#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 3.51 0.00 0.03 2.20 -1.26 -5.00 119.74 119.23 1uh6 s LYS 2 Ca 0.00 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1uh6 s LYS 2 Cb 0.00 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1uh6 s LYS 2 CO 0.00 0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.97 1uh6 n GLY 3 N 0.31 2.99 3.67 5.54 0.00 -1.26 -5.19 105.19 111.26 1uh6 n GLY 3 Ca -0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -0.27 0.11 1.61 1.04 -1.26 -5.19 113.70 109.74 1uh6 s SER 4 Ca 0.00 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1uh6 s SER 4 Cb 0.00 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1uh6 s SER 4 CO 0.00 -0.87 0.02 -0.55 0.98 0.00 0.00 173.24 172.82 1uh6 s SER 5 N -2.79 0.52 -0.30 7.02 0.15 -1.26 -5.16 113.70 111.88 1uh6 s SER 5 Ca 0.09 -1.13 -0.17 0.00 0.70 0.00 0.00 55.95 55.44 1uh6 s SER 5 Cb -0.02 0.23 0.20 0.00 -1.71 0.00 0.00 66.02 64.73 1uh6 s SER 5 CO -0.02 -0.66 1.25 -2.28 1.20 0.00 0.00 173.24 172.74 1uh6 s HIS 6 N -3.94 -0.10 0.09 3.44 5.04 -1.26 -5.18 115.29 113.38 1uh6 s HIS 6 Ca 0.18 0.19 0.05 0.00 -1.54 0.00 0.00 55.06 53.94 1uh6 s HIS 6 Cb 0.07 0.06 -0.03 0.00 0.04 0.00 0.00 32.58 32.72 1uh6 s HIS 6 CO -0.02 -0.05 -0.12 -1.58 -2.34 0.00 0.00 174.74 170.63 1uh6 s HIS 7 N 1.33 1.16 -0.30 3.88 2.46 -1.26 -5.14 115.29 117.42 1uh6 s HIS 7 Ca -0.06 -0.54 -0.18 0.00 0.47 0.00 0.00 55.06 54.75 1uh6 s HIS 7 Cb -0.02 -0.64 0.21 0.00 -0.13 0.00 0.00 32.58 32.00 1uh6 s HIS 7 CO -0.12 0.05 1.30 -1.01 -2.47 0.00 0.00 174.74 172.49 1uh6 s HIS 8 N -1.83 -0.03 0.20 3.88 3.76 -1.26 -5.19 115.29 114.83 1uh6 s HIS 8 Ca 0.02 0.05 -0.23 0.00 -0.15 0.00 0.00 55.06 54.75 1uh6 s HIS 8 Cb -0.07 0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.69 1uh6 s HIS 8 CO 0.02 -0.01 0.87 -3.38 -0.85 0.00 0.00 174.74 171.38 1uh6 s HIS 9 N 1.42 -0.15 0.55 1.40 -3.43 -1.26 -5.14 115.29 108.67 1uh6 s HIS 9 Ca -0.05 -0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.00 1uh6 s HIS 9 Cb -0.01 0.67 0.00 0.00 -1.43 0.00 0.00 32.58 31.80 1uh6 s HIS 9 CO -0.12 -0.99 0.00 1.58 -2.00 0.00 0.00 174.74 173.22 1uh6 n HIS 10 N -0.47 -4.20 -3.61 0.38 -0.00 -1.26 -5.08 115.22 100.99 1uh6 n HIS 10 Ca -0.05 2.26 -0.06 0.00 0.46 0.00 0.00 57.72 60.32 1uh6 n HIS 10 Cb 0.60 -3.47 -0.04 0.00 -0.12 0.00 0.00 29.99 26.95 1uh6 n HIS 10 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1uh6 s HIS 11 N -4.54 -0.20 0.56 1.57 5.04 -1.26 -5.15 115.29 111.31 1uh6 s HIS 11 Ca 0.00 0.33 0.00 0.00 -1.54 0.00 0.00 55.06 53.85 1uh6 s HIS 11 Cb 0.00 0.47 0.00 0.00 0.04 0.00 0.00 32.58 33.09 1uh6 s HIS 11 CO 0.00 -0.19 0.00 0.43 -2.34 0.00 0.00 174.74 172.64 1uh6 n SER 12 N 0.59 -8.25 -3.65 9.88 7.64 -1.26 -5.07 113.62 113.50 1uh6 n SER 12 Ca -0.05 1.69 0.01 0.00 1.01 0.00 0.00 58.87 61.53 1uh6 n SER 12 Cb 0.58 -4.85 -0.06 0.00 -1.01 0.00 0.00 64.21 58.88 1uh6 n SER 12 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uh6 s SER 13 N -4.91 -0.04 0.00 6.43 0.15 -1.26 -5.16 113.70 108.91 1uh6 s SER 13 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1uh6 s SER 13 Cb 0.00 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1uh6 