#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 -1.42 0.00 2.12 4.76 -1.26 -4.99 118.16 117.37 1uh6 n LYS 2 Ca 0.00 1.05 0.00 0.00 -2.87 0.00 0.00 58.31 56.49 1uh6 n LYS 2 Cb 0.00 -4.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.72 1uh6 n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uh6 n GLY 3 N -1.68 -1.40 0.06 0.72 0.00 -1.26 -5.07 105.19 96.55 1uh6 n GLY 3 Ca -0.11 0.98 -0.04 0.00 0.00 0.00 0.00 46.02 46.85 1uh6 n GLY 3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uh6 h SER 4 N 0.00 0.00 -4.07 1.61 0.02 -1.94 -3.43 113.55 105.74 1uh6 h SER 4 Ca 0.00 -0.16 -0.54 0.00 -0.84 0.00 0.00 61.79 60.25 1uh6 h SER 4 Cb 0.00 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.67 1uh6 h SER 4 CO 0.00 0.66 0.54 -0.44 -1.14 0.00 0.00 176.83 176.45 1uh6 s SER 5 N -5.73 5.14 -0.59 3.07 0.01 -1.26 -3.71 113.70 110.62 1uh6 s SER 5 Ca -0.07 2.60 -0.23 0.00 1.31 0.00 0.00 55.95 59.56 1uh6 s SER 5 Cb 0.00 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.65 1uh6 s SER 5 CO 0.16 -1.64 0.64 0.00 0.41 0.00 0.00 173.24 172.81 1uh6 n HIS 6 N -1.36 -2.50 -3.65 2.43 -0.00 -1.26 -4.98 115.22 103.90 1uh6 n HIS 6 Ca 0.12 1.04 -0.00 0.00 -0.00 0.00 0.00 57.72 58.88 1uh6 n HIS 6 Cb 0.47 -2.30 -0.06 0.00 -0.00 0.00 0.00 29.99 28.09 1uh6 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1uh6 s HIS 7 N -2.11 -0.24 0.54 -1.40 5.04 -1.24 -5.08 115.29 110.80 1uh6 s HIS 7 Ca 0.23 0.49 -0.21 0.00 -1.54 0.00 0.00 55.06 54.03 1uh6 s HIS 7 Cb -0.03 0.19 -0.05 0.00 0.04 0.00 0.00 32.58 32.73 1uh6 s HIS 7 CO 0.88 -0.12 1.22 -3.38 -2.34 0.00 0.00 174.74 171.00 1uh6 s HIS 8 N 0.99 2.54 0.37 3.88 -3.43 -1.26 -4.91 115.29 113.47 1uh6 s HIS 8 Ca -0.06 1.49 -0.24 0.00 -0.80 0.00 0.00 55.06 55.45 1uh6 s HIS 8 Cb -0.03 -3.51 -0.13 0.00 -1.43 0.00 0.00 32.58 27.48 1uh6 s HIS 8 CO -0.12 -2.10 0.69 0.72 -2.00 0.00 0.00 174.74 171.93 1uh6 n HIS 9 N -1.11 0.05 -3.99 0.38 -0.00 -1.26 -4.94 115.22 104.35 1uh6 n HIS 9 Ca 0.11 0.66 -0.35 0.00 -0.00 0.00 0.00 57.72 58.14 1uh6 n HIS 9 Cb 0.48 -2.07 -0.09 0.00 -0.00 0.00 0.00 29.99 28.32 1uh6 n HIS 9 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1uh6 s HIS 10 N -1.32 3.30 -0.31 4.41 5.04 -1.26 -5.05 115.29 120.10 1uh6 s HIS 10 Ca 0.62 0.16 0.03 0.00 -1.54 0.00 0.00 55.06 54.34 1uh6 s HIS 10 Cb -0.65 -2.05 0.17 0.00 0.04 0.00 0.00 32.58 30.09 1uh6 s HIS 10 CO 0.58 0.26 0.44 -1.58 -2.34 0.00 0.00 174.74 172.11 1uh6 s HIS 11 N 0.10 -1.08 -0.34 3.88 2.46 -1.26 -5.05 115.29 114.00 1uh6 s HIS 11 Ca 0.06 0.27 -0.07 0.00 0.47 0.00 0.00 55.06 55.79 1uh6 s HIS 11 Cb -0.12 -0.10 0.21 0.00 -0.13 0.00 0.00 32.58 32.45 1uh6 s HIS 11 CO 0.00 -1.01 1.11 0.45 -2.47 0.00 0.00 174.74 172.82 1uh6 s SER 12 N 2.40 -0.25 -0.62 9.88 0.15 -1.26 -5.05 113.70 118.95 1uh6 s SER 12 Ca 0.11 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1uh6 s SER 12 Cb -0.12 0.32 0.15 0.00 -1.71 0.00 0.00 66.02 64.67 1uh6 s SER 12 CO -0.25 -0.01 0.39 -0.55 1.20 0.00 0.00 173.24 174.02 1uh6 s SER 13 N 0.99 4.64 0.00 5.45 0.15 -1.26 -4.90 113.70 118.77 1uh6 s SER 13 Ca 0.23 -3.40 0.00 0.00 0.70 0.00 0.00 55.95 53.49 1uh6 s SER 13 Cb 0.13 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1uh6 s SER 13 CO -0.11 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1uh6 n GLY 14 N 2.61 -1.23 3.32 9.45 0.00 -1.26 -5.12 105.19 112.97 1uh6 n GLY 14 Ca 0.12 0.46 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 1uh6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 s ALA 15 N -1.00 2.21 0.42 4.61 0.00 -1.26 -5.10 121.76 121.64 1uh6 s ALA 15 Ca 0.00 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 1uh6 s ALA 15 Cb 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.41 1uh6 s ALA 15 CO 0.00 0.52 1.01 0.43 0.00 0.00 0.00 175.76 177.72 1uh6 n SER 16 N 2.47 1.24 -0.01 0.00 7.64 -1.26 -4.65 113.62 119.05 1uh6 n SER 16 Ca -0.16 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1uh6 n SER 16 Cb 0.51 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1uh6 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uh6 n LEU 17 N 0.51 -1.32 -3.87 -3.43 -0.00 -1.26 -5.10 117.00 102.53 1uh6 n LEU 17 Ca 0.09 0.02 -0.10 0.00 -0.00 0.00 0.00 56.01 56.03 1uh6 n LEU 17 Cb 0.39 0.97 -0.08 0.00 -0.00 0.00 0.00 43.42 44.70 1uh6 n LEU 17 CO 0.57 0.00 -0.13 0.68 -0.00 0.00 0.00 177.39 178.51 1uh6 s VAL 18 N -1.70 0.13 -0.13 1.47 -7.23 -1.26 -5.11 120.40 106.56 1uh6 s VAL 18 Ca 0.00 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1uh6 s VAL 18 Cb 0.00 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1uh6 s VAL 18 CO 0.00 -0.57 1.25 -2.16 -0.31 0.00 0.00 175.10 173.31 1uh6 s PRO 19 N -2.94 4.27 0.36 4.82 0.04 -1.26 -5.02 135.00 135.27 1uh6 s PRO 19 Ca -0.02 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.79 1uh6 s PRO 19 Cb 0.01 -3.70 -0.07 0.00 0.04 0.00 0.00 34.50 30.78 1uh6 s PRO 19 CO -0.06 -0.63 -0.04 0.50 0.04 0.00 0.00 177.00 176.81 1uh6 s ARG 20 N 3.09 1.91 0.63 4.56 3.52 -1.26 -4.91 118.95 126.48 1uh6 s ARG 20 Ca 0.56 -1.96 -0.17 0.00 -0.13 0.00 0.00 55.73 54.02 1uh6 s ARG 20 Cb -0.23 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.42 1uh6 s ARG 20 CO 0.17 0.08 1.18 0.20 -0.81 0.00 0.00 175.30 176.12 1uh6 s GLY 21 N -3.66 2.54 -0.09 8.12 0.00 -1.26 -4.93 107.32 108.04 1uh6 s GLY 21 Ca 0.34 0.87 -0.32 0.00 0.00 0.00 0.00 44.72 45.61 1uh6 s GLY 21 CO 0.17 1.25 1.40 -0.45 0.00 0.00 0.00 173.10 175.48 1uh6 s SER 22 N -1.89 -0.00 0.19 1.64 0.15 -1.26 -5.13 113.70 107.39 1uh6 s SER 22 Ca 0.74 -0.03 -0.32 0.00 0.70 0.00 0.00 55.95 57.04 1uh6 s SER 22 Cb -0.27 0.03 -0.15 0.00 -1.71 0.00 0.00 66.02 63.91 1uh6 s SER 22 CO 0.36 -0.05 1.22 1.21 1.20 0.00 0.00 173.24 177.18 1uh6 n GLU 23 N -0.70 1.38 -3.64 5.44 2.13 -1.26 -4.97 120.64 119.02 1uh6 n GLU 23 Ca -0.03 0.49 -0.15 0.00 0.66 0.00 0.00 57.16 58.14 1uh6 n GLU 23 Cb 0.61 -2.03 -0.08 0.00 0.27 0.00 0.00 31.44 30.22 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1uh6 s GLY 24 N 0.06 -0.47 0.95 8.31 0.00 -1.26 -5.17 107.32 109.74 1uh6 s GLY 24 Ca 0.72 1.55 -0.15 0.00 0.00 0.00 0.00 44.72 46.84 1uh6 s GLY 24 CO 0.52 1.28 1.31 0.00 0.00 0.00 0.00 173.10 176.21 1uh6 s ALA 25 N -0.15 2.33 -1.11 3.20 0.00 -1.26 -4.98 121.76 119.80 1uh6 s ALA 25 Ca -0.04 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1uh6 s ALA 25 Cb -0.03 -2.70 0.29 0.00 0.00 0.00 0.00 23.12 20.68 1uh6 s ALA 25 CO 0.03 -2.41 1.48 0.00 0.00 0.00 0.00 175.76 174.87 1uh6 n ALA 26 