#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 2.33 0.00 0.03 3.01 -1.26 -5.08 119.74 118.78 1uh6 s LYS 2 Ca 0.00 -1.65 0.00 0.00 -1.01 0.00 0.00 55.97 53.31 1uh6 s LYS 2 Cb 0.00 -2.13 0.00 0.00 -1.01 0.00 0.00 37.83 34.69 1uh6 s LYS 2 CO 0.00 -0.00 0.00 0.41 0.51 0.00 0.00 175.35 176.27 1uh6 n GLY 3 N -1.22 1.00 3.03 -3.33 0.00 -1.26 -5.16 105.19 98.25 1uh6 n GLY 3 Ca -0.02 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 2.21 0.81 1.61 1.04 -1.26 -5.12 113.70 112.99 1uh6 s SER 4 Ca 0.00 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 1uh6 s SER 4 Cb 0.00 -0.98 0.07 0.00 0.10 0.00 0.00 66.02 65.21 1uh6 s SER 4 CO 0.00 0.01 1.10 -1.20 0.98 0.00 0.00 173.24 174.13 1uh6 n SER 5 N 4.17 0.67 -4.34 7.02 7.64 -1.26 -5.01 113.62 122.50 1uh6 n SER 5 Ca -0.19 0.57 -0.32 0.00 1.01 0.00 0.00 58.87 59.94 1uh6 n SER 5 Cb 0.51 -1.47 -0.15 0.00 -1.01 0.00 0.00 64.21 62.09 1uh6 n SER 5 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1uh6 s HIS 6 N -2.12 2.63 -0.38 1.43 3.76 -1.26 -5.07 115.29 114.28 1uh6 s HIS 6 Ca 0.72 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 1uh6 s HIS 6 Cb -0.29 -1.70 0.15 0.00 1.11 0.00 0.00 32.58 31.85 1uh6 s HIS 6 CO 0.52 -0.15 0.25 -1.58 -0.85 0.00 0.00 174.74 172.94 1uh6 s HIS 7 N -0.06 1.01 -0.11 1.40 2.46 -1.26 -5.10 115.29 113.63 1uh6 s HIS 7 Ca -0.05 -1.93 0.03 0.00 0.47 0.00 0.00 55.06 53.58 1uh6 s HIS 7 Cb -0.14 -1.06 0.01 0.00 -0.13 0.00 0.00 32.58 31.26 1uh6 s HIS 7 CO 0.04 -0.82 -0.19 -1.01 -2.47 0.00 0.00 174.74 170.29 1uh6 s HIS 8 N 0.67 2.27 -0.47 3.88 3.76 -1.26 -5.06 115.29 119.09 1uh6 s HIS 8 Ca 0.22 -1.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.16 1uh6 s HIS 8 Cb -0.16 -1.57 0.18 0.00 1.11 0.00 0.00 32.58 32.14 1uh6 s HIS 8 CO -0.05 -0.47 0.58 -1.01 -0.85 0.00 0.00 174.74 172.94 1uh6 s HIS 9 N 0.71 -0.70 -0.51 1.40 3.76 -1.26 -5.09 115.29 113.60 1uh6 s HIS 9 Ca -0.11 -1.08 -0.08 0.00 -0.15 0.00 0.00 55.06 53.64 1uh6 s HIS 9 Cb -0.16 -0.11 0.13 0.00 1.11 0.00 0.00 32.58 33.55 1uh6 s HIS 9 CO 0.02 -1.11 0.37 -1.58 -0.85 0.00 0.00 174.74 171.58 1uh6 s HIS 10 N 0.71 3.47 -0.30 1.40 5.04 -1.26 -4.98 115.29 119.38 1uh6 s HIS 10 Ca 0.29 -2.06 0.05 0.00 -1.54 0.00 0.00 55.06 51.80 1uh6 s HIS 10 Cb -0.00 -3.45 0.18 0.00 0.04 0.00 0.00 32.58 29.35 1uh6 s HIS 10 CO -0.09 -0.97 0.53 -1.01 -2.34 0.00 0.00 174.74 170.85 1uh6 s HIS 11 N 1.07 -1.53 0.02 3.88 3.76 -1.26 -4.98 115.29 116.25 1uh6 s HIS 11 Ca 0.08 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 1uh6 s HIS 11 Cb -0.24 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.59 1uh6 s HIS 11 CO -0.02 -1.06 0.00 -1.13 -0.85 0.00 0.00 174.74 171.68 1uh6 n SER 12 N 5.28 -0.14 -3.15 1.40 3.41 -1.26 -5.11 113.62 114.06 1uh6 n SER 12 Ca 0.04 0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 1uh6 n SER 12 Cb 0.52 0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.78 1uh6 n SER 12 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uh6 s SER 13 N -2.00 -0.12 -0.08 4.04 0.15 -1.26 -5.18 113.70 109.26 1uh6 s SER 13 Ca 0.00 0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.43 1uh6 s SER 13 Cb 0.00 1.09 0.09 0.00 -1.71 0.00 0.00 66.02 65.48 1uh6 s SER 13 CO 0.00 -0.02 1.19 0.61 