#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hz2 n ALA 2 N 0.00 -2.66 -1.73 -2.53 0.00 -1.26 -4.93 120.51 107.39 3hz2 n ALA 2 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 3hz2 n ALA 2 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.73 3hz2 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hz2 n ALA 3 N -0.31 1.65 -3.62 0.00 0.00 -1.26 -4.72 120.51 112.25 3hz2 n ALA 3 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 3hz2 n ALA 3 Cb 0.00 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.05 3hz2 n ALA 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hz2 s GLU 4 N -2.22 0.74 -0.01 0.00 2.12 -0.76 -4.56 118.70 114.00 3hz2 s GLU 4 Ca 0.59 1.06 -0.02 0.00 0.36 0.00 0.00 54.97 56.96 3hz2 s GLU 4 Cb -0.49 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.16 3hz2 s GLU 4 CO 0.59 -0.12 0.05 0.54 -0.54 0.00 0.00 175.26 175.78 3hz2 s VAL 5 N 0.95 0.02 -0.15 3.70 0.11 -0.32 -0.84 120.40 123.87 3hz2 s VAL 5 Ca -0.05 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 3hz2 s VAL 5 Cb -0.05 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 3hz2 s VAL 5 CO -0.09 -0.10 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.77 3hz2 s ILE 6 N -0.30 2.39 -0.01 7.04 1.01 -0.23 -0.28 121.20 130.83 3hz2 s ILE 6 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3hz2 s ILE 6 Cb -0.02 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3hz2 s ILE 6 CO 0.00 0.53 0.04 0.68 0.00 0.00 0.00 174.94 176.18 3hz2 s VAL 7 N 0.85 4.43 0.05 2.92 -7.23 -0.62 -0.98 120.40 119.82 3hz2 s VAL 7 Ca -0.05 -0.47 0.06 0.00 -1.81 0.00 0.00 61.98 59.71 3hz2 s VAL 7 Cb -0.15 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 3hz2 s VAL 7 CO -0.02 0.39 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.68 3hz2 s TYR 8 N -1.11 1.54 0.11 2.82 1.51 -0.46 -1.56 117.35 120.21 3hz2 s TYR 8 Ca 0.20 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.71 3hz2 s TYR 8 Cb -0.12 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 3hz2 s TYR 8 CO 0.11 0.08 1.62 1.49 -1.11 0.00 0.00 175.55 177.74 3hz2 h GLU 9 N 4.76 0.45 -6.18 -0.62 4.81 -0.33 0.16 114.58 117.62 3hz2 h GLU 9 Ca -0.41 -0.10 -0.52 0.00 -0.13 0.00 0.00 59.36 58.20 3hz2 h GLU 9 Cb 1.17 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 3hz2 h GLU 9 CO 0.43 0.51 -0.52 -1.01 -0.73 0.00 0.00 179.01 177.69 3hz2 s HIS 10 N -5.38 2.91 0.88 0.92 3.76 0.83 -3.52 115.29 115.68 3hz2 s HIS 10 Ca -0.13 -0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 3hz2 s HIS 10 Cb 0.08 -1.55 0.12 0.00 1.11 0.00 0.00 32.58 32.35 3hz2 s HIS 10 CO 0.74 0.39 1.12 0.14 -0.85 0.00 0.00 174.74 176.28 3hz2 s VAL 11 N -2.27 2.45 -1.51 -0.90 -7.23 -1.26 -2.37 120.40 107.31 3hz2 s VAL 11 Ca 0.36 0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 60.64 3hz2 s VAL 11 Cb -0.06 