#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 s VAL 2 N 0.00 2.58 0.22 3.17 0.11 -1.26 -3.39 120.40 121.83 2wh3 s VAL 2 Ca 0.00 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2wh3 s VAL 2 Cb 0.00 -3.06 0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2wh3 s VAL 2 CO 0.00 -0.00 0.16 0.29 -3.33 0.00 0.00 175.10 172.22 2wh3 n LYS 3 N 5.66 1.18 -3.72 1.54 5.02 0.94 -4.43 118.16 124.34 2wh3 n LYS 3 Ca 0.17 -1.38 -0.20 0.00 -2.02 0.00 0.00 58.31 54.89 2wh3 n LYS 3 Cb 0.38 0.16 -0.18 0.00 -0.02 0.00 0.00 35.03 35.37 2wh3 n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wh3 s ILE 4 N -1.10 0.04 0.00 -0.18 1.01 -1.26 -2.49 121.20 117.22 2wh3 s ILE 4 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2wh3 s ILE 4 Cb -0.01 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2wh3 s ILE 4 CO 0.08 0.20 0.00 -2.11 0.00 0.00 0.00 174.94 173.10 2wh3 n ARG 5 N 5.15 0.00 -4.31 2.79 1.85 0.01 -1.92 116.66 120.22 2wh3 n ARG 5 Ca -0.06 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.46 2wh3 n ARG 5 Cb 0.50 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.82 2wh3 n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wh3 s LEU 6 N 0.00 3.49 -0.20 2.89 1.02 -1.26 -0.41 118.68 124.22 2wh3 s LEU 6 Ca 0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 54.13 54.11 2wh3 s LEU 6 Cb 0.00 -1.98 0.07 0.00 0.02 0.00 0.00 46.19 44.30 2wh3 s LEU 6 CO 0.00 0.29 0.08 0.00 0.02 0.00 0.00 176.35 176.74 2wh3 s ALA 7 N -1.05 0.69 0.70 4.21 0.00 -1.20 -4.88 121.76 120.22 2wh3 s ALA 7 Ca 0.19 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 2wh3 s ALA 7 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2wh3 s ALA 7 CO 0.09 -1.26 0.69 -2.13 0.00 0.00 0.00 175.76 173.16 2wh3 n ARG 8 N 5.18 0.41 0.00 0.00 0.63 -1.26 -2.98 116.66 118.64 2wh3 n ARG 8 Ca -0.07 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2wh3 n ARG 8 Cb 0.47 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.42 2wh3 n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wh3 n PHE 9 N -2.34 0.00 -0.22 -0.14 3.72 -0.13 -4.92 117.46 113.43 2wh3 n PHE 9 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2wh3 n PHE 9 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2wh3 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wh3 n GLY 10 N 0.00 3.13 0.00 1.37 0.00 -1.26 -4.10 105.19 104.33 2wh3 n GLY 10 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2wh3 n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wh3 n SER 11 N 3.12 0.19 -4.68 1.61 7.64 -1.19 -5.00 113.62 115.31 2wh3 n SER 11 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2wh3 n SER 11 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2wh3 n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wh3 s LYS 12 N 1.39 4.35 -1.40 1.43 2.20 -1.26 -3.34 119.74 123.10 2wh3 s LYS 12 Ca 0.00 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 2wh3 s LYS 12 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2wh3 s LYS 12 CO 0.00 -0.24 0.00 0.72 -0.36 0.00 0.00 175.35 175.47 2wh3 n HIS 13 N 4.88 -0.25 -2.71 4.03 8.25 -1.26 -4.87 115.22 123.30 2wh3 n HIS 13 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 2wh3 n HIS 13 Cb 0.49 -2.71 0.05 0.00 1.12 0.00 0.00 29.99 28.94 