#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 s VAL 2 N 0.00 3.16 0.45 3.17 0.11 -1.26 -2.90 120.40 123.14 2uu9 s VAL 2 Ca 0.00 0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.45 2uu9 s VAL 2 Cb 0.00 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 31.66 2uu9 s VAL 2 CO 0.00 -0.02 0.54 -0.54 -3.33 0.00 0.00 175.10 171.74 2uu9 s LYS 3 N 3.91 2.61 -0.42 1.54 1.02 -0.16 -1.25 119.74 127.00 2uu9 s LYS 3 Ca 0.81 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 55.36 2uu9 s LYS 3 Cb -0.39 -2.58 0.14 0.00 -0.52 0.00 0.00 37.83 34.47 2uu9 s LYS 3 CO 0.36 -0.37 0.23 0.42 -0.92 0.00 0.00 175.35 175.07 2uu9 s ILE 4 N -2.47 1.06 0.04 2.17 1.01 -0.64 -1.71 121.20 120.66 2uu9 s ILE 4 Ca 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 60.65 58.84 2uu9 s ILE 4 Cb -0.07 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 2uu9 s ILE 4 CO 0.32 -0.93 0.01 -2.11 0.00 0.00 0.00 174.94 172.23 2uu9 n ARG 5 N 3.66 1.46 -3.81 2.79 1.85 -0.42 -2.25 116.66 119.94 2uu9 n ARG 5 Ca 0.10 -0.32 -0.36 0.00 -1.00 0.00 0.00 57.85 56.27 2uu9 n ARG 5 Cb 0.35 0.12 -0.06 0.00 -1.05 0.00 0.00 32.46 31.83 2uu9 n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2uu9 s LEU 6 N 0.00 4.39 -0.12 2.89 1.02 -1.26 -0.31 118.68 125.29 2uu9 s LEU 6 Ca 0.01 0.53 0.03 0.00 0.02 0.00 0.00 54.13 54.71 2uu9 s LEU 6 Cb 0.00 -2.38 0.01 0.00 0.02 0.00 0.00 46.19 43.83 2uu9 s LEU 6 CO 0.01 0.33 -0.23 0.00 0.02 0.00 0.00 176.35 176.48 2uu9 s ALA 7 N -1.16 2.22 -0.19 4.21 0.00 -0.71 -4.92 121.76 121.21 2uu9 s ALA 7 Ca 0.21 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 2uu9 s ALA 7 Cb -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2uu9 s ALA 7 CO 0.11 0.10 1.39 1.03 0.00 0.00 0.00 175.76 178.38 2uu9 s ARG 8 N 0.62 4.07 0.00 0.00 1.81 -1.26 -1.47 118.95 122.72 2uu9 s ARG 8 Ca -0.12 1.63 0.00 0.00 -1.72 0.00 0.00 55.73 55.52 2uu9 s ARG 8 Cb -0.16 -3.87 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 2uu9 s ARG 8 CO 0.02 -0.93 0.59 1.19 -0.68 0.00 0.00 175.30 175.49 2uu9 n PHE 9 N 7.26 0.00 0.00 -0.53 3.72 0.64 -4.91 117.46 123.65 2uu9 n PHE 9 Ca 0.15 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2uu9 n PHE 9 Cb 0.45 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2uu9 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uu9 n GLY 10 N -0.16 -0.97 3.61 1.37 0.00 -1.09 -4.60 105.19 103.35 2uu9 n GLY 10 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2uu9 n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uu9 s SER 11 N -1.57 -0.03 -0.33 1.61 1.04 -0.70 -4.85 113.70 108.87 2uu9 s SER 11 Ca 0.00 -0.01 -0.41 0.00 0.48 0.00 0.00 55.95 56.01 2uu9 s SER 11 Cb 0.00 0.04 -0.16 0.00 0.10 0.00 0.00 66.02 66.00 2uu9 s SER 11 CO 0.00 -0.07 1.80 1.17 0.98 0.00 0.00 173.24 177.12 2uu9 n LYS 12 N -0.18 0.93 -1.14 4.02 4.81 -1.26 0.91 118.16 