#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 2.16 0.29 1.61 0.15 -1.26 -5.14 113.70 111.52 1x3h s SER 2 Ca 0.00 -0.61 -0.03 0.00 0.70 0.00 0.00 55.95 56.01 1x3h s SER 2 Cb 0.00 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1x3h s SER 2 CO 0.00 -0.36 0.37 -0.44 1.20 0.00 0.00 173.24 174.01 1x3h s SER 3 N 2.22 0.68 -0.33 5.45 0.01 -1.26 -5.13 113.70 115.33 1x3h s SER 3 Ca 0.06 -1.40 -0.06 0.00 1.31 0.00 0.00 55.95 55.86 1x3h s SER 3 Cb -0.16 0.57 0.23 0.00 0.21 0.00 0.00 66.02 66.88 1x3h s SER 3 CO -0.17 -1.14 1.15 0.61 0.41 0.00 0.00 173.24 174.10 1x3h n GLY 4 N -0.48 -1.74 2.95 3.44 0.00 -1.26 -5.13 105.19 102.97 1x3h n GLY 4 Ca 0.02 1.22 -0.31 0.00 0.00 0.00 0.00 46.02 46.95 1x3h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3h s SER 5 N 0.57 4.10 -0.13 1.61 1.04 -1.26 -5.08 113.70 114.54 1x3h s SER 5 Ca 0.24 -1.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.22 1x3h s SER 5 Cb 0.16 -1.27 0.07 0.00 0.10 0.00 0.00 66.02 65.07 1x3h s SER 5 CO -0.10 -0.27 0.21 -0.44 0.98 0.00 0.00 173.24 173.62 1x3h s SER 6 N 1.30 0.81 0.00 7.02 0.01 -1.26 -5.13 113.70 116.45 1x3h s SER 6 Ca -0.02 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1x3h s SER 6 Cb -0.19 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1x3h s SER 6 CO -0.08 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1x3h n GLY 7 N 5.33 3.57 3.15 3.44 0.00 -1.26 -5.16 105.19 114.27 1x3h n GLY 7 Ca -0.05 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.32 0.30 -0.29 1.61 -0.14 -1.26 -5.15 119.74 112.49 1x3h s LYS 8 Ca 0.00 0.58 -0.12 0.00 -1.36 0.00 0.00 55.97 55.07 1x3h s LYS 8 Cb 0.00 -0.02 0.12 0.00 -1.68 0.00 0.00 37.83 36.24 1x3h s LYS 8 CO 0.00 -0.13 0.69 0.16 -0.76 0.00 0.00 175.35 175.31 1x3h s ASP 9 N 1.05 -1.04 0.49 2.83 -4.77 -1.26 -5.18 116.67 108.80 1x3h s ASP 9 Ca -0.07 1.50 0.04 0.00 -3.30 0.00 0.00 52.55 50.71 1x3h s ASP 9 Cb -0.08 1.96 -0.01 0.00 -1.09 0.00 0.00 42.92 43.70 1x3h s ASP 9 CO -0.08 -0.22 0.15 0.12 0.70 0.00 0.00 175.17 175.84 1x3h s PHE 10 N 2.44 2.01 -0.81 2.11 5.36 -1.26 -5.01 117.98 122.82 1x3h s PHE 10 Ca -0.07 -0.83 -0.27 0.00 -0.96 0.00 0.00 56.93 54.81 1x3h s PHE 10 Cb -0.09 -1.78 -0.18 0.00 -0.34 0.00 0.00 43.02 40.63 1x3h s PHE 10 CO -0.19 0.05 2.52 -0.11 -1.46 0.00 0.00 175.22 176.03 1x3h n LEU 11 N -1.37 0.92 -4.27 6.12 7.94 -1.26 -4.89 117.00 120.19 1x3h n LEU 11 Ca -0.10 -0.26 -0.33 0.00 -1.11 0.00 0.00 56.01 54.21 1x3h n LEU 11 Cb 0.66 -1.17 -0.16 0.00 0.53 0.00 0.00 43.42 43.29 1x3h n LEU 11 CO 0.41 -1.24 -0.49 0.00 -1.11 0.00 0.00 177.39 174.95 1x3h s ALA 12 N 9.63 2.43 0.02 1.96 0.00 -1.26 -5.11 121.76 129.43 1x3h s ALA 12 Ca 1.19 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 1x3h s