#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uh6 n LYS 2 N 0.00 -2.65 -0.20 3.17 4.01 -1.26 -5.09 118.16 116.15 1uh6 n LYS 2 Ca 0.00 2.15 0.00 0.00 -0.51 0.00 0.00 58.31 59.95 1uh6 n LYS 2 Cb 0.00 -3.00 0.00 0.00 -0.51 0.00 0.00 35.03 31.52 1uh6 n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uh6 n GLY 3 N -3.56 2.33 3.25 0.72 0.00 -1.26 -5.19 105.19 101.48 1uh6 n GLY 3 Ca -0.06 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 1.53 0.12 0.23 1.61 1.04 -1.26 -5.18 113.70 111.79 1uh6 s SER 4 Ca 0.00 -1.31 -0.18 0.00 0.48 0.00 0.00 55.95 54.94 1uh6 s SER 4 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1uh6 s SER 4 CO 0.00 -0.88 0.58 -0.55 0.98 0.00 0.00 173.24 173.37 1uh6 s SER 5 N -3.13 -0.24 0.32 7.02 0.15 -1.26 -5.19 113.70 111.38 1uh6 s SER 5 Ca 0.36 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1uh6 s SER 5 Cb 0.06 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1uh6 s SER 5 CO 0.11 -1.17 0.11 -1.00 1.20 0.00 0.00 173.24 172.49 1uh6 s HIS 6 N -3.92 1.73 -0.05 3.44 3.76 -1.26 -5.16 115.29 113.84 1uh6 s HIS 6 Ca 0.12 -1.20 0.01 0.00 -0.15 0.00 0.00 55.06 53.84 1uh6 s HIS 6 Cb -0.03 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.63 1uh6 s HIS 6 CO 0.03 -0.29 -0.04 -1.58 -0.85 0.00 0.00 174.74 172.01 1uh6 s HIS 7 N -3.46 0.76 -0.30 1.40 2.46 -1.26 -5.09 115.29 109.80 1uh6 s HIS 7 Ca 0.33 -0.22 -0.15 0.00 0.47 0.00 0.00 55.06 55.50 1uh6 s HIS 7 Cb 0.06 -0.69 0.18 0.00 -0.13 0.00 0.00 32.58 32.00 1uh6 s HIS 7 CO 0.15 -0.21 1.13 -1.01 -2.47 0.00 0.00 174.74 172.34 1uh6 s HIS 8 N 1.00 -0.29 -0.17 3.88 3.76 -1.26 -5.17 115.29 117.03 1uh6 s HIS 8 Ca -0.10 0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 54.74 1uh6 s HIS 8 Cb -0.14 0.08 0.14 0.00 1.11 0.00 0.00 32.58 33.77 1uh6 s HIS 8 CO -0.00 -0.17 1.13 -1.58 -0.85 0.00 0.00 174.74 173.27 1uh6 s HIS 9 N 2.97 -0.21 0.02 1.40 5.04 -1.26 -5.18 115.29 118.07 1uh6 s HIS 9 Ca 0.10 0.23 -0.22 0.00 -1.54 0.00 0.00 55.06 53.63 1uh6 s HIS 9 Cb -0.05 0.50 0.05 0.00 0.04 0.00 0.00 32.58 33.11 1uh6 s HIS 9 CO -0.15 -0.26 0.50 -1.58 -2.34 0.00 0.00 174.74 170.91 1uh6 s HIS 10 N -1.96 -0.41 -0.29 3.88 2.46 -1.26 -5.16 115.29 112.54 1uh6 s HIS 10 Ca 0.06 0.54 -0.14 0.00 0.47 0.00 0.00 55.06 55.99 1uh6 s HIS 10 Cb -0.01 0.30 0.14 0.00 -0.13 0.00 0.00 32.58 32.88 1uh6 s HIS 10 CO -0.04 -0.58 0.86 -1.01 -2.47 0.00 0.00 174.74 171.49 1uh6 s HIS 11 N -2.00 -0.86 -0.19 3.88 3.76 -1.26 -5.14 115.29 113.48 1uh6 s HIS 11 Ca -0.08 1.58 -0.02 0.00 -0.15 0.00 0.00 55.06 56.39 1uh6 s HIS 11 Cb -0.01 0.52 0.06 0.00 1.11 0.00 0.00 32.58 34.25 1uh6 s HIS 11 CO 0.02 -0.43 0.01 -1.12 -0.85 0.00 0.00 174.74 172.37 1uh6 s SER 12 N 2.11 2.99 0.72 1.40 0.01 -1.26 -5.13 113.70 114.53 1uh6 s SER 12 Ca -0.06 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.26 1uh6 s SER 12 Cb -0.07 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.47 1uh6 s SER 12 CO -0.17 -0.28 1.07 -0.55 0.41 0.00 0.00 173.24 173.72 1uh6 s SER 13 N 1.76 5.24 -0.08 2.44 0.15 -1.26 -5.05 113.70 116.90 1uh6 s SER 13 Ca -0.01 1.49 -0.03 0.00 0.70 0.00 0.00 55.95 58.09 1uh6 s SER 13 Cb -0.17 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1uh6 s SER 13 CO -0.07 -1.52 0.07 -0.83 