#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 -2.64 -1.62 5.41 0.00 -1.26 -4.92 120.51 115.48 3hz2 n ALA 2 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 3hz2 n ALA 2 Cb 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.70 0.24 -3.61 0.00 0.00 -1.26 -4.78 120.51 111.79 3hz2 n ALA 3 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3hz2 n ALA 3 Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 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 -1.84 0.80 -0.06 0.00 2.12 -0.81 -4.54 118.70 114.36 3hz2 s GLU 4 Ca 0.60 0.99 -0.07 0.00 0.36 0.00 0.00 54.97 56.86 3hz2 s GLU 4 Cb -0.60 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.17 3hz2 s GLU 4 CO 0.59 -0.10 0.18 0.54 -0.54 0.00 0.00 175.26 175.92 3hz2 s VAL 5 N 0.51 0.01 -0.15 3.70 0.11 -0.22 -1.29 120.40 123.07 3hz2 s VAL 5 Ca -0.01 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 3hz2 s VAL 5 Cb -0.05 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3hz2 s VAL 5 CO -0.01 -0.07 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.89 3hz2 s ILE 6 N -0.17 2.49 0.00 7.04 1.01 -0.27 -0.23 121.20 131.06 3hz2 s ILE 6 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3hz2 s ILE 6 Cb -0.02 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3hz2 s ILE 6 CO 0.01 0.53 0.03 0.68 0.00 0.00 0.00 174.94 176.18 3hz2 s VAL 7 N 0.81 4.35 0.05 2.92 -7.23 -0.74 -0.92 120.40 119.63 3hz2 s VAL 7 Ca -0.06 -0.56 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 3hz2 s VAL 7 Cb -0.15 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 3hz2 s VAL 7 CO -0.00 0.35 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.66 3hz2 s TYR 8 N -1.14 1.44 0.12 2.82 1.51 -0.33 -1.71 117.35 120.05 3hz2 s TYR 8 Ca 0.21 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.74 3hz2 s TYR 8 Cb -0.12 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 3hz2 s TYR 8 CO 0.12 0.06 1.61 1.49 -1.11 0.00 0.00 175.55 177.73 3hz2 h GLU 9 N 4.83 0.56 -6.17 -0.62 4.81 -0.33 0.28 114.58 117.94 3hz2 h GLU 9 Ca -0.40 -0.13 -0.51 0.00 -0.13 0.00 0.00 59.36 58.18 3hz2 h GLU 9 Cb 1.17 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 3hz2 h GLU 9 CO 0.43 0.61 -0.48 -1.01 -0.73 0.00 0.00 179.01 177.83 3hz2 s HIS 10 N -5.29 2.86 0.83 0.92 3.76 0.95 -3.52 115.29 115.81 3hz2 s HIS 10 Ca -0.13 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.37 3hz2 s HIS 10 Cb 0.09 -1.71 0.10 0.00 1.11 0.00 0.00 32.58 32.17 3hz2 s HIS 10 CO 0.76 0.27 1.11 0.14 -0.85 0.00 0.00 174.74 176.17 3hz2 s VAL 11 N -2.32 2.78 -1.50 -0.90 -7.23 -1.26 -2.63 120.40 107.33 3hz2 s VAL 11 Ca 0.39 0.25 -0.03 0.00 -1.81 0.00 0.00 61.98 60.79 3hz2 s VAL 11 Cb -0.05 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3hz2 s VAL 11 CO 0.25 -0.33 0.34 0.59 -0.31 0.00 0.00 175.10 175.64 3hz2 n ASN 12 N -3.83 -5.66 -3.68 4.85 5.03 0.05 -3.18 115.26 108.84 3hz2 n ASN 12 Ca 0.10 -0.17 -0.25 0.00 0.87 0.00 0.00 54.58 55.13 3hz2 n ASN 12 Cb 0.53 -4.57 0.07 0.00 -1.02 0.00 0.00 39.78 34.79 