#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 2.18 0.02 0.03 -0.14 -1.26 -5.16 119.74 115.41 1uh6 s LYS 2 Ca 0.00 -2.27 0.00 0.00 -1.36 0.00 0.00 55.97 52.34 1uh6 s LYS 2 Cb 0.00 -1.66 -0.00 0.00 -1.68 0.00 0.00 37.83 34.49 1uh6 s LYS 2 CO 0.00 -0.35 0.02 0.41 -0.76 0.00 0.00 175.35 174.67 1uh6 n GLY 3 N -1.30 3.98 3.61 -3.33 0.00 -1.26 -5.18 105.19 101.70 1uh6 n GLY 3 Ca -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.13 -0.05 0.17 1.61 1.04 -1.26 -5.19 113.70 108.88 1uh6 s SER 4 Ca 0.02 -0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.10 1uh6 s SER 4 Cb 0.00 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.31 1uh6 s SER 4 CO 0.02 -0.25 0.87 -0.55 0.98 0.00 0.00 173.24 174.31 1uh6 s SER 5 N -2.94 -0.24 0.27 7.02 0.15 -1.26 -5.19 113.70 111.51 1uh6 s SER 5 Ca 0.14 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.37 1uh6 s SER 5 Cb 0.05 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1uh6 s SER 5 CO -0.04 -0.99 0.32 -1.00 1.20 0.00 0.00 173.24 172.72 1uh6 s HIS 6 N -3.46 1.05 0.27 3.44 3.76 -1.26 -5.18 115.29 113.90 1uh6 s HIS 6 Ca 0.11 -1.25 0.03 0.00 -0.15 0.00 0.00 55.06 53.80 1uh6 s HIS 6 Cb -0.03 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.34 1uh6 s HIS 6 CO 0.02 -0.88 0.21 -1.01 -0.85 0.00 0.00 174.74 172.23 1uh6 s HIS 7 N -3.75 1.47 0.34 1.40 3.76 -1.26 -5.18 115.29 112.08 1uh6 s HIS 7 Ca 0.33 -1.53 0.04 0.00 -0.15 0.00 0.00 55.06 53.75 1uh6 s HIS 7 Cb 0.03 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 33.03 1uh6 s HIS 7 CO 0.16 -0.77 0.07 -1.58 -0.85 0.00 0.00 174.74 171.77 1uh6 s HIS 8 N -3.77 1.91 0.86 1.40 2.46 -1.26 -5.16 115.29 111.73 1uh6 s HIS 8 Ca 0.40 -1.03 -0.11 0.00 0.47 0.00 0.00 55.06 54.79 1uh6 s HIS 8 Cb 0.04 -1.25 0.15 0.00 -0.13 0.00 0.00 32.58 31.39 1uh6 s HIS 8 CO 0.20 -0.06 1.20 -1.01 -2.47 0.00 0.00 174.74 172.61 1uh6 s HIS 9 N -3.30 2.03 0.24 3.88 3.76 -1.26 -5.04 115.29 115.61 1uh6 s HIS 9 Ca 0.34 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.56 1uh6 s HIS 9 Cb 0.07 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.07 1uh6 s HIS 9 CO 0.15 -2.17 0.00 1.58 -0.85 0.00 0.00 174.74 173.45 1uh6 n HIS 10 N -3.42 -2.14 -1.21 1.40 -0.00 -1.26 -5.17 115.22 103.44 1uh6 n HIS 10 Ca 0.13 0.38 0.08 0.00 0.46 0.00 0.00 57.72 58.76 1uh6 n HIS 10 Cb 0.60 0.57 -0.04 0.00 -0.12 0.00 0.00 29.99 31.00 1uh6 n HIS 10 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1uh6 n HIS 11 N -3.32 -3.27 -4.11 1.57 8.25 -1.26 -5.01 115.22 108.07 1uh6 n HIS 11 Ca 0.00 1.79 -0.15 0.00 -0.26 0.00 0.00 57.72 59.11 1uh6 n HIS 11 Cb 0.00 -2.91 -0.11 0.00 1.12 0.00 0.00 29.99 28.08 1uh6 n HIS 11 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1uh6 s SER 12 N -5.85 1.18 0.89 0.41 0.15 -1.26 -5.14 113.70 104.08 1uh6 s SER 12 Ca 0.00 -0.