2wh3 n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wh3 n ASN 14 N -0.45 0.91 -4.55 0.41 5.15 -1.21 -5.12 115.26 110.39 2wh3 n ASN 14 Ca -0.15 -2.50 -0.50 0.00 -0.60 0.00 0.00 54.58 50.83 2wh3 n ASN 14 Cb 0.53 -0.26 -0.04 0.00 -0.53 0.00 0.00 39.78 39.47 2wh3 n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wh3 n PRO 15 N -0.32 0.91 -3.39 1.20 -0.02 -1.26 -3.17 135.00 128.95 2wh3 n PRO 15 Ca 0.06 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.67 2wh3 n PRO 15 Cb 0.82 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.44 2wh3 n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wh3 s HIS 16 N -0.27 -0.21 0.89 6.00 3.76 -1.26 -4.49 115.29 119.71 2wh3 s HIS 16 Ca 0.74 -0.73 -0.15 0.00 -0.15 0.00 0.00 55.06 54.77 2wh3 s HIS 16 Cb -0.91 -0.50 0.21 0.00 1.11 0.00 0.00 32.58 32.49 2wh3 s HIS 16 CO 0.53 -0.93 1.09 0.66 -0.85 0.00 0.00 174.74 175.24 2wh3 n TYR 17 N 4.57 -3.95 -3.22 1.40 4.02 -1.26 -0.96 117.16 117.76 2wh3 n TYR 17 Ca 0.07 -0.97 -0.02 0.00 -0.01 0.00 0.00 57.90 56.97 2wh3 n TYR 17 Cb 0.44 -0.90 -0.03 0.00 -0.02 0.00 0.00 39.34 38.83 2wh3 n TYR 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2wh3 s ARG 18 N -5.40 0.49 0.36 -0.72 3.52 -1.16 -3.57 118.95 112.46 2wh3 s ARG 18 Ca 0.64 0.46 -0.28 0.00 -0.13 0.00 0.00 55.73 56.42 2wh3 s ARG 18 Cb -0.03 0.04 -0.11 0.00 -1.56 0.00 0.00 34.95 33.29 2wh3 s ARG 18 CO 0.46 -0.96 1.49 0.42 -0.81 0.00 0.00 175.30 175.90 2wh3 s ILE 19 N 2.71 2.12 0.11 4.11 -1.09 -0.67 -3.26 121.20 125.23 2wh3 s ILE 19 Ca 0.12 0.12 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 2wh3 s ILE 19 Cb -0.12 -3.08 0.08 0.00 -1.58 0.00 0.00 42.46 37.76 2wh3 s ILE 19 CO -0.26 0.03 0.80 0.54 -1.23 0.00 0.00 174.94 174.82 2wh3 s VAL 20 N -0.90 0.00 -0.57 2.92 0.11 0.46 -3.20 120.40 119.22 2wh3 s VAL 20 Ca 0.54 -0.26 -0.13 0.00 -2.93 0.00 0.00 61.98 59.20 2wh3 s VAL 20 Cb -0.46 -1.32 0.14 0.00 -1.53 0.00 0.00 36.38 33.21 2wh3 s VAL 20 CO 0.59 0.00 0.50 0.54 -3.33 0.00 0.00 175.10 173.40 2wh3 s VAL 21 N -3.43 4.95 0.38 2.04 0.11 -1.11 -0.81 120.40 122.53 2wh3 s VAL 21 Ca 0.06 -1.77 0.08 0.00 -2.93 0.00 0.00 61.98 57.42 2wh3 s VAL 21 Cb -0.02 -4.18 -0.07 0.00 -1.53 0.00 0.00 36.38 30.58 2wh3 s VAL 21 CO -0.06 -0.87 -0.03 0.28 -3.33 0.00 0.00 175.10 171.09 2wh3 s THR 22 N 1.27 2.16 -0.50 5.04 -1.32 -1.04 -1.03 115.64 120.22 2wh3 s THR 22 Ca 0.06 -2.07 -0.21 0.00 -1.21 0.00 0.00 61.69 58.26 2wh3 s THR 22 Cb -0.26 -2.84 0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2wh3 s THR 22 CO 0.00 -0.10 0.74 -0.62 -2.21 0.00 0.00 174.62 172.43 2wh3 s ASP 23 N -3.68 6.30 0.00 8.08 -1.08 -1.26 -0.04 116.67 124.99 2wh3 s ASP 23 Ca 0.34 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 2wh3 s ASP 23 Cb 0.06 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2wh3 s ASP 23 CO 0.18 -0.96 0.00 0.00 0.52 0.00 0.00 175.17 174.90 2wh3 n ALA 24 N 6.63 0.00 0.02 3.66 0.00 -1.22 -0.22 120.51 129.38 2wh3 n ALA 24 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.63 2wh3 n ALA 24 Cb 0.47 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.63 2wh3 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 h ARG 25 N 0.00 0.00 -6.59 0.00 3.08 -1.93 -3.44 114.38 105.50 2wh3 h ARG 25 