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 -4.26 -2.75 -3.33 3.10 3.01 -1.19 -5.00 117.46 107.04 3hz2 n PHE 13 Ca -0.15 0.99 -0.20 0.00 1.01 0.00 0.00 57.45 59.10 3hz2 n PHE 13 Cb 0.63 -4.79 0.01 0.00 -0.01 0.00 0.00 39.48 35.32 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 -3.32 2.02 0.00 1.37 0.00 -1.08 -4.93 107.32 101.38 3hz2 s GLY 14 Ca 0.60 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3hz2 s GLY 14 CO 0.75 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.79 3hz2 n GLY 15 N -1.83 -0.20 3.77 0.20 0.00 -1.26 -0.03 105.19 105.84 3hz2 n GLY 15 Ca 0.07 -1.03 -0.40 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 4.11 0.11 1.61 2.47 -1.26 -4.66 119.74 122.11 3hz2 s LYS 16 Ca 0.00 2.38 0.03 0.00 -1.56 0.00 0.00 55.97 56.82 3hz2 s LYS 16 Cb 0.00 -2.93 -0.04 0.00 -1.46 0.00 0.00 37.83 33.40 3hz2 s LYS 16 CO 0.00 -0.46 -0.08 -1.54 0.16 0.00 0.00 175.35 173.43 3hz2 s SER 17 N -0.38 1.36 -0.06 1.43 1.04 -1.26 -0.20 113.70 115.63 3hz2 s SER 17 Ca 0.53 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 3hz2 s SER 17 Cb -0.43 0.05 0.04 0.00 0.10 0.00 0.00 66.02 65.78 3hz2 s SER 17 CO 0.57 -0.39 0.12 0.12 0.98 0.00 0.00 173.24 174.64 3hz2 s PHE 18 N -3.33 -0.11 -0.42 5.02 5.36 -0.69 -4.99 117.98 118.81 3hz2 s PHE 18 Ca 0.12 0.45 -0.18 0.00 -0.96 0.00 0.00 56.93 56.37 3hz2 s PHE 18 Cb 0.03 -0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.49 3hz2 s PHE 18 CO -0.02 -0.21 0.47 0.34 -1.46 0.00 0.00 175.22 174.34 3hz2 s ASP 19 N 1.80 6.21 -0.13 6.13 2.15 -1.26 -1.80 116.67 129.77 3hz2 s ASP 19 Ca -0.02 -0.63 -0.05 0.00 0.43 0.00 0.00 52.55 52.29 3hz2 s ASP 19 Cb -0.12 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 3hz2 s ASP 19 CO -0.05 -0.61 0.04 0.00 -0.17 0.00 0.00 175.17 174.38 3hz2 s ALA 20 N 2.24 3.41 0.00 3.66 0.00 0.67 -4.94 121.76 126.80 3hz2 s ALA 20 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3hz2 s ALA 20 Cb -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.22 3hz2 s ALA 20 CO 0.14 0.40 0.43 0.25 0.00 0.00 0.00 175.76 176.99 3hz2 n THR 21 N 2.78 0.07 -4.17 0.00 -2.24 -1.26 -1.06 114.28 108.40 3hz2 n THR 21 Ca -0.18 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 3hz2 n THR 21 Cb 0.53 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.07 0.64 0.49 3.42 1.04 -1.26 -4.84 113.70 113.13 3hz2 s SER 22 Ca 0.00 -1.17 -0.23 0.00 0.48 0.00 0.00 55.95 55.03 3hz2 s SER 22 Cb 0.00 0.22 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 3hz2 s SER 22 CO 0.00 -0.66 1.34 -1.81 0.98 0.00 0.00 173.24 173.10 3hz2 s ASP 23 N -3.07 5.66 -0.40 7.02 1.01 -1.26 -4.94 116.67 120.68 3hz2 s ASP 23 Ca 0.22 2.73 0.03 0.00 0.71 0.00 0.00 52.55 56.23 3hz2 s ASP 23 Cb 0.07 -2.64 0.12 0.00 1.01 0.00 0.00 42.92 41.48 3hz2 s ASP 23 CO 0.01 -1.30 0.16 -1.10 0.21 0.00 0.00 175.17 173.14 3hz2 s GLN 24 N -2.69 1.42 0.00 8.23 -1.52 0.95 -4.96 119.66 121.09 3hz2 s GLN 24 Ca 0.66 -1.95 0.14 0.00 -1.95 0.00 0.00 55.36 52.27 3hz2 s GLN 24 Cb -0.39 -2.81 0.74 0.00 -0.22 0.00 0.00 33.01 30.33 3hz2 s GLN 24 