#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 -0.26 -0.16 1.61 1.04 -1.26 -5.16 113.70 109.52 1x3h s SER 2 Ca 0.00 0.79 -0.28 0.00 0.48 0.00 0.00 55.95 56.93 1x3h s SER 2 Cb 0.00 0.81 0.08 0.00 0.10 0.00 0.00 66.02 67.01 1x3h s SER 2 CO 0.00 -0.20 0.75 -0.44 0.98 0.00 0.00 173.24 174.33 1x3h s SER 3 N 1.81 -0.65 0.00 7.02 0.01 -1.26 -5.14 113.70 115.49 1x3h s SER 3 Ca -0.06 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1x3h s SER 3 Cb -0.10 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1x3h s SER 3 CO -0.11 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x3h n GLY 4 N 1.63 3.24 3.15 3.44 0.00 -1.26 -5.16 105.19 110.22 1x3h n GLY 4 Ca -0.16 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.66 1x3h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 5 N 0.00 -1.04 0.17 1.61 0.01 -1.26 -5.17 113.70 108.02 1x3h s SER 5 Ca 0.00 0.52 0.10 0.00 1.31 0.00 0.00 55.95 57.89 1x3h s SER 5 Cb 0.00 1.82 -0.04 0.00 0.21 0.00 0.00 66.02 68.01 1x3h s SER 5 CO 0.00 -0.19 -0.22 -0.44 0.41 0.00 0.00 173.24 172.79 1x3h s SER 6 N 2.89 3.13 0.00 2.44 0.01 -1.26 -5.10 113.70 115.82 1x3h s SER 6 Ca 0.13 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1x3h s SER 6 Cb -0.12 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1x3h s SER 6 CO -0.19 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1x3h n GLY 7 N 0.37 -0.70 3.26 3.44 0.00 -1.26 -5.16 105.19 105.14 1x3h n GLY 7 Ca -0.14 0.75 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 1x3h n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3h s LYS 8 N 0.00 2.80 -0.03 1.61 -0.14 -1.26 -5.12 119.74 117.60 1x3h s LYS 8 Ca 0.00 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 1x3h s LYS 8 Cb 0.00 -2.25 0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1x3h s LYS 8 CO 0.00 0.29 -0.00 0.16 -0.76 0.00 0.00 175.35 175.04 1x3h s ASP 9 N 0.06 0.45 0.08 2.83 1.47 -1.26 -5.15 116.67 115.16 1x3h s ASP 9 Ca -0.10 -0.03 -0.18 0.00 1.18 0.00 0.00 52.55 53.42 1x3h s ASP 9 Cb -0.16 -0.23 0.04 0.00 -0.34 0.00 0.00 42.92 42.24 1x3h s ASP 9 CO 0.06 -0.10 0.44 -0.36 0.68 0.00 0.00 175.17 175.89 1x3h s PHE 10 N 1.03 -0.28 -1.20 2.11 0.08 -1.26 -4.92 117.98 113.54 1x3h s PHE 10 Ca -0.10 0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.95 1x3h s PHE 10 Cb -0.14 0.27 0.15 0.00 -0.57 0.00 0.00 43.02 42.74 1x3h s PHE 10 CO -0.02 -0.64 0.38 1.47 -0.10 0.00 0.00 175.22 176.30 1x3h n LEU 11 N 0.18 -0.53 -0.27 -0.37 -0.00 -1.26 -4.71 117.00 110.04 1x3h n LEU 11 Ca -0.17 -0.80 0.08 0.00 -0.00 0.00 0.00 56.01 55.12 1x3h n LEU 11 Cb 0.62 -1.02 0.21 0.00 -0.00 0.00 0.00 43.42 43.23 1x3h n LEU 11 CO 0.19 0.07 0.91 0.00 -0.00 0.00 0.00 177.39 178.55 1x3h