1.20 0.00 0.00 173.24 176.21 1uh6 n GLY 14 N 5.30 0.14 3.62 9.45 0.00 -1.26 -5.18 105.19 117.26 1uh6 n GLY 14 Ca -0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.87 -2.05 -0.30 4.61 0.00 -1.26 -5.15 121.76 115.74 1uh6 s ALA 15 Ca 0.28 1.75 -0.15 0.00 0.00 0.00 0.00 51.96 53.84 1uh6 s ALA 15 Cb -0.00 -1.26 0.17 0.00 0.00 0.00 0.00 23.12 22.03 1uh6 s ALA 15 CO -0.02 -0.24 1.03 -1.12 0.00 0.00 0.00 175.76 175.41 1uh6 s SER 16 N -0.70 -0.50 -0.26 0.00 0.01 -1.26 -5.14 113.70 105.85 1uh6 s SER 16 Ca 0.04 0.61 -0.03 0.00 1.31 0.00 0.00 55.95 57.88 1uh6 s SER 16 Cb -0.02 1.54 0.14 0.00 0.21 0.00 0.00 66.02 67.89 1uh6 s SER 16 CO -0.06 -0.10 0.45 -0.22 0.41 0.00 0.00 173.24 173.73 1uh6 s LEU 17 N 2.48 -0.86 -0.39 2.44 1.98 -1.26 -5.09 118.68 117.99 1uh6 s LEU 17 Ca -0.01 0.55 0.02 0.00 -2.89 0.00 0.00 54.13 51.80 1uh6 s LEU 17 Cb -0.06 1.47 0.16 0.00 0.66 0.00 0.00 46.19 48.42 1uh6 s LEU 17 CO -0.16 -0.28 0.32 0.68 -1.89 0.00 0.00 176.35 175.02 1uh6 s VAL 18 N 2.65 0.07 0.44 1.68 -7.23 -1.26 -5.13 120.40 111.63 1uh6 s VAL 18 Ca 0.13 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.16 1uh6 s VAL 18 Cb -0.15 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 1uh6 s VAL 18 CO -0.17 -0.97 1.05 -2.16 -0.31 0.00 0.00 175.10 172.54 1uh6 s PRO 19 N 0.73 3.97 0.00 4.82 0.04 -1.26 -5.04 135.00 138.26 1uh6 s PRO 19 Ca 0.24 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1uh6 s PRO 19 Cb -0.10 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1uh6 s PRO 19 CO -0.08 -0.30 0.00 -2.13 0.04 0.00 0.00 177.00 174.53 1uh6 n ARG 20 N -0.54 0.00 0.00 4.56 0.63 -1.26 -5.17 116.66 114.88 1uh6 n ARG 20 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1uh6 n ARG 20 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1uh6 n GLY 21 N -0.16 4.06 3.05 5.14 0.00 -1.26 -5.15 105.19 110.89 1uh6 n GLY 21 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -0.66 -0.02 1.61 1.04 -1.26 -5.17 113.70 109.24 1uh6 s SER 22 Ca 0.00 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 1uh6 s SER 22 Cb 0.00 1.21 0.12 0.00 0.10 0.00 0.00 66.02 67.45 1uh6 s SER 22 CO 0.00 -0.10 1.30 -1.83 0.98 0.00 0.00 173.24 173.58 1uh6 s GLU 23 N 2.58 0.37 0.00 4.02 -1.05 -1.26 -5.18 118.70 118.18 1uh6 s GLU 23 Ca 0.21 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 1uh6 s GLU 23 Cb -0.02 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 1uh6 s GLU 23 CO -0.20 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.25 1uh6 n GLY 24 N -0.55 0.88 1.52 -3.83 0.00 -1.26 -4.96 105.19 97.00 1uh6 n GLY 24 Ca -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1uh6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 n ALA 25 N -3.00 -2.37 -3.41 4.61 0.00 -1.26 -4.77 120.51 110.32 1uh6 n ALA 25 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.61 1uh6 n ALA 25 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.34 1uh6 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uh6 n ALA 26 N 1.23 -2.59 -1.68 0.00 0.00 -1.26 -4.93 120.51 111.28 1uh6 n ALA 26 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1uh6 n ALA 26 Cb 0.00 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.22 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 -3.13 3.61 -0.12 0.00 2.01 -1.26 -4.75 115.64 111.99 1uh6 s THR 27 Ca 0.14 0.83 -0.04 0.00 0.31 0.00 0.00 61.69 62.94 1uh6 s THR 27 Cb -0.04 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1uh6 s THR 27 CO 0.81 -0.38 0.01 -0.32 -0.69 0.00 0.00 174.62 174.05 1uh6 s MET 28 N -3.82 3.38 -0.02 4.92 0.00 -1.26 -0.48 119.30 122.01 1uh6 s MET 28 Ca 0.66 -0.40 -0.04 0.00 0.00 0.00 0.00 55.69 55.91 1uh6 s MET 28 Cb -0.18 -2.93 0.00 0.00 0.00 0.00 0.00 34.83 31.72 1uh6 s MET 28 CO 0.33 0.51 0.09 0.96 0.00 0.00 0.00 175.02 176.92 1uh6 s ILE 29 N -0.35 0.03 -0.20 10.11 -4.36 -0.24 -4.97 121.20 121.22 1uh6 s ILE 29 Ca 0.07 -0.26 -0.15 0.00 -0.26 0.00 0.00 60.65 60.05 1uh6 s ILE 29 Cb -0.12 -0.22 -0.04 0.00 1.25 0.00 0.00 42.46 43.33 1uh6 s ILE 29 CO 0.02 -0.14 0.38 -0.70 0.24 0.00 0.00 174.94 174.74 1uh6 s GLU 30 N -0.43 4.17 0.37 0.37 2.12 -1.26 -3.08 118.70 120.96 1uh6 s GLU 30 Ca -0.05 0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.52 1uh6 s GLU 30 Cb -0.03 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 1uh6 s GLU 30 CO 0.00 -0.03 0.51 0.14 -0.54 0.00 0.00 175.26 175.34 1uh6 s VAL 31 N 1.28 3.64 -0.32 3.70 -7.23 -1.02 0.10 120.40 120.55 1uh6 s VAL 31 Ca 0.18 -1.00 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1uh6 s VAL 31 Cb -0.15 -3.24 0.10 0.00 0.56 0.00 0.00 36.38 33.65 1uh6 s VAL 31 CO 0.08 -0.09 0.11 -0.69 -0.31 0.00 0.00 175.10 174.19 1uh6 s VAL 32 N -2.25 1.03 -0.57 1.32 1.01 0.31 -2.68 120.40 118.57 1uh6 s VAL 32 Ca 0.49 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1uh6 s VAL 32 Cb -0.10 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1uh6 s VAL 32 CO 0.32 -0.69 1.29 0.00 0.00 0.00 0.00 175.10 176.02 1uh6 s ASN 34 N 3.59 6.15 0.30 0.00 0.01 0.15 -2.04 114.94 123.11 1uh6 s ASN 34 Ca 0.47 0.28 0.03 0.00 -0.71 0.00 0.00 52.86 52.93 1uh6 s ASN 34 Cb -0.09 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1uh6 s ASN 34 CO 0.25 -1.69 0.46 1.51 -1.51 0.00 0.00 177.10 176.12 1uh6 s ASP 35 N 4.31 6.24 -0.26 -1.22 -4.77 -1.26 0.51 116.67 120.23 1uh6 s ASP 35 Ca 0.52 0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.97 1uh6 s ASP 35 Cb -0.11 -1.84 0.25 0.00 -1.09 0.00 0.00 42.92 40.14 1uh6 s ASP 35 CO 0.25 -0.23 1.75 0.54 0.70 0.00 0.00 175.17 178.18 1uh6 n ARG 36 N -1.62 1.67 -0.05 2.11 3.00 -1.26 -3.70 116.66 116.81 1uh6 n ARG 36 Ca -0.06 -1.43 -0.01 0.00 -0.01 0.00 0.00 57.85 56.35 1uh6 n ARG 36 Cb 0.57 -1.56 -0.13 0.00 0.00 0.00 0.00 32.46 31.34 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 0.12 0.00 0.00 0.55 4.77 -1.26 -5.02 117.00 116.16 1uh6 n LEU 37 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1uh6 n LEU 37 Cb 0.78 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1uh6 n LEU 37 CO 0.32 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1uh6 n GLY 38 N 1.78 3.60 3.83 -0.72 0.00 -1.24 -5.09 105.19 107.34 1uh6 n GLY 38 Ca -0.17 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 3.06 0.65 1.61 -2.85 -1.26 -5.01 119.74 115.93 1uh6 s LYS 39 Ca 0.00 -0.69 -0.06 0.00 -1.00 0.00 0.00 55.97 54.22 1uh6 s LYS 39 Cb 0.00 -2.79 0.04 0.00 -2.06 0.00 0.00 37.83 33.02 1uh6 s LYS 39 CO 0.00 0.54 0.96 0.15 0.10 0.00 0.00 175.35 177.10 1uh6 s LYS 