#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 3.45 0.00 0.03 3.01 -1.26 -4.55 119.74 120.42 1uh6 s LYS 2 Ca 0.00 -1.68 0.00 0.00 -1.01 0.00 0.00 55.97 53.28 1uh6 s LYS 2 Cb 0.00 -5.43 0.00 0.00 -1.01 0.00 0.00 37.83 31.39 1uh6 s LYS 2 CO 0.00 -2.87 0.00 0.41 0.51 0.00 0.00 175.35 173.40 1uh6 n GLY 3 N 5.59 -0.40 3.61 -3.33 0.00 -1.26 -5.17 105.19 104.23 1uh6 n GLY 3 Ca 0.47 0.28 -0.00 0.00 0.00 0.00 0.00 46.02 46.77 1uh6 n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uh6 s SER 4 N -4.00 -0.06 -0.07 1.61 1.04 -1.26 -5.18 113.70 105.77 1uh6 s SER 4 Ca 0.00 -0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 1uh6 s SER 4 Cb 0.00 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.28 1uh6 s SER 4 CO 0.00 -0.20 0.53 -0.55 0.98 0.00 0.00 173.24 174.01 1uh6 s SER 5 N -2.64 -0.49 0.09 7.02 0.15 -1.26 -5.14 113.70 111.43 1uh6 s SER 5 Ca 0.13 0.59 -0.26 0.00 0.70 0.00 0.00 55.95 57.11 1uh6 s SER 5 Cb 0.03 0.59 0.08 0.00 -1.71 0.00 0.00 66.02 65.01 1uh6 s SER 5 CO -0.04 -0.47 0.77 -2.28 1.20 0.00 0.00 173.24 172.42 1uh6 s HIS 6 N -0.94 -0.39 0.52 3.44 2.46 -1.26 -5.10 115.29 114.02 1uh6 s HIS 6 Ca -0.10 0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.63 1uh6 s HIS 6 Cb -0.03 0.56 0.00 0.00 -0.13 0.00 0.00 32.58 32.99 1uh6 s HIS 6 CO 0.06 -0.73 0.00 1.58 -2.47 0.00 0.00 174.74 173.19 1uh6 n HIS 7 N -0.33 -3.90 -2.77 3.88 -0.00 -1.26 -4.95 115.22 105.89 1uh6 n HIS 7 Ca -0.11 2.11 -0.01 0.00 -0.00 0.00 0.00 57.72 59.70 1uh6 n HIS 7 Cb 0.63 -3.30 -0.01 0.00 -0.00 0.00 0.00 29.99 27.31 1uh6 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1uh6 n HIS 8 N -2.08 -3.54 -1.69 1.57 -0.00 -1.26 -4.80 115.22 103.42 1uh6 n HIS 8 Ca 0.00 1.67 0.00 0.00 -0.00 0.00 0.00 57.72 59.39 1uh6 n HIS 8 Cb 0.32 -3.59 0.00 0.00 -0.00 0.00 0.00 29.99 26.72 1uh6 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1uh6 n HIS 9 N 0.98 -3.68 -3.13 1.57 -0.00 -1.26 -5.07 115.22 104.64 1uh6 n HIS 9 Ca -0.07 2.22 0.04 0.00 -0.00 0.00 0.00 57.72 59.91 1uh6 n HIS 9 Cb 0.16 -3.27 -0.00 0.00 -0.00 0.00 0.00 29.99 26.88 1uh6 n HIS 9 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1uh6 s HIS 10 N -0.39 -1.40 -0.09 4.41 -0.00 -1.26 -4.83 115.29 111.73 1uh6 s HIS 10 Ca 0.00 0.69 -0.07 0.00 -0.00 0.00 0.00 55.06 55.68 1uh6 s HIS 10 Cb 0.00 0.24 -0.06 0.00 -0.00 0.00 0.00 32.58 32.77 1uh6 s HIS 10 CO 0.00 -0.84 0.26 0.45 -0.00 0.00 0.00 174.74 174.61 1uh6 h HIS 11 N 7.49 -0.10 -5.72 0.38 3.86 -2.01 -3.50 115.15 115.55 1uh6 h HIS 11 Ca -0.02 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1uh6 h HIS 11 Cb 1.19 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1uh6 h HIS 11 CO 0.12 0.07 -0.99 0.43 0.86 0.00 0.00 177.93 178.42 1uh6 n SER 12 N -4.83 -7.34 -2.61 2.45 7.64 -1.26 -4.45 113.62 103.22 1uh6 n SER 12 Ca -0.03 0.92 -0.06 0.00 1.01 0.00 0.00 58.87 60.71 1uh6 n SER 12 Cb 0.11 -3.60 0.01 0.00 -1.01 0.00 0.00 64.21 59.72 1uh6 n SER 12 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uh6 n SER 13 N 0.92 -6.86 -4.75 6.43 7.64 -1.26 -5.05 113.62 110.69 1uh6 n SER 13 Ca 0.00 0.42 -0.23 0.00 1.01 0.00 0.00 58.87 60.07 1uh6 n SER 13 Cb 0.25 -4.59 -0.06 0.00 -1.01 0.00 0.00 64.21 58.80 1uh6 n SER 