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3hz2 s VAL 11 CO 0.24 -0.19 0.49 0.59 -0.31 0.00 0.00 175.10 175.92 3hz2 n ASN 12 N -4.04 -5.87 -3.74 4.85 5.03 0.29 -3.17 115.26 108.61 3hz2 n ASN 12 Ca 0.11 -0.23 -0.25 0.00 0.87 0.00 0.00 54.58 55.07 3hz2 n ASN 12 Cb 0.52 -4.72 0.05 0.00 -1.02 0.00 0.00 39.78 34.61 3hz2 n ASN 12 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3hz2 n PHE 13 N -4.39 -2.39 -3.50 3.10 3.01 -1.17 -5.00 117.46 107.12 3hz2 n PHE 13 Ca -0.13 0.93 -0.22 0.00 1.01 0.00 0.00 57.45 59.04 3hz2 n PHE 13 Cb 0.62 -4.47 0.00 0.00 -0.01 0.00 0.00 39.48 35.63 3hz2 n PHE 13 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hz2 s GLY 14 N -3.62 2.11 0.00 1.37 0.00 -1.00 -4.93 107.32 101.25 3hz2 s GLY 14 Ca 0.45 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3hz2 s GLY 14 CO 0.79 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 172.74 3hz2 n GLY 15 N -1.79 -0.09 3.77 0.20 0.00 -1.26 -0.12 105.19 105.90 3hz2 n GLY 15 Ca 0.05 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3hz2 n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hz2 s LYS 16 N 0.00 4.24 0.14 1.61 2.47 -1.26 -4.66 119.74 122.29 3hz2 s LYS 16 Ca 0.00 2.38 0.04 0.00 -1.56 0.00 0.00 55.97 56.83 3hz2 s LYS 16 Cb 0.00 -3.03 -0.04 0.00 -1.46 0.00 0.00 37.83 33.29 3hz2 s LYS 16 CO 0.00 -0.37 -0.09 -1.54 0.16 0.00 0.00 175.35 173.51 3hz2 s SER 17 N -0.22 1.68 -0.06 1.43 1.04 -1.26 -0.21 113.70 116.09 3hz2 s SER 17 Ca 0.52 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 3hz2 s SER 17 Cb -0.43 0.01 0.04 0.00 0.10 0.00 0.00 66.02 65.74 3hz2 s SER 17 CO 0.56 -0.36 0.14 0.12 0.98 0.00 0.00 173.24 174.67 3hz2 s PHE 18 N -3.39 -0.14 -0.43 5.02 5.36 -0.60 -4.99 117.98 118.81 3hz2 s PHE 18 Ca 0.17 0.47 -0.16 0.00 -0.96 0.00 0.00 56.93 56.44 3hz2 s PHE 18 Cb 0.03 -0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.61 3hz2 s PHE 18 CO 0.00 -0.18 0.38 0.34 -1.46 0.00 0.00 175.22 174.30 3hz2 s ASP 19 N 1.38 6.15 -0.16 6.13 -1.08 -1.26 -1.59 116.67 126.24 3hz2 s ASP 19 Ca -0.07 -0.93 -0.06 0.00 -0.52 0.00 0.00 52.55 50.97 3hz2 s ASP 19 Cb -0.12 -2.19 -0.04 0.00 -1.46 0.00 0.00 42.92 39.11 3hz2 s ASP 19 CO -0.06 -0.55 0.06 0.00 0.52 0.00 0.00 175.17 175.14 3hz2 s ALA 20 N 1.85 3.43 0.00 3.66 0.00 0.62 -4.94 121.76 126.38 3hz2 s ALA 20 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3hz2 s ALA 20 Cb -0.20 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3hz2 s ALA 20 CO 0.10 0.30 0.59 0.25 0.00 0.00 0.00 175.76 177.01 3hz2 n THR 21 N 3.11 0.32 -4.09 0.00 -2.24 -1.26 -1.17 114.28 108.95 3hz2 n THR 21 Ca -0.17 -0.54 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 3hz2 n THR 21 Cb 0.53 0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 69.64 3hz2 n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hz2 s SER 22 N -0.32 0.25 0.47 3.42 1.04 -1.26 -4.86 113.70 112.44 3hz2 s SER 22 Ca 0.00 -1.11 -0.24 0.00 0.48 0.00 0.00 55.95 55.08 3hz2 s SER 22 Cb 0.00 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 3hz2 s SER 22 CO 0.00 -0.76 1.35 -1.81 0.98 0.00 0.00 173.24 173.00 3hz2 s ASP 23 N -3.02 5.81 -0.44 7.02 1.01 -1.26 -4.94 116.67 120.85 3hz2 s ASP 23 Ca 0.21 2.75 0.03 0.00 0.71 0.00 0.00 52.55 56.25 3hz2 s ASP 23 Cb 0.06 -2.64 0.12 0.00 1.01 0.00 0.00 42.92 41.48 3hz2 s ASP 23 CO 0.00 -1.21 0.19 -1.10 0.21 0.00 0.00 175.17 173.27 3hz2 s GLN 24 N -2.57 1.56 0.00 8.23 -1.52 0.87 -4.96 119.66 121.27 3hz2 s GLN 24 Ca 0.64 -2.15 0.11 0.00 -1.95 0.00 0.00 55.36 52.01 3hz2 s GLN 24 Cb -0.40 -2.90 0.59 0.00 -0.22 0.00 0.00 33.01 30.08 3hz2 s GLN 24 CO 0.50 -1.08 1.24 -0.35 -0.25 0.00 0.00 175.29 175.35 3hz2 n PRO 25 N 3.64 0.19 -0.05 2.91 -0.04 -1.26 -0.93 135.00 139.46 3hz2 n PRO 25 Ca 0.05 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 3hz2 n PRO 25 Cb 0.36 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 3hz2 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hz2 n GLY 26 N -0.32 0.83 2.30 0.55 0.00 -1.25 -0.94 105.19 106.37 3hz2 n GLY 26 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3hz2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hz2 n ALA 27 N -0.38 -0.14 0.00 4.61 0.00 -0.93 -4.21 120.51 119.45 3hz2 n ALA 27 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3hz2 n ALA 27 Cb 0.42 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hz2 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hz2 n GLY 28 N -1.74 -3.60 3.60 0.00 0.00 -1.26 -4.43 105.19 97.76 3hz2 n GLY 28 Ca -0.09 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3hz2 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hz2 s ASP 29 N -0.83 5.81 -1.49 1.61 1.11 -1.26 -3.64 116.67 117.98 3hz2 s ASP 29 Ca 0.00 1.27 -0.13 0.00 0.18 0.00 0.00 52.55 53.87 3hz2 s ASP 29 Cb 0.00 -2.52 0.10 0.00 1.07 0.00 0.00 42.92 41.56 3hz2 s ASP 29 CO 0.00 -1.78 0.74 -3.20 1.18 0.00 0.00 175.17 172.11 3hz2 n ASN 30 N 10.60 -4.12 -0.07 0.27 4.05 -1.26 -4.86 115.26 119.87 3hz2 n ASN 30 Ca 0.23 -0.67 0.01 0.00 0.45 0.00 0.00 54.58 54.60 3hz2 n ASN 30 Cb 0.47 -3.35 0.02 0.00 1.23 0.00 0.00 39.78 38.15 3hz2 n ASN 30 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3hz2 n LEU 31 N -4.23 2.06 -4.74 1.20 4.77 -1.24 -4.98 117.00 109.85 3hz2 n LEU 31 Ca 0.03 -1.96 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 3hz2 n LEU 31 Cb 0.53 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3hz2 n LEU 31 CO 0.68 0.51 1.20 0.21 -1.33 0.00 0.00 177.39 178.67 3hz2 s ASN 32 N -0.96 6.53 -1.47 -1.43 2.47 -1.26 -2.43 114.94 116.40 3hz2 s ASN 32 Ca 0.03 2.75 -0.08 0.00 0.42 0.00 0.00 52.86 55.98 3hz2 s ASN 32 Cb 0.01 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.23 3hz2 s ASN 32 CO 0.02 -0.82 0.76 