#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 1.70 0.12 0.03 1.02 -1.26 -5.13 119.74 116.22 1uh6 s LYS 2 Ca 0.00 -1.00 -0.34 0.00 0.02 0.00 0.00 55.97 54.65 1uh6 s LYS 2 Cb 0.00 0.54 -0.14 0.00 -0.52 0.00 0.00 37.83 37.71 1uh6 s LYS 2 CO 0.00 -0.79 1.61 0.41 -0.92 0.00 0.00 175.35 175.67 1uh6 n GLY 3 N -0.50 1.14 0.81 -3.33 0.00 -1.26 -4.88 105.19 97.17 1uh6 n GLY 3 Ca -0.05 0.69 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 1uh6 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uh6 n SER 4 N 3.88 1.20 -4.90 1.61 2.88 -1.26 -5.08 113.62 111.95 1uh6 n SER 4 Ca 0.18 0.17 -0.20 0.00 -1.33 0.00 0.00 58.87 57.69 1uh6 n SER 4 Cb 0.28 -0.41 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 1uh6 n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uh6 s SER 5 N -5.93 5.45 -0.12 -3.46 0.15 -1.26 -5.13 113.70 103.40 1uh6 s SER 5 Ca -0.08 -0.45 -0.33 0.00 0.70 0.00 0.00 55.95 55.80 1uh6 s SER 5 Cb 0.01 -0.97 0.13 0.00 -1.71 0.00 0.00 66.02 63.49 1uh6 s SER 5 CO 0.11 -0.43 1.24 -1.38 1.20 0.00 0.00 173.24 173.98 1uh6 s HIS 6 N -2.30 -0.09 0.25 3.44 -0.00 -1.26 -5.17 115.29 110.16 1uh6 s HIS 6 Ca 0.44 0.02 0.05 0.00 -0.00 0.00 0.00 55.06 55.56 1uh6 s HIS 6 Cb -0.07 0.53 -0.03 0.00 -0.00 0.00 0.00 32.58 33.01 1uh6 s HIS 6 CO 0.28 -0.23 0.38 -1.01 -0.00 0.00 0.00 174.74 174.16 1uh6 s HIS 7 N -2.41 3.45 0.40 0.38 3.76 -1.26 -5.12 115.29 114.49 1uh6 s HIS 7 Ca 0.11 0.01 0.08 0.00 -0.15 0.00 0.00 55.06 55.11 1uh6 s HIS 7 Cb 0.01 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1uh6 s HIS 7 CO -0.04 0.40 0.47 -1.58 -0.85 0.00 0.00 174.74 173.14 1uh6 s HIS 8 N -2.01 2.81 0.31 1.40 2.46 -1.26 -5.14 115.29 113.86 1uh6 s HIS 8 Ca 0.35 -0.41 0.08 0.00 0.47 0.00 0.00 55.06 55.55 1uh6 s HIS 8 Cb -0.09 -2.22 -0.06 0.00 -0.13 0.00 0.00 32.58 30.08 1uh6 s HIS 8 CO 0.30 -0.22 -0.07 -1.01 -2.47 0.00 0.00 174.74 171.26 1uh6 s HIS 9 N -2.37 2.17 0.88 3.88 3.76 -1.26 -5.13 115.29 117.22 1uh6 s HIS 9 Ca 0.50 -0.61 -0.12 0.00 -0.15 0.00 0.00 55.06 54.69 1uh6 s HIS 9 Cb -0.07 -1.25 0.11 0.00 1.11 0.00 0.00 32.58 32.48 1uh6 s HIS 9 CO 0.30 0.42 1.08 1.58 -0.85 0.00 0.00 174.74 177.28 1uh6 n HIS 10 N -0.69 0.75 -3.81 1.40 -0.00 -1.26 -5.04 115.22 106.57 1uh6 n HIS 10 Ca -0.05 0.39 -0.13 0.00 0.46 0.00 0.00 57.72 58.38 1uh6 n HIS 10 Cb 0.64 -2.02 -0.14 0.00 -0.12 0.00 0.00 29.99 28.35 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 -2.42 -0.07 0.56 1.57 2.46 -1.26 -5.14 115.29 111.00 1uh6 s HIS 11 Ca 0.68 0.22 -0.21 0.00 0.47 0.00 0.00 55.06 56.22 1uh6 s HIS 11 Cb -0.25 -0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.11 1uh6 s HIS 11 CO 0.56 -0.07 1.36 -1.13 -2.47 0.00 0.00 174.74 172.99 1uh6 n SER 12 N 3.48 2.64 -3.86 9.88 3.41 -1.26 -5.02 113.62 122.88 1uh6 n SER 12 Ca -0.18 0.96 -0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1uh6 n SER 12 Cb 0.56 -1.58 -0.11 0.00 -0.26 0.00 0.00 64.21 62.82 1uh6 n SER 12 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uh6 s SER 13 N -0.97 -0.03 0.00 4.04 0.01 -1.26 -5.09 113.70 110.40 1uh6 s SER 13 Ca 0.73 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 1uh6 s SER 13 Cb -0.41 0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1uh6 s