#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 0.46 0.52 0.03 1.02 -1.26 -5.16 119.74 115.35 1uh6 s LYS 2 Ca 0.00 0.14 -0.14 0.00 0.02 0.00 0.00 55.97 55.99 1uh6 s LYS 2 Cb 0.00 0.21 -0.07 0.00 -0.52 0.00 0.00 37.83 37.45 1uh6 s LYS 2 CO 0.00 -0.09 0.96 0.20 -0.92 0.00 0.00 175.35 175.49 1uh6 s GLY 3 N -0.46 1.97 0.01 -3.33 0.00 -1.26 -4.85 107.32 99.40 1uh6 s GLY 3 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1uh6 s GLY 3 CO 0.02 0.33 0.00 1.44 0.00 0.00 0.00 173.10 174.88 1uh6 n SER 4 N -1.75 -0.13 -4.20 1.64 7.64 -1.26 -5.15 113.62 110.41 1uh6 n SER 4 Ca 0.06 0.22 -0.35 0.00 1.01 0.00 0.00 58.87 59.81 1uh6 n SER 4 Cb 0.54 0.34 0.10 0.00 -1.01 0.00 0.00 64.21 64.18 1uh6 n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uh6 n SER 5 N -2.45 -3.15 0.09 6.43 7.64 -1.26 -4.98 113.62 115.95 1uh6 n SER 5 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1uh6 n SER 5 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1uh6 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uh6 n HIS 6 N -3.64 -1.22 -3.59 1.43 1.44 -1.26 -5.16 115.22 103.23 1uh6 n HIS 6 Ca 0.01 0.22 0.02 0.00 -2.01 0.00 0.00 57.72 55.96 1uh6 n HIS 6 Cb 0.62 0.30 -0.01 0.00 0.12 0.00 0.00 29.99 31.02 1uh6 n HIS 6 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1uh6 s HIS 7 N -1.90 -0.02 0.18 -1.40 -3.43 -1.26 -5.19 115.29 102.26 1uh6 s HIS 7 Ca 0.00 -0.01 -0.24 0.00 -0.80 0.00 0.00 55.06 54.01 1uh6 s HIS 7 Cb 0.00 0.51 0.06 0.00 -1.43 0.00 0.00 32.58 31.73 1uh6 s HIS 7 CO 0.00 -0.09 0.96 -1.58 -2.00 0.00 0.00 174.74 172.03 1uh6 s HIS 8 N -2.14 -0.08 0.28 0.38 5.04 -1.26 -5.19 115.29 112.31 1uh6 s HIS 8 Ca 0.14 -0.27 -0.08 0.00 -1.54 0.00 0.00 55.06 53.31 1uh6 s HIS 8 Cb 0.05 0.66 -0.00 0.00 0.04 0.00 0.00 32.58 33.33 1uh6 s HIS 8 CO -0.05 -0.90 0.45 -1.58 -2.34 0.00 0.00 174.74 170.32 1uh6 s HIS 9 N -3.07 0.66 0.33 3.88 2.46 -1.26 -5.18 115.29 113.11 1uh6 s HIS 9 Ca 0.14 -0.98 0.06 0.00 0.47 0.00 0.00 55.06 54.75 1uh6 s HIS 9 Cb -0.02 0.05 -0.07 0.00 -0.13 0.00 0.00 32.58 32.41 1uh6 s HIS 9 CO 0.04 -1.03 -0.01 -3.38 -2.47 0.00 0.00 174.74 167.88 1uh6 s HIS 10 N -3.65 2.13 0.57 3.88 -3.43 -1.26 -5.16 115.29 108.38 1uh6 s HIS 10 Ca 0.27 -0.75 0.09 0.00 -0.80 0.00 0.00 55.06 53.87 1uh6 s HIS 10 Cb 0.00 -1.34 0.08 0.00 -1.43 0.00 0.00 32.58 29.89 1uh6 s HIS 10 CO 0.13 0.27 0.72 -1.01 -2.00 0.00 0.00 174.74 172.86 1uh6 s HIS 11 N -2.99 1.40 0.05 0.38 3.76 -1.26 -5.14 115.29 111.50 1uh6 s HIS 11 Ca 0.33 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1uh6 s HIS 11 Cb 0.06 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1uh6 s HIS 11 CO 0.15 -1.05 -0.06 -1.12 -0.85 0.00 0.00 174.74 171.81 1uh6 s SER 12 N -4.60 0.77 0.06 1.40 0.01 -1.26 -5.17 113.70 104.92 1uh6 s SER 12 Ca 0.56 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 1uh6 s SER 12 Cb -0.05 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1uh6 s SER 12 CO 0.36 -0.32 0.05 -0.94 0.41 0.00 0.00 173.24 172.80 1uh6 s SER 13 N -2.03 0.35 0.38 2.44 1.04 -1.26 -5.17 113.70 109.45 1uh6 s SER 13 Ca -0.04 -0.86 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 1uh6 s SER 13 Cb -0.05 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.37 