#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uh6 s LYS 2 N 0.00 0.86 0.02 0.03 0.00 -1.26 -5.15 119.74 114.24 1uh6 s LYS 2 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 55.97 54.59 1uh6 s LYS 2 Cb 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 37.83 37.25 1uh6 s LYS 2 CO 0.00 0.13 1.06 0.20 0.00 0.00 0.00 175.35 176.73 1uh6 s GLY 3 N -2.20 -0.34 0.90 0.59 0.00 -1.26 -5.17 107.32 99.84 1uh6 s GLY 3 Ca 0.03 0.72 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 1uh6 s GLY 3 CO 0.01 0.20 1.10 -1.35 0.00 0.00 0.00 173.10 173.06 1uh6 s SER 4 N -2.71 3.31 0.99 1.64 1.04 -1.26 -4.98 113.70 111.72 1uh6 s SER 4 Ca 0.10 1.75 -0.11 0.00 0.48 0.00 0.00 55.95 58.17 1uh6 s SER 4 Cb 0.00 -2.37 0.19 0.00 0.10 0.00 0.00 66.02 63.94 1uh6 s SER 4 CO -0.03 -2.78 1.11 -0.55 0.98 0.00 0.00 173.24 171.97 1uh6 s SER 5 N -3.13 2.35 -0.43 7.02 0.15 -1.26 -5.00 113.70 113.39 1uh6 s SER 5 Ca 0.64 2.01 0.02 0.00 0.70 0.00 0.00 55.95 59.32 1uh6 s SER 5 Cb -0.20 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 1uh6 s SER 5 CO 0.58 -3.43 0.23 -2.28 1.20 0.00 0.00 173.24 169.53 1uh6 s HIS 6 N -2.59 2.04 1.27 3.44 2.46 -1.26 -5.12 115.29 115.54 1uh6 s HIS 6 Ca 0.67 -2.43 -0.17 0.00 0.47 0.00 0.00 55.06 53.61 1uh6 s HIS 6 Cb -0.23 -1.94 0.31 0.00 -0.13 0.00 0.00 32.58 30.59 1uh6 s HIS 6 CO 0.60 -0.79 0.85 0.72 -2.47 0.00 0.00 174.74 173.65 1uh6 n HIS 7 N 3.62 -2.17 -3.48 3.88 8.25 -1.26 -5.06 115.22 119.00 1uh6 n HIS 7 Ca 0.08 -0.35 -0.14 0.00 -0.26 0.00 0.00 57.72 57.05 1uh6 n HIS 7 Cb 0.35 -1.56 -0.04 0.00 1.12 0.00 0.00 29.99 29.86 1uh6 n HIS 7 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1uh6 s HIS 8 N -2.28 -0.57 -0.26 4.41 -3.43 -1.26 -5.12 115.29 106.77 1uh6 s HIS 8 Ca 0.66 0.71 -0.29 0.00 -0.80 0.00 0.00 55.06 55.34 1uh6 s HIS 8 Cb -0.20 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 31.43 1uh6 s HIS 8 CO 0.62 -0.69 1.36 -1.58 -2.00 0.00 0.00 174.74 172.46 1uh6 s HIS 9 N -2.36 2.59 -0.08 0.38 2.46 -1.26 -4.91 115.29 112.11 1uh6 s HIS 9 Ca -0.04 0.82 -0.00 0.00 0.47 0.00 0.00 55.06 56.30 1uh6 s HIS 9 Cb -0.01 -3.87 -0.00 0.00 -0.13 0.00 0.00 32.58 28.58 1uh6 s HIS 9 CO -0.01 -1.98 -0.01 0.45 -2.47 0.00 0.00 174.74 170.72 1uh6 h HIS 10 N 9.42 0.00 -5.21 3.88 3.86 -2.05 -3.50 115.15 121.56 1uh6 h HIS 10 Ca -0.28 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1uh6 h HIS 10 Cb 1.11 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.48 1uh6 h HIS 10 CO 0.88 0.00 -1.20 1.58 0.86 0.00 0.00 177.93 180.05 1uh6 n HIS 11 N -4.07 -3.51 -3.24 2.45 -0.00 -1.26 -5.06 115.22 100.53 1uh6 n HIS 11 Ca -0.00 2.05 0.04 0.00 -0.00 0.00 0.00 57.72 59.80 1uh6 n HIS 11 Cb 0.01 -3.25 -0.03 0.00 -0.00 0.00 0.00 29.99 26.72 1uh6 n HIS 11 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1uh6 s SER 12 N -0.50 -0.35 0.13 0.26 0.01 -1.26 -5.17 113.70 106.81 1uh6 s SER 12 Ca -0.20 0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.51 1uh6 s SER 12 Cb 0.01 1.36 -0.04 0.00 0.21 0.00 0.00 66.02 67.56 1uh6 s SER 12 CO 0.55 -0.07 -0.17 -0.55 0.41 0.00 0.00 173.24 173.41 1uh6 s SER 13 N 2.52 2.36 0.04 2.44 0.15 -1.26 -5.08 113.70 114.86 1uh6 s SER 13 Ca -0.02 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1uh6 s SER 13 Cb -0.06 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1uh6 s