1.20 0.00 0.00 173.24 172.09 1uh6 s GLY 14 N -3.90 2.00 0.26 9.45 0.00 -1.26 -5.09 107.32 108.78 1uh6 s GLY 14 Ca 0.58 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1uh6 s GLY 14 CO 0.54 -0.55 0.94 0.00 0.00 0.00 0.00 173.10 174.03 1uh6 s ALA 15 N -1.02 3.31 0.04 3.20 0.00 -1.26 -5.02 121.76 121.01 1uh6 s ALA 15 Ca 0.16 0.60 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 1uh6 s ALA 15 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1uh6 s ALA 15 CO 0.06 0.19 0.85 -1.54 0.00 0.00 0.00 175.76 175.32 1uh6 s SER 16 N -1.29 7.29 1.05 0.00 1.04 -1.26 -5.04 113.70 115.50 1uh6 s SER 16 Ca 0.43 1.55 -0.12 0.00 0.48 0.00 0.00 55.95 58.29 1uh6 s SER 16 Cb -0.24 -2.51 0.22 0.00 0.10 0.00 0.00 66.02 63.59 1uh6 s SER 16 CO 0.30 -0.06 1.07 -1.48 0.98 0.00 0.00 173.24 174.05 1uh6 s LEU 17 N 0.21 1.36 -0.38 2.42 2.34 -1.26 -4.95 118.68 118.42 1uh6 s LEU 17 Ca 0.43 1.32 -0.24 0.00 0.06 0.00 0.00 54.13 55.70 1uh6 s LEU 17 Cb -0.21 -3.42 0.01 0.00 -0.56 0.00 0.00 46.19 42.01 1uh6 s LEU 17 CO 0.25 -3.51 0.83 -0.69 -1.06 0.00 0.00 176.35 172.17 1uh6 s VAL 18 N -2.78 4.67 -0.00 1.48 1.01 -1.26 -4.92 120.40 118.60 1uh6 s VAL 18 Ca 0.66 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 1uh6 s VAL 18 Cb -0.21 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.69 1uh6 s VAL 18 CO 0.60 -0.50 1.12 1.55 0.00 0.00 0.00 175.10 177.87 1uh6 h PRO 19 N 8.55 0.36 -6.40 2.72 0.13 -2.06 -3.45 132.00 131.85 1uh6 h PRO 19 Ca -0.24 -0.35 -0.70 0.00 -0.87 0.00 0.00 66.00 63.84 1uh6 h PRO 19 Cb 1.09 0.09 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 1uh6 h PRO 19 CO 0.94 1.02 -0.87 1.03 -0.23 0.00 0.00 178.00 179.89 1uh6 s ARG 20 N -3.34 2.30 0.09 0.86 3.00 -1.26 -5.13 118.95 115.46 1uh6 s ARG 20 Ca -0.14 -0.88 0.08 0.00 0.00 0.00 0.00 55.73 54.79 1uh6 s ARG 20 Cb 0.03 -2.14 -0.03 0.00 0.00 0.00 0.00 34.95 32.82 1uh6 s ARG 20 CO 0.80 0.52 -0.22 0.20 0.00 0.00 0.00 175.30 176.60 1uh6 s GLY 21 N -0.51 1.25 0.00 -3.53 0.00 -1.26 -5.13 107.32 98.14 1uh6 s GLY 21 Ca 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1uh6 s GLY 21 CO 0.00 -1.19 0.00 -1.26 0.00 0.00 0.00 173.10 170.65 1uh6 n SER 22 N 1.32 0.00 -4.71 1.64 2.88 -1.26 -5.14 113.62 108.34 1uh6 n SER 22 Ca -0.19 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.96 1uh6 n SER 22 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1uh6 n SER 22 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uh6 s GLU 23 N -2.00 4.42 0.00 -1.46 2.02 -1.26 -4.58 118.70 115.84 1uh6 s GLU 23 Ca 0.00 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.83 1uh6 s GLU 23 Cb 0.00 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1uh6 s GLU 23 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1uh6 n GLY 24 N 3.14 -0.36 3.13 -1.39 0.00 -1.26 -5.11 105.19 103.34 1uh6 n GLY 24 Ca -0.02 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.37 1.47 -0.35 4.61 0.00 -1.26 -5.09 121.76 120.77 1uh6 s ALA 25 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1uh6 s ALA 25 Cb 0.00 -0.47 0.13 0.00 0.00 0.00 0.00 23.12 22.78 1uh6 s ALA 25 CO 0.00 0.28 0.20 0.00 0.00 0.00 0.00 175.76 176.24 1uh6 s ALA 26 N -0.03 0.94 0.19 0.00 0.00 -1.26 -4.54 121.76 117.07 1uh6 s ALA 26 Ca -0.02 