1uh6 s SER 13 CO -0.02 -0.64 0.77 -0.83 0.98 0.00 0.00 173.24 173.50 1uh6 s GLY 14 N -2.85 0.45 -0.22 7.32 0.00 -1.26 -5.19 107.32 105.58 1uh6 s GLY 14 Ca 0.06 -0.81 -0.35 0.00 0.00 0.00 0.00 44.72 43.62 1uh6 s GLY 14 CO -0.10 -0.36 1.25 0.00 0.00 0.00 0.00 173.10 173.88 1uh6 s ALA 15 N -2.36 -2.09 -0.34 3.20 0.00 -1.26 -5.14 121.76 113.77 1uh6 s ALA 15 Ca 0.17 1.68 0.06 0.00 0.00 0.00 0.00 51.96 53.87 1uh6 s ALA 15 Cb -0.05 -0.31 0.19 0.00 0.00 0.00 0.00 23.12 22.95 1uh6 s ALA 15 CO 0.12 -0.54 0.58 -1.54 0.00 0.00 0.00 175.76 174.38 1uh6 s SER 16 N -2.01 -1.30 0.26 0.00 1.04 -1.26 -5.15 113.70 105.28 1uh6 s SER 16 Ca 0.09 -0.30 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 1uh6 s SER 16 Cb -0.01 1.87 -0.09 0.00 0.10 0.00 0.00 66.02 67.89 1uh6 s SER 16 CO -0.04 -0.25 0.83 -0.76 0.98 0.00 0.00 173.24 173.99 1uh6 s LEU 17 N 2.37 4.38 -0.29 2.42 2.01 -1.26 -5.05 118.68 123.26 1uh6 s LEU 17 Ca 0.13 1.63 -0.16 0.00 0.01 0.00 0.00 54.13 55.74 1uh6 s LEU 17 Cb -0.08 -3.73 0.17 0.00 0.01 0.00 0.00 46.19 42.56 1uh6 s LEU 17 CO -0.18 0.01 1.10 0.54 1.01 0.00 0.00 176.35 178.83 1uh6 s VAL 18 N -1.51 -0.02 0.00 -1.59 0.11 -1.26 -5.18 120.40 110.95 1uh6 s VAL 18 Ca 0.45 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1uh6 s VAL 18 Cb -0.18 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1uh6 s VAL 18 CO 0.23 0.00 0.00 -0.81 -3.33 0.00 0.00 175.10 171.19 1uh6 n PRO 19 N 3.53 0.11 -3.21 1.54 -0.04 -1.26 -5.09 135.00 130.58 1uh6 n PRO 19 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 1uh6 n PRO 19 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1uh6 n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1uh6 s ARG 20 N -1.79 0.50 0.00 0.54 3.52 -1.26 -5.10 118.95 115.36 1uh6 s ARG 20 Ca 0.00 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1uh6 s ARG 20 Cb 0.00 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 1uh6 s ARG 20 CO 0.00 -0.96 0.00 0.41 -0.81 0.00 0.00 175.30 173.94 1uh6 n GLY 21 N 5.40 2.05 3.39 8.12 0.00 -1.26 -2.24 105.19 120.66 1uh6 n GLY 21 Ca 0.02 0.20 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1uh6 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uh6 s SER 22 N -3.63 7.10 0.00 1.61 0.15 -1.26 -4.82 113.70 112.85 1uh6 s SER 22 Ca 0.00 -3.11 0.00 0.00 0.70 0.00 0.00 55.95 53.54 1uh6 s SER 22 Cb 0.00 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1uh6 s SER 22 CO 0.00 -0.57 0.00 -0.62 1.20 0.00 0.00 173.24 173.25 1uh6 n GLU 23 N 4.31 0.00 0.00 5.44 -0.58 -0.95 -4.86 120.64 124.00 1uh6 n GLU 23 Ca 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1uh6 n GLU 23 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uh6 n GLY 24 N 0.00 1.13 3.85 0.62 0.00 -1.24 -4.36 105.19 105.19 1uh6 n GLY 24 Ca 0.00 0.33 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 3.19 0.04 4.61 0.00 -1.26 -4.73 121.76 122.61 1uh6 s ALA 25 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1uh6 s ALA 25 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1uh6 s ALA 25 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 175.76 175.78 1uh6 n ALA 26 N -1.06 -1.93 -2.65 0.00 0.00 -1.26 -4.99 120.51 108.62 1uh6 n ALA 26 Ca 0.05 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.69 