CO 0.48 -1.04 1.38 -0.35 -0.25 0.00 0.00 175.29 175.51 3hz2 n PRO 25 N 3.90 0.23 -0.04 2.91 -0.04 -1.26 -0.73 135.00 139.97 3hz2 n PRO 25 Ca 0.04 0.14 0.01 0.00 -0.04 0.00 0.00 63.50 63.65 3hz2 n PRO 25 Cb 0.38 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.06 0.92 2.26 0.55 0.00 -1.25 -0.83 105.19 106.78 3hz2 n GLY 26 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 0.00 4.61 0.00 -1.00 -4.24 120.51 119.34 3hz2 n ALA 27 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3hz2 n ALA 27 Cb 0.40 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.65 -1.88 3.51 0.00 0.00 -1.26 -4.43 105.19 99.48 3hz2 n GLY 28 Ca -0.10 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.00 6.26 -1.65 1.61 1.01 -1.26 -4.40 116.67 114.24 3hz2 s ASP 29 Ca 0.00 -0.45 -0.00 0.00 0.71 0.00 0.00 52.55 52.81 3hz2 s ASP 29 Cb 0.00 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.66 3hz2 s ASP 29 CO 0.00 -0.64 0.01 0.59 0.21 0.00 0.00 175.17 175.34 3hz2 n ASN 30 N 5.88 -5.57 -0.20 0.27 4.13 -1.26 -4.87 115.26 113.64 3hz2 n ASN 30 Ca -0.05 0.02 0.02 0.00 1.68 0.00 0.00 54.58 56.25 3hz2 n ASN 30 Cb 0.48 -4.65 0.04 0.00 -1.54 0.00 0.00 39.78 34.11 3hz2 n ASN 30 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3hz2 n LEU 31 N -3.00 2.12 -4.73 3.41 4.77 -1.26 -4.96 117.00 113.35 3hz2 n LEU 31 Ca -0.23 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.52 3hz2 n LEU 31 Cb 0.67 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3hz2 n LEU 31 CO 0.27 0.52 1.21 0.21 -1.33 0.00 0.00 177.39 178.28 3hz2 s ASN 32 N -0.87 6.55 -1.48 -1.43 2.47 -1.26 -2.34 114.94 116.57 3hz2 s ASN 32 Ca 0.07 2.71 -0.07 0.00 0.42 0.00 0.00 52.86 55.99 3hz2 s ASN 32 Cb 0.04 -2.61 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 3hz2 s ASN 32 CO 0.05 -0.82 0.71 0.47 -3.72 0.00 0.00 177.10 173.78 3hz2 n ASP 33 N 3.24 -5.67 0.00 -4.21 8.00 -0.44 -4.84 116.55 112.64 3hz2 n ASP 33 Ca 0.11 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3hz2 n ASP 33 Cb 0.38 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 36.92 3hz2 n ASP 33 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hz2 n LYS 34 N -4.19 5.27 -1.69 -1.24 5.02 -0.99 -4.54 118.16 115.81 3hz2 n LYS 34 Ca -0.07 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.79 3hz2 n LYS 34 Cb 0.59 -0.54 -0.03 0.00 -0.02 0.00 0.00 35.03 35.03 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 -0.15 0.29 0.00 -0.18 5.41 -1.23 -4.52 119.36 118.97 3hz2 n ILE 35 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3hz2 n ILE 35 Cb 0.00 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 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 5.18 2.38 -3.88 4.38 7.64 0.08 -3.02 113.62 126.38 3hz2 n SER 36 Ca 0.18 -0.15 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 3hz2 n SER 36 Cb 0.35 0.78 -0.09 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 -1.25 0.08 -0.02 6.43 1.04 -1.17 -0.58 113.70 118.23 3hz2 s SER 37 Ca 0.00 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 3hz2 s