#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n ALA 2 N 0.00 0.00 -3.09 3.17 0.00 -1.26 -5.17 120.51 114.17 2hgj n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2hgj n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2hgj n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hgj s HIS 3 N 0.00 2.95 0.00 0.00 5.04 -1.26 -4.93 115.29 117.09 2hgj s HIS 3 Ca 0.00 -0.52 0.00 0.00 -1.54 0.00 0.00 55.06 53.00 2hgj s HIS 3 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 32.58 30.67 2hgj s HIS 3 CO 0.00 -0.18 0.00 0.36 -2.34 0.00 0.00 174.74 172.58 2hgj n LYS 4 N 3.78 0.00 0.00 2.88 2.85 -1.26 -5.14 118.16 121.26 2hgj n LYS 4 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 2hgj n LYS 4 Cb 0.52 -0.30 0.00 0.00 -0.65 0.00 0.00 35.03 34.60 2hgj n LYS 4 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2hgj n LYS 5 N -1.25 0.00 0.00 -1.58 4.81 -1.26 -5.19 118.16 113.69 2hgj n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgj n LYS 5 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hgj n LYS 5 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgj n GLY 6 N 0.00 4.67 3.74 3.14 0.00 -1.26 -5.13 105.19 110.35 2hgj n GLY 6 Ca 0.00 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2hgj n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgj s LEU 7 N 0.00 3.60 0.00 0.99 1.02 -1.26 -4.95 118.68 118.09 2hgj s LEU 7 Ca 0.00 2.45 0.00 0.00 0.02 0.00 0.00 54.13 56.60 2hgj s LEU 7 Cb 0.00 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.61 2hgj s LEU 7 CO 0.00 -1.77 0.50 0.61 0.02 0.00 0.00 176.35 175.71 2hgj n GLY 8 N 0.60 0.12 2.77 -3.19 0.00 -1.26 -5.06 105.19 99.17 2hgj n GLY 8 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2hgj n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgj n SER 9 N 0.00 4.01 0.00 1.61 3.41 -1.26 -4.95 113.62 116.44 2hgj n SER 9 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 2hgj n SER 9 Cb 0.55 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2hgj n SER 9 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2hgj n THR 10 N 5.14 0.00 0.00 6.66 -2.24 -1.26 -5.06 114.28 117.53 2hgj n THR 10 Ca 0.53 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 2hgj n THR 10 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2hgj n THR 10 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2hgj n ARG 11 N 0.00 0.00 -1.54 -0.78 1.85 -1.26 -5.01 116.66 109.92 2hgj n ARG 11 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2hgj n ARG 11 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgj n ARG 11 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2hgj n ASN 12 N 0.00 -0.04 -4.57 2.89 5.15 -1.26 -5.04 115.26 112.38 2hgj n ASN 12 Ca 0.00 -2.02 -0.31 0.00 -0.60 0.00 0.00 54.58 51.65 2hgj n ASN 12 Cb 0.00 0.04 -0.05 0.00 -0.53 0.00 0.00 39.78 39.24 2hgj n ASN 12 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2hgj s GLY 13 N -1.66 0.45 -0.09 8.20 0.00 -1.26 -4.82 107.32 108.14 2hgj s GLY 13 Ca 0.17 -2.13 -0.03 0.00 0.00 0.00 0.00 44.72 42.72 2hgj s GLY 13 CO -0.08 3.37 0.08 0.50 0.00 0.00 0.00 173.10 176.96 2hgj s ARG 14 N 6.17 -0.03 -0.08 2.90 1.81 -1.26 -5.13 118.95 123.33 2hgj s ARG 14 Ca 0.65 0.24 -0.03 0.00 -1.72 0.00 0.00 55.73 54.87 2hgj s ARG 14 Cb -0.01 -0.93 0.04 0.00 -0.45 0.00 0.00 34.95 33.60 2hgj s ARG 14 CO 0.08 -0.44 0.10 -0.51 -0.68 0.00 0.00 175.30 173.85 2hgj s ASP 15 N 2.17 1.23 -0.33 0.23 1.11 -1.26 -5.14 116.67 114.68 2hgj s ASP 15 Ca 0.04 0.03 -0.29 0.00 0.18 0.00 0.00 52.55 52.51 2hgj s ASP 15 Cb -0.13 -0.00 0.02 0.00 1.07 0.00 0.00 42.92 43.87 2hgj s ASP 15 CO -0.05 -0.27 1.10 -0.94 1.18 0.00 0.00 175.17 176.18 2hgj s SER 16 N 2.21 6.89 0.54 0.27 1.04 -1.26 -5.03 113.70 118.36 2hgj s SER 16 Ca 0.04 1.02 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 2hgj s SER 16 Cb -0.13 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.39 2hgj s SER 16 CO -0.05 -0.92 1.07 -1.58 0.98 0.00 0.00 173.24 172.74 2hgj s GLN 17 N 3.74 3.51 0.62 4.02 2.00 -1.26 -4.99 119.66 127.30 2hgj s GLN 17 Ca 0.46 1.37 -0.14 0.00 -2.00 0.00 0.00 55.36 55.05 2hgj s GLN 17 Cb -0.12 -2.05 -0.11 0.00 0.80 0.00 0.00 33.01 31.53 2hgj s GLN 17 CO 0.17 -0.68 -0.76 0.00 -0.50 0.00 0.00 175.29 173.52 2hgj n ALA 18 N -1.42 -3.94 -3.61 1.58 0.00 -1.26 -5.05 120.51 106.81 2hgj n ALA 18 Ca 0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.81 2hgj n ALA 18 Cb 0.52 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 2hgj n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2hgj s LYS 19 N -1.23 0.33 0.00 0.00 2.20 -1.26 -5.18 119.74 114.60 2hgj s LYS 19 Ca 0.23 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2hgj s LYS 19 Cb -0.01 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2hgj s LYS 19 CO 0.45 -0.10 0.00 0.54 -0.36 0.00 0.00 175.35 175.88 2hgj n ARG 20 N 0.60 0.00 0.00 4.03 5.12 -1.26 -5.12 116.66 120.04 2hgj n ARG 20 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2hgj n ARG 20 Cb 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 2hgj n ARG 20 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2hgj n LEU 21 N 0.00 0.00 0.00 0.55 7.94 -1.26 -5.11 117.00 119.12 2hgj n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2hgj n LEU 21 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2hgj n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2hgj n GLY 22 N -0.99 -0.49 3.56 -3.96 0.00 0.07 -4.81 105.19 98.57 2hgj n GLY 22 Ca 0.00 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 2hgj n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgj s VAL 23 N -0.64 3.78 -0.61 1.61 1.01 -1.26 -1.20 120.40 123.09 2hgj s VAL 23 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2hgj s VAL 23 Cb 0.00 -4.74 0.32 0.00 0.00 0.00 0.00 36.38 31.96 2hgj s VAL 23 CO 0.00 -1.64 0.93 0.29 0.00 0.00 0.00 175.10 174.69 2hgj n LYS 24 N 8.87 3.16 0.00 2.72 5.02 -0.35 -4.95 118.16 132.62 2hgj n LYS 24 Ca 0.35 -4.82 0.00 0.00 -2.02 0.00 0.00 58.31 51.82 2hgj n LYS 24 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2hgj n LYS 24 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2hgj n ARG 25 N 0.00 0.00 -3.02 1.97 5.12 -1.20 -4.37 116.66 115.16 2hgj n ARG 25 Ca 0.31 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.83 2hgj n ARG 25 Cb 0.39 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.64 2hgj n ARG 25 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2hgj s