126.25 2uu9 n LYS 12 Ca -0.00 0.33 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 2uu9 n LYS 12 Cb 0.59 -2.03 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 2uu9 n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2uu9 n HIS 13 N 5.81 0.00 -3.17 5.64 8.25 -1.26 -4.89 115.22 125.60 2uu9 n HIS 13 Ca 0.30 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.58 2uu9 n HIS 13 Cb 0.10 -1.49 -0.03 0.00 1.12 0.00 0.00 29.99 29.70 2uu9 n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2uu9 n ASN 14 N -0.16 0.66 -4.77 0.41 5.15 0.26 -5.12 115.26 111.70 2uu9 n ASN 14 Ca -0.05 -3.03 -0.39 0.00 -0.60 0.00 0.00 54.58 50.51 2uu9 n ASN 14 Cb 0.30 -0.51 -0.01 0.00 -0.53 0.00 0.00 39.78 39.03 2uu9 n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2uu9 s PRO 15 N -2.26 4.02 -0.16 1.20 0.04 -1.24 -1.72 135.00 134.88 2uu9 s PRO 15 Ca 0.39 2.13 -0.05 0.00 0.04 0.00 0.00 61.00 63.51 2uu9 s PRO 15 Cb 0.34 -2.79 0.08 0.00 0.04 0.00 0.00 34.50 32.17 2uu9 s PRO 15 CO -0.08 -0.44 0.28 -1.01 0.04 0.00 0.00 177.00 175.79 2uu9 s HIS 16 N -1.26 -0.46 0.27 0.56 3.76 -1.26 -4.48 115.29 112.41 2uu9 s HIS 16 Ca 0.56 0.89 0.05 0.00 -0.15 0.00 0.00 55.06 56.41 2uu9 s HIS 16 Cb -0.37 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 2uu9 s HIS 16 CO 0.48 -0.43 0.40 0.71 -0.85 0.00 0.00 174.74 175.04 2uu9 s TYR 17 N 2.43 3.39 -0.18 1.40 1.51 -0.49 -0.26 117.35 125.15 2uu9 s TYR 17 Ca 0.03 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2uu9 s TYR 17 Cb -0.13 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2uu9 s TYR 17 CO -0.10 0.33 -0.18 1.03 -1.11 0.00 0.00 175.55 175.52 2uu9 s ARG 18 N -4.04 3.04 -0.34 -0.62 0.52 -0.54 -1.78 118.95 115.19 2uu9 s ARG 18 Ca 0.36 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 2uu9 s ARG 18 Cb -0.09 -2.61 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 2uu9 s ARG 18 CO 0.30 -0.19 1.44 0.42 0.02 0.00 0.00 175.30 177.29 2uu9 s ILE 19 N 1.26 3.92 0.23 1.52 1.01 0.11 -1.74 121.20 127.51 2uu9 s ILE 19 Ca 0.04 0.99 0.11 0.00 0.00 0.00 0.00 60.65 61.79 2uu9 s ILE 19 Cb -0.13 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 2uu9 s ILE 19 CO -0.11 -0.56 -0.18 -0.69 0.00 0.00 0.00 174.94 173.40 2uu9 s VAL 20 N 5.15 2.62 -0.67 2.92 1.01 0.58 -0.65 120.40 131.38 2uu9 s VAL 20 Ca 0.63 -2.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 2uu9 s VAL 20 Cb -0.17 -2.32 0.17 0.00 0.00 0.00 0.00 36.38 34.06 2uu9 s VAL 20 CO 0.29 -0.24 0.49 -0.69 0.00 0.00 0.00 175.10 174.95 2uu9 s VAL 21 N -2.03 3.79 0.19 2.92 1.01 -0.75 -1.30 120.40 124.22 2uu9 s VAL 21 Ca 0.26 -3.13 0.11 0.00 0.00 0.00 0.00 61.98 59.21 2uu9 s VAL 21 Cb -0.07 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2uu9 s VAL 21 CO 0.13 -0.91 -0.24 0.28 0.00 0.00 0.00 175.10 174.36 2uu9 s THR 22 N -0.30 2.38 0.13 3.92 -1.32 -0.70 -1.29 115.64 