SER 37 Cb 0.00 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3hz2 s SER 37 CO 0.00 -0.51 0.22 -0.63 0.98 0.00 0.00 173.24 173.29 3hz2 s ILE 38 N -2.39 0.06 -0.25 -1.02 1.01 -0.54 -1.18 121.20 116.89 3hz2 s ILE 38 Ca -0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 3hz2 s ILE 38 Cb -0.02 -0.49 0.07 0.00 0.01 0.00 0.00 42.46 42.03 3hz2 s ILE 38 CO -0.03 -0.28 0.01 -0.54 0.00 0.00 0.00 174.94 174.10 3hz2 s LYS 39 N -1.16 1.12 -0.58 2.79 1.02 -0.10 -0.20 119.74 122.64 3hz2 s LYS 39 Ca -0.12 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 54.75 3hz2 s LYS 39 Cb -0.06 -2.35 0.06 0.00 -0.52 0.00 0.00 37.83 34.96 3hz2 s LYS 39 CO 0.02 -0.72 0.85 0.08 -0.92 0.00 0.00 175.35 174.67 3hz2 s VAL 40 N 1.55 4.52 0.15 3.17 1.01 0.36 -1.12 120.40 130.03 3hz2 s VAL 40 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 3hz2 s VAL 40 Cb -0.18 -4.52 -0.11 0.00 0.00 0.00 0.00 36.38 31.57 3hz2 s VAL 40 CO -0.11 -1.15 1.41 0.11 0.00 0.00 0.00 175.10 175.35 3hz2 h LYS 41 N 9.31 0.65 -2.05 2.72 1.79 -1.45 -1.60 116.57 125.93 3hz2 h LYS 41 Ca -0.28 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 57.70 3hz2 h LYS 41 Cb 1.08 0.08 -0.19 0.00 -1.58 0.00 0.00 32.23 31.62 3hz2 h LYS 41 CO 1.09 1.10 0.29 -1.54 -1.08 0.00 0.00 179.45 179.31 3hz2 s SER 42 N -7.00 -0.57 0.00 0.86 1.04 -0.97 -4.87 113.70 102.19 3hz2 s SER 42 Ca -0.08 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3hz2 s SER 42 Cb 0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3hz2 s SER 42 CO 0.87 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 175.10 3hz2 n GLY 43 N 0.63 -1.40 3.38 7.32 0.00 -1.26 -1.93 105.19 111.94 3hz2 n GLY 43 Ca -0.16 -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 -1.21 3.05 0.01 2.61 2.01 -1.26 -3.55 115.64 117.30 3hz2 s THR 44 Ca 0.00 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.41 3hz2 s THR 44 Cb 0.00 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 3hz2 s THR 44 CO 0.00 0.53 -0.26 0.26 -0.69 0.00 0.00 174.62 174.46 3hz2 s TRP 45 N 0.20 2.30 -0.17 4.92 0.52 -0.38 -1.67 118.94 124.67 3hz2 s TRP 45 Ca -0.08 -0.43 -0.04 0.00 0.02 0.00 0.00 56.10 55.57 3hz2 s TRP 45 Cb -0.15 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 3hz2 s TRP 45 CO 0.05 0.03 -0.03 0.50 0.02 0.00 0.00 176.95 177.52 3hz2 s ARG 46 N -0.88 3.66 -0.13 4.98 3.52 0.13 -0.50 118.95 129.73 3hz2 s ARG 46 Ca 0.11 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3hz2 s ARG 46 Cb -0.10 -2.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 3hz2 s ARG 46 CO 0.00 0.18 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.55 3hz2 s PHE 47 N 0.53 2.96 0.11 5.12 0.40 -0.17 -1.45 117.98 125.48 3hz2 s PHE 47 Ca -0.03 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 3hz2 s PHE 47 Cb -0.14 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 3hz2 s PHE 47 CO 0.03 -0.00 0.01 0.71 0.70 0.00 0.00 175.22 176.66 3hz2 s TYR 48 N 0.13 2.96 -0.76 0.36 2.02 0.71 -1.27 117.35 121.49 3hz2 s TYR 48 Ca -0.03 -0.05 0.26 0.00 -0.37 0.00 0.00 