0.47 -3.72 0.00 0.00 177.10 173.81 3hz2 n ASP 33 N 2.88 -5.57 0.00 -4.21 10.43 -0.44 -4.83 116.55 114.82 3hz2 n ASP 33 Ca 0.10 -0.43 0.00 0.00 2.57 0.00 0.00 54.79 57.03 3hz2 n ASP 33 Cb 0.39 -4.48 0.00 0.00 1.84 0.00 0.00 41.12 38.87 3hz2 n ASP 33 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3hz2 n LYS 34 N -4.28 5.74 -1.69 -1.24 5.02 -1.02 -4.55 118.16 116.14 3hz2 n LYS 34 Ca -0.05 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.81 3hz2 n LYS 34 Cb 0.58 -0.50 -0.03 0.00 -0.02 0.00 0.00 35.03 35.05 3hz2 n LYS 34 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hz2 n ILE 35 N -0.03 0.19 0.00 -0.18 5.41 -1.23 -4.53 119.36 118.99 3hz2 n ILE 35 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3hz2 n ILE 35 Cb 0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.00 3hz2 n ILE 35 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3hz2 n SER 36 N 4.71 2.28 -3.83 4.38 7.64 0.04 -2.93 113.62 125.90 3hz2 n SER 36 Ca 0.18 -0.16 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 3hz2 n SER 36 Cb 0.34 0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 64.23 3hz2 n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hz2 s SER 37 N -1.23 0.00 -0.01 6.43 1.04 -1.18 -0.40 113.70 118.35 3hz2 s SER 37 Ca 0.00 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 3hz2 s SER 37 Cb 0.00 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3hz2 s SER 37 CO 0.00 -0.53 0.15 -0.63 0.98 0.00 0.00 173.24 173.21 3hz2 s ILE 38 N -2.35 0.07 -0.27 -1.02 1.01 -0.37 -1.35 121.20 116.93 3hz2 s ILE 38 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3hz2 s ILE 38 Cb -0.02 -0.42 0.08 0.00 0.01 0.00 0.00 42.46 42.11 3hz2 s ILE 38 CO -0.03 -0.31 0.03 -0.54 0.00 0.00 0.00 174.94 174.09 3hz2 s LYS 39 N -1.15 1.14 -0.60 2.79 1.02 -0.15 -0.09 119.74 122.69 3hz2 s LYS 39 Ca -0.12 -1.05 -0.23 0.00 0.02 0.00 0.00 55.97 54.59 3hz2 s LYS 39 Cb -0.06 -2.40 0.06 0.00 -0.52 0.00 0.00 37.83 34.91 3hz2 s LYS 39 CO 0.02 -0.79 0.92 0.08 -0.92 0.00 0.00 175.35 174.66 3hz2 s VAL 40 N 1.47 4.40 0.10 3.17 1.01 0.20 -1.06 120.40 129.69 3hz2 s VAL 40 Ca 0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 3hz2 s VAL 40 Cb -0.18 -4.59 -0.07 0.00 0.00 0.00 0.00 36.38 31.54 3hz2 s VAL 40 CO -0.13 -1.26 1.48 0.11 0.00 0.00 0.00 175.10 175.30 3hz2 h LYS 41 N 9.41 0.62 -2.25 2.72 1.79 -1.25 -1.98 116.57 125.63 3hz2 h LYS 41 Ca -0.28 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 57.91 3hz2 h LYS 41 Cb 1.07 -0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 31.52 3hz2 h LYS 41 CO 1.12 0.82 0.24 -1.54 -1.08 0.00 0.00 179.45 179.02 3hz2 s SER 42 N -6.26 -0.60 0.00 0.86 1.04 -0.96 -4.86 113.70 102.92 3hz2 s SER 42 Ca -0.13 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.77 3hz2 s SER 42 Cb 0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3hz2 