SER 13 CO -0.14 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1uh6 n GLY 14 N 0.64 -2.56 3.26 9.45 0.00 -1.26 -5.06 105.19 109.66 1uh6 n GLY 14 Ca -0.16 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.46 1uh6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 s ALA 15 N -2.93 -3.03 -0.31 4.61 0.00 -1.26 -5.12 121.76 113.72 1uh6 s ALA 15 Ca 0.00 1.76 -0.12 0.00 0.00 0.00 0.00 51.96 53.60 1uh6 s ALA 15 Cb 0.00 -2.27 0.19 0.00 0.00 0.00 0.00 23.12 21.04 1uh6 s ALA 15 CO 0.00 -1.19 1.11 -1.12 0.00 0.00 0.00 175.76 174.56 1uh6 s SER 16 N 2.66 -0.14 -0.01 0.00 0.01 -1.26 -5.17 113.70 109.78 1uh6 s SER 16 Ca 0.00 -0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 1uh6 s SER 16 Cb -0.08 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.42 1uh6 s SER 16 CO -0.15 -0.02 0.29 -0.76 0.41 0.00 0.00 173.24 173.01 1uh6 s LEU 17 N 2.06 0.95 0.18 2.44 1.43 -1.26 -5.17 118.68 119.31 1uh6 s LEU 17 Ca 0.15 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1uh6 s LEU 17 Cb 0.04 1.18 -0.04 0.00 0.03 0.00 0.00 46.19 47.40 1uh6 s LEU 17 CO -0.17 -0.44 0.00 0.68 0.23 0.00 0.00 176.35 176.66 1uh6 s VAL 18 N -1.36 3.73 -0.01 -1.59 -7.23 -1.26 -5.05 120.40 107.64 1uh6 s VAL 18 Ca -0.14 -1.43 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 1uh6 s VAL 18 Cb -0.05 -2.88 -0.22 0.00 0.56 0.00 0.00 36.38 33.78 1uh6 s VAL 18 CO 0.04 -0.12 1.11 1.55 -0.31 0.00 0.00 175.10 177.37 1uh6 h PRO 19 N 2.67 0.34 -4.96 4.82 0.13 -2.05 -3.49 132.00 129.44 1uh6 h PRO 19 Ca -0.47 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1uh6 h PRO 19 Cb 1.20 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uh6 h PRO 19 CO 0.58 1.00 -0.60 0.54 -0.23 0.00 0.00 178.00 179.30 1uh6 n ARG 20 N -4.35 -2.47 -1.34 0.86 5.12 -1.26 -4.83 116.66 108.39 1uh6 n ARG 20 Ca -0.09 2.15 0.00 0.00 -1.93 0.00 0.00 57.85 57.98 1uh6 n ARG 20 Cb 0.58 -5.08 0.00 0.00 -1.16 0.00 0.00 32.46 26.80 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uh6 n GLY 21 N 0.01 -2.59 3.20 -0.13 0.00 -1.26 -5.08 105.19 99.34 1uh6 n GLY 21 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uh6 s SER 22 N 0.00 2.71 0.54 1.61 1.04 -1.26 -5.03 113.70 113.31 1uh6 s SER 22 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1uh6 s SER 22 Cb 0.00 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1uh6 s SER 22 CO 0.00 0.18 0.00 -0.62 0.98 0.00 0.00 173.24 173.78 1uh6 n GLU 23 N 3.24 -4.16 0.00 4.02 4.71 -1.26 -4.90 120.64 122.29 1uh6 n GLU 23 Ca -0.19 3.17 0.00 0.00 -0.01 0.00 0.00 57.16 60.14 1uh6 n GLU 23 Cb 0.52 -3.80 0.00 0.00 -1.01 0.00 0.00 31.44 27.16 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uh6 n GLY 24 N -1.88 1.44 3.25 0.62 0.00 -1.26 -4.67 105.19 102.69 1uh6 n GLY 24 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1uh6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 n ALA 25 N -1.97 4.46 -2.72 4.61 0.00 -1.26 -4.71 120.51 118.92 1uh6 n ALA 25 Ca 0.00 -4.48 -0.03 0.00 0.00 0.00 0.00 53.44 48.92 1uh6 n ALA 25 Cb 0.00 -2.74 0.02 0.00 0.00 0.00 0.00 19.45 16.73 1uh6 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uh6 s ALA 26 N -0.26 -3.56 0.58 0.00 0.00 -1.26 -4.79 121.76 112.47 1uh6 s ALA 26 Ca 0.37 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 1uh6 s ALA 26 Cb -0.02 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1uh6 