SER 13 CO 0.48 -0.20 0.69 1.23 0.41 0.00 0.00 173.24 175.85 1uh6 h GLY 14 N 5.15 -0.09 -7.02 3.44 0.00 -2.08 -3.42 103.07 99.05 1uh6 h GLY 14 Ca -0.28 0.03 -0.69 0.00 0.00 0.00 0.00 47.33 46.40 1uh6 h GLY 14 CO 0.42 -0.03 1.42 0.00 0.00 0.00 0.00 176.54 178.35 1uh6 n ALA 15 N -2.07 0.65 -2.80 3.60 0.00 -1.26 -4.87 120.51 113.76 1uh6 n ALA 15 Ca -0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 1uh6 n ALA 15 Cb 0.03 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 1uh6 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uh6 s SER 16 N 7.16 5.73 -0.13 0.00 0.15 -1.26 -5.07 113.70 120.27 1uh6 s SER 16 Ca 1.16 -0.87 -0.15 0.00 0.70 0.00 0.00 55.95 56.78 1uh6 s SER 16 Cb -1.13 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 61.11 1uh6 s SER 16 CO 0.55 -0.34 0.36 -1.48 1.20 0.00 0.00 173.24 173.53 1uh6 s LEU 17 N 1.58 4.28 -0.42 3.45 2.34 -1.26 -5.02 118.68 123.63 1uh6 s LEU 17 Ca 0.03 0.65 0.05 0.00 0.06 0.00 0.00 54.13 54.92 1uh6 s LEU 17 Cb -0.19 -2.50 0.19 0.00 -0.56 0.00 0.00 46.19 43.13 1uh6 s LEU 17 CO 0.07 0.09 0.41 1.33 -1.06 0.00 0.00 176.35 177.18 1uh6 n VAL 18 N 3.43 -1.04 -2.46 1.48 0.24 -1.26 -5.10 118.33 113.63 1uh6 n VAL 18 Ca -0.10 -3.32 -0.42 0.00 -2.04 0.00 0.00 64.34 58.46 1uh6 n VAL 18 Cb 0.52 -1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 1uh6 n VAL 18 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1uh6 s PRO 19 N -0.08 4.42 0.42 7.34 0.04 -1.26 -4.82 135.00 141.07 1uh6 s PRO 19 Ca 0.33 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1uh6 s PRO 19 Cb 0.06 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1uh6 s PRO 19 CO -0.18 -0.28 0.00 -2.13 0.04 0.00 0.00 177.00 174.45 1uh6 n ARG 20 N 4.24 -2.80 -1.53 4.56 3.00 -1.26 -4.58 116.66 118.29 1uh6 n ARG 20 Ca 0.09 2.06 -0.49 0.00 -0.00 0.00 0.00 57.85 59.52 1uh6 n ARG 20 Cb 0.47 -3.35 -0.06 0.00 0.00 0.00 0.00 32.46 29.52 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uh6 n GLY 21 N -4.11 0.79 3.80 5.14 0.00 -1.26 -4.88 105.19 104.67 1uh6 n GLY 21 Ca -0.03 0.89 -0.05 0.00 0.00 0.00 0.00 46.02 46.83 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uh6 s SER 22 N 6.78 -0.20 -0.48 1.61 1.04 -1.26 -5.10 113.70 116.09 1uh6 s SER 22 Ca 1.04 -0.51 -0.44 0.00 0.48 0.00 0.00 55.95 56.52 1uh6 s SER 22 Cb -0.73 0.59 -0.19 0.00 0.10 0.00 0.00 66.02 65.79 1uh6 s SER 22 CO 0.48 -1.09 1.91 -0.62 0.98 0.00 0.00 173.24 174.89 1uh6 n GLU 23 N -0.47 0.13 0.00 4.02 1.02 -1.26 -4.51 120.64 119.57 1uh6 n GLU 23 Ca -0.05 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1uh6 n GLU 23 Cb 0.60 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uh6 n GLY 24 N 5.87 2.47 3.81 0.62 0.00 -1.26 -4.91 105.19 111.79 1uh6 n GLY 24 Ca 0.43 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.95 -0.62 4.61 0.00 -1.26 -5.04 121.76 118.50 1uh6 s ALA 25 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1uh6 s ALA 25 Cb 0.00 0.82 0.17 0.00 0.00 0.00 0.00 23.12 24.11 1uh6 s ALA 25 CO 0.00 -1.00 0.44 0.00 0.00 0.00 0.00 175.76 175.19 1uh6 s ALA 26 N -3.40 3.16 0.42 0.00 0.00 -1.26 -4.63 121.76 116.04 1uh6 s ALA 26 Ca 0.14 -3.44 -0.10 0.00 0.00 0.00 0.00 51.96 48.55 1uh6 s ALA 26 Cb -0.05 