118.47 2uu9 s THR 22 Ca 0.19 -1.98 -0.31 0.00 -1.21 0.00 0.00 61.69 58.37 2uu9 s THR 22 Cb -0.18 -2.13 -0.10 0.00 -1.51 0.00 0.00 72.50 68.58 2uu9 s THR 22 CO -0.05 -0.09 1.69 -0.62 -2.21 0.00 0.00 174.62 173.34 2uu9 s ASP 23 N -2.61 6.51 0.31 8.08 -1.08 -1.26 -0.98 116.67 125.64 2uu9 s ASP 23 Ca 0.20 2.66 0.04 0.00 -0.52 0.00 0.00 52.55 54.93 2uu9 s ASP 23 Cb -0.08 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.60 2uu9 s ASP 23 CO 0.10 -0.92 1.51 0.00 0.52 0.00 0.00 175.17 176.38 2uu9 n ALA 24 N 4.90 0.55 0.38 3.66 0.00 -1.14 -1.18 120.51 127.68 2uu9 n ALA 24 Ca 0.16 1.03 0.06 0.00 0.00 0.00 0.00 53.44 54.69 2uu9 n ALA 24 Cb 0.38 -0.78 0.27 0.00 0.00 0.00 0.00 19.45 19.32 2uu9 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uu9 n ARG 25 N -5.41 0.02 -1.96 0.00 1.74 -1.26 -4.83 116.66 104.96 2uu9 n ARG 25 Ca 0.24 0.32 -0.29 0.00 -0.77 0.00 0.00 57.85 57.36 2uu9 n ARG 25 Cb 0.80 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.77 2uu9 n ARG 25 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2uu9 s ARG 26 N -3.04 2.32 0.86 5.56 3.52 -0.32 -5.04 118.95 122.80 2uu9 s ARG 26 Ca 0.05 0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.71 2uu9 s ARG 26 Cb 0.07 -2.01 0.11 0.00 -1.56 0.00 0.00 34.95 31.56 2uu9 s ARG 26 CO 0.22 -1.34 1.09 -1.59 -0.81 0.00 0.00 175.30 172.88 2uu9 s LYS 27 N -5.44 1.57 0.11 5.12 -2.85 -1.26 -4.96 119.74 112.03 2uu9 s LYS 27 Ca 0.60 1.04 -0.11 0.00 -1.00 0.00 0.00 55.97 56.50 2uu9 s LYS 27 Cb -0.11 -1.83 -0.13 0.00 -2.06 0.00 0.00 37.83 33.70 2uu9 s LYS 27 CO 0.49 -2.09 1.31 0.07 0.10 0.00 0.00 175.35 175.23 2uu9 h ARG 28 N -1.45 0.72 -0.73 1.78 0.11 -1.95 -3.08 114.38 109.79 2uu9 h ARG 28 Ca -0.47 -0.61 -0.05 0.00 0.10 0.00 0.00 59.98 58.95 2uu9 h ARG 28 Cb 1.26 0.14 -0.03 0.00 1.11 0.00 0.00 29.97 32.45 2uu9 h ARG 28 CO 0.52 1.22 0.07 -0.25 0.10 0.00 0.00 179.97 181.62 2uu9 n ASP 29 N -3.90 4.37 -2.53 0.08 10.43 -1.26 -4.62 116.55 119.12 2uu9 n ASP 29 Ca -0.07 -2.75 -0.04 0.00 2.57 0.00 0.00 54.79 54.49 2uu9 n ASP 29 Cb 0.76 -0.65 0.02 0.00 1.84 0.00 0.00 41.12 43.09 2uu9 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2uu9 n GLY 30 N 0.30 1.20 3.46 0.44 0.00 -1.16 -4.96 105.19 104.47 2uu9 n GLY 30 Ca 0.24 -2.04 -0.46 0.00 0.00 0.00 0.00 46.02 43.76 2uu9 n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uu9 n LYS 31 N -1.32 0.63 -2.63 1.61 4.81 -1.26 -4.93 118.16 115.07 2uu9 n LYS 31 Ca 0.03 0.11 -0.24 0.00 -0.87 0.00 0.00 58.31 57.33 2uu9 n LYS 31 Cb 0.12 -2.29 0.03 0.00 0.02 0.00 0.00 35.03 32.91 2uu9 n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2uu9 s TYR 32 N 8.78 3.17 -0.12 5.64 1.13 -1.26 -4.83 117.35 129.86 2uu9 s TYR 32 Ca 1.16 0.40 0.15 0.00 -1.41 0.00 0.00 57.07 57.36 2uu9 s TYR 32 Cb -0.90 -2.62 -0.03 0.00 -1.10 0.00 0.00 41.96 37.31 2uu9 s TYR 32 CO 0.46 -0.70 