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.92 1uh6 s SER 12 Cb 0.00 0.01 0.13 0.00 -1.71 0.00 0.00 66.02 64.46 1uh6 s SER 12 CO 0.00 -0.19 1.15 -0.94 1.20 0.00 0.00 173.24 174.46 1uh6 s SER 13 N -1.82 3.07 0.23 5.45 1.04 -1.26 -4.78 113.70 115.63 1uh6 s SER 13 Ca -0.05 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1uh6 s SER 13 Cb -0.08 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1uh6 s SER 13 CO 0.01 -3.01 0.00 0.61 0.98 0.00 0.00 173.24 171.83 1uh6 n GLY 14 N 0.18 -0.72 2.76 7.32 0.00 -1.26 -4.20 105.19 109.27 1uh6 n GLY 14 Ca 0.12 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1uh6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 n ALA 15 N -0.94 5.10 -3.28 4.61 0.00 -1.26 -4.90 120.51 119.84 1uh6 n ALA 15 Ca 0.00 -4.73 -0.19 0.00 0.00 0.00 0.00 53.44 48.53 1uh6 n ALA 15 Cb 0.22 -1.65 0.02 0.00 0.00 0.00 0.00 19.45 18.03 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 0.49 -6.30 -0.03 0.00 7.64 -1.26 -4.97 113.62 109.20 1uh6 n SER 16 Ca 0.34 0.23 -0.03 0.00 1.01 0.00 0.00 58.87 60.42 1uh6 n SER 16 Cb 0.34 -2.21 -0.01 0.00 -1.01 0.00 0.00 64.21 61.32 1uh6 n SER 16 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1uh6 n LEU 17 N 0.43 0.76 -3.51 -3.43 -0.00 -1.26 -5.04 117.00 104.95 1uh6 n LEU 17 Ca -0.03 0.13 -0.33 0.00 -0.00 0.00 0.00 56.01 55.78 1uh6 n LEU 17 Cb 0.55 -0.56 0.03 0.00 -0.00 0.00 0.00 43.42 43.43 1uh6 n LEU 17 CO 0.33 -0.42 -0.23 0.52 -0.00 0.00 0.00 177.39 177.59 1uh6 n VAL 18 N -3.26 -4.53 0.02 1.96 0.31 -1.26 -4.86 118.33 106.70 1uh6 n VAL 18 Ca -0.05 0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.20 1uh6 n VAL 18 Cb 0.20 -3.80 -0.09 0.00 -0.91 0.00 0.00 33.84 29.24 1uh6 n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1uh6 h PRO 19 N 1.50 0.73 -1.25 5.55 0.13 -1.98 -3.39 132.00 133.29 1uh6 h PRO 19 Ca -0.53 -0.72 0.15 0.00 -0.87 0.00 0.00 66.00 64.04 1uh6 h PRO 19 Cb 1.37 0.19 -0.31 0.00 0.13 0.00 0.00 31.00 32.38 1uh6 h PRO 19 CO 0.26 1.30 0.74 0.50 -0.23 0.00 0.00 178.00 180.57 1uh6 s ARG 20 N -3.48 0.21 -0.38 0.86 3.52 -1.26 -4.96 118.95 113.47 1uh6 s ARG 20 Ca -0.10 0.25 0.12 0.00 -0.13 0.00 0.00 55.73 55.87 1uh6 s ARG 20 Cb 0.08 0.10 0.38 0.00 -1.56 0.00 0.00 34.95 33.94 1uh6 s ARG 20 CO 0.92 -0.03 0.92 0.41 -0.81 0.00 0.00 175.30 176.71 1uh6 n GLY 21 N 1.83 2.31 1.27 8.12 0.00 -1.26 -5.13 105.19 112.34 1uh6 n GLY 21 Ca -0.11 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 44.93 1uh6 n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uh6 n SER 22 N 0.12 -6.92 -4.74 1.61 7.64 -1.26 -4.69 113.62 105.38 1uh6 n SER 22 Ca 0.15 0.88 -0.33 0.00 1.01 0.00 0.00 58.87 60.58 1uh6 n SER 22 Cb 0.73 -4.12 0.08 0.00 -1.01 0.00 0.00 64.21 59.89 1uh6 n SER 22 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uh6 s GLU 23 N -3.40 2.26 -0.43 1.43 0.41 -1.26 -4.28 118.70 113.42 1uh6 s GLU 23 Ca 0.00 1.57 -0.02 0.00 -0.41 0.00 0.00 54.97 56.11 1uh6 s GLU 23 Cb 0.00 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.49 1uh6 s GLU 23 CO 0.00 -1.70 0.44 0.41 -0.49 0.00 0.00 175.26 173.91 1uh6 n GLY 24 N -0.05 -0.94 3.80 -1.39 0.00 -1.26 -5.07 105.19 100.27 1uh6 n GLY 24 Ca 0.12 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.79 -0.71 -1.17 4.61 0.00 -1.26 -5.07 121.76 115.37 1uh6 s ALA 25 Ca 0.03 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1uh6 s ALA 25 Cb -0.01 0.72 0.24 0.00 0.00 0.00 0.00 23.12 24.07 1uh6 s ALA 25 CO 0.48 -0.98 1.64 0.00 0.00 0.00 0.00 175.76 176.90 1uh6 n ALA 26 N -0.52 5.17 -1.94 0.00 0.00 -1.26 -4.51 120.51 117.45 1uh6 n ALA 26 Ca -0.08 -4.57 -0.32 0.00 0.00 0.00 0.00 53.44 48.47 1uh6 n