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.99 1uh6 s ALA 26 CO 0.09 -2.06 0.78 0.99 0.00 0.00 0.00 175.76 175.56 1uh6 s THR 27 N -0.98 4.78 -0.19 0.00 2.01 -1.26 -4.84 115.64 115.16 1uh6 s THR 27 Ca 0.26 0.61 -0.15 0.00 0.31 0.00 0.00 61.69 62.73 1uh6 s THR 27 Cb -0.04 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1uh6 s THR 27 CO -0.16 -0.56 0.36 -0.04 -0.69 0.00 0.00 174.62 173.52 1uh6 s MET 28 N -3.95 4.20 0.01 4.92 -1.94 -1.26 -2.50 119.30 118.76 1uh6 s MET 28 Ca 0.51 0.15 0.01 0.00 -1.71 0.00 0.00 55.69 54.65 1uh6 s MET 28 Cb -0.10 -3.50 -0.01 0.00 2.01 0.00 0.00 34.83 33.23 1uh6 s MET 28 CO 0.33 0.05 -0.03 0.96 -0.01 0.00 0.00 175.02 176.32 1uh6 s ILE 29 N 1.04 0.18 -0.16 2.53 -4.36 0.21 -4.96 121.20 115.67 1uh6 s ILE 29 Ca 0.18 -0.32 -0.04 0.00 -0.26 0.00 0.00 60.65 60.20 1uh6 s ILE 29 Cb -0.14 -0.20 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 1uh6 s ILE 29 CO 0.07 -0.09 -0.02 -0.70 0.24 0.00 0.00 174.94 174.44 1uh6 s GLU 30 N -0.44 3.71 0.54 0.37 2.12 -1.26 -1.79 118.70 121.95 1uh6 s GLU 30 Ca -0.03 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.87 1uh6 s GLU 30 Cb -0.03 -2.98 0.06 0.00 0.26 0.00 0.00 34.13 31.44 1uh6 s GLU 30 CO -0.00 0.22 0.74 0.14 -0.54 0.00 0.00 175.26 175.82 1uh6 s VAL 31 N 0.44 2.50 -0.31 3.70 -7.23 -0.98 0.18 120.40 118.70 1uh6 s VAL 31 Ca -0.02 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1uh6 s VAL 31 Cb -0.14 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.30 1uh6 s VAL 31 CO 0.02 0.00 0.11 -0.69 -0.31 0.00 0.00 175.10 174.23 1uh6 s VAL 32 N -2.64 0.76 -0.35 1.32 1.01 0.17 -3.00 120.40 117.67 1uh6 s VAL 32 Ca 0.60 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1uh6 s VAL 32 Cb -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1uh6 s VAL 32 CO 0.38 -0.70 1.21 0.00 0.00 0.00 0.00 175.10 175.99 1uh6 s ASN 34 N 2.46 6.17 0.74 0.00 0.01 -0.50 -2.05 114.94 121.77 1uh6 s ASN 34 Ca 0.52 -0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 51.85 1uh6 s ASN 34 Cb -0.13 -2.48 0.12 0.00 0.41 0.00 0.00 41.25 39.17 1uh6 s ASN 34 CO 0.23 -1.61 1.03 1.51 -1.51 0.00 0.00 177.10 176.75 1uh6 s ASP 35 N 3.71 4.31 -0.38 -1.22 1.47 -1.26 -1.07 116.67 122.24 1uh6 s ASP 35 Ca 0.28 -0.08 0.07 0.00 1.18 0.00 0.00 52.55 53.99 1uh6 s ASP 35 Cb -0.13 -0.34 0.70 0.00 -0.34 0.00 0.00 42.92 42.81 1uh6 s ASP 35 CO 0.12 -1.89 1.84 0.54 0.68 0.00 0.00 175.17 176.46 1uh6 n ARG 36 N -2.95 2.91 -0.01 2.11 5.12 -1.26 -4.15 116.66 118.43 1uh6 n ARG 36 Ca 0.13 -3.06 0.02 0.00 -1.93 0.00 0.00 57.85 53.01 1uh6 n ARG 36 Cb 0.60 -2.18 -0.12 0.00 -1.16 0.00 0.00 32.46 29.61 1uh6 n ARG 36 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1uh6 n LEU 37 N -0.69 0.40 0.00 0.55 4.77 -1.26 -4.99 117.00 115.78 1uh6 n LEU 37 Ca 0.50 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1uh6 n LEU 37 Cb 1.51 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.74 1uh6 n LEU 37 CO 0.50 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1uh6 n GLY 38 N 1.43 2.44 3.83 -0.72 0.00 -1.26 -5.08 105.19 105.83 1uh6 n GLY 38 Ca -0.13 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 3.28 0.73 1.61 -2.85 -1.26 -5.03 119.74 116.22 1uh6 s LYS 39 Ca 0.00 -0.29 -0.11 0.00 -1.00 0.00 