1.21 0.82 -2.51 0.00 0.00 175.55 174.83 2uu9 h ILE 33 N 0.04 0.82 -1.08 -3.49 2.04 -1.55 -3.48 117.51 110.81 2uu9 h ILE 33 Ca -0.45 -2.27 0.19 0.00 1.00 0.00 0.00 64.86 63.33 2uu9 h ILE 33 Cb 1.26 2.33 -0.33 0.00 -0.74 0.00 0.00 36.82 39.35 2uu9 h ILE 33 CO 0.58 0.47 0.85 -0.70 0.00 0.00 0.00 178.15 179.35 2uu9 s GLU 34 N -2.92 0.07 0.08 2.37 2.12 -1.19 -4.97 118.70 114.26 2uu9 s GLU 34 Ca 0.01 0.09 -0.21 0.00 0.36 0.00 0.00 54.97 55.22 2uu9 s GLU 34 Cb 0.08 0.03 -0.07 0.00 0.26 0.00 0.00 34.13 34.44 2uu9 s GLU 34 CO 0.78 -0.01 0.62 0.21 -0.54 0.00 0.00 175.26 176.32 2uu9 s LYS 35 N 0.18 4.30 -0.02 4.30 2.20 -1.26 -1.82 119.74 127.63 2uu9 s LYS 35 Ca 0.05 0.83 0.03 0.00 -0.36 0.00 0.00 55.97 56.52 2uu9 s LYS 35 Cb -0.05 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.06 2uu9 s LYS 35 CO -0.15 0.57 0.86 0.44 -0.36 0.00 0.00 175.35 176.71 2uu9 n ILE 36 N 1.90 0.44 0.00 5.43 -5.35 0.18 -4.98 119.36 116.99 2uu9 n ILE 36 Ca -0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2uu9 n ILE 36 Cb 0.50 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 2uu9 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uu9 n GLY 37 N -0.30 0.81 3.14 3.28 0.00 -1.18 -0.82 105.19 110.12 2uu9 n GLY 37 Ca 0.03 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 2uu9 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2uu9 s TYR 38 N -1.87 0.80 -0.17 1.61 -0.85 -0.45 0.09 117.35 116.52 2uu9 s TYR 38 Ca 0.00 -1.20 -0.07 0.00 -0.52 0.00 0.00 57.07 55.28 2uu9 s TYR 38 Cb 0.00 -0.47 0.07 0.00 0.38 0.00 0.00 41.96 41.94 2uu9 s TYR 38 CO 0.00 -0.48 0.37 -0.47 -1.52 0.00 0.00 175.55 173.45 2uu9 s TYR 39 N -4.01 -0.62 -0.56 -3.49 5.04 -0.73 -2.03 117.35 110.94 2uu9 s TYR 39 Ca 0.21 1.28 -0.09 0.00 -2.44 0.00 0.00 57.07 56.02 2uu9 s TYR 39 Cb 0.08 0.20 0.14 0.00 0.35 0.00 0.00 41.96 42.73 2uu9 s TYR 39 CO -0.01 -0.39 0.44 0.34 -1.34 0.00 0.00 175.55 174.60 2uu9 s ASP 40 N 2.06 5.83 0.09 4.32 3.68 -0.32 -1.40 116.67 130.93 2uu9 s ASP 40 Ca -0.04 -2.20 0.05 0.00 2.13 0.00 0.00 52.55 52.48 2uu9 s ASP 40 Cb -0.11 -2.03 0.27 0.00 -1.45 0.00 0.00 42.92 39.60 2uu9 s ASP 40 CO -0.12 -0.63 1.07 -0.81 0.13 0.00 0.00 175.17 174.82 2uu9 n PRO 41 N 4.52 0.03 0.00 4.34 -0.04 -1.26 -0.76 135.00 141.83 2uu9 n PRO 41 Ca -0.02 0.47 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2uu9 n PRO 41 Cb 0.41 -1.71 0.06 0.00 -0.04 0.00 0.00 33.50 32.22 2uu9 n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2uu9 n ARG 42 N -1.62 1.71 -3.88 0.54 1.74 -1.26 -5.00 116.66 108.89 2uu9 n ARG 42 Ca -0.00 -1.46 -0.37 0.00 -0.77 0.00 0.00 57.85 55.25 2uu9 n ARG 42 Cb 0.11 -1.38 0.02 0.00 -1.02 0.00 0.00 32.46 30.19 2uu9 n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2uu9 n LYS 43 N 0.77 -0.79 -0.92 5.56 4.01 0.06 -4.85 118.16 121.99 2uu9 n LYS 43 Ca 0.11 0.37 0.05 0.00 -0.51 0.00 