#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 6.44 -0.14 1.61 0.01 -1.26 -5.08 113.70 115.29 1x3h s SER 2 Ca 0.00 0.52 -0.05 0.00 1.31 0.00 0.00 55.95 57.73 1x3h s SER 2 Cb 0.00 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1x3h s SER 2 CO 0.00 0.16 0.03 -0.55 0.41 0.00 0.00 173.24 173.29 1x3h s SER 3 N 0.17 5.44 -0.34 2.44 0.15 -1.26 -5.06 113.70 115.25 1x3h s SER 3 Ca 0.16 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 1x3h s SER 3 Cb -0.13 -1.77 0.19 0.00 -1.71 0.00 0.00 66.02 62.60 1x3h s SER 3 CO 0.04 0.28 0.82 -0.83 1.20 0.00 0.00 173.24 174.74 1x3h s GLY 4 N -0.25 -1.28 -0.30 9.45 0.00 -1.26 -5.14 107.32 108.54 1x3h s GLY 4 Ca 0.07 1.05 -0.15 0.00 0.00 0.00 0.00 44.72 45.70 1x3h s GLY 4 CO 0.02 3.94 1.01 -0.45 0.00 0.00 0.00 173.10 177.62 1x3h s SER 5 N 2.30 -0.54 0.12 1.64 0.15 -1.26 -5.18 113.70 110.94 1x3h s SER 5 Ca 0.17 0.68 -0.25 0.00 0.70 0.00 0.00 55.95 57.25 1x3h s SER 5 Cb -0.03 1.59 0.07 0.00 -1.71 0.00 0.00 66.02 65.94 1x3h s SER 5 CO -0.16 -0.10 0.78 -0.55 1.20 0.00 0.00 173.24 174.40 1x3h s SER 6 N 2.47 -0.39 0.00 5.45 0.15 -1.26 -5.12 113.70 115.00 1x3h s SER 6 Ca -0.02 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x3h s SER 6 Cb -0.06 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x3h s SER 6 CO -0.17 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1x3h n GLY 7 N -0.36 -1.49 0.67 9.45 0.00 -1.26 -5.08 105.19 107.12 1x3h n GLY 7 Ca -0.10 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1x3h n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3h n LYS 8 N 0.97 0.22 -3.46 1.61 4.76 -1.26 -5.04 118.16 115.96 1x3h n LYS 8 Ca 0.00 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.21 1x3h n LYS 8 Cb 0.00 -0.88 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 1x3h n LYS 8 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1x3h s ASP 9 N -5.98 6.61 -0.06 4.39 -4.77 -1.26 -5.03 116.67 110.58 1x3h s ASP 9 Ca -0.14 0.86 -0.09 0.00 -3.30 0.00 0.00 52.55 49.89 1x3h s ASP 9 Cb 0.04 -2.20 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 1x3h s ASP 9 CO 0.18 -0.05 -0.17 2.22 0.70 0.00 0.00 175.17 178.05 1x3h n PHE 10 N -0.07 0.00 0.08 2.11 -1.74 -1.26 -5.02 117.46 111.56 1x3h n PHE 10 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1x3h n PHE 10 Cb 0.52 -0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.23 1x3h n PHE 10 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1x3h n LEU 11 N -3.91 0.42 -4.07 5.98 4.32 -1.26 -5.04 117.00 113.44 1x3h n LEU 11 Ca -0.11 0.27 -0.29 0.00 -0.02 0.00 0.00 56.01 55.86 1x3h n LEU 11 Cb 0.34 0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.13 1x3h n LEU 11 CO 0.09 -0.74 -0.21 0.00 -1.22 0.00 0.00 177.39 175.31 1x3h n ALA 12 N -3.35 -1.81 -3.66 -1.18 0.00 -1.26 -4.95 120.51 104.31 1x3h n ALA 12 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1x3h n ALA 12 Cb 0.00 -1.94 -0.18 0.00 0.00 0.00 0.00 19.45 17.33 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 -6.76 -0.05 -0.42 0.00 -1.94 -1.26 -5.02 119.30 103.84 1x3h s MET 13 Ca 0.20 0.33 0.04 0.00 -1.71 0.00 0.00 55.69 54.56 1x3h s MET 13 Cb -0.11 -0.67 0.47 0.00 2.01 0.00 0.00 34.83 36.52 1x3h s MET 