TYR 26 N 0.00 3.69 0.03 -1.55 -0.85 -1.26 -4.99 117.35 112.42 2hgj s TYR 26 Ca 0.00 1.39 -0.18 0.00 -0.52 0.00 0.00 57.07 57.76 2hgj s TYR 26 Cb 0.00 -2.79 -0.09 0.00 0.38 0.00 0.00 41.96 39.45 2hgj s TYR 26 CO 0.00 0.23 0.44 -1.91 -1.52 0.00 0.00 175.55 172.79 2hgj n GLU 27 N 3.05 0.00 0.00 -3.49 4.07 -1.26 -3.19 120.64 119.82 2hgj n GLU 27 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 2hgj n GLU 27 Cb 0.51 -0.66 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 2hgj n GLU 27 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hgj n GLY 28 N 0.83 1.74 0.00 8.31 0.00 -0.12 -4.89 105.19 111.06 2hgj n GLY 28 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2hgj n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hgj n GLN 29 N 0.00 0.00 -1.57 1.61 7.27 -1.19 0.35 117.38 123.85 2hgj n GLN 29 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 2hgj n GLN 29 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 2hgj n GLN 29 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2hgj n VAL 30 N 0.00 0.34 -3.82 1.69 0.24 -1.26 -1.41 118.33 114.12 2hgj n VAL 30 Ca 0.00 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.34 61.66 2hgj n VAL 30 Cb 0.00 -2.29 -0.17 0.00 -1.47 0.00 0.00 33.84 29.91 2hgj n VAL 30 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2hgj s VAL 31 N 7.62 0.72 0.13 3.34 0.11 -0.19 -4.93 120.40 127.20 2hgj s VAL 31 Ca 1.02 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.79 2hgj s VAL 31 Cb -0.49 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 2hgj s VAL 31 CO 0.40 0.13 0.14 -0.13 -3.33 0.00 0.00 175.10 172.31 2hgj s ARG 32 N 1.81 3.00 0.57 1.54 0.52 -1.26 -1.28 118.95 123.84 2hgj s ARG 32 Ca 0.02 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.30 2hgj s ARG 32 Cb -0.14 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 32.52 2hgj s ARG 32 CO -0.07 0.52 0.70 0.00 0.02 0.00 0.00 175.30 176.47 2hgj n ALA 33 N -0.08 -0.64 0.00 2.13 0.00 -0.47 -1.04 120.51 120.41 2hgj n ALA 33 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2hgj n ALA 33 Cb 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2hgj n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 34 N 1.59 3.20 3.72 0.00 0.00 -0.34 -4.94 105.19 108.41 2hgj n GLY 34 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2hgj n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hgj s ASN 35 N -0.26 6.90 0.56 1.61 0.02 -0.20 -4.91 114.94 118.67 2hgj s ASN 35 Ca 0.00 1.08 -0.15 0.00 -1.02 0.00 0.00 52.86 52.78 2hgj s ASN 35 Cb 0.00 -2.38 -0.06 0.00 0.02 0.00 0.00 41.25 38.84 2hgj s ASN 35 CO 0.00 -0.08 1.01 -0.51 0.02 0.00 0.00 177.10 177.54 2hgj s ILE 36 N 0.72 4.47 0.00 0.60 2.07 -1.26 -0.89 121.20 126.90 2hgj s ILE 36 Ca 0.34 1.06 0.00 0.00 -1.41 0.00 0.00 60.65 60.64 2hgj s ILE 36 Cb -0.17 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.71 2hgj s ILE 36 CO 0.16 -0.80 0.00 0.18 -1.91 0.00 0.00 174.94 172.57 2hgj n LEU 37 N -2.02 0.00 -3.73 8.50 4.77 0.37 -4.74 117.00 120.15 2hgj n LEU 37 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2hgj n LEU 37 Cb 0.54 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 2hgj n LEU 37 CO 0.50 -0.43 0.05 0.68 -1.33 