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 2wh3 h ARG 25 Cb 0.00 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.23 2wh3 h ARG 25 CO 0.00 0.00 -0.20 0.54 -1.07 0.00 0.00 179.97 179.24 2wh3 n ARG 26 N -4.19 -3.73 -2.98 0.04 1.74 0.70 -5.01 116.66 103.22 2wh3 n ARG 26 Ca 0.09 -1.10 -0.28 0.00 -0.77 0.00 0.00 57.85 55.79 2wh3 n ARG 26 Cb 0.62 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 2wh3 n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wh3 s LYS 27 N -4.40 3.62 0.14 5.56 -2.85 -1.26 -4.99 119.74 115.57 2wh3 s LYS 27 Ca 0.55 0.15 -0.29 0.00 -1.00 0.00 0.00 55.97 55.38 2wh3 s LYS 27 Cb -0.11 -2.49 -0.04 0.00 -2.06 0.00 0.00 37.83 33.13 2wh3 s LYS 27 CO 0.48 0.00 1.57 -0.09 0.10 0.00 0.00 175.35 177.41 2wh3 h ARG 28 N 0.97 -0.38 -0.74 1.78 2.43 -1.95 -1.73 114.38 114.75 2wh3 h ARG 28 Ca -0.48 0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 58.49 2wh3 h ARG 28 Cb 1.20 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.70 2wh3 h ARG 28 CO 0.63 -0.26 0.28 -0.25 -1.51 0.00 0.00 179.97 178.87 2wh3 n ASP 29 N -5.42 4.72 -1.92 -3.80 10.43 -1.26 -4.60 116.55 114.70 2wh3 n ASP 29 Ca -0.02 -3.26 0.00 0.00 2.57 0.00 0.00 54.79 54.08 2wh3 n ASP 29 Cb 0.36 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.57 2wh3 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wh3 n GLY 30 N -0.24 -1.75 3.35 0.44 0.00 -0.65 -4.93 105.19 101.40 2wh3 n GLY 30 Ca 0.42 -1.11 -0.46 0.00 0.00 0.00 0.00 46.02 44.87 2wh3 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh3 s LYS 31 N 0.00 3.40 0.62 1.61 2.20 -1.26 -5.02 119.74 121.29 2wh3 s LYS 31 Ca 0.00 -2.06 -0.14 0.00 -0.36 0.00 0.00 55.97 53.40 2wh3 s LYS 31 Cb 0.00 -4.44 -0.03 0.00 -1.51 0.00 0.00 37.83 31.85 2wh3 s LYS 31 CO 0.00 -1.39 1.05 1.52 -0.36 0.00 0.00 175.35 176.17 2wh3 s TYR 32 N 1.12 3.07 0.16 4.03 -0.00 -1.26 -4.84 117.35 119.63 2wh3 s TYR 32 Ca 0.16 1.48 -0.00 0.00 -0.00 0.00 0.00 57.07 58.70 2wh3 s TYR 32 Cb -0.16 -2.95 -0.02 0.00 -0.00 0.00 0.00 41.96 38.84 2wh3 s TYR 32 CO -0.04 -1.07 1.37 0.82 -0.00 0.00 0.00 175.55 176.62 2wh3 h ILE 33 N 0.14 1.44 -0.80 -3.49 1.08 -1.46 -3.47 117.51 110.96 2wh3 h ILE 33 Ca -0.46 -2.45 0.19 0.00 -0.39 0.00 0.00 64.86 61.75 2wh3 h ILE 33 Cb 1.21 2.37 -0.25 0.00 -3.07 0.00 0.00 36.82 37.08 2wh3 h ILE 33 CO 0.58 0.72 0.34 -0.70 -0.69 0.00 0.00 178.15 178.40 2wh3 s GLU 34 N -3.32 0.22 -0.16 2.37 2.12 -1.23 -5.02 118.70 113.68 2wh3 s GLU 34 Ca -0.04 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.52 2wh3 s GLU 34 Cb 0.10 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 2wh3 s GLU 34 CO 0.84 -0.07 1.31 0.21 -0.54 0.00 0.00 175.26 177.01 2wh3 s LYS 35 N 2.22 4.20 -0.17 4.30 2.20 -1.26 -2.75 119.74 128.48 2wh3 s LYS 35 Ca -0.02 1.69 -0.13 0.00 -0.36 0.00 0.00 55.97 57.14 2wh3 s LYS 35 Cb -0.04 -3.80 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 2wh3 s LYS 35 CO -0.17 -0.76 -0.21 0.44 -0.36 0.00 0.00 175.35 174.30 2wh3 n ILE 36 N 5.46 1.46 -4.21 5.43 -5.35 -1.19 -5.03 119.36 115.92 2wh3 n ILE 36 Ca 0.14 0.14 -0.17 0.00 -0.27 0.00 0.00 62.75 62.59 2wh3 n ILE 36 Cb 0.45 -2.32 -0.06 0.00 -1.74 0.00 0.00 39.64 35.97 2wh3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh3 n GLY 37 N 1.53 2.88 