s ALA 26 CO -0.01 -2.41 1.08 0.99 0.00 0.00 0.00 175.76 175.40 1uh6 s THR 27 N 0.98 3.59 -0.17 0.00 2.01 -1.26 -4.75 115.64 116.04 1uh6 s THR 27 Ca 0.26 0.82 -0.06 0.00 0.31 0.00 0.00 61.69 63.02 1uh6 s THR 27 Cb 0.07 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1uh6 s THR 27 CO -0.09 -0.38 0.02 -0.32 -0.69 0.00 0.00 174.62 173.16 1uh6 s MET 28 N -3.83 3.82 0.02 4.92 0.00 -1.26 -1.30 119.30 121.66 1uh6 s MET 28 Ca 0.66 -0.42 0.00 0.00 0.00 0.00 0.00 55.69 55.94 1uh6 s MET 28 Cb -0.18 -3.08 -0.01 0.00 0.00 0.00 0.00 34.83 31.56 1uh6 s MET 28 CO 0.34 0.28 -0.03 0.96 0.00 0.00 0.00 175.02 176.57 1uh6 s ILE 29 N 0.31 0.17 -0.21 10.11 -4.36 -0.50 -4.98 121.20 121.75 1uh6 s ILE 29 Ca 0.00 -0.62 -0.11 0.00 -0.26 0.00 0.00 60.65 59.66 1uh6 s ILE 29 Cb -0.13 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.28 1uh6 s ILE 29 CO 0.01 -0.29 0.18 -0.70 0.24 0.00 0.00 174.94 174.38 1uh6 s GLU 30 N -0.96 4.16 0.27 0.37 2.12 -1.26 -2.60 118.70 120.80 1uh6 s GLU 30 Ca -0.09 -0.16 0.06 0.00 0.36 0.00 0.00 54.97 55.13 1uh6 s GLU 30 Cb -0.07 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1uh6 s GLU 30 CO -0.00 0.18 0.38 0.14 -0.54 0.00 0.00 175.26 175.42 1uh6 s VAL 31 N 0.69 4.80 -0.08 3.70 -7.23 -0.83 0.14 120.40 121.60 1uh6 s VAL 31 Ca 0.10 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1uh6 s VAL 31 Cb -0.12 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.15 1uh6 s VAL 31 CO 0.02 -0.27 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.71 1uh6 s VAL 32 N -2.06 1.29 -0.08 1.32 1.01 0.18 -2.40 120.40 119.66 1uh6 s VAL 32 Ca 0.37 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1uh6 s VAL 32 Cb -0.09 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1uh6 s VAL 32 CO 0.29 0.39 -0.18 0.00 0.00 0.00 0.00 175.10 175.61 1uh6 s ASN 34 N -0.13 5.48 0.95 0.00 0.01 -1.05 -1.68 114.94 118.52 1uh6 s ASN 34 Ca -0.03 -1.98 -0.14 0.00 -0.71 0.00 0.00 52.86 50.00 1uh6 s ASN 34 Cb -0.14 -1.92 0.21 0.00 0.41 0.00 0.00 41.25 39.81 1uh6 s ASN 34 CO 0.04 -0.62 1.30 1.51 -1.51 0.00 0.00 177.10 177.82 1uh6 s ASP 35 N 2.23 3.10 0.40 -1.22 1.47 -1.24 -2.80 116.67 118.62 1uh6 s ASP 35 Ca 0.07 0.10 0.09 0.00 1.18 0.00 0.00 52.55 53.99 1uh6 s ASP 35 Cb -0.24 -0.12 0.85 0.00 -0.34 0.00 0.00 42.92 43.06 1uh6 s ASP 35 CO -0.03 -2.72 1.98 0.03 0.68 0.00 0.00 175.17 175.11 1uh6 h ARG 36 N -1.56 0.31 0.00 2.11 2.47 -1.93 0.17 114.38 115.94 1uh6 h ARG 36 Ca -0.43 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1uh6 h ARG 36 Cb 1.23 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1uh6 h ARG 36 CO 0.34 0.34 0.00 -0.07 0.56 0.00 0.00 179.97 181.14 1uh6 h LEU 37 N 0.30 0.00 0.11 3.04 -0.00 -1.98 -3.45 115.31 113.34 1uh6 h LEU 37 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1uh6 h LEU 37 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 1uh6 h LEU 37 CO 0.00 0.00 -0.04 0.61 -0.00 0.00 0.00 178.44 179.01 1uh6 n GLY 38 N -0.91 0.57 3.81 0.83 0.00 0.05 -5.02 105.19 104.51 1uh6 n GLY 38 Ca -0.02 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1uh6 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uh6 s LYS 39 N -2.04 3.88 -0.31 1.61 -2.85 -1.26 -4.90 119.74 113.86 1uh6 s LYS 39 Ca 0.00 0.01 -0.26 0.00 -1.00 0.00 0.00 55.97 54.72 1uh6 s LYS 39 Cb 0.00 -3.30 0.01 0.00 -2.06 0.00 0.00 37.83 32.48 1uh6 s LYS 39 CO 0.00 0.54 0.93 0.15 0.10 0.00 0.00 175.35 177.07 1uh6 s LYS 40 N -0.40 4.01 -0.55 1.78 1.02 -1.26 -3.60 119.74 120.75 1uh6 s LYS 40 Ca 0.16 0.83 -0.12 0.00 0.02 0.00 0.00 55.97 56.86 1uh6 s LYS 40 Cb -0.13 -3.73 0.14 0.00 -0.52 0.00 0.00 37.83 33.59 1uh6 s LYS 40 CO 0.05 -0.78 0.46 0.08 -0.92 0.00 0.00 175.35 174.23 1uh6 s VAL 41 N 3.29 4.69 -0.34 3.17 1.01 -0.68 -4.92 120.40 126.62 1uh6 s VAL 41 Ca 0.39 -1.