h ALA 12 N 1.28 1.02 -2.29 1.47 0.00 -2.02 -3.40 119.26 115.32 1x3h h ALA 12 Ca -0.38 0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.25 1x3h h ALA 12 Cb 0.89 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x3h h ALA 12 CO 0.57 -0.40 0.16 0.00 0.00 0.00 0.00 179.25 179.58 1x3h s MET 13 N -6.03 3.85 -0.16 0.00 0.23 -1.26 -5.01 119.30 110.93 1x3h s MET 13 Ca -0.13 0.60 0.01 0.00 -1.03 0.00 0.00 55.69 55.15 1x3h s MET 13 Cb 0.23 -2.35 -0.10 0.00 -1.53 0.00 0.00 34.83 31.08 1x3h s MET 13 CO 0.76 -0.05 -0.14 1.19 -2.03 0.00 0.00 175.02 174.75 1x3h n PHE 14 N -1.19 0.00 -3.70 3.16 3.72 -1.26 -5.02 117.46 113.18 1x3h n PHE 14 Ca 0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.15 1x3h n PHE 14 Cb 0.54 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1x3h s SER 15 N -5.53 6.41 1.04 4.37 0.01 -1.26 -5.10 113.70 113.64 1x3h s SER 15 Ca -0.21 0.45 -0.13 0.00 1.31 0.00 0.00 55.95 57.36 1x3h s SER 15 Cb 0.05 -2.03 0.21 0.00 0.21 0.00 0.00 66.02 64.46 1x3h s SER 15 CO 0.36 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.94 1x3h s PRO 16 N -3.10 0.12 0.05 12.44 0.04 -1.26 -4.96 135.00 138.33 1x3h s PRO 16 Ca 0.39 0.42 -0.04 0.00 0.04 0.00 0.00 61.00 61.81 1x3h s PRO 16 Cb -0.11 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1x3h s PRO 16 CO 0.28 -2.92 0.05 0.15 0.04 0.00 0.00 177.00 174.60 1x3h s LYS 17 N -5.01 0.63 0.39 4.56 1.02 -1.26 -3.46 119.74 116.61 1x3h s LYS 17 Ca 0.66 -0.99 -0.27 0.00 0.02 0.00 0.00 55.97 55.40 1x3h s LYS 17 Cb -0.18 0.23 -0.11 0.00 -0.52 0.00 0.00 37.83 37.26 1x3h s LYS 17 CO 0.58 -0.15 1.33 0.00 -0.92 0.00 0.00 175.35 176.18 1x3h n GLY 19 N 0.72 2.47 0.92 0.00 0.00 -0.98 -1.80 105.19 106.53 1x3h n GLY 19 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.25 -0.09 0.00 -0.02 0.00 -1.26 -4.92 105.19 100.15 1x3h n GLY 20 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.37 -5.58 -4.85 0.00 4.13 -0.74 -4.97 115.26 101.89 1x3h n ASN 22 Ca 0.02 -0.19 -0.30 0.00 1.68 0.00 0.00 54.58 55.79 1x3h n ASN 22 Cb 0.22 -4.47 -0.05 0.00 -1.54 0.00 0.00 39.78 33.94 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x3h s ARG 23 N -5.40 3.16 -0.42 3.52 0.52 -1.26 -4.77 118.95 114.30 1x3h s ARG 23 Ca 0.20 -0.59 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 1x3h s ARG 23 Cb -0.09 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1x3h s ARG 23 CO 0.24 0.58 1.74 -1.25 0.02 0.00 0.00 175.30 176.63 1x3h s PRO 24 N -2.54 3.20 0.03 3.54 0.04 -1.26 -0.93 135.00 137.07 1x3h s PRO 24 Ca 0.32 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 1x3h s PRO 24 Cb -0.12 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.14 1x3h s PRO 24 CO 0.25 -2.03 0.58 0.14 0.04 0.00 