N -3.72 5.07 -2.26 0.00 0.00 -1.26 -4.70 120.51 113.64 1uh6 n ALA 26 Ca 0.16 -4.73 -0.29 0.00 0.00 0.00 0.00 53.44 48.58 1uh6 n ALA 26 Cb 0.59 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 1uh6 n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uh6 s THR 27 N -2.19 4.86 -0.13 0.00 2.01 -1.26 -4.84 115.64 114.08 1uh6 s THR 27 Ca 0.32 0.38 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 1uh6 s THR 27 Cb 0.03 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1uh6 s THR 27 CO 0.07 -0.63 0.04 -0.32 -0.69 0.00 0.00 174.62 173.09 1uh6 s MET 28 N -4.16 3.49 0.03 4.92 -2.45 -1.26 -1.43 119.30 118.44 1uh6 s MET 28 Ca 0.49 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.58 1uh6 s MET 28 Cb -0.10 -3.02 -0.02 0.00 1.25 0.00 0.00 34.83 32.94 1uh6 s MET 28 CO 0.36 0.50 -0.06 0.96 1.05 0.00 0.00 175.02 177.83 1uh6 s ILE 29 N -0.30 0.42 -0.19 10.11 -4.36 0.37 -4.99 121.20 122.27 1uh6 s ILE 29 Ca 0.08 -0.98 -0.09 0.00 -0.26 0.00 0.00 60.65 59.39 1uh6 s ILE 29 Cb -0.12 -0.50 -0.05 0.00 1.25 0.00 0.00 42.46 43.04 1uh6 s ILE 29 CO 0.02 -0.38 0.11 -0.70 0.24 0.00 0.00 174.94 174.23 1uh6 s GLU 30 N -1.46 4.11 0.38 0.37 2.12 -1.26 -2.21 118.70 120.74 1uh6 s GLU 30 Ca -0.11 -0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.05 1uh6 s GLU 30 Cb -0.09 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1uh6 s GLU 30 CO 0.00 0.31 0.36 0.14 -0.54 0.00 0.00 175.26 175.53 1uh6 s VAL 31 N 0.32 3.17 -0.32 3.70 -7.23 -0.76 0.12 120.40 119.40 1uh6 s VAL 31 Ca 0.07 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1uh6 s VAL 31 Cb -0.11 -3.11 0.10 0.00 0.56 0.00 0.00 36.38 33.82 1uh6 s VAL 31 CO -0.01 -0.09 0.11 -0.69 -0.31 0.00 0.00 175.10 174.11 1uh6 s VAL 32 N -2.37 0.88 -0.59 1.32 1.01 -0.02 -2.60 120.40 118.03 1uh6 s VAL 32 Ca 0.45 -1.45 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 1uh6 s VAL 32 Cb -0.05 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1uh6 s VAL 32 CO 0.28 -0.69 1.27 0.00 0.00 0.00 0.00 175.10 175.96 1uh6 s ASN 34 N 3.50 5.78 0.53 0.00 0.01 -0.67 -2.64 114.94 121.44 1uh6 s ASN 34 Ca 0.45 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.66 1uh6 s ASN 34 Cb -0.09 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.11 1uh6 s ASN 34 CO 0.24 -2.04 0.59 -0.90 -1.51 0.00 0.00 177.10 173.48 1uh6 n ASP 35 N 10.84 0.99 -0.70 -1.22 5.68 -1.26 -2.04 116.55 128.84 1uh6 n ASP 35 Ca 0.12 -1.79 0.07 0.00 -0.50 0.00 0.00 54.79 52.69 1uh6 n ASP 35 Cb 0.50 -0.36 0.15 0.00 -1.14 0.00 0.00 41.12 40.27 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 -2.05 2.32 0.24 0.11 1.74 -1.26 -4.41 116.66 113.34 1uh6 n ARG 36 Ca 0.10 -1.93 0.10 0.00 -0.77 0.00 0.00 57.85 55.35 1uh6 n ARG 36 Cb 0.37 -1.30 0.58 0.00 -1.02 0.00 0.00 32.46 31.09 1uh6 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1uh6 h LEU 37 N 2.47 0.00 0.00 0.55 4.07 -1.99 -3.46 115.31 116.95 1uh6 h LEU 37 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1uh6 h LEU 37 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1uh6 h LEU 37 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 1uh6 n GLY 38 N -0.41 0.94 3.42 0.83 0.00 -1.26 -5.08 105.19 103.63 1uh6 n GLY 38 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.01 