0.00 58.31 58.32 2uu9 n LYS 43 Cb 0.47 -2.98 0.39 0.00 -0.51 0.00 0.00 35.03 32.40 2uu9 n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2uu9 n THR 44 N -4.20 2.81 -3.57 -0.18 -2.24 -1.26 -4.87 114.28 100.76 2uu9 n THR 44 Ca -0.15 -1.47 -0.15 0.00 -2.27 0.00 0.00 64.05 60.02 2uu9 n THR 44 Cb 0.59 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2uu9 n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2uu9 s THR 45 N -2.82 0.00 -1.46 4.28 -1.32 -1.26 -5.00 115.64 108.06 2uu9 s THR 45 Ca 0.55 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.08 2uu9 s THR 45 Cb 0.42 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.50 2uu9 s THR 45 CO 0.15 0.00 0.98 -0.81 -2.21 0.00 0.00 174.62 172.74 2uu9 n PRO 46 N 1.49 0.07 -2.94 7.08 -0.04 -1.26 -2.39 135.00 137.01 2uu9 n PRO 46 Ca -0.15 0.23 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 2uu9 n PRO 46 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2uu9 n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2uu9 n ASP 47 N -1.27 5.09 -1.31 3.54 4.64 -1.26 -4.80 116.55 121.18 2uu9 n ASP 47 Ca 0.02 -3.65 0.08 0.00 -1.38 0.00 0.00 54.79 49.86 2uu9 n ASP 47 Cb 0.04 -0.73 0.29 0.00 -1.04 0.00 0.00 41.12 39.67 2uu9 n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2uu9 n TRP 48 N -0.00 1.17 -3.25 -0.67 4.27 -1.01 -4.82 117.44 113.14 2uu9 n TRP 48 Ca 0.34 -0.47 0.04 0.00 -3.89 0.00 0.00 57.50 53.52 2uu9 n TRP 48 Cb 0.36 -0.19 -0.03 0.00 -1.36 0.00 0.00 31.31 30.09 2uu9 n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2uu9 s LEU 49 N -1.53 -0.43 -0.01 5.67 2.96 -1.26 -1.17 118.68 122.90 2uu9 s LEU 49 Ca 0.41 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2uu9 s LEU 49 Cb 0.26 1.43 0.00 0.00 0.50 0.00 0.00 46.19 48.38 2uu9 s LEU 49 CO 0.20 -0.08 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.33 2uu9 s LYS 50 N 2.60 0.63 -0.02 1.98 2.20 -0.86 -4.99 119.74 121.27 2uu9 s LYS 50 Ca -0.01 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2uu9 s LYS 50 Cb -0.07 -0.62 0.03 0.00 -1.51 0.00 0.00 37.83 35.66 2uu9 s LYS 50 CO -0.14 0.10 0.01 0.08 -0.36 0.00 0.00 175.35 175.03 2uu9 s VAL 51 N 0.08 0.11 -1.10 4.02 1.01 -1.26 -1.33 120.40 121.91 2uu9 s VAL 51 Ca -0.01 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2uu9 s VAL 51 Cb -0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 36.05 2uu9 s VAL 51 CO -0.00 0.12 2.11 -0.67 0.00 0.00 0.00 175.10 176.66 2uu9 n ASP 52 N 4.06 3.52 -0.18 3.32 -0.08 0.00 -4.76 116.55 122.43 2uu9 n ASP 52 Ca -0.26 -2.72 0.16 0.00 -1.51 0.00 0.00 54.79 50.46 2uu9 n ASP 52 Cb 0.51 -1.36 0.30 0.00 2.34 0.00 0.00 41.12 42.91 2uu9 n ASP 52 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2uu9 n VAL 53 N 5.40 -0.23 0.20 5.18 3.14 -1.26 0.43 118.33 131.18 2uu9 n VAL 53 Ca 0.52 1.14 -0.08 0.00 -2.96 0.00 0.00 64.34 62.95 2uu9 n VAL 53 