13 CO 0.91 -0.38 1.52 1.97 -0.01 0.00 0.00 175.02 179.03 1x3h n PHE 14 N 5.30 2.67 -3.79 -0.03 1.16 -1.26 -4.98 117.46 116.53 1x3h n PHE 14 Ca -0.04 -2.40 -0.13 0.00 -1.87 0.00 0.00 57.45 53.02 1x3h n PHE 14 Cb 0.50 -0.74 -0.11 0.00 -1.61 0.00 0.00 39.48 37.53 1x3h n PHE 14 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1x3h s SER 15 N -2.85 -0.22 0.88 5.98 0.15 -1.26 -5.17 113.70 111.20 1x3h s SER 15 Ca 0.55 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1x3h s SER 15 Cb 0.44 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1x3h s SER 15 CO 0.02 -0.20 0.00 -0.81 1.20 0.00 0.00 173.24 173.45 1x3h n PRO 16 N 2.43 -0.77 -4.12 5.44 -0.04 -1.26 -4.90 135.00 131.78 1x3h n PRO 16 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1x3h n PRO 16 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 1x3h n PRO 16 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x3h s LYS 17 N -2.63 0.77 0.35 0.54 1.02 -1.26 -3.26 119.74 115.27 1x3h s LYS 17 Ca 0.00 -1.33 -0.27 0.00 0.02 0.00 0.00 55.97 54.39 1x3h s LYS 17 Cb 0.00 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.44 1x3h s LYS 17 CO 0.00 -0.19 1.20 0.00 -0.92 0.00 0.00 175.35 175.44 1x3h n GLY 19 N 0.83 2.29 1.93 0.00 0.00 -1.14 -1.81 105.19 107.28 1x3h n GLY 19 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.34 -0.36 0.00 -0.02 0.00 -1.26 -4.92 105.19 99.97 1x3h n GLY 20 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.47 -4.85 -4.93 0.00 3.02 -0.75 -4.96 115.26 101.31 1x3h n ASN 22 Ca 0.03 0.16 -0.28 0.00 -0.03 0.00 0.00 54.58 54.46 1x3h n ASN 22 Cb 0.30 -3.89 -0.03 0.00 -0.61 0.00 0.00 39.78 35.55 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x3h s ARG 23 N -4.19 3.47 0.03 3.52 0.52 -1.26 -4.71 118.95 116.33 1x3h s ARG 23 Ca 0.00 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1x3h s ARG 23 Cb 0.00 -2.95 -0.06 0.00 0.52 0.00 0.00 34.95 32.46 1x3h s ARG 23 CO 0.00 0.51 1.43 -1.25 0.02 0.00 0.00 175.30 176.01 1x3h s PRO 24 N -3.02 4.28 -0.14 3.54 0.04 -1.26 -0.13 135.00 138.31 1x3h s PRO 24 Ca 0.36 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 1x3h s PRO 24 Cb -0.12 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1x3h s PRO 24 CO 0.28 -0.57 -0.02 0.14 0.04 0.00 0.00 177.00 176.87 1x3h s VAL 25 N 2.23 4.06 0.09 -0.36 -7.23 -1.20 -4.92 120.40 113.07 1x3h s VAL 25 Ca 0.65 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1x3h s VAL 25 Cb -0.33 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1x3h s VAL 25 CO 0.28 0.52 0.00 0.18 -0.31 0.00 0.00 175.10 175.76 1x3h n LEU 26 N 3.20 0.50 -4.90 1.32 4.77 -1.26 -4.71 117.00 115.91 1x3h n LEU 26 Ca -0.17 0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 1x3h n LEU 26 Cb 0.53 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1x3h n LEU 26 CO 0.32 -0.52 -0.10 -1.83 -1.33 0.00 0.00 177.39 173.92 1x3h s GLU 27 N -2.00 3.16 -1.57 3.23 -1.05 -1.26 -4.55 118.70 114.67 1x3h s GLU 27 Ca 0.00 -0.92 -0.02 0.00 -0.15 0.00 0.00 54.97 53.88 1x3h s GLU 27 Cb 0.00 -2.72 0.02 0.00 -0.44 0.00 0.00 34.13 30.99 1x3h s GLU 27 CO 0.00 0.40 0.05 0.09 0.95 0.00 0.00 175.26 176.74 1x3h n ASN 28 N -1.30 0.74 -4.63 0.83 4.13 -1.26 -4.92 115.26 