2.09 0.65 1.61 -2.85 -1.26 -5.08 119.74 114.89 1uh6 s LYS 39 Ca 0.00 -0.95 -0.14 0.00 -1.00 0.00 0.00 55.97 53.88 1uh6 s LYS 39 Cb 0.00 -2.16 -0.01 0.00 -2.06 0.00 0.00 37.83 33.60 1uh6 s LYS 39 CO 0.00 0.55 1.07 0.15 0.10 0.00 0.00 175.35 177.22 1uh6 s LYS 40 N -1.17 3.03 -0.17 1.78 1.02 -1.26 -4.49 119.74 118.47 1uh6 s LYS 40 Ca 0.13 1.14 0.01 0.00 0.02 0.00 0.00 55.97 57.27 1uh6 s LYS 40 Cb -0.10 -2.00 0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1uh6 s LYS 40 CO 0.03 -1.04 -0.14 0.08 -0.92 0.00 0.00 175.35 173.36 1uh6 s VAL 41 N -2.68 1.73 -0.17 3.17 1.01 -1.08 -5.00 120.40 117.38 1uh6 s VAL 41 Ca 0.62 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1uh6 s VAL 41 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1uh6 s VAL 41 CO 0.45 0.39 0.13 -0.13 0.00 0.00 0.00 175.10 175.94 1uh6 s ARG 42 N 1.40 3.86 0.02 2.72 0.52 -1.26 -0.60 118.95 125.62 1uh6 s ARG 42 Ca 0.03 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1uh6 s ARG 42 Cb -0.14 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 1uh6 s ARG 42 CO -0.10 0.50 -0.08 0.08 0.02 0.00 0.00 175.30 175.72 1uh6 s VAL 43 N -0.23 0.58 -0.12 3.52 1.01 -1.07 -5.00 120.40 119.09 1uh6 s VAL 43 Ca 0.11 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1uh6 s VAL 43 Cb -0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1uh6 s VAL 43 CO 0.01 -0.13 0.28 -1.59 0.00 0.00 0.00 175.10 173.66 1uh6 s LYS 44 N -0.96 4.04 0.29 2.72 -2.85 -1.26 -1.82 119.74 119.90 1uh6 s LYS 44 Ca -0.04 0.10 -0.11 0.00 -1.00 0.00 0.00 55.97 54.92 1uh6 s LYS 44 Cb -0.07 -3.34 0.01 0.00 -2.06 0.00 0.00 37.83 32.37 1uh6 s LYS 44 CO 0.00 0.43 0.53 0.00 0.10 0.00 0.00 175.35 176.41 1uh6 s ASN 46 N -3.07 3.30 0.48 0.00 0.01 -1.26 -0.48 114.94 113.92 1uh6 s ASN 46 Ca 0.23 -1.17 0.27 0.00 -0.71 0.00 0.00 52.86 51.48 1uh6 s ASN 46 Cb -0.02 -0.27 1.18 0.00 0.41 0.00 0.00 41.25 42.56 1uh6 s ASN 46 CO 0.12 -0.22 1.94 0.71 -1.51 0.00 0.00 177.10 178.13 1uh6 h THR 47 N 2.17 0.49 0.00 1.60 1.35 -1.55 -1.97 112.91 115.00 1uh6 h THR 47 Ca -0.41 -0.84 -0.07 0.00 -0.55 0.00 0.00 66.41 64.55 1uh6 h THR 47 Cb 1.24 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1uh6 h THR 47 CO 0.68 0.16 -0.32 -0.78 -0.25 0.00 0.00 175.52 175.01 1uh6 h ASP 48 N 0.00 0.00 -3.29 5.36 3.58 -1.84 -3.34 116.42 116.89 1uh6 h ASP 48 Ca -0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 1uh6 h ASP 48 Cb 0.57 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 1uh6 h ASP 48 CO 0.02 0.32 -0.01 -1.81 -2.88 0.00 0.00 179.24 174.88 1uh6 s ASP 49 N -6.53 7.03 0.61 2.28 1.01 -0.74 -5.01 116.67 115.33 1uh6 s ASP 49 Ca -0.01 1.23 0.00 0.00 0.71 0.00 0.00 52.55 54.47 1uh6 s ASP 49 Cb 0.13 -2.37 0.06 0.00 1.01 0.00 0.00 42.92 41.75 1uh6 s ASP 49 CO 0.68 0.17 0.86 0.42 0.21 0.00 0.00 175.17 177.50 1uh6 s THR 50 N -0.57 2.47 0.25 -1.27 -4.23 -1.26 -4.02 115.64 107.00 1uh6 s THR 50 Ca 0.31 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1uh6 s THR 50 Cb -0.19 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 71.01 1uh6 s THR 50 CO 0.18 0.00 1.73 0.40 -0.54 0.00 0.00 174.62 176.39 1uh6 h ILE 51 N -0.15 0.65 -0.93 2.99 1.08 -1.68 0.41 117.51 119.89 1uh6 h ILE 51 Ca -0.40 -0.15 0.17 