s SER 42 CO 0.79 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.94 3hz2 n GLY 43 N 0.49 -1.35 3.36 7.32 0.00 -1.26 -1.83 105.19 111.92 3hz2 n GLY 43 Ca -0.17 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 3hz2 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hz2 s THR 44 N -1.13 2.79 0.02 2.61 2.01 -1.26 -3.54 115.64 117.13 3hz2 s THR 44 Ca 0.00 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.31 3hz2 s THR 44 Cb 0.00 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3hz2 s THR 44 CO 0.00 0.55 -0.26 0.26 -0.69 0.00 0.00 174.62 174.48 3hz2 s TRP 45 N 0.09 2.29 -0.17 4.92 0.52 -0.48 -1.63 118.94 124.47 3hz2 s TRP 45 Ca -0.07 -0.42 -0.05 0.00 0.02 0.00 0.00 56.10 55.58 3hz2 s TRP 45 Cb -0.15 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 3hz2 s TRP 45 CO 0.05 0.06 -0.01 0.50 0.02 0.00 0.00 176.95 177.57 3hz2 s ARG 46 N -0.97 3.72 -0.16 4.98 3.52 0.55 -0.71 118.95 129.87 3hz2 s ARG 46 Ca 0.11 -0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3hz2 s ARG 46 Cb -0.10 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 3hz2 s ARG 46 CO 0.01 0.19 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.57 3hz2 s PHE 47 N 0.53 2.96 0.11 5.12 0.40 -0.13 -1.49 117.98 125.48 3hz2 s PHE 47 Ca -0.01 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.86 3hz2 s PHE 47 Cb -0.14 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 3hz2 s PHE 47 CO 0.02 -0.18 0.06 0.71 0.70 0.00 0.00 175.22 176.53 3hz2 s TYR 48 N 0.60 3.09 -0.87 0.36 2.02 0.37 -1.22 117.35 121.70 3hz2 s TYR 48 Ca -0.04 0.01 0.27 0.00 -0.37 0.00 0.00 57.07 56.95 3hz2 s TYR 48 Cb -0.15 -1.55 1.00 0.00 -0.40 0.00 0.00 41.96 40.86 3hz2 s TYR 48 CO 0.03 0.51 1.82 -0.85 -1.57 0.00 0.00 175.55 175.49 3hz2 n GLU 49 N 0.30 0.12 -4.30 -0.62 0.28 -0.56 -1.21 120.64 114.65 3hz2 n GLU 49 Ca -0.09 0.09 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 3hz2 n GLU 49 Cb 0.53 -1.64 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 3hz2 n GLU 49 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3hz2 s TYR 50 N -3.05 1.67 0.97 -1.84 4.12 -0.22 -4.10 117.35 114.90 3hz2 s TYR 50 Ca 0.12 -0.51 -0.11 0.00 0.02 0.00 0.00 57.07 56.59 3hz2 s TYR 50 Cb 0.16 -0.84 0.17 0.00 -1.52 0.00 0.00 41.96 39.94 3hz2 s TYR 50 CO 0.57 0.27 1.10 0.96 0.02 0.00 0.00 175.55 178.47 3hz2 s ILE 51 N -2.21 2.30 -1.46 2.71 -0.00 -1.26 -2.41 121.20 118.87 3hz2 s ILE 51 Ca 0.14 0.10 -0.08 0.00 -0.00 0.00 0.00 60.65 60.81 3hz2 s ILE 51 Cb -0.05 -2.27 0.03 0.00 -0.00 0.00 0.00 42.46 40.17 3hz2 s ILE 51 CO 0.05 -0.13 0.90 0.59 -0.00 0.00 0.00 174.94 176.35 3hz2 n ASN 52 N -4.29 -5.81 -3.78 4.36 3.02 -0.11 -2.90 115.26 105.74 3hz2 n ASN 52 Ca 0.08 -0.48 -0.23 0.00 -0.03 0.00 0.00 54.58 53.92 3hz2 n ASN 52 Cb 0.53 -4.64 0.01 0.00 -0.61 0.00 0.00 39.78 35.08 3hz2 n ASN 52 