ALA 26 Cb 0.60 -2.65 -0.04 0.00 0.00 0.00 0.00 19.45 17.35 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 -1.21 4.57 -0.21 0.00 2.01 -1.26 -4.79 115.64 114.75 1uh6 s THR 27 Ca 0.35 1.12 -0.16 0.00 0.31 0.00 0.00 61.69 63.31 1uh6 s THR 27 Cb 0.06 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1uh6 s THR 27 CO 0.05 -0.52 0.39 -0.04 -0.69 0.00 0.00 174.62 173.81 1uh6 s MET 28 N -3.72 4.15 0.02 4.92 -1.94 -1.26 -1.86 119.30 119.61 1uh6 s MET 28 Ca 0.57 0.18 0.02 0.00 -1.71 0.00 0.00 55.69 54.75 1uh6 s MET 28 Cb -0.10 -3.55 -0.02 0.00 2.01 0.00 0.00 34.83 33.17 1uh6 s MET 28 CO 0.26 -0.08 -0.08 0.96 -0.01 0.00 0.00 175.02 176.08 1uh6 s ILE 29 N 1.43 0.56 -0.18 2.53 -4.36 0.21 -4.96 121.20 116.43 1uh6 s ILE 29 Ca 0.18 -0.72 -0.05 0.00 -0.26 0.00 0.00 60.65 59.81 1uh6 s ILE 29 Cb -0.15 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 42.99 1uh6 s ILE 29 CO 0.08 -0.13 -0.01 -0.70 0.24 0.00 0.00 174.94 174.42 1uh6 s GLU 30 N -0.92 3.66 0.29 0.37 2.12 -1.26 0.15 118.70 123.10 1uh6 s GLU 30 Ca -0.04 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 54.84 1uh6 s GLU 30 Cb -0.06 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 1uh6 s GLU 30 CO 0.00 0.13 0.41 0.14 -0.54 0.00 0.00 175.26 175.40 1uh6 s VAL 31 N 0.67 4.62 -0.25 3.70 -7.23 -0.43 0.19 120.40 121.67 1uh6 s VAL 31 Ca -0.01 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1uh6 s VAL 31 Cb -0.14 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.25 1uh6 s VAL 31 CO 0.02 -0.24 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.84 1uh6 s VAL 32 N -2.09 1.62 -0.07 1.32 1.01 0.16 -2.39 120.40 119.96 1uh6 s VAL 32 Ca 0.39 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1uh6 s VAL 32 Cb -0.09 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1uh6 s VAL 32 CO 0.30 -0.18 0.59 0.00 0.00 0.00 0.00 175.10 175.81 1uh6 s ASN 34 N 0.44 6.16 0.36 0.00 0.02 -1.15 -1.94 114.94 118.83 1uh6 s ASN 34 Ca 0.32 -1.83 0.03 0.00 -1.02 0.00 0.00 52.86 50.35 1uh6 s ASN 34 Cb -0.17 -2.19 -0.02 0.00 0.02 0.00 0.00 41.25 38.90 1uh6 s ASN 34 CO 0.15 -0.83 0.54 1.51 0.02 0.00 0.00 177.10 178.49 1uh6 s ASP 35 N 3.45 6.05 -0.25 -1.22 1.47 -1.26 -2.09 116.67 122.83 1uh6 s ASP 35 Ca 0.04 0.17 -0.02 0.00 1.18 0.00 0.00 52.55 53.92 1uh6 s ASP 35 Cb -0.29 -1.63 0.08 0.00 -0.34 0.00 0.00 42.92 40.75 1uh6 s ASP 35 CO 0.02 -0.44 2.38 0.54 0.68 0.00 0.00 175.17 178.36 1uh6 n ARG 36 N -1.80 1.82 -0.05 2.11 3.00 -1.26 -3.75 116.66 116.74 1uh6 n ARG 36 Ca -0.02 -1.40 -0.02 0.00 -0.01 0.00 0.00 57.85 56.40 1uh6 n ARG 36 Cb 0.57 -1.67 -0.11 0.00 0.00 0.00 0.00 32.46 31.25 1uh6 n ARG 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1uh6 n LEU 37 N 0.93 0.00 0.00 0.55 4.77 -1.26 -5.02 117.00 116.98 1uh6 n LEU 37 Ca 0.31 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1uh6 n LEU 37 Cb 0.60 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1uh6 n LEU 37 CO 0.27 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1uh6 n GLY 38 N 2.02 2.24 3.59 -0.72 0.00 -1.25 -5.08 105.19 106.00 1uh6 n GLY 38 Ca -0.15 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 2.17 0.63 1.61 -2.85 -1.26 -5.06 119.74 114.98 1uh6 s LYS 39 Ca 0.00 -1.10 -0.05 0.00 -1.00 0.00 0.00 55.97 53.82 1uh6 s LYS 39 Cb 0.00 -2.28 0.03 0.00 -2.06 0.00 0.00 37.83 33.52 1uh6 s LYS 39 CO 0.00 0.48 0.93 0.15 0.10 0.00 0.00 175.35 177.01 1uh6 s LYS 40 N -2.51 2.58 -0.19 1.78 1.02 -1.26 -4.37 119.74 116.80 1uh6 s LYS 40 Ca 0.24 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1uh6 s LYS 40 Cb -0.10 -2.