108.85 1x3h n ASN 28 Ca -0.08 -1.27 -0.32 0.00 1.68 0.00 0.00 54.58 54.59 1x3h n ASN 28 Cb 0.58 -1.58 -0.10 0.00 -1.54 0.00 0.00 39.78 37.14 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1x3h s TYR 29 N -4.30 2.96 0.42 3.10 -0.85 -1.26 -4.09 117.35 113.33 1x3h s TYR 29 Ca 0.06 0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.69 1x3h s TYR 29 Cb -0.04 -1.63 0.01 0.00 0.38 0.00 0.00 41.96 40.69 1x3h s TYR 29 CO 1.00 0.41 0.57 -0.51 -1.52 0.00 0.00 175.55 175.50 1x3h s LEU 30 N -1.52 3.67 -0.32 -3.49 1.02 -1.02 -4.93 118.68 112.09 1x3h s LEU 30 Ca 0.18 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.96 1x3h s LEU 30 Cb -0.11 -2.69 0.11 0.00 0.02 0.00 0.00 46.19 43.52 1x3h s LEU 30 CO 0.09 -0.75 0.13 -0.44 0.02 0.00 0.00 176.35 175.40 1x3h s SER 31 N -4.33 3.73 0.13 2.29 0.01 -1.26 -2.02 113.70 112.24 1x3h s SER 31 Ca 0.54 -1.67 0.05 0.00 1.31 0.00 0.00 55.95 56.18 1x3h s SER 31 Cb -0.10 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 1x3h s SER 31 CO 0.33 -0.40 -0.12 0.00 0.41 0.00 0.00 173.24 173.47 1x3h s ALA 32 N 1.60 1.39 -1.60 1.44 0.00 0.18 -4.81 121.76 119.96 1x3h s ALA 32 Ca 0.11 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 1x3h s ALA 32 Cb -0.18 -0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.04 1x3h s ALA 32 CO -0.24 -0.01 0.66 -1.33 0.00 0.00 0.00 175.76 174.84 1x3h n MET 33 N 0.25 -3.23 -2.23 0.00 2.81 -1.26 1.00 117.12 114.46 1x3h n MET 33 Ca -0.14 0.38 -0.17 0.00 -1.81 0.00 0.00 57.70 55.97 1x3h n MET 33 Cb 0.59 -4.89 -0.02 0.00 -0.71 0.00 0.00 33.22 28.18 1x3h n MET 33 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x3h n ASP 34 N -2.77 -4.92 -3.29 7.83 8.00 -1.26 -4.92 116.55 115.22 1x3h n ASP 34 Ca -0.06 0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 1x3h n ASP 34 Cb 0.56 -4.18 -0.05 0.00 -0.02 0.00 0.00 41.12 37.42 1x3h n ASP 34 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x3h s THR 35 N -2.77 0.00 0.19 -3.53 -1.32 0.28 -5.17 115.64 103.32 1x3h s THR 35 Ca 0.00 -1.71 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 1x3h s THR 35 Cb 0.00 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1x3h s THR 35 CO 0.00 0.00 0.16 0.68 -2.21 0.00 0.00 174.62 173.25 1x3h s VAL 36 N -3.18 4.52 0.35 5.08 -7.23 -1.26 0.50 120.40 119.18 1x3h s VAL 36 Ca 0.33 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1x3h s VAL 36 Cb 0.00 -3.35 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 1x3h s VAL 36 CO 0.22 -0.19 0.39 0.26 -0.31 0.00 0.00 175.10 175.47 1x3h s TRP 37 N -1.87 1.47 -0.07 2.82 0.52 -0.86 -2.87 118.94 118.08 1x3h s TRP 37 Ca 0.32 -1.52 -0.00 0.00 0.02 0.00 0.00 56.10 54.91 1x3h s TRP 37 Cb -0.09 -0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 31.78 1x3h s TRP 37 CO 0.24 -1.03 -0.02 -1.01 0.02 0.00 0.00 176.95 175.15 1x3h s HIS 38 N -3.16 3.08 -2.00 -1.98 3.76 -1.26 -2.44 115.29 111.29 1x3h s HIS 38 Ca 0.36 0.12 0.07 0.00 -0.15 0.00 0.00 55.06 55.46 1x3h s HIS 38 Cb 0.01 -1.74 0.40 0.00 1.11 0.00 0.00 32.58 32.36 1x3h s HIS 38 CO 0.25 0.43 0.86 -0.35 -0.85 0.00 0.00 174.74 175.08 1x3h n PRO 39 N 2.05 0.49 0.00 8.40 -0.04 -1.26 -1.30 135.00 143.34 1x3h n PRO 39 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1x3h