13 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uh6 s GLY 14 N -2.33 1.99 0.18 0.23 0.00 -1.26 -5.03 107.32 101.10 1uh6 s GLY 14 Ca 0.20 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1uh6 s GLY 14 CO 0.63 -1.76 0.00 0.00 0.00 0.00 0.00 173.10 171.96 1uh6 n ALA 15 N -1.19 0.30 -1.52 3.20 0.00 -1.26 -5.16 120.51 114.89 1uh6 n ALA 15 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1uh6 n ALA 15 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1uh6 n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uh6 n SER 16 N -2.87 -6.81 -4.74 0.00 7.64 -1.26 -5.06 113.62 100.53 1uh6 n SER 16 Ca 0.00 0.94 -0.26 0.00 1.01 0.00 0.00 58.87 60.55 1uh6 n SER 16 Cb 0.00 -3.66 -0.07 0.00 -1.01 0.00 0.00 64.21 59.47 1uh6 n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uh6 s LEU 17 N -0.59 2.96 -0.40 -3.43 2.01 -1.26 -5.11 118.68 112.86 1uh6 s LEU 17 Ca 0.00 -1.20 -0.06 0.00 0.01 0.00 0.00 54.13 52.88 1uh6 s LEU 17 Cb 0.00 -1.26 0.09 0.00 0.01 0.00 0.00 46.19 45.02 1uh6 s LEU 17 CO 0.00 -0.62 0.20 0.54 1.01 0.00 0.00 176.35 177.48 1uh6 s VAL 18 N -2.66 3.71 -0.42 -1.59 0.11 -1.26 -5.05 120.40 113.24 1uh6 s VAL 18 Ca 0.36 -1.62 -0.29 0.00 -2.93 0.00 0.00 61.98 57.50 1uh6 s VAL 18 Cb 0.04 -3.34 0.01 0.00 -1.53 0.00 0.00 36.38 31.56 1uh6 s VAL 18 CO 0.20 -0.51 1.41 -2.16 -3.33 0.00 0.00 175.10 170.71 1uh6 s PRO 19 N 1.30 3.56 0.28 1.54 0.04 -1.26 -4.99 135.00 135.47 1uh6 s PRO 19 Ca 0.03 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.71 1uh6 s PRO 19 Cb -0.22 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.19 1uh6 s PRO 19 CO -0.01 -1.58 0.95 1.03 0.04 0.00 0.00 177.00 177.43 1uh6 s ARG 20 N 4.96 4.71 0.00 4.56 0.52 -1.26 -4.94 118.95 127.50 1uh6 s ARG 20 Ca 0.61 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 1uh6 s ARG 20 Cb -0.13 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1uh6 s ARG 20 CO 0.33 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.44 1uh6 n GLY 21 N 1.02 0.60 2.77 -3.53 0.00 -1.26 -5.13 105.19 99.66 1uh6 n GLY 21 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uh6 n SER 22 N 2.91 -3.23 -2.13 1.61 2.88 -1.26 -4.89 113.62 109.51 1uh6 n SER 22 Ca 0.00 1.21 -0.28 0.00 -1.33 0.00 0.00 58.87 58.47 1uh6 n SER 22 Cb 0.00 -4.08 0.08 0.00 -0.75 0.00 0.00 64.21 59.46 1uh6 n SER 22 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1uh6 n GLU 23 N 1.87 2.90 0.00 -1.46 0.28 -1.26 -4.86 120.64 118.11 1uh6 n GLU 23 Ca -0.26 -3.55 0.00 0.00 -0.16 0.00 0.00 57.16 53.19 1uh6 n GLU 23 Cb 0.42 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 31.05 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uh6 n GLY 24 N -0.88 -1.88 3.19 -1.84 0.00 -1.26 -5.14 105.19 97.38 1uh6 n GLY 24 Ca 0.54 0.66 -0.19 0.00 0.00 0.00 0.00 46.02 47.04 1uh6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 s ALA 25 N -1.00 1.27 -0.50 4.61 0.00 -1.26 -5.09 121.76 119.79 1uh6 s ALA 25 Ca 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1uh6 s ALA 25 Cb 0.00 -0.11 0.20 0.00 0.00 0.00 0.00 23.12 23.21 1uh6 s ALA 25 CO 0.00 0.18 0.73 0.00 0.00 0.00 0.00 175.76 176.66 1uh6 n ALA 26 N 1.17 -1.24 -1.84 0.00 0.00 -1.26 -4.50 120.51 112.84 1uh6 n ALA 26 Ca -0.20 -1.37 -0.32 0.00 0.00 0.00 0.00 53.44 51.55 1uh6 n ALA 26 Cb 0.54 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1uh6 n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uh6 s THR 27 N 0.69 4.50 -0.11 0.00 2.01 -1.26 -4.76 115.64 116.72 1uh6 s THR 27 Ca 0.31 1.27 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 1uh6 s THR 27 Cb 0.06 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1uh6 s THR 27 CO -0.11 -0.60 0.24 -0.04 -0.69 0.00 0.00 174.62 173.42 1uh6 s MET 28 N -3.86 3.83 0.08 4.92 -1.94 -1.26 -0.37 119.30 120.69 1uh6 s MET 28 Ca 0.59 0.05 -0.08 0.00 -1.71 0.00 0.00 55.69 54.55 1uh6 s MET 28 Cb -0.10 -3.28 -0.00 0.00 2.01 0.00 0.00 34.83 33.46 1uh6 s MET 28 CO 0.27 0.58 0.17 0.96 -0.01 0.00 0.00 175.02 176.99 1uh6 s ILE 29 N -0.55 0.14 -0.09 2.53 -4.36 0.34 -4.96 121.20 114.25 1uh6 s ILE 29 Ca 0.17 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1uh6 s ILE 29 Cb -0.13 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.29 1uh6 s ILE 29 CO 0.06 -0.66 -0.16 -0.70 0.24 0.00 0.00 174.94 173.71 1uh6 s GLU 30 N -3.69 2.26 0.49 0.37 2.12 -1.26 -0.12 118.70 118.87 1uh6 s GLU 30 Ca 0.04 -0.59 0.07 0.00 0.36 0.00 0.00 54.97 54.84 1uh6 s GLU 30 Cb 0.04 -1.84 0.02 0.00 0.26 0.00 0.00 34.13 32.61 1uh6 s GLU 30 CO -0.10 0.02 0.45 0.14 -0.54 0.00 0.00 175.26 175.23 1uh6 s VAL 31 N 0.73 2.17 -0.04 3.70 -7.23 -0.99 0.99 120.40 119.71 1uh6 s VAL 31 Ca -0.12 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1uh6 s VAL 31 Cb -0.16 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.25 1uh6 s VAL 31 CO 0.03 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.97 1uh6 s VAL 32 N -2.63 1.30 -0.24 1.32 1.01 0.49 -2.37 120.40 119.29 1uh6 s VAL 32 Ca 0.44 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1uh6 s VAL 32 Cb -0.03 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1uh6 s VAL 32 CO 0.27 0.38 -0.03 0.00 0.00 0.00 0.00 175.10 175.71 1uh6 s ASN 34 N 1.43 6.21 0.85 0.00 0.01 -1.08 -2.13 114.94 120.23 1uh6 s ASN 34 Ca 0.04 -1.03 -0.08 0.00 -0.71 0.00 0.00 52.86 51.08 1uh6 s ASN 34 Cb -0.15 -2.34 0.18 0.00 0.41 0.00 0.00 41.25 39.34 1uh6 s ASN 34 CO -0.03 -1.12 1.17 1.51 -1.51 0.00 0.00 177.10 177.11 1uh6 s ASP 35 N 3.22 3.64 0.45 -1.22 1.47 -1.23 -2.10 116.67 120.89 1uh6 s ASP 35 Ca 0.17 -0.16 0.24 0.00 1.18 0.00 0.00 52.55 53.98 1uh6 s ASP 35 Cb -0.19 0.01 1.01 0.00 -0.34 0.00 0.00 42.92 43.40 1uh6 s ASP 35 CO 0.11 -2.36 1.87 0.03 0.68 0.00 0.00 175.17 175.50 1uh6 h ARG 36 N -1.10 0.00 0.00 2.11 2.47 -1.92 -2.15 114.38 113.80 1uh6 h ARG 36 Ca -0.39 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1uh6 h ARG 36 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1uh6 h ARG 36 CO 0.36 0.23 -0.00 -0.07 0.56 0.00 0.00 179.97 181.05 1uh6 h LEU 37 N 0.00 0.00 0.00 3.04 -0.00 -1.98 -3.45 115.31 112.93 1uh6 h LEU 37 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1uh6 h LEU 37 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1uh6 h LEU 37 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.08 1uh6 n GLY 38 N -0.86 0.72 3.88 0.83 0.00 -0.81 -5.03 105.19 103.93 1uh6 n GLY 38 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.20 3.64 -0.09 1.61 -2.85 -1.26 -4.93 119.74 