#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3h n SER 2 N 0.00 -0.33 -4.34 1.61 3.41 -1.26 -4.87 113.62 107.84 1x3h n SER 2 Ca 0.00 -0.90 -0.27 0.00 -0.26 0.00 0.00 58.87 57.45 1x3h n SER 2 Cb 0.00 -1.13 -0.09 0.00 -0.26 0.00 0.00 64.21 62.73 1x3h n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x3h s SER 3 N -3.28 3.06 -0.36 4.04 1.04 -1.26 -5.13 113.70 111.81 1x3h s SER 3 Ca 0.30 -1.60 0.01 0.00 0.48 0.00 0.00 55.95 55.14 1x3h s SER 3 Cb -0.18 0.36 0.14 0.00 0.10 0.00 0.00 66.02 66.45 1x3h s SER 3 CO 0.72 -0.84 0.24 -0.83 0.98 0.00 0.00 173.24 173.52 1x3h s GLY 4 N -3.65 0.80 0.43 7.32 0.00 -1.26 -5.13 107.32 105.83 1x3h s GLY 4 Ca 0.23 -1.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.00 1x3h s GLY 4 CO 0.12 2.16 0.80 -0.56 0.00 0.00 0.00 173.10 175.62 1x3h s SER 5 N 0.99 6.49 -0.28 1.64 0.01 -1.26 -5.09 113.70 116.19 1x3h s SER 5 Ca 0.20 1.15 -0.15 0.00 1.31 0.00 0.00 55.95 58.46 1x3h s SER 5 Cb -0.19 -2.33 0.09 0.00 0.21 0.00 0.00 66.02 63.80 1x3h s SER 5 CO -0.02 -0.45 0.68 -0.94 0.41 0.00 0.00 173.24 172.93 1x3h s SER 6 N -3.30 -0.99 0.00 2.44 1.04 -1.26 -5.11 113.70 106.52 1x3h s SER 6 Ca 0.51 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1x3h s SER 6 Cb -0.10 1.59 0.00 0.00 0.10 0.00 0.00 66.02 67.61 1x3h s SER 6 CO 0.34 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x3h n GLY 7 N 4.57 -0.66 0.18 7.32 0.00 -1.26 -5.05 105.19 110.30 1x3h n GLY 7 Ca -0.18 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 1x3h n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3h h LYS 8 N 0.00 0.56 -5.08 1.61 1.79 -2.07 -3.40 116.57 109.97 1x3h h LYS 8 Ca 0.00 -0.07 -0.65 0.00 -2.18 0.00 0.00 60.65 57.75 1x3h h LYS 8 Cb 0.00 -0.11 -0.26 0.00 -1.58 0.00 0.00 32.23 30.28 1x3h h LYS 8 CO 0.00 0.46 -0.71 -0.51 -1.08 0.00 0.00 179.45 177.61 1x3h s ASP 9 N -5.71 4.38 -0.20 0.86 1.01 -1.26 -5.00 116.67 110.74 1x3h s ASP 9 Ca -0.13 -0.33 -0.19 0.00 0.71 0.00 0.00 52.55 52.61 1x3h s ASP 9 Cb 0.10 -1.74 -0.16 0.00 1.01 0.00 0.00 42.92 42.14 1x3h s ASP 9 CO 0.74 0.03 0.09 0.49 0.21 0.00 0.00 175.17 176.73 1x3h n PHE 10 N 4.44 0.92 -3.73 4.23 3.01 -1.26 -4.97 117.46 120.09 1x3h n PHE 10 Ca -0.18 0.40 -0.12 0.00 1.01 0.00 0.00 57.45 58.55 1x3h n PHE 10 Cb 0.51 -1.03 -0.13 0.00 -0.01 0.00 0.00 39.48 38.82 1x3h n PHE 10 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1x3h s LEU 11 N -7.91 0.46 -0.18 4.37 1.43 -1.26 -5.14 118.68 110.45 1x3h s LEU 11 Ca -0.27 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1x3h s LEU 11 Cb 0.06 0.71 0.08 0.00 0.03 0.00 0.00 46.19 47.08 1x3h s LEU 11 CO 0.51 -0.16 0.36 0.00 0.23 0.00 0.00 176.35 177.30 1x3h s ALA 12 N 1.20 -0.95 -0.11 4.21 0.00 -1.26 -5.15 121.76 119.70 1x3h s ALA 12 Ca -0.09 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1x3h