0.00 177.00 175.98 1x3h s VAL 25 N 7.18 4.84 0.22 -0.36 -7.23 -1.22 -4.95 120.40 118.89 1x3h s VAL 25 Ca 0.73 1.22 0.00 0.00 -1.81 0.00 0.00 61.98 62.12 1x3h s VAL 25 Cb -0.18 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.85 1x3h s VAL 25 CO 0.30 0.48 0.00 0.18 -0.31 0.00 0.00 175.10 175.75 1x3h n LEU 26 N 2.30 0.29 -4.73 1.32 4.32 -1.26 -4.86 117.00 114.38 1x3h n LEU 26 Ca -0.09 0.36 -0.35 0.00 -0.02 0.00 0.00 56.01 55.92 1x3h n LEU 26 Cb 0.51 0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 42.37 1x3h n LEU 26 CO 0.42 -0.78 -0.23 -1.83 -1.22 0.00 0.00 177.39 173.76 1x3h s GLU 27 N -2.00 3.62 -0.95 3.23 -1.05 -1.26 -4.52 118.70 115.76 1x3h s GLU 27 Ca 0.00 -0.28 -0.02 0.00 -0.15 0.00 0.00 54.97 54.52 1x3h s GLU 27 Cb 0.00 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.53 1x3h s GLU 27 CO 0.00 0.53 0.81 -1.71 0.95 0.00 0.00 175.26 175.84 1x3h n ASN 28 N 2.75 -3.55 -4.43 0.83 2.85 -1.26 -5.03 115.26 107.41 1x3h n ASN 28 Ca -0.18 -0.55 -0.29 0.00 -0.11 0.00 0.00 54.58 53.45 1x3h n ASN 28 Cb 0.53 -4.40 -0.12 0.00 1.24 0.00 0.00 39.78 37.03 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1x3h s TYR 29 N -3.31 2.40 0.39 1.20 1.13 -1.26 -4.12 117.35 113.78 1x3h s TYR 29 Ca 0.15 -0.33 0.08 0.00 -1.41 0.00 0.00 57.07 55.55 1x3h s TYR 29 Cb -0.02 -1.29 -0.01 0.00 -1.10 0.00 0.00 41.96 39.54 1x3h s TYR 29 CO 0.61 0.36 0.44 -0.51 -2.51 0.00 0.00 175.55 173.94 1x3h s LEU 30 N -2.10 3.60 -0.32 -3.49 1.02 -0.98 -4.94 118.68 111.48 1x3h s LEU 30 Ca 0.16 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 1x3h s LEU 30 Cb -0.10 -2.38 0.11 0.00 0.02 0.00 0.00 46.19 43.83 1x3h s LEU 30 CO 0.08 -0.60 0.13 -0.44 0.02 0.00 0.00 176.35 175.53 1x3h s SER 31 N -4.18 3.77 0.13 2.29 0.01 -1.26 -1.80 113.70 112.65 1x3h s SER 31 Ca 0.49 -1.68 0.05 0.00 1.31 0.00 0.00 55.95 56.11 1x3h s SER 31 Cb -0.07 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1x3h s SER 31 CO 0.30 -0.40 -0.11 0.00 0.41 0.00 0.00 173.24 173.44 1x3h s ALA 32 N 1.59 1.42 -1.64 1.44 0.00 0.13 -4.81 121.76 119.89 1x3h s ALA 32 Ca 0.11 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 1x3h s ALA 32 Cb -0.18 0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.07 1x3h s ALA 32 CO -0.24 -0.03 0.73 -1.33 0.00 0.00 0.00 175.76 174.90 1x3h n MET 33 N 0.14 -3.36 -2.28 0.00 2.81 -1.26 0.99 117.12 114.15 1x3h n MET 33 Ca -0.13 0.39 -0.18 0.00 -1.81 0.00 0.00 57.70 55.98 1x3h n MET 33 Cb 0.59 -5.02 -0.02 0.00 -0.71 0.00 0.00 33.22 28.06 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 -2.73 -5.16 -3.26 7.83 8.00 -1.26 -4.93 116.55 115.04 1x3h n ASP 34 Ca 0.00 0.12 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1x3h n ASP 34 