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 1uh6 s VAL 41 Cb -0.13 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1uh6 s VAL 41 CO 0.14 -0.85 0.78 -0.13 0.00 0.00 0.00 175.10 175.04 1uh6 s ARG 42 N 1.20 3.82 -0.02 2.72 3.00 -1.26 -2.62 118.95 125.80 1uh6 s ARG 42 Ca 0.07 0.39 0.07 0.00 0.00 0.00 0.00 55.73 56.26 1uh6 s ARG 42 Cb -0.25 -3.78 -0.02 0.00 0.00 0.00 0.00 34.95 30.89 1uh6 s ARG 42 CO -0.01 -0.79 -0.22 0.08 0.00 0.00 0.00 175.30 174.37 1uh6 s VAL 43 N 3.04 2.43 -0.07 3.52 1.01 -1.01 -4.96 120.40 124.37 1uh6 s VAL 43 Ca 0.31 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1uh6 s VAL 43 Cb -0.14 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1uh6 s VAL 43 CO 0.15 0.54 0.50 -1.59 0.00 0.00 0.00 175.10 174.69 1uh6 s LYS 44 N -0.80 4.26 0.29 2.72 -2.85 -1.26 -1.96 119.74 120.14 1uh6 s LYS 44 Ca 0.11 0.52 -0.11 0.00 -1.00 0.00 0.00 55.97 55.49 1uh6 s LYS 44 Cb -0.10 -3.37 0.01 0.00 -2.06 0.00 0.00 37.83 32.30 1uh6 s LYS 44 CO 0.00 0.31 0.53 0.00 0.10 0.00 0.00 175.35 176.29 1uh6 s ASN 46 N -3.07 4.21 0.51 0.00 -0.87 -1.26 -1.41 114.94 113.04 1uh6 s ASN 46 Ca 0.23 -0.78 0.28 0.00 -1.57 0.00 0.00 52.86 51.02 1uh6 s ASN 46 Cb -0.01 -0.65 1.33 0.00 -0.02 0.00 0.00 41.25 41.89 1uh6 s ASN 46 CO 0.12 0.02 2.00 0.71 -2.57 0.00 0.00 177.10 177.38 1uh6 h THR 47 N 2.02 0.48 0.00 1.60 1.35 -1.49 -1.60 112.91 115.27 1uh6 h THR 47 Ca -0.43 -0.69 -0.07 0.00 -0.55 0.00 0.00 66.41 64.67 1uh6 h THR 47 Cb 1.25 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1uh6 h THR 47 CO 0.60 0.13 -0.34 -0.78 -0.25 0.00 0.00 175.52 174.89 1uh6 h ASP 48 N 0.00 0.00 -3.41 5.36 1.82 -1.86 -3.28 116.42 115.05 1uh6 h ASP 48 Ca -0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1uh6 h ASP 48 Cb 0.46 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 1uh6 h ASP 48 CO 0.02 0.34 0.34 -1.81 -1.61 0.00 0.00 179.24 176.51 1uh6 s ASP 49 N -6.58 7.33 0.85 2.28 1.01 -0.60 -4.99 116.67 115.96 1uh6 s ASP 49 Ca -0.02 1.60 -0.13 0.00 0.71 0.00 0.00 52.55 54.72 1uh6 s ASP 49 Cb 0.13 -2.55 0.11 0.00 1.01 0.00 0.00 42.92 41.62 1uh6 s ASP 49 CO 0.68 -0.24 1.20 0.42 0.21 0.00 0.00 175.17 177.45 1uh6 s THR 50 N 0.97 2.00 0.27 -1.27 -4.23 -1.26 -3.91 115.64 108.21 1uh6 s THR 50 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1uh6 s THR 50 Cb -0.21 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 70.91 1uh6 s THR 50 CO 0.27 0.00 1.78 0.40 -0.54 0.00 0.00 174.62 176.53 1uh6 h ILE 51 N -1.22 0.78 0.63 2.99 1.08 -1.63 0.14 117.51 120.27 1uh6 h ILE 51 Ca -0.46 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1uh6 h ILE 51 Cb 1.31 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1uh6 h ILE 51 CO 0.60 0.13 -0.45 1.23 -0.69 0.00 0.00 178.15 178.97 1uh6 h GLY 52 N 0.73 -1.18 0.70 5.37 0.00 -1.83 0.47 103.07 107.32 1uh6 h GLY 52 Ca 0.48 0.51 0.13 0.00 