s ALA 12 Cb -0.10 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 21.86 1x3h s ALA 12 CO -0.08 -0.76 0.77 -1.64 0.00 0.00 0.00 175.76 174.05 1x3h s MET 13 N 2.54 0.91 -0.94 0.00 -1.94 -1.26 -5.10 119.30 113.51 1x3h s MET 13 Ca 0.00 0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 54.24 1x3h s MET 13 Cb -0.12 0.43 0.24 0.00 2.01 0.00 0.00 34.83 37.39 1x3h s MET 13 CO -0.12 -0.26 0.88 -0.06 -0.01 0.00 0.00 175.02 175.45 1x3h s PHE 14 N -0.92 3.97 0.01 -0.03 0.08 -1.26 -5.00 117.98 114.83 1x3h s PHE 14 Ca -0.07 -2.61 -0.23 0.00 0.12 0.00 0.00 56.93 54.14 1x3h s PHE 14 Cb -0.01 -3.63 0.05 0.00 -0.57 0.00 0.00 43.02 38.87 1x3h s PHE 14 CO 0.06 -0.90 0.52 -1.12 -0.10 0.00 0.00 175.22 173.69 1x3h s SER 15 N 1.11 -0.45 1.10 1.36 0.01 -1.26 -5.18 113.70 110.39 1x3h s SER 15 Ca 0.25 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.65 1x3h s SER 15 Cb -0.10 0.47 0.24 0.00 0.21 0.00 0.00 66.02 66.83 1x3h s SER 15 CO -0.09 -0.64 1.10 -2.16 0.41 0.00 0.00 173.24 171.86 1x3h s PRO 16 N -1.94 -0.37 0.04 12.44 0.04 -1.26 -4.99 135.00 138.96 1x3h s PRO 16 Ca -0.08 0.24 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 1x3h s PRO 16 Cb -0.01 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.87 1x3h s PRO 16 CO 0.02 -3.21 0.22 0.15 0.04 0.00 0.00 177.00 174.23 1x3h s LYS 17 N -5.15 0.72 0.40 4.56 1.02 -1.26 -3.66 119.74 116.36 1x3h s LYS 17 Ca 0.68 -0.58 -0.26 0.00 0.02 0.00 0.00 55.97 55.83 1x3h s LYS 17 Cb -0.15 0.30 -0.11 0.00 -0.52 0.00 0.00 37.83 37.36 1x3h s LYS 17 CO 0.57 -0.21 1.16 0.00 -0.92 0.00 0.00 175.35 175.95 1x3h n GLY 19 N 0.97 2.82 2.00 0.00 0.00 -0.84 -2.15 105.19 108.00 1x3h n GLY 19 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.96 -0.30 0.09 -0.02 0.00 -1.26 -4.91 105.19 99.75 1x3h n GLY 20 Ca 0.09 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.13 -5.99 -4.72 0.00 4.13 -0.91 -4.98 115.26 101.65 1x3h n ASN 22 Ca 0.04 -0.43 -0.27 0.00 1.68 0.00 0.00 54.58 55.61 1x3h n ASN 22 Cb 0.30 -4.67 -0.07 0.00 -1.54 0.00 0.00 39.78 33.81 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 -6.04 2.62 -0.39 3.52 0.52 -1.26 -4.80 118.95 113.12 1x3h s ARG 23 Ca 0.47 -0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 54.41 1x3h s ARG 23 Cb -0.21 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 1x3h s ARG 23 CO 0.58 0.48 1.73 -1.25 0.02 0.00 0.00 175.30 176.85 1x3h s PRO 24 N -2.94 3.27 -0.20 3.54 0.04 -1.26 -0.56 135.00 136.88 1x3h s PRO 24 Ca 0.29 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 1x3h s PRO 24 Cb -0.10 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1x3h s PRO 24 CO 0.20 -1.93 0.35 0.14 0.04 0.00 0.00 177.00 175.80 1x3h s VAL 25 N 6.92 5.24 0.00 -0.36 -7.23 -1.24 -4.90 120.40 118.82 1x3h s VAL 25 Ca 0.74 