57.07 56.88 3hz2 s TYR 48 Cb -0.14 -1.50 0.85 0.00 -0.40 0.00 0.00 41.96 40.77 3hz2 s TYR 48 CO 0.03 0.49 1.78 -0.85 -1.57 0.00 0.00 175.55 175.43 3hz2 n GLU 49 N 0.36 0.23 -4.35 -0.62 0.28 -0.45 -1.02 120.64 115.08 3hz2 n GLU 49 Ca -0.10 0.18 -0.21 0.00 -0.16 0.00 0.00 57.16 56.87 3hz2 n GLU 49 Cb 0.53 -1.76 -0.11 0.00 1.43 0.00 0.00 31.44 31.53 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 -3.09 1.82 0.92 -1.84 4.12 -0.10 -4.05 117.35 115.12 3hz2 s TYR 50 Ca 0.11 -0.49 -0.11 0.00 0.02 0.00 0.00 57.07 56.60 3hz2 s TYR 50 Cb 0.13 -0.88 0.14 0.00 -1.52 0.00 0.00 41.96 39.84 3hz2 s TYR 50 CO 0.59 0.37 1.11 0.96 0.02 0.00 0.00 175.55 178.60 3hz2 s ILE 51 N -2.36 2.41 -1.45 2.71 -4.36 -1.26 -2.40 121.20 114.49 3hz2 s ILE 51 Ca 0.19 0.13 -0.09 0.00 -0.26 0.00 0.00 60.65 60.62 3hz2 s ILE 51 Cb -0.04 -2.32 0.03 0.00 1.25 0.00 0.00 42.46 41.38 3hz2 s ILE 51 CO 0.07 -0.17 0.93 0.59 0.24 0.00 0.00 174.94 176.60 3hz2 n ASN 52 N -4.13 -5.73 -3.74 4.36 3.02 -0.01 -2.79 115.26 106.22 3hz2 n ASN 52 Ca 0.09 -0.52 -0.24 0.00 -0.03 0.00 0.00 54.58 53.89 3hz2 n ASN 52 Cb 0.53 -4.57 0.04 0.00 -0.61 0.00 0.00 39.78 35.16 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 -4.72 -2.09 -3.97 3.10 4.02 -1.21 -4.99 117.16 107.30 3hz2 n TYR 53 Ca -0.02 0.87 -0.21 0.00 -0.01 0.00 0.00 57.90 58.53 3hz2 n TYR 53 Cb 0.57 -4.35 -0.04 0.00 -0.02 0.00 0.00 39.34 35.50 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 -4.01 1.49 0.00 2.72 0.00 -1.01 -4.97 107.32 101.55 3hz2 s GLY 54 Ca 0.22 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3hz2 s GLY 54 CO 0.81 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 173.06 3hz2 n GLY 55 N -1.29 -1.03 3.76 0.20 0.00 -1.26 -0.92 105.19 104.64 3hz2 n GLY 55 Ca -0.06 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 2.32 0.10 1.61 0.52 -1.26 -4.71 118.95 117.53 3hz2 s ARG 56 Ca 0.00 1.31 -0.03 0.00 -0.52 0.00 0.00 55.73 56.49 3hz2 s ARG 56 Cb 0.00 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 3hz2 s ARG 56 CO 0.00 -1.62 0.08 1.52 0.02 0.00 0.00 175.30 175.30 3hz2 s TYR 57 N -2.64 0.57 -0.01 -0.53 -0.85 -1.26 -1.34 117.35 111.29 3hz2 s TYR 57 Ca 0.64 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 3hz2 s TYR 57 Cb -0.19 -0.32 0.02 0.00 0.38 0.00 0.00 41.96 41.84 3hz2 s TYR 57 CO 0.51 -0.50 0.01 -1.58 -1.52 0.00 0.00 175.55 172.46 3hz2 s TRP 58 N -3.96 0.07 -0.24 -3.49 0.51 -0.40 -4.96 118.94 106.47 3hz2 s TRP 58 Ca 0.14 0.06 -0.08 0.00 -2.12 0.00 0.00 56.10 54.10 3hz2 s TRP 58 Cb 0.07 -0.17 -0.04 0.00 -0.81 0.00 0.00 33.47 32.51 3hz2 s TRP 58 CO -0.04 -0.06 0.10 -0.51 -0.51 0.00 0.00 176.95 175.93 3hz2 s ASP 59 N 0.62 5.54 -0.12 2.95 1.01 -1.26 -1.00 116.67 124.41 3hz2 s ASP 59 Ca -0.05 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.16 3hz2 s ASP 59 Cb -0.08 -1.99 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 3hz2 s ASP 59 CO -0.02 0.03 -0.18 -0.76 0.21 0.00 0.00 175.17 174.45 3hz2 s LEU 60 N 1.27 2.45 0.00 1.23 1.43 0.34 -4.97 118.68 120.43 3hz2 s LEU 60 