0.00 -0.39 0.00 0.00 64.86 64.08 1uh6 h ILE 51 Cb 1.29 0.17 -0.10 0.00 -3.07 0.00 0.00 36.82 35.11 1uh6 h ILE 51 CO 0.49 0.08 0.52 1.23 -0.69 0.00 0.00 178.15 179.78 1uh6 h GLY 52 N 0.44 1.58 1.38 5.37 0.00 -1.81 1.43 103.07 111.47 1uh6 h GLY 52 Ca 0.42 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 47.18 1uh6 h GLY 52 CO -0.41 -0.05 -1.09 -0.55 0.00 0.00 0.00 176.54 174.44 1uh6 h ASP 53 N 0.70 0.72 -0.25 0.19 3.32 -0.98 -3.01 116.42 117.11 1uh6 h ASP 53 Ca 0.52 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1uh6 h ASP 53 Cb 0.77 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1uh6 h ASP 53 CO -0.37 1.43 0.10 0.25 -1.72 0.00 0.00 179.24 178.92 1uh6 h LEU 54 N 0.27 0.35 -0.61 1.55 5.85 0.18 -2.60 115.31 120.29 1uh6 h LEU 54 Ca -0.13 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.53 1uh6 h LEU 54 Cb 1.75 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.61 1uh6 h LEU 54 CO 0.20 0.43 0.16 0.11 -0.34 0.00 0.00 178.44 179.00 1uh6 h LYS 55 N 0.25 0.29 -0.48 1.25 1.57 0.18 0.42 116.57 120.05 1uh6 h LYS 55 Ca 0.08 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1uh6 h LYS 55 Cb 0.19 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1uh6 h LYS 55 CO -0.01 0.19 -0.03 0.87 -0.57 0.00 0.00 179.45 179.91 1uh6 h LYS 56 N 0.30 0.08 0.59 3.15 1.57 -1.33 0.12 116.57 121.05 1uh6 h LYS 56 Ca 0.32 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1uh6 h LYS 56 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1uh6 h LYS 56 CO -0.38 0.05 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.01 1uh6 h LEU 57 N 0.08 -1.26 -0.80 2.94 3.38 -0.63 0.39 115.31 119.41 1uh6 h LEU 57 Ca 0.24 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1uh6 h LEU 57 Cb 0.37 0.40 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 1uh6 h LEU 57 CO -0.43 -0.67 -0.40 0.40 0.09 0.00 0.00 178.44 177.44 1uh6 h ILE 58 N -1.03 0.07 -0.85 1.22 2.04 -0.49 1.69 117.51 120.16 1uh6 h ILE 58 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1uh6 h ILE 58 Cb 0.87 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1uh6 h ILE 58 CO 0.01 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.71 1uh6 h ALA 59 N 1.06 1.63 -0.30 1.87 0.00 -0.42 0.61 119.26 123.70 1uh6 h ALA 59 Ca 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1uh6 h ALA 59 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1uh6 h ALA 59 CO -0.84 0.22 -0.24 0.00 0.00 0.00 0.00 179.25 178.40 1uh6 h ALA 60 N 1.56 1.03 0.13 0.00 0.00 0.63 0.82 119.26 123.43 1uh6 h ALA 60 Ca 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1uh6 h ALA 60 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uh6 h ALA 60 CO -0.15 0.58 -0.06 1.96 0.00 0.00 0.00 179.25 181.58 1uh6 h GLN 61 N 0.51 -0.17 -0.38 0.00 1.08 0.40 -3.35 115.11 113.19 1uh6 h GLN 61 Ca 0.07 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1uh6 h GLN 61 Cb 0.69 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 1uh6 h GLN 61 CO 0.05 -0.11 0.19 1.79 -0.95 0.00 0.00 178.83 179.80 1uh6 h THR 62 N -0.45 0.97 0.00 -0.54 1.35 -0.00 -3.47 112.91 110.77 1uh6 h THR 62 Ca -0.02 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1uh6 h THR 62 Cb 0.14 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1uh6 