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 61.51 1x3h s VAL 25 Cb -0.19 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.07 1x3h s VAL 25 CO 0.31 0.28 0.00 0.18 -0.31 0.00 0.00 175.10 175.56 1x3h n LEU 26 N 4.36 0.91 -4.79 1.32 4.77 -1.26 -4.87 117.00 117.45 1x3h n LEU 26 Ca -0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 1x3h n LEU 26 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1x3h n LEU 26 CO 0.39 0.05 -0.24 -1.83 -1.33 0.00 0.00 177.39 174.43 1x3h s GLU 27 N -1.72 3.16 -1.49 3.23 -1.05 -1.26 -4.52 118.70 115.05 1x3h s GLU 27 Ca 0.00 -0.37 -0.02 0.00 -0.15 0.00 0.00 54.97 54.43 1x3h s GLU 27 Cb 0.00 -2.94 0.02 0.00 -0.44 0.00 0.00 34.13 30.77 1x3h s GLU 27 CO 0.00 0.70 0.35 0.27 0.95 0.00 0.00 175.26 177.52 1x3h n ASN 28 N 1.62 -0.31 -4.70 0.83 0.23 -1.26 -4.95 115.26 106.72 1x3h n ASN 28 Ca -0.16 -1.09 -0.30 0.00 -0.53 0.00 0.00 54.58 52.51 1x3h n ASN 28 Cb 0.53 -2.60 -0.08 0.00 -2.08 0.00 0.00 39.78 35.56 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 -3.99 3.01 0.36 -2.53 1.13 -1.26 -4.07 117.35 110.00 1x3h s TYR 29 Ca 0.10 -0.02 0.07 0.00 -1.41 0.00 0.00 57.07 55.81 1x3h s TYR 29 Cb -0.05 -1.54 -0.02 0.00 -1.10 0.00 0.00 41.96 39.25 1x3h s TYR 29 CO 0.93 0.49 0.38 -0.51 -2.51 0.00 0.00 175.55 174.33 1x3h s LEU 30 N -2.40 3.64 -0.33 -3.49 1.02 -0.96 -4.94 118.68 111.23 1x3h s LEU 30 Ca 0.27 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 1x3h s LEU 30 Cb -0.12 -2.35 0.11 0.00 0.02 0.00 0.00 46.19 43.86 1x3h s LEU 30 CO 0.19 -0.48 0.14 -0.44 0.02 0.00 0.00 176.35 175.78 1x3h s SER 31 N -4.10 3.73 0.14 2.29 0.01 -1.26 -1.56 113.70 112.95 1x3h s SER 31 Ca 0.45 -1.76 0.04 0.00 1.31 0.00 0.00 55.95 55.99 1x3h s SER 31 Cb -0.06 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1x3h s SER 31 CO 0.29 -0.39 -0.10 0.00 0.41 0.00 0.00 173.24 173.44 1x3h s ALA 32 N 1.48 1.42 -1.43 1.44 0.00 0.13 -4.80 121.76 120.01 1x3h s ALA 32 Ca 0.12 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 1x3h s ALA 32 Cb -0.19 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.07 1x3h s ALA 32 CO -0.21 -0.08 0.64 -1.33 0.00 0.00 0.00 175.76 174.78 1x3h n MET 33 N -0.09 -3.69 -2.11 0.00 2.81 -1.26 0.82 117.12 113.60 1x3h n MET 33 Ca -0.11 0.47 -0.20 0.00 -1.81 0.00 0.00 57.70 56.05 1x3h n MET 33 Cb 0.60 -5.22 -0.04 0.00 -0.71 0.00 0.00 33.22 27.86 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 -2.46 -5.63 -3.30 7.83 9.92 -1.26 -4.95 116.55 116.69 1x3h n ASP 34 Ca 0.02 0.16 -0.16 0.00 -0.53 0.00 0.00 54.79 54.27 1x3h n ASP 34 Cb 0.53 -4.74 -0.06 0.00 -0.64 0.00 0.00 41.12 36.21 1x3h n ASP 34 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1x3h s THR 35 N -2.92 0.00 0.15 -3.53 -1.32 0.24 -5.17 115.64 103.10 1x3h s THR 35 Ca 0.00 -1.74 