115.66 1uh6 s LYS 39 Ca 0.00 -0.00 -0.21 0.00 -1.00 0.00 0.00 55.97 54.75 1uh6 s LYS 39 Cb 0.00 -3.03 -0.04 0.00 -2.06 0.00 0.00 37.83 32.70 1uh6 s LYS 39 CO 0.00 0.60 0.60 0.15 0.10 0.00 0.00 175.35 176.81 1uh6 s LYS 40 N -1.90 4.39 -0.33 1.78 1.02 -1.26 -3.54 119.74 119.90 1uh6 s LYS 40 Ca 0.31 0.70 0.01 0.00 0.02 0.00 0.00 55.97 57.00 1uh6 s LYS 40 Cb -0.13 -3.44 0.08 0.00 -0.52 0.00 0.00 37.83 33.82 1uh6 s LYS 40 CO 0.18 0.11 0.05 0.08 -0.92 0.00 0.00 175.35 174.84 1uh6 s VAL 41 N 0.70 2.71 -0.03 3.17 1.01 -0.90 -4.93 120.40 122.11 1uh6 s VAL 41 Ca 0.33 -1.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 1uh6 s VAL 41 Cb -0.17 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1uh6 s VAL 41 CO 0.15 -0.38 0.61 -0.13 0.00 0.00 0.00 175.10 175.34 1uh6 s ARG 42 N 1.09 4.36 -0.01 2.72 0.52 -1.26 -1.33 118.95 125.04 1uh6 s ARG 42 Ca 0.02 0.74 0.02 0.00 -0.52 0.00 0.00 55.73 55.99 1uh6 s ARG 42 Cb -0.20 -3.38 -0.00 0.00 0.52 0.00 0.00 34.95 31.88 1uh6 s ARG 42 CO -0.05 0.27 -0.06 0.08 0.02 0.00 0.00 175.30 175.56 1uh6 s VAL 43 N 0.16 0.45 0.18 3.52 1.01 -1.00 -5.00 120.40 119.73 1uh6 s VAL 43 Ca 0.32 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1uh6 s VAL 43 Cb -0.18 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 1uh6 s VAL 43 CO 0.17 0.13 0.85 -0.54 0.00 0.00 0.00 175.10 175.71 1uh6 s LYS 44 N -0.09 4.68 0.28 2.72 1.02 -1.26 -2.36 119.74 124.73 1uh6 s LYS 44 Ca 0.02 1.30 -0.07 0.00 0.02 0.00 0.00 55.97 57.23 1uh6 s LYS 44 Cb -0.03 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1uh6 s LYS 44 CO -0.00 0.50 0.43 0.00 -0.92 0.00 0.00 175.35 175.35 1uh6 s ASN 46 N -3.12 2.70 0.55 0.00 2.20 -1.26 -0.50 114.94 115.51 1uh6 s ASN 46 Ca 0.28 -0.63 0.25 0.00 -0.94 0.00 0.00 52.86 51.81 1uh6 s ASN 46 Cb 0.01 -0.19 1.57 0.00 -2.00 0.00 0.00 41.25 40.64 1uh6 s ASN 46 CO 0.13 0.13 2.18 0.71 -2.94 0.00 0.00 177.10 177.32 1uh6 h THR 47 N 4.15 0.70 0.00 0.54 1.35 -1.01 0.10 112.91 118.75 1uh6 h THR 47 Ca -0.46 -0.12 -0.09 0.00 -0.55 0.00 0.00 66.41 65.18 1uh6 h THR 47 Cb 1.17 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1uh6 h THR 47 CO 0.41 0.03 -0.45 -0.78 -0.25 0.00 0.00 175.52 174.48 1uh6 h ASP 48 N 0.00 0.00 -4.04 5.36 3.58 -1.79 -3.30 116.42 116.23 1uh6 h ASP 48 Ca -0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.00 1uh6 h ASP 48 Cb 0.07 0.00 0.15 0.00 1.72 0.00 0.00 39.33 41.28 1uh6 h ASP 48 CO 0.00 0.45 0.33 -1.81 -2.88 0.00 0.00 179.24 175.34 1uh6 s ASP 49 N -6.61 2.92 0.21 2.28 1.11 0.35 -4.95 116.67 111.98 1uh6 s ASP 49 Ca -0.01 0.57 0.06 0.00 0.18 0.00 0.00 52.55 53.36 1uh6 s ASP 49 Cb 0.12 -0.83 -0.05 0.00 1.07 0.00 0.00 42.92 43.23 1uh6 s ASP 49 CO 0.71 -2.88 -0.11 0.42 1.18 0.00 0.00 175.17 174.50 1uh6 s THR 50 N -3.52 1.54 0.32 -1.27 -4.23 -1.26 -3.34 115.64 103.87 1uh6 s THR 50 Ca 0.69 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1uh6 s THR 50 Cb -0.08 -2.11 0.37 0.00 1.34 0.00 0.00 72.50 72.01 1uh6 s THR 50 CO 0.53 -0.54 1.60 0.40 -0.54 0.00 0.00 174.62 176.07 1uh6 h ILE 51 N 2.54 0.12 -0.77 2.99 1.08 -1.77 1.30 117.51 123.00 1uh6 h ILE 51 Ca -0.38 -0.03 0.13 0.00 -0.39 0.00 0.00 64.86 64.19 1uh6 h ILE 51 Cb 1.22 