h THR 62 CO 0.03 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1uh6 n GLY 63 N -1.21 1.17 0.00 5.82 0.00 0.28 -5.06 105.19 106.18 1uh6 n GLY 63 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.31 0.00 -4.61 2.61 -2.24 -0.91 -4.90 114.28 103.92 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 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.53 -0.78 0.52 -1.26 -4.74 118.95 114.33 1uh6 s ARG 65 Ca 0.00 -0.54 0.35 0.00 -0.52 0.00 0.00 55.73 55.03 1uh6 s ARG 65 Cb 0.00 -1.09 1.88 0.00 0.52 0.00 0.00 34.95 36.27 1uh6 s ARG 65 CO 0.00 0.29 2.08 0.11 0.02 0.00 0.00 175.30 177.81 1uh6 h TRP 66 N 5.68 0.00 -0.59 -0.53 5.08 -1.86 0.70 115.95 124.43 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 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1uh6 h TRP 66 CO 0.42 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 177.85 1uh6 n ASN 67 N -2.77 5.42 -1.46 0.11 0.23 -1.26 -4.04 115.26 111.49 1uh6 n ASN 67 Ca -0.02 -2.80 0.04 0.00 -0.53 0.00 0.00 54.58 51.27 1uh6 n ASN 67 Cb 0.08 -0.65 0.04 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 0.73 0.18 -3.84 -3.83 5.02 0.24 -4.82 118.16 111.85 1uh6 n LYS 68 Ca 0.27 -2.15 -0.26 0.00 -2.02 0.00 0.00 58.31 54.15 1uh6 n LYS 68 Cb 1.10 -0.17 -0.17 0.00 -0.02 0.00 0.00 35.03 35.77 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 -0.36 0.79 -0.20 -0.18 1.01 -1.18 -3.32 121.20 117.76 1uh6 s ILE 69 Ca 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1uh6 s ILE 69 Cb 0.39 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1uh6 s ILE 69 CO -0.16 0.18 -0.04 -0.69 0.00 0.00 0.00 174.94 174.23 1uh6 s VAL 70 N 1.78 3.55 -0.33 2.92 1.01 0.44 -4.94 120.40 124.85 1uh6 s VAL 70 Ca 0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1uh6 s VAL 70 Cb -0.14 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1uh6 s VAL 70 CO -0.07 0.44 0.18 -0.76 0.00 0.00 0.00 175.10 174.88 1uh6 s LEU 71 N 1.15 4.29 0.08 3.92 2.01 -1.25 -0.93 118.68 127.95 1uh6 s LEU 71 Ca 0.02 -0.58 0.07 0.00 0.01 0.00 0.00 54.13 53.65 1uh6 s LEU 71 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 1uh6 s LEU 71 CO -0.00 -0.23 -0.19 -0.54 1.01 0.00 0.00 176.35 176.39 1uh6 s LYS 72 N 1.63 1.11 -0.37 1.70 1.02 -0.03 -2.50 119.74 122.29 1uh6 s LYS 72 Ca 0.04 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.02 1uh6 s LYS 72 Cb -0.17 -1.28 0.11 0.00 -0.52 0.00 0.00 37.83 35.96 1uh6 s LYS 72 CO 0.07 0.31 0.12 0.21 -0.92 0.00 0.00 175.35 175.14 1uh6 s LYS 73 N -1.65 1.28 1.10 1.68 2.47 -0.03 0.18 119.74 124.78 1uh6 s LYS 73 Ca 0.05 -1.74 0.00 0.00 -1.56 0.00 0.00 55.97 52.71 1uh6 s LYS 73 Cb -0.10 -2.72 0.00 0.00 -1.46 0.00 0.00 37.83 33.56 1uh6 s LYS 73 CO 0.03 -1.01 0.00 0.91 0.16 0.00 0.00 175.35 175.44 1uh6 n TRP 74 N 4.19 0.00 0.00 4.03 7.02 -1.26 -1.44 117.44 129.98 1uh6 n TRP 74 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1uh6 n TRP 74 Cb 0.40 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1uh6 n TRP 74 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1uh6 n TYR 75 N 0.00 0.00 -1.87 -5.99 4.02 -1.26 -5.06 117.16 107.00 1uh6 n TYR 75 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1uh6 n TYR 75 