0.00 0.00 0.00 47.33 48.45 1uh6 h GLY 52 CO -0.34 -0.39 0.53 -0.55 0.00 0.00 0.00 176.54 175.79 1uh6 h ASP 53 N -1.04 0.58 0.17 0.19 5.19 -1.73 -1.07 116.42 118.71 1uh6 h ASP 53 Ca -0.08 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1uh6 h ASP 53 Cb 0.86 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1uh6 h ASP 53 CO 0.03 0.32 -0.08 0.25 -3.12 0.00 0.00 179.24 176.64 1uh6 h LEU 54 N 0.63 -0.19 -0.90 1.55 7.12 -0.03 -2.73 115.31 120.75 1uh6 h LEU 54 Ca 0.39 0.01 0.28 0.00 0.13 0.00 0.00 57.88 58.69 1uh6 h LEU 54 Cb 0.64 0.05 -0.17 0.00 -0.53 0.00 0.00 40.66 40.65 1uh6 h LEU 54 CO -0.16 -0.11 0.12 0.29 -0.13 0.00 0.00 178.44 178.45 1uh6 n LYS 55 N -2.73 -0.07 -0.09 1.25 5.02 0.16 0.18 118.16 121.88 1uh6 n LYS 55 Ca -0.03 1.33 -0.08 0.00 -2.02 0.00 0.00 58.31 57.51 1uh6 n LYS 55 Cb 0.09 -2.17 -0.01 0.00 -0.02 0.00 0.00 35.03 32.91 1uh6 n LYS 55 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1uh6 h LYS 56 N 0.00 -0.24 -0.03 1.97 1.57 -1.10 0.43 116.57 119.17 1uh6 h LYS 56 Ca 0.60 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.42 1uh6 h LYS 56 Cb 1.33 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1uh6 h LYS 56 CO -0.81 -0.16 -0.51 -0.07 -0.57 0.00 0.00 179.45 177.32 1uh6 h LEU 57 N -0.25 -1.59 -0.47 2.94 3.38 0.23 0.70 115.31 120.24 1uh6 h LEU 57 Ca 0.16 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.36 1uh6 h LEU 57 Cb 0.51 0.61 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1uh6 h LEU 57 CO -0.49 -0.49 -0.39 0.40 0.09 0.00 0.00 178.44 177.57 1uh6 h ILE 58 N -0.62 0.00 -0.82 1.22 2.04 -0.83 1.71 117.51 120.21 1uh6 h ILE 58 Ca 0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.10 1uh6 h ILE 58 Cb 0.67 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1uh6 h ILE 58 CO -0.36 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.37 1uh6 h ALA 59 N -0.22 2.58 -0.10 1.87 0.00 -0.39 0.93 119.26 123.93 1uh6 h ALA 59 Ca 0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1uh6 h ALA 59 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uh6 h ALA 59 CO -0.52 -0.83 -0.69 0.00 0.00 0.00 0.00 179.25 177.22 1uh6 h ALA 60 N 1.61 0.63 -1.32 0.00 0.00 0.81 0.66 119.26 121.65 1uh6 h ALA 60 Ca 0.40 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1uh6 h ALA 60 Cb 1.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1uh6 h ALA 60 CO -0.06 0.74 0.00 1.04 0.00 0.00 0.00 179.25 180.98 1uh6 n GLN 61 N -3.86 0.00 -0.30 0.00 1.13 0.47 -4.10 117.38 110.72 1uh6 n GLN 61 Ca -0.04 0.28 0.18 0.00 -1.94 0.00 0.00 57.00 55.48 1uh6 n GLN 61 Cb 0.68 -0.84 0.44 0.00 0.11 0.00 0.00 30.24 30.63 1uh6 n GLN 61 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1uh6 h THR 62 N 0.00 0.66 0.00 5.09 1.35 -0.53 -3.45 112.91 116.03 1uh6 h THR 62 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1uh6 h THR 62 Cb 0.00 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1uh6 h THR 62 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1uh6 n GLY 63 N -1.44 0.97 3.48 5.82 0.00 0.08 -5.05 105.19 109.04 1uh6 n GLY 63 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1uh6 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uh6 n THR 64 N -0.66 0.00 -4.10 2.61 -2.24 -0.35 -4.84 114.28 104.70 1uh6 n THR 64 Ca 0.00 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 1uh6 n THR 