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1uh6 s LYS 40 CO 0.15 -0.91 -0.07 0.08 -0.92 0.00 0.00 175.35 173.68 1uh6 s VAL 41 N -3.06 1.40 -0.21 3.17 1.01 -0.82 -4.98 120.40 116.92 1uh6 s VAL 41 Ca 0.57 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1uh6 s VAL 41 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1uh6 s VAL 41 CO 0.44 0.11 0.30 -0.13 0.00 0.00 0.00 175.10 175.82 1uh6 s ARG 42 N 1.50 4.15 -0.01 2.72 0.52 -1.26 -1.91 118.95 124.65 1uh6 s ARG 42 Ca -0.01 0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 1uh6 s ARG 42 Cb -0.16 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.79 1uh6 s ARG 42 CO -0.08 0.04 -0.05 0.08 0.02 0.00 0.00 175.30 175.31 1uh6 s VAL 43 N 1.10 0.41 -0.05 3.52 1.01 -1.01 -4.99 120.40 120.39 1uh6 s VAL 43 Ca 0.15 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 1uh6 s VAL 43 Cb -0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1uh6 s VAL 43 CO 0.06 0.14 0.74 -0.54 0.00 0.00 0.00 175.10 175.50 1uh6 s LYS 44 N 0.17 4.46 0.30 2.72 1.02 -1.26 -1.31 119.74 125.84 1uh6 s LYS 44 Ca -0.02 0.97 0.03 0.00 0.02 0.00 0.00 55.97 56.97 1uh6 s LYS 44 Cb -0.05 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1uh6 s LYS 44 CO -0.00 0.06 0.14 0.00 -0.92 0.00 0.00 175.35 174.62 1uh6 s ASN 46 N -3.39 3.40 0.55 0.00 2.20 -1.26 0.65 114.94 117.09 1uh6 s ASN 46 Ca 0.35 -0.80 0.35 0.00 -0.94 0.00 0.00 52.86 51.82 1uh6 s ASN 46 Cb 0.06 -0.25 1.52 0.00 -2.00 0.00 0.00 41.25 40.58 1uh6 s ASN 46 CO 0.16 0.15 2.03 0.71 -2.94 0.00 0.00 177.10 177.21 1uh6 h THR 47 N 3.54 0.00 0.00 0.54 1.35 -1.64 -1.76 112.91 114.94 1uh6 h THR 47 Ca -0.49 -0.40 -0.14 0.00 -0.55 0.00 0.00 66.41 64.83 1uh6 h THR 47 Cb 1.19 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 1uh6 h THR 47 CO 0.43 0.00 -0.66 -0.78 -0.25 0.00 0.00 175.52 174.27 1uh6 h ASP 48 N 0.00 0.00 -3.94 5.36 3.58 -1.83 -3.33 116.42 116.26 1uh6 h ASP 48 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1uh6 h ASP 48 Cb 0.41 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1uh6 h ASP 48 CO 0.00 0.66 0.25 -1.81 -2.88 0.00 0.00 179.24 175.46 1uh6 s ASP 49 N -6.65 6.84 0.29 2.28 1.01 -0.66 -4.96 116.67 114.81 1uh6 s ASP 49 Ca 0.01 1.51 0.02 0.00 0.71 0.00 0.00 52.55 54.80 1uh6 s ASP 49 Cb 0.11 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1uh6 s ASP 49 CO 0.76 -0.33 0.45 0.42 0.21 0.00 0.00 175.17 176.68 1uh6 s THR 50 N -2.16 5.18 0.32 -1.27 -4.23 -1.26 -3.70 115.64 108.52 1uh6 s THR 50 Ca 0.59 -0.69 0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1uh6 s THR 50 Cb -0.10 -3.85 0.38 0.00 1.34 0.00 0.00 72.50 70.27 1uh6 s THR 50 CO 0.17 -0.43 1.51 -0.38 -0.54 0.00 0.00 174.62 174.94 1uh6 n ILE 51 N -1.54 -0.40 0.10 2.99 2.08 0.49 0.62 119.36 123.70 1uh6 n ILE 51 Ca -0.07 2.04 -0.14 0.00 0.56 0.00 0.00 62.75 65.15 1uh6 n ILE 51 Cb 0.56 -3.11 -0.07 0.00 -0.75 0.00 0.00 39.64 36.27 