0.00 55.97 54.57 1uh6 s LYS 39 Cb 0.00 -3.03 0.04 0.00 -2.06 0.00 0.00 37.83 32.78 1uh6 s LYS 39 CO 0.00 0.72 1.10 0.15 0.10 0.00 0.00 175.35 177.42 1uh6 s LYS 40 N -1.32 2.54 -0.06 1.78 1.02 -1.26 -4.39 119.74 118.05 1uh6 s LYS 40 Ca 0.19 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.45 1uh6 s LYS 40 Cb -0.12 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1uh6 s LYS 40 CO 0.08 -1.19 -0.10 0.08 -0.92 0.00 0.00 175.35 173.30 1uh6 s VAL 41 N -3.38 0.99 -0.18 3.17 1.01 -0.87 -4.98 120.40 116.15 1uh6 s VAL 41 Ca 0.59 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1uh6 s VAL 41 Cb -0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1uh6 s VAL 41 CO 0.50 0.32 -0.03 -0.13 0.00 0.00 0.00 175.10 175.76 1uh6 s ARG 42 N 0.76 3.59 -0.01 2.72 0.52 -1.26 -0.31 118.95 124.95 1uh6 s ARG 42 Ca -0.13 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1uh6 s ARG 42 Cb -0.15 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1uh6 s ARG 42 CO 0.02 0.09 -0.18 0.08 0.02 0.00 0.00 175.30 175.33 1uh6 s VAL 43 N 0.77 1.40 -0.02 3.52 1.01 -1.16 -4.98 120.40 120.94 1uh6 s VAL 43 Ca -0.01 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1uh6 s VAL 43 Cb -0.14 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1uh6 s VAL 43 CO 0.02 0.39 0.67 -0.54 0.00 0.00 0.00 175.10 175.64 1uh6 s LYS 44 N -0.43 4.41 0.29 2.72 1.02 -1.26 -2.31 119.74 124.17 1uh6 s LYS 44 Ca 0.07 0.85 -0.11 0.00 0.02 0.00 0.00 55.97 56.80 1uh6 s LYS 44 Cb -0.07 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1uh6 s LYS 44 CO -0.01 0.23 0.53 0.00 -0.92 0.00 0.00 175.35 175.19 1uh6 s ASN 46 N -3.07 2.87 0.55 0.00 0.01 -1.26 -0.62 114.94 113.41 1uh6 s ASN 46 Ca 0.23 -1.17 0.33 0.00 -0.71 0.00 0.00 52.86 51.54 1uh6 s ASN 46 Cb -0.02 -0.19 1.43 0.00 0.41 0.00 0.00 41.25 42.89 1uh6 s ASN 46 CO 0.12 -0.30 2.01 0.71 -1.51 0.00 0.00 177.10 178.13 1uh6 h THR 47 N 2.28 0.14 0.00 1.60 1.35 -1.81 -1.89 112.91 114.58 1uh6 h THR 47 Ca -0.40 -0.55 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 1uh6 h THR 47 Cb 1.24 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1uh6 h THR 47 CO 0.67 0.05 -0.28 -0.78 -0.25 0.00 0.00 175.52 174.92 1uh6 h ASP 48 N 0.00 0.00 -3.22 5.36 3.58 -1.85 -3.34 116.42 116.95 1uh6 h ASP 48 Ca -0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 1uh6 h ASP 48 Cb 0.47 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 1uh6 h ASP 48 CO 0.01 0.28 -0.11 -1.81 -2.88 0.00 0.00 179.24 174.73 1uh6 s ASP 49 N -6.44 6.85 0.56 2.28 1.01 -0.71 -5.03 116.67 115.19 1uh6 s ASP 49 Ca -0.01 1.01 -0.06 0.00 0.71 0.00 0.00 52.55 54.20 1uh6 s ASP 49 Cb 0.12 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1uh6 s ASP 49 CO 0.66 0.16 0.87 0.42 0.21 0.00 0.00 175.17 177.48 1uh6 s THR 50 N -0.31 4.03 0.26 -1.27 -4.23 -1.26 -4.01 115.64 108.85 1uh6 s THR 50 Ca 0.27 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 1uh6 s THR 50 Cb -0.17 -3.58 0.38 0.00 1.34 0.00 0.00 72.50 70.47 1uh6 s THR 50 CO 0.14 -0.59 1.55 -0.38 -0.54 0.00 0.00 174.62 174.80 1uh6 n ILE 51 N -2.49 -0.45 -0.15 2.99 2.08 0.40 0.40 119.36 122.15 1uh6 n ILE 51 Ca 0.03 2.29 -0.08 0.00 0.56 0.00 0.00 62.75 65.56 1uh6 n ILE 51 Cb 0.57 -3.12 -0.02 0.00 -0.75 0.00 0.00 39.64 36.32 1uh6 n ILE 51 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1uh6 h GLY 52 N 0.00 -0.34 0.70 7.39 0.00 -1.66 0.74 103.07 109.90 1uh6 h GLY 52 Ca 0.43 0.48 0.07 0.00 0.00 0.00 0.00 47.33 48.31 1uh6 h GLY 52 CO -1.01 -0.19 0.59 -0.55 0.00 0.00 0.00 176.54 175.38 1uh6 h ASP 53 N -0.25 0.93 -0.37 0.19 5.19 -0.30 -0.53 116.42 121.28 1uh6 h ASP 53 Ca 0.18 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1uh6 h ASP 53 Cb 0.56 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1uh6 h ASP 53 CO -0.60 0.58 0.23 0.25 -3.12 0.00 0.00 179.24 176.58 1uh6 h LEU 54 N 1.06 0.44 -0.86 1.55 5.85 0.17 -1.89 115.31 121.62 1uh6 h LEU 54 Ca 0.41 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1uh6 h LEU 54 Cb 0.20 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1uh6 h LEU 54 CO -0.18 0.35 0.52 0.11 -0.34 0.00 0.00 178.44 178.90 1uh6 h LYS 55 N 0.48 0.90 0.15 1.25 1.57 0.16 -0.21 116.57 120.86 1uh6 h LYS 55 Ca 0.13 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1uh6 h LYS 55 Cb -0.01 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1uh6 h LYS 55 CO -0.03 0.59 -0.33 0.87 -0.57 0.00 0.00 179.45 179.98 1uh6 h LYS 56 N 0.92 -0.56 0.09 3.15 1.57 -0.39 0.17 116.57 121.53 1uh6 h LYS 56 Ca 0.39 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1uh6 h LYS 56 Cb 0.25 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1uh6 h LYS 56 CO -0.20 -0.37 -0.37 -0.07 -0.57 0.00 0.00 179.45 177.86 1uh6 h LEU 57 N -0.58 -1.10 -0.50 2.94 3.38 -0.72 0.35 115.31 119.09 1uh6 h LEU 57 Ca 0.02 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1uh6 h LEU 57 Cb 0.60 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1uh6 h LEU 57 CO -0.18 -0.45 -0.54 0.40 0.09 0.00 0.00 178.44 177.76 1uh6 h ILE 58 N -0.59 0.00 -0.91 1.22 2.04 -0.67 1.68 117.51 120.29 1uh6 h ILE 58 Ca 0.03 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.16 1uh6 h ILE 58 Cb 0.63 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1uh6 h ILE 58 CO -0.24 0.00 0.67 0.00 0.00 0.00 0.00 178.15 178.58 1uh6 h ALA 59 N 0.00 2.85 0.07 1.87 0.00 -0.19 1.02 119.26 124.88 1uh6 h ALA 59 Ca 0.09 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 1uh6 h ALA 59 Cb 0.54 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1uh6 h ALA 59 CO -0.63 -1.13 -1.14 0.00 0.00 0.00 0.00 179.25 176.35 1uh6 h ALA 60 N 1.52 0.12 -0.10 0.00 0.00 0.41 0.80 119.26 122.01 1uh6 h ALA 60 Ca 0.43 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1uh6 h ALA 60 Cb 1.76 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1uh6 h ALA 60 CO -0.00 0.75 -0.13 1.96 0.00 0.00 0.00 179.25 181.82 1uh6 h GLN 61 N 0.27 0.27 0.02 0.00 1.08 0.82 -3.33 115.11 114.25 1uh6 h GLN 61 Ca -0.15 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1uh6 h GLN 61 Cb 1.80 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.24 1uh6 h GLN 61 CO 0.21 0.71 -0.01 1.79 -0.95 0.00 0.00 178.83 180.58 1uh6 h THR 62 N -0.15 1.44 0.00 -0.54 1.35 0.54 -3.49 112.91 112.07 1uh6 h THR 62 Ca 0.01 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1uh6 h THR 62 Cb 0.67 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1uh6 h THR 62 CO 0.03 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1uh6 