Cb 0.37 -1.81 -0.04 0.00 -1.06 0.00 0.00 33.84 31.30 2uu9 n VAL 53 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2uu9 h GLU 54 N 0.00 -0.51 -0.90 1.45 4.57 -1.99 -2.69 114.58 114.51 2uu9 h GLU 54 Ca 0.44 0.04 0.16 0.00 -1.18 0.00 0.00 59.36 58.82 2uu9 h GLU 54 Cb 1.14 0.12 -0.16 0.00 -0.16 0.00 0.00 28.75 29.69 2uu9 h GLU 54 CO -0.44 -0.34 -0.30 0.00 -1.18 0.00 0.00 179.01 176.74 2uu9 h ARG 55 N -0.79 -0.02 -0.15 1.92 2.47 -0.42 0.37 114.38 117.76 2uu9 h ARG 55 Ca -0.05 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2uu9 h ARG 55 Cb 0.41 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 2uu9 h ARG 55 CO 0.09 -0.02 -0.44 0.00 0.56 0.00 0.00 179.97 180.16 2uu9 h ALA 56 N 1.59 -0.79 -0.79 0.04 0.00 -1.21 -1.24 119.26 116.86 2uu9 h ALA 56 Ca 0.38 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.36 2uu9 h ALA 56 Cb 0.63 0.95 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 2uu9 h ALA 56 CO -0.92 -0.96 -0.34 0.54 0.00 0.00 0.00 179.25 177.57 2uu9 n ARG 57 N -4.88 -0.22 -0.10 0.00 1.74 0.12 -0.82 116.66 112.52 2uu9 n ARG 57 Ca -0.05 1.21 -0.07 0.00 -0.77 0.00 0.00 57.85 58.18 2uu9 n ARG 57 Cb 0.30 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2uu9 n ARG 57 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2uu9 h TYR 58 N 0.00 -0.75 0.26 -1.55 5.03 -0.49 -0.01 116.97 119.46 2uu9 h TYR 58 Ca 0.25 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 2uu9 h TYR 58 Cb 0.44 0.38 0.00 0.00 1.55 0.00 0.00 36.73 39.11 2uu9 h TYR 58 CO -0.72 -0.35 -0.13 -1.49 -1.32 0.00 0.00 178.16 174.16 2uu9 h TRP 59 N -0.23 -0.33 -1.05 -3.82 4.06 -0.68 -1.61 115.95 112.28 2uu9 h TRP 59 Ca 0.17 -0.01 0.32 0.00 2.06 0.00 0.00 58.89 61.43 2uu9 h TRP 59 Cb 0.50 0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 28.63 2uu9 h TRP 59 CO -0.48 -0.09 0.63 -0.07 -3.56 0.00 0.00 178.44 174.87 2uu9 h LEU 60 N -0.51 0.48 -0.62 -4.49 3.38 -1.02 0.66 115.31 113.20 2uu9 h LEU 60 Ca -0.04 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2uu9 h LEU 60 Cb 0.38 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2uu9 h LEU 60 CO 0.06 -0.09 0.21 0.77 0.09 0.00 0.00 178.44 179.48 2uu9 h SER 61 N 0.33 0.89 -0.23 -0.43 4.64 -0.15 -2.92 113.55 115.66 2uu9 h SER 61 Ca 0.72 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2uu9 h SER 61 Cb 1.74 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2uu9 h SER 61 CO -0.52 0.84 0.00 1.33 -0.87 0.00 0.00 176.83 177.61 2uu9 n VAL 62 N -4.40 0.31 0.00 0.95 0.24 0.22 -4.87 118.33 110.78 2uu9 n VAL 62 Ca 0.04 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2uu9 n VAL 62 Cb 0.20 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 2uu9 n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uu9 n GLY 63 N 0.93 1.15 3.74 7.63 0.00 -0.76 -5.08 105.19 112.80 2uu9 n GLY 63 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2uu9 