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 1x3h s THR 35 Cb 0.00 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 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 -3.21 4.68 0.35 5.08 -7.23 -1.26 0.21 120.40 119.01 1x3h s VAL 36 Ca 0.34 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.61 1x3h s VAL 36 Cb 0.01 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1x3h s VAL 36 CO 0.23 -0.07 0.36 0.79 -0.31 0.00 0.00 175.10 176.10 1x3h n TRP 37 N -0.28 -1.04 -4.47 2.82 7.02 -0.60 -1.98 117.44 118.91 1x3h n TRP 37 Ca -0.08 -2.72 -0.33 0.00 -1.02 0.00 0.00 57.50 53.35 1x3h n TRP 37 Cb 0.54 0.39 -0.10 0.00 -2.42 0.00 0.00 31.31 29.72 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 -3.20 2.94 -2.00 -5.99 3.76 -1.26 -2.27 115.29 107.27 1x3h s HIS 38 Ca 0.37 0.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.33 1x3h s HIS 38 Cb 0.01 -1.65 0.22 0.00 1.11 0.00 0.00 32.58 32.27 1x3h s HIS 38 CO 0.26 0.38 0.69 -0.35 -0.85 0.00 0.00 174.74 174.87 1x3h n PRO 39 N 1.72 0.49 0.00 8.40 -0.04 -1.26 -1.29 135.00 143.02 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 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.62 2.48 -0.06 0.54 0.28 -1.26 -4.84 120.64 117.17 1x3h n GLU 40 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.83 1x3h n GLU 40 Cb 0.01 -0.85 -0.13 0.00 1.43 0.00 0.00 31.44 31.90 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 -4.26 0.46 -4.00 0.00 7.35 -0.41 -4.80 117.46 111.79 1x3h n PHE 42 Ca -0.26 -0.01 -0.09 0.00 -0.76 0.00 0.00 57.45 56.33 1x3h n PHE 42 Cb 0.73 -1.34 -0.08 0.00 0.35 0.00 0.00 39.48 39.14 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 5.96 0.09 1.06 -2.13 -7.23 -1.26 -4.25 120.40 112.65 1x3h s VAL 43 Ca 1.12 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 59.57 1x3h s VAL 43 Cb -0.53 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1x3h s VAL 43 CO 0.36 -0.41 -0.49 0.00 -0.31 0.00 0.00 175.10 174.25 1x3h n GLY 45 N 2.52 -0.78 0.06 0.00 0.00 -1.03 -3.41 105.19 102.56 1x3h n GLY 45 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 0.87 1.61 5.19 -1.93 -3.39 116.42 118.77 1x3h h ASP 46 Ca -0.47 -0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 55.67 1x3h h ASP 46 Cb 2.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.49 1x3h h ASP 46 CO 0.01 0.67 -1.22 0.00 -3.12 0.00 0.00 179.24 175.58 1x3h n PHE 48 N -3.09 -1.99 -4.25 0.00 3.72 -1.22 -4.98 117.46 105.66 1x3h n PHE 48 Ca -0.07 0.79 -0.30 0.00 -0.05 0.00 0.00 57.45 57.82 1x3h n PHE 48 Cb 0.89 -4.40 -0.10 0.00 -0.94 0.00 0.00 39.48 34.93 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 -3.32 3.24 0.97 4.37 -1.32 -1.26 -4.73 115.64 113.59 1x3h s THR 49 Ca 0.14 -1.32 -0.12 0.00 -1.21 0.00 0.00 61.69 59.19 1x3h s THR 49 Cb -0.02 -2.51 0.12 0.00 -1.51 