ALA 12 Cb -0.76 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1x3h s ALA 12 CO 0.39 0.09 0.15 0.00 0.00 0.00 0.00 175.76 176.39 1x3h s MET 13 N 0.62 0.55 0.00 0.00 0.23 -1.26 -5.05 119.30 114.39 1x3h s MET 13 Ca -0.09 -0.50 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 1x3h s MET 13 Cb -0.16 0.23 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 1x3h s MET 13 CO 0.03 -0.14 0.00 1.19 -2.03 0.00 0.00 175.02 174.07 1x3h n PHE 14 N 1.17 0.00 -4.12 3.16 3.72 -1.26 -5.10 117.46 115.03 1x3h n PHE 14 Ca -0.21 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.05 1x3h n PHE 14 Cb 0.57 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.00 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 -3.05 1.11 0.88 4.37 0.01 -1.26 -5.16 113.70 110.61 1x3h s SER 15 Ca 0.00 -0.70 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 1x3h s SER 15 Cb 0.00 0.04 0.12 0.00 0.21 0.00 0.00 66.02 66.39 1x3h s SER 15 CO 0.00 -0.26 1.09 -2.16 0.41 0.00 0.00 173.24 172.32 1x3h s PRO 16 N -2.31 1.37 -0.01 12.44 0.04 -1.26 -4.98 135.00 140.28 1x3h s PRO 16 Ca -0.02 0.86 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 1x3h s PRO 16 Cb -0.05 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1x3h s PRO 16 CO -0.01 -2.18 0.16 0.15 0.04 0.00 0.00 177.00 175.16 1x3h s LYS 17 N -4.93 0.43 0.22 4.56 1.02 -1.26 -3.44 119.74 116.35 1x3h s LYS 17 Ca 0.63 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.08 1x3h s LYS 17 Cb -0.18 0.18 -0.16 0.00 -0.52 0.00 0.00 37.83 37.16 1x3h s LYS 17 CO 0.57 -0.10 0.89 0.00 -0.92 0.00 0.00 175.35 175.78 1x3h n GLY 19 N 1.64 2.38 2.07 0.00 0.00 -1.05 -2.22 105.19 108.00 1x3h n GLY 19 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.33 -0.75 0.06 -0.02 0.00 -1.26 -4.91 105.19 99.64 1x3h n GLY 20 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.30 -6.18 -4.63 0.00 4.13 -0.94 -4.99 115.26 101.35 1x3h n ASN 22 Ca 0.06 -0.52 -0.30 0.00 1.68 0.00 0.00 54.58 55.50 1x3h n ASN 22 Cb 0.34 -4.84 -0.09 0.00 -1.54 0.00 0.00 39.78 33.66 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 -6.25 2.31 -0.32 3.52 0.52 -1.26 -4.83 118.95 112.64 1x3h s ARG 23 Ca 0.56 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 1x3h s ARG 23 Cb -0.25 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1x3h s ARG 23 CO 0.70 0.52 1.68 -1.25 0.02 0.00 0.00 175.30 176.97 1x3h s PRO 24 N -2.25 3.48 -0.04 3.54 0.04 -1.26 -0.61 135.00 137.91 1x3h s PRO 24 Ca 0.23 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 1x3h s PRO 24 Cb -0.11 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1x3h s PRO 24 CO 0.16 -1.68 0.52 0.14 0.04 0.00 0.00 177.00 176.18 1x3h s VAL 25 N 6.22 5.02 0.18 -0.36 -7.23 -1.22 -4.95 120.40 118.06 