1uh6 n ALA 26 Cb 0.54 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.56 5.11 -0.16 0.00 2.01 -1.26 -4.84 115.64 115.94 1uh6 s THR 27 Ca 0.00 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 1uh6 s THR 27 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1uh6 s THR 27 CO 0.00 -0.39 0.09 -0.04 -0.69 0.00 0.00 174.62 173.59 1uh6 s MET 28 N -3.85 3.78 -0.06 4.92 -1.94 -1.26 -1.07 119.30 119.83 1uh6 s MET 28 Ca 0.40 -0.27 -0.07 0.00 -1.71 0.00 0.00 55.69 54.05 1uh6 s MET 28 Cb -0.10 -3.21 0.02 0.00 2.01 0.00 0.00 34.83 33.55 1uh6 s MET 28 CO 0.32 0.46 0.18 0.96 -0.01 0.00 0.00 175.02 176.93 1uh6 s ILE 29 N -0.13 0.02 -0.23 2.53 -4.36 -0.91 -4.99 121.20 113.13 1uh6 s ILE 29 Ca 0.08 -0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 60.24 1uh6 s ILE 29 Cb -0.12 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.24 1uh6 s ILE 29 CO 0.01 -0.08 0.14 -0.70 0.24 0.00 0.00 174.94 174.55 1uh6 s GLU 30 N -0.20 4.01 0.43 0.37 2.12 -1.26 -3.19 118.70 120.98 1uh6 s GLU 30 Ca -0.03 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.07 1uh6 s GLU 30 Cb -0.03 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1uh6 s GLU 30 CO 0.01 0.06 0.36 0.14 -0.54 0.00 0.00 175.26 175.29 1uh6 s VAL 31 N 1.03 2.48 -0.03 3.70 -7.23 -1.22 0.19 120.40 119.32 1uh6 s VAL 31 Ca 0.07 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1uh6 s VAL 31 Cb -0.14 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 1uh6 s VAL 31 CO 0.04 0.00 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.95 1uh6 s VAL 32 N -2.53 1.50 -0.32 1.32 1.01 0.02 -2.98 120.40 118.42 1uh6 s VAL 32 Ca 0.46 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1uh6 s VAL 32 Cb -0.02 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.16 1uh6 s VAL 32 CO 0.27 0.43 0.03 0.00 0.00 0.00 0.00 175.10 175.83 1uh6 s ASN 34 N 1.31 6.63 0.66 0.00 0.01 -0.65 -2.33 114.94 120.57 1uh6 s ASN 34 Ca -0.01 0.44 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 1uh6 s ASN 34 Cb -0.20 -2.53 0.10 0.00 0.41 0.00 0.00 41.25 39.03 1uh6 s ASN 34 CO -0.03 -1.19 0.91 1.51 -1.51 0.00 0.00 177.10 176.80 1uh6 s ASP 35 N 2.36 4.65 0.34 -1.22 1.47 -1.25 0.74 116.67 123.76 1uh6 s ASP 35 Ca 0.46 -0.42 0.07 0.00 1.18 0.00 0.00 52.55 53.83 1uh6 s ASP 35 Cb -0.08 -0.07 0.62 0.00 -0.34 0.00 0.00 42.92 43.05 1uh6 s ASP 35 CO 0.30 -1.64 1.83 0.03 0.68 0.00 0.00 175.17 176.37 1uh6 h ARG 36 N -0.28 0.32 0.00 2.11 3.08 -1.92 -1.56 114.38 116.13 1uh6 h ARG 36 Ca -0.36 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1uh6 h ARG 36 Cb 1.28 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1uh6 h ARG 36 CO 0.42 0.51 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.69 1uh6 h LEU 37 N 0.30 0.00 0.00 3.04 -0.00 -1.97 -3.45 115.31 113.23 1uh6 h LEU 37 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1uh6 h LEU 37 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1uh6 h LEU 37 CO 0.03 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.15 1uh6 n GLY 38 N -1.09 1.72 3.74 0.83 0.00 -0.59 -5.04 105.19 104.77 1uh6 n GLY 38 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.79 4.42 -0.01 1.61 -2.85 -1.26 -4.77 119.74 116.08 1uh6 s