n PRO 39 Cb 0.53 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.72 2.72 -0.10 0.54 0.28 -1.26 -4.83 120.64 117.27 1x3h n GLU 40 Ca 0.05 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.87 1x3h n GLU 40 Cb 0.02 -0.95 -0.09 0.00 1.43 0.00 0.00 31.44 31.86 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 -4.45 0.54 -3.69 0.00 7.35 -0.42 -4.80 117.46 111.99 1x3h n PHE 42 Ca -0.28 0.28 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1x3h n PHE 42 Cb 0.60 -2.07 -0.02 0.00 0.35 0.00 0.00 39.48 38.33 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 7.80 0.01 1.02 -2.13 -7.23 -1.26 -4.42 120.40 114.19 1x3h s VAL 43 Ca 1.31 -0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 60.69 1x3h s VAL 43 Cb -1.07 -1.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 1x3h s VAL 43 CO 0.48 -0.03 -0.18 0.00 -0.31 0.00 0.00 175.10 175.06 1x3h n GLY 45 N 2.26 -1.06 0.03 0.00 0.00 -1.10 -3.39 105.19 101.92 1x3h n GLY 45 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.54 0.72 0.20 1.61 9.92 -1.26 -4.59 116.55 120.62 1x3h n ASP 46 Ca -0.13 0.25 0.12 0.00 -0.53 0.00 0.00 54.79 54.49 1x3h n ASP 46 Cb 0.79 -0.62 0.20 0.00 -0.64 0.00 0.00 41.12 40.86 1x3h n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x3h n PHE 48 N -2.99 -2.06 -4.03 0.00 3.72 -1.22 -4.95 117.46 105.93 1x3h n PHE 48 Ca 0.04 0.79 -0.24 0.00 -0.05 0.00 0.00 57.45 58.00 1x3h n PHE 48 Cb 0.52 -4.29 -0.04 0.00 -0.94 0.00 0.00 39.48 34.73 1x3h n PHE 48 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1x3h s THR 49 N -3.53 4.89 0.46 4.37 -1.32 -1.26 -4.67 115.64 114.57 1x3h s THR 49 Ca 0.17 -1.04 -0.21 0.00 -1.21 0.00 0.00 61.69 59.41 1x3h s THR 49 Cb -0.04 -3.58 -0.10 0.00 -1.51 0.00 0.00 72.50 67.27 1x3h s THR 49 CO 0.79 -0.22 0.99 -0.55 -2.21 0.00 0.00 174.62 173.42 1x3h s SER 50 N -3.55 6.68 -0.80 8.08 0.15 -1.26 -2.04 113.70 120.96 1x3h s SER 50 Ca 0.33 1.79 -0.02 0.00 0.70 0.00 0.00 55.95 58.75 1x3h s SER 50 Cb -0.09 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 61.87 1x3h s SER 50 CO 0.26 -0.54 0.66 -0.36 1.20 0.00 0.00 173.24 174.46 1x3h s PHE 51 N -2.11 3.72 -0.32 3.44 0.08 -1.26 -4.97 117.98 116.57 1x3h s PHE 51 Ca 0.64 -2.93 -0.28 0.00 0.12 0.00 0.00 56.93 54.48 1x3h s PHE 51 Cb -0.12 -3.21 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1x3h s PHE 51 CO 0.16 -0.76 1.03 -1.12 -0.10 0.00 0.00 175.22 174.43 1x3h s SER 52 N 0.09 6.90 -1.48 1.36 0.01 -1.26 -4.05 113.70 115.27 1x3h s SER 52 Ca 0.24 1.00 -0.19 0.00 1.31 0.00 0.00 55.95 58.31 1x3h s SER 52 Cb -0.11 -2.52 0.19 0.00 0.21 0.00 0.00 66.02 63.78 1x3h s SER 52 CO -0.10 -0.84 0.47 0.35 0.41 0.00 0.00 173.24 173.53 1x3h n THR 53 N 5.81 0.00 -4.00 1.44 -2.24 -1.26 -4.86 114.28 109.17 1x3h n THR 53 Ca 0.11 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.58 1x3h n THR 53 Cb 0.47 -0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.76 1.53 -0.81 3.38 0.00 -1.26 -5.05 107.32 102.36 1x3h s GLY 54 Ca 0.66 -1.72 -0.32 0.00 0.00 0.00 0.00 44.72 43.33 1x3h s GLY 54 CO 0.80 0.83 2.37 1.44 0.00 0.00 0.00 173.10 178.54 1x3h n SER 55 N 4.51 0.39 -4.73 1.64 7.64 -1.26 -4.86 113.62 116.95 1x3h n SER 