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 1uh6 s ALA 26 Cb -0.10 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1uh6 s ALA 26 CO 0.02 -2.03 0.41 0.99 0.00 0.00 0.00 175.76 175.14 1uh6 s THR 27 N 1.20 5.16 -0.03 0.00 2.01 -1.26 -4.87 115.64 117.85 1uh6 s THR 27 Ca 0.17 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 1uh6 s THR 27 Cb -0.22 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1uh6 s THR 27 CO -0.05 -0.11 0.57 -0.04 -0.69 0.00 0.00 174.62 174.30 1uh6 s MET 28 N -3.09 4.31 -0.16 4.92 -1.94 -1.26 -2.44 119.30 119.64 1uh6 s MET 28 Ca 0.40 0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 54.93 1uh6 s MET 28 Cb -0.11 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.41 1uh6 s MET 28 CO 0.27 0.33 0.42 0.96 -0.01 0.00 0.00 175.02 176.99 1uh6 s ILE 29 N -0.02 -0.01 -0.08 2.53 -4.36 -0.42 -4.95 121.20 113.89 1uh6 s ILE 29 Ca 0.30 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.58 1uh6 s ILE 29 Cb -0.18 -0.59 -0.05 0.00 1.25 0.00 0.00 42.46 42.89 1uh6 s ILE 29 CO 0.16 0.01 0.36 -0.70 0.24 0.00 0.00 174.94 175.01 1uh6 s GLU 30 N 0.57 4.05 0.21 0.37 2.12 -1.26 -2.21 118.70 122.55 1uh6 s GLU 30 Ca -0.03 0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.63 1uh6 s GLU 30 Cb -0.04 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1uh6 s GLU 30 CO -0.03 0.46 0.16 0.14 -0.54 0.00 0.00 175.26 175.45 1uh6 s VAL 31 N -0.28 4.42 -0.03 3.70 -7.23 -0.28 0.38 120.40 121.09 1uh6 s VAL 31 Ca 0.21 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1uh6 s VAL 31 Cb -0.15 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 1uh6 s VAL 31 CO 0.09 -0.24 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.72 1uh6 s VAL 32 N -1.96 2.28 -0.15 1.32 1.01 -0.69 -1.89 120.40 120.32 1uh6 s VAL 32 Ca 0.32 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1uh6 s VAL 32 Cb -0.09 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1uh6 s VAL 32 CO 0.24 0.58 -0.12 0.00 0.00 0.00 0.00 175.10 175.80 1uh6 s ASN 34 N 1.53 6.21 0.63 0.00 0.01 -0.87 -2.37 114.94 120.08 1uh6 s ASN 34 Ca 0.04 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.36 1uh6 s ASN 34 Cb -0.13 -2.25 0.11 0.00 0.41 0.00 0.00 41.25 39.39 1uh6 s ASN 34 CO -0.10 -0.72 0.75 -0.90 -1.51 0.00 0.00 177.10 174.62 1uh6 n ASP 35 N 5.80 1.11 -0.23 -1.22 5.68 -1.24 -1.07 116.55 125.37 1uh6 n ASP 35 Ca -0.07 -1.92 -0.02 0.00 -0.50 0.00 0.00 54.79 52.28 1uh6 n ASP 35 Cb 0.46 -0.48 0.18 0.00 -1.14 0.00 0.00 41.12 40.15 1uh6 n ASP 35 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1uh6 h ARG 36 N 0.00 1.04 0.00 0.11 2.47 -1.93 0.22 114.38 116.29 1uh6 h ARG 36 Ca -0.25 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1uh6 h ARG 36 Cb 0.94 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1uh6 h ARG 36 CO 0.28 0.76 -0.02 -0.07 0.56 0.00 0.00 179.97 181.48 1uh6 h LEU 37 N 1.05 0.00 0.00 3.04 -0.00 -1.99 -3.45 115.31 113.96 1uh6 h LEU 37 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1uh6 h LEU 37 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1uh6 h LEU 37 CO -0.04 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 1uh6 n GLY 38 N -0.90 2.18 3.76 0.83 0.00 0.06 -5.01 105.19 106.11 1uh6 n GLY 38 