s SER 13 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1uh6 n GLY 14 N 2.72 2.77 1.70 9.45 0.00 -1.26 -5.14 105.19 115.44 1uh6 n GLY 14 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.00 -2.16 0.14 4.61 0.00 -1.26 -5.06 120.51 113.79 1uh6 n ALA 15 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1uh6 n ALA 15 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.75 -1.34 -1.13 0.00 7.64 -1.26 -5.17 113.62 113.11 1uh6 n SER 16 Ca 0.00 0.52 0.08 0.00 1.01 0.00 0.00 58.87 60.48 1uh6 n SER 16 Cb 0.00 1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 64.56 1uh6 n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1uh6 n LEU 17 N -3.26 -0.98 -2.30 -3.43 7.99 -1.26 -5.01 117.00 108.75 1uh6 n LEU 17 Ca 0.00 1.97 -0.02 0.00 -0.01 0.00 0.00 56.01 57.94 1uh6 n LEU 17 Cb 0.00 -2.23 -0.02 0.00 -0.11 0.00 0.00 43.42 41.06 1uh6 n LEU 17 CO 0.00 -1.22 -0.50 0.52 -1.51 0.00 0.00 177.39 174.67 1uh6 n VAL 18 N -3.21-11.86 -2.27 4.08 0.31 -1.26 -4.96 118.33 99.16 1uh6 n VAL 18 Ca -0.04 2.62 -0.33 0.00 -0.01 0.00 0.00 64.34 66.58 1uh6 n VAL 18 Cb 0.46 -5.93 -0.01 0.00 -0.91 0.00 0.00 33.84 27.45 1uh6 n VAL 18 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1uh6 s PRO 19 N -0.77 3.56 0.19 5.55 0.04 -1.26 -4.77 135.00 137.54 1uh6 s PRO 19 Ca -0.12 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1uh6 s PRO 19 Cb 0.01 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1uh6 s PRO 19 CO 0.32 -0.62 0.00 0.54 0.04 0.00 0.00 177.00 177.28 1uh6 n ARG 20 N -1.57 -3.93 0.00 4.56 1.74 -1.26 -4.99 116.66 111.20 1uh6 n ARG 20 Ca 0.09 2.90 0.00 0.00 -0.77 0.00 0.00 57.85 60.06 1uh6 n ARG 20 Cb 0.53 -3.03 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uh6 n GLY 21 N 1.02 1.04 3.51 -0.13 0.00 -1.26 -5.13 105.19 104.24 1uh6 n GLY 21 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -0.18 -2.54 1.61 7.64 -1.26 -3.99 113.62 114.91 1uh6 n SER 22 Ca 0.00 0.93 -0.03 0.00 1.01 0.00 0.00 58.87 60.78 1uh6 n SER 22 Cb 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1uh6 n SER 22 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1uh6 n GLU 23 N 0.33 -2.40 0.00 1.43 2.13 -1.26 -5.03 120.64 115.84 1uh6 n GLU 23 Ca 0.11 2.10 0.00 0.00 0.66 0.00 0.00 57.16 60.03 1uh6 n GLU 23 Cb 0.40 -4.72 0.00 0.00 0.27 0.00 0.00 31.44 27.39 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uh6 n GLY 24 N 0.12 1.05 3.25 8.31 0.00 -1.26 -4.74 105.19 111.93 1uh6 n GLY 24 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.75 3.63 -0.29 4.61 0.00 -1.26 -4.96 121.76 119.74 1uh6 s ALA 25 Ca 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 51.96 49.23 1uh6 s ALA 25 Cb 0.00 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 20.21 1uh6 s ALA 25 CO 0.00 -2.04 0.52 0.00 0.00 0.00 0.00 175.76 174.24 1uh6 s ALA 26 N 1.06 -1.90 0.41 0.00 0.00 -1.26 -4.84 121.76 115.23 1uh6 s ALA 26 Ca 0.08 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 1uh6 s ALA 26 Cb -0.24 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 1uh6 s ALA 26 CO -0.01 -1.72 0.83 0.99 0.00 0.00 0.00 175.76 175.85 1uh6 s THR 27 N 2.72 4.66 -0.13 0.00 