#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s HIS 3 N 0.00 3.12 0.00 0.00 0.00 -1.26 -5.04 115.29 112.12 3huz s HIS 3 Ca 0.00 0.91 0.00 0.00 -3.00 0.00 0.00 55.06 52.97 3huz s HIS 3 Cb 0.00 -3.57 0.00 0.00 -4.00 0.00 0.00 32.58 25.01 3huz s HIS 3 CO 0.00 -0.75 0.00 0.36 -1.00 0.00 0.00 174.74 173.35 3huz n LYS 4 N 6.68 1.27 -1.17 -0.38 2.85 -1.26 -5.14 118.16 121.02 3huz n LYS 4 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 3huz n LYS 4 Cb 0.48 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 3huz n LYS 4 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3huz n LYS 5 N -0.67 1.99 -3.42 -1.58 4.76 -1.26 -5.10 118.16 112.88 3huz n LYS 5 Ca 0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 3huz n LYS 5 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 3huz n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3huz s GLY 6 N -1.25 2.04 -0.70 0.72 0.00 -1.26 -5.02 107.32 101.85 3huz s GLY 6 Ca 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 44.72 42.34 3huz s GLY 6 CO 0.00 1.08 0.61 0.48 0.00 0.00 0.00 173.10 175.27 3huz s LEU 7 N 1.57 6.24 0.00 0.66 2.34 -1.26 -5.07 118.68 123.15 3huz s LEU 7 Ca 0.04 -2.51 0.00 0.00 0.06 0.00 0.00 54.13 51.72 3huz s LEU 7 Cb -0.26 -2.11 0.00 0.00 -0.56 0.00 0.00 46.19 43.26 3huz s LEU 7 CO 0.04 -0.58 0.00 0.61 -1.06 0.00 0.00 176.35 175.36 3huz n GLY 8 N 4.16 -1.67 3.44 -3.48 0.00 -1.26 -5.05 105.19 101.33 3huz n GLY 8 Ca 0.06 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3huz n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3huz s SER 9 N -1.88 3.42 0.39 1.61 0.15 -1.26 -5.16 113.70 110.98 3huz s SER 9 Ca 0.00 -1.00 0.08 0.00 0.70 0.00 0.00 55.95 55.72 3huz s SER 9 Cb 0.00 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 3huz s SER 9 CO 0.00 0.02 0.49 0.42 1.20 0.00 0.00 173.24 175.37 3huz s THR 10 N -2.45 3.21 -0.16 6.45 -4.23 -1.26 -5.02 115.64 112.19 3huz s THR 10 Ca 0.27 -1.09 0.12 0.00 -1.18 0.00 0.00 61.69 59.81 3huz s THR 10 Cb -0.05 -3.10 0.23 0.00 1.34 0.00 0.00 72.50 70.92 3huz s THR 10 CO 0.13 -0.05 1.15 0.54 -0.54 0.00 0.00 174.62 175.85 3huz n ARG 11 N -1.71 2.14 0.00 3.99 1.74 -1.26 -5.02 116.66 116.54 3huz n ARG 11 Ca 0.05 -2.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3huz n ARG 11 Cb 0.59 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3huz n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3huz n ASN 12 N -0.88 0.00 -0.06 0.55 5.03 -1.26 -4.92 115.26 113.72 3huz n ASN 12 Ca 0.11 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.56 3huz n ASN 12 Cb 0.53 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.29 3huz n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3huz n GLY 13 N 5.00 0.47 3.63 7.41 0.00 -1.26 -5.04 105.19 115.40 3huz n GLY 13 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3huz n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huz s ARG 14 N -1.26 2.73 0.00 1.61 0.52 -1.26 -5.09 118.95 116.20 3huz s ARG 14 Ca 0.00 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3huz s ARG 14 Cb 0.00 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3huz s ARG 14 CO 0.00 0.64 0.00 -3.47 0.02 0.00 0.00 175.30 