40 N -2.74 2.55 -0.33 1.78 1.02 -1.26 -4.22 119.74 116.54 1uh6 s LYS 40 Ca 0.31 -0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1uh6 s LYS 40 Cb -0.12 -2.22 0.11 0.00 -0.52 0.00 0.00 37.83 35.08 1uh6 s LYS 40 CO 0.24 -0.97 0.12 0.08 -0.92 0.00 0.00 175.35 173.90 1uh6 s VAL 41 N -3.12 0.92 0.15 3.17 1.01 -0.87 -4.97 120.40 116.70 1uh6 s VAL 41 Ca 0.57 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1uh6 s VAL 41 Cb -0.11 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 1uh6 s VAL 41 CO 0.45 -0.72 0.94 -0.13 0.00 0.00 0.00 175.10 175.64 1uh6 s ARG 42 N 1.42 4.74 0.09 2.72 0.52 -1.26 -2.00 118.95 125.17 1uh6 s ARG 42 Ca 0.11 1.44 0.05 0.00 -0.52 0.00 0.00 55.73 56.80 1uh6 s ARG 42 Cb -0.18 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 1uh6 s ARG 42 CO -0.21 0.33 -0.12 0.08 0.02 0.00 0.00 175.30 175.40 1uh6 s VAL 43 N -0.42 1.06 -0.19 3.52 1.01 -1.09 -4.98 120.40 119.30 1uh6 s VAL 43 Ca 0.44 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1uh6 s VAL 43 Cb -0.24 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1uh6 s VAL 43 CO 0.30 -0.38 0.28 -0.54 0.00 0.00 0.00 175.10 174.76 1uh6 s LYS 44 N -2.24 4.20 0.29 2.72 1.02 -1.26 -2.43 119.74 122.04 1uh6 s LYS 44 Ca 0.02 0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.91 1uh6 s LYS 44 Cb -0.07 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1uh6 s LYS 44 CO 0.02 0.15 0.54 0.00 -0.92 0.00 0.00 175.35 175.13 1uh6 s ASN 46 N -3.07 2.93 0.48 0.00 0.01 -1.26 -1.08 114.94 112.95 1uh6 s ASN 46 Ca 0.22 -1.14 0.25 0.00 -0.71 0.00 0.00 52.86 51.48 1uh6 s ASN 46 Cb -0.02 -0.20 1.19 0.00 0.41 0.00 0.00 41.25 42.64 1uh6 s ASN 46 CO 0.12 -0.25 1.96 0.71 -1.51 0.00 0.00 177.10 178.14 1uh6 h THR 47 N 2.31 0.65 0.00 1.60 1.35 -1.08 -1.69 112.91 116.05 1uh6 h THR 47 Ca -0.40 -0.82 -0.07 0.00 -0.55 0.00 0.00 66.41 64.57 1uh6 h THR 47 Cb 1.24 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1uh6 h THR 47 CO 0.66 0.18 -0.35 -0.78 -0.25 0.00 0.00 175.52 174.97 1uh6 h ASP 48 N 0.00 0.00 -3.46 5.36 3.58 -1.89 -3.29 116.42 116.73 1uh6 h ASP 48 Ca -0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1uh6 h ASP 48 Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1uh6 h ASP 48 CO 0.02 0.35 0.23 -1.81 -2.88 0.00 0.00 179.24 175.16 1uh6 s ASP 49 N -6.59 7.29 0.66 2.28 1.01 -0.64 -5.02 116.67 115.67 1uh6 s ASP 49 Ca -0.01 1.55 -0.08 0.00 0.71 0.00 0.00 52.55 54.71 1uh6 s ASP 49 Cb 0.13 -2.51 0.03 0.00 1.01 0.00 0.00 42.92 41.57 1uh6 s ASP 49 CO 0.69 -0.05 1.00 0.42 0.21 0.00 0.00 175.17 177.44 1uh6 s THR 50 N 0.15 3.22 0.23 -1.27 -4.23 -1.26 -3.94 115.64 108.54 1uh6 s THR 50 Ca 0.42 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 1uh6 s THR 50 Cb -0.21 -3.34 0.21 0.00 1.34 0.00 0.00 72.50 70.50 1uh6 s THR 50 CO 0.25 -0.39 1.67 0.40 -0.54 0.00 0.00 174.62 176.01 1uh6 h ILE 51 N -0.46 0.50 -0.75 2.99 1.08 -1.46 0.23 117.51 119.65 1uh6 h ILE 51 Ca -0.45 -0.06 0.16 0.00 -0.39 0.00 0.00 64.86 64.12 1uh6 h ILE 51 Cb 1.27 0.31 -0.11 0.00 -3.07 0.00 0.00 36.82 35.22 1uh6 h ILE 51 CO 0.62 0.03 0.22 1.23 -0.69 0.00 0.00 178.15 179.56 1uh6 h GLY 52 N 0.18 1.08 1.29 5.37 0.00 -1.80 1.23 103.07 110.42 1uh6 h GLY 52 Ca 0.36 