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.91 1uh6 h ILE 51 CO 0.63 0.01 0.35 1.23 -0.69 0.00 0.00 178.15 179.69 1uh6 h GLY 52 N 0.08 1.18 2.00 5.37 0.00 -1.81 0.47 103.07 110.36 1uh6 h GLY 52 Ca 0.65 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 1uh6 h GLY 52 CO -0.80 -0.03 -0.38 -0.55 0.00 0.00 0.00 176.54 174.78 1uh6 h ASP 53 N 0.54 0.00 0.05 0.19 3.32 0.13 -2.62 116.42 118.03 1uh6 h ASP 53 Ca 0.41 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 1uh6 h ASP 53 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1uh6 h ASP 53 CO -0.35 0.38 -0.02 0.25 -1.72 0.00 0.00 179.24 177.78 1uh6 h LEU 54 N 0.00 -0.05 -0.70 1.55 5.85 0.12 -2.67 115.31 119.41 1uh6 h LEU 54 Ca -0.00 -0.47 0.14 0.00 0.84 0.00 0.00 57.88 58.39 1uh6 h LEU 54 Cb 0.75 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1uh6 h LEU 54 CO 0.05 0.46 0.17 0.11 -0.34 0.00 0.00 178.44 178.89 1uh6 h LYS 55 N -0.58 0.28 -0.22 1.25 1.57 -0.26 0.29 116.57 118.90 1uh6 h LYS 55 Ca -0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1uh6 h LYS 55 Cb 0.52 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1uh6 h LYS 55 CO 0.01 0.18 -0.13 0.87 -0.57 0.00 0.00 179.45 179.82 1uh6 h LYS 56 N 0.29 -0.10 0.40 3.15 1.57 -1.44 0.16 116.57 120.60 1uh6 h LYS 56 Ca 0.38 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1uh6 h LYS 56 Cb 0.62 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1uh6 h LYS 56 CO -0.47 -0.07 -0.32 -0.07 -0.57 0.00 0.00 179.45 177.96 1uh6 h LEU 57 N -0.11 -0.83 -0.31 2.94 3.38 -0.54 0.02 115.31 119.86 1uh6 h LEU 57 Ca 0.12 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1uh6 h LEU 57 Cb 0.29 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1uh6 h LEU 57 CO -0.29 -0.47 -0.36 0.40 0.09 0.00 0.00 178.44 177.81 1uh6 h ILE 58 N -0.72 0.00 -0.83 1.22 2.04 -0.00 1.70 117.51 120.92 1uh6 h ILE 58 Ca -0.04 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.07 1uh6 h ILE 58 Cb 0.62 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1uh6 h ILE 58 CO -0.01 0.00 0.69 0.00 0.00 0.00 0.00 178.15 178.83 1uh6 h ALA 59 N -0.44 2.70 0.11 1.87 0.00 -0.55 1.40 119.26 124.36 1uh6 h ALA 59 Ca 0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 1uh6 h ALA 59 Cb 0.37 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.25 1uh6 h ALA 59 CO -0.41 -1.12 -1.22 0.00 0.00 0.00 0.00 179.25 176.50 1uh6 h ALA 60 N 1.40 -0.01 -0.19 0.00 0.00 0.35 1.45 119.26 122.26 1uh6 h ALA 60 Ca 0.40 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1uh6 h ALA 60 Cb 1.77 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1uh6 h ALA 60 CO -0.00 0.67 -0.54 1.96 0.00 0.00 0.00 179.25 181.33 1uh6 h GLN 61 N 0.26 0.71 0.00 0.00 1.08 0.94 -3.34 115.11 114.76 1uh6 h GLN 61 Ca -0.18 -0.50 -0.08 0.00 -1.45 0.00 0.00 58.65 56.43 1uh6 h GLN 61 Cb 1.89 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.39 1uh6 h GLN 61 CO 0.23 1.13 -0.45 1.79 -0.95 0.00 0.00 178.83 180.58 1uh6 h THR 62 N 0.42 1.22 0.00 -0.54 1.35 0.13 -3.49 112.91 112.01 1uh6 h THR 62 Ca -0.01 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 1uh6 h THR 62 Cb 1.16 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 1uh6 h THR 62 CO 0.12 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1uh6 