172.49 3huz n ASP 15 N 1.81 0.00 -3.77 0.23 2.03 -1.26 -5.17 116.55 110.42 3huz n ASP 15 Ca -0.16 -0.48 -0.13 0.00 0.52 0.00 0.00 54.79 54.53 3huz n ASP 15 Cb 0.53 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.79 3huz n ASP 15 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3huz s SER 16 N 0.33 -0.14 0.73 1.67 0.01 -1.26 -5.14 113.70 109.91 3huz s SER 16 Ca 0.00 0.32 -0.16 0.00 1.31 0.00 0.00 55.95 57.42 3huz s SER 16 Cb 0.00 0.25 -0.14 0.00 0.21 0.00 0.00 66.02 66.34 3huz s SER 16 CO 0.00 -0.12 -0.50 0.00 0.41 0.00 0.00 173.24 173.03 3huz n GLN 17 N 3.81 0.00 -2.44 12.44 10.64 -1.26 -4.87 117.38 135.70 3huz n GLN 17 Ca -0.22 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.56 3huz n GLN 17 Cb 0.54 -0.91 -0.04 0.00 -0.86 0.00 0.00 30.24 28.98 3huz n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3huz s ALA 18 N -1.81 3.34 -0.14 2.61 0.00 -1.26 -4.98 121.76 119.53 3huz s ALA 18 Ca 0.42 0.90 0.20 0.00 0.00 0.00 0.00 51.96 53.48 3huz s ALA 18 Cb -0.27 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.34 3huz s ALA 18 CO 0.69 -0.24 0.69 1.63 0.00 0.00 0.00 175.76 178.53 3huz n LYS 19 N 0.87 0.64 -3.18 0.00 4.01 -1.26 -5.01 118.16 114.23 3huz n LYS 19 Ca 0.00 0.05 -0.14 0.00 -0.51 0.00 0.00 58.31 57.71 3huz n LYS 19 Cb 0.45 -1.70 0.07 0.00 -0.51 0.00 0.00 35.03 33.35 3huz n LYS 19 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3huz n ARG 20 N -2.64 -3.74 -0.06 1.97 1.74 -1.26 -5.04 116.66 107.64 3huz n ARG 20 Ca -0.09 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3huz n ARG 20 Cb 0.73 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.68 3huz n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3huz n LEU 21 N -3.40 0.00 0.00 0.55 4.77 -1.26 -4.98 117.00 112.68 3huz n LEU 21 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3huz n LEU 21 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3huz n LEU 21 CO 0.54 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3huz n GLY 22 N 5.00 -2.70 3.67 -0.72 0.00 -0.38 -4.90 105.19 105.16 3huz n GLY 22 Ca 0.00 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 3huz n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huz s VAL 23 N -0.49 4.57 -2.83 1.61 1.01 -1.26 -1.71 120.40 121.29 3huz s VAL 23 Ca 0.00 1.89 0.25 0.00 0.00 0.00 0.00 61.98 64.11 3huz s VAL 23 Cb 0.00 -4.22 0.30 0.00 0.00 0.00 0.00 36.38 32.46 3huz s VAL 23 CO 0.00 -0.13 1.39 0.29 0.00 0.00 0.00 175.10 176.65 3huz n LYS 24 N 6.13 2.16 -3.64 2.72 4.76 -0.10 -4.81 118.16 125.38 3huz n LYS 24 Ca 0.12 -1.69 -0.10 0.00 -2.87 0.00 0.00 58.31 53.76 3huz n LYS 24 Cb 0.46 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 3huz n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3huz s ARG 25 N -1.97 0.26 0.34 1.97 1.81 -1.05 -4.93 118.95 115.37 3huz s ARG 25 Ca 0.31 0.89 0.05 0.00 -1.72 0.00 0.00 55.73 55.26 3huz s ARG 25 Cb 0.20 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.82 3huz s ARG 25 CO 0.31 -0.29 0.49 0.71 -0.68 0.00 0.00 175.30 175.83 3huz s TYR 26 N 2.54 3.24 0.36 -0.53 1.51 -1.26 -4.88 117.35 118.32 3huz s TYR 26 Ca 0.00 -0.05 -0.24 0.00 -1.01 0.00 0.00 57.07 55.77 3huz s TYR 26 Cb -0.12 -1.95 -0.14 0.00 -0.11 0.00 0.00 41.96 39.64 3huz s TYR 26 CO -0.11 0.04 0.63 -1.91 -1.11 0.00 0.00 175.55 173.08 3huz n GLU 27 N -1.68 0.64 -2.14 -0.62 2.13 -1.26 -2.19 120.64 115.52 3huz n GLU 27 Ca -0.02 0.23 -0.15 0.00 0.66 0.00 0.00 57.16 57.88 3huz n GLU 27 Cb 0.58 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.78 3huz n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3huz n GLY 28 N 1.71 0.05 3.22 8.31 0.00 -0.85 -4.97 105.19 112.66 3huz n GLY 28 Ca 0.12 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3huz n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3huz s GLN 29 N -4.49 2.63 0.27 1.61 0.74 -0.93 -4.91 119.66 114.58 3huz s GLN 29 Ca 0.00 -1.14 -0.31 0.00 0.05 0.00 0.00 55.36 53.96 3huz s GLN 29 Cb 0.00 -3.22 -0.12 0.00 1.10 0.00 0.00 33.01 30.77 3huz s GLN 29 CO 0.00 -0.56 1.54 1.33 -0.55 0.00 0.00 175.29 177.04 3huz n VAL 30 N 4.70 0.94 -4.16 1.34 0.24 -1.26 -3.14 118.33 116.99 3huz n VAL 30 Ca -0.14 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3huz n VAL 30 Cb 0.45 -1.79 -0.10 0.00 -1.47 0.00 0.00 33.84 30.93 3huz n VAL 30 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3huz s VAL 31 N 0.04 0.33 0.65 3.34 -7.23 -0.44 -4.98 120.40 112.12 3huz s VAL 31 Ca 0.66 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 3huz s VAL 31 Cb -0.55 -1.90 0.11 0.00 0.56 0.00 0.00 36.38 34.59 3huz s VAL 31 CO 0.48 -0.64 0.90 -0.13 -0.31 0.00 0.00 175.10 175.41 3huz s ARG 32 N -3.96 1.96 -0.25 4.82 0.52 -1.26 -2.79 118.95 117.98 3huz s ARG 32 Ca 0.19 -1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 3huz s ARG 32 Cb 0.07 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 33.08 3huz s ARG 32 CO -0.01 -1.18 1.22 0.00 0.02 0.00 0.00 175.30 175.35 3huz s ALA 33 N -2.93 3.52 0.00 2.13 0.00 -1.26 -3.30 121.76 119.91 3huz s ALA 33 Ca 0.64 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3huz s ALA 33 Cb -0.06 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3huz s ALA 33 CO 0.42 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3huz n GLY 34 N 3.91 3.34 3.14 0.00 0.00 0.37 -4.96 105.19 110.99 3huz n GLY 34 Ca 0.14 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 3huz n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3huz n ASN 35 N 0.00 -1.58 -4.62 1.61 4.13 -1.21 -4.31 115.26 109.27 3huz n ASN 35 Ca 0.00 0.97 -0.38 0.00 1.68 0.00 0.00 54.58 56.85 3huz n ASN 35 Cb 0.00 -0.87 -0.09 0.00 -1.54 0.00 0.00 39.78 37.28 3huz n ASN 35 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3huz s ILE 36 N -1.11 5.23 0.10 2.41 2.07 -1.26 -0.65 121.20 127.99 3huz s ILE 36 Ca 0.58 0.47 0.01 0.00 -1.41 0.00 0.00 60.65 60.31 3huz s ILE 36 Cb -0.79 -3.65 -0.25 0.00 0.13 0.00 0.00 42.46 37.91 3huz s ILE 36 CO 0.54 0.22 1.21 -0.07 -1.91 0.00 0.00 174.94 174.93 3huz h LEU 37 N 8.21 0.22 -7.10 8.50 3.38 -1.56 -3.40 115.31 123.56 3huz h LEU 37 Ca -0.34 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 3huz h LEU 37 Cb 1.17 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 3huz h LEU 37 CO 0.64 1.18 0.03 -0.69 0.09 0.00 0.00 178.44 179.70 3huz s VAL 38 N -2.68 0.00 -0.06 1.22 1.01 -1.21 -0.93 120.40 117.76 3huz s VAL 