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.38 4.15 -0.39 1.61 -2.85 -1.26 -4.70 119.74 115.91 1uh6 s LYS 39 Ca 0.00 2.52 -0.21 0.00 -1.00 0.00 0.00 55.97 57.28 1uh6 s LYS 39 Cb 0.00 -3.01 0.01 0.00 -2.06 0.00 0.00 37.83 32.77 1uh6 s LYS 39 CO 0.00 -0.54 0.65 0.15 0.10 0.00 0.00 175.35 175.71 1uh6 s LYS 40 N -1.25 3.52 -0.57 1.78 1.02 -1.26 -3.70 119.74 119.28 1uh6 s LYS 40 Ca 0.57 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 56.28 1uh6 s LYS 40 Cb -0.46 -3.87 0.11 0.00 -0.52 0.00 0.00 37.83 33.09 1uh6 s LYS 40 CO 0.54 -0.86 0.63 0.08 -0.92 0.00 0.00 175.35 174.82 1uh6 s VAL 41 N 2.80 4.94 -0.16 3.17 1.01 -1.00 -4.90 120.40 126.27 1uh6 s VAL 41 Ca 0.24 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 1uh6 s VAL 41 Cb -0.14 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1uh6 s VAL 41 CO 0.17 -1.02 0.62 -0.13 0.00 0.00 0.00 175.10 174.74 1uh6 s ARG 42 N 2.34 4.28 -0.01 2.72 0.52 -1.26 -2.55 118.95 124.99 1uh6 s ARG 42 Ca 0.09 0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.99 1uh6 s ARG 42 Cb -0.26 -3.53 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 1uh6 s ARG 42 CO 0.06 -0.12 -0.14 0.08 0.02 0.00 0.00 175.30 175.20 1uh6 s VAL 43 N 1.48 1.10 -0.04 3.52 1.01 -0.79 -4.96 120.40 121.73 1uh6 s VAL 43 Ca 0.30 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1uh6 s VAL 43 Cb -0.16 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1uh6 s VAL 43 CO 0.12 0.31 0.57 -0.54 0.00 0.00 0.00 175.10 175.56 1uh6 s LYS 44 N -0.28 4.32 0.26 2.72 1.02 -1.26 -1.13 119.74 125.39 1uh6 s LYS 44 Ca 0.04 0.67 -0.13 0.00 0.02 0.00 0.00 55.97 56.57 1uh6 s LYS 44 Cb -0.06 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1uh6 s LYS 44 CO -0.00 0.28 0.51 0.00 -0.92 0.00 0.00 175.35 175.21 1uh6 s ASN 46 N -3.02 4.57 0.52 0.00 -0.87 -1.26 -1.31 114.94 113.57 1uh6 s ASN 46 Ca 0.22 -0.52 0.33 0.00 -1.57 0.00 0.00 52.86 51.32 1uh6 s ASN 46 Cb -0.01 -0.89 1.40 0.00 -0.02 0.00 0.00 41.25 41.73 1uh6 s ASN 46 CO 0.10 0.07 1.98 0.71 -2.57 0.00 0.00 177.10 177.38 1uh6 h THR 47 N 2.37 0.00 0.00 1.60 1.35 -1.81 -2.00 112.91 114.42 1uh6 h THR 47 Ca -0.46 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 64.89 1uh6 h THR 47 Cb 1.22 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1uh6 h THR 47 CO 0.58 0.00 -0.37 -0.78 -0.25 0.00 0.00 175.52 174.70 1uh6 h ASP 48 N 0.00 0.00 -4.22 5.36 3.58 -1.85 -3.32 116.42 115.97 1uh6 h ASP 48 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1uh6 h ASP 48 Cb 0.45 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.55 1uh6 h ASP 48 CO 0.00 0.37 0.36 -1.81 -2.88 0.00 0.00 179.24 175.27 1uh6 s ASP 49 N -6.58 6.03 0.27 2.28 1.01 -0.75 -4.98 116.67 113.95 1uh6 s ASP 49 Ca -0.01 1.24 0.09 0.00 0.71 0.00 0.00 52.55 54.57 1uh6 s ASP 49 Cb 0.12 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1uh6 s ASP 49 CO 0.69 -0.93 0.07 0.42 0.21 0.00 0.00 175.17 175.63 1uh6 s THR 50 N -3.14 3.76 0.35 -1.27 -4.23 -1.26 -3.75 115.64 106.10 1uh6 s THR 50 Ca 0.54 -1.73 0.15 0.00 -1.18 0.00 0.00 61.69 59.48 1uh6 s THR 50 Cb -0.11 -3.04 0.37 0.00 1.34 0.00 0.00 72.50 71.06 1uh6 s THR 50 CO 0.52 -0.35 1.58 0.40 -0.54 0.00 0.00 174.62 176.22 1uh6 h ILE 51 N 1.73 0.00 0.07 2.99 1.08 -1.58 0.27 117.51 