1x3h s VAL 25 Ca 0.74 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.98 1x3h s VAL 25 Cb -0.21 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1x3h s VAL 25 CO 0.33 0.43 0.00 0.18 -0.31 0.00 0.00 175.10 175.72 1x3h n LEU 26 N 2.81 0.45 -4.75 1.32 4.32 -1.26 -4.88 117.00 115.02 1x3h n LEU 26 Ca -0.08 0.29 -0.36 0.00 -0.02 0.00 0.00 56.01 55.84 1x3h n LEU 26 Cb 0.51 0.03 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 1x3h n LEU 26 CO 0.42 -0.76 -0.24 -1.83 -1.22 0.00 0.00 177.39 173.77 1x3h s GLU 27 N -1.92 3.41 -1.07 3.23 -1.05 -1.26 -4.52 118.70 115.51 1x3h s GLU 27 Ca 0.00 -0.28 -0.01 0.00 -0.15 0.00 0.00 54.97 54.53 1x3h s GLU 27 Cb 0.00 -3.06 -0.01 0.00 -0.44 0.00 0.00 34.13 30.62 1x3h s GLU 27 CO 0.00 0.63 0.90 0.09 0.95 0.00 0.00 175.26 177.83 1x3h n ASN 28 N 2.42 -3.01 -4.47 0.83 3.02 -1.26 -5.02 115.26 107.77 1x3h n ASN 28 Ca -0.19 -0.59 -0.29 0.00 -0.03 0.00 0.00 54.58 53.48 1x3h n ASN 28 Cb 0.54 -4.78 -0.12 0.00 -0.61 0.00 0.00 39.78 34.81 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1x3h s TYR 29 N -3.34 2.48 0.40 3.10 1.13 -1.26 -4.11 117.35 115.75 1x3h s TYR 29 Ca 0.10 -0.29 0.08 0.00 -1.41 0.00 0.00 57.07 55.54 1x3h s TYR 29 Cb -0.01 -1.31 -0.01 0.00 -1.10 0.00 0.00 41.96 39.52 1x3h s TYR 29 CO 0.67 0.39 0.42 -0.51 -2.51 0.00 0.00 175.55 174.02 1x3h s LEU 30 N -2.20 3.51 -0.33 -3.49 1.02 -0.91 -4.93 118.68 111.34 1x3h s LEU 30 Ca 0.18 -0.61 -0.01 0.00 0.02 0.00 0.00 54.13 53.71 1x3h s LEU 30 Cb -0.10 -2.26 0.11 0.00 0.02 0.00 0.00 46.19 43.96 1x3h s LEU 30 CO 0.10 -0.63 0.14 -0.44 0.02 0.00 0.00 176.35 175.53 1x3h s SER 31 N -4.17 3.76 0.15 2.29 0.01 -1.26 -1.57 113.70 112.91 1x3h s SER 31 Ca 0.49 -1.79 0.04 0.00 1.31 0.00 0.00 55.95 56.00 1x3h s SER 31 Cb -0.05 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1x3h s SER 31 CO 0.29 -0.38 -0.10 0.00 0.41 0.00 0.00 173.24 173.46 1x3h s ALA 32 N 1.45 1.45 -1.60 1.44 0.00 0.25 -4.82 121.76 119.94 1x3h s ALA 32 Ca 0.12 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 1x3h s ALA 32 Cb -0.19 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.11 1x3h s ALA 32 CO -0.20 -0.11 0.73 -1.33 0.00 0.00 0.00 175.76 174.84 1x3h n MET 33 N -0.20 -3.64 -1.97 0.00 2.81 -1.26 0.96 117.12 113.81 1x3h n MET 33 Ca -0.10 0.42 -0.18 0.00 -1.81 0.00 0.00 57.70 56.03 1x3h n MET 33 Cb 0.61 -5.02 -0.04 0.00 -0.71 0.00 0.00 33.22 28.05 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 -2.78 -4.98 -2.89 7.83 8.00 -1.26 -4.91 116.55 115.55 1x3h n ASP 34 Ca -0.03 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.57 1x3h n ASP 34 Cb 0.55 -4.31 -0.04 0.00 -0.02 0.00 0.00 41.12 37.30 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1x3h n THR 35 N -3.01 