#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3h s SER 2 N 0.00 -0.21 0.09 1.61 0.01 -1.26 -5.19 113.70 108.75 1x3h s SER 2 Ca 0.00 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.89 1x3h s SER 2 Cb 0.00 0.31 0.09 0.00 0.21 0.00 0.00 66.02 66.62 1x3h s SER 2 CO 0.00 -0.53 1.13 -0.55 0.41 0.00 0.00 173.24 173.71 1x3h s SER 3 N -2.59 -0.05 -0.14 2.44 0.15 -1.26 -5.19 113.70 107.06 1x3h s SER 3 Ca 0.09 -0.40 -0.34 0.00 0.70 0.00 0.00 55.95 56.01 1x3h s SER 3 Cb -0.00 0.35 0.14 0.00 -1.71 0.00 0.00 66.02 64.79 1x3h s SER 3 CO -0.05 -0.67 1.30 -0.83 1.20 0.00 0.00 173.24 174.20 1x3h s GLY 4 N -3.29 -0.35 -0.10 9.45 0.00 -1.26 -5.18 107.32 106.59 1x3h s GLY 4 Ca 0.20 1.28 -0.18 0.00 0.00 0.00 0.00 44.72 46.01 1x3h s GLY 4 CO 0.01 0.37 0.45 -0.56 0.00 0.00 0.00 173.10 173.37 1x3h s SER 5 N -2.53 -0.42 -0.28 1.64 0.01 -1.26 -5.16 113.70 105.70 1x3h s SER 5 Ca 0.12 0.63 -0.19 0.00 1.31 0.00 0.00 55.95 57.82 1x3h s SER 5 Cb 0.02 0.68 0.10 0.00 0.21 0.00 0.00 66.02 67.03 1x3h s SER 5 CO -0.04 -0.32 0.81 -0.94 0.41 0.00 0.00 173.24 173.15 1x3h s SER 6 N -0.49 -0.74 0.00 2.44 1.04 -1.26 -5.13 113.70 109.56 1x3h s SER 6 Ca -0.06 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1x3h s SER 6 Cb -0.03 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.38 1x3h s SER 6 CO 0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x3h n GLY 7 N 3.63 2.67 2.99 7.32 0.00 -1.26 -5.17 105.19 115.36 1x3h n GLY 7 Ca -0.18 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1x3h n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x3h s LYS 8 N -0.56 0.14 -0.14 1.61 2.47 -1.26 -5.15 119.74 116.85 1x3h s LYS 8 Ca 0.00 0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.62 1x3h s LYS 8 Cb 0.00 -0.05 0.04 0.00 -1.46 0.00 0.00 37.83 36.36 1x3h s LYS 8 CO 0.00 -0.10 0.36 -0.51 0.16 0.00 0.00 175.35 175.26 1x3h s ASP 9 N 0.70 -0.41 0.01 1.43 1.01 -1.26 -5.17 116.67 112.98 1x3h s ASP 9 Ca -0.05 0.75 -0.28 0.00 0.71 0.00 0.00 52.55 53.68 1x3h s ASP 9 Cb -0.07 0.71 0.10 0.00 1.01 0.00 0.00 42.92 44.68 1x3h s ASP 9 CO -0.04 -0.15 0.87 0.12 0.21 0.00 0.00 175.17 176.18 1x3h s PHE 10 N 0.65 -0.36 -1.36 4.23 5.36 -1.26 -4.99 117.98 120.25 1x3h s PHE 10 Ca -0.04 0.23 -0.16 0.00 -0.96 0.00 0.00 56.93 56.01 1x3h s PHE 10 Cb -0.05 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 1x3h s PHE 10 CO -0.04 -0.57 0.39 1.28 -1.46 0.00 0.00 175.22 174.83 1x3h n LEU 11 N -0.24 -1.01 -0.07 6.12 4.77 -1.26 -4.89 117.00 120.42 1x3h n LEU 11 Ca -0.09 -1.23 -0.06 0.00 -0.03 0.00 0.00 56.01 54.60 1x3h n LEU 11 Cb 0.62 -1.76 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1x3h n LEU 11 CO 0.11 0.60 -0.42 0.00 -1.33 0.00 0.00 177.39 176.35 1x3h n ALA 12 N -4.72 0.55 -2.54 -1.18 0.00 -1.26 -5.03 120.51 106.33 1x3h n ALA 12 Ca -0.22 -0.52 