0.00 3.28 0.00 -1.23 -4.46 105.19 107.19 2wh3 n GLY 37 Ca -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2wh3 n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wh3 n TYR 38 N -0.56 -0.06 -2.77 1.61 0.18 -1.16 -1.66 117.16 112.73 2wh3 n TYR 38 Ca 0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.84 2wh3 n TYR 38 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2wh3 n TYR 38 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2wh3 n TYR 39 N -0.02 -0.19 0.00 -3.48 9.36 -1.23 -3.87 117.16 117.73 2wh3 n TYR 39 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wh3 n TYR 39 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2wh3 n TYR 39 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2wh3 n ASP 40 N -0.19 0.00 0.00 2.98 4.64 -1.22 -4.42 116.55 118.33 2wh3 n ASP 40 Ca 0.00 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.50 2wh3 n ASP 40 Cb 0.00 0.00 0.43 0.00 -1.04 0.00 0.00 41.12 40.51 2wh3 n ASP 40 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wh3 n PRO 41 N 0.00 0.13 0.00 -0.67 -0.04 -1.26 -2.88 135.00 130.28 2wh3 n PRO 41 Ca 0.00 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 2wh3 n PRO 41 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 2wh3 n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh3 n ARG 42 N -1.40 1.12 -1.66 0.54 1.74 -1.26 -4.95 116.66 110.79 2wh3 n ARG 42 Ca 0.07 -0.77 -0.08 0.00 -0.77 0.00 0.00 57.85 56.29 2wh3 n ARG 42 Cb 0.19 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 2wh3 n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wh3 n LYS 43 N -0.27 -1.63 0.00 5.56 4.01 -1.14 -4.78 118.16 119.92 2wh3 n LYS 43 Ca 0.12 0.46 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 2wh3 n LYS 43 Cb 0.40 -4.75 0.01 0.00 -0.51 0.00 0.00 35.03 30.18 2wh3 n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wh3 n THR 44 N -2.08 1.52 -4.23 -0.18 -2.24 -1.26 -4.65 114.28 101.17 2wh3 n THR 44 Ca -0.09 0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.87 2wh3 n THR 44 Cb 0.38 -1.37 -0.12 0.00 -2.10 0.00 0.00 70.33 67.11 2wh3 n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wh3 s THR 45 N -2.77 1.34 0.31 4.28 -1.32 -1.26 -5.02 115.64 111.20 2wh3 s THR 45 Ca 0.00 -1.38 0.38 0.00 -1.21 0.00 0.00 61.69 59.48 2wh3 s THR 45 Cb 0.00 -1.26 0.41 0.00 -1.51 0.00 0.00 72.50 70.15 2wh3 s THR 45 CO 0.01 -0.15 2.13 1.55 -2.21 0.00 0.00 174.62 175.95 2wh3 h PRO 46 N 4.24 0.00 -0.82 7.08 0.13 -2.03 -0.93 132.00 139.67 2wh3 h PRO 46 Ca -0.43 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.22 2wh3 h PRO 46 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 2wh3 h PRO 46 CO 0.40 0.00 0.41 -0.25 -0.23 0.00 0.00 178.00 178.33 2wh3 n ASP 47 N -3.05 4.52 0.00 1.44 8.00 -1.26 -4.78 116.55 121.41 2wh3 n ASP 47 Ca -0.01 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.78 2wh3 n ASP 47 Cb 0.20 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 2wh3 n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wh3 n TRP 48 N -1.05 0.00 -3.54 1.24 4.27 -0.36 -4.52 117.44 113.48 2wh3 n TRP 48 Ca 0.53 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 54.04 2wh3 n TRP 48 Cb 1.21 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 31.12 2wh3 