1uh6 n ILE 51 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1uh6 h GLY 52 N 0.00 -0.83 0.38 7.39 0.00 -0.86 0.33 103.07 109.49 1uh6 h GLY 52 Ca 0.67 0.50 0.14 0.00 0.00 0.00 0.00 47.33 48.64 1uh6 h GLY 52 CO -0.84 -0.26 0.62 -0.55 0.00 0.00 0.00 176.54 175.51 1uh6 h ASP 53 N -0.63 0.88 0.24 0.19 5.19 -0.07 -0.85 116.42 121.37 1uh6 h ASP 53 Ca 0.03 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1uh6 h ASP 53 Cb 0.67 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1uh6 h ASP 53 CO -0.26 0.43 -0.12 0.25 -3.12 0.00 0.00 179.24 176.42 1uh6 h LEU 54 N 0.93 -0.28 -0.92 1.55 7.12 0.29 -2.31 115.31 121.69 1uh6 h LEU 54 Ca 0.51 0.01 0.19 0.00 0.13 0.00 0.00 57.88 58.73 1uh6 h LEU 54 Cb 0.59 0.07 -0.17 0.00 -0.53 0.00 0.00 40.66 40.61 1uh6 h LEU 54 CO -0.30 -0.20 -0.20 0.29 -0.13 0.00 0.00 178.44 177.91 1uh6 n LYS 55 N -2.88 -0.08 -0.16 1.25 5.02 0.10 0.12 118.16 121.54 1uh6 n LYS 55 Ca -0.04 1.43 -0.08 0.00 -2.02 0.00 0.00 58.31 57.59 1uh6 n LYS 55 Cb 0.13 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 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 -0.26 -0.05 1.97 1.57 -0.97 0.85 116.57 119.68 1uh6 h LYS 56 Ca 0.45 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.27 1uh6 h LYS 56 Cb 0.73 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1uh6 h LYS 56 CO -0.94 -0.17 -0.27 -0.07 -0.57 0.00 0.00 179.45 177.43 1uh6 h LEU 57 N -0.27 -0.85 -0.52 2.94 3.38 0.15 0.70 115.31 120.84 1uh6 h LEU 57 Ca 0.17 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1uh6 h LEU 57 Cb 0.57 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1uh6 h LEU 57 CO -0.61 -0.25 -0.40 0.40 0.09 0.00 0.00 178.44 177.67 1uh6 h ILE 58 N -0.30 0.12 -0.74 1.22 2.04 -0.62 1.67 117.51 120.90 1uh6 h ILE 58 Ca 0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1uh6 h ILE 58 Cb 0.34 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1uh6 h ILE 58 CO -0.21 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.49 1uh6 h ALA 59 N 0.65 2.68 0.18 1.87 0.00 0.14 1.60 119.26 126.39 1uh6 h ALA 59 Ca 0.18 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1uh6 h ALA 59 Cb 0.57 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1uh6 h ALA 59 CO -0.64 -0.93 -1.34 0.00 0.00 0.00 0.00 179.25 176.34 1uh6 h ALA 60 N 1.60 -0.02 -0.20 0.00 0.00 0.82 0.42 119.26 121.89 1uh6 h ALA 60 Ca 0.35 -0.86 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 1uh6 h ALA 60 Cb 1.44 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1uh6 h ALA 60 CO -0.00 0.82 -0.70 1.96 0.00 0.00 0.00 179.25 181.32 1uh6 h GLN 61 N 0.13 0.82 0.10 0.00 1.08 0.63 -3.36 115.11 114.51 1uh6 h GLN 61 Ca -0.19 -0.62 -0.00 0.00 -1.45 0.00 0.00 58.65 56.38 1uh6 h GLN 61 Cb 2.04 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.59 1uh6 h GLN 61 CO 0.24 1.24 -0.05 1.79 -0.95 0.00 0.00 178.83 181.10 1uh6 h THR 62 N 0.58 0.00 0.00 -0.54 1.35 0.19 -3.49 112.91 111.00 1uh6 h THR 62 Ca -0.03 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1uh6 h THR 62 Cb 1.32 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1uh6 h THR 62 CO 0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1uh6 n GLY 63 N 1.24 0.78 0.00 5.82 0.00 0.12 -5.06 105.19 108.09 1uh6 