0.00 0.00 177.39 176.86 2hgj s VAL 38 N -0.85 -0.01 -0.10 4.08 -7.23 -0.93 -1.21 120.40 114.14 2hgj s VAL 38 Ca 0.00 0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 2hgj s VAL 38 Cb 0.00 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 2hgj s VAL 38 CO 0.00 0.01 0.02 -0.13 -0.31 0.00 0.00 175.10 174.69 2hgj s ARG 39 N 0.60 3.11 0.09 4.82 0.52 -0.34 -0.43 118.95 127.31 2hgj s ARG 39 Ca -0.03 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2hgj s ARG 39 Cb -0.05 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 2hgj s ARG 39 CO -0.04 0.67 -0.12 1.14 0.02 0.00 0.00 175.30 176.97 2hgj s GLN 40 N -0.78 0.83 -0.45 3.54 -2.07 -0.18 -0.75 119.66 119.81 2hgj s GLN 40 Ca 0.12 -1.06 0.04 0.00 -1.82 0.00 0.00 55.36 52.64 2hgj s GLN 40 Cb -0.12 -0.67 0.48 0.00 -1.09 0.00 0.00 33.01 31.62 2hgj s GLN 40 CO 0.02 0.13 1.62 0.54 -1.32 0.00 0.00 175.29 176.28 2hgj n ARG 41 N 0.89 2.79 0.00 9.60 5.12 -1.26 -4.56 116.66 129.24 2hgj n ARG 41 Ca -0.18 -3.55 0.00 0.00 -1.93 0.00 0.00 57.85 52.19 2hgj n ARG 41 Cb 0.56 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 2hgj n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgj n GLY 42 N -0.91 1.51 2.69 -0.13 0.00 -1.26 -5.08 105.19 102.00 2hgj n GLY 42 Ca 0.50 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.80 2hgj n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgj n THR 43 N 0.00 0.00 0.11 2.61 -1.04 -1.26 -4.83 114.28 109.86 2hgj n THR 43 Ca 0.00 -1.37 0.10 0.00 -2.04 0.00 0.00 64.05 60.74 2hgj n THR 43 Cb 0.00 0.98 0.27 0.00 -1.82 0.00 0.00 70.33 69.76 2hgj n THR 43 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2hgj n ARG 44 N -0.76 2.40 -3.71 -2.82 0.63 -1.26 -4.63 116.66 106.52 2hgj n ARG 44 Ca -0.06 -2.18 -0.30 0.00 -0.92 0.00 0.00 57.85 54.39 2hgj n ARG 44 Cb 0.85 -1.48 -0.13 0.00 0.45 0.00 0.00 32.46 32.15 2hgj n ARG 44 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2hgj s PHE 45 N -1.22 1.92 -0.41 -0.14 2.99 -1.26 -4.37 117.98 115.48 2hgj s PHE 45 Ca 0.41 -2.30 -0.18 0.00 0.00 0.00 0.00 56.93 54.86 2hgj s PHE 45 Cb 0.21 -1.84 0.02 0.00 0.00 0.00 0.00 43.02 41.41 2hgj s PHE 45 CO 0.28 -0.80 0.46 -1.59 -0.00 0.00 0.00 175.22 173.57 2hgj s LYS 46 N 0.58 3.19 -0.54 0.44 0.00 -0.02 -4.97 119.74 118.42 2hgj s LYS 46 Ca 0.16 -0.65 -0.26 0.00 0.00 0.00 0.00 55.97 55.23 2hgj s LYS 46 Cb -0.23 -3.94 -0.08 0.00 0.00 0.00 0.00 37.83 33.57 2hgj s LYS 46 CO -0.03 -0.83 2.42 -2.30 0.00 0.00 0.00 175.35 174.62 2hgj n PRO 47 N 5.66 0.96 -0.19 1.78 -0.02 -1.26 -1.07 135.00 140.86 2hgj n PRO 47 Ca -0.07 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2hgj n PRO 47 Cb 0.48 -3.47 0.00 0.00 -0.02 0.00 0.00 33.50 30.48 2hgj n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgj n GLY 48 N 6.13 0.77 3.64 -1.23 0.00 0.01 -4.81 105.19 109.69 2hgj n GLY 48 Ca 0.39 -1.89 -0.49 0.00 0.00 0.00 0.00 46.02 44.03 2hgj n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgj n LYS 49 N -0.33 1.73 -0.91 1.61 5.02 -1.26 -0.80 118.16 123.22 2hgj n LYS 49 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2hgj n LYS 49 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 2hgj n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hgj