64 Cb 0.00 -1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 66.96 1uh6 n THR 64 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uh6 s ARG 65 N -5.43 3.30 0.59 -0.78 3.00 -1.26 -4.09 118.95 114.27 1uh6 s ARG 65 Ca 0.71 -0.27 0.32 0.00 0.00 0.00 0.00 55.73 56.50 1uh6 s ARG 65 Cb -0.08 -3.03 1.85 0.00 0.00 0.00 0.00 34.95 33.70 1uh6 s ARG 65 CO 0.55 0.70 2.23 0.11 0.00 0.00 0.00 175.30 178.89 1uh6 h TRP 66 N 5.21 0.00 0.00 -0.53 5.08 -1.86 0.56 115.95 124.41 1uh6 h TRP 66 Ca -0.52 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.45 1uh6 h TRP 66 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1uh6 h TRP 66 CO 0.69 0.03 -0.21 -2.95 -1.28 0.00 0.00 178.44 174.71 1uh6 h ASN 67 N 0.00 0.00 -0.67 0.11 7.08 -1.95 -3.20 115.58 116.96 1uh6 h ASN 67 Ca -0.00 -0.07 -0.44 0.00 -3.08 0.00 0.00 56.30 52.71 1uh6 h ASN 67 Cb 0.10 0.00 -0.27 0.00 -2.08 0.00 0.00 38.32 36.07 1uh6 h ASN 67 CO 0.00 0.04 -0.08 0.29 -2.08 0.00 0.00 177.43 175.60 1uh6 n LYS 68 N -2.25 2.66 -3.89 4.14 4.76 0.19 -4.64 118.16 119.13 1uh6 n LYS 68 Ca 0.05 -3.55 -0.19 0.00 -2.87 0.00 0.00 58.31 51.75 1uh6 n LYS 68 Cb 0.44 -2.10 -0.17 0.00 -1.84 0.00 0.00 35.03 31.36 1uh6 n LYS 68 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1uh6 s ILE 69 N -4.09 0.21 -0.11 -0.18 1.01 -1.03 -3.44 121.20 113.56 1uh6 s ILE 69 Ca 0.52 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1uh6 s ILE 69 Cb 0.44 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.59 1uh6 s ILE 69 CO 0.01 0.18 -0.12 -0.69 0.00 0.00 0.00 174.94 174.32 1uh6 s VAL 70 N 1.32 1.33 -0.34 2.92 1.01 0.24 -4.91 120.40 121.97 1uh6 s VAL 70 Ca -0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1uh6 s VAL 70 Cb -0.13 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1uh6 s VAL 70 CO -0.02 0.41 0.22 -0.76 0.00 0.00 0.00 175.10 174.95 1uh6 s LEU 71 N 1.26 4.48 0.12 3.92 1.43 -1.26 -1.38 118.68 127.25 1uh6 s LEU 71 Ca -0.02 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1uh6 s LEU 71 Cb -0.14 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1uh6 s LEU 71 CO -0.05 -0.25 -0.22 -0.54 0.23 0.00 0.00 176.35 175.52 1uh6 s LYS 72 N 1.69 1.22 -0.36 1.70 1.02 -0.71 -2.35 119.74 121.94 1uh6 s LYS 72 Ca 0.05 -1.25 0.02 0.00 0.02 0.00 0.00 55.97 54.82 1uh6 s LYS 72 Cb -0.18 -1.51 0.11 0.00 -0.52 0.00 0.00 37.83 35.73 1uh6 s LYS 72 CO 0.09 0.35 0.11 0.21 -0.92 0.00 0.00 175.35 175.19 1uh6 s LYS 73 N -2.09 1.28 0.00 1.68 2.47 0.40 -1.00 119.74 122.49 1uh6 s LYS 73 Ca 0.10 -1.74 0.00 0.00 -1.56 0.00 0.00 55.97 52.77 1uh6 s LYS 73 Cb -0.09 -2.75 0.00 0.00 -1.46 0.00 0.00 37.83 33.53 1uh6 s LYS 73 CO 0.05 -1.00 0.00 0.91 0.16 0.00 0.00 175.35 175.47 1uh6 n TRP 74 N 4.21 0.00 0.00 4.03 7.02 -1.26 -1.81 117.44 129.63 1uh6 n TRP 74 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1uh6 n TRP 74 Cb 0.40 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1uh6 n TRP 74 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 1uh6 n TYR 75 N 0.00 0.00 -1.92 -5.99 9.36 -1.26 -5.08 117.16 112.27 1uh6 n TYR 75 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1uh6 n TYR 75 Cb 0.00 0.11 0.04 0.00 -0.63 0.00 0.00 39.34 38.86 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1uh6 s THR 76 N -1.63 2.41 0.08 2.97 2.01 -0.75 -5.02 115.64 115.71 1uh6 s THR 76 Ca 0.00 