Cb 0.53 -4.36 -0.05 0.00 -0.02 0.00 0.00 41.12 37.21 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 -2.84 0.00 0.16 -3.53 -1.32 0.28 -5.17 115.64 103.21 1x3h s THR 35 Ca 0.00 -1.74 0.05 0.00 -1.21 0.00 0.00 61.69 58.80 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 0.09 0.68 -2.21 0.00 0.00 174.62 173.18 1x3h s VAL 36 N -3.16 4.30 0.34 5.08 -7.23 -1.26 0.21 120.40 118.68 1x3h s VAL 36 Ca 0.34 -1.13 0.05 0.00 -1.81 0.00 0.00 61.98 59.44 1x3h s VAL 36 Cb 0.01 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 1x3h s VAL 36 CO 0.23 -0.08 0.33 0.26 -0.31 0.00 0.00 175.10 175.53 1x3h s TRP 37 N -1.70 1.61 -0.06 2.82 0.52 -0.75 -2.31 118.94 119.08 1x3h s TRP 37 Ca 0.30 -1.59 0.00 0.00 0.02 0.00 0.00 56.10 54.83 1x3h s TRP 37 Cb -0.10 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1x3h s TRP 37 CO 0.22 -0.94 -0.03 -1.01 0.02 0.00 0.00 176.95 175.21 1x3h s HIS 38 N -3.32 3.05 -2.00 -1.98 3.76 -1.26 -2.31 115.29 111.22 1x3h s HIS 38 Ca 0.38 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1x3h s HIS 38 Cb 0.02 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.98 1x3h s HIS 38 CO 0.26 0.41 0.49 -0.35 -0.85 0.00 0.00 174.74 174.70 1x3h n PRO 39 N 2.01 0.49 0.00 8.40 -0.04 -1.26 -1.07 135.00 143.52 1x3h n PRO 39 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1x3h n PRO 39 Cb 0.53 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.50 2.30 -0.01 0.54 0.28 -1.26 -4.83 120.64 117.15 1x3h n GLU 40 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1x3h n GLU 40 Cb 0.00 -0.82 -0.14 0.00 1.43 0.00 0.00 31.44 31.91 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 -3.71 0.59 -4.17 0.00 7.35 -0.23 -4.80 117.46 112.49 1x3h n PHE 42 Ca -0.31 -0.04 -0.11 0.00 -0.76 0.00 0.00 57.45 56.23 1x3h n PHE 42 Cb 0.97 -1.68 -0.10 0.00 0.35 0.00 0.00 39.48 39.02 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 8.89 0.11 1.06 -2.13 -7.23 -1.26 -3.83 120.40 116.01 1x3h s VAL 43 Ca 0.84 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 1x3h s VAL 43 Cb -0.28 -2.20 0.13 0.00 0.56 0.00 0.00 36.38 34.59 1x3h s VAL 43 CO 0.22 -0.32 0.48 0.00 -0.31 0.00 0.00 175.10 175.17 1x3h n GLY 45 N 1.43 -1.17 0.14 0.00 0.00 -1.19 -3.32 105.19 101.09 1x3h n GLY 45 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.52 1.11 0.14 1.61 8.00 -1.26 -4.63 116.55 119.00 1x3h n ASP 46 Ca -0.06 0.19 0.13 0.00 0.71 0.00 0.00 54.79 55.75 1x3h n ASP 46 Cb 0.66 -0.60 0.33 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.54 -1.95 -3.82 0.00 3.72 -1.21 -4.92 117.46 106.74 1x3h n PHE 48 Ca 0.05 0.84 -0.34 0.00 -0.05 0.00 0.00 57.45 57.95 1x3h n PHE 48 Cb 0.46 -4.07 -0.05 0.00 -0.94 0.00 0.00 39.48 34.88 