n GLY 63 N 1.57 1.22 0.75 5.82 0.00 0.49 -5.04 105.19 110.00 1uh6 n GLY 63 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.00 -3.70 2.61 -2.24 -0.67 -4.87 114.28 105.40 1uh6 n THR 64 Ca 0.00 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 1uh6 n THR 64 Cb 0.00 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.33 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 -3.52 3.81 0.58 -0.78 3.00 -1.26 -4.47 118.95 116.30 1uh6 s ARG 65 Ca 0.15 0.03 0.39 0.00 0.00 0.00 0.00 55.73 56.30 1uh6 s ARG 65 Cb -0.02 -3.27 2.03 0.00 0.00 0.00 0.00 34.95 33.69 1uh6 s ARG 65 CO 0.12 0.59 2.18 0.11 0.00 0.00 0.00 175.30 178.30 1uh6 h TRP 66 N 5.47 0.00 -0.57 -0.53 5.08 -1.87 0.60 115.95 124.14 1uh6 h TRP 66 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.47 1uh6 h TRP 66 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1uh6 h TRP 66 CO 0.69 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 178.12 1uh6 n ASN 67 N -2.90 5.21 -2.07 0.11 6.94 -1.26 -4.03 115.26 117.27 1uh6 n ASN 67 Ca -0.02 -2.74 0.01 0.00 -0.02 0.00 0.00 54.58 51.80 1uh6 n ASN 67 Cb 0.10 -0.65 0.04 0.00 -2.36 0.00 0.00 39.78 36.91 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uh6 n LYS 68 N 0.74 1.07 -4.00 -3.83 5.02 0.21 -4.82 118.16 112.55 1uh6 n LYS 68 Ca 0.26 -2.87 -0.23 0.00 -2.02 0.00 0.00 58.31 53.45 1uh6 n LYS 68 Cb 1.06 -0.94 -0.17 0.00 -0.02 0.00 0.00 35.03 34.96 1uh6 n LYS 68 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1uh6 s ILE 69 N -2.15 0.62 -0.17 -0.18 1.01 -1.22 -3.55 121.20 115.56 1uh6 s ILE 69 Ca 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1uh6 s ILE 69 Cb 0.36 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1uh6 s ILE 69 CO -0.09 0.28 -0.21 -0.69 0.00 0.00 0.00 174.94 174.23 1uh6 s VAL 70 N 1.44 2.05 -0.32 2.92 1.01 0.16 -4.95 120.40 122.70 1uh6 s VAL 70 Ca -0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1uh6 s VAL 70 Cb -0.13 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1uh6 s VAL 70 CO -0.03 0.54 0.17 -0.76 0.00 0.00 0.00 175.10 175.02 1uh6 s LEU 71 N 1.13 4.25 0.10 3.92 2.01 -1.25 -1.45 118.68 127.40 1uh6 s LEU 71 Ca 0.01 -0.59 0.09 0.00 0.01 0.00 0.00 54.13 53.64 1uh6 s LEU 71 Cb -0.14 -2.02 -0.03 0.00 0.01 0.00 0.00 46.19 44.01 1uh6 s LEU 71 CO -0.09 -0.23 -0.23 -0.54 1.01 0.00 0.00 176.35 176.27 1uh6 s LYS 72 N 1.61 1.28 -0.37 1.70 1.02 -0.65 -2.07 119.74 122.26 1uh6 s LYS 72 Ca 0.04 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 54.88 1uh6 s LYS 72 Cb -0.17 -1.59 0.11 0.00 -0.52 0.00 0.00 37.83 35.66 1uh6 s LYS 72 CO 0.07 0.38 0.11 0.21 -0.92 0.00 0.00 175.35 175.20 1uh6 s LYS 73 N -1.80 1.32 1.02 1.68 2.47 0.26 0.13 119.74 124.82 1uh6 s LYS 73 Ca 0.09 -1.78 0.00 0.00 -1.56 0.00 0.00 55.97 52.72 1uh6 s LYS 73 Cb -0.10 -2.79 0.00 0.00 -1.46 0.00 0.00 37.83 33.48 1uh6 s LYS 73 CO 0.04 -1.00 0.00 0.91 0.16 0.00 0.00 175.35 175.46 1uh6 n TRP 74 N 4.17 0.00 0.00 4.03 7.02 -1.26 -1.51 117.44 129.90 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 0.66 -2.02 0.00 0.00 177.69 176.33 1uh6 n TYR 75 N 0.00 0.00 -1.73 -5.99 4.01 -1.26 -5.06 117.16 107.14 1uh6 n TYR 75 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1uh6 