n GLY 63 N 1.18 1.77 0.00 5.82 0.00 0.27 -5.06 105.19 109.17 1uh6 n GLY 63 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.40 2.61 -2.24 -0.89 -4.85 114.28 104.51 1uh6 n THR 64 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 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 1.43 0.34 -0.78 0.52 -1.26 -4.64 118.95 114.56 1uh6 s ARG 65 Ca 0.00 -1.40 0.27 0.00 -0.52 0.00 0.00 55.73 54.08 1uh6 s ARG 65 Cb 0.00 -1.87 0.98 0.00 0.52 0.00 0.00 34.95 34.59 1uh6 s ARG 65 CO 0.00 0.43 1.79 0.11 0.02 0.00 0.00 175.30 177.65 1uh6 h TRP 66 N 3.68 0.00 -0.62 -0.53 5.08 -1.86 -1.71 115.95 119.98 1uh6 h TRP 66 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 1uh6 h TRP 66 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1uh6 h TRP 66 CO 0.63 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 178.06 1uh6 n ASN 67 N -2.55 5.10 -1.59 0.11 6.94 -1.26 -4.01 115.26 118.00 1uh6 n ASN 67 Ca 0.03 -2.62 0.04 0.00 -0.02 0.00 0.00 54.58 52.01 1uh6 n ASN 67 Cb 0.32 -0.62 0.03 0.00 -2.36 0.00 0.00 39.78 37.15 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uh6 n LYS 68 N 0.95 0.26 -3.88 -3.83 5.02 -0.65 -4.82 118.16 111.22 1uh6 n LYS 68 Ca 0.26 -2.22 -0.26 0.00 -2.02 0.00 0.00 58.31 54.07 1uh6 n LYS 68 Cb 1.00 -0.25 -0.17 0.00 -0.02 0.00 0.00 35.03 35.59 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 -0.55 0.91 -0.24 -0.18 1.01 -1.22 -3.08 121.20 117.86 1uh6 s ILE 69 Ca 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 1uh6 s ILE 69 Cb 0.38 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.91 1uh6 s ILE 69 CO -0.15 0.34 -0.08 -0.69 0.00 0.00 0.00 174.94 174.36 1uh6 s VAL 70 N 1.75 2.79 -0.34 2.92 1.01 0.25 -4.96 120.40 123.82 1uh6 s VAL 70 Ca 0.05 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1uh6 s VAL 70 Cb -0.13 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1uh6 s VAL 70 CO -0.08 0.26 0.30 -0.76 0.00 0.00 0.00 175.10 174.82 1uh6 s LEU 71 N 1.33 4.51 0.12 3.92 1.43 -1.26 -1.47 118.68 127.25 1uh6 s LEU 71 Ca 0.01 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1uh6 s LEU 71 Cb -0.16 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1uh6 s LEU 71 CO -0.06 -0.29 -0.19 -0.54 0.23 0.00 0.00 176.35 175.50 1uh6 s LYS 72 N 1.85 1.13 -0.28 1.70 1.02 -0.58 -2.68 119.74 121.91 1uh6 s LYS 72 Ca 0.09 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.88 1uh6 s LYS 72 Cb -0.17 -1.30 0.08 0.00 -0.52 0.00 0.00 37.83 35.91 1uh6 s LYS 72 CO 0.11 0.29 -0.02 0.21 -0.92 0.00 0.00 175.35 175.02 1uh6 s LYS 73 N -2.17 1.56 0.00 1.68 2.47 -0.85 0.17 119.74 122.61 1uh6 s LYS 73 Ca 0.08 -1.29 0.00 0.00 -1.56 0.00 0.00 55.97 53.21 1uh6 s LYS 73 Cb -0.09 -2.71 0.00 0.00 -1.46 0.00 0.00 37.83 33.57 1uh6 s LYS 73 CO 0.05 -0.73 0.00 0.91 0.16 0.00 0.00 175.35 175.73 1uh6 n TRP 74 N 4.55 0.00 -2.49 4.03 7.02 -1.26 -1.05 117.44 128.24 1uh6 n TRP 74 Ca -0.07 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.39 1uh6 n TRP 74 Cb 0.43 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.35 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 -0.36 -4.36 -5.99 9.36 -1.26 -5.08 117.16 109.46 1uh6 n TYR 75 Ca 0.00 -1.24 -0.24 0.00 3.32 0.00 0.00 57.90 59.74 1uh6 