38 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.00 3huz s VAL 38 Cb 0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3huz s VAL 38 CO 0.85 -0.01 -0.22 -0.13 0.00 0.00 0.00 175.10 175.59 3huz s ARG 39 N 0.04 2.54 0.14 2.72 1.81 -0.69 -0.73 118.95 124.77 3huz s ARG 39 Ca -0.02 -0.85 -0.24 0.00 -1.72 0.00 0.00 55.73 52.90 3huz s ARG 39 Cb -0.04 -2.23 0.07 0.00 -0.45 0.00 0.00 34.95 32.31 3huz s ARG 39 CO 0.02 0.45 0.65 1.14 -0.68 0.00 0.00 175.30 176.88 3huz s GLN 40 N -0.31 1.23 0.00 3.54 -2.07 -1.26 -1.24 119.66 119.54 3huz s GLN 40 Ca 0.01 -0.47 0.00 0.00 -1.82 0.00 0.00 55.36 53.09 3huz s GLN 40 Cb -0.13 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 3huz s GLN 40 CO 0.02 -0.54 0.00 0.54 -1.32 0.00 0.00 175.29 173.99 3huz n ARG 41 N -0.36 0.00 0.00 9.60 3.00 -1.26 -4.71 116.66 122.92 3huz n ARG 41 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 3huz n ARG 41 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 33.01 3huz n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3huz n GLY 42 N 0.66 -1.81 2.29 -0.13 0.00 -1.26 -4.72 105.19 100.22 3huz n GLY 42 Ca 0.00 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 3huz n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3huz n THR 43 N 0.00 3.12 -0.34 2.61 5.66 -1.26 -4.77 114.28 119.31 3huz n THR 43 Ca 0.00 -3.72 0.35 0.00 -3.05 0.00 0.00 64.05 57.63 3huz n THR 43 Cb 0.00 -1.17 0.60 0.00 -1.55 0.00 0.00 70.33 68.21 3huz n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3huz h ARG 44 N 2.22 0.00 -4.00 1.09 3.08 -1.94 -3.15 114.38 111.67 3huz h ARG 44 Ca 0.49 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.96 3huz h ARG 44 Cb 1.00 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.66 3huz h ARG 44 CO 1.21 0.00 -0.77 -0.06 -1.07 0.00 0.00 179.97 179.28 3huz s PHE 45 N -4.61 1.95 0.44 3.04 0.40 -1.26 -4.57 117.98 113.36 3huz s PHE 45 Ca -0.04 -1.54 -0.22 0.00 -0.60 0.00 0.00 56.93 54.53 3huz s PHE 45 Cb 0.18 -1.50 -0.09 0.00 0.51 0.00 0.00 43.02 42.13 3huz s PHE 45 CO 0.62 -0.75 1.04 0.15 0.70 0.00 0.00 175.22 176.98 3huz s LYS 46 N 1.54 4.01 0.32 0.44 1.02 0.14 -4.94 119.74 122.27 3huz s LYS 46 Ca -0.01 1.42 -0.29 0.00 0.02 0.00 0.00 55.97 57.11 3huz s LYS 46 Cb -0.18 -2.32 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3huz s LYS 46 CO -0.10 -0.26 1.24 -1.25 -0.92 0.00 0.00 175.35 174.06 3huz s PRO 47 N -2.87 4.44 0.00 -1.68 0.04 -1.26 -3.04 135.00 130.63 3huz s PRO 47 Ca 0.62 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3huz s PRO 47 Cb -0.19 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3huz s PRO 47 CO 0.23 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3huz n GLY 48 N 0.92 5.23 3.67 0.56 0.00 -0.89 -4.80 105.19 109.87 3huz n GLY 48 Ca -0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3huz n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 49 N 2.99 4.20 -1.30 1.61 1.02 -1.26 -2.49 119.74 124.51 3huz s LYS 49 Ca 0.00 2.18 -0.08 0.00 0.02 0.00 0.00 55.97 58.09 3huz s LYS 49 Cb 0.00 -3.80 0.01 0.00 -0.52 0.00 0.00 37.83 33.52 3huz s LYS 49 CO 0.00 -0.76 1.04 0.09 -0.92 0.00 0.00 175.35 174.79 3huz n ASN 50 N 6.39 -6.09 -3.33 