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.48 1uh6 h GLY 52 CO -0.52 -0.18 -0.36 -0.55 0.00 0.00 0.00 176.54 174.93 1uh6 h ASP 53 N 0.32 0.83 -0.26 0.19 5.19 -1.00 -2.15 116.42 119.54 1uh6 h ASP 53 Ca 0.42 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1uh6 h ASP 53 Cb 0.71 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1uh6 h ASP 53 CO -0.49 1.10 0.07 0.25 -3.12 0.00 0.00 179.24 177.06 1uh6 h LEU 54 N 0.66 0.38 -0.94 1.55 5.85 0.21 -2.39 115.31 120.63 1uh6 h LEU 54 Ca 0.06 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1uh6 h LEU 54 Cb 0.91 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1uh6 h LEU 54 CO 0.08 0.50 0.58 0.11 -0.34 0.00 0.00 178.44 179.37 1uh6 h LYS 55 N 0.24 0.96 0.28 1.25 1.57 0.15 -0.76 116.57 120.27 1uh6 h LYS 55 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uh6 h LYS 55 Cb 0.26 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1uh6 h LYS 55 CO -0.00 0.64 -0.37 0.87 -0.57 0.00 0.00 179.45 180.01 1uh6 h LYS 56 N 0.99 -0.69 -0.20 3.15 1.57 -0.96 0.13 116.57 120.57 1uh6 h LYS 56 Ca 0.44 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.32 1uh6 h LYS 56 Cb 0.33 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 1uh6 h LYS 56 CO -0.22 -0.46 -0.32 -0.07 -0.57 0.00 0.00 179.45 177.81 1uh6 h LEU 57 N -0.71 -1.00 -0.26 2.94 3.38 -0.88 0.46 115.31 119.24 1uh6 h LEU 57 Ca -0.01 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1uh6 h LEU 57 Cb 0.67 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1uh6 h LEU 57 CO -0.12 -0.34 -0.46 0.40 0.09 0.00 0.00 178.44 178.01 1uh6 h ILE 58 N -0.35 0.00 -0.63 1.22 2.04 -0.74 1.64 117.51 120.68 1uh6 h ILE 58 Ca 0.11 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.16 1uh6 h ILE 58 Cb 0.54 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1uh6 h ILE 58 CO -0.39 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.23 1uh6 h ALA 59 N -0.35 2.57 -0.06 1.87 0.00 -0.09 1.48 119.26 124.68 1uh6 h ALA 59 Ca 0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1uh6 h ALA 59 Cb 0.52 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1uh6 h ALA 59 CO -0.45 -0.80 -0.87 0.00 0.00 0.00 0.00 179.25 177.13 1uh6 h ALA 60 N 1.65 0.35 0.00 0.00 0.00 0.54 1.39 119.26 123.19 1uh6 h ALA 60 Ca 0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1uh6 h ALA 60 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1uh6 h ALA 60 CO -0.00 0.74 -0.09 1.96 0.00 0.00 0.00 179.25 181.86 1uh6 h GLN 61 N 0.37 0.05 -0.01 0.00 1.08 0.73 -3.32 115.11 114.01 1uh6 h GLN 61 Ca -0.07 -0.06 -0.19 0.00 -1.45 0.00 0.00 58.65 56.87 1uh6 h GLN 61 Cb 1.49 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.93 1uh6 h GLN 61 CO 0.16 0.87 -0.84 1.79 -0.95 0.00 0.00 178.83 179.86 1uh6 h THR 62 N -0.74 1.46 0.00 -0.54 1.35 0.16 -3.48 112.91 111.12 1uh6 h THR 62 Ca -0.01 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1uh6 h THR 62 Cb 0.91 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1uh6 h THR 62 CO 0.02 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1uh6 n GLY 63 N 0.79 2.60 0.51 5.82 0.00 0.47 -5.03 105.19 110.34 1uh6 n GLY 63 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.77 0.00 -4.11 2.61 -2.24 -0.59 -4.79 114.28 104.40 1uh6 