LYS 39 Ca 0.00 1.99 -0.30 0.00 -1.00 0.00 0.00 55.97 56.66 1uh6 s LYS 39 Cb 0.00 -3.22 -0.03 0.00 -2.06 0.00 0.00 37.83 32.52 1uh6 s LYS 39 CO 0.00 -0.21 1.03 0.15 0.10 0.00 0.00 175.35 176.41 1uh6 s LYS 40 N -0.05 4.51 -0.41 1.78 1.02 -1.26 -3.74 119.74 121.59 1uh6 s LYS 40 Ca 0.56 1.48 0.01 0.00 0.02 0.00 0.00 55.97 58.04 1uh6 s LYS 40 Cb -0.35 -3.46 0.11 0.00 -0.52 0.00 0.00 37.83 33.61 1uh6 s LYS 40 CO 0.37 -0.14 0.16 0.08 -0.92 0.00 0.00 175.35 174.90 1uh6 s VAL 41 N 1.23 2.78 0.06 3.17 1.01 -0.98 -4.93 120.40 122.73 1uh6 s VAL 41 Ca 0.53 -2.41 -0.21 0.00 0.00 0.00 0.00 61.98 59.88 1uh6 s VAL 41 Cb -0.22 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 1uh6 s VAL 41 CO 0.26 -0.68 0.63 -0.13 0.00 0.00 0.00 175.10 175.19 1uh6 s ARG 42 N 0.77 4.34 -0.01 2.72 0.52 -1.26 -1.35 118.95 124.68 1uh6 s ARG 42 Ca 0.11 0.84 0.02 0.00 -0.52 0.00 0.00 55.73 56.18 1uh6 s ARG 42 Cb -0.21 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 31.96 1uh6 s ARG 42 CO -0.05 0.49 -0.05 0.08 0.02 0.00 0.00 175.30 175.78 1uh6 s VAL 43 N -0.65 0.43 0.11 3.52 1.01 -1.16 -5.01 120.40 118.65 1uh6 s VAL 43 Ca 0.32 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1uh6 s VAL 43 Cb -0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.74 1uh6 s VAL 43 CO 0.20 0.14 0.97 -0.54 0.00 0.00 0.00 175.10 175.86 1uh6 s LYS 44 N 0.09 4.69 0.29 2.72 1.02 -1.26 -3.38 119.74 123.92 1uh6 s LYS 44 Ca -0.01 1.46 -0.12 0.00 0.02 0.00 0.00 55.97 57.32 1uh6 s LYS 44 Cb -0.05 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1uh6 s LYS 44 CO -0.00 0.20 0.55 0.00 -0.92 0.00 0.00 175.35 175.18 1uh6 s ASN 46 N -3.07 3.25 0.49 0.00 0.01 -1.26 -2.14 114.94 112.22 1uh6 s ASN 46 Ca 0.22 -1.18 0.28 0.00 -0.71 0.00 0.00 52.86 51.47 1uh6 s ASN 46 Cb -0.02 -0.26 1.05 0.00 0.41 0.00 0.00 41.25 42.44 1uh6 s ASN 46 CO 0.12 -0.26 1.87 0.71 -1.51 0.00 0.00 177.10 178.03 1uh6 h THR 47 N 2.16 0.25 0.00 1.60 1.35 -1.42 -2.46 112.91 114.39 1uh6 h THR 47 Ca -0.41 -0.85 -0.07 0.00 -0.55 0.00 0.00 66.41 64.53 1uh6 h THR 47 Cb 1.24 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1uh6 h THR 47 CO 0.68 0.10 -0.32 -0.78 -0.25 0.00 0.00 175.52 174.96 1uh6 h ASP 48 N 0.00 0.00 -3.87 5.36 3.58 -1.92 -3.35 116.42 116.22 1uh6 h ASP 48 Ca -0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 1uh6 h ASP 48 Cb 0.68 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.79 1uh6 h ASP 48 CO 0.01 0.32 0.24 -1.81 -2.88 0.00 0.00 179.24 175.12 1uh6 s ASP 49 N -6.54 5.58 0.37 2.28 1.01 -0.93 -5.00 116.67 113.45 1uh6 s ASP 49 Ca -0.02 0.83 0.08 0.00 0.71 0.00 0.00 52.55 54.16 1uh6 s ASP 49 Cb 0.13 -1.79 -0.06 0.00 1.01 0.00 0.00 42.92 42.21 1uh6 s ASP 49 CO 0.68 -1.12 0.06 0.42 0.21 0.00 0.00 175.17 175.42 1uh6 s THR 50 N -3.08 2.46 0.21 -1.27 -4.23 -1.26 -3.58 115.64 104.89 1uh6 s THR 50 Ca 0.55 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 1uh6 s THR 50 Cb -0.11 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1uh6 s THR 50 CO 0.47 -0.12 1.57 0.40 -0.54 0.00 0.00 174.62 176.40 1uh6 h ILE 51 N 1.69 0.10 -0.69 2.99 1.08 -1.77 0.21 117.51 121.11 1uh6 h ILE 51 Ca -0.43 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.16 1uh6 h ILE 51 Cb 1.25 0.10 -0.12 0.00 -3.07 0.00 0.00 36.82 34.97 1uh6 h ILE 51 CO 0.70 0.00 -0.36 1.23 -0.69 0.00 0.00 178.15 179.03 1uh6 h GLY 52 N -0.09 -0.10 0.33 5.37 0.00 -1.79 0.49 103.07 107.28 1uh6 h GLY 52 Ca 0.29 0.47 0.11 0.00 0.00 0.00 0.00 47.33 48.19 1uh6 h GLY 52 CO -0.82 -0.20 0.26 -0.55 0.00 0.00 0.00 176.54 175.23 1uh6 h ASP 53 N -0.13 0.26 -0.29 0.19 3.32 -0.96 -0.27 116.42 118.56 1uh6 h ASP 53 Ca 0.26 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.44 1uh6 h ASP 53 Cb 0.56 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1uh6 h ASP 53 CO -0.76 0.14 0.04 0.25 -1.72 0.00 0.00 179.24 177.19 1uh6 h LEU 54 N 0.44 -0.03 -0.42 1.55 5.85 0.11 -1.94 115.31 120.87 1uh6 h LEU 54 Ca 0.34 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.20 1uh6 h LEU 54 Cb 0.44 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 1uh6 h LEU 54 CO -0.33 0.02 -0.24 0.11 -0.34 0.00 0.00 178.44 177.66 1uh6 h LYS 55 N 0.14 -0.15 -0.54 1.25 1.57 0.10 0.33 116.57 119.27 1uh6 h LYS 55 Ca 0.14 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1uh6 h LYS 55 Cb 0.16 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 1uh6 h LYS 55 CO -0.20 -0.10 -0.48 0.87 -0.57 0.00 0.00 179.45 178.97 1uh6 h LYS 56 N -0.16 -0.26 0.15 3.15 1.57 -0.55 0.76 116.57 121.23 1uh6 h LYS 56 Ca 0.20 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1uh6 h LYS 56 Cb 0.47 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1uh6 h LYS 56 CO -0.52 -0.18 -0.30 -0.07 -0.57 0.00 0.00 179.45 177.82 1uh6 h LEU 57 N -0.27 -0.85 -0.56 2.94 3.38 -0.75 0.23 115.31 119.43 1uh6 h LEU 57 Ca 0.15 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1uh6 h LEU 57 Cb 0.57 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1uh6 h LEU 57 CO -0.66 -0.39 -0.39 0.40 0.09 0.00 0.00 178.44 177.48 1uh6 h ILE 58 N -0.54 0.13 -0.10 1.22 2.04 0.13 1.86 117.51 122.24 1uh6 h ILE 58 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1uh6 h ILE 58 Cb 0.55 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1uh6 h ILE 58 CO -0.15 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.08 1uh6 h ALA 59 N 0.75 1.89 0.05 1.87 0.00 0.10 1.17 119.26 125.10 1uh6 h ALA 59 Ca 0.19 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 1uh6 h ALA 59 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1uh6 h ALA 59 CO -0.67 -0.14 -1.05 0.00 0.00 0.00 0.00 179.25 177.40 1uh6 h ALA 60 N 1.92 0.31 0.08 0.00 0.00 0.55 1.48 119.26 123.60 1uh6 h ALA 60 Ca 0.05 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 1uh6 h ALA 60 Cb 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1uh6 h ALA 60 CO -0.00 0.97 -0.63 1.96 0.00 0.00 0.00 179.25 181.55 1uh6 h GLN 61 N 0.10 0.28 0.00 0.00 1.08 0.50 -3.33 115.11 113.74 1uh6 h GLN 61 Ca -0.08 -0.41 -0.19 0.00 -1.45 0.00 0.00 58.65 56.52 1uh6 h GLN 61 Cb 1.73 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 29.28 1uh6 h GLN 61 CO 0.17 1.16 -1.07 1.79 -0.95 0.00 0.00 178.83 179.92 1uh6 h THR 62 N -0.39 1.09 0.00 -0.54 1.35 0.12 -3.48 112.91 111.06 1uh6 h THR 62 Ca -0.10 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 1uh6 h THR 62 Cb 1.44 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 1uh6 h THR 62 CO 0.12 