55 Ca -0.10 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.78 1x3h n SER 55 Cb 0.43 -0.85 0.15 0.00 -1.01 0.00 0.00 64.21 62.92 1x3h n SER 55 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x3h s PHE 56 N 7.63 2.34 0.02 1.43 -0.12 -1.26 -4.90 117.98 123.11 1x3h s PHE 56 Ca 1.23 1.05 0.08 0.00 -0.05 0.00 0.00 56.93 59.24 1x3h s PHE 56 Cb -1.23 -3.24 -0.03 0.00 -0.63 0.00 0.00 43.02 37.89 1x3h s PHE 56 CO 0.50 -2.52 -0.25 -0.06 -0.05 0.00 0.00 175.22 172.84 1x3h s PHE 57 N -3.05 2.37 -0.40 3.49 0.40 -1.22 -5.05 117.98 114.52 1x3h s PHE 57 Ca 0.64 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 56.43 1x3h s PHE 57 Cb -0.17 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 41.93 1x3h s PHE 57 CO 0.56 0.08 0.28 -2.00 0.70 0.00 0.00 175.22 174.85 1x3h s GLU 58 N -1.02 2.98 -0.17 0.44 2.12 -1.26 -2.75 118.70 119.05 1x3h s GLU 58 Ca 0.11 -1.00 -0.01 0.00 0.36 0.00 0.00 54.97 54.43 1x3h s GLU 58 Cb -0.10 -3.93 0.05 0.00 0.26 0.00 0.00 34.13 30.40 1x3h s GLU 58 CO 0.01 -0.72 -0.01 -1.17 -0.54 0.00 0.00 175.26 172.83 1x3h s LEU 59 N 1.66 1.41 -1.31 2.70 2.96 -1.02 -4.81 118.68 120.27 1x3h s LEU 59 Ca 0.05 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 1x3h s LEU 59 Cb -0.19 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1x3h s LEU 59 CO 0.10 -0.23 1.07 -0.67 -1.32 0.00 0.00 176.35 175.29 1x3h n ASP 60 N 4.96 -4.22 -2.92 3.68 2.03 -1.26 -1.81 116.55 117.00 1x3h n ASP 60 Ca -0.10 -0.61 -0.20 0.00 0.52 0.00 0.00 54.79 54.40 1x3h n ASP 60 Cb 0.47 -4.91 0.01 0.00 -0.72 0.00 0.00 41.12 35.97 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 -1.62 -0.50 2.95 0.27 0.00 -1.26 -4.96 105.19 100.07 1x3h n GLY 61 Ca -0.13 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.57 0.12 -0.11 1.61 0.52 -0.75 -5.13 118.95 109.64 1x3h s ARG 62 Ca 0.23 0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 55.53 1x3h s ARG 62 Cb -0.11 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1x3h s ARG 62 CO 0.28 -0.15 1.54 -1.25 0.02 0.00 0.00 175.30 175.73 1x3h s PRO 63 N 1.11 4.14 0.34 3.54 0.04 -1.26 -2.43 135.00 140.48 1x3h s PRO 63 Ca -0.09 1.96 0.04 0.00 0.04 0.00 0.00 61.00 62.96 1x3h s PRO 63 Cb -0.11 -3.93 -0.07 0.00 0.04 0.00 0.00 34.50 30.44 1x3h s PRO 63 CO -0.06 -0.87 0.05 -0.06 0.04 0.00 0.00 177.00 176.10 1x3h s PHE 64 N 4.04 2.06 -0.17 0.56 0.08 -1.11 -2.69 117.98 120.75 1x3h s PHE 64 Ca 0.68 -0.90 -0.13 0.00 0.12 0.00 0.00 56.93 56.70 1x3h s PHE 64 Cb -0.29 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1x3h s PHE 64 CO 0.25 0.09 0.24 0.00 -0.10 0.00 0.00 175.22 175.70 1x3h n GLU 66 N 3.57 -0.13 -0.14 0.00 2.13 -1.26 0.14 120.64 124.95 1x3h n GLU 66 Ca -0.13 0.64 -0.04 0.00 0.66 0.00 0.00 57.16 58.29 1x3h n GLU 66 Cb 0.52 -0.94 -0.03 0.00 0.27 0.00 0.00 31.44 31.25 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 -4.58 -0.36 -0.09 4.31 0.00 -1.26 -1.25 117.00 113.77 1x3h n LEU 67 Ca 0.03 1.14 -0.12 0.00 0.00 0.00 0.00 56.01 57.06 1x3h n LEU 67 Cb 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 43.42 43.17 1x3h n LEU 67 CO -0.06 -0.76 0.67 0.45 0.00 0.00 0.00 177.39 177.69 1x3h h HIS 68 N 0.00 0.60 -0.65 1.96 3.86 -0.71 -3.13 115.15 117.08 