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1uh6 s THR 76 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1uh6 s THR 76 CO 0.00 -0.04 0.01 -0.63 -0.69 0.00 0.00 174.62 173.27 1uh6 s ILE 77 N -1.48 4.10 -0.20 1.82 1.09 -1.26 -0.45 121.20 124.82 1uh6 s ILE 77 Ca 0.77 -0.93 -0.16 0.00 -1.10 0.00 0.00 60.65 59.22 1uh6 s ILE 77 Cb -0.34 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 1uh6 s ILE 77 CO 0.37 0.13 0.43 -0.36 -0.10 0.00 0.00 174.94 175.41 1uh6 s PHE 78 N -1.31 3.37 1.08 3.97 0.40 -0.99 -4.95 117.98 119.56 1uh6 s PHE 78 Ca 0.26 0.65 -0.18 0.00 -0.60 0.00 0.00 56.93 57.06 1uh6 s PHE 78 Cb -0.12 -2.56 0.25 0.00 0.51 0.00 0.00 43.02 41.11 1uh6 s PHE 78 CO 0.18 -0.03 1.28 0.15 0.70 0.00 0.00 175.22 177.50 1uh6 s LYS 79 N 1.38 -0.30 -0.22 0.44 -0.14 -1.26 -4.84 119.74 114.81 1uh6 s LYS 79 Ca 0.20 -0.42 0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1uh6 s LYS 79 Cb -0.15 -1.74 -0.20 0.00 -1.68 0.00 0.00 37.83 34.06 1uh6 s LYS 79 CO 0.08 -3.04 -0.05 -0.40 -0.76 0.00 0.00 175.35 171.19 1uh6 n ASP 80 N -4.21 1.83 0.00 2.83 5.68 -1.26 -4.09 116.55 117.34 1uh6 n ASP 80 Ca 0.16 -0.04 0.08 0.00 -0.50 0.00 0.00 54.79 54.50 1uh6 n ASP 80 Cb 0.59 -0.40 0.37 0.00 -1.14 0.00 0.00 41.12 40.55 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uh6 n HIS 81 N -3.27 0.00 -3.48 2.11 1.44 -1.26 -3.66 115.22 107.10 1uh6 n HIS 81 Ca -0.41 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 54.87 1uh6 n HIS 81 Cb 1.02 -0.44 -0.09 0.00 0.12 0.00 0.00 29.99 30.60 1uh6 n HIS 81 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1uh6 s VAL 82 N -2.87 4.95 0.17 0.61 1.01 -1.26 -4.99 120.40 118.01 1uh6 s VAL 82 Ca 0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1uh6 s VAL 82 Cb 0.11 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1uh6 s VAL 82 CO 0.29 -0.43 0.23 -1.54 0.00 0.00 0.00 175.10 173.64 1uh6 n SER 83 N 5.11 0.10 0.14 3.32 3.41 -1.26 -3.50 113.62 120.93 1uh6 n SER 83 Ca -0.12 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.35 1uh6 n SER 83 Cb 0.45 -0.17 0.17 0.00 -0.26 0.00 0.00 64.21 64.40 1uh6 n SER 83 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1uh6 h LEU 84 N 0.00 0.01 -1.65 1.04 -0.00 -1.68 -2.58 115.31 110.46 1uh6 h LEU 84 Ca -0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1uh6 h LEU 84 Cb 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1uh6 h LEU 84 CO 0.06 0.62 0.00 1.23 -0.00 0.00 0.00 178.44 180.35 1uh6 h GLY 85 N 1.82 0.00 0.58 0.83 0.00 -1.88 1.52 103.07 105.94 1uh6 h GLY 85 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1uh6 h GLY 85 CO 0.08 0.00 -1.97 1.22 0.00 0.00 0.00 176.54 175.87 1uh6 n ASP 86 N -2.56 2.12 -0.36 0.19 9.92 -0.98 -4.03 116.55 120.85 1uh6 n ASP 86 Ca -0.01 0.22 0.13 0.00 -0.53 0.00 0.00 54.79 54.61 1uh6 n ASP 86 Cb 0.12 -0.87 0.44 0.00 -0.64 0.00 0.00 41.12 40.17 1uh6 n ASP 86 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1uh6 n TYR 87 N -3.53 0.00 -3.23 1.24 4.01 -0.74 -4.92 117.16 109.99 1uh6 n TYR 87 Ca -0.32 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.22 1uh6 n TYR 87 Cb 1.03 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.98 1uh6 n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1uh6 n GLU 88 N -0.26 -2.80 -1.40 -0.72 1.02 0.51 -4.80 120.64 112.20 1uh6 n GLU 88 Ca 0.15 