n GLY 63 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.39 2.61 -2.24 -1.11 -4.95 114.28 104.20 1uh6 n THR 64 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1uh6 n THR 64 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.00 0.88 0.58 -0.78 0.52 -1.26 -4.78 118.95 114.11 1uh6 s ARG 65 Ca 0.00 -0.58 0.35 0.00 -0.52 0.00 0.00 55.73 54.98 1uh6 s ARG 65 Cb 0.00 -0.85 1.80 0.00 0.52 0.00 0.00 34.95 36.42 1uh6 s ARG 65 CO 0.00 0.22 2.17 0.11 0.02 0.00 0.00 175.30 177.82 1uh6 h TRP 66 N 5.35 0.00 -0.11 -0.53 5.08 -1.87 0.43 115.95 124.30 1uh6 h TRP 66 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1uh6 h TRP 66 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1uh6 h TRP 66 CO 0.48 0.04 0.00 0.27 -1.28 0.00 0.00 178.44 177.95 1uh6 n ASN 67 N -3.37 1.65 -1.57 0.11 6.94 -1.26 -3.66 115.26 114.10 1uh6 n ASN 67 Ca -0.02 -1.63 -0.06 0.00 -0.02 0.00 0.00 54.58 52.85 1uh6 n ASN 67 Cb 0.18 -0.06 0.09 0.00 -2.36 0.00 0.00 39.78 37.63 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 0.29 2.10 -3.66 -3.83 5.02 0.15 -4.75 118.16 113.48 1uh6 n LYS 68 Ca 0.17 -3.45 -0.25 0.00 -2.02 0.00 0.00 58.31 52.76 1uh6 n LYS 68 Cb 0.35 -1.62 -0.17 0.00 -0.02 0.00 0.00 35.03 33.57 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 -3.34 0.06 -0.12 -0.18 1.01 -1.14 -3.39 121.20 114.10 1uh6 s ILE 69 Ca 0.40 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1uh6 s ILE 69 Cb 0.38 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 1uh6 s ILE 69 CO -0.04 -0.13 0.02 -0.69 0.00 0.00 0.00 174.94 174.10 1uh6 s VAL 70 N 2.08 4.43 -0.26 2.92 1.01 0.17 -4.93 120.40 125.82 1uh6 s VAL 70 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1uh6 s VAL 70 Cb -0.15 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1uh6 s VAL 70 CO -0.07 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1uh6 s LEU 71 N -0.36 3.37 0.03 3.92 1.43 -1.26 -1.43 118.68 124.38 1uh6 s LEU 71 Ca 0.08 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1uh6 s LEU 71 Cb -0.12 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1uh6 s LEU 71 CO 0.02 -0.15 -0.20 -0.54 0.23 0.00 0.00 176.35 175.71 1uh6 s LYS 72 N 1.35 1.38 -0.26 1.70 1.02 -0.58 -1.59 119.74 122.75 1uh6 s LYS 72 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.15 1uh6 s LYS 72 Cb -0.17 -1.44 0.07 0.00 -0.52 0.00 0.00 37.83 35.77 1uh6 s LYS 72 CO -0.03 0.37 -0.05 0.21 -0.92 0.00 0.00 175.35 174.94 1uh6 s LYS 73 N -0.98 1.71 0.00 1.68 2.36 -0.24 0.19 119.74 124.45 1uh6 s LYS 73 Ca 0.07 -1.19 0.00 0.00 -2.55 0.00 0.00 55.97 52.30 1uh6 s LYS 73 Cb -0.08 -2.70 0.00 0.00 -1.05 0.00 0.00 37.83 33.99 1uh6 s LYS 73 CO 0.01 -0.65 0.00 0.91 1.55 0.00 0.00 175.35 177.17 1uh6 n TRP 74 N 4.57 0.00 -2.12 4.03 7.02 -1.26 -1.14 117.44 128.54 1uh6 n TRP 74 Ca -0.10 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.33 1uh6 n TRP 74 Cb 0.43 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.27 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 -0.05 -4.51 -5.99 4.01 -1.26 -5.12 117.16 104.24 1uh6 n TYR 75 Ca 0.00 -0.55 -0.27 0.00 -0.16 0.00 0.00 57.90 56.93 1uh6 n TYR 75 Cb 0.00 0.40 -0.13 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.02 1.93 -0.17 -0.72 2.01 -0.29 -5.13 115.64 113.25 1uh6 s THR 76 Ca 0.07 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.50 1uh6 s THR 76 Cb 0.09 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1uh6 s THR 76 CO -0.04 0.12 0.09 -0.63 -0.69 0.00 0.00 174.62 173.48 1uh6 s ILE 77 N -0.98 5.08 -0.42 1.82 1.01 -1.26 -1.08 121.20 125.36 1uh6 s ILE 77 Ca 0.10 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1uh6 s ILE 77 Cb -0.10 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1uh6 s ILE 77 CO 0.04 0.50 0.30 -0.36 0.00 0.00 0.00 174.94 175.42 1uh6 s PHE 78 N -0.01 3.25 0.27 3.97 0.40 -0.62 -5.01 117.98 120.23 1uh6 s PHE 78 Ca 0.08 -0.85 -0.04 0.00 -0.60 0.00 0.00 56.93 55.52 1uh6 s PHE 78 Cb -0.12 -2.74 0.06 0.00 0.51 0.00 0.00 43.02 40.73 1uh6 s PHE 78 CO 0.00 -0.68 0.14 1.63 0.70 0.00 0.00 175.22 177.01 1uh6 n LYS 79 N 5.11 -1.43 -0.07 0.44 4.76 -1.26 -4.64 118.16 121.06 1uh6 n LYS 79 Ca -0.11 -0.24 -0.22 0.00 -2.87 0.00 0.00 58.31 54.87 1uh6 n LYS 79 Cb 0.45 -0.37 -0.12 0.00 -1.84 0.00 0.00 35.03 33.16 1uh6 n LYS 79 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1uh6 n ASP 80 N -2.51 2.01 -2.47 4.39 5.68 -1.26 -4.34 116.55 118.05 1uh6 n ASP 80 Ca 0.02 0.19 -0.22 0.00 -0.50 0.00 0.00 54.79 54.28 1uh6 n ASP 80 Cb 0.10 -0.77 -0.11 0.00 -1.14 0.00 0.00 41.12 39.19 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 -3.74 0.92 -3.89 2.11 1.44 -1.26 -0.28 115.22 110.52 1uh6 n HIS 81 Ca -0.39 -2.03 -0.29 0.00 -2.01 0.00 0.00 57.72 53.00 1uh6 n HIS 81 Cb 0.93 -1.83 -0.16 0.00 0.12 0.00 0.00 29.99 29.05 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 0.90 1.16 0.37 0.61 1.01 -1.26 -4.92 120.40 118.26 1uh6 s VAL 82 Ca 0.66 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1uh6 s VAL 82 Cb 0.28 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 1uh6 s VAL 82 CO -0.04 0.06 0.89 -0.94 0.00 0.00 0.00 175.10 175.07 1uh6 s SER 83 N 1.60 7.02 0.55 3.32 1.04 -1.26 0.19 113.70 126.16 1uh6 s SER 83 Ca -0.01 1.63 0.26 0.00 0.48 0.00 0.00 55.95 58.31 1uh6 s SER 83 Cb -0.16 -2.51 1.47 0.00 0.10 0.00 0.00 66.02 64.92 1uh6 s SER 83 CO -0.07 -0.22 2.03 -0.07 0.98 0.00 0.00 173.24 175.88 1uh6 h LEU 84 N 2.42 0.00 -0.12 2.42 -0.00 -1.66 0.95 115.31 119.32 1uh6 h LEU 84 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1uh6 h LEU 84 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1uh6 h LEU 84 CO 0.63 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.68 1uh6 n GLY 85 N -1.54 -1.31 0.07 0.83 0.00 -1.26 -1.19 105.19 100.79 1uh6 n GLY 85 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1uh6 n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uh6 h ASP 86 N 0.00 0.00 -0.23 1.61 3.32 0.60 -3.29 116.42 118.42 1uh6 h ASP 86 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1uh6 h ASP 86 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1uh6 h ASP 86 CO 0.00 1.03 0.00 -1.22 -1.72 0.00 0.00 179.24 177.33 1uh6 n TYR 87 N -4.60 0.31 -1.86 4.55 4.01 -1.16 -4.86 117.16 113.54 1uh6 n TYR 87 Ca -0.12 -0.15 -0.13 0.00 -0.16 0.00 0.00 57.90 57.34 1uh6 n TYR 87 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 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 0.20 -1.70 -1.01 -0.72 -0.58 -0.71 -4.86 120.64 111.26 