122.08 1uh6 h ILE 51 Ca -0.46 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1uh6 h ILE 51 Cb 1.25 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1uh6 h ILE 51 CO 0.61 0.00 -0.09 1.23 -0.69 0.00 0.00 178.15 179.21 1uh6 h GLY 52 N 0.00 -0.89 0.19 5.37 0.00 -1.74 1.29 103.07 107.30 1uh6 h GLY 52 Ca 0.77 0.39 0.23 0.00 0.00 0.00 0.00 47.33 48.72 1uh6 h GLY 52 CO -0.82 -0.32 0.62 -0.55 0.00 0.00 0.00 176.54 175.47 1uh6 h ASP 53 N -0.17 0.36 0.23 0.19 3.32 -1.21 -1.07 116.42 118.07 1uh6 h ASP 53 Ca -0.01 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1uh6 h ASP 53 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1uh6 h ASP 53 CO -0.02 0.13 -0.11 0.25 -1.72 0.00 0.00 179.24 177.77 1uh6 h LEU 54 N 0.35 -0.26 -0.89 1.55 7.12 0.20 -2.85 115.31 120.53 1uh6 h LEU 54 Ca 0.49 0.01 0.29 0.00 0.13 0.00 0.00 57.88 58.80 1uh6 h LEU 54 Cb 1.32 0.07 -0.16 0.00 -0.53 0.00 0.00 40.66 41.36 1uh6 h LEU 54 CO -0.17 -0.14 0.17 0.29 -0.13 0.00 0.00 178.44 178.45 1uh6 n LYS 55 N -3.07 -0.06 -0.05 1.25 5.02 0.44 0.18 118.16 121.86 1uh6 n LYS 55 Ca -0.04 1.30 -0.09 0.00 -2.02 0.00 0.00 58.31 57.46 1uh6 n LYS 55 Cb 0.12 -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 -0.31 -0.01 1.97 1.57 -1.14 0.29 116.57 118.94 1uh6 h LYS 56 Ca 0.61 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.44 1uh6 h LYS 56 Cb 1.40 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.73 1uh6 h LYS 56 CO -0.79 -0.21 -0.52 -0.07 -0.57 0.00 0.00 179.45 177.30 1uh6 h LEU 57 N -0.32 -1.59 -0.35 2.94 3.38 0.22 0.69 115.31 120.27 1uh6 h LEU 57 Ca 0.13 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.33 1uh6 h LEU 57 Cb 0.53 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1uh6 h LEU 57 CO -0.43 -0.51 -0.56 0.40 0.09 0.00 0.00 178.44 177.43 1uh6 h ILE 58 N -0.65 0.00 -0.42 1.22 2.04 -0.76 1.63 117.51 120.58 1uh6 h ILE 58 Ca 0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.00 1uh6 h ILE 58 Cb 0.71 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1uh6 h ILE 58 CO -0.36 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.19 1uh6 h ALA 59 N -0.10 2.17 0.12 1.87 0.00 0.20 1.53 119.26 125.04 1uh6 h ALA 59 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 1uh6 h ALA 59 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1uh6 h ALA 59 CO -0.56 -0.62 -1.21 0.00 0.00 0.00 0.00 179.25 176.87 1uh6 h ALA 60 N 1.59 0.13 0.04 0.00 0.00 0.76 0.45 119.26 122.22 1uh6 h ALA 60 Ca 0.20 -0.86 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 1uh6 h ALA 60 Cb 1.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1uh6 h ALA 60 CO -0.00 0.95 -0.37 1.96 0.00 0.00 0.00 179.25 181.79 1uh6 h GLN 61 N 0.09 0.17 0.00 0.00 1.08 0.77 -3.31 115.11 113.92 1uh6 h GLN 61 Ca -0.13 -0.25 -0.15 0.00 -1.45 0.00 0.00 58.65 56.68 1uh6 h GLN 61 Cb 1.92 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.42 1uh6 h GLN 61 CO 0.20 1.06 -0.70 1.79 -0.95 0.00 0.00 178.83 180.22 1uh6 h THR 62 N -0.59 1.39 0.00 -0.54 1.35 0.17 -3.47 112.91 111.22 1uh6 h THR 62 Ca -0.06 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1uh6 h THR 62 Cb 1.22 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1uh6 h THR 62 CO 0.07 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1uh6 