Ca 0.06 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3hz2 s LEU 60 Cb -0.14 -1.53 0.11 0.00 0.03 0.00 0.00 46.19 44.66 3hz2 s LEU 60 CO 0.05 0.16 0.79 0.61 0.23 0.00 0.00 176.35 178.18 3hz2 n GLY 61 N 3.55 0.98 3.59 -3.19 0.00 -1.26 -1.25 105.19 107.61 3hz2 n GLY 61 Ca -0.19 -2.06 -0.50 0.00 0.00 0.00 0.00 46.02 43.27 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 -2.41 1.21 -1.95 1.61 -0.02 -1.23 -4.70 135.00 127.51 3hz2 n PRO 62 Ca 0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hz2 n PRO 62 Cb 0.49 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.33 -0.83 3.29 -1.23 0.00 -0.60 -4.97 105.19 103.17 3hz2 n GLY 63 Ca 0.17 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.54 1.80 -0.39 1.61 2.02 -1.26 -0.49 118.70 120.45 3hz2 s GLU 64 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.05 3hz2 s GLU 64 Cb 0.00 -1.84 0.12 0.00 0.10 0.00 0.00 34.13 32.51 3hz2 s GLU 64 CO 0.00 0.49 0.17 0.71 0.02 0.00 0.00 175.26 176.65 3hz2 s TYR 65 N -0.68 2.11 0.41 1.61 1.51 0.72 -4.97 117.35 118.06 3hz2 s TYR 65 Ca 0.10 -2.27 0.33 0.00 -1.01 0.00 0.00 57.07 54.22 3hz2 s TYR 65 Cb -0.09 -1.96 1.81 0.00 -0.11 0.00 0.00 41.96 41.60 3hz2 s TYR 65 CO 0.01 -0.83 2.01 0.66 -1.11 0.00 0.00 175.55 176.28 3hz2 h SER 66 N 7.30 0.00 -3.19 2.29 4.64 -1.90 -1.42 113.55 121.26 3hz2 h SER 66 Ca -0.06 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 3hz2 h SER 66 Cb 0.97 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.75 3hz2 h SER 66 CO 0.49 0.00 -0.48 -0.55 -0.87 0.00 0.00 176.83 175.41 3hz2 s SER 67 N -4.57 -0.10 0.54 4.97 0.15 -1.25 -0.77 113.70 112.67 3hz2 s SER 67 Ca -0.04 0.58 0.21 0.00 0.70 0.00 0.00 55.95 57.40 3hz2 s SER 67 Cb 0.10 0.53 1.45 0.00 -1.71 0.00 0.00 66.02 66.38 3hz2 s SER 67 CO 0.30 -0.19 2.18 -0.37 1.20 0.00 0.00 173.24 176.36 3hz2 h VAL 68 N 5.98 0.84 0.00 4.45 -1.51 -1.03 -1.36 116.25 123.62 3hz2 h VAL 68 Ca -0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 3hz2 h VAL 68 Cb 1.14 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3hz2 h VAL 68 CO 0.30 0.00 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.26 3hz2 h GLU 69 N 0.00 0.00 0.00 5.19 5.08 -1.79 0.35 114.58 123.41 3hz2 h GLU 69 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hz2 h GLU 69 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hz2 h GLU 69 CO -0.00 0.05 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 3hz2 h SER 70 N 0.00 0.00 -0.60 1.42 4.64 -1.54 0.16 113.55 117.62 3hz2 h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hz2 h SER 70 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hz2 h SER 70 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3hz2 n ALA 71 N -2.04 2.40 -1.02 5.18 0.00 0.12 -4.92 120.51 120.22 3hz2 n ALA 71 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 53.44 52.29 3hz2 n ALA 71 Cb 0.25 -0.93 -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 0.55 -4.98 105.19 106.55 3hz2 n GLY 72 Ca 0.22 -0.20 -0.36 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 