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 1x3h n ALA 12 Cb 0.63 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 1x3h n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x3h s MET 13 N -2.35 2.01 -0.30 0.00 -1.94 -1.26 -5.14 119.30 110.33 1x3h s MET 13 Ca -0.18 -1.89 -0.00 0.00 -1.71 0.00 0.00 55.69 51.91 1x3h s MET 13 Cb 0.02 -1.82 0.19 0.00 2.01 0.00 0.00 34.83 35.23 1x3h s MET 13 CO 0.27 0.06 0.59 0.12 -0.01 0.00 0.00 175.02 176.04 1x3h s PHE 14 N -2.59 -1.60 0.02 -0.03 2.19 -1.26 -5.16 117.98 109.55 1x3h s PHE 14 Ca 0.35 1.59 -0.15 0.00 0.33 0.00 0.00 56.93 59.05 1x3h s PHE 14 Cb 0.03 0.51 0.02 0.00 -1.31 0.00 0.00 43.02 42.27 1x3h s PHE 14 CO 0.19 -0.90 0.33 -1.12 1.83 0.00 0.00 175.22 175.55 1x3h s SER 15 N 2.84 -0.18 0.86 6.13 0.01 -1.26 -5.17 113.70 116.93 1x3h s SER 15 Ca 0.19 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.27 1x3h s SER 15 Cb -0.14 0.36 0.11 0.00 0.21 0.00 0.00 66.02 66.55 1x3h s SER 15 CO -0.21 -0.57 1.09 -2.16 0.41 0.00 0.00 173.24 171.79 1x3h s PRO 16 N -2.16 1.54 0.15 12.44 0.04 -1.26 -4.98 135.00 140.77 1x3h s PRO 16 Ca -0.08 0.92 0.04 0.00 0.04 0.00 0.00 61.00 61.92 1x3h s PRO 16 Cb -0.02 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1x3h s PRO 16 CO -0.01 -2.07 -0.07 0.15 0.04 0.00 0.00 177.00 175.04 1x3h s LYS 17 N -4.93 1.07 0.44 4.56 1.02 -1.26 -3.40 119.74 117.24 1x3h s LYS 17 Ca 0.63 -1.47 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 1x3h s LYS 17 Cb -0.18 -0.52 -0.08 0.00 -0.52 0.00 0.00 37.83 36.53 1x3h s LYS 17 CO 0.57 0.02 1.38 0.00 -0.92 0.00 0.00 175.35 176.40 1x3h n GLY 19 N 0.61 2.42 0.88 0.00 0.00 -1.10 -1.77 105.19 106.24 1x3h n GLY 19 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1x3h n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3h n GLY 20 N 0.88 -0.06 0.41 -0.02 0.00 -1.26 -4.91 105.19 100.23 1x3h n GLY 20 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1x3h n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3h n ASN 22 N 0.54 -3.18 -4.75 0.00 6.94 -0.73 -4.93 115.26 109.15 1x3h n ASN 22 Ca 0.06 -0.96 -0.27 0.00 -0.02 0.00 0.00 54.58 53.39 1x3h n ASN 22 Cb 0.26 -3.07 -0.06 0.00 -2.36 0.00 0.00 39.78 34.55 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1x3h s ARG 23 N -6.80 2.74 -0.59 -3.83 0.52 -1.26 -4.77 118.95 104.96 1x3h s ARG 23 Ca 0.61 -0.90 -0.27 0.00 -0.52 0.00 0.00 55.73 54.66 1x3h s ARG 23 Cb -0.32 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 1x3h s ARG 23 CO 0.90 0.50 1.85 -1.25 0.02 0.00 0.00 175.30 177.32 1x3h s PRO 24 N -2.87 2.68 -0.16 3.54 0.04 -1.26 -1.04 135.00 135.92 1x3h s PRO 24 Ca 0.29 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 61.78 1x3h s PRO 24 Cb -0.10 -4.