2.01 -1.26 -4.81 115.64 118.82 1uh6 s THR 27 Ca 0.11 0.94 -0.05 0.00 0.31 0.00 0.00 61.69 63.00 1uh6 s THR 27 Cb -0.12 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1uh6 s THR 27 CO -0.26 -0.46 0.05 -0.32 -0.69 0.00 0.00 174.62 172.94 1uh6 s MET 28 N -3.63 3.47 0.00 4.92 0.00 -1.26 -0.94 119.30 121.86 1uh6 s MET 28 Ca 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 55.69 55.91 1uh6 s MET 28 Cb -0.10 -3.04 -0.00 0.00 0.00 0.00 0.00 34.83 31.68 1uh6 s MET 28 CO 0.26 0.55 0.02 0.96 0.00 0.00 0.00 175.02 176.81 1uh6 s ILE 29 N -0.43 0.04 -0.17 10.11 -4.36 -0.38 -4.95 121.20 121.06 1uh6 s ILE 29 Ca 0.09 -0.33 -0.15 0.00 -0.26 0.00 0.00 60.65 60.01 1uh6 s ILE 29 Cb -0.12 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.41 1uh6 s ILE 29 CO 0.02 -0.18 0.33 -0.70 0.24 0.00 0.00 174.94 174.65 1uh6 s GLU 30 N -0.54 4.24 -0.01 0.37 2.12 -1.26 -3.02 118.70 120.59 1uh6 s GLU 30 Ca -0.06 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1uh6 s GLU 30 Cb -0.04 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1uh6 s GLU 30 CO -0.00 0.15 -0.05 0.14 -0.54 0.00 0.00 175.26 174.97 1uh6 s VAL 31 N 0.72 3.83 -0.46 3.70 -7.23 -1.09 0.14 120.40 120.00 1uh6 s VAL 31 Ca 0.18 -0.66 -0.06 0.00 -1.81 0.00 0.00 61.98 59.63 1uh6 s VAL 31 Cb -0.14 -2.66 0.12 0.00 0.56 0.00 0.00 36.38 34.26 1uh6 s VAL 31 CO 0.05 0.43 0.30 -0.69 -0.31 0.00 0.00 175.10 174.88 1uh6 s VAL 32 N -0.99 3.80 -0.56 1.32 1.01 -0.27 -2.61 120.40 122.11 1uh6 s VAL 32 Ca 0.17 -1.99 -0.23 0.00 0.00 0.00 0.00 61.98 59.93 1uh6 s VAL 32 Cb -0.11 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1uh6 s VAL 32 CO 0.07 -0.75 0.86 0.00 0.00 0.00 0.00 175.10 175.28 1uh6 s ASN 34 N 2.97 6.16 0.45 0.00 0.01 -1.12 -2.65 114.94 120.76 1uh6 s ASN 34 Ca 0.25 -0.40 0.07 0.00 -0.71 0.00 0.00 52.86 52.07 1uh6 s ASN 34 Cb -0.15 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.02 1uh6 s ASN 34 CO 0.16 -1.83 0.57 -0.90 -1.51 0.00 0.00 177.10 173.58 1uh6 n ASP 35 N 9.40 1.83 -2.95 -1.22 5.68 -1.26 -1.90 116.55 126.13 1uh6 n ASP 35 Ca 0.04 -2.28 -0.32 0.00 -0.50 0.00 0.00 54.79 51.72 1uh6 n ASP 35 Cb 0.49 -0.27 -0.04 0.00 -1.14 0.00 0.00 41.12 40.16 1uh6 n ASP 35 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1uh6 n ARG 36 N -1.90 3.44 0.00 0.11 3.00 -1.26 -3.97 116.66 116.08 1uh6 n ARG 36 Ca 0.10 -2.71 0.00 0.00 -0.01 0.00 0.00 57.85 55.23 1uh6 n ARG 36 Cb 0.48 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.54 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 1.61 0.84 0.00 0.55 4.77 -1.26 -5.00 117.00 118.51 1uh6 n LEU 37 Ca 0.57 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1uh6 n LEU 37 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1uh6 n LEU 37 CO 0.51 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1uh6 n GLY 38 N 0.16 1.93 3.92 -0.72 0.00 -1.25 -4.96 105.19 104.26 1uh6 n GLY 38 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 2.85 0.55 1.61 -2.85 -1.26 -5.07 119.74 115.57 1uh6 s LYS 39 Ca 0.00 -1.22 -0.06 0.00 -1.00 0.00 0.00 55.97 53.69 1uh6 s LYS 39 Cb 0.00 -2.61 -0.01 0.00 -2.06 0.00 0.00 37.83 33.15 1uh6 s LYS 39 CO 0.00 0.02 0.87 0.15 0.10 0.00 0.00 175.35 176.48 1uh6 s LYS 40 N -4.11 3.21 -0.36 1.78 1.02 -1.26 -4.40 119.74 115.62 1uh6 s LYS 40 Ca 0.44 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.60 1uh6 s LYS 40 Cb -0.07 -2.30 0.11 0.00 -0.52 0.00 0.00 37.83 35.05 1uh6 s LYS 40 CO 0.29 -0.50 0.09 0.08 -0.92 0.00 0.00 175.35 174.39 1uh6 s VAL 41 N -2.91 2.02 -0.42 3.17 1.01 -1.09 -4.99 120.40 117.19 1uh6 s VAL 41 Ca 0.51 -2.