0.00 -4.08 -3.53 5.66 0.27 -5.17 114.28 104.42 1x3h n THR 35 Ca -0.20 -1.79 -0.23 0.00 -3.05 0.00 0.00 64.05 58.78 1x3h n THR 35 Cb 0.63 1.04 -0.04 0.00 -1.55 0.00 0.00 70.33 70.40 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 -2.90 4.60 0.34 1.08 -7.23 -1.26 0.86 120.40 115.89 1x3h s VAL 36 Ca 0.29 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1x3h s VAL 36 Cb -0.00 -3.44 -0.01 0.00 0.56 0.00 0.00 36.38 33.49 1x3h s VAL 36 CO 0.21 -0.26 0.40 0.26 -0.31 0.00 0.00 175.10 175.40 1x3h s TRP 37 N -1.98 1.34 -0.06 2.82 0.52 -0.61 -2.53 118.94 118.45 1x3h s TRP 37 Ca 0.32 -1.45 -0.01 0.00 0.02 0.00 0.00 56.10 54.99 1x3h s TRP 37 Cb -0.09 -0.33 -0.03 0.00 -1.15 0.00 0.00 33.47 31.87 1x3h s TRP 37 CO 0.25 -1.04 0.02 -1.01 0.02 0.00 0.00 176.95 175.19 1x3h s HIS 38 N -3.19 3.17 -1.85 -1.98 3.76 -1.26 -2.14 115.29 111.80 1x3h s HIS 38 Ca 0.35 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 1x3h s HIS 38 Cb 0.01 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1x3h s HIS 38 CO 0.23 0.49 0.45 -0.35 -0.85 0.00 0.00 174.74 174.71 1x3h n PRO 39 N 1.83 0.49 0.00 8.40 -0.04 -1.26 -1.39 135.00 143.04 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 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1x3h n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x3h n GLU 40 N -0.39 1.58 -0.05 0.54 1.02 -1.26 -4.86 120.64 117.22 1x3h n GLU 40 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1x3h n GLU 40 Cb 0.02 -0.76 -0.13 0.00 -0.02 0.00 0.00 31.44 30.55 1x3h n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x3h n PHE 42 N -4.19 0.42 -3.66 0.00 7.35 -0.48 -4.80 117.46 112.10 1x3h n PHE 42 Ca -0.26 0.05 -0.10 0.00 -0.76 0.00 0.00 57.45 56.38 1x3h n PHE 42 Cb 0.76 -1.36 -0.05 0.00 0.35 0.00 0.00 39.48 39.18 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 5.35 0.08 1.03 -2.13 -7.23 -1.26 -4.36 120.40 111.87 1x3h s VAL 43 Ca 1.22 -0.64 -0.19 0.00 -1.81 0.00 0.00 61.98 60.56 1x3h s VAL 43 Cb -0.70 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1x3h s VAL 43 CO 0.43 -0.35 -0.36 0.00 -0.31 0.00 0.00 175.10 174.50 1x3h n GLY 45 N 2.46 -0.88 0.02 0.00 0.00 -0.77 -3.42 105.19 102.61 1x3h n GLY 45 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1x3h n GLY 45 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x3h h ASP 46 N 0.00 0.00 1.02 1.61 3.32 -1.92 -3.40 116.42 117.05 1x3h h ASP 46 Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1x3h h ASP 46 Cb 2.