2.83 3.02 -1.26 -1.38 115.26 115.43 3huz n ASN 50 Ca 0.16 -0.47 -0.13 0.00 -0.03 0.00 0.00 54.58 54.11 3huz n ASN 50 Cb 0.42 -4.74 -0.07 0.00 -0.61 0.00 0.00 39.78 34.78 3huz n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3huz s VAL 51 N -3.28 -0.51 0.79 2.41 1.01 -1.04 -2.23 120.40 117.55 3huz s VAL 51 Ca 0.51 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3huz s VAL 51 Cb -0.23 -0.80 0.15 0.00 0.00 0.00 0.00 36.38 35.51 3huz s VAL 51 CO 0.64 -0.40 1.09 -0.83 0.00 0.00 0.00 175.10 175.59 3huz s GLY 52 N 2.06 1.76 -0.46 4.51 0.00 -1.15 -3.02 107.32 111.02 3huz s GLY 52 Ca 0.13 -1.67 0.07 0.00 0.00 0.00 0.00 44.72 43.25 3huz s GLY 52 CO -0.19 -1.02 0.66 -3.16 0.00 0.00 0.00 173.10 169.38 3huz s MET 53 N -5.34 0.94 1.20 2.90 0.23 -1.26 -2.52 119.30 115.45 3huz s MET 53 Ca 0.69 -0.73 -0.19 0.00 -1.03 0.00 0.00 55.69 54.43 3huz s MET 53 Cb -0.04 -0.05 0.29 0.00 -1.53 0.00 0.00 34.83 33.49 3huz s MET 53 CO 0.47 -1.26 1.12 0.20 -2.03 0.00 0.00 175.02 173.51 3huz s GLY 54 N 1.31 1.59 0.00 3.16 0.00 -1.21 -4.42 107.32 107.75 3huz s GLY 54 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.98 3huz s GLY 54 CO -0.06 -0.09 0.00 0.54 0.00 0.00 0.00 173.10 173.49 3huz n ARG 55 N -4.73 0.00 -1.98 2.90 1.74 -1.26 -2.00 116.66 111.33 3huz n ARG 55 Ca 0.13 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.87 3huz n ARG 55 Cb 0.60 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.07 3huz n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3huz n ASP 56 N 0.00 6.62 0.00 0.55 3.85 -1.26 -4.90 116.55 121.41 3huz n ASP 56 Ca 0.00 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.29 3huz n ASP 56 Cb 0.00 -0.84 0.00 0.00 -1.35 0.00 0.00 41.12 38.93 3huz n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3huz n PHE 57 N -0.60 0.00 -2.09 2.11 3.72 -0.85 -4.63 117.46 115.12 3huz n PHE 57 Ca 0.51 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.52 3huz n PHE 57 Cb 0.47 -1.40 -0.01 0.00 -0.94 0.00 0.00 39.48 37.60 3huz n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3huz s THR 58 N -0.70 2.71 0.23 4.37 2.01 -1.24 -4.53 115.64 118.49 3huz s THR 58 Ca 0.00 0.62 0.10 0.00 0.31 0.00 0.00 61.69 62.72 3huz s THR 58 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3huz s THR 58 CO 0.00 0.08 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.12 3huz s LEU 59 N -2.50 2.83 0.10 4.42 1.43 0.09 -3.33 118.68 121.72 3huz s LEU 59 Ca 0.58 -0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 52.65 3huz s LEU 59 Cb -0.36 -1.43 0.08 0.00 0.03 0.00 0.00 46.19 44.51 3huz s LEU 59 CO 0.46 0.06 0.73 0.72 0.23 0.00 0.00 176.35 178.56 3huz s PHE 60 N -2.08 -0.43 -0.13 0.29 -0.00 -1.05 -1.41 117.98 113.17 3huz s PHE 60 Ca 0.27 0.24 -0.29 0.00 -0.00 0.00 0.00 56.93 57.14 3huz s PHE 60 Cb -0.07 0.56 -0.01 0.00 -0.00 0.00 0.00 43.02 43.50 3huz s PHE 60 CO 0.15 -0.75 1.04 0.00 -0.00 0.00 0.00 175.22 175.67 3huz s ALA 61 N -3.50 3.49 0.10 1.99 0.00 0.17 -2.95 121.76 121.06 3huz s ALA 61 Ca 0.03 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 3huz s ALA 61 Cb -0.01 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 19.45 3huz s ALA 61 CO -0.10 -0.74 