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uu9 s ALA 64 N -2.00 3.48 -0.22 4.61 0.00 -0.83 -4.59 121.76 122.21 2uu9 s ALA 64 Ca 0.00 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 2uu9 s ALA 64 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2uu9 s ALA 64 CO 0.00 -0.45 -0.06 -0.65 0.00 0.00 0.00 175.76 174.60 2uu9 s GLN 65 N -0.40 3.27 0.41 0.00 -1.52 -0.38 -4.46 119.66 116.58 2uu9 s GLN 65 Ca 0.54 -0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 53.08 2uu9 s GLN 65 Cb -0.35 -2.96 -0.09 0.00 -0.22 0.00 0.00 33.01 29.39 2uu9 s GLN 65 CO 0.39 -0.23 0.87 -1.25 -0.25 0.00 0.00 175.29 174.82 2uu9 s PRO 66 N 1.44 4.05 1.05 2.91 0.04 -1.26 -1.62 135.00 141.62 2uu9 s PRO 66 Ca 0.05 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 2uu9 s PRO 66 Cb -0.14 -2.27 0.22 0.00 0.04 0.00 0.00 34.50 32.35 2uu9 s PRO 66 CO -0.04 -0.02 1.07 0.99 0.04 0.00 0.00 177.00 179.03 2uu9 s THR 67 N -2.23 2.15 0.36 1.26 2.01 -0.95 -4.70 115.64 113.54 2uu9 s THR 67 Ca 0.58 0.05 0.12 0.00 0.31 0.00 0.00 61.69 62.74 2uu9 s THR 67 Cb -0.10 -2.25 0.09 0.00 0.01 0.00 0.00 72.50 70.25 2uu9 s THR 67 CO 0.20 -0.06 1.82 0.44 -0.69 0.00 0.00 174.62 176.33 2uu9 h ASP 68 N -2.21 0.05 0.78 3.53 3.32 -1.97 0.24 116.42 120.17 2uu9 h ASP 68 Ca -0.56 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.23 2uu9 h ASP 68 Cb 1.31 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 2uu9 h ASP 68 CO 0.51 0.40 -1.22 0.74 -1.72 0.00 0.00 179.24 177.96 2uu9 h THR 69 N 0.05 1.48 -0.47 0.35 2.02 -1.96 -2.51 112.91 111.86 2uu9 h THR 69 Ca 0.00 -3.17 -0.11 0.00 0.77 0.00 0.00 66.41 63.90 2uu9 h THR 69 Cb 0.64 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 2uu9 h THR 69 CO 0.05 0.88 -0.15 0.00 0.37 0.00 0.00 175.52 176.66 2uu9 h ALA 70 N 0.83 0.83 -0.52 6.16 0.00 -1.74 -2.61 119.26 122.21 2uu9 h ALA 70 Ca -0.10 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2uu9 h ALA 70 Cb 1.88 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2uu9 h ALA 70 CO 0.14 0.65 -0.09 -0.09 0.00 0.00 0.00 179.25 179.86 2uu9 h ARG 71 N 0.80 0.99 -0.39 0.00 2.43 -0.98 -1.18 114.38 116.06 2uu9 h ARG 71 Ca 0.12 -0.36 0.08 0.00 -0.81 0.00 0.00 59.98 59.00 2uu9 h ARG 71 Cb 0.69 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 2uu9 h ARG 71 CO 0.05 1.04 -0.05 -0.09 -1.51 0.00 0.00 179.97 179.41 2uu9 h ARG 72 N 0.86 0.05 -0.01 0.20 2.43 -1.14 -1.39 114.38 115.36 2uu9 h ARG 72 Ca 0.14 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2uu9 h ARG 72 Cb 0.66 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2uu9 h ARG 72 CO 0.05 0.03 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.46 2uu9 h LEU 73 N 0.05 0.02 -1.36 3.80 3.38 -1.39 -2.26 115.31 117.54 2uu9 h LEU 73 Ca 0.19 -0.43 0.29 0.00 0.09 0.00 0.00 57.88 58.02 2uu9 h LEU 73 Cb 0.28 