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.03 1x3h s PRO 24 CO 0.21 -2.67 0.64 0.14 0.04 0.00 0.00 177.00 175.36 1x3h s VAL 25 N 8.91 5.04 0.00 -0.36 -7.23 -1.22 -4.88 120.40 120.65 1x3h s VAL 25 Ca 0.68 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 62.08 1x3h s VAL 25 Cb -0.13 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 32.85 1x3h s VAL 25 CO 0.22 0.16 0.00 0.18 -0.31 0.00 0.00 175.10 175.35 1x3h n LEU 26 N 4.60 0.69 -4.82 1.32 4.77 -1.26 -4.84 117.00 117.46 1x3h n LEU 26 Ca -0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.63 1x3h n LEU 26 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1x3h n LEU 26 CO 0.45 -0.02 -0.22 -1.83 -1.33 0.00 0.00 177.39 174.44 1x3h s GLU 27 N -1.75 3.22 -1.40 3.23 -1.05 -1.26 -4.54 118.70 115.15 1x3h s GLU 27 Ca 0.00 -0.39 -0.10 0.00 -0.15 0.00 0.00 54.97 54.33 1x3h s GLU 27 Cb 0.00 -2.96 0.01 0.00 -0.44 0.00 0.00 34.13 30.74 1x3h s GLU 27 CO 0.00 0.67 0.33 0.27 0.95 0.00 0.00 175.26 177.49 1x3h n ASN 28 N 1.25 -1.11 -4.62 0.83 0.23 -1.26 -4.94 115.26 105.64 1x3h n ASN 28 Ca -0.13 -1.20 -0.28 0.00 -0.53 0.00 0.00 54.58 52.44 1x3h n ASN 28 Cb 0.53 -2.11 -0.09 0.00 -2.08 0.00 0.00 39.78 36.03 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1x3h s TYR 29 N -4.00 2.77 0.40 -2.53 1.13 -1.26 -4.13 117.35 109.72 1x3h s TYR 29 Ca 0.16 -0.16 0.08 0.00 -1.41 0.00 0.00 57.07 55.74 1x3h s TYR 29 Cb -0.08 -1.38 -0.02 0.00 -1.10 0.00 0.00 41.96 39.38 1x3h s TYR 29 CO 0.96 0.49 0.38 -0.51 -2.51 0.00 0.00 175.55 174.36 1x3h s LEU 30 N -2.70 3.47 -0.33 -3.49 1.02 -0.95 -4.94 118.68 110.77 1x3h s LEU 30 Ca 0.25 -0.65 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 1x3h s LEU 30 Cb -0.10 -2.16 0.11 0.00 0.02 0.00 0.00 46.19 44.06 1x3h s LEU 30 CO 0.16 -0.59 0.14 -0.44 0.02 0.00 0.00 176.35 175.64 1x3h s SER 31 N -4.12 3.73 0.14 2.29 0.01 -1.26 -1.65 113.70 112.85 1x3h s SER 31 Ca 0.47 -1.74 0.05 0.00 1.31 0.00 0.00 55.95 56.04 1x3h s SER 31 Cb -0.04 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1x3h s SER 31 CO 0.28 -0.39 -0.10 0.00 0.41 0.00 0.00 173.24 173.44 1x3h s ALA 32 N 1.52 1.45 -1.60 1.44 0.00 0.19 -4.82 121.76 119.95 1x3h s ALA 32 Ca 0.12 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 1x3h s ALA 32 Cb -0.19 0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.08 1x3h s ALA 32 CO -0.22 -0.08 0.76 -1.33 0.00 0.00 0.00 175.76 174.89 1x3h n MET 33 N -0.13 -3.80 -2.04 0.00 2.81 -1.26 0.83 117.12 113.53 1x3h n MET 33 Ca -0.11 0.44 -0.18 0.00 -1.81 0.00 0.00 57.70 56.04 1x3h n MET 33 Cb 0.60 -5.08 -0.04 0.00 -0.71 0.00 0.00 33.22 27.99 1x3h n MET 33 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1x3h n ASP 34 N -2.77 -5.04 -2.69 7.83 2.03 -1.26 -4.92 116.55 109.72 1x3h n ASP 34 Ca -0.02 0.22 -0.13 0.00 0.52 0.00 0.00 54.79 55.38 1x3h n ASP 34 Cb 0.54 -4.34 -0.04 0.00 -0.72 0.00 0.00 41.12 36.56 