1.24 -0.07 0.00 0.00 0.00 175.76 176.09 3huz h LEU 62 N 8.42 0.82 -8.71 0.00 4.07 -1.77 1.08 115.31 119.23 3huz h LEU 62 Ca -0.28 -0.63 -0.34 0.00 0.08 0.00 0.00 57.88 56.70 3huz h LEU 62 Cb 1.13 -0.25 -0.15 0.00 1.08 0.00 0.00 40.66 42.47 3huz h LEU 62 CO 0.89 1.43 -0.70 0.68 -1.08 0.00 0.00 178.44 179.66 3huz s VAL 63 N -3.38 1.17 0.00 1.22 -7.23 -1.26 -4.51 120.40 106.40 3huz s VAL 63 Ca -0.09 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 3huz s VAL 63 Cb 0.08 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 35.06 3huz s VAL 63 CO 0.90 -0.65 0.00 0.47 -0.31 0.00 0.00 175.10 175.51 3huz n ASP 64 N -0.25 -1.18 0.00 4.85 9.92 -1.26 -4.42 116.55 124.20 3huz n ASP 64 Ca -0.09 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 3huz n ASP 64 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 3huz n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3huz n GLY 65 N 0.09 0.48 3.20 0.44 0.00 -1.12 -4.23 105.19 104.06 3huz n GLY 65 Ca 0.00 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 3huz n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huz s VAL 66 N 0.00 1.28 0.45 1.61 1.01 -0.93 -1.32 120.40 122.51 3huz s VAL 66 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 3huz s VAL 66 Cb 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 3huz s VAL 66 CO 0.00 -0.18 0.85 -0.69 0.00 0.00 0.00 175.10 175.08 3huz s VAL 67 N -1.25 4.71 -0.28 2.92 1.01 -1.19 -1.54 120.40 124.79 3huz s VAL 67 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 3huz s VAL 67 Cb -0.10 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.63 3huz s VAL 67 CO 0.03 -0.62 0.74 -1.83 0.00 0.00 0.00 175.10 173.42 3huz s GLU 68 N -4.02 0.66 0.22 2.72 -1.05 -0.49 -2.00 118.70 114.75 3huz s GLU 68 Ca 0.53 1.12 -0.04 0.00 -0.15 0.00 0.00 54.97 56.43 3huz s GLU 68 Cb -0.10 0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.68 3huz s GLU 68 CO 0.33 -0.14 0.47 -0.06 0.95 0.00 0.00 175.26 176.81 3huz s PHE 69 N 1.50 3.47 -0.11 4.83 0.40 -1.26 -0.20 117.98 126.61 3huz s PHE 69 Ca -0.09 0.57 -0.07 0.00 -0.60 0.00 0.00 56.93 56.74 3huz s PHE 69 Cb -0.05 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.49 3huz s PHE 69 CO -0.18 0.30 0.28 -1.14 0.70 0.00 0.00 175.22 175.18 3huz s GLN 70 N -3.18 0.27 0.36 0.44 0.74 -0.06 -4.96 119.66 113.27 3huz s GLN 70 Ca 0.42 0.52 0.07 0.00 0.05 0.00 0.00 55.36 56.42 3huz s GLN 70 Cb -0.11 -0.01 -0.02 0.00 1.10 0.00 0.00 33.01 33.96 3huz s GLN 70 CO 0.27 -0.12 0.35 0.34 -0.55 0.00 0.00 175.29 175.59 3huz s ASP 71 N 0.91 5.32 0.00 6.67 -1.08 -1.26 -0.05 116.67 127.17 3huz s ASP 71 Ca -0.06 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 3huz s ASP 71 Cb -0.07 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 3huz s ASP 71 CO -0.06 -0.47 0.58 0.54 0.52 0.00 0.00 175.17 176.28 3huz n ARG 72 N -1.48 0.00 0.00 4.34 1.74 -1.09 -4.94 116.66 115.23 3huz n ARG 72 Ca 0.01 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3huz n ARG 72 Cb 0.60 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 3huz n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huz n GLY 73 N 0.00 2.78 0.00 -0.13 0.00 -1.26 -0.75 105.19 105.83 3huz