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 -3.61 5.36 0.85 4.37 -1.32 -1.26 -4.60 115.64 115.43 1x3h s THR 49 Ca 0.22 0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 60.59 1x3h s THR 49 Cb -0.11 -3.56 0.08 0.00 -1.51 0.00 0.00 72.50 67.40 1x3h s THR 49 CO 0.84 0.33 0.98 -0.24 -2.21 0.00 0.00 174.62 174.32 1x3h n SER 50 N 0.99 0.08 -4.13 8.08 2.88 -1.26 -2.12 113.62 118.14 1x3h n SER 50 Ca -0.11 0.50 -0.38 0.00 -1.33 0.00 0.00 58.87 57.56 1x3h n SER 50 Cb 0.53 -1.42 -0.07 0.00 -0.75 0.00 0.00 64.21 62.50 1x3h n SER 50 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x3h s PHE 51 N -2.28 3.68 0.21 0.66 0.08 -1.25 -4.87 117.98 114.20 1x3h s PHE 51 Ca 0.68 -2.77 0.05 0.00 0.12 0.00 0.00 56.93 55.01 1x3h s PHE 51 Cb -0.27 -3.31 -0.05 0.00 -0.57 0.00 0.00 43.02 38.83 1x3h s PHE 51 CO 0.56 -0.82 -0.06 -1.12 -0.10 0.00 0.00 175.22 173.68 1x3h s SER 52 N 0.50 2.09 -0.41 1.36 0.01 -1.26 -4.77 113.70 111.22 1x3h s SER 52 Ca 0.22 -1.12 -0.05 0.00 1.31 0.00 0.00 55.95 56.31 1x3h s SER 52 Cb -0.13 -0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.10 1x3h s SER 52 CO -0.08 -0.38 0.13 1.07 0.41 0.00 0.00 173.24 174.39 1x3h n THR 53 N -0.38 -0.01 -3.30 1.44 5.66 -1.26 -4.80 114.28 111.63 1x3h n THR 53 Ca -0.07 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.96 1x3h n THR 53 Cb 0.62 -0.13 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 1x3h n THR 53 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x3h s GLY 54 N -2.26 -0.15 -0.02 1.09 0.00 -1.26 -5.13 107.32 99.59 1x3h s GLY 54 Ca 0.18 3.08 -0.32 0.00 0.00 0.00 0.00 44.72 47.66 1x3h s GLY 54 CO 0.22 3.39 1.92 1.44 0.00 0.00 0.00 173.10 180.06 1x3h n SER 55 N 5.01 3.80 -4.43 1.64 7.64 -1.26 -4.94 113.62 121.09 1x3h n SER 55 Ca -0.08 0.94 -0.30 0.00 1.01 0.00 0.00 58.87 60.44 1x3h n SER 55 Cb 0.53 -1.45 0.21 0.00 -1.01 0.00 0.00 64.21 62.49 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 6.93 -1.09 -4.85 1.43 1.16 -1.26 -4.93 117.46 114.85 1x3h n PHE 56 Ca 0.21 0.04 -0.28 0.00 -1.87 0.00 0.00 57.45 55.55 1x3h n PHE 56 Cb 0.35 -1.70 -0.17 0.00 -1.61 0.00 0.00 39.48 36.35 1x3h n PHE 56 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1x3h s PHE 57 N -2.38 1.90 -0.48 2.97 0.08 -1.18 -5.03 117.98 113.86 1x3h s PHE 57 Ca 0.63 -0.72 -0.22 0.00 0.12 0.00 0.00 56.93 56.74 1x3h s PHE 57 Cb -0.21 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1x3h s PHE 57 CO 0.65 -0.32 0.76 -2.00 -0.10 0.00 0.00 175.22 174.21 1x3h s GLU 58 N 0.48 3.31 -0.23 0.44 2.12 -1.26 -2.23 118.70 121.33 1x3h s GLU 58 Ca -0.15 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 1x3h s GLU 58 Cb -0.16 -3.99 0.06 0.00 0.26 0.00 0.00 34.13 30.30 1x3h s GLU 58 CO 0.06 -1.19 -0.00 -1.17 -0.54 0.00 0.00 175.26 172.42 1x3h s LEU 59 N 3.21 1.98 -1.06 2.70 2.96 -0.97 -4.79 118.68 122.72 1x3h s LEU 59 Ca 0.26 -1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 1x3h s LEU 59 Cb -0.14 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.65 1x3h s LEU 59 CO 0.19 -0.28 0.80 -0.67 -1.32 0.00 0.00 176.35 175.07 1x3h n ASP 60 N 4.84 -5.25 -2.64 3.68 2.03 -1.26 -2.43 116.55 115.52 1x3h n ASP 60 Ca -0.10 -0.37 -0.21 0.00 0.52 0.00 0.00 54.79 54.64 1x3h n ASP 60 Cb 0.45 -3.90 0.02 0.00 -0.72 0.00 0.00 41.12 36.96 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 -1.58 -0.47 3.02 0.27 0.00 -1.26 -4.99 105.19 100.18 1x3h n GLY 61 Ca -0.01 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.37 0.17 -0.22 1.61 0.52 -1.02 -5.12 118.95 109.52 1x3h s ARG 62 Ca 0.16 0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 55.44 1x3h s ARG 62 Cb -0.07 -0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.33 1x3h s ARG 62 CO 0.20 -0.10 1.62 -1.25 0.02 0.00 0.00 175.30 175.78 1x3h s PRO 63 N 0.73 3.78 0.27 3.54 0.04 -1.26 -2.30 135.00 139.80 1x3h s PRO 63 Ca -0.05 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.73 1x3h s PRO 63 Cb -0.07 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 1x3h s PRO 63 CO -0.04 -1.31 -0.15 -0.06 0.04 0.00 0.00 177.00 175.48 1x3h s PHE 64 N 5.23 2.10 -0.12 0.56 0.08 -0.95 -3.14 117.98 121.74 1x3h s PHE 64 Ca 0.71 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.19 1x3h s PHE 64 Cb -0.25 -1.00 -0.05 0.00 -0.57 0.00 0.00 43.02 41.15 1x3h s PHE 64 CO 0.29 0.55 0.22 0.00 -0.10 0.00 0.00 175.22 176.18 1x3h n GLU 66 N 2.60 -0.17 -0.24 0.00 2.13 -1.26 0.81 120.64 124.50 1x3h n GLU 66 Ca -0.16 0.63 -0.06 0.00 0.66 0.00 0.00 57.16 58.22 1x3h n GLU 66 Cb 0.53 -0.92 -0.06 0.00 0.27 0.00 0.00 31.44 31.26 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 -4.38 -0.61 0.09 4.31 7.94 -1.26 -0.50 117.00 122.58 1x3h n LEU 67 Ca 0.01 1.31 -0.09 0.00 -1.11 0.00 0.00 56.01 56.13 1x3h n LEU 67 Cb 0.10 -0.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.72 1x3h n LEU 67 CO -0.06 -0.98 0.29 0.45 -1.11 0.00 0.00 177.39 175.97 1x3h h HIS 68 N 0.00 -0.29 -0.60 1.96 3.86 -0.46 -3.22 115.15 116.40 1x3h h HIS 68 Ca 0.09 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1x3h h HIS 68 Cb 0.24 0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 1x3h h HIS 68 CO -0.86 0.03 -0.35 0.98 0.86 0.00 0.00 177.93 178.58 1x3h n TYR 69 N -4.98 -0.26 -0.30 2.45 4.19 0.24 0.24 117.16 118.74 1x3h n TYR 69 Ca -0.07 0.75 0.06 0.00 3.31 0.00 0.00 57.90 61.96 1x3h n TYR 69 Cb 0.22 -0.54 0.22 0.00 0.49 0.00 0.00 39.34 39.73 1x3h n TYR 69 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1x3h