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hz2 n TYR 53 N -4.70 -1.82 -4.14 3.10 4.02 -1.21 -4.99 117.16 107.42 3hz2 n TYR 53 Ca -0.03 0.81 -0.22 0.00 -0.01 0.00 0.00 57.90 58.45 3hz2 n TYR 53 Cb 0.57 -4.18 -0.05 0.00 -0.02 0.00 0.00 39.34 35.66 3hz2 n TYR 53 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3hz2 s GLY 54 N -4.37 1.52 0.00 2.72 0.00 -1.01 -4.98 107.32 101.20 3hz2 s GLY 54 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3hz2 s GLY 54 CO 0.84 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 173.00 3hz2 n GLY 55 N -1.12 -1.02 3.75 0.20 0.00 -1.26 -1.06 105.19 104.69 3hz2 n GLY 55 Ca -0.07 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3hz2 n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hz2 s ARG 56 N 0.00 2.14 0.08 1.61 0.52 -1.26 -4.71 118.95 117.33 3hz2 s ARG 56 Ca 0.00 1.28 -0.05 0.00 -0.52 0.00 0.00 55.73 56.44 3hz2 s ARG 56 Cb 0.00 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 3hz2 s ARG 56 CO 0.00 -1.74 0.10 1.52 0.02 0.00 0.00 175.30 175.19 3hz2 s TYR 57 N -2.76 0.38 -0.02 -0.53 -0.85 -1.26 -1.49 117.35 110.82 3hz2 s TYR 57 Ca 0.63 -0.85 0.01 0.00 -0.52 0.00 0.00 57.07 56.34 3hz2 s TYR 57 Cb -0.19 -0.23 0.02 0.00 0.38 0.00 0.00 41.96 41.94 3hz2 s TYR 57 CO 0.54 -0.49 -0.01 -1.58 -1.52 0.00 0.00 175.55 172.49 3hz2 s TRP 58 N -3.91 0.35 -0.22 -3.49 0.51 -0.36 -4.96 118.94 106.87 3hz2 s TRP 58 Ca 0.08 -0.04 -0.09 0.00 -2.12 0.00 0.00 56.10 53.94 3hz2 s TRP 58 Cb 0.06 -0.37 -0.04 0.00 -0.81 0.00 0.00 33.47 32.31 3hz2 s TRP 58 CO -0.09 -0.10 0.11 -0.51 -0.51 0.00 0.00 176.95 175.85 3hz2 s ASP 59 N 0.68 5.74 -0.11 2.95 1.01 -1.26 -0.95 116.67 124.73 3hz2 s ASP 59 Ca -0.07 0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.26 3hz2 s ASP 59 Cb -0.10 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3hz2 s ASP 59 CO -0.01 0.08 -0.23 -0.76 0.21 0.00 0.00 175.17 174.46 3hz2 s LEU 60 N 0.95 2.08 0.00 1.23 1.43 0.11 -4.97 118.68 119.51 3hz2 s LEU 60 Ca 0.06 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3hz2 s LEU 60 Cb -0.14 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.79 3hz2 s LEU 60 CO 0.03 0.14 0.78 0.61 0.23 0.00 0.00 176.35 178.14 3hz2 n GLY 61 N 3.67 0.73 3.59 -3.19 0.00 -1.26 -1.38 105.19 107.35 3hz2 n GLY 61 Ca -0.19 -2.02 -0.49 0.00 0.00 0.00 0.00 46.02 43.31 3hz2 n GLY 61 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hz2 n PRO 62 N -2.43 1.25 -2.02 1.61 -0.02 -1.23 -4.72 135.00 127.43 3hz2 n PRO 62 Ca 0.13 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3hz2 n PRO 62 Cb 0.46 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3hz2 n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hz2 n GLY 63 N 2.20 -0.82 3.26 -1.23 0.00 -0.74 -4.98 105.19 102.88 3hz2 n GLY 63 Ca 0.16 -1.