n ASN 50 N 3.16 -2.31 -4.40 4.39 3.02 -1.26 -1.03 115.26 116.83 2hgj n ASN 50 Ca 0.18 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.28 2hgj n ASN 50 Cb 0.25 -1.35 -0.06 0.00 -0.61 0.00 0.00 39.78 38.01 2hgj n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2hgj s VAL 51 N -2.16 4.95 -0.22 2.41 1.01 0.02 -0.91 120.40 125.50 2hgj s VAL 51 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 2hgj s VAL 51 Cb 0.00 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2hgj s VAL 51 CO 0.00 -0.89 0.65 -0.83 0.00 0.00 0.00 175.10 174.03 2hgj s GLY 52 N 3.10 1.93 -0.52 4.51 0.00 -0.10 -4.34 107.32 111.90 2hgj s GLY 52 Ca 0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 44.72 44.33 2hgj s GLY 52 CO 0.08 1.42 0.61 -0.29 0.00 0.00 0.00 173.10 174.92 2hgj s MET 53 N 2.24 3.09 0.50 2.90 1.75 -1.26 -0.36 119.30 128.16 2hgj s MET 53 Ca 0.28 -1.03 -0.22 0.00 -1.25 0.00 0.00 55.69 53.47 2hgj s MET 53 Cb -0.16 -4.13 -0.06 0.00 2.84 0.00 0.00 34.83 33.32 2hgj s MET 53 CO 0.09 -1.25 1.26 0.20 -0.65 0.00 0.00 175.02 174.67 2hgj s GLY 54 N 2.85 2.83 0.00 2.11 0.00 -0.02 -4.76 107.32 110.32 2hgj s GLY 54 Ca 0.13 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2hgj s GLY 54 CO 0.10 1.61 0.50 0.54 0.00 0.00 0.00 173.10 175.85 2hgj n ARG 55 N -0.75 0.00 0.00 2.90 5.12 -1.26 -1.02 116.66 121.65 2hgj n ARG 55 Ca 0.09 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2hgj n ARG 55 Cb 0.47 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 2hgj n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2hgj n ASP 56 N 3.23 0.00 -2.23 0.55 5.75 -1.26 -5.00 116.55 117.58 2hgj n ASP 56 Ca 0.00 -0.25 -0.09 0.00 -0.01 0.00 0.00 54.79 54.44 2hgj n ASP 56 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 2hgj n ASP 56 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2hgj n PHE 57 N 0.00 -1.19 -3.86 2.11 3.01 -0.19 -4.84 117.46 112.51 2hgj n PHE 57 Ca 0.00 0.49 -0.30 0.00 1.01 0.00 0.00 57.45 58.66 2hgj n PHE 57 Cb 0.12 -3.52 -0.16 0.00 -0.01 0.00 0.00 39.48 35.92 2hgj n PHE 57 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2hgj s THR 58 N -3.18 1.22 -0.13 4.37 2.01 -1.24 -1.01 115.64 117.68 2hgj s THR 58 Ca 0.05 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 2hgj s THR 58 Cb -0.02 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 2hgj s THR 58 CO 0.38 -0.28 1.26 -0.76 -0.69 0.00 0.00 174.62 174.53 2hgj s LEU 59 N 1.51 4.22 0.02 4.42 1.43 0.42 -0.84 118.68 129.86 2hgj s LEU 59 Ca -0.00 1.76 0.07 0.00 -1.03 0.00 0.00 54.13 54.92 2hgj s LEU 59 Cb -0.18 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2hgj s LEU 59 CO -0.10 -0.72 -0.21 0.72 0.23 0.00 0.00 176.35 176.27 2hgj s PHE 60 N 3.12 1.86 -0.36 0.29 -0.12 0.51 -0.48 117.98 122.80 2hgj s PHE 60 Ca 0.56 -0.37 -0.27 0.00 -0.05 0.00 0.00 56.93 56.80 2hgj s PHE 60 Cb -0.23 -1.14 -0.05 0.00 -0.63 0.00 0.00 43.02 40.96 2hgj s PHE 60 CO 0.17 0.05 2.24 0.00 -0.05 0.00 0.00 175.22 177.63 2hgj s ALA 61 N -0.68 2.27 -0.32 1.99 0.00 -0.07 -0.92 121.76 124.03 2hgj s ALA 61 Ca 0.08 0.35 0.23 0.00 0.00 0.00 0.00 51.96 52.62 2hgj s ALA 61 Cb -0.09 -4.19 0.10 0.00 0.00 0.00 0.00 23.12 18.95 2hgj s ALA 61 CO 0.01 -3.51 1.18 1.25 0.00 0.00 0.00 175.76 174.69 2hgj h LEU 62 N 16.84 0.00 0.00 0.00 6.46 -1.33 -0.88 115.31 136.39 2hgj h LEU 62 Ca -0.33 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.38 2hgj h LEU 62 Cb 1.