n GLY 63 N 0.75 0.20 2.48 5.82 0.00 0.13 -5.04 105.19 109.53 1uh6 n GLY 63 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.87 0.00 -3.71 2.61 -2.24 0.32 -4.87 114.28 104.52 1uh6 n THR 64 Ca 0.00 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 1uh6 n THR 64 Cb 0.00 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 66.88 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 -4.79 3.64 0.59 -0.78 0.52 -1.26 -4.23 118.95 112.64 1uh6 s ARG 65 Ca 0.50 0.04 0.37 0.00 -0.52 0.00 0.00 55.73 56.12 1uh6 s ARG 65 Cb -0.04 -3.11 1.76 0.00 0.52 0.00 0.00 34.95 34.08 1uh6 s ARG 65 CO 0.37 0.67 2.14 0.11 0.02 0.00 0.00 175.30 178.61 1uh6 h TRP 66 N 4.25 0.00 -0.47 -0.53 5.08 -1.87 0.17 115.95 122.59 1uh6 h TRP 66 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.46 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 0.70 0.02 0.00 0.27 -1.28 0.00 0.00 178.44 178.15 1uh6 n ASN 67 N -3.17 3.32 -1.64 0.11 0.23 -1.26 -3.77 115.26 109.08 1uh6 n ASN 67 Ca -0.01 -2.25 0.01 0.00 -0.53 0.00 0.00 54.58 51.80 1uh6 n ASN 67 Cb 0.21 -0.45 0.07 0.00 -2.08 0.00 0.00 39.78 37.53 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 0.78 1.02 -3.80 -3.83 5.02 0.60 -4.74 118.16 113.20 1uh6 n LYS 68 Ca 0.18 -2.79 -0.25 0.00 -2.02 0.00 0.00 58.31 53.43 1uh6 n LYS 68 Cb 0.61 -0.88 -0.17 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.89 0.62 -0.21 -0.18 1.01 -1.21 -3.28 121.20 116.05 1uh6 s ILE 69 Ca 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 1uh6 s ILE 69 Cb 0.37 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 42.02 1uh6 s ILE 69 CO -0.10 0.15 -0.13 -0.69 0.00 0.00 0.00 174.94 174.17 1uh6 s VAL 70 N 1.85 2.53 -0.35 2.92 1.01 0.49 -4.95 120.40 123.90 1uh6 s VAL 70 Ca 0.03 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1uh6 s VAL 70 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1uh6 s VAL 70 CO -0.07 0.38 0.29 -0.76 0.00 0.00 0.00 175.10 174.95 1uh6 s LEU 71 N 1.32 4.58 0.09 3.92 2.01 -1.26 -0.71 118.68 128.63 1uh6 s LEU 71 Ca 0.03 -0.43 0.10 0.00 0.01 0.00 0.00 54.13 53.84 1uh6 s LEU 71 Cb -0.15 -2.21 -0.03 0.00 0.01 0.00 0.00 46.19 43.81 1uh6 s LEU 71 CO -0.08 -0.30 -0.26 -0.54 1.01 0.00 0.00 176.35 176.18 1uh6 s LYS 72 N 1.82 1.52 -0.41 1.70 1.02 -0.25 -2.50 119.74 122.64 1uh6 s LYS 72 Ca 0.08 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 54.89 1uh6 s LYS 72 Cb -0.17 -1.85 0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1uh6 s LYS 72 CO 0.11 0.46 0.15 0.21 -0.92 0.00 0.00 175.35 175.35 1uh6 s LYS 73 N -1.68 1.55 0.00 1.68 2.47 0.30 0.05 119.74 124.11 1uh6 s LYS 73 Ca 0.12 -2.07 0.00 0.00 -1.56 0.00 0.00 55.97 52.46 1uh6 s LYS 73 Cb -0.10 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.25 1uh6 s LYS 73 CO 0.04 -1.03 0.00 0.91 0.16 0.00 0.00 175.35 175.43 1uh6 n TRP 74 N 3.84 0.00 0.00 4.03 7.02 -1.26 -1.80 117.44 129.27 1uh6 n TRP 74 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1uh6 n TRP 74 Cb 0.38 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 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 -1.91 -5.99 9.36 -1.26 -5.08 117.16 112.28 1uh6 n TYR 75 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 1uh6 n TYR 75 Cb 0.00 0.10 0.01 