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.00 1uh6 s VAL 41 Cb -0.10 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1uh6 s VAL 41 CO 0.46 -0.65 0.54 -0.13 0.00 0.00 0.00 175.10 175.32 1uh6 s ARG 42 N 0.86 3.23 0.01 2.72 0.52 -1.26 -1.75 118.95 123.28 1uh6 s ARG 42 Ca 0.12 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1uh6 s ARG 42 Cb -0.20 -3.95 -0.03 0.00 0.52 0.00 0.00 34.95 31.30 1uh6 s ARG 42 CO -0.10 -0.91 -0.22 0.08 0.02 0.00 0.00 175.30 174.17 1uh6 s VAL 43 N 2.48 2.44 -0.17 3.52 1.01 -1.07 -4.98 120.40 123.63 1uh6 s VAL 43 Ca 0.18 -1.17 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1uh6 s VAL 43 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1uh6 s VAL 43 CO 0.16 0.44 0.39 -1.59 0.00 0.00 0.00 175.10 174.50 1uh6 s LYS 44 N -1.07 4.24 0.27 2.72 -2.85 -1.26 -2.68 119.74 119.11 1uh6 s LYS 44 Ca 0.12 0.23 -0.06 0.00 -1.00 0.00 0.00 55.97 55.26 1uh6 s LYS 44 Cb -0.10 -3.48 -0.01 0.00 -2.06 0.00 0.00 37.83 32.18 1uh6 s LYS 44 CO 0.02 0.09 0.39 0.00 0.10 0.00 0.00 175.35 175.95 1uh6 s ASN 46 N -3.14 4.45 0.45 0.00 -0.87 -1.26 -1.26 114.94 113.32 1uh6 s ASN 46 Ca 0.30 -0.80 0.25 0.00 -1.57 0.00 0.00 52.86 51.03 1uh6 s ASN 46 Cb 0.01 -0.70 0.97 0.00 -0.02 0.00 0.00 41.25 41.51 1uh6 s ASN 46 CO 0.14 -0.16 1.85 0.71 -2.57 0.00 0.00 177.10 177.07 1uh6 h THR 47 N 1.77 0.54 0.00 1.60 1.35 -1.36 -2.32 112.91 114.49 1uh6 h THR 47 Ca -0.43 -1.06 -0.06 0.00 -0.55 0.00 0.00 66.41 64.31 1uh6 h THR 47 Cb 1.25 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 1uh6 h THR 47 CO 0.63 0.21 -0.26 0.44 -0.25 0.00 0.00 175.52 176.28 1uh6 h ASP 48 N 0.00 0.00 -3.64 5.36 5.19 -1.88 -3.30 116.42 118.15 1uh6 h ASP 48 Ca -0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 1uh6 h ASP 48 Cb 0.71 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 1uh6 h ASP 48 CO 0.03 0.26 0.26 -1.81 -3.12 0.00 0.00 179.24 174.86 1uh6 s ASP 49 N -6.37 7.51 0.47 6.45 1.01 -0.88 -4.98 116.67 119.88 1uh6 s ASP 49 Ca -0.01 1.79 0.01 0.00 0.71 0.00 0.00 52.55 55.05 1uh6 s ASP 49 Cb 0.12 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1uh6 s ASP 49 CO 0.65 0.18 0.69 0.42 0.21 0.00 0.00 175.17 177.32 1uh6 s THR 50 N -1.18 3.59 0.28 -1.27 -4.23 -1.26 -3.77 115.64 107.80 1uh6 s THR 50 Ca 0.39 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1uh6 s THR 50 Cb -0.24 -3.32 0.40 0.00 1.34 0.00 0.00 72.50 70.68 1uh6 s THR 50 CO 0.29 -0.22 1.58 0.40 -0.54 0.00 0.00 174.62 176.13 1uh6 h ILE 51 N 0.34 0.08 -0.01 2.99 1.08 -1.21 0.26 117.51 121.03 1uh6 h ILE 51 Ca -0.45 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1uh6 h ILE 51 Cb 1.27 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1uh6 h ILE 51 CO 0.55 0.00 -0.06 1.23 -0.69 0.00 0.00 178.15 179.18 1uh6 h GLY 52 N 0.02 -1.45 -0.11 5.37 0.00 -1.60 1.26 103.07 106.56 1uh6 h GLY 52 Ca 0.50 0.64 0.25 0.00 0.00 0.00 0.00 47.33 48.73 1uh6 h GLY 52 CO -0.92 -0.53 0.64 -0.55 0.00 0.00 0.00 176.54 175.18 1uh6 h ASP 53 N -0.07 0.56 0.19 0.19 3.32 -1.44 -0.05 116.42 119.12 1uh6 h ASP 53 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1uh6 h ASP 53 Cb 0.08 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1uh6 h ASP 53 CO -0.05 0.11 -0.09 0.25 -1.72 0.00 0.00 179.24 177.74 1uh6 h LEU 54 N 0.50 -0.22 -0.94 1.55 7.12 0.96 -2.71 115.31 121.58 1uh6 h LEU 54 Ca 0.61 0.01 0.23 0.00 0.13 0.00 0.00 57.88 58.86 1uh6 h LEU 54 Cb 1.34 0.06 -0.18 0.00 -0.53 0.00 0.00 40.66 41.35 1uh6 h LEU 54 CO -0.37 -0.14 -0.08 0.29 -0.13 0.00 0.00 178.44 178.00 1uh6 n LYS 55 N -2.77 -0.08 -0.21 1.25 5.02 0.42 0.16 118.16 121.94 1uh6 n LYS 55 Ca -0.03 1.43 -0.03 0.00 -2.02 0.00 0.00 58.31 57.65 1uh6 n LYS 55 Cb 0.10 -2.22 0.03 0.00 -0.02 0.00 0.00 35.03 32.92 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 -0.11 0.23 1.97 1.57 -0.91 0.36 116.57 119.68 1uh6 h LYS 56 Ca 0.52 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1uh6 h LYS 56 Cb 0.98 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1uh6 h LYS 56 CO -0.92 -0.07 -0.45 -0.07 -0.57 0.00 0.00 179.45 177.37 1uh6 h LEU 57 N -0.11 -1.32 -0.32 2.94 3.38 0.19 0.14 115.31 120.22 1uh6 h LEU 57 Ca 0.26 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.39 1uh6 h LEU 57 Cb 0.54 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1uh6 h LEU 57 CO -0.69 -0.52 -0.34 0.40 0.09 0.00 0.00 178.44 177.37 1uh6 h ILE 58 N -0.74 0.00 -0.87 1.22 2.04 -0.63 1.69 117.51 120.23 1uh6 h ILE 58 Ca -0.02 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.09 1uh6 h ILE 58 Cb 0.69 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1uh6 h ILE 58 CO -0.18 0.00 0.84 0.00 0.00 0.00 0.00 178.15 178.81 1uh6 h ALA 59 N -0.45 2.71 0.24 1.87 0.00 -0.08 1.81 119.26 125.34 1uh6 h ALA 59 Ca 0.05 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1uh6 h ALA 59 Cb 0.34 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1uh6 h ALA 59 CO -0.40 -1.28 -1.56 0.00 0.00 0.00 0.00 179.25 176.01 1uh6 h ALA 60 N 1.14 -0.07 -0.19 0.00 0.00 0.48 0.11 119.26 120.73 1uh6 h ALA 60 Ca 0.41 -0.94 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1uh6 h ALA 60 Cb 2.08 0.26 0.01 0.00 0.00 0.00 0.00 17.79 20.13 1uh6 h ALA 60 CO -0.00 0.79 -0.63 1.96 0.00 0.00 0.00 179.25 181.36 1uh6 h GLN 61 N 0.14 0.76 0.04 0.00 1.08 1.09 -3.36 115.11 114.85 1uh6 h GLN 61 Ca -0.28 -0.57 -0.00 0.00 -1.45 0.00 0.00 58.65 56.35 1uh6 h GLN 61 Cb 2.15 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.68 1uh6 h GLN 61 CO 0.25 1.19 -0.02 1.79 -0.95 0.00 0.00 178.83 181.09 1uh6 h THR 62 N 0.49 0.00 0.00 -0.54 1.35 0.18 -3.49 112.91 110.90 1uh6 h THR 62 Ca -0.03 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1uh6 h THR 62 Cb 1.