 0.03 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wdm h ALA 56 Cb 0.57 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2wdm h ALA 56 CO -0.20 -0.47 0.23 0.00 0.00 0.00 0.00 179.25 178.81 2wdm h ARG 57 N 0.48 0.69 0.49 0.00 3.08 -1.04 -3.03 114.38 115.05 2wdm h ARG 57 Ca 0.63 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.58 2wdm h ARG 57 Cb 1.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2wdm h ARG 57 CO -0.40 0.55 -0.28 -0.92 -1.07 0.00 0.00 179.97 177.85 2wdm h TYR 58 N 0.70 -0.73 0.00 3.04 5.03 -0.68 -2.59 116.97 121.73 2wdm h TYR 58 Ca 0.17 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.47 2wdm h TYR 58 Cb 0.09 0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2wdm h TYR 58 CO 0.01 -0.42 0.32 0.91 -1.32 0.00 0.00 178.16 177.65 2wdm n TRP 59 N -4.07 0.17 -0.04 -3.82 7.02 -1.15 0.92 117.44 116.46 2wdm n TRP 59 Ca -0.09 0.09 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 2wdm n TRP 59 Cb 0.29 -0.38 -0.15 0.00 -2.42 0.00 0.00 31.31 28.65 2wdm n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2wdm n LEU 60 N -1.59 0.20 0.01 -0.99 4.77 -1.08 -2.60 117.00 115.72 2wdm n LEU 60 Ca -0.00 0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 2wdm n LEU 60 Cb 0.33 0.26 0.22 0.00 -2.33 0.00 0.00 43.42 41.89 2wdm n LEU 60 CO 0.02 0.28 0.77 0.77 -1.33 0.00 0.00 177.39 177.90 2wdm h SER 61 N 0.00 0.49 1.03 -1.43 4.64 0.92 -2.46 113.55 116.75 2wdm h SER 61 Ca -0.30 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2wdm h SER 61 Cb 1.74 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2wdm h SER 61 CO 0.03 0.71 -0.85 -0.37 -0.87 0.00 0.00 176.83 175.47 2wdm h VAL 62 N 0.44 0.00 0.00 0.95 -1.51 -1.64 -3.50 116.25 110.99 2wdm h VAL 62 Ca 0.07 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2wdm h VAL 62 Cb 0.61 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2wdm h VAL 62 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 2wdm n GLY 63 N 1.21 0.92 3.04 5.19 0.00 -0.92 -5.11 105.19 109.51 2wdm n GLY 63 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2wdm n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm s ALA 64 N 0.00 -2.90 0.15 4.61 0.00 -1.07 -4.72 121.76 117.82 2wdm s ALA 64 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 51.96 52.03 2wdm s ALA 64 Cb 0.00 -2.81 -0.14 0.00 0.00 0.00 0.00 23.12 20.17 2wdm s ALA 64 CO 0.00 -2.30 1.60 1.04 0.00 0.00 0.00 175.76 176.11 2wdm n GLN 65 N 4.02 2.18 -3.88 0.00 1.13 -1.23 -4.39 117.38 115.21 2wdm n GLN 65 Ca 0.11 0.79 -0.27 0.00 -1.94 0.00 0.00 57.00 55.68 2wdm n GLN 65 Cb 0.59 -2.56 -0.03 0.00 0.11 0.00 0.00 30.24 28.34 2wdm n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2wdm s PRO 66 N 1.12 3.46 0.90 -1.09 0.04 -1.26 -2.81 135.00 135.35 2wdm s PRO 66 Ca 0.79 -0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.22 2wdm s PRO 66 Cb -0.67 -2.94 0.11 0.00 0.04 0.00 0.00 34.50 31.03 2wdm s PRO 66 CO 0.38 0.50 0.98 2.41 0.04 0.00 0.00 177.00 181.31 2wdm n THR 67 N -0.45 0.44 -0.13 1.26 -1.04 -0.59 -4.64 114.28 109.13 2wdm n THR 67 Ca -0.06 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 61.88 2wdm n THR 67 Cb 0.53 -0.94 0.32 0.00 -1.82 0.00 0.00 70.33 68.42 2wdm n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wdm h ASP 68 N -1.60 0.71 0.49 8.00 3.32 -1.98 0.12 116.42 125.48 2wdm h ASP 68 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2wdm h ASP 68 Cb 1.