n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2wh3 s LEU 49 N -1.24 -0.39 -0.06 5.67 2.96 -1.26 -3.46 118.68 120.91 2wh3 s LEU 49 Ca 0.00 0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 2wh3 s LEU 49 Cb 0.00 1.99 0.10 0.00 0.50 0.00 0.00 46.19 48.77 2wh3 s LEU 49 CO 0.00 -0.48 0.81 -0.75 -1.32 0.00 0.00 176.35 174.62 2wh3 s LYS 50 N -1.93 0.89 0.32 1.98 2.36 -1.25 -4.99 119.74 117.11 2wh3 s LYS 50 Ca 0.00 0.04 -0.08 0.00 -2.55 0.00 0.00 55.97 53.38 2wh3 s LYS 50 Cb -0.01 0.41 0.03 0.00 -1.05 0.00 0.00 37.83 37.22 2wh3 s LYS 50 CO -0.02 -0.31 0.55 0.28 1.55 0.00 0.00 175.35 177.40 2wh3 n VAL 51 N 0.50 0.00 -3.28 4.02 0.31 -1.26 -2.99 118.33 115.63 2wh3 n VAL 51 Ca -0.14 -1.15 -0.20 0.00 -0.01 0.00 0.00 64.34 62.84 2wh3 n VAL 51 Cb 0.59 0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 34.33 2wh3 n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wh3 s ASP 52 N -2.79 0.98 0.35 4.52 3.68 -1.26 -4.87 116.67 117.28 2wh3 s ASP 52 Ca 0.19 -2.30 0.16 0.00 2.13 0.00 0.00 52.55 52.73 2wh3 s ASP 52 Cb -0.03 0.29 1.11 0.00 -1.45 0.00 0.00 42.92 42.84 2wh3 s ASP 52 CO 0.14 -0.19 1.67 -0.37 0.13 0.00 0.00 175.17 176.55 2wh3 h VAL 53 N 4.85 0.32 -0.72 1.11 -1.51 -1.92 0.15 116.25 118.53 2wh3 h VAL 53 Ca 0.15 -0.11 0.14 0.00 -1.23 0.00 0.00 66.70 65.64 2wh3 h VAL 53 Cb 1.00 -0.04 -0.14 0.00 -2.13 0.00 0.00 31.29 29.98 2wh3 h VAL 53 CO 0.24 0.06 -0.23 -0.33 -1.23 0.00 0.00 177.57 176.08 2wh3 h GLU 54 N 0.33 -0.04 0.04 5.19 4.39 -1.99 0.26 114.58 122.76 2wh3 h GLU 54 Ca 0.73 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 60.22 2wh3 h GLU 54 Cb 1.72 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 2wh3 h GLU 54 CO -0.55 -0.03 -1.11 0.00 -1.16 0.00 0.00 179.01 176.16 2wh3 h ARG 55 N -0.04 0.09 -0.94 2.33 2.47 -1.27 -3.31 114.38 113.71 2wh3 h ARG 55 Ca 0.33 -0.16 0.23 0.00 -1.26 0.00 0.00 59.98 59.12 2wh3 h ARG 55 Cb 0.55 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 28.86 2wh3 h ARG 55 CO -0.76 1.07 0.62 0.00 0.56 0.00 0.00 179.97 181.47 2wh3 h ALA 56 N -0.23 2.31 -0.10 0.04 0.00 -0.65 0.59 119.26 121.24 2wh3 h ALA 56 Ca -0.27 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2wh3 h ALA 56 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2wh3 h ALA 56 CO -0.07 -0.62 -0.55 -0.09 0.00 0.00 0.00 179.25 177.92 2wh3 h ARG 57 N 0.34 0.28 0.00 0.00 2.43 -0.63 -2.81 114.38 113.99 2wh3 h ARG 57 Ca 0.49 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2wh3 h ARG 57 Cb 1.33 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2wh3 h ARG 57 CO -0.17 0.76 0.00 0.98 -1.51 0.00 0.00 179.97 180.02 2wh3 n TYR 58 N -3.92 0.00 -0.47 2.20 4.19 0.20 -0.92 117.16 118.44 2wh3 n TYR 58 Ca -0.02 0.00 0.42 0.00 3.31 0.00 0.00 57.90 61.61 2wh3 n TYR 58 Cb 0.58 -0.03 0.76 0.00 0.49 0.00 0.00 39.34 41.14 2wh3 n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 2wh3 h TRP 59 N 0.00 0.00 -0.07 2.98 4.06 -1.60 1.80 115.95 123.12 2wh3 h TRP 59 Ca 0.00 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.72 2wh3 h TRP 59 Cb 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.17 2wh3 h TRP 59 CO 0.01 0.00 -0.86 -0.07 -3.56 0.00 0.00 178.44 173.96 2wh3 h LEU 60 N 0.00 0.76 -2.11 -4.49 3.38 -1.44 -3.08 115.31 108.33 2wh3 h LEU 60 Ca 0.72 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2wh3 h LEU 60 Cb 2.