5.36 0.50 -0.61 1.01 -0.77 -4.95 121.20 119.85 3hz2 s ILE 73 Ca 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 3hz2 s ILE 73 Cb 0.00 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 3hz2 s ILE 73 CO 0.00 0.44 1.35 -2.84 0.00 0.00 0.00 174.94 173.89 3hz2 s PRO 74 N 0.19 3.43 0.51 2.79 0.02 -1.26 -2.70 135.00 137.98 3hz2 s PRO 74 Ca 0.13 2.22 -0.21 0.00 0.02 0.00 0.00 61.00 63.15 3hz2 s PRO 74 Cb -0.12 -2.42 -0.06 0.00 0.02 0.00 0.00 34.50 31.91 3hz2 s PRO 74 CO 0.02 -0.95 1.17 0.34 -0.33 0.00 0.00 177.00 177.25 3hz2 s ASP 75 N -0.87 5.86 -1.55 2.53 2.15 -1.26 -3.47 116.67 120.06 3hz2 s ASP 75 Ca 0.66 2.30 -0.12 0.00 0.43 0.00 0.00 52.55 55.83 3hz2 s ASP 75 Cb -0.40 -2.60 0.09 0.00 -0.30 0.00 0.00 42.92 39.72 3hz2 s ASP 75 CO 0.48 -1.13 0.77 0.59 -0.17 0.00 0.00 175.17 175.72 3hz2 n ASN 76 N -0.90 -3.03 0.00 -0.34 3.02 -1.17 -4.86 115.26 107.98 3hz2 n ASN 76 Ca 0.10 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3hz2 n ASN 76 Cb 0.49 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 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 -2.82 1.48 -4.73 6.41 3.41 -1.23 -4.30 113.62 111.85 3hz2 n SER 77 Ca -0.05 -0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 3hz2 n SER 77 Cb 0.56 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 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 -0.93 2.87 0.00 -1.33 1.01 -1.26 -4.48 121.20 117.07 3hz2 s ILE 78 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3hz2 s ILE 78 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3hz2 s ILE 78 CO 0.00 0.09 0.02 -1.20 0.00 0.00 0.00 174.94 173.85 3hz2 n SER 79 N 2.89 0.04 -3.55 3.58 7.64 -0.19 -1.32 113.62 122.71 3hz2 n SER 79 Ca 0.08 -0.41 -0.09 0.00 1.01 0.00 0.00 58.87 59.46 3hz2 n SER 79 Cb 0.41 0.70 -0.04 0.00 -1.01 0.00 0.00 64.21 64.27 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 -0.70 -0.35 -0.05 6.43 1.04 -1.19 -2.45 113.70 116.43 3hz2 s SER 80 Ca 0.00 0.23 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 3hz2 s SER 80 Cb 0.00 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.50 3hz2 s SER 80 CO 0.00 -0.43 0.61 0.72 0.98 0.00 0.00 173.24 175.12 3hz2 s PHE 81 N -1.93 -0.57 0.16 5.02 -0.12 0.09 -0.21 117.98 120.43 3hz2 s PHE 81 Ca 0.02 1.00 -0.12 0.00 -0.05 0.00 0.00 56.93 57.78 3hz2 s PHE 81 Cb -0.01 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 3hz2 s PHE 81 CO -0.03 -0.55 0.35 -0.98 -0.05 0.00 0.00 175.22 173.96 3hz2 s ARG 82 N -1.13 1.18 0.47 1.99 1.70 -0.53 -0.03 118.95 122.61 3hz2 s ARG 82 Ca -0.11 -1.04 -0.20 0.00 -0.47 0.00 0.00 55.73 53.90 3hz2 s ARG 82 Cb -0.01 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 3hz2 s ARG 82 CO 0.08 -0.45 1.02 -0.65 -1.08 0.00 0.00 175.30 174.22 3hz2 s GLN 83 N -3.92 3.89 0.00 3.89 -0.21 -1.26 -0.69 119.66 121.36 3hz2 s GLN 83 Ca 0.13 1.31 0.00 0.00 0.02 0.00 0.00 55.36 56.82 3hz2 s GLN 83 Cb 0.02 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.92 3hz2 s GLN 83 CO -0.03 -0.35 0.00 0.44 -2.12 0.00 0.00 175.29 173.24