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1uh6 s THR 76 N -1.89 2.53 0.02 -0.72 2.01 -0.52 -5.03 115.64 112.04 1uh6 s THR 76 Ca 0.00 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.35 1uh6 s THR 76 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1uh6 s THR 76 CO 0.00 -0.09 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.14 1uh6 s ILE 77 N -1.67 3.59 -0.43 1.82 1.09 -1.26 -0.85 121.20 123.49 1uh6 s ILE 77 Ca 0.77 -0.87 -0.15 0.00 -1.10 0.00 0.00 60.65 59.30 1uh6 s ILE 77 Cb -0.31 -2.58 0.04 0.00 -1.06 0.00 0.00 42.46 38.55 1uh6 s ILE 77 CO 0.36 0.34 0.35 -0.36 -0.10 0.00 0.00 174.94 175.53 1uh6 s PHE 78 N -1.04 3.23 1.07 3.97 0.40 -1.04 -4.95 117.98 119.61 1uh6 s PHE 78 Ca 0.18 -0.66 -0.13 0.00 -0.60 0.00 0.00 56.93 55.73 1uh6 s PHE 78 Cb -0.11 -2.80 0.23 0.00 0.51 0.00 0.00 43.02 40.85 1uh6 s PHE 78 CO 0.09 -0.67 1.07 0.15 0.70 0.00 0.00 175.22 176.55 1uh6 s LYS 79 N 1.74 -0.14 0.18 0.44 -0.14 -1.26 -4.75 119.74 115.80 1uh6 s LYS 79 Ca 0.06 0.66 0.23 0.00 -1.36 0.00 0.00 55.97 55.56 1uh6 s LYS 79 Cb -0.20 -1.66 -0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1uh6 s LYS 79 CO 0.10 -3.16 1.00 -0.25 -0.76 0.00 0.00 175.35 172.28 1uh6 n ASP 80 N -4.49 0.77 -1.85 2.83 9.92 -1.26 -3.75 116.55 118.72 1uh6 n ASP 80 Ca 0.04 0.28 -0.10 0.00 -0.53 0.00 0.00 54.79 54.48 1uh6 n ASP 80 Cb 0.56 0.58 0.21 0.00 -0.64 0.00 0.00 41.12 41.83 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uh6 n HIS 81 N -2.61 2.18 -3.96 1.24 1.44 -1.26 -3.42 115.22 108.83 1uh6 n HIS 81 Ca -0.00 -1.22 -0.28 0.00 -2.01 0.00 0.00 57.72 54.21 1uh6 n HIS 81 Cb 0.55 -0.67 -0.17 0.00 0.12 0.00 0.00 29.99 29.81 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 -2.56 1.18 0.50 0.61 1.01 -1.25 -5.06 120.40 114.84 1uh6 s VAL 82 Ca 0.45 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1uh6 s VAL 82 Cb 0.37 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1uh6 s VAL 82 CO 0.10 0.39 0.88 -0.94 0.00 0.00 0.00 175.10 175.53 1uh6 s SER 83 N 1.61 6.37 0.35 3.32 1.04 -1.26 -3.00 113.70 122.13 1uh6 s SER 83 Ca 0.04 1.21 0.04 0.00 0.48 0.00 0.00 55.95 57.72 1uh6 s SER 83 Cb -0.13 -2.37 0.68 0.00 0.10 0.00 0.00 66.02 64.30 1uh6 s SER 83 CO -0.08 -0.61 1.97 -0.07 0.98 0.00 0.00 173.24 175.42 1uh6 h LEU 84 N 0.44 0.72 -1.65 2.42 -0.00 -1.70 0.16 115.31 115.71 1uh6 h LEU 84 Ca -0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1uh6 h LEU 84 Cb 1.19 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1uh6 h LEU 84 CO 0.62 0.48 0.12 1.23 -0.00 0.00 0.00 178.44 180.89 1uh6 h GLY 85 N 0.83 0.00 0.33 0.83 0.00 -1.91 0.35 103.07 103.51 1uh6 h GLY 85 Ca 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.47 1uh6 h GLY 85 CO -0.09 0.00 -0.78 -0.55 0.00 0.00 0.00 176.54 175.12 1uh6 h ASP 86 N 0.00 0.22 -0.02 0.19 5.19 -1.03 -3.29 116.42 117.67 1uh6 h ASP 86 Ca 0.00 -0.87 0.00 0.00 -0.62 0.00 0.00 57.03 55.54 1uh6 h ASP 86 Cb 0.23 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1uh6 h ASP 86 CO 0.00 1.34 0.00 -1.22 -3.12 0.00 0.00 179.24 176.24 1uh6 n TYR 87 N -4.28 0.03 -2.27 4.55 4.01 -0.13 -4.55 117.16 114.52 1uh6 n TYR 87 Ca -0.18 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.44 1uh6 n TYR 87 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 