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.67 1x3h h ASP 46 CO 0.03 0.23 -0.60 0.00 -1.72 0.00 0.00 179.24 177.18 1x3h n PHE 48 N -3.45 -2.20 -3.53 0.00 3.72 -1.22 -4.97 117.46 105.82 1x3h n PHE 48 Ca 0.00 0.83 -0.32 0.00 -0.05 0.00 0.00 57.45 57.91 1x3h n PHE 48 Cb 0.69 -4.50 -0.05 0.00 -0.94 0.00 0.00 39.48 34.67 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 -3.28 5.03 0.18 4.37 -1.32 -1.26 -4.64 115.64 114.72 1x3h s THR 49 Ca 0.29 0.33 -0.24 0.00 -1.21 0.00 0.00 61.69 60.85 1x3h s THR 49 Cb -0.13 -3.63 -0.08 0.00 -1.51 0.00 0.00 72.50 67.15 1x3h s THR 49 CO 0.62 0.04 0.77 -0.55 -2.21 0.00 0.00 174.62 173.29 1x3h s SER 50 N -2.27 7.32 -0.35 8.08 0.15 -1.26 -2.26 113.70 123.12 1x3h s SER 50 Ca 0.43 1.61 -0.12 0.00 0.70 0.00 0.00 55.95 58.57 1x3h s SER 50 Cb -0.12 -2.49 -0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x3h s SER 50 CO 0.22 0.16 0.22 -0.36 1.20 0.00 0.00 173.24 174.68 1x3h s PHE 51 N -1.24 3.22 0.00 3.44 0.08 -1.26 -4.87 117.98 117.34 1x3h s PHE 51 Ca 0.38 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.94 1x3h s PHE 51 Cb -0.22 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1x3h s PHE 51 CO 0.25 -0.47 0.00 -1.13 -0.10 0.00 0.00 175.22 173.77 1x3h n SER 52 N 5.06 3.39 -4.23 1.36 3.41 -1.26 -5.04 113.62 116.31 1x3h n SER 52 Ca -0.13 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.16 1x3h n SER 52 Cb 0.48 0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1x3h n SER 52 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x3h s THR 53 N -1.82 2.14 0.00 6.66 -1.32 -1.26 -4.97 115.64 115.07 1x3h s THR 53 Ca 0.00 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1x3h s THR 53 Cb 0.00 -1.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 1x3h s THR 53 CO 0.00 0.56 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 1x3h n GLY 54 N 3.51 0.98 3.61 6.08 0.00 -1.26 -5.01 105.19 113.10 1x3h n GLY 54 Ca -0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 1x3h n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3h s SER 55 N -4.00 -0.15 0.09 1.61 0.15 -1.26 -5.17 113.70 104.96 1x3h s SER 55 Ca 0.00 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1x3h s SER 55 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1x3h s SER 55 CO 0.00 -0.38 0.02 0.72 1.20 0.00 0.00 173.24 174.80 1x3h s PHE 56 N -2.61 3.04 -0.16 3.44 -0.71 -1.26 -4.83 117.98 114.88 1x3h s PHE 56 Ca 0.10 -0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 55.98 1x3h s PHE 56 Cb 0.01 -1.56 -0.01 0.00 -1.21 0.00 0.00 43.02 40.25 1x3h s PHE 56 CO -0.04 0.49 -0.10 -0.06 -1.34 0.00 0.00 175.22 174.16 1x3h s PHE 57 N -1.33 2.87 0.01 3.49 0.08 -1.24 -5.04 117.98 116.82 1x3h s PHE 57 Ca 0.27 -0.77 -0.26 0.00 0.12 0.00 0.00 56.93 56.29 1x3h s PHE 57 Cb -0.12 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1x3h s PHE 57 CO 0.19 -0.33 0.79 -2.00 -0.10 0.00 0.00 175.22 173.77 1x3h s GLU 58 N 0.74 4.50 -0.22 0.44 -6.30 -1.26 -3.04 118.70 113.55 1x3h s GLU 