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 2hgj h LEU 62 CO 1.06 0.01 -0.03 1.33 -0.62 0.00 0.00 178.44 180.19 2hgj n VAL 63 N -2.70 0.00 -3.56 1.05 0.24 -1.25 -4.79 118.33 107.33 2hgj n VAL 63 Ca 0.01 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.75 2hgj n VAL 63 Cb 0.53 0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.90 2hgj n VAL 63 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hgj s ASP 64 N -1.14 5.77 0.06 -1.34 2.15 -1.26 -1.37 116.67 119.53 2hgj s ASP 64 Ca 0.02 -2.32 -0.00 0.00 0.43 0.00 0.00 52.55 50.68 2hgj s ASP 64 Cb 0.00 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 2hgj s ASP 64 CO 0.02 -0.58 0.08 0.61 -0.17 0.00 0.00 175.17 175.13 2hgj n GLY 65 N 4.34 2.99 3.89 2.66 0.00 -0.41 -1.42 105.19 117.25 2hgj n GLY 65 Ca 0.01 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 2hgj n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj s VAL 66 N -2.49 4.86 -0.78 1.61 0.11 -0.24 -1.02 120.40 122.46 2hgj s VAL 66 Ca 0.05 -1.16 -0.26 0.00 -2.93 0.00 0.00 61.98 57.68 2hgj s VAL 66 Cb -0.00 -3.62 -0.17 0.00 -1.53 0.00 0.00 36.38 31.06 2hgj s VAL 66 CO 0.03 -0.32 2.49 0.52 -3.33 0.00 0.00 175.10 174.49 2hgj n VAL 67 N -1.21 -0.03 -3.36 2.04 0.31 1.09 -1.47 118.33 115.69 2hgj n VAL 67 Ca -0.08 -0.44 -0.46 0.00 -0.01 0.00 0.00 64.34 63.35 2hgj n VAL 67 Cb 0.57 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 2hgj n VAL 67 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hgj s GLU 68 N 8.47 3.57 -0.23 5.55 8.01 -0.06 -0.94 118.70 143.07 2hgj s GLU 68 Ca 1.15 -2.54 -0.29 0.00 0.01 0.00 0.00 54.97 53.30 2hgj s GLU 68 Cb -0.64 -4.38 -0.03 0.00 -4.31 0.00 0.00 34.13 24.78 2hgj s GLU 68 CO 0.36 -1.28 1.62 -0.06 0.01 0.00 0.00 175.26 175.90 2hgj s PHE 69 N 0.00 2.11 -0.86 1.61 0.40 -1.26 -0.73 117.98 119.25 2hgj s PHE 69 Ca 0.19 0.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.08 2hgj s PHE 69 Cb -0.11 -3.99 0.32 0.00 0.51 0.00 0.00 43.02 39.75 2hgj s PHE 69 CO -0.09 -2.91 1.42 0.94 0.70 0.00 0.00 175.22 175.29 2hgj n GLN 70 N 7.68 4.42 -1.46 0.44 7.27 -0.10 -4.91 117.38 130.72 2hgj n GLN 70 Ca 0.19 -4.73 -0.12 0.00 0.07 0.00 0.00 57.00 52.41 2hgj n GLN 70 Cb 0.45 -2.38 -0.10 0.00 2.41 0.00 0.00 30.24 30.62 2hgj n GLN 70 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2hgj n ASP 71 N 0.08 0.53 -1.52 1.69 8.00 -1.21 -0.93 116.55 123.19 2hgj n ASP 71 Ca 0.38 -1.74 -0.01 0.00 0.71 0.00 0.00 54.79 54.14 2hgj n ASP 71 Cb 0.32 -1.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.06 2hgj n ASP 71 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hgj n ARG 72 N 7.37 1.04 0.00 -1.24 5.12 -0.42 -4.90 116.66 123.63 2hgj n ARG 72 Ca 0.39 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 2hgj n ARG 72 Cb 0.42 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 2hgj n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgj n GLY 73 N 1.51 0.46 0.42 -0.13 0.00 -1.26 -1.22 105.19 104.97 2hgj n GLY 73 Ca 0.02 -0.33 0.26 