1uh6 n TYR 87 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1uh6 n GLU 88 N -0.54 -2.16 -1.03 -0.72 2.13 0.11 -4.84 120.64 113.59 1uh6 n GLU 88 Ca 0.19 0.53 -0.36 0.00 0.66 0.00 0.00 57.16 58.18 1uh6 n GLU 88 Cb 0.18 -5.05 0.04 0.00 0.27 0.00 0.00 31.44 26.87 1uh6 n GLU 88 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1uh6 n ILE 89 N -3.01 0.02 -5.02 6.31 5.41 -1.09 -4.97 119.36 117.01 1uh6 n ILE 89 Ca -0.12 -0.49 -0.29 0.00 1.00 0.00 0.00 62.75 62.85 1uh6 n ILE 89 Cb 0.56 -0.03 -0.15 0.00 -0.71 0.00 0.00 39.64 39.30 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 -2.01 2.15 -0.11 1.39 3.76 -1.26 -4.98 115.29 114.22 1uh6 s HIS 90 Ca 0.43 -0.40 -0.35 0.00 -0.15 0.00 0.00 55.06 54.59 1uh6 s HIS 90 Cb -0.22 -1.34 -0.12 0.00 1.11 0.00 0.00 32.58 32.01 1uh6 s HIS 90 CO 0.80 0.03 1.86 -0.40 -0.85 0.00 0.00 174.74 176.18 1uh6 n ASP 91 N 2.18 3.30 0.00 1.40 5.68 -1.26 -0.09 116.55 127.75 1uh6 n ASP 91 Ca -0.16 0.99 0.00 0.00 -0.50 0.00 0.00 54.79 55.12 1uh6 n ASP 91 Cb 0.52 -1.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 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 4.36 0.82 3.01 6.12 0.00 0.31 -4.89 105.19 114.92 1uh6 n GLY 92 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.15 -0.01 -3.73 1.61 1.56 0.86 -4.48 117.12 111.78 1uh6 n MET 93 Ca 0.00 -0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 1uh6 n MET 93 Cb 0.00 -1.02 -0.16 0.00 2.15 0.00 0.00 33.22 34.19 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 -1.03 3.36 0.27 6.12 0.01 -1.26 -0.84 114.94 121.57 1uh6 s ASN 94 Ca 0.40 -1.13 0.04 0.00 -0.71 0.00 0.00 52.86 51.46 1uh6 s ASN 94 Cb -0.17 -0.69 -0.03 0.00 0.41 0.00 0.00 41.25 40.76 1uh6 s ASN 94 CO 0.82 -0.35 0.41 -0.76 -1.51 0.00 0.00 177.10 175.71 1uh6 s LEU 95 N 1.78 4.24 -0.45 0.60 2.01 -0.87 -4.95 118.68 121.04 1uh6 s LEU 95 Ca 0.03 0.17 -0.26 0.00 0.01 0.00 0.00 54.13 54.08 1uh6 s LEU 95 Cb -0.17 -2.98 0.03 0.00 0.01 0.00 0.00 46.19 43.07 1uh6 s LEU 95 CO -0.16 -0.13 0.96 -1.61 1.01 0.00 0.00 176.35 176.42 1uh6 s GLU 96 N -4.07 3.60 -0.15 1.70 0.41 0.48 -1.67 118.70 119.00 1uh6 s GLU 96 Ca 0.36 0.28 -0.19 0.00 -0.41 0.00 0.00 54.97 55.00 1uh6 s GLU 96 Cb -0.09 -3.91 -0.04 0.00 -1.78 0.00 0.00 34.13 28.32 1uh6 s GLU 96 CO 0.31 -1.21 0.53 -1.17 -0.49 0.00 0.00 175.26 173.24 1uh6 s LEU 97 N 3.82 4.22 -0.03 1.80 2.96 -0.86 -0.85 118.68 129.72 1uh6 s LEU 97 Ca 0.39 0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 1uh6 s LEU 97 Cb -0.10 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.84 1uh6 s LEU 97 CO 0.26 -0.11 0.08 -0.31 -1.32 0.00 0.00 176.35 174.95 1uh6 s TYR 98 N 1.15 -0.08 -0.07 5.38 2.02 -0.10 -4.55 117.35 121.10 1uh6 s TYR 98 Ca 0.27 0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 57.08 1uh6 s TYR 98 Cb -0.16 -0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 1uh6 s TYR 98 CO 0.11 -0.06 0.29 0.71 -1.57 0.00 0.00 175.55 175.03 1uh6 s TYR 99 N 0.32 3.63 -2.00 2.71 2.02 -1.26 0.17 117.35 122.94 1uh6 s TYR 99 Ca -0.02 0.76 0.27 0.00 -0.37 0.00 0.00 57.07 57.70 1uh6 s TYR 99 Cb -0.04 -2.18 1.62 0.00 -0.40 0.00 0.00 41.96 40.96 1uh6 s TYR 99 CO -0.01 0.59 1.96 1.04 -1.57 0.00 0.00 175.55 177.57