0.00 -0.63 0.00 0.00 39.34 38.83 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 -1.57 2.33 0.11 2.97 2.01 -0.74 -5.02 115.64 115.73 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 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1uh6 s THR 76 CO 0.00 0.03 0.11 -0.63 -0.69 0.00 0.00 174.62 173.44 1uh6 s ILE 77 N -1.28 4.57 -0.25 1.82 1.09 -1.26 -0.53 121.20 125.36 1uh6 s ILE 77 Ca 0.63 -0.88 -0.08 0.00 -1.10 0.00 0.00 60.65 59.22 1uh6 s ILE 77 Cb -0.40 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 1uh6 s ILE 77 CO 0.50 0.03 0.10 -0.36 -0.10 0.00 0.00 174.94 175.10 1uh6 s PHE 78 N -1.55 3.14 1.22 3.97 0.40 -1.04 -4.95 117.98 119.17 1uh6 s PHE 78 Ca 0.30 -0.22 -0.18 0.00 -0.60 0.00 0.00 56.93 56.23 1uh6 s PHE 78 Cb -0.11 -2.25 0.29 0.00 0.51 0.00 0.00 43.02 41.45 1uh6 s PHE 78 CO 0.23 -0.24 1.06 0.15 0.70 0.00 0.00 175.22 177.12 1uh6 s LYS 79 N 1.49 -1.34 -0.01 0.44 -0.14 -1.26 -4.77 119.74 114.15 1uh6 s LYS 79 Ca 0.06 0.13 0.20 0.00 -1.36 0.00 0.00 55.97 55.00 1uh6 s LYS 79 Cb -0.15 -1.56 -0.21 0.00 -1.68 0.00 0.00 37.83 34.22 1uh6 s LYS 79 CO 0.05 -3.83 0.56 -0.40 -0.76 0.00 0.00 175.35 170.97 1uh6 n ASP 80 N -4.88 0.36 -2.25 2.83 5.75 -1.26 -4.11 116.55 112.99 1uh6 n ASP 80 Ca 0.11 0.15 -0.30 0.00 -0.01 0.00 0.00 54.79 54.74 1uh6 n ASP 80 Cb 0.59 1.03 0.11 0.00 -1.03 0.00 0.00 41.12 41.82 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uh6 n HIS 81 N -2.61 3.10 -3.88 2.11 1.44 -1.26 -2.50 115.22 111.61 1uh6 n HIS 81 Ca -0.12 -2.58 -0.30 0.00 -2.01 0.00 0.00 57.72 52.71 1uh6 n HIS 81 Cb 0.78 -1.22 -0.16 0.00 0.12 0.00 0.00 29.99 29.51 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 -4.29 1.29 0.80 0.61 1.01 -1.26 -5.02 120.40 113.55 1uh6 s VAL 82 Ca 0.61 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1uh6 s VAL 82 Cb 0.49 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 35.30 1uh6 s VAL 82 CO 0.03 -0.18 1.10 -0.94 0.00 0.00 0.00 175.10 175.11 1uh6 s SER 83 N 1.49 4.18 0.37 3.32 1.04 -1.26 -2.96 113.70 119.88 1uh6 s SER 83 Ca -0.03 1.91 0.14 0.00 0.48 0.00 0.00 55.95 58.45 1uh6 s SER 83 Cb -0.18 -2.53 0.71 0.00 0.10 0.00 0.00 66.02 64.12 1uh6 s SER 83 CO -0.08 -2.26 1.80 -0.07 0.98 0.00 0.00 173.24 173.62 1uh6 h LEU 84 N -1.25 0.00 -0.01 2.42 -0.00 -1.66 -1.72 115.31 113.10 1uh6 h LEU 84 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1uh6 h LEU 84 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1uh6 h LEU 84 CO 0.49 0.39 0.00 0.61 -0.00 0.00 0.00 178.44 179.93 1uh6 n GLY 85 N -0.30 -0.99 0.09 0.83 0.00 -1.25 -0.75 105.19 102.82 1uh6 n GLY 85 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1uh6 n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uh6 n ASP 86 N -1.51 0.81 -0.09 1.61 9.92 -0.65 -4.02 116.55 122.61 1uh6 n ASP 86 Ca 0.03 0.28 0.12 0.00 -0.53 0.00 0.00 54.79 54.69 1uh6 n ASP 86 Cb 0.17 0.11 0.23 0.00 -0.64 0.00 0.00 41.12 40.99 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 -3.02 0.00 -3.04 1.24 4.01 -0.81 -4.95 117.16 110.60 1uh6 n TYR 87 Ca -0.23 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.32 1uh6 n TYR 87 Cb 1.08 -0.17 0.04 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 -1.19 -4.82 -1.93 -0.72 -0.58 0.07 -4.95 