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 57.23 1uh6 n GLU 88 Cb 0.35 -4.98 0.01 0.00 -0.02 0.00 0.00 31.44 26.80 1uh6 n GLU 88 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1uh6 n ILE 89 N -3.59 1.38 -3.84 -3.67 5.41 -1.07 -4.94 119.36 109.03 1uh6 n ILE 89 Ca -0.01 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.91 1uh6 n ILE 89 Cb 0.53 -0.36 -0.05 0.00 -0.71 0.00 0.00 39.64 39.06 1uh6 n ILE 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1uh6 s HIS 90 N -1.59 3.54 -0.76 1.39 3.76 -1.26 -4.99 115.29 115.38 1uh6 s HIS 90 Ca 0.62 0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 55.69 1uh6 s HIS 90 Cb -0.59 -1.88 -0.11 0.00 1.11 0.00 0.00 32.58 31.11 1uh6 s HIS 90 CO 0.60 0.60 2.32 0.34 -0.85 0.00 0.00 174.74 177.74 1uh6 s ASP 91 N -2.05 4.20 0.00 1.40 2.15 -1.26 -1.48 116.67 119.64 1uh6 s ASP 91 Ca 0.31 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1uh6 s ASP 91 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1uh6 s ASP 91 CO 0.21 -3.52 0.00 0.61 -0.17 0.00 0.00 175.17 172.29 1uh6 n GLY 92 N 6.68 1.28 3.72 2.66 0.00 0.38 -4.77 105.19 115.15 1uh6 n GLY 92 Ca 0.44 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 1uh6 n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uh6 s MET 93 N -0.00 4.38 -0.14 1.61 1.75 -0.55 -4.83 119.30 121.53 1uh6 s MET 93 Ca 0.00 0.66 -0.20 0.00 -1.25 0.00 0.00 55.69 54.90 1uh6 s MET 93 Cb 0.00 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 1uh6 s MET 93 CO 0.00 0.13 0.59 -0.80 -0.65 0.00 0.00 175.02 174.29 1uh6 s ASN 94 N 0.65 6.76 0.29 1.11 0.01 -1.26 -0.65 114.94 121.85 1uh6 s ASN 94 Ca 0.31 0.91 0.05 0.00 -0.71 0.00 0.00 52.86 53.43 1uh6 s ASN 94 Cb -0.16 -2.34 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 1uh6 s ASN 94 CO 0.14 -0.13 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.83 1uh6 s LEU 95 N 1.16 2.38 -0.45 0.60 1.43 -0.25 -4.99 118.68 118.56 1uh6 s LEU 95 Ca 0.30 -1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 51.93 1uh6 s LEU 95 Cb -0.16 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1uh6 s LEU 95 CO 0.12 -0.45 0.67 -1.61 0.23 0.00 0.00 176.35 175.31 1uh6 s GLU 96 N -3.79 3.29 -0.18 1.70 2.02 -0.17 -2.52 118.70 119.04 1uh6 s GLU 96 Ca 0.32 -0.35 -0.17 0.00 0.02 0.00 0.00 54.97 54.78 1uh6 s GLU 96 Cb 0.06 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 1uh6 s GLU 96 CO 0.13 -1.05 0.45 -1.17 0.02 0.00 0.00 175.26 173.64 1uh6 s LEU 97 N 2.91 4.18 0.07 1.80 2.96 -1.12 -1.73 118.68 127.73 1uh6 s LEU 97 Ca 0.24 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1uh6 s LEU 97 Cb -0.14 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 1uh6 s LEU 97 CO 0.19 -0.09 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.75 1uh6 s TYR 98 N 1.24 0.79 -0.09 5.38 2.02 -0.48 -4.43 117.35 121.79 1uh6 s TYR 98 Ca 0.22 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1uh6 s TYR 98 Cb -0.15 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1uh6 s TYR 98 CO 0.09 -0.10 -0.09 0.71 -1.57 0.00 0.00 175.55 174.59 1uh6 s TYR 99 N -2.22 2.89 -2.00 2.71 2.02 -1.26 0.80 117.35 120.30 1uh6 s TYR 99 Ca -0.01 -0.15 0.18 0.00 -0.37 0.00 0.00 57.07 56.72 1uh6 s TYR 99 Cb -0.04 -1.75 1.10 0.00 -0.40 0.00 0.00 41.96 40.86 1uh6 s TYR 99 CO -0.01 0.17 1.49 1.04 -1.57 0.00 0.00 175.55 176.67