h HIS 70 N 0.00 0.82 -0.50 2.98 3.86 -0.92 0.25 115.15 121.65 1x3h h HIS 70 Ca 0.10 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1x3h h HIS 70 Cb 0.25 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1x3h h HIS 70 CO -0.64 0.24 0.07 1.25 0.86 0.00 0.00 177.93 179.71 1x3h h HIS 71 N 0.69 0.89 0.58 2.45 -0.00 0.31 -2.78 115.15 117.29 1x3h h HIS 71 Ca 0.46 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.67 1x3h h HIS 71 Cb 0.59 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1x3h h HIS 71 CO -0.07 0.81 -0.28 0.00 -0.00 0.00 0.00 177.93 178.39 1x3h h ARG 72 N 0.71 -0.75 -1.25 5.26 3.08 0.10 -2.97 114.38 118.57 1x3h h ARG 72 Ca 0.15 0.05 0.36 0.00 0.07 0.00 0.00 59.98 60.61 1x3h h ARG 72 Cb 0.41 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1x3h h ARG 72 CO 0.01 -0.45 0.99 0.07 -1.07 0.00 0.00 179.97 179.52 1x3h h ARG 73 N -1.11 0.00 0.00 0.04 0.11 -0.61 -3.40 114.38 109.41 1x3h h ARG 73 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1x3h h ARG 73 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1x3h h ARG 73 CO 0.13 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.61 1x3h n GLY 74 N -1.76 -0.18 3.66 0.08 0.00 -1.05 -4.82 105.19 101.12 1x3h n GLY 74 Ca 0.27 -1.38 -0.66 0.00 0.00 0.00 0.00 46.02 44.26 1x3h n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x3h n SER 75 N 0.00 1.20 -3.71 1.61 3.41 -1.26 -4.89 113.62 109.98 1x3h n SER 75 Ca 0.00 1.09 -0.06 0.00 -0.26 0.00 0.00 58.87 59.63 1x3h n SER 75 Cb 0.00 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.04 1x3h n SER 75 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x3h s GLY 76 N 3.60 -0.05 0.51 5.00 0.00 -1.26 -4.87 107.32 110.25 1x3h s GLY 76 Ca 1.07 -0.29 0.33 0.00 0.00 0.00 0.00 44.72 45.83 1x3h s GLY 76 CO 0.78 -0.04 1.96 -0.56 0.00 0.00 0.00 173.10 175.24 1x3h h PRO 77 N 2.00 0.00 -4.60 2.90 0.13 -1.94 -3.45 132.00 127.04 1x3h h PRO 77 Ca -0.22 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.69 1x3h h PRO 77 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 1x3h h PRO 77 CO 0.26 0.00 -0.68 0.45 -0.23 0.00 0.00 178.00 177.80 1x3h s SER 78 N -5.46 0.97 -0.49 1.44 0.15 -1.26 -5.05 113.70 104.00 1x3h s SER 78 Ca 0.01 -1.07 -0.02 0.00 0.70 0.00 0.00 55.95 55.58 1x3h s SER 78 Cb 0.09 0.14 0.27 0.00 -1.71 0.00 0.00 66.02 64.81 1x3h s SER 78 CO 0.52 -0.54 2.16 -0.24 1.20 0.00 0.00 173.24 176.34 1x3h n SER 79 N -0.07 6.94 0.00 5.45 2.88 -1.26 -5.02 113.62 122.53 1x3h n SER 79 Ca -0.10 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 54.06 1x3h n SER 79 Cb 0.62 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1x3h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42