n TYR 75 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1uh6 s THR 76 N -1.92 2.61 -0.06 -0.72 2.01 -0.57 -5.03 115.64 111.97 1uh6 s THR 76 Ca 0.00 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1uh6 s THR 76 Cb 0.00 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1uh6 s THR 76 CO 0.00 -0.13 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.02 1uh6 s ILE 77 N -1.89 3.03 -0.50 1.82 1.09 -1.26 -0.57 121.20 122.91 1uh6 s ILE 77 Ca 0.74 -0.73 -0.22 0.00 -1.10 0.00 0.00 60.65 59.34 1uh6 s ILE 77 Cb -0.28 -2.19 0.04 0.00 -1.06 0.00 0.00 42.46 38.97 1uh6 s ILE 77 CO 0.40 0.59 0.79 -0.36 -0.10 0.00 0.00 174.94 176.25 1uh6 s PHE 78 N -0.64 2.94 0.78 3.97 0.40 -0.88 -4.96 117.98 119.59 1uh6 s PHE 78 Ca 0.09 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 1uh6 s PHE 78 Cb -0.11 -3.75 0.07 0.00 0.51 0.00 0.00 43.02 39.73 1uh6 s PHE 78 CO 0.01 -1.13 1.13 0.15 0.70 0.00 0.00 175.22 176.08 1uh6 s LYS 79 N 3.32 1.99 0.00 0.44 -0.14 -1.26 -4.73 119.74 119.36 1uh6 s LYS 79 Ca 0.25 1.43 0.27 0.00 -1.36 0.00 0.00 55.97 56.56 1uh6 s LYS 79 Cb -0.14 -1.85 0.79 0.00 -1.68 0.00 0.00 37.83 34.95 1uh6 s LYS 79 CO 0.18 -1.88 1.61 -0.25 -0.76 0.00 0.00 175.35 174.24 1uh6 n ASP 80 N -3.36 0.41 -1.21 2.83 9.92 -1.26 -3.19 116.55 120.70 1uh6 n ASP 80 Ca 0.11 -0.15 0.11 0.00 -0.53 0.00 0.00 54.79 54.33 1uh6 n ASP 80 Cb 0.52 0.02 0.26 0.00 -0.64 0.00 0.00 41.12 41.28 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uh6 n HIS 81 N -1.37 0.74 -3.92 1.24 1.44 -1.26 -3.83 115.22 108.26 1uh6 n HIS 81 Ca 0.07 -0.39 -0.35 0.00 -2.01 0.00 0.00 57.72 55.04 1uh6 n HIS 81 Cb 0.33 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.19 3.24 0.87 0.61 1.01 -1.19 -5.07 120.40 118.68 1uh6 s VAL 82 Ca 0.43 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1uh6 s VAL 82 Cb 0.23 -2.52 0.11 0.00 0.00 0.00 0.00 36.38 34.20 1uh6 s VAL 82 CO 0.31 0.36 1.09 -0.94 0.00 0.00 0.00 175.10 175.92 1uh6 s SER 83 N 1.44 3.72 0.20 3.32 1.04 -1.26 -3.27 113.70 118.88 1uh6 s SER 83 Ca 0.04 1.51 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 1uh6 s SER 83 Cb -0.15 -2.20 0.14 0.00 0.10 0.00 0.00 66.02 63.91 1uh6 s SER 83 CO -0.04 -2.49 1.56 -0.07 0.98 0.00 0.00 173.24 173.19 1uh6 h LEU 84 N -1.44 0.73 -2.70 2.42 4.07 -1.70 -2.38 115.31 114.31 1uh6 h LEU 84 Ca -0.48 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.15 1uh6 h LEU 84 Cb 1.28 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1uh6 h LEU 84 CO 0.55 1.03 0.00 1.23 -1.08 0.00 0.00 178.44 180.17 1uh6 h GLY 85 N 0.97 0.00 0.13 0.83 0.00 -1.85 0.14 103.07 103.30 1uh6 h GLY 85 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1uh6 h GLY 85 CO 0.08 0.00 -0.41 -0.55 0.00 0.00 0.00 176.54 175.67 1uh6 h ASP 86 N 0.00 0.09 0.59 0.19 3.32 -1.77 -3.28 116.42 115.57 1uh6 h ASP 86 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1uh6 h ASP 86 Cb 0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1uh6 h ASP 86 CO 0.00 1.17 0.00 -1.22 -1.72 0.00 0.00 179.24 177.47 1uh6 n TYR 87 N -4.47 0.00 -2.53 4.55 4.01 -0.83 -4.86 117.16 113.04 1uh6 n TYR 87 Ca -0.15 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.45 1uh6 n TYR 87 Cb 0.59 -0.48 