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1uh6 n GLY 63 N 1.36 2.86 3.16 5.82 0.00 0.50 -5.03 105.19 113.86 1uh6 n GLY 63 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 0.00 -3.35 2.61 -2.24 -0.46 -4.76 114.28 105.15 1uh6 n THR 64 Ca 0.00 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 1uh6 n THR 64 Cb 0.00 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.98 4.14 0.65 -0.78 0.52 -1.26 -4.26 118.95 113.99 1uh6 s ARG 65 Ca 0.51 0.57 0.38 0.00 -0.52 0.00 0.00 55.73 56.67 1uh6 s ARG 65 Cb -0.10 -3.28 2.10 0.00 0.52 0.00 0.00 34.95 34.18 1uh6 s ARG 65 CO 0.49 0.54 2.22 0.11 0.02 0.00 0.00 175.30 178.67 1uh6 h TRP 66 N 5.13 0.00 -0.65 -0.53 5.08 -1.85 0.97 115.95 124.11 1uh6 h TRP 66 Ca -0.48 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.33 1uh6 h TRP 66 Cb 1.21 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 27.27 1uh6 h TRP 66 CO 0.68 0.00 0.20 0.27 -1.28 0.00 0.00 178.44 178.31 1uh6 n ASN 67 N -3.17 4.78 -2.45 0.11 0.23 -1.26 -4.02 115.26 109.48 1uh6 n ASN 67 Ca -0.02 -3.05 0.00 0.00 -0.53 0.00 0.00 54.58 50.98 1uh6 n ASN 67 Cb 0.18 -0.72 0.05 0.00 -2.08 0.00 0.00 39.78 37.21 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1uh6 n LYS 68 N 0.05 1.23 -4.18 -3.83 5.02 0.34 -4.79 118.16 112.01 1uh6 n LYS 68 Ca 0.35 -2.75 -0.20 0.00 -2.02 0.00 0.00 58.31 53.70 1uh6 n LYS 68 Cb 1.27 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 35.23 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 -2.27 0.53 -0.07 -0.18 1.01 -1.22 -3.25 121.20 115.75 1uh6 s ILE 69 Ca 0.25 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1uh6 s ILE 69 Cb 0.34 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 42.27 1uh6 s ILE 69 CO -0.08 0.22 -0.14 -0.69 0.00 0.00 0.00 174.94 174.25 1uh6 s VAL 70 N 0.84 1.25 -0.30 2.92 1.01 -0.36 -4.90 120.40 120.87 1uh6 s VAL 70 Ca -0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1uh6 s VAL 70 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1uh6 s VAL 70 CO 0.00 0.38 0.08 -0.76 0.00 0.00 0.00 175.10 174.80 1uh6 s LEU 71 N 0.65 3.86 0.11 3.92 2.01 -1.26 -0.64 118.68 127.32 1uh6 s LEU 71 Ca -0.15 -0.72 0.09 0.00 0.01 0.00 0.00 54.13 53.37 1uh6 s LEU 71 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1uh6 s LEU 71 CO 0.04 -0.19 -0.24 -0.54 1.01 0.00 0.00 176.35 176.43 1uh6 s LYS 72 N 1.49 1.29 -0.27 1.70 1.02 -0.38 -0.73 119.74 123.86 1uh6 s LYS 72 Ca 0.02 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1uh6 s LYS 72 Cb -0.17 -1.64 0.08 0.00 -0.52 0.00 0.00 37.83 35.58 1uh6 s LYS 72 CO 0.02 0.39 0.03 0.21 -0.92 0.00 0.00 175.35 175.08 1uh6 s LYS 73 N -1.90 1.13 0.00 1.68 2.47 0.69 0.17 119.74 123.97 1uh6 s LYS 73 Ca 0.10 -1.07 0.00 0.00 -1.56 0.00 0.00 55.97 53.44 1uh6 s LYS 73 Cb -0.10 -2.40 0.00 0.00 -1.46 0.00 0.00 37.83 33.87 1uh6 s LYS 73 CO 0.05 -0.80 0.00 0.91 0.16 0.00 0.00 175.35 175.67 1uh6 n TRP 74 N 4.73 0.00 0.00 4.03 7.02 -1.26 -2.07 117.44 129.89 1uh6 n TRP 74 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1uh6 n TRP 74 Cb 0.