0.00 0.00 0.00 0.00 46.02 45.97 2hgj n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgj n ARG 74 N 0.00 0.01 0.09 1.61 -4.01 -1.26 -1.04 116.66 112.06 2hgj n ARG 74 Ca 0.00 0.74 -0.05 0.00 -1.04 0.00 0.00 57.85 57.50 2hgj n ARG 74 Cb 0.00 -1.79 0.12 0.00 -3.04 0.00 0.00 32.46 27.75 2hgj n ARG 74 CO 0.00 0.00 0.00 -0.07 -3.04 0.00 0.00 177.63 174.52 2hgj h LEU 75 N 0.00 0.22 0.00 2.89 4.07 -1.58 -3.47 115.31 117.45 2hgj h LEU 75 Ca 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.29 2hgj h LEU 75 Cb 2.30 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.97 2hgj h LEU 75 CO -0.00 0.79 0.00 0.61 -1.08 0.00 0.00 178.44 178.75 2hgj n GLY 76 N 0.30 3.53 3.55 0.83 0.00 -0.20 -5.03 105.19 108.16 2hgj n GLY 76 Ca -0.02 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 2hgj n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgj s ARG 77 N -2.37 2.98 0.16 1.61 1.81 -1.26 -1.30 118.95 120.57 2hgj s ARG 77 Ca 0.00 -0.19 0.06 0.00 -1.72 0.00 0.00 55.73 53.88 2hgj s ARG 77 Cb 0.00 -4.67 -0.04 0.00 -0.45 0.00 0.00 34.95 29.79 2hgj s ARG 77 CO 0.00 -2.59 0.07 0.71 -0.68 0.00 0.00 175.30 172.81 2hgj s TYR 78 N 7.46 3.02 0.04 -0.53 1.51 -0.10 -0.84 117.35 127.91 2hgj s TYR 78 Ca 0.54 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 56.54 2hgj s TYR 78 Cb -0.07 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 2hgj s TYR 78 CO 0.08 0.52 -0.04 0.14 -1.11 0.00 0.00 175.55 175.14 2hgj s VAL 79 N -1.70 0.21 0.24 0.71 -7.23 -0.23 -0.92 120.40 111.48 2hgj s VAL 79 Ca 0.29 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 2hgj s VAL 79 Cb -0.10 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2hgj s VAL 79 CO 0.21 -0.69 0.27 -1.00 -0.31 0.00 0.00 175.10 173.58 2hgj s HIS 80 N -2.44 1.01 -0.05 2.82 3.76 0.09 -0.81 115.29 119.67 2hgj s HIS 80 Ca -0.06 -1.24 0.04 0.00 -0.15 0.00 0.00 55.06 53.66 2hgj s HIS 80 Cb -0.03 -0.34 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 2hgj s HIS 80 CO -0.04 -0.80 -0.17 0.08 -0.85 0.00 0.00 174.74 172.95 2hgj s VAL 81 N -3.94 2.77 0.00 -0.90 1.01 -0.20 -0.88 120.40 118.26 2hgj s VAL 81 Ca 0.34 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2hgj s VAL 81 Cb 0.04 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2hgj s VAL 81 CO 0.14 0.58 0.08 -0.60 0.00 0.00 0.00 175.10 175.30 2hgj s ARG 82 N -0.55 3.04 -0.92 2.72 3.00 -0.54 -4.72 118.95 120.97 2hgj s ARG 82 Ca 0.08 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.73 54.14 2hgj s ARG 82 Cb -0.11 -2.84 -0.26 0.00 0.00 0.00 0.00 34.95 31.73 2hgj s ARG 82 CO 0.01 0.64 2.26 -2.30 0.00 0.00 0.00 175.30 175.91 2hgj n PRO 83 N 1.13 0.21 0.00 5.12 -0.02 -1.26 -1.07 135.00 139.10 2hgj n PRO 83 Ca -0.13 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 2hgj n PRO 83 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2hgj n PRO 83 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2hgj n LEU 84 N 10.33 0.00 0.00 2.45 7.94 -0.51 -4.95 117.00 132.27 2hgj n LEU 84 Ca 0.60 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 2hgj n LEU 84 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 2hgj n LEU 84 CO 0.90 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 177.18