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.48 -2.23 -1.76 -0.72 1.02 0.39 -4.94 120.64 110.92 1uh6 n GLU 88 Ca 0.05 0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 1uh6 n GLU 88 Cb 0.21 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 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 -4.05 2.08 -4.07 -3.67 5.41 -0.68 -5.00 119.36 109.38 1uh6 n ILE 89 Ca -0.12 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.88 1uh6 n ILE 89 Cb 0.60 -1.88 -0.05 0.00 -0.71 0.00 0.00 39.64 37.60 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 -1.12 3.18 -1.04 1.39 3.76 -1.26 -4.88 115.29 115.33 1uh6 s HIS 90 Ca 0.54 -0.01 -0.25 0.00 -0.15 0.00 0.00 55.06 55.20 1uh6 s HIS 90 Cb -0.49 -1.52 -0.12 0.00 1.11 0.00 0.00 32.58 31.56 1uh6 s HIS 90 CO 0.63 0.52 2.06 0.16 -0.85 0.00 0.00 174.74 177.26 1uh6 s ASP 91 N -3.20 4.45 0.00 1.40 -4.77 -1.26 -2.34 116.67 110.95 1uh6 s ASP 91 Ca 0.32 -1.01 0.00 0.00 -3.30 0.00 0.00 52.55 48.56 1uh6 s ASP 91 Cb -0.10 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1uh6 s ASP 91 CO 0.24 -3.59 0.00 0.61 0.70 0.00 0.00 175.17 173.13 1uh6 n GLY 92 N 6.28 0.31 3.82 2.12 0.00 0.28 -4.74 105.19 113.26 1uh6 n GLY 92 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 3.89 -0.42 1.61 1.75 -0.99 -4.81 119.30 120.34 1uh6 s MET 93 Ca 0.00 0.19 -0.10 0.00 -1.25 0.00 0.00 55.69 54.53 1uh6 s MET 93 Cb 0.00 -3.27 0.07 0.00 2.84 0.00 0.00 34.83 34.47 1uh6 s MET 93 CO 0.00 0.58 0.27 -0.80 -0.65 0.00 0.00 175.02 174.42 1uh6 s ASN 94 N -0.61 5.71 0.11 1.11 0.02 -1.25 0.19 114.94 120.21 1uh6 s ASN 94 Ca 0.20 -1.43 0.02 0.00 -1.02 0.00 0.00 52.86 50.63 1uh6 s ASN 94 Cb -0.14 -2.01 -0.04 0.00 0.02 0.00 0.00 41.25 39.07 1uh6 s ASN 94 CO 0.08 -0.53 0.19 -0.76 0.02 0.00 0.00 177.10 176.10 1uh6 s LEU 95 N 1.46 4.12 -0.35 0.60 2.01 -0.53 -4.96 118.68 121.03 1uh6 s LEU 95 Ca 0.03 0.10 -0.28 0.00 0.01 0.00 0.00 54.13 53.99 1uh6 s LEU 95 Cb -0.23 -2.73 -0.01 0.00 0.01 0.00 0.00 46.19 43.22 1uh6 s LEU 95 CO 0.03 0.11 1.75 -1.61 1.01 0.00 0.00 176.35 177.65 1uh6 s GLU 96 N -2.83 3.34 -0.20 1.70 2.02 0.36 -2.64 118.70 120.44 1uh6 s GLU 96 Ca 0.33 1.33 -0.21 0.00 0.02 0.00 0.00 54.97 56.44 1uh6 s GLU 96 Cb -0.12 -4.18 -0.02 0.00 0.10 0.00 0.00 34.13 29.91 1uh6 s GLU 96 CO 0.26 -1.85 0.66 -1.17 0.02 0.00 0.00 175.26 173.18 1uh6 s LEU 97 N 6.79 4.14 0.03 1.80 2.96 -0.89 -1.64 118.68 131.86 1uh6 s LEU 97 Ca 0.77 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 55.54 1uh6 s LEU 97 Cb -0.21 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1uh6 s LEU 97 CO 0.33 -0.30 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.72 1uh6 s TYR 98 N 2.01 0.38 -0.09 5.38 2.02 -0.53 -4.47 117.35 122.05 1uh6 s TYR 98 Ca 0.30 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1uh6 s TYR 98 Cb -0.16 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.11 1uh6 s TYR 98 CO 0.10 -0.26 -0.17 0.71 -1.57 0.00 0.00 175.55 174.36 1uh6 s TYR 99 N -2.47 2.69 -2.00 2.71 2.02 -1.26 0.39 117.35 119.43 1uh6 s TYR 99 Ca -0.06 -0.58 0.22 0.00 -0.37 0.00 0.00 57.07 56.28 1uh6 s TYR 99 Cb -0.03 -1.73 1.30 0.00 -0.40 0.00 0.00 41.96 41.11 1uh6 s TYR 99 CO -0.05 -0.13 1.68 1.04 -1.57 0.00 0.00 175.55 176.52