58 Ca -0.04 1.08 -0.04 0.00 -2.50 0.00 0.00 54.97 53.47 1x3h s GLU 58 Cb -0.15 -3.40 0.09 0.00 0.00 0.00 0.00 34.13 30.66 1x3h s GLU 58 CO 0.02 0.16 0.15 -1.17 0.02 0.00 0.00 175.26 174.44 1x3h s LEU 59 N 0.38 0.23 -1.32 2.70 2.96 -0.97 -4.87 118.68 117.79 1x3h s LEU 59 Ca 0.41 -0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1x3h s LEU 59 Cb -0.20 -0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.45 1x3h s LEU 59 CO 0.23 -0.37 1.14 -0.67 -1.32 0.00 0.00 176.35 175.35 1x3h n ASP 60 N 5.28 -5.53 -3.06 3.68 2.03 -1.26 -2.16 116.55 115.54 1x3h n ASP 60 Ca -0.06 -0.55 -0.21 0.00 0.52 0.00 0.00 54.79 54.49 1x3h n ASP 60 Cb 0.47 -5.01 0.05 0.00 -0.72 0.00 0.00 41.12 35.91 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 -1.84 -0.43 2.96 0.27 0.00 -1.26 -5.00 105.19 99.90 1x3h n GLY 61 Ca -0.05 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.89 0.13 0.05 1.61 1.81 -0.92 -5.13 118.95 110.60 1x3h s ARG 62 Ca 0.40 0.47 -0.31 0.00 -1.72 0.00 0.00 55.73 54.58 1x3h s ARG 62 Cb -0.18 -0.16 -0.07 0.00 -0.45 0.00 0.00 34.95 34.10 1x3h s ARG 62 CO 0.50 -0.19 1.41 -1.25 -0.68 0.00 0.00 175.30 175.09 1x3h s PRO 63 N 1.40 4.30 0.26 3.54 0.04 -1.26 -2.29 135.00 140.99 1x3h s PRO 63 Ca -0.07 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1x3h s PRO 63 Cb -0.11 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1x3h s PRO 63 CO -0.07 -0.53 0.15 -0.06 0.04 0.00 0.00 177.00 176.54 1x3h s PHE 64 N 1.91 1.45 0.30 0.56 0.08 -1.17 -1.84 117.98 119.27 1x3h s PHE 64 Ca 0.65 -1.38 0.06 0.00 0.12 0.00 0.00 56.93 56.38 1x3h s PHE 64 Cb -0.34 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 1x3h s PHE 64 CO 0.28 -0.57 0.41 0.00 -0.10 0.00 0.00 175.22 175.24 1x3h h GLU 66 N 1.02 0.42 0.00 0.00 4.81 -1.96 0.70 114.58 119.58 1x3h h GLU 66 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1x3h h GLU 66 Cb 1.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1x3h h GLU 66 CO 0.56 0.28 0.00 -0.11 -0.73 0.00 0.00 179.01 179.01 1x3h n LEU 67 N -4.97 0.00 0.24 1.64 -0.00 -1.26 -1.60 117.00 111.05 1x3h n LEU 67 Ca 0.08 0.99 -0.15 0.00 -0.00 0.00 0.00 56.01 56.93 1x3h n LEU 67 Cb 0.26 -0.49 -0.08 0.00 -0.00 0.00 0.00 43.42 43.11 1x3h n LEU 67 CO 0.23 -0.49 0.65 0.45 -0.00 0.00 0.00 177.39 178.23 1x3h h HIS 68 N 0.00 -0.54 -0.66 1.96 3.86 -1.95 -2.95 115.15 114.87 1x3h h HIS 68 Ca 0.00 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.33 1x3h h HIS 68 Cb 0.00 0.18 -0.12 0.00 1.06 0.00 0.00 27.41 28.53 1x3h h HIS 68 CO -0.35 -0.28 -0.15 0.98 0.86 0.00 0.00 177.93 179.00 1x3h n TYR 69 N -5.30 0.25 0.12 2.45 9.36 0.24 0.12 117.16 124.41 1x3h n TYR 69 Ca -0.11 0.80 -0.14 0.00 3.32 0.00 0.00 57.90 61.78 1x3h n TYR 69 Cb 0.27 -0.89 -0.08 