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 2uu9 h LEU 73 CO -0.36 0.45 0.69 -0.07 0.09 0.00 0.00 178.44 179.23 2uu9 h LEU 74 N -0.40 0.42 0.15 1.67 3.38 -0.87 0.91 115.31 120.57 2uu9 h LEU 74 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2uu9 h LEU 74 Cb 0.44 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2uu9 h LEU 74 CO 0.00 0.05 -0.07 -0.09 0.09 0.00 0.00 178.44 178.42 2uu9 h ARG 75 N 0.35 -0.20 -1.18 1.13 2.43 -1.17 0.15 114.38 115.89 2uu9 h ARG 75 Ca 0.62 0.01 0.34 0.00 -0.81 0.00 0.00 59.98 60.15 2uu9 h ARG 75 Cb 1.64 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.18 2uu9 h ARG 75 CO -0.32 0.22 0.84 0.37 -1.51 0.00 0.00 179.97 179.58 2uu9 h GLN 76 N -0.90 0.04 0.00 0.20 4.15 -0.60 4.80 115.11 122.79 2uu9 h GLN 76 Ca -0.02 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2uu9 h GLN 76 Cb 0.51 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2uu9 h GLN 76 CO 0.03 0.02 -0.04 0.00 -1.93 0.00 0.00 178.83 176.91 2uu9 n ALA 77 N -2.74 2.36 -0.04 3.38 0.00 0.19 -4.92 120.51 118.74 2uu9 n ALA 77 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2uu9 n ALA 77 Cb 1.22 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2uu9 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uu9 n GLY 78 N 1.37 0.96 0.30 0.00 0.00 1.57 -4.94 105.19 104.45 2uu9 n GLY 78 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2uu9 n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uu9 h VAL 79 N 0.00 0.93 -0.01 1.61 2.07 -0.79 -2.89 116.25 117.17 2uu9 h VAL 79 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2uu9 h VAL 79 Cb 0.00 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2uu9 h VAL 79 CO 0.00 0.01 -0.78 0.49 0.02 0.00 0.00 177.57 177.31 2uu9 n PHE 80 N -4.49 0.00 -1.90 1.57 3.01 -1.26 -4.94 117.46 109.45 2uu9 n PHE 80 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 2uu9 n PHE 80 Cb 0.24 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.74 2uu9 n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2uu9 s ARG 81 N -2.74 3.40 0.08 -1.08 3.52 -1.09 -4.97 118.95 116.06 2uu9 s ARG 81 Ca 0.11 2.16 -0.00 0.00 -0.13 0.00 0.00 55.73 57.87 2uu9 s ARG 81 Cb 0.16 -2.38 -0.00 0.00 -1.56 0.00 0.00 34.95 31.17 2uu9 s ARG 81 CO 0.73 -0.96 -0.01 1.04 -0.81 0.00 0.00 175.30 175.30 2uu9 n GLN 82 N -0.72 0.01 -0.74 5.12 6.02 -1.26 -5.11 117.38 120.69 2uu9 n GLN 82 Ca 0.09 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 2uu9 n GLN 82 Cb 0.45 -0.51 -0.05 0.00 1.02 0.00 0.00 30.24 31.15 2uu9 n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2uu9 n GLU 83 N -3.42 -1.69 0.00 -1.09 -0.58 -1.26 -5.28 120.64 107.32 2uu9 n GLU 83 Ca -0.00 1.35 0.00 0.00 -0.42 0.00 0.00 57.16 58.09 2uu9 n GLU 83 Cb 0.11 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 28.99 2uu9 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65