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 43.48 2wh3 h LEU 60 CO -0.01 1.33 0.17 0.77 0.09 0.00 0.00 178.44 180.79 2wh3 h SER 61 N 0.39 0.00 -1.27 -0.43 4.64 0.47 -2.20 113.55 115.15 2wh3 h SER 61 Ca -0.07 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.57 2wh3 h SER 61 Cb 1.49 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.27 2wh3 h SER 61 CO 0.16 0.00 0.62 1.33 -0.87 0.00 0.00 176.83 178.07 2wh3 n VAL 62 N -4.20 3.41 -2.74 0.95 0.24 -1.07 -4.98 118.33 109.94 2wh3 n VAL 62 Ca 0.02 -3.59 -0.04 0.00 -2.04 0.00 0.00 64.34 58.69 2wh3 n VAL 62 Cb 0.30 -1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 31.45 2wh3 n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh3 n GLY 63 N -0.76 -3.79 0.00 7.63 0.00 -0.83 -5.02 105.19 102.42 2wh3 n GLY 63 Ca 0.57 1.28 0.00 0.00 0.00 0.00 0.00 46.02 47.87 2wh3 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 n ALA 64 N 1.89 0.00 0.00 4.61 0.00 -1.24 -4.70 120.51 121.07 2wh3 n ALA 64 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2wh3 n ALA 64 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2wh3 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 n GLN 65 N 0.00 0.00 -1.67 0.00 0.00 -1.26 -4.07 117.38 110.38 2wh3 n GLN 65 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.00 56.70 2wh3 n GLN 65 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 30.24 30.45 2wh3 n GLN 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2wh3 s PRO 66 N 0.00 -0.02 1.11 2.61 0.04 -1.26 -4.54 135.00 132.94 2wh3 s PRO 66 Ca 0.00 -0.33 -0.17 0.00 0.04 0.00 0.00 61.00 60.53 2wh3 s PRO 66 Cb 0.00 -1.76 0.13 0.00 0.04 0.00 0.00 34.50 32.91 2wh3 s PRO 66 CO 0.00 -2.87 0.19 2.41 0.04 0.00 0.00 177.00 176.77 2wh3 n THR 67 N -4.10 0.00 0.13 1.26 -1.04 -0.81 -4.62 114.28 105.10 2wh3 n THR 67 Ca 0.15 -0.31 -0.05 0.00 -2.04 0.00 0.00 64.05 61.80 2wh3 n THR 67 Cb 0.59 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 2wh3 n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wh3 h ASP 68 N -2.12 -0.28 0.00 8.00 3.32 -1.96 -1.88 116.42 121.51 2wh3 h ASP 68 Ca -0.54 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2wh3 h ASP 68 Cb 1.35 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2wh3 h ASP 68 CO 0.40 -0.18 0.01 1.07 -1.72 0.00 0.00 179.24 178.81 2wh3 n THR 69 N -2.99 1.15 -0.05 0.35 5.66 -1.26 -2.08 114.28 115.06 2wh3 n THR 69 Ca -0.04 0.29 -0.01 0.00 -3.05 0.00 0.00 64.05 61.24 2wh3 n THR 69 Cb 0.13 -1.29 -0.00 0.00 -1.55 0.00 0.00 70.33 67.61 2wh3 n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wh3 h ALA 70 N 1.96 0.00 -0.16 1.79 0.00 -1.77 -3.34 119.26 117.75 2wh3 h ALA 70 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2wh3 h ALA 70 Cb 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2wh3 h ALA 70 CO 0.00 0.16 0.27 0.07 0.00 0.00 0.00 179.25 179.75 2wh3 h ARG 71 N -0.96 0.00 -0.64 0.00 0.11 -0.78 -0.11 114.38 111.99 2wh3 h ARG 71 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2wh3 h ARG 71 Cb 0.16 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.21 2wh3 h ARG 71 CO 0.00 0.00 0.35 -0.09 0.10 0.00 0.00 179.97 180.33 2wh3 h ARG 72 N 0.00 