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 3hz2 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hz2 s GLU 64 N -1.60 1.75 -0.41 1.61 2.02 -1.26 -0.63 118.70 120.18 3hz2 s GLU 64 Ca 0.00 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3hz2 s GLU 64 Cb 0.00 -1.75 0.12 0.00 0.10 0.00 0.00 34.13 32.60 3hz2 s GLU 64 CO 0.00 0.47 0.19 0.71 0.02 0.00 0.00 175.26 176.65 3hz2 s TYR 65 N -0.60 2.28 0.47 1.61 1.51 0.87 -4.96 117.35 118.52 3hz2 s TYR 65 Ca 0.09 -2.43 0.36 0.00 -1.01 0.00 0.00 57.07 54.08 3hz2 s TYR 65 Cb -0.09 -2.09 1.97 0.00 -0.11 0.00 0.00 41.96 41.64 3hz2 s TYR 65 CO -0.00 -0.82 2.11 0.66 -1.11 0.00 0.00 175.55 176.39 3hz2 h SER 66 N 7.12 0.00 -3.17 2.29 4.64 -1.90 -0.97 113.55 121.56 3hz2 h SER 66 Ca -0.05 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.04 3hz2 h SER 66 Cb 0.95 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.72 3hz2 h SER 66 CO 0.51 0.00 -0.55 -0.55 -0.87 0.00 0.00 176.83 175.37 3hz2 s SER 67 N -4.72 0.15 0.52 4.97 0.15 -1.25 -0.55 113.70 112.96 3hz2 s SER 67 Ca -0.04 0.46 0.18 0.00 0.70 0.00 0.00 55.95 57.25 3hz2 s SER 67 Cb 0.10 0.42 1.29 0.00 -1.71 0.00 0.00 66.02 66.13 3hz2 s SER 67 CO 0.33 -0.20 2.12 -0.37 1.20 0.00 0.00 173.24 176.32 3hz2 h VAL 68 N 6.13 0.96 -0.03 4.45 -1.51 -0.91 -1.21 116.25 124.12 3hz2 h VAL 68 Ca -0.28 -0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.20 3hz2 h VAL 68 Cb 1.13 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3hz2 h VAL 68 CO 0.27 0.00 0.03 -0.33 -1.23 0.00 0.00 177.57 176.31 3hz2 h GLU 69 N 0.00 0.00 0.00 5.19 5.08 -1.80 0.47 114.58 123.53 3hz2 h GLU 69 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hz2 h GLU 69 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hz2 h GLU 69 CO -0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3hz2 h SER 70 N 0.00 0.00 -0.69 1.42 4.64 -1.52 -0.02 113.55 117.39 3hz2 h SER 70 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hz2 h SER 70 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hz2 h SER 70 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3hz2 n ALA 71 N -2.08 2.43 -1.03 5.18 0.00 0.16 -4.92 120.51 120.25 3hz2 n ALA 71 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 53.44 52.21 3hz2 n ALA 71 Cb 0.28 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 3hz2 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hz2 n GLY 72 N 1.57 0.47 3.75 0.00 0.00 -0.02 -4.97 105.19 105.99 3hz2 n GLY 72 Ca 0.23 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hz2 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hz2 s ILE 73 N -1.89 5.40 0.48 -0.61 1.01 -0.91 -4.96 121.20 119.73 3hz2 s ILE 73 Ca 0.00 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 3hz2 s ILE 73 Cb 0.00 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 3hz2 s ILE 73 CO 0.00 0.46 1.34 -2.84 0.00 0.00 0.00 174.94 173.90 3hz2 s PRO 74 N 0.18 3.52 0.52 