1x3h h HIS 68 Ca 0.05 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1x3h h HIS 68 Cb 0.14 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 1x3h h HIS 68 CO -0.86 0.77 -0.37 0.98 0.86 0.00 0.00 177.93 179.31 1x3h n TYR 69 N -4.49 -0.26 0.25 2.45 9.36 0.83 0.02 117.16 125.32 1x3h n TYR 69 Ca -0.04 0.81 -0.15 0.00 3.32 0.00 0.00 57.90 61.84 1x3h n TYR 69 Cb 0.34 -0.57 -0.08 0.00 -0.63 0.00 0.00 39.34 38.40 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 -0.58 -1.08 2.98 3.86 -1.40 -2.69 115.15 116.24 1x3h h HIS 70 Ca 0.12 -0.01 0.37 0.00 -1.16 0.00 0.00 60.37 59.68 1x3h h HIS 70 Cb 0.28 0.19 -0.15 0.00 1.06 0.00 0.00 27.41 28.79 1x3h h HIS 70 CO -0.66 -0.28 0.64 1.25 0.86 0.00 0.00 177.93 179.73 1x3h h HIS 71 N -0.78 0.79 -0.41 2.45 -0.00 -0.56 0.76 115.15 117.39 1x3h h HIS 71 Ca -0.06 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.23 1x3h h HIS 71 Cb 0.55 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1x3h h HIS 71 CO -0.01 -0.24 -0.16 0.00 -0.00 0.00 0.00 177.93 177.51 1x3h h ARG 72 N 0.19 0.83 -0.75 5.26 3.08 -0.18 -3.15 114.38 119.66 1x3h h ARG 72 Ca 0.78 -0.35 0.16 0.00 0.07 0.00 0.00 59.98 60.64 1x3h h ARG 72 Cb 2.03 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.91 1x3h h ARG 72 CO -0.58 0.98 -0.12 0.00 -1.07 0.00 0.00 179.97 179.18 1x3h h ARG 73 N 0.65 0.03 -6.04 0.04 2.47 0.86 -3.36 114.38 109.03 1x3h h ARG 73 Ca 0.10 -0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.27 1x3h h ARG 73 Cb 0.71 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.01 1x3h h ARG 73 CO 0.05 0.02 1.40 0.20 0.56 0.00 0.00 179.97 182.20 1x3h s GLY 74 N -3.74 0.40 -0.05 0.04 0.00 -1.15 -4.96 107.32 97.86 1x3h s GLY 74 Ca -0.14 0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 1x3h s GLY 74 CO 0.75 3.56 0.42 -0.56 0.00 0.00 0.00 173.10 177.27 1x3h s SER 75 N 8.01 6.75 0.00 1.64 0.01 -1.26 -5.01 113.70 123.85 1x3h s SER 75 Ca 0.84 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1x3h s SER 75 Cb -0.21 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1x3h s SER 75 CO 0.30 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1x3h n GLY 76 N 2.40 4.30 3.58 3.44 0.00 -1.26 -5.14 105.19 112.50 1x3h n GLY 76 Ca -0.12 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1x3h n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3h s PRO 77 N -2.91 -1.51 -0.32 1.61 0.04 -1.26 -5.00 135.00 125.64 1x3h s PRO 77 Ca 0.00 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 60.95 1x3h s PRO 77 Cb 0.00 -1.57 0.46 0.00 0.04 0.00 0.00 34.50 33.42 1x3h s PRO 77 CO 0.00 -3.88 1.16 -1.13 0.04 0.00 0.00 177.00 173.19 1x3h n SER 78 N -4.86 4.54 -4.40 6.66 3.41 -1.26 -5.08 113.62 112.63 1x3h n SER 78 Ca 0.15 -3.58 -0.32 0.00 -0.26 0.00 0.00 58.87 54.86 1x3h n SER 78 Cb 0.60 -0.38 0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1x3h n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x3h n SER 79 N -0.63 -1.88 0.00 4.04 2.88 -1.26 -5.37 113.62 111.39 1x3h n SER 79 Ca 0.39 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1x3h n SER 79 Cb 0.89 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1x3h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42