1uh6 n GLU 88 Ca 0.09 0.69 -0.35 0.00 -0.42 0.00 0.00 57.16 57.17 1uh6 n GLU 88 Cb 0.21 -5.09 0.08 0.00 -0.57 0.00 0.00 31.44 26.07 1uh6 n GLU 88 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1uh6 n ILE 89 N -2.57 0.56 -4.42 -3.67 5.41 -0.33 -5.00 119.36 109.34 1uh6 n ILE 89 Ca -0.14 -0.33 -0.24 0.00 1.00 0.00 0.00 62.75 63.04 1uh6 n ILE 89 Cb 0.51 -0.50 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 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 -2.15 2.45 -0.73 1.39 3.76 -1.26 -4.87 115.29 113.88 1uh6 s HIS 90 Ca 0.56 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.84 1uh6 s HIS 90 Cb -0.26 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.21 1uh6 s HIS 90 CO 0.67 0.62 1.57 0.34 -0.85 0.00 0.00 174.74 177.09 1uh6 s ASP 91 N -3.61 5.77 0.00 1.40 2.15 -1.26 -2.80 116.67 118.32 1uh6 s ASP 91 Ca 0.32 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1uh6 s ASP 91 Cb -0.03 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1uh6 s ASP 91 CO 0.17 -2.09 0.00 0.61 -0.17 0.00 0.00 175.17 173.69 1uh6 n GLY 92 N 5.77 1.59 3.87 2.66 0.00 0.50 -4.77 105.19 114.81 1uh6 n GLY 92 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 3.75 -0.26 1.61 0.00 -1.12 -4.77 119.30 118.45 1uh6 s MET 93 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 55.69 56.42 1uh6 s MET 93 Cb 0.00 -2.19 0.07 0.00 0.00 0.00 0.00 34.83 32.71 1uh6 s MET 93 CO 0.00 -0.33 -0.07 -0.80 0.00 0.00 0.00 175.02 173.83 1uh6 s ASN 94 N -3.59 4.31 0.37 1.11 0.01 -1.26 0.38 114.94 116.27 1uh6 s ASN 94 Ca 0.55 -1.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.29 1uh6 s ASN 94 Cb -0.10 -1.44 0.03 0.00 0.41 0.00 0.00 41.25 40.15 1uh6 s ASN 94 CO 0.41 -0.23 0.29 0.18 -1.51 0.00 0.00 177.10 176.23 1uh6 n LEU 95 N 4.49 0.00 -4.38 0.60 4.77 -1.04 -4.94 117.00 116.50 1uh6 n LEU 95 Ca -0.11 -1.92 -0.43 0.00 -0.03 0.00 0.00 56.01 53.52 1uh6 n LEU 95 Cb 0.43 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1uh6 n LEU 95 CO 0.20 -0.49 -0.02 -1.61 -1.33 0.00 0.00 177.39 174.15 1uh6 s GLU 96 N -3.53 2.91 -0.13 3.23 2.02 0.50 -2.94 118.70 120.76 1uh6 s GLU 96 Ca 0.22 -1.30 -0.22 0.00 0.02 0.00 0.00 54.97 53.69 1uh6 s GLU 96 Cb -0.02 -4.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.15 1uh6 s GLU 96 CO 0.14 -0.96 0.64 -1.17 0.02 0.00 0.00 175.26 173.93 1uh6 s LEU 97 N 1.61 4.23 0.04 1.80 2.96 -0.89 -1.53 118.68 126.90 1uh6 s LEU 97 Ca 0.04 0.98 -0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1uh6 s LEU 97 Cb -0.23 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 1uh6 s LEU 97 CO 0.06 -0.18 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.58 1uh6 s TYR 98 N 1.29 0.44 -0.06 5.38 2.02 -0.52 -4.43 117.35 121.47 1uh6 s TYR 98 Ca 0.32 -0.87 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1uh6 s TYR 98 Cb -0.16 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1uh6 s TYR 98 CO 0.13 -0.31 -0.16 0.71 -1.57 0.00 0.00 175.55 174.36 1uh6 s TYR 99 N -3.04 2.67 -2.00 2.71 2.02 -1.26 0.45 117.35 118.91 1uh6 s TYR 99 Ca -0.01 -0.32 0.32 0.00 -0.37 0.00 0.00 57.07 56.68 1uh6 s TYR 99 Cb 0.02 -1.66 1.88 0.00 -0.40 0.00 0.00 41.96 41.80 1uh6 s TYR 99 CO -0.07 0.06 2.20 1.04 -1.57 0.00 0.00 175.55 177.21