2.79 0.02 -1.26 -2.76 135.00 138.00 3hz2 s PRO 74 Ca 0.10 2.21 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 3hz2 s PRO 74 Cb -0.11 -2.48 -0.06 0.00 0.02 0.00 0.00 34.50 31.87 3hz2 s PRO 74 CO -0.00 -0.88 1.19 0.34 -0.33 0.00 0.00 177.00 177.32 3hz2 s ASP 75 N -0.84 5.76 -1.54 2.53 3.68 -1.26 -3.46 116.67 121.53 3hz2 s ASP 75 Ca 0.65 2.36 -0.12 0.00 2.13 0.00 0.00 52.55 57.56 3hz2 s ASP 75 Cb -0.39 -2.60 0.09 0.00 -1.45 0.00 0.00 42.92 38.56 3hz2 s ASP 75 CO 0.49 -1.20 0.86 0.59 0.13 0.00 0.00 175.17 176.03 3hz2 n ASN 76 N -0.95 -3.67 0.00 -0.34 3.02 -1.15 -4.86 115.26 107.31 3hz2 n ASN 76 Ca 0.10 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3hz2 n ASN 76 Cb 0.49 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 3hz2 n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hz2 n SER 77 N -2.83 1.41 -4.73 6.41 3.41 -1.23 -4.28 113.62 111.78 3hz2 n SER 77 Ca -0.02 -0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 3hz2 n SER 77 Cb 0.55 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 65.08 3hz2 n SER 77 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hz2 s ILE 78 N -0.89 2.82 0.00 -1.33 1.01 -1.26 -4.49 121.20 117.07 3hz2 s ILE 78 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3hz2 s ILE 78 Cb 0.00 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3hz2 s ILE 78 CO 0.00 0.08 0.04 -1.20 0.00 0.00 0.00 174.94 173.86 3hz2 n SER 79 N 3.08 0.08 -3.54 3.58 7.64 -0.35 -1.32 113.62 122.79 3hz2 n SER 79 Ca 0.09 -0.45 -0.09 0.00 1.01 0.00 0.00 58.87 59.44 3hz2 n SER 79 Cb 0.40 0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 64.26 3hz2 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hz2 s SER 80 N -0.69 -0.35 -0.04 6.43 1.04 -1.19 -2.29 113.70 116.61 3hz2 s SER 80 Ca 0.00 0.18 -0.31 0.00 0.48 0.00 0.00 55.95 56.31 3hz2 s SER 80 Cb 0.00 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.52 3hz2 s SER 80 CO 0.00 -0.46 0.67 0.72 0.98 0.00 0.00 173.24 175.15 3hz2 s PHE 81 N -2.15 -0.65 0.18 5.02 -0.12 -0.11 -0.48 117.98 119.67 3hz2 s PHE 81 Ca 0.02 1.09 -0.14 0.00 -0.05 0.00 0.00 56.93 57.85 3hz2 s PHE 81 Cb -0.01 0.41 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 3hz2 s PHE 81 CO -0.04 -0.62 0.42 -0.98 -0.05 0.00 0.00 175.22 173.95 3hz2 s ARG 82 N -1.30 1.26 0.49 1.99 1.70 -0.55 -0.09 118.95 122.45 3hz2 s ARG 82 Ca -0.11 -0.96 -0.20 0.00 -0.47 0.00 0.00 55.73 53.99 3hz2 s ARG 82 Cb -0.00 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 3hz2 s ARG 82 CO 0.09 -0.51 1.02 -0.65 -1.08 0.00 0.00 175.30 174.18 3hz2 s GLN 83 N -3.90 3.84 0.00 3.89 -0.21 -1.26 -0.33 119.66 121.69 3hz2 s GLN 83 Ca 0.11 1.30 0.00 0.00 0.02 0.00 0.00 55.36 56.79 3hz2 s GLN 83 Cb 0.01 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.91 3hz2 s GLN 83 CO -0.03 -0.39 0.00 0.44 -2.12 0.00 0.00 175.29 173.20