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 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 -1.91 -5.99 4.01 -1.26 -5.10 117.16 106.92 1uh6 n TYR 75 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1uh6 n TYR 75 Cb 0.00 0.20 0.05 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.54 2.46 0.05 -0.72 2.01 -0.88 -5.02 115.64 111.99 1uh6 s THR 76 Ca 0.00 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1uh6 s THR 76 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1uh6 s THR 76 CO 0.00 -0.07 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.21 1uh6 s ILE 77 N -1.57 3.94 -0.34 1.82 1.09 -1.26 -0.22 121.20 124.66 1uh6 s ILE 77 Ca 0.79 -0.84 -0.17 0.00 -1.10 0.00 0.00 60.65 59.32 1uh6 s ILE 77 Cb -0.32 -2.81 -0.01 0.00 -1.06 0.00 0.00 42.46 38.26 1uh6 s ILE 77 CO 0.36 0.25 0.46 -0.36 -0.10 0.00 0.00 174.94 175.55 1uh6 s PHE 78 N -1.17 3.20 1.00 3.97 0.40 0.09 -4.95 117.98 120.51 1uh6 s PHE 78 Ca 0.22 0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.60 1uh6 s PHE 78 Cb -0.11 -2.82 0.19 0.00 0.51 0.00 0.00 43.02 40.78 1uh6 s PHE 78 CO 0.13 -0.47 1.08 0.15 0.70 0.00 0.00 175.22 176.81 1uh6 s LYS 79 N 2.27 0.42 0.00 0.44 -0.14 -1.26 -4.63 119.74 116.83 1uh6 s LYS 79 Ca 0.17 0.87 0.24 0.00 -1.36 0.00 0.00 55.97 55.89 1uh6 s LYS 79 Cb -0.16 -1.71 0.19 0.00 -1.68 0.00 0.00 37.83 34.48 1uh6 s LYS 79 CO 0.12 -2.83 1.22 -0.40 -0.76 0.00 0.00 175.35 172.70 1uh6 n ASP 80 N -4.30 1.84 0.01 2.83 5.68 -1.26 -3.91 116.55 117.44 1uh6 n ASP 80 Ca 0.06 -1.40 0.11 0.00 -0.50 0.00 0.00 54.79 53.06 1uh6 n ASP 80 Cb 0.55 0.37 -0.13 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.10 0.12 -3.17 2.11 1.44 -1.26 -3.80 115.22 110.56 1uh6 n HIS 81 Ca 0.10 0.04 -0.40 0.00 -2.01 0.00 0.00 57.72 55.45 1uh6 n HIS 81 Cb 0.45 -0.47 -0.07 0.00 0.12 0.00 0.00 29.99 30.02 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 -3.40 5.03 0.98 0.61 1.01 -1.25 -5.00 120.40 118.38 1uh6 s VAL 82 Ca -0.04 1.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 1uh6 s VAL 82 Cb 0.14 -3.88 0.18 0.00 0.00 0.00 0.00 36.38 32.82 1uh6 s VAL 82 CO 0.88 0.06 1.13 -0.94 0.00 0.00 0.00 175.10 176.23 1uh6 s SER 83 N 1.49 2.83 0.16 3.32 1.04 -1.26 -3.46 113.70 117.82 1uh6 s SER 83 Ca 0.24 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.57 1uh6 s SER 83 Cb -0.16 -1.49 0.02 0.00 0.10 0.00 0.00 66.02 64.49 1uh6 s SER 83 CO 0.09 -2.97 1.42 -0.07 0.98 0.00 0.00 173.24 172.69 1uh6 h LEU 84 N -1.79 0.64 -0.47 2.42 4.07 -1.73 -2.70 115.31 115.76 1uh6 h LEU 84 Ca -0.51 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.05 1uh6 h LEU 84 Cb 1.32 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1uh6 h LEU 84 CO 0.56 1.15 0.00 0.61 -1.08 0.00 0.00 178.44 179.68 1uh6 n GLY 85 N 0.51 -0.83 0.09 0.83 0.00 -1.26 -0.21 105.19 104.33 1uh6 n GLY 85 Ca -0.05 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 0.05 0.86 1.61 5.19 -1.83 -3.33 116.42 118.97 1uh6 h ASP 86 Ca 0.00 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 1uh6 h ASP 86 Cb 0.12 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1uh6 h ASP 86 CO 0.00 1.32 0.00 -1.22 -3.12 0.00 0.00 179.24 176.22 1uh6 n TYR 87 N -4.43 0.00 -1.48 4.55 4.01 -0.87 -4.88 117.16 114.06 1uh6 n TYR 87 Ca -0.23 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.40 1uh6 n TYR 87 Cb 0.63 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.46 -0.79 -1.68 -0.72 1.02 0.70 -4.88 120.64 112.85 1uh6 n GLU 88 Ca 0.08 0.83 -0.64 0.00 -0.02 0.00 0.00 57.16 57.41 1uh6 n GLU 88 Cb 0.30 -4.82 -0.09 0.00 -0.02 0.00 0.00 31.44 26.82 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 -2.91 0.04 -3.41 -3.67 5.41 -0.82 -4.90 119.36 109.09 1uh6 n ILE 89 Ca -0.11 -0.01 -0.28 0.00 1.00 0.00 0.00 62.75 63.35 1uh6 n ILE 89 Cb 0.40 -0.50 -0.03 0.00 -0.71 0.00 0.00 39.64 38.81 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 2.21 3.48 -0.23 1.39 3.76 -1.26 -4.90 115.29 119.73 1uh6 s HIS 90 Ca 1.00 0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 1uh6 s HIS 90 Cb -1.36 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 1uh6 s HIS 90 CO 0.72 0.21 1.92 0.34 -0.85 0.00 0.00 174.74 177.08 1uh6 s ASP 91 N -3.19 5.90 0.00 1.40 -1.08 -1.26 -1.38 116.67 117.06 1uh6 s ASP 91 Ca 0.43 1.70 0.00 0.00 -0.52 0.00 0.00 52.55 54.16 1uh6 s ASP 91 Cb -0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1uh6 s ASP 91 CO 0.30 -1.64 0.00 0.61 0.52 0.00 0.00 175.17 174.96 1uh6 n GLY 92 N 5.30 1.21 3.71 2.66 0.00 0.49 -4.86 105.19 113.70 1uh6 n GLY 92 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1uh6 n GLY 92 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1uh6 n MET 93 N -0.59 1.97 -3.93 1.61 0.00 -0.48 -4.69 117.12 111.02 1uh6 n MET 93 Ca 0.00 0.70 -0.35 0.00 -0.00 0.00 0.00 57.70 58.05 1uh6 n MET 93 Cb 0.00 -2.44 -0.14 0.00 0.00 0.00 0.00 33.22 30.64 1uh6 n MET 93 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1uh6 s ASN 94 N -0.55 4.29 0.05 6.12 0.01 -1.26 -0.80 114.94 122.81 1uh6 s ASN 94 Ca 0.62 -0.63 0.07 0.00 -0.71 0.00 0.00 52.86 52.20 1uh6 s ASN 94 Cb -0.49 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 1uh6 s ASN 94 CO 0.57 -0.08 -0.20 -0.76 -1.51 0.00 0.00 177.10 175.13 1uh6 s LEU 95 N 1.41 2.19 -0.34 0.60 1.02 -1.10 -4.92 118.68 117.54 1uh6 s LEU 95 Ca 0.03 -0.54 -0.29 0.00 0.02 0.00 0.00 54.13 53.36 1uh6 s LEU 95 Cb -0.15 -0.91 -0.00 0.00 0.02 0.00 0.00 46.19 45.15 1uh6 s LEU 95 CO -0.04 0.13 1.45 -1.61 0.02 0.00 0.00 176.35 176.30 1uh6 s GLU 96 N -1.28 3.69 -0.13 1.70 2.02 0.44 -1.64 118.70 123.50 1uh6 s GLU 96 Ca 0.06 1.20 -0.22 0.00 0.02 0.00 0.00 54.97 56.04 1uh6 s GLU 96 Cb -0.09 -4.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 1uh6 s GLU 96 CO 0.02 -1.42 0.64 -1.17 0.02 0.00 0.00 175.26 173.36 1uh6 s LEU 97 N 5.22 4.24 0.33 1.80 2.96 0.23 -1.25 118.68 132.21 1uh6 s LEU 97 Ca 0.63 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 1uh6 s LEU 97 Cb -0.17 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1uh6 s LEU 97 CO 0.29 -0.17 0.11 -0.31 -1.32 0.00 0.00 176.35 174.95 1uh6 s TYR 98 N 1.24 1.76 -0.04 5.38 2.02 0.18 -4.34 117.35 123.56 1uh6 s TYR 98 Ca 0.32 -1.17 0.02 0.00 -0.37 0.00 0.00 57.07 55.87 1uh6 s TYR 98 Cb -0.16 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1uh6 s TYR 98 CO 0.13 -0.25 -0.10 0.71 -1.57 0.00 0.00 175.55 174.48 1uh6 s TYR 99 N -3.42 1.12 -2.00 2.71 2.02 -1.26 -1.22 117.35 115.30 1uh6 s TYR 99 Ca 0.33 -0.33 0.19 0.00 -0.37 0.00 0.00 57.07 56.89 1uh6 s TYR 99 Cb 0.06 -0.82 1.16 0.00 -0.40 0.00 0.00 41.96 41.96 1uh6 s TYR 99 CO 0.15 -0.17 1.55 1.04 -1.57 0.00 0.00 175.55 176.55