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2wdm h ASP 68 CO 0.40 0.51 -0.29 1.07 -1.72 0.00 0.00 179.24 179.22 2wdm n THR 69 N -4.44 0.00 0.01 0.35 5.66 -1.26 -3.58 114.28 111.01 2wdm n THR 69 Ca 0.06 -0.04 -0.17 0.00 -3.05 0.00 0.00 64.05 60.85 2wdm n THR 69 Cb 0.05 0.09 -0.14 0.00 -1.55 0.00 0.00 70.33 68.78 2wdm n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wdm h ALA 70 N 3.27 0.50 0.00 1.79 0.00 -1.19 -3.34 119.26 120.31 2wdm h ALA 70 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.54 2wdm h ALA 70 Cb 0.47 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wdm h ALA 70 CO 0.00 1.36 0.00 0.07 0.00 0.00 0.00 179.25 180.68 2wdm h ARG 71 N 0.05 0.00 0.95 0.00 0.11 -1.05 -2.92 114.38 111.52 2wdm h ARG 71 Ca -0.36 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.68 2wdm h ARG 71 Cb 2.03 0.00 0.01 0.00 1.11 0.00 0.00 29.97 33.12 2wdm h ARG 71 CO 0.10 0.00 -0.46 -0.09 0.10 0.00 0.00 179.97 179.62 2wdm h ARG 72 N 0.00 -1.23 0.00 0.08 2.43 -1.67 0.42 114.38 114.40 2wdm h ARG 72 Ca 0.00 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2wdm h ARG 72 Cb 0.72 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2wdm h ARG 72 CO 0.00 -0.82 0.00 1.28 -1.51 0.00 0.00 179.97 178.92 2wdm n LEU 73 N -5.64 0.00 -0.08 3.80 4.77 -1.19 -1.17 117.00 117.50 2wdm n LEU 73 Ca -0.16 0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 2wdm n LEU 73 Cb 0.51 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 2wdm n LEU 73 CO 0.40 -0.15 -1.11 0.18 -1.33 0.00 0.00 177.39 175.39 2wdm n LEU 74 N -1.28 2.32 -0.05 2.23 4.77 -0.96 -3.24 117.00 120.79 2wdm n LEU 74 Ca 0.07 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2wdm n LEU 74 Cb 0.11 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 2wdm n LEU 74 CO 0.11 0.81 0.51 -0.09 -1.33 0.00 0.00 177.39 177.41 2wdm h ARG 75 N 0.02 0.42 0.00 3.23 2.43 -0.67 -1.98 114.38 117.84 2wdm h ARG 75 Ca -0.51 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 2wdm h ARG 75 Cb 1.99 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 2wdm h ARG 75 CO -0.01 0.87 0.00 0.94 -1.51 0.00 0.00 179.97 180.26 2wdm n GLN 76 N -4.43 0.46 0.00 0.20 7.27 -0.31 0.10 117.38 120.67 2wdm n GLN 76 Ca -0.07 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.05 2wdm n GLN 76 Cb 0.45 -1.40 -0.02 0.00 2.41 0.00 0.00 30.24 31.69 2wdm n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdm n ALA 77 N -0.90 2.97 -2.14 1.69 0.00 -0.81 -4.99 120.51 116.33 2wdm n ALA 77 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 2wdm n ALA 77 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2wdm n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdm n GLY 78 N 1.02 -2.16 0.00 0.00 0.00 0.29 -4.98 105.19 99.36 2wdm n GLY 78 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2wdm n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdm n VAL 79 N -0.06 0.00 1.13 1.61 0.31 -1.17 -4.80 118.33 115.34 2wdm n VAL 79 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.49 2wdm n VAL 79 Cb 0.13 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.35 2wdm n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wdm n PHE 80 N -0.31 0.00 -2.94 3.52 3.01 -1.26 -4.88 117.46 114.59 2wdm n PHE 80 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 2wdm n PHE 80 Cb 0.00 -0.16 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 2wdm n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2wdm s ARG 81 N -2.71 4.35 0.00 -1.08 3.52 -1.26 -4.98 118.95 116.79 2wdm s ARG 81 Ca 0.18 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 2wdm s ARG 81 Cb 0.18 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2wdm s ARG 81 CO 0.60 0.27 0.05 0.00 -0.81 0.00 0.00 175.30 175.41 2wdm n GLN 82 N 0.36 3.23 0.00 5.12 0.00 -1.26 -5.03 117.38 119.79 2wdm n GLN 82 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 57.00 56.96 2wdm n GLN 82 Cb 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 30.24 30.38 2wdm n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wdm n GLU 83 N -0.48 0.00 0.00 2.61 -0.58 -1.26 -5.27 120.64 115.67 2wdm n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdm n GLU 83 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 2wdm n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65