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1uh6 h THR 62 CO 0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1uh6 n GLY 63 N 1.66 0.99 0.00 5.82 0.00 0.35 -5.05 105.19 108.96 1uh6 n GLY 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.42 2.61 -2.24 -1.12 -4.90 114.28 104.21 1uh6 n THR 64 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1uh6 n THR 64 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.11 0.60 -0.78 0.52 -1.26 -4.74 118.95 114.41 1uh6 s ARG 65 Ca 0.00 -0.91 0.38 0.00 -0.52 0.00 0.00 55.73 54.68 1uh6 s ARG 65 Cb 0.00 -1.20 1.89 0.00 0.52 0.00 0.00 34.95 36.16 1uh6 s ARG 65 CO 0.00 0.30 2.18 0.11 0.02 0.00 0.00 175.30 177.91 1uh6 h TRP 66 N 4.70 0.00 -0.70 -0.53 5.08 -1.87 0.14 115.95 122.77 1uh6 h TRP 66 Ca -0.41 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.39 1uh6 h TRP 66 Cb 1.17 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.24 1uh6 h TRP 66 CO 0.55 0.01 0.21 0.27 -1.28 0.00 0.00 178.44 178.20 1uh6 n ASN 67 N -3.16 5.07 -0.73 0.11 0.23 -1.26 -3.95 115.26 111.57 1uh6 n ASN 67 Ca -0.01 -3.16 0.01 0.00 -0.53 0.00 0.00 54.58 50.88 1uh6 n ASN 67 Cb 0.18 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 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 0.02 0.00 -4.01 -3.83 5.02 0.48 -4.87 118.16 110.97 1uh6 n LYS 68 Ca 0.38 -1.21 -0.30 0.00 -2.02 0.00 0.00 58.31 55.15 1uh6 n LYS 68 Cb 1.35 -0.38 -0.16 0.00 -0.02 0.00 0.00 35.03 35.82 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 0.00 1.59 -0.17 -0.18 1.01 -1.17 -2.76 121.20 119.52 1uh6 s ILE 69 Ca 0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1uh6 s ILE 69 Cb 0.09 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1uh6 s ILE 69 CO -0.04 0.35 -0.07 -0.69 0.00 0.00 0.00 174.94 174.49 1uh6 s VAL 70 N 1.46 3.41 -0.29 2.92 1.01 0.49 -4.95 120.40 124.45 1uh6 s VAL 70 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1uh6 s VAL 70 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1uh6 s VAL 70 CO -0.10 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 174.77 1uh6 s LEU 71 N 0.79 3.76 0.23 3.92 2.01 -1.26 0.06 118.68 128.18 1uh6 s LEU 71 Ca -0.03 -0.81 0.11 0.00 0.01 0.00 0.00 54.13 53.42 1uh6 s LEU 71 Cb -0.15 -1.83 -0.05 0.00 0.01 0.00 0.00 46.19 44.18 1uh6 s LEU 71 CO 0.02 -0.19 -0.21 -0.54 1.01 0.00 0.00 176.35 176.43 1uh6 s LYS 72 N 1.44 1.63 -0.37 1.70 1.02 0.16 -1.28 119.74 124.04 1uh6 s LYS 72 Ca 0.01 -1.59 0.01 0.00 0.02 0.00 0.00 55.97 54.41 1uh6 s LYS 72 Cb -0.17 -1.85 0.12 0.00 -0.52 0.00 0.00 37.83 35.41 1uh6 s LYS 72 CO 0.01 0.38 0.18 0.21 -0.92 0.00 0.00 175.35 175.20 1uh6 s LYS 73 N -3.01 0.93 0.00 1.68 2.47 0.83 0.38 119.74 123.01 1uh6 s LYS 73 Ca 0.25 -1.51 0.00 0.00 -1.56 0.00 0.00 55.97 53.15 1uh6 s LYS 73 Cb -0.07 -2.02 0.00 0.00 -1.46 0.00 0.00 37.83 34.28 1uh6 s LYS 73 CO 0.12 -1.10 0.00 0.91 0.16 0.00 0.00 175.35 175.45 1uh6 n TRP 74 N 4.17 0.00 0.00 4.03 7.02 -1.26 -2.00 117.44 129.39 1uh6 n TRP 74 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 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 -2.01 -5.99 9.36 -1.26 -5.07 117.16 112.19 1uh6 n TYR 75 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1uh6 n TYR 75 Cb 0.00 0.04 0.02 0.00 -0.63 0.00 0.00 39.34 38.78 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 -1.74 2.59 -0.10 2.97 2.01 -0.85 -5.02 