120.64 106.53 1uh6 n GLU 88 Ca 0.07 0.74 -0.37 0.00 -0.42 0.00 0.00 57.16 57.18 1uh6 n GLU 88 Cb 0.34 -5.30 0.04 0.00 -0.57 0.00 0.00 31.44 25.96 1uh6 n GLU 88 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1uh6 s ILE 89 N -3.13 2.42 -0.09 -3.67 1.01 -0.91 -5.02 121.20 111.82 1uh6 s ILE 89 Ca 0.32 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1uh6 s ILE 89 Cb -0.14 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1uh6 s ILE 89 CO 0.40 -0.04 -0.12 -1.00 0.00 0.00 0.00 174.94 174.18 1uh6 s HIS 90 N -1.48 2.80 -0.44 3.97 3.76 -1.26 -4.93 115.29 117.70 1uh6 s HIS 90 Ca 0.76 -0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 55.07 1uh6 s HIS 90 Cb -0.34 -1.74 -0.10 0.00 1.11 0.00 0.00 32.58 31.51 1uh6 s HIS 90 CO 0.37 0.06 2.33 -0.40 -0.85 0.00 0.00 174.74 176.25 1uh6 n ASP 91 N 2.80 2.18 0.00 1.40 5.68 -1.26 -0.51 116.55 126.85 1uh6 n ASP 91 Ca -0.18 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 1uh6 n ASP 91 Cb 0.52 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.13 1uh6 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uh6 n GLY 92 N 6.23 1.72 3.78 6.12 0.00 0.16 -4.80 105.19 118.40 1uh6 n GLY 92 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.01 4.44 -0.25 1.61 1.75 0.33 -4.85 119.30 122.32 1uh6 s MET 93 Ca 0.00 1.50 -0.09 0.00 -1.25 0.00 0.00 55.69 55.84 1uh6 s MET 93 Cb 0.00 -2.79 -0.04 0.00 2.84 0.00 0.00 34.83 34.83 1uh6 s MET 93 CO 0.00 0.11 0.13 -0.80 -0.65 0.00 0.00 175.02 173.81 1uh6 s ASN 94 N -1.44 5.73 0.21 1.11 0.01 -1.26 -1.71 114.94 117.59 1uh6 s ASN 94 Ca 0.52 -0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.72 1uh6 s ASN 94 Cb -0.23 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 1uh6 s ASN 94 CO 0.29 0.02 -0.13 -0.76 -1.51 0.00 0.00 177.10 175.00 1uh6 s LEU 95 N 1.32 2.54 -0.31 0.60 1.43 -1.11 -5.01 118.68 118.14 1uh6 s LEU 95 Ca 0.06 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 1uh6 s LEU 95 Cb -0.15 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1uh6 s LEU 95 CO 0.06 -0.19 0.92 -1.61 0.23 0.00 0.00 176.35 175.75 1uh6 s GLU 96 N -3.66 4.01 -0.18 1.70 8.01 0.11 -2.05 118.70 126.64 1uh6 s GLU 96 Ca 0.23 0.81 -0.16 0.00 0.01 0.00 0.00 54.97 55.86 1uh6 s GLU 96 Cb -0.00 -3.73 -0.04 0.00 -4.31 0.00 0.00 34.13 26.05 1uh6 s GLU 96 CO 0.07 -0.78 0.39 -1.17 0.01 0.00 0.00 175.26 173.78 1uh6 s LEU 97 N 3.26 4.19 0.00 1.80 2.96 -0.23 -1.09 118.68 129.56 1uh6 s LEU 97 Ca 0.38 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 1uh6 s LEU 97 Cb -0.13 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 1uh6 s LEU 97 CO 0.14 -0.04 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.76 1uh6 s TYR 98 N 1.08 0.52 -0.13 5.38 2.02 0.11 -4.40 117.35 121.94 1uh6 s TYR 98 Ca 0.19 -0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.70 1uh6 s TYR 98 Cb -0.14 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 1uh6 s TYR 98 CO 0.07 -0.02 0.06 0.71 -1.57 0.00 0.00 175.55 174.81 1uh6 s TYR 99 N -0.27 3.32 -2.00 2.71 2.02 -1.26 0.18 117.35 122.05 1uh6 s TYR 99 Ca 0.01 0.25 0.12 0.00 -0.37 0.00 0.00 57.07 57.08 1uh6 s TYR 99 Cb -0.03 -1.93 0.73 0.00 -0.40 0.00 0.00 41.96 40.32 1uh6 s TYR 99 CO -0.00 0.44 1.16 1.04 -1.57 0.00 0.00 175.55 176.61