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1x3h n THR 35 N -3.12 0.00 -4.09 5.18 5.66 0.24 -5.17 114.28 112.97 1x3h n THR 35 Ca -0.20 -1.62 -0.22 0.00 -3.05 0.00 0.00 64.05 58.96 1x3h n THR 35 Cb 0.63 0.93 -0.04 0.00 -1.55 0.00 0.00 70.33 70.30 1x3h n THR 35 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1x3h s VAL 36 N -2.86 4.40 0.36 1.08 -7.23 -1.26 0.55 120.40 115.45 1x3h s VAL 36 Ca 0.27 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1x3h s VAL 36 Cb -0.00 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.55 1x3h s VAL 36 CO 0.19 -0.34 0.50 0.79 -0.31 0.00 0.00 175.10 175.93 1x3h n TRP 37 N -1.20 -1.47 -4.38 2.82 7.02 -0.66 -2.71 117.44 116.87 1x3h n TRP 37 Ca -0.07 -2.44 -0.33 0.00 -1.02 0.00 0.00 57.50 53.63 1x3h n TRP 37 Cb 0.58 0.56 -0.10 0.00 -2.42 0.00 0.00 31.31 29.94 1x3h n TRP 37 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1x3h s HIS 38 N -2.86 3.04 -2.00 -5.99 3.76 -1.26 -2.24 115.29 107.74 1x3h s HIS 38 Ca 0.30 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.32 1x3h s HIS 38 Cb -0.01 -1.69 0.19 0.00 1.11 0.00 0.00 32.58 32.18 1x3h s HIS 38 CO 0.22 0.43 0.66 -0.35 -0.85 0.00 0.00 174.74 174.85 1x3h n PRO 39 N 1.70 0.49 0.00 8.40 -0.04 -1.26 -1.35 135.00 142.94 1x3h n PRO 39 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x3h n PRO 39 Cb 0.53 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1x3h n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x3h n GLU 40 N -0.60 2.50 -0.05 0.54 0.28 -1.26 -4.84 120.64 117.21 1x3h n GLU 40 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.82 1x3h n GLU 40 Cb 0.01 -0.81 -0.13 0.00 1.43 0.00 0.00 31.44 31.94 1x3h n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x3h n PHE 42 N -4.16 0.92 -3.94 0.00 7.35 -0.45 -4.82 117.46 112.35 1x3h n PHE 42 Ca -0.27 0.26 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1x3h n PHE 42 Cb 0.78 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 38.12 1x3h n PHE 42 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x3h s VAL 43 N 10.32 0.00 1.02 -2.13 -7.23 -1.26 -4.21 120.40 116.91 1x3h s VAL 43 Ca 1.20 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 1x3h s VAL 43 Cb -0.79 -2.39 0.21 0.00 0.56 0.00 0.00 36.38 33.96 1x3h s VAL 43 CO 0.39 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.27 1x3h n GLY 45 N 0.29 -1.20 0.23 0.00 0.00 -1.15 -3.29 105.19 100.08 1x3h n GLY 45 Ca 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1x3h n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x3h n ASP 46 N -2.32 0.91 0.14 1.61 8.00 -1.26 -4.67 116.55 118.96 1x3h n ASP 46 Ca -0.01 0.15 0.12 0.00 0.71 0.00 0.00 54.79 55.76 1x3h n ASP 46 Cb 0.53 -0.54 0.28 0.00 -0.02 0.00 0.00 41.12 41.37 1x3h n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x3h n PHE 48 N -2.58 -1.91 -3.86 0.00 3.01 -1.21 -4.92 117.46 105.99 1x3h n PHE 48 Ca 0.04 0.82 -0.33 0.00 1.01 0.00 0.00 57.45 59.00 1x3h n PHE 48 Cb 0.47 -4.32 -0.05 0.00 -0.01 0.00 0.00 39.48 35.58 1x3h n PHE 48 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1x3h s THR 49 N -3.67 5.38 0.46 4.37 -1.32 -1.26 -4.59 115.64 115.01 1x3h s THR 49 Ca 0.03 -0.15 -0.22 0.00 -1.21 0.00 0.00 61.69 60.14 1x3h s THR 49 Cb -0.01 -3.58 -0.08 0.00 -1.51 0.00 0.00 72.50 67.33 1x3h s THR 49 CO 0.82 0.26 1.09 -0.55 -2.21 0.00 0.00 174.62 174.02 1x3h s SER 50 N -2.10 6.32 -0.54 8.08 0.15 -1.26 -2.15 113.70 122.20 1x3h s SER 50 Ca 0.31 2.09 -0.09 0.00 0.70 0.00 0.00 55.95 58.96 1x3h s SER 50 Cb -0.13 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.74 1x3h s SER 50 CO 0.21 -0.80 0.41 -0.36 1.20 0.00 0.00 173.24 173.90 1x3h s PHE 51 N -1.75 3.47 0.00 3.44 0.08 -1.26 -4.81 117.98 117.15 1x3h s PHE 51 Ca 0.65 -2.04 0.00 0.00 0.12 0.00 0.00 56.93 55.66 1x3h s PHE 51 Cb -0.22 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 1x3h s PHE 51 CO 0.27 -0.97 0.00 -1.13 -0.10 0.00 0.00 175.22 173.29 1x3h n SER 52 N 4.56 3.12 -2.09 1.36 3.41 -1.26 -4.81 113.62 117.90 1x3h n SER 52 Ca -0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.35 1x3h n SER 52 Cb 0.41 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1x3h n SER 52 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x3h n THR 53 N -2.47 2.47 -3.15 6.66 -2.24 -1.26 -4.94 114.28 109.35 1x3h n THR 53 Ca 0.00 -4.24 0.05 0.00 -2.27 0.00 0.00 64.05 57.59 1x3h n THR 53 Cb 0.45 -1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1x3h n THR 53 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x3h s GLY 54 N -3.60 -0.91 -0.45 3.38 0.00 -1.26 -5.11 107.32 99.37 1x3h s GLY 54 Ca 0.50 1.92 -0.40 0.00 0.00 0.00 0.00 44.72 46.75 1x3h s GLY 54 CO 0.02 3.86 2.18 1.44 0.00 0.00 0.00 173.10 180.59 1x3h n SER 55 N 5.30 1.36 -3.96 1.64 7.64 -1.26 -4.87 113.62 119.47 1x3h n SER 55 Ca 0.04 0.53 -0.27 0.00 1.01 0.00 0.00 58.87 60.18 1x3h n SER 55 Cb 0.55 -1.07 0.15 0.00 -1.01 0.00 0.00 64.21 62.83 1x3h n SER 55 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1x3h n PHE 56 N 8.71 -1.79 -4.42 1.43 -1.74 -1.26 -4.83 117.46 113.57 1x3h n PHE 56 Ca 0.49 0.13 -0.21 0.00 -0.56 0.00 0.00 57.45 57.31 1x3h n PHE 56 Cb 0.09 -1.47 -0.16 0.00 1.52 0.00 0.00 39.48 39.47 1x3h n PHE 56 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1x3h s PHE 57 N -2.14 1.01 -0.42 2.97 0.40 -1.04 -4.99 117.98 113.77 1x3h s PHE 57 Ca 0.46 -0.26 -0.22 0.00 -0.60 0.00 0.00 56.93 56.30 1x3h s PHE 57 Cb -0.07 -0.72 0.02 0.00 0.51 0.00 0.00 43.02 42.76 1x3h s PHE 57 CO 0.53 -0.12 0.71 -2.00 0.70 0.00 0.00 175.22 175.04 1x3h s GLU 58 N 0.24 3.45 -0.27 0.44 2.12 -1.26 -1.95 118.70 121.47 1x3h s GLU 58 Ca -0.04 -0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 1x3h s GLU 58 Cb -0.09 -3.90 0.09 0.00 0.26 0.00 0.00 34.13 30.48 1x3h s GLU 58 CO 0.01 -0.98 0.08 -1.17 -0.54 0.00 0.00 175.26 172.65 1x3h s LEU 59 N 3.01 1.69 -0.99 2.70 2.96 -1.00 -4.82 118.68 122.24 1x3h s LEU 59 Ca 0.27 -1.31 -0.05 0.00 -0.22 0.00 0.00 54.13 52.81 1x3h s LEU 59 Cb -0.13 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.84 1x3h s LEU 59 CO 0.19 -0.38 0.72 -0.67 -1.32 0.00 0.00 176.35 174.89 1x3h n ASP 60 N 4.96 -4.99 -2.44 3.68 2.03 -1.26 -2.63 116.55 115.90 1x3h n ASP 60 Ca -0.05 -0.33 -0.18 0.00 0.52 0.00 0.00 54.79 54.75 1x3h n ASP 60 Cb 0.44 -3.65 0.02 0.00 -0.72 0.00 0.00 41.12 37.21 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x3h n GLY 61 N -1.48 -0.32 2.97 0.27 0.00 -1.26 -5.00 105.19 100.36 1x3h n GLY 61 Ca -0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1x3h n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3h s ARG 62 N -5.40 0.13 -0.13 1.61 0.52 -1.08 -5.13 118.95 109.49 1x3h s ARG 62 Ca 0.21 0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 55.61 1x3h s ARG 62 Cb -0.09 -0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 1x3h s ARG 62 CO 0.26 -0.19 1.54 -1.25 0.02 0.00 0.00 175.30 175.69 1x3h s PRO 63 N 1.42 4.09 0.39 3.54 0.04 -1.26 -2.38 135.00 140.85 1x3h s PRO 63 Ca -0.07 1.92 0.04 0.00 0.04 0.00 0.00 61.00 62.93 1x3h s PRO 63 Cb -0.11 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1x3h s PRO 63 CO -0.07 -0.93 0.05 -0.06 0.04 0.00 0.00 177.00 176.03 1x3h s PHE 64 N 4.20 2.05 -0.18 0.56 0.08 -0.82 -2.92 117.98 120.95 1x3h s PHE 64 Ca 0.68 -0.95 -0.08 0.00 0.12 0.00 0.00 56.93 56.70 1x3h s PHE 64 Cb -0.28 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1x3h s PHE 64 CO 0.26 0.09 0.09 0.00 -0.10 0.00 0.00 175.22 175.55 1x3h n GLU 66 N 3.32 -0.13 -0.40 0.00 2.13 -1.26 0.11 120.64 124.40 1x3h n GLU 66 Ca -0.17 0.65 -0.08 0.00 0.66 0.00 0.00 57.16 58.22 1x3h n GLU 66 Cb 0.52 -0.96 -0.06 0.00 0.27 0.00 0.00 31.44 31.21 1x3h n GLU 66 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1x3h n LEU 67 N -4.59 -0.94 -0.04 4.31 7.94 -1.26 -1.23 117.00 121.19 1x3h n LEU 67 Ca 0.03 1.75 -0.13 0.00 -1.11 0.00 0.00 56.01 56.55 1x3h n LEU 67 Cb 0.15 -0.27 -0.11 0.00 0.53 0.00 0.00 43.42 43.72 1x3h n LEU 67 CO -0.06 -1.46 0.44 0.45 -1.11 0.00 0.00 177.39 175.65 1x3h h HIS 68 N 0.00 -0.03 -0.65 1.96 3.86 0.37 -3.16 115.15 117.50 1x3h h HIS 68 Ca 0.21 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.52 1x3h h HIS 68 Cb 0.45 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 1x3h h HIS 68 CO -0.98 0.70 -0.26 0.98 0.86 0.00 0.00 177.93 179.23 1x3h n TYR 69 N -4.73 0.01 0.22 2.45 9.36 0.13 0.30 117.16 124.89 1x3h n TYR 69 Ca -0.09 0.81 -0.15 0.00 3.32 0.00 0.00 57.90 61.79 1x3h n TYR 69 Cb 0.36 -0.74 -0.08 0.00 -0.63 0.00 0.00 39.34 38.25 1x3h n TYR 69 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1x3h h HIS 70 N 0.00 -0.51 -0.23 2.98 3.86 -1.29 -2.90 115.15 117.07 1x3h h HIS 70 Ca 0.22 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 1x3h h HIS 70 Cb 0.39 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.95 1x3h h HIS 70 CO -0.58 -0.21 -0.50 1.25 0.86 0.00 0.00 177.93 178.75 1x3h h HIS 71 N -0.76 -1.47 -0.74 2.45 -0.00 -0.12 -2.04 115.15 112.48 1x3h h HIS 71 Ca -0.06 0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.48 1x3h h HIS 71 Cb 0.52 0.67 -0.12 0.00 -0.00 0.00 0.00 27.41 28.49 1x3h h HIS 71 CO -0.00 -0.51 -0.45 0.00 -0.00 0.00 0.00 177.93 176.97 1x3h h ARG 72 N -0.49 -0.14 -0.77 5.26 3.08 -0.35 0.13 114.38 121.10 1x3h h ARG 72 Ca 0.07 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.29 1x3h h ARG 72 Cb 0.64 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.58 1x3h h ARG 72 CO -0.48 -0.09 -0.13 0.00 -1.07 0.00 0.00 179.97 178.20 1x3h h ARG 73 N -0.14 0.03 -6.90 0.04 3.08 -1.17 -3.41 114.38 105.91 1x3h h ARG 73 Ca 0.21 -0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.72 1x3h h ARG 73 Cb 0.55 -0.01 0.10 0.00 0.08 0.00 0.00 29.97 30.69 1x3h h ARG 73 CO -0.80 0.02 0.79 0.41 -1.07 0.00 0.00 179.97 179.32 1x3h n GLY 74 N -1.48 1.21 3.40 0.04 0.00 0.43 -4.78 105.19 104.02 1x3h n GLY 74 Ca 0.12 0.35 -0.50 0.00 0.00 0.00 0.00 46.02 45.99 1x3h n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3h n SER 75 N 0.87 1.22 -4.25 1.61 7.64 -1.26 -4.89 113.62 114.56 1x3h n SER 75 Ca 0.03 0.36 -0.26 0.00 1.01 0.00 0.00 58.87 60.01 1x3h n SER 75 Cb 0.38 -1.08 -0.08 0.00 -1.01 0.00 0.00 64.21 62.42 1x3h n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3h s GLY 76 N 7.72 2.62 -0.77 0.23 0.00 -1.26 -5.07 107.32 110.79 1x3h s GLY 76 Ca 1.19 -1.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.45 1x3h s GLY 76 CO 0.53 -1.89 1.91 2.56 0.00 0.00 0.00 173.10 176.21 1x3h s PRO 77 N -3.75 2.58 -0.15 2.90 0.04 -1.26 -4.80 135.00 130.57 1x3h s PRO 77 Ca 0.22 0.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1x3h s PRO 77 Cb 0.03 -4.76 -0.07 0.00 0.04 0.00 0.00 34.50 29.73 1x3h s PRO 77 CO 0.13 -3.10 0.00 1.03 0.04 0.00 0.00 177.00 175.11 1x3h h SER 78 N 12.95 0.00 -3.65 6.66 0.87 -1.99 -3.47 113.55 124.92 1x3h h SER 78 Ca -0.06 -0.17 -0.50 0.00 -1.23 0.00 0.00 61.79 59.83 1x3h h SER 78 Cb 1.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1x3h h SER 78 CO 1.21 0.87 0.07 -0.44 -0.53 0.00 0.00 176.83 178.01 1x3h s SER 79 N -5.95 6.63 0.00 6.23 0.01 -1.26 -5.34 113.70 114.01 1x3h s SER 79 Ca -0.15 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1x3h s SER 79 Cb 0.02 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1x3h s SER 79 CO 0.28 -0.28 0.01 0.61 0.41 0.00 0.00 173.24 174.27