n TYR 75 Cb 0.00 0.54 -0.12 0.00 -0.63 0.00 0.00 39.34 39.14 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 -0.80 2.00 -0.15 2.97 2.01 -0.22 -5.13 115.64 116.32 1uh6 s THR 76 Ca 0.15 -1.92 -0.05 0.00 0.31 0.00 0.00 61.69 60.19 1uh6 s THR 76 Cb 0.29 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1uh6 s THR 76 CO -0.08 -0.21 0.01 -0.63 -0.69 0.00 0.00 174.62 173.02 1uh6 s ILE 77 N -1.81 4.38 -0.45 1.82 1.01 -1.26 -2.00 121.20 122.89 1uh6 s ILE 77 Ca 0.16 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1uh6 s ILE 77 Cb -0.07 -2.93 0.08 0.00 0.01 0.00 0.00 42.46 39.55 1uh6 s ILE 77 CO 0.07 0.50 0.34 -0.36 0.00 0.00 0.00 174.94 175.50 1uh6 s PHE 78 N 0.11 3.29 1.18 3.97 0.40 -1.09 -5.00 117.98 120.84 1uh6 s PHE 78 Ca 0.02 -1.25 -0.17 0.00 -0.60 0.00 0.00 56.93 54.93 1uh6 s PHE 78 Cb -0.13 -3.13 0.25 0.00 0.51 0.00 0.00 43.02 40.52 1uh6 s PHE 78 CO 0.02 -0.84 0.55 1.63 0.70 0.00 0.00 175.22 177.27 1uh6 n LYS 79 N 5.07 -3.21 0.02 0.44 4.76 -1.26 -4.76 118.16 119.22 1uh6 n LYS 79 Ca -0.11 -0.95 0.02 0.00 -2.87 0.00 0.00 58.31 54.39 1uh6 n LYS 79 Cb 0.43 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 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 -3.05 0.62 -2.37 4.39 5.68 -1.26 -4.11 116.55 116.46 1uh6 n ASP 80 Ca 0.08 0.27 -0.30 0.00 -0.50 0.00 0.00 54.79 54.34 1uh6 n ASP 80 Cb 0.45 0.57 0.03 0.00 -1.14 0.00 0.00 41.12 41.04 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 -2.75 2.41 -3.95 2.11 1.44 -1.26 -2.27 115.22 110.94 1uh6 n HIS 81 Ca -0.11 -2.39 -0.30 0.00 -2.01 0.00 0.00 57.72 52.91 1uh6 n HIS 81 Cb 0.81 -1.26 -0.16 0.00 0.12 0.00 0.00 29.99 29.50 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 -3.69 1.50 0.48 0.61 1.01 -1.26 -4.98 120.40 114.07 1uh6 s VAL 82 Ca 0.52 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1uh6 s VAL 82 Cb 0.40 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1uh6 s VAL 82 CO -0.14 0.02 0.96 -0.94 0.00 0.00 0.00 175.10 175.01 1uh6 s SER 83 N 1.43 6.74 0.59 3.32 1.04 -1.26 -0.45 113.70 125.12 1uh6 s SER 83 Ca -0.03 1.60 0.30 0.00 0.48 0.00 0.00 55.95 58.30 1uh6 s SER 83 Cb -0.17 -2.51 1.75 0.00 0.10 0.00 0.00 66.02 65.18 1uh6 s SER 83 CO -0.07 -0.49 2.16 -0.07 0.98 0.00 0.00 173.24 175.75 1uh6 h LEU 84 N 1.32 0.00 -0.14 2.42 -0.00 -1.70 0.61 115.31 117.82 1uh6 h LEU 84 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1uh6 h LEU 84 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1uh6 h LEU 84 CO 0.61 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.66 1uh6 n GLY 85 N -1.36 -1.53 0.07 0.83 0.00 -1.26 -0.99 105.19 100.95 1uh6 n GLY 85 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1uh6 n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uh6 h ASP 86 N 0.00 0.00 0.57 1.61 3.32 -0.13 -3.32 116.42 118.46 1uh6 h ASP 86 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1uh6 h ASP 86 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1uh6 h ASP 86 CO 0.00 0.83 0.00 -1.22 -1.72 0.00 0.00 179.24 177.13 1uh6 n TYR 87 N -4.65 0.00 -1.79 4.55 4.01 -1.10 -4.87 117.16 113.31 1uh6 n TYR 87 Ca -0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 1uh6 n TYR 87 Cb 0.29 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.33 -1.04 -1.63 -0.72 1.02 -0.35 -4.92 120.64 111.68 1uh6 n GLU 88 Ca 0.11 0.85 -0.44 0.00 -0.02 0.00 0.00 57.16 57.66 1uh6 n GLU 88 Cb 0.23 -5.03 -0.02 0.00 -0.02 0.00 0.00 31.44 26.60 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 -3.23 1.85 -4.11 -3.67 5.41 -0.16 -4.98 119.36 110.47 1uh6 n ILE 89 Ca -0.15 -0.46 -0.23 0.00 1.00 0.00 0.00 62.75 62.91 1uh6 n ILE 89 Cb 0.53 -1.19 -0.05 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.93 3.11 -0.57 1.39 3.76 -1.26 -4.84 115.29 115.94 1uh6 s HIS 90 Ca 0.59 -0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 55.15 1uh6 s HIS 90 Cb -0.67 -1.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 1uh6 s HIS 90 CO 0.59 0.52 2.00 0.34 -0.85 0.00 0.00 174.74 177.34 1uh6 s ASP 91 N -3.64 5.08 0.00 1.40 -1.08 -1.26 -2.39 116.67 114.78 1uh6 s ASP 91 Ca 0.32 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 1uh6 s ASP 91 Cb -0.08 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1uh6 s ASP 91 CO 0.24 -2.48 0.00 0.61 0.52 0.00 0.00 175.17 174.06 1uh6 n GLY 92 N 5.77 1.45 3.83 2.66 0.00 0.47 -4.79 105.19 114.57 1uh6 n GLY 92 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.03 4.17 -0.36 1.61 1.75 -1.00 -4.81 119.30 120.63 1uh6 s MET 93 Ca 0.00 0.85 -0.05 0.00 -1.25 0.00 0.00 55.69 55.24 1uh6 s MET 93 Cb 0.00 -2.62 0.07 0.00 2.84 0.00 0.00 34.83 35.11 1uh6 s MET 93 CO 0.00 0.25 0.13 -0.80 -0.65 0.00 0.00 175.02 173.95 1uh6 s ASN 94 N -1.95 5.25 0.07 1.11 0.01 -1.26 0.43 114.94 118.60 1uh6 s ASN 94 Ca 0.50 -1.46 0.06 0.00 -0.71 0.00 0.00 52.86 51.25 1uh6 s ASN 94 Cb -0.13 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 1uh6 s ASN 94 CO 0.19 -0.40 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.52 1uh6 s LEU 95 N 1.30 3.02 -0.42 0.60 1.43 -1.03 -4.91 118.68 118.68 1uh6 s LEU 95 Ca 0.01 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 1uh6 s LEU 95 Cb -0.21 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1uh6 s LEU 95 CO -0.00 0.21 1.65 -1.61 0.23 0.00 0.00 176.35 176.83 1uh6 s GLU 96 N -1.93 3.31 -0.16 1.70 2.02 0.45 -1.41 118.70 122.67 1uh6 s GLU 96 Ca 0.20 1.06 -0.21 0.00 0.02 0.00 0.00 54.97 56.03 1uh6 s GLU 96 Cb -0.11 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.93 1uh6 s GLU 96 CO 0.11 -1.90 0.65 -1.17 0.02 0.00 0.00 175.26 172.97 1uh6 s LEU 97 N 6.66 4.19 0.12 1.80 2.96 -0.23 -1.52 118.68 132.66 1uh6 s LEU 97 Ca 0.69 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.57 1uh6 s LEU 97 Cb -0.17 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1uh6 s LEU 97 CO 0.31 -0.23 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.72 1uh6 s TYR 98 N 1.59 1.08 -0.05 5.38 2.02 -0.54 -4.51 117.35 122.31 1uh6 s TYR 98 Ca 0.31 -0.85 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 1uh6 s TYR 98 Cb -0.16 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1uh6 s TYR 98 CO 0.12 -0.05 -0.25 0.71 -1.57 0.00 0.00 175.55 174.51 1uh6 s TYR 99 N -3.49 2.40 -2.00 2.71 2.02 -1.26 -0.58 117.35 117.14 1uh6 s TYR 99 Ca 0.15 -0.70 0.24 0.00 -0.37 0.00 0.00 57.07 56.39 1uh6 s TYR 99 Cb 0.04 -1.57 1.45 0.00 -0.40 0.00 0.00 41.96 41.48 1uh6 s TYR 99 CO -0.02 -0.21 1.81 1.04 -1.57 0.00 0.00 175.55 176.60