115.64 115.51 1uh6 s THR 76 Ca 0.00 0.42 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 1uh6 s THR 76 Cb 0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1uh6 s THR 76 CO 0.00 -0.03 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.19 1uh6 s ILE 77 N -1.48 3.57 -0.36 1.82 1.09 -1.26 -0.12 121.20 124.45 1uh6 s ILE 77 Ca 0.71 -0.50 -0.25 0.00 -1.10 0.00 0.00 60.65 59.51 1uh6 s ILE 77 Cb -0.33 -2.49 0.01 0.00 -1.06 0.00 0.00 42.46 38.59 1uh6 s ILE 77 CO 0.38 0.55 0.87 -0.36 -0.10 0.00 0.00 174.94 176.29 1uh6 s PHE 78 N -0.26 3.10 0.89 3.97 0.40 -0.41 -4.97 117.98 120.71 1uh6 s PHE 78 Ca 0.03 0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 56.93 1uh6 s PHE 78 Cb -0.13 -3.53 0.23 0.00 0.51 0.00 0.00 43.02 40.10 1uh6 s PHE 78 CO 0.03 -0.77 0.61 1.63 0.70 0.00 0.00 175.22 177.42 1uh6 n LYS 79 N 6.61 -3.33 -0.07 0.44 4.76 -1.26 -4.64 118.16 120.67 1uh6 n LYS 79 Ca 0.06 -1.01 -0.09 0.00 -2.87 0.00 0.00 58.31 54.40 1uh6 n LYS 79 Cb 0.48 -1.16 -0.15 0.00 -1.84 0.00 0.00 35.03 32.36 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 -4.60 0.33 -2.33 4.39 5.75 -1.26 -4.22 116.55 114.60 1uh6 n ASP 80 Ca 0.09 0.16 -0.30 0.00 -0.01 0.00 0.00 54.79 54.73 1uh6 n ASP 80 Cb 0.38 0.61 0.05 0.00 -1.03 0.00 0.00 41.12 41.13 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 -2.85 2.56 -3.93 2.11 1.44 -1.26 -1.74 115.22 111.55 1uh6 n HIS 81 Ca -0.26 -2.51 -0.29 0.00 -2.01 0.00 0.00 57.72 52.64 1uh6 n HIS 81 Cb 1.11 -1.27 -0.16 0.00 0.12 0.00 0.00 29.99 29.78 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 -3.91 1.33 0.40 0.61 1.01 -1.26 -4.98 120.40 113.60 1uh6 s VAL 82 Ca 0.53 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 1uh6 s VAL 82 Cb 0.41 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 1uh6 s VAL 82 CO -0.10 0.11 1.00 -0.94 0.00 0.00 0.00 175.10 175.17 1uh6 s SER 83 N 1.53 6.90 0.57 3.32 1.04 -1.26 -1.83 113.70 123.97 1uh6 s SER 83 Ca -0.01 1.89 0.27 0.00 0.48 0.00 0.00 55.95 58.59 1uh6 s SER 83 Cb -0.16 -2.57 1.55 0.00 0.10 0.00 0.00 66.02 64.94 1uh6 s SER 83 CO -0.08 -0.39 2.05 -0.07 0.98 0.00 0.00 173.24 175.74 1uh6 h LEU 84 N 2.42 0.00 -1.37 2.42 -0.00 -1.65 0.65 115.31 117.77 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 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1uh6 h LEU 84 CO 0.62 0.00 0.00 1.23 -0.00 0.00 0.00 178.44 180.29 1uh6 h GLY 85 N 0.00 0.00 0.01 0.83 0.00 -1.90 -0.11 103.07 101.91 1uh6 h GLY 85 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1uh6 h GLY 85 CO -0.00 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 175.99 1uh6 h ASP 86 N 0.00 -0.00 0.00 0.19 3.32 -0.02 -3.26 116.42 116.64 1uh6 h ASP 86 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1uh6 h ASP 86 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1uh6 h ASP 86 CO 0.00 0.87 0.00 -1.22 -1.72 0.00 0.00 179.24 177.17 1uh6 n TYR 87 N -4.66 0.00 -3.95 4.55 4.01 -1.13 -4.89 117.16 111.09 1uh6 n TYR 87 Ca -0.08 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.40 1uh6 n TYR 87 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.97 -2.95 -1.47 -0.72 1.02 -0.12 -4.90 120.64 110.54 