0.00 -0.63 0.00 0.00 39.34 38.01 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 -0.26 0.58 2.98 3.86 -1.19 -2.90 115.15 118.22 1x3h h HIS 70 Ca 0.32 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1x3h h HIS 70 Cb 0.51 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1x3h h HIS 70 CO -0.49 -0.02 -0.50 1.25 0.86 0.00 0.00 177.93 179.03 1x3h h HIS 71 N -0.47 -1.36 -0.99 2.45 -0.00 0.10 -1.94 115.15 112.95 1x3h h HIS 71 Ca -0.03 0.00 0.33 0.00 -0.00 0.00 0.00 60.37 60.67 1x3h h HIS 71 Cb 0.36 0.52 -0.18 0.00 -0.00 0.00 0.00 27.41 28.10 1x3h h HIS 71 CO -0.01 -0.68 0.22 0.54 -0.00 0.00 0.00 177.93 178.00 1x3h n ARG 72 N -5.58 -0.07 -0.13 5.26 1.74 0.11 0.14 116.66 118.13 1x3h n ARG 72 Ca -0.13 1.44 -0.10 0.00 -0.77 0.00 0.00 57.85 58.29 1x3h n ARG 72 Cb 0.47 -2.40 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 1x3h n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x3h h ARG 73 N 0.00 0.64 0.01 5.56 3.08 -1.21 -3.31 114.38 119.14 1x3h h ARG 73 Ca 0.70 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.57 1x3h h ARG 73 Cb 1.63 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1x3h h ARG 73 CO -0.87 0.70 -0.00 0.78 -1.07 0.00 0.00 179.97 179.51 1x3h h GLY 74 N 0.48 -0.01 -7.01 0.04 0.00 0.16 -3.46 103.07 93.27 1x3h h GLY 74 Ca 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.97 1x3h h GLY 74 CO 0.01 -0.00 -0.76 -0.45 0.00 0.00 0.00 176.54 175.34 1x3h s SER 75 N -4.68 2.65 0.00 0.19 0.15 0.38 -5.08 113.70 107.31 1x3h s SER 75 Ca -0.00 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1x3h s SER 75 Cb 0.00 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1x3h s SER 75 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1x3h n GLY 76 N 5.25 4.83 3.71 9.45 0.00 -1.24 -4.12 105.19 123.07 1x3h n GLY 76 Ca -0.07 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.44 4.31 -0.13 1.61 0.04 -1.26 -4.96 135.00 133.17 1x3h s PRO 77 Ca 0.00 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1x3h s PRO 77 Cb 0.00 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1x3h s PRO 77 CO 0.00 -0.48 -0.06 0.77 0.04 0.00 0.00 177.00 177.27 1x3h h SER 78 N 7.21 0.00 -3.26 6.66 0.02 -2.02 -3.44 113.55 118.72 1x3h h SER 78 Ca -0.41 -0.06 -0.72 0.00 -0.84 0.00 0.00 61.79 59.77 1x3h h SER 78 Cb 1.20 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.53 1x3h h SER 78 CO 0.88 0.70 -0.15 -0.55 -1.14 0.00 0.00 176.83 176.57 1x3h s SER 79 N -5.74 6.18 0.00 3.07 0.15 -1.26 -5.35 113.70 110.76 1x3h s SER 79 Ca -0.10 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1x3h s SER 79 Cb 0.01 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1x3h s SER 79 CO 0.17 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.45