0.90 0.00 0.08 2.43 -1.58 -1.67 114.38 114.55 2wh3 h ARG 72 Ca 0.07 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wh3 h ARG 72 Cb 0.62 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2wh3 h ARG 72 CO -0.00 0.68 0.00 1.28 -1.51 0.00 0.00 179.97 180.42 2wh3 n LEU 73 N -4.54 0.00 0.02 3.80 4.77 -0.06 -2.80 117.00 118.19 2wh3 n LEU 73 Ca 0.05 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 2wh3 n LEU 73 Cb 0.09 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2wh3 n LEU 73 CO 0.37 -0.00 -0.35 -0.07 -1.33 0.00 0.00 177.39 176.01 2wh3 h LEU 74 N 0.00 0.00 0.20 2.23 3.38 -1.31 -3.32 115.31 116.49 2wh3 h LEU 74 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2wh3 h LEU 74 Cb 0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.84 2wh3 h LEU 74 CO 0.00 0.70 -1.62 0.03 0.09 0.00 0.00 178.44 177.64 2wh3 h ARG 75 N 0.00 0.43 0.00 1.13 3.08 -1.43 0.53 114.38 118.12 2wh3 h ARG 75 Ca -0.20 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 59.12 2wh3 h ARG 75 Cb 1.71 0.27 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2wh3 h ARG 75 CO 0.06 1.35 0.00 0.94 -1.07 0.00 0.00 179.97 181.25 2wh3 n GLN 76 N -3.68 0.28 0.00 0.04 7.27 -1.12 0.31 117.38 120.49 2wh3 n GLN 76 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.85 2wh3 n GLN 76 Cb 1.06 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 32.46 2wh3 n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wh3 n ALA 77 N -0.76 0.81 -1.37 1.69 0.00 -1.21 -5.06 120.51 114.62 2wh3 n ALA 77 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2wh3 n ALA 77 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2wh3 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh3 n GLY 78 N 0.00 0.00 0.00 0.00 0.00 0.93 -4.94 105.19 101.18 2wh3 n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh3 n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh3 n VAL 79 N 1.54 0.00 0.02 1.61 0.31 -0.23 -4.75 118.33 116.84 2wh3 n VAL 79 Ca 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.33 2wh3 n VAL 79 Cb 0.00 0.25 -0.09 0.00 -0.91 0.00 0.00 33.84 33.09 2wh3 n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wh3 n PHE 80 N -0.31 0.78 -1.85 3.52 3.01 -1.26 -4.88 117.46 116.46 2wh3 n PHE 80 Ca 0.00 0.25 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 2wh3 n PHE 80 Cb 0.00 -1.00 -0.03 0.00 -0.01 0.00 0.00 39.48 38.44 2wh3 n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2wh3 s ARG 81 N -2.99 4.16 0.00 -1.08 3.52 -1.26 -4.88 118.95 116.42 2wh3 s ARG 81 Ca -0.04 2.39 0.12 0.00 -0.13 0.00 0.00 55.73 58.06 2wh3 s ARG 81 Cb 0.09 -4.06 0.32 0.00 -1.56 0.00 0.00 34.95 29.75 2wh3 s ARG 81 CO 0.82 -0.89 1.26 0.00 -0.81 0.00 0.00 175.30 175.68 2wh3 n GLN 82 N 7.28 2.78 0.00 5.12 0.00 -1.26 -5.00 117.38 126.30 2wh3 n GLN 82 Ca 0.18 -2.07 0.00 0.00 0.00 0.00 0.00 57.00 55.12 2wh3 n GLN 82 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.37 2wh3 n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wh3 n GLU 83 N 0.61 0.00 0.00 2.61 -0.58 -1.26 -5.28 120.64 116.74 2wh3 n GLU 83 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2wh3 n GLU 83 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 2wh3 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65