1uh6 n GLU 88 Ca 0.20 0.39 -0.32 0.00 -0.02 0.00 0.00 57.16 57.40 1uh6 n GLU 88 Cb 0.09 -4.40 0.08 0.00 -0.02 0.00 0.00 31.44 27.18 1uh6 n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uh6 s ILE 89 N -3.94 3.11 -0.04 -3.67 1.01 -0.81 -5.04 121.20 111.81 1uh6 s ILE 89 Ca 0.05 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.21 1uh6 s ILE 89 Cb -0.02 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1uh6 s ILE 89 CO 0.89 -0.39 -0.24 -1.00 0.00 0.00 0.00 174.94 174.20 1uh6 s HIS 90 N -2.54 2.42 -0.64 3.97 3.76 -1.26 -4.96 115.29 116.03 1uh6 s HIS 90 Ca 0.65 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.73 1uh6 s HIS 90 Cb -0.20 -1.56 -0.12 0.00 1.11 0.00 0.00 32.58 31.80 1uh6 s HIS 90 CO 0.48 -0.10 2.49 -3.47 -0.85 0.00 0.00 174.74 173.29 1uh6 n ASP 91 N 2.68 1.64 0.00 1.40 -0.08 -1.26 0.53 116.55 121.46 1uh6 n ASP 91 Ca -0.17 -0.18 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1uh6 n ASP 91 Cb 0.52 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.64 1uh6 n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uh6 n GLY 92 N 6.22 1.28 3.15 0.27 0.00 0.36 -4.78 105.19 111.69 1uh6 n GLY 92 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -4.02 1.61 1.56 0.19 -4.30 117.12 112.15 1uh6 n MET 93 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 1uh6 n MET 93 Cb 0.00 -0.95 -0.15 0.00 2.15 0.00 0.00 33.22 34.28 1uh6 n MET 93 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1uh6 s ASN 94 N -0.95 4.60 0.34 6.12 0.01 -1.26 -1.11 114.94 122.69 1uh6 s ASN 94 Ca 0.57 -1.43 0.06 0.00 -0.71 0.00 0.00 52.86 51.35 1uh6 s ASN 94 Cb -0.68 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 1uh6 s ASN 94 CO 0.58 -0.23 0.49 -0.76 -1.51 0.00 0.00 177.10 175.67 1uh6 s LEU 95 N 1.13 3.96 -0.46 0.60 2.01 -1.02 -4.98 118.68 119.91 1uh6 s LEU 95 Ca -0.06 -0.12 -0.25 0.00 0.01 0.00 0.00 54.13 53.71 1uh6 s LEU 95 Cb -0.20 -2.81 0.03 0.00 0.01 0.00 0.00 46.19 43.22 1uh6 s LEU 95 CO -0.04 -0.44 0.92 -1.61 1.01 0.00 0.00 176.35 176.18 1uh6 s GLU 96 N -4.21 3.54 -0.01 1.70 2.02 0.16 -2.77 118.70 119.13 1uh6 s GLU 96 Ca 0.45 0.17 -0.21 0.00 0.02 0.00 0.00 54.97 55.40 1uh6 s GLU 96 Cb -0.10 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 1uh6 s GLU 96 CO 0.32 -1.20 0.62 -1.17 0.02 0.00 0.00 175.26 173.84 1uh6 s LEU 97 N 3.72 4.40 -0.02 1.80 0.20 -0.80 -0.66 118.68 127.31 1uh6 s LEU 97 Ca 0.37 1.17 -0.03 0.00 0.69 0.00 0.00 54.13 56.33 1uh6 s LEU 97 Cb -0.10 -2.96 0.01 0.00 -0.43 0.00 0.00 46.19 42.71 1uh6 s LEU 97 CO 0.26 0.07 0.08 -0.31 -0.29 0.00 0.00 176.35 176.15 1uh6 s TYR 98 N -0.03 -0.05 -0.06 5.38 2.02 0.11 -4.48 117.35 120.23 1uh6 s TYR 98 Ca 0.32 0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.13 1uh6 s TYR 98 Cb -0.18 0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 1uh6 s TYR 98 CO 0.17 -0.08 0.03 0.71 -1.57 0.00 0.00 175.55 174.81 1uh6 s TYR 99 N -0.22 3.21 -2.83 2.71 2.02 -1.26 0.18 117.35 121.15 1uh6 s TYR 99 Ca -0.03 0.21 0.25 0.00 -0.37 0.00 0.00 57.07 57.13 1uh6 s TYR 99 Cb -0.02 -1.77 0.48 0.00 -0.40 0.00 0.00 41.96 40.25 1uh6 s TYR 99 CO 0.00 0.51 1.42 1.04 -1.57 0.00 0.00 175.55 176.95