n THR 64 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1uh6 n THR 64 Cb 0.00 -0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.60 3.46 0.65 -0.78 0.52 -1.26 -4.39 118.95 114.55 1uh6 s ARG 65 Ca 0.08 -0.31 0.36 0.00 -0.52 0.00 0.00 55.73 55.35 1uh6 s ARG 65 Cb -0.01 -3.05 2.01 0.00 0.52 0.00 0.00 34.95 34.41 1uh6 s ARG 65 CO 0.07 0.58 2.17 0.11 0.02 0.00 0.00 175.30 178.24 1uh6 h TRP 66 N 5.64 0.00 -0.49 -0.53 5.08 -1.86 1.33 115.95 125.13 1uh6 h TRP 66 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 1uh6 h TRP 66 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1uh6 h TRP 66 CO 0.64 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 178.07 1uh6 n ASN 67 N -3.17 4.78 -2.34 0.11 6.94 -1.26 -3.94 115.26 116.39 1uh6 n ASN 67 Ca -0.02 -2.71 0.01 0.00 -0.02 0.00 0.00 54.58 51.85 1uh6 n ASN 67 Cb 0.22 -0.64 0.04 0.00 -2.36 0.00 0.00 39.78 37.05 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 0.58 1.09 -4.18 -3.83 5.02 0.46 -4.79 118.16 112.50 1uh6 n LYS 68 Ca 0.23 -2.85 -0.20 0.00 -2.02 0.00 0.00 58.31 53.46 1uh6 n LYS 68 Cb 0.99 -0.94 -0.16 0.00 -0.02 0.00 0.00 35.03 34.90 1uh6 n LYS 68 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1uh6 s ILE 69 N -2.28 0.53 -0.14 -0.18 1.01 -1.20 -3.21 121.20 115.74 1uh6 s ILE 69 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1uh6 s ILE 69 Cb 0.34 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 42.28 1uh6 s ILE 69 CO -0.09 0.22 -0.12 -0.69 0.00 0.00 0.00 174.94 174.27 1uh6 s VAL 70 N 0.87 1.39 -0.35 2.92 1.01 0.52 -4.90 120.40 121.86 1uh6 s VAL 70 Ca -0.12 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1uh6 s VAL 70 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1uh6 s VAL 70 CO 0.00 0.42 0.33 -0.76 0.00 0.00 0.00 175.10 175.09 1uh6 s LEU 71 N 1.56 4.52 0.09 3.92 2.01 -1.26 -0.64 118.68 128.88 1uh6 s LEU 71 Ca 0.05 -0.34 0.09 0.00 0.01 0.00 0.00 54.13 53.93 1uh6 s LEU 71 Cb -0.13 -2.27 -0.03 0.00 0.01 0.00 0.00 46.19 43.77 1uh6 s LEU 71 CO -0.10 -0.32 -0.23 -0.54 1.01 0.00 0.00 176.35 176.17 1uh6 s LYS 72 N 1.92 1.31 -0.33 1.70 1.02 0.25 -2.48 119.74 123.11 1uh6 s LYS 72 Ca 0.10 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 54.96 1uh6 s LYS 72 Cb -0.17 -1.58 0.10 0.00 -0.52 0.00 0.00 37.83 35.66 1uh6 s LYS 72 CO 0.11 0.38 0.07 0.21 -0.92 0.00 0.00 175.35 175.21 1uh6 s LYS 73 N -1.72 1.22 0.00 1.68 2.47 -0.66 0.18 119.74 122.91 1uh6 s LYS 73 Ca 0.09 -1.61 0.00 0.00 -1.56 0.00 0.00 55.97 52.89 1uh6 s LYS 73 Cb -0.10 -2.77 0.00 0.00 -1.46 0.00 0.00 37.83 33.50 1uh6 s LYS 73 CO 0.04 -0.96 0.00 0.91 0.16 0.00 0.00 175.35 175.50 1uh6 n TRP 74 N 4.43 0.00 -2.54 4.03 7.02 -1.26 -0.83 117.44 128.30 1uh6 n TRP 74 Ca 0.02 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.51 1uh6 n TRP 74 Cb 0.42 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1uh6 n TRP 74 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 1uh6 n TYR 75 N 0.00 0.18 -4.36 -5.99 4.11 -1.26 -5.10 117.16 104.74 1uh6 n TYR 75 Ca 0.00 -1.08 -0.24 0.00 -0.00 0.00 0.00 57.90 56.58 1uh6 n TYR 75 Cb 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 39.34 39.30 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1uh6 s THR 76 N -1.08 2.02 -0.09 -3.48 2.01 -0.01 -5.14 115.64 109.87 1uh6 s THR 76 Ca 0.25 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.37 1uh6 s THR 76 Cb 0.32 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1uh6 s THR 76 CO -0.10 -0.18 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.95 1uh6 s ILE 77 N -1.70 3.62 -0.31 1.82 1.01 -1.26 -1.65 121.20 122.73 1uh6 s ILE 77 Ca 0.16 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1uh6 s ILE 77 Cb -0.07 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.91 1uh6 s ILE 77 CO 0.07 0.57 0.12 -0.36 0.00 0.00 0.00 174.94 175.35 1uh6 s PHE 78 N -0.49 3.18 1.27 3.97 0.40 -1.04 -5.00 117.98 120.27 1uh6 s PHE 78 Ca 0.07 -0.87 -0.21 0.00 -0.60 0.00 0.00 56.93 55.33 1uh6 s PHE 78 Cb -0.12 -2.32 0.31 0.00 0.51 0.00 0.00 43.02 41.41 1uh6 s PHE 78 CO 0.02 -0.56 1.07 0.15 0.70 0.00 0.00 175.22 176.60 1uh6 s LYS 79 N 1.54 -1.74 -0.15 0.44 -0.14 -1.26 -4.72 119.74 113.70 1uh6 s LYS 79 Ca 0.03 -0.06 0.14 0.00 -1.36 0.00 0.00 55.97 54.72 1uh6 s LYS 79 Cb -0.18 -1.53 -0.24 0.00 -1.68 0.00 0.00 37.83 34.20 1uh6 s LYS 79 CO 0.04 -4.06 0.24 -0.40 -0.76 0.00 0.00 175.35 170.42 1uh6 n ASP 80 N -5.01 0.49 0.00 2.83 5.75 -1.26 -3.96 116.55 115.39 1uh6 n ASP 80 Ca 0.14 0.12 0.13 0.00 -0.01 0.00 0.00 54.79 55.17 1uh6 n ASP 80 Cb 0.60 0.50 0.72 0.00 -1.03 0.00 0.00 41.12 41.91 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 -2.91 0.00 -3.93 2.11 1.44 -1.26 -3.34 115.22 107.33 1uh6 n HIS 81 Ca -0.29 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.07 1uh6 n HIS 81 Cb 1.11 -0.13 -0.13 0.00 0.12 0.00 0.00 29.99 30.97 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 -2.25 3.93 0.21 0.61 1.01 -1.25 -4.96 120.40 117.69 1uh6 s VAL 82 Ca 0.33 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1uh6 s VAL 82 Cb 0.18 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1uh6 s VAL 82 CO 0.34 0.40 0.30 -1.54 0.00 0.00 0.00 175.10 174.60 1uh6 n SER 83 N 4.59 0.53 0.04 3.32 3.41 -1.26 -2.21 113.62 122.03 1uh6 n SER 83 Ca -0.17 -1.42 -0.08 0.00 -0.26 0.00 0.00 58.87 56.95 1uh6 n SER 83 Cb 0.51 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.36 1uh6 n SER 83 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1uh6 h LEU 84 N 0.00 0.48 -1.77 1.04 -0.00 -1.70 -2.67 115.31 110.69 1uh6 h LEU 84 Ca -0.10 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.88 57.48 1uh6 h LEU 84 Cb 0.39 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1uh6 h LEU 84 CO 0.12 0.96 -0.16 1.23 -0.00 0.00 0.00 178.44 180.59 1uh6 h GLY 85 N 1.22 0.00 0.25 0.83 0.00 -1.88 0.41 103.07 103.90 1uh6 h GLY 85 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1uh6 h GLY 85 CO 0.10 0.00 -0.05 -0.55 0.00 0.00 0.00 176.54 176.04 1uh6 h ASP 86 N 0.00 -0.13 0.11 0.19 3.32 -1.81 -3.17 116.42 114.94 1uh6 h ASP 86 Ca -0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1uh6 h ASP 86 Cb 0.31 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1uh6 h ASP 86 CO 0.02 0.50 0.00 -1.22 -1.72 0.00 0.00 179.24 176.82 1uh6 n TYR 87 N -4.85 0.00 -3.66 4.55 4.01 -1.03 -4.90 117.16 111.28 1uh6 n TYR 87 Ca -0.07 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.41 1uh6 n TYR 87 Cb 0.27 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.08 -1.21 -2.43 -0.72 1.02 0.13 -4.96 120.64 111.40 1uh6 n GLU 88 Ca 0.15 0.69 -0.25 0.00 -0.02 0.00 0.00 57.16 57.73 1uh6 n GLU 88 Cb 0.10 -3.58 0.04 0.00 -0.02 0.00 0.00 31.44 27.98 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 -3.23 3.06 0.21 -3.67 1.01 -0.66 -5.03 121.20 112.89 1uh6 s ILE 89 Ca 0.24 -0.25 0.11 0.00 0.00 0.00 0.00 60.65 60.74 1uh6 s ILE 89 Cb -0.10 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1uh6 s ILE 89 CO 0.87 -0.22 -0.22 -1.00 0.00 0.00 0.00 174.94 174.38 1uh6 s HIS 90 N -2.99 2.18 0.33 3.97 3.76 -1.26 -4.95 115.29 116.33 1uh6 s HIS 90 Ca 0.56 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 1uh6 s HIS 90 Cb -0.11 -1.04 -0.12 0.00 1.11 0.00 0.00 32.58 32.42 1uh6 s HIS 90 CO 0.43 0.52 1.30 -0.40 -0.85 0.00 0.00 174.74 175.74 1uh6 n ASP 91 N 0.01 2.75 -1.87 1.40 5.75 -1.26 -2.55 116.55 120.78 1uh6 n ASP 91 Ca -0.10 1.20 -0.09 0.00 -0.01 0.00 0.00 54.79 55.79 1uh6 n ASP 91 Cb 0.57 -1.48 0.03 0.00 -1.03 0.00 0.00 41.12 39.22 1uh6 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uh6 n GLY 92 N 0.93 0.25 3.84 6.12 0.00 0.28 -4.91 105.19 111.70 1uh6 n GLY 92 Ca 0.05 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.18 4.10 -0.24 1.61 1.75 -1.06 -4.86 119.30 115.42 1uh6 s MET 93 Ca 0.15 0.77 -0.06 0.00 -1.25 0.00 0.00 55.69 55.30 1uh6 s MET 93 Cb -0.07 -2.53 -0.02 0.00 2.84 0.00 0.00 34.83 35.05 1uh6 s MET 93 CO 0.30 0.20 0.04 -0.80 -0.65 0.00 0.00 175.02 174.11 1uh6 s ASN 94 N -2.09 4.89 -0.05 1.11 0.01 -1.26 0.12 114.94 117.66 1uh6 s ASN 94 Ca 0.52 -0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.40 1uh6 s ASN 94 Cb -0.12 -1.87 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1uh6 s ASN 94 CO 0.18 -0.04 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.83 1uh6 s LEU 95 N 1.57 1.78 -0.17 0.60 1.43 -0.01 -4.92 118.68 118.95 1uh6 s LEU 95 Ca 0.06 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 1uh6 s LEU 95 Cb -0.15 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1uh6 s LEU 95 CO 0.02 0.08 1.76 -1.61 0.23 0.00 0.00 176.35 176.83 1uh6 s GLU 96 N 0.32 3.78 -0.16 1.70 0.41 0.49 0.33 118.70 125.57 1uh6 s GLU 96 Ca -0.08 1.90 -0.18 0.00 -0.41 0.00 0.00 54.97 56.21 1uh6 s GLU 96 Cb -0.12 -4.10 -0.04 0.00 -1.78 0.00 0.00 34.13 28.08 1uh6 s GLU 96 CO 0.02 -1.33 0.47 -1.17 -0.49 0.00 0.00 175.26 172.77 1uh6 s LEU 97 N 5.46 4.22 0.21 1.80 2.96 0.18 -0.58 118.68 132.93 1uh6 s LEU 97 Ca 0.79 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1uh6 s LEU 97 Cb -0.29 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1uh6 s LEU 97 CO 0.32 -0.06 0.03 -0.31 -1.32 0.00 0.00 176.35 175.00 1uh6 s TYR 98 N 1.04 1.41 -0.03 5.38 2.02 0.19 -4.43 117.35 122.92 1uh6 s TYR 98 Ca 0.24 -1.03 0.06 0.00 -0.37 0.00 0.00 57.07 55.97 1uh6 s TYR 98 Cb -0.15 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 1uh6 s TYR 98 CO 0.09 -0.19 -0.21 0.71 -1.57 0.00 0.00 175.55 174.38 1uh6 s TYR 99 N -3.61 1.99 -2.00 2.71 2.02 -1.26 -0.35 117.35 116.85 1uh6 s TYR 99 Ca 0.29 -0.48 0.21 0.00 -0.37 0.00 0.00 57.07 56.73 1uh6 s TYR 99 Cb 0.06 -1.30 1.27 0.00 -0.40 0.00 0.00 41.96 41.59 1uh6 s TYR 99 CO 0.08 -0.11 1.65 1.04 -1.57 0.00 0.00 175.55 176.64