n GLY 73 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3huz n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz n ARG 74 N 14.00 0.00 -0.13 1.61 5.12 -1.26 -0.26 116.66 135.74 3huz n ARG 74 Ca 0.00 0.05 -0.23 0.00 -1.93 0.00 0.00 57.85 55.74 3huz n ARG 74 Cb 0.00 -1.57 -0.10 0.00 -1.16 0.00 0.00 32.46 29.63 3huz n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3huz n LEU 75 N -0.82 2.41 0.00 0.55 0.00 0.07 -5.13 117.00 114.08 3huz n LEU 75 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 56.01 56.11 3huz n LEU 75 Cb 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 42.67 3huz n LEU 75 CO 0.00 0.73 0.00 0.61 0.00 0.00 0.00 177.39 178.73 3huz n GLY 76 N 1.82 3.26 3.85 -3.96 0.00 0.64 -5.00 105.19 105.80 3huz n GLY 76 Ca -0.48 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.31 3huz n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huz s ARG 77 N -2.39 3.83 0.24 1.61 0.52 -1.26 -2.68 118.95 118.83 3huz s ARG 77 Ca 0.00 0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 3huz s ARG 77 Cb 0.00 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 3huz s ARG 77 CO 0.00 0.63 0.02 0.71 0.02 0.00 0.00 175.30 176.67 3huz s TYR 78 N -1.24 1.60 -0.07 -0.53 1.51 0.92 0.28 117.35 119.83 3huz s TYR 78 Ca 0.28 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.35 3huz s TYR 78 Cb -0.15 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 3huz s TYR 78 CO 0.15 -0.07 0.16 0.08 -1.11 0.00 0.00 175.55 174.76 3huz s VAL 79 N -3.45 -0.04 0.32 0.71 1.01 -1.17 -0.88 120.40 116.91 3huz s VAL 79 Ca 0.30 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3huz s VAL 79 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3huz s VAL 79 CO 0.10 0.06 0.07 1.41 0.00 0.00 0.00 175.10 176.74 3huz n HIS 80 N 3.96 0.35 -3.20 5.22 -0.00 0.72 -2.10 115.22 120.19 3huz n HIS 80 Ca -0.24 -1.90 -0.22 0.00 -0.00 0.00 0.00 57.72 55.37 3huz n HIS 80 Cb 0.53 -0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.37 3huz n HIS 80 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3huz n VAL 81 N -0.76 -0.81 -1.52 1.59 0.31 -0.48 -1.39 118.33 115.28 3huz n VAL 81 Ca -0.08 -3.20 -0.51 0.00 -0.01 0.00 0.00 64.34 60.55 3huz n VAL 81 Cb 0.46 -1.20 -0.06 0.00 -0.91 0.00 0.00 33.84 32.12 3huz n VAL 81 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3huz n ARG 82 N 2.26 1.30 -1.01 5.55 1.85 -0.59 -4.52 116.66 121.51 3huz n ARG 82 Ca 0.24 0.39 -0.35 0.00 -1.00 0.00 0.00 57.85 57.13 3huz n ARG 82 Cb 0.52 -2.51 0.08 0.00 -1.05 0.00 0.00 32.46 29.50 3huz n ARG 82 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3huz n PRO 83 N 7.74 -0.03 -3.23 2.89 -0.04 -1.26 -2.18 135.00 138.88 3huz n PRO 83 Ca 0.36 0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.46 3huz n PRO 83 Cb 0.24 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 3huz n PRO 83 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3huz s LEU 84 N 1.37 4.20 0.00 1.53 0.05 -1.26 -4.71 118.68 119.86 3huz s LEU 84 Ca 0.56 0.79 0.31 0.00 0.05 0.00 0.00 54.13 55.84 3huz s LEU 84 Cb -0.26 -2.76 1.79 0.00 -2.05 0.00 0.00 46.19 42.91 3huz s LEU 84 CO 0.68 -0.13 2.16 0.00 -0.55 0.00 0.00 176.35 178.51