0.00 0.00 72.50 68.59 1x3h s THR 49 CO 0.64 0.11 0.82 -0.24 -2.21 0.00 0.00 174.62 173.74 1x3h n SER 50 N 0.74 -0.86 -4.05 8.08 2.88 -1.26 -2.29 113.62 116.86 1x3h n SER 50 Ca -0.14 0.30 -0.34 0.00 -1.33 0.00 0.00 58.87 57.35 1x3h n SER 50 Cb 0.52 -1.33 -0.09 0.00 -0.75 0.00 0.00 64.21 62.56 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 -2.51 3.58 -0.22 0.66 0.08 -1.26 -4.84 117.98 113.46 1x3h s PHE 51 Ca 0.63 -2.97 0.17 0.00 0.12 0.00 0.00 56.93 54.88 1x3h s PHE 51 Cb -0.22 -3.10 0.47 0.00 -0.57 0.00 0.00 43.02 39.60 1x3h s PHE 51 CO 0.62 -0.75 1.16 0.43 -0.10 0.00 0.00 175.22 176.58 1x3h n SER 52 N 2.80 2.50 0.00 1.36 7.64 -1.26 -4.80 113.62 121.85 1x3h n SER 52 Ca 0.14 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1x3h n SER 52 Cb 0.37 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1x3h n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x3h n THR 53 N -0.51 0.00 -3.53 0.44 -2.24 -1.26 -5.12 114.28 102.05 1x3h n THR 53 Ca 0.19 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.82 1x3h n THR 53 Cb 0.89 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 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 -4.26 -0.47 -0.54 3.38 0.00 -1.26 -5.09 107.32 99.07 1x3h s GLY 54 Ca 0.00 1.50 -0.31 0.00 0.00 0.00 0.00 44.72 45.91 1x3h s GLY 54 CO 0.00 0.91 1.85 1.44 0.00 0.00 0.00 173.10 177.30 1x3h n SER 55 N 0.72 0.46 -4.27 1.64 7.64 -1.26 -4.74 113.62 113.81 1x3h n SER 55 Ca -0.15 0.39 -0.39 0.00 1.01 0.00 0.00 58.87 59.72 1x3h n SER 55 Cb 0.58 -0.71 0.01 0.00 -1.01 0.00 0.00 64.21 63.08 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 6.79 -2.66 -3.86 1.43 -1.74 -1.26 -4.93 117.46 111.22 1x3h n PHE 56 Ca 0.47 0.47 -0.36 0.00 -0.56 0.00 0.00 57.45 57.47 1x3h n PHE 56 Cb -0.01 -1.72 -0.14 0.00 1.52 0.00 0.00 39.48 39.14 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 -1.95 3.01 -0.11 2.97 0.08 -1.24 -5.04 117.98 115.70 1x3h s PHE 57 Ca 0.58 -0.84 -0.29 0.00 0.12 0.00 0.00 56.93 56.50 1x3h s PHE 57 Cb -0.51 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 39.78 1x3h s PHE 57 CO 0.65 -0.51 0.97 -2.00 -0.10 0.00 0.00 175.22 174.23 1x3h s GLU 58 N 1.51 4.41 -0.23 0.44 -6.30 -1.26 -3.03 118.70 114.24 1x3h s GLU 58 Ca 0.05 1.33 -0.03 0.00 -2.50 0.00 0.00 54.97 53.82 1x3h s GLU 58 Cb -0.15 -3.54 0.08 0.00 0.00 0.00 0.00 34.13 30.52 1x3h s GLU 58 CO -0.01 -0.29 0.08 -1.17 0.02 0.00 0.00 175.26 173.89 1x3h s LEU 59 N 1.94 1.08 -0.68 2.70 0.20 -0.92 -4.84 118.68 118.16 1x3h s LEU 59 Ca 0.47 -1.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.22 1x3h s LEU 59 Cb -0.18 -0.53 0.00 0.00 -0.43 0.00 0.00 46.19 45.06 1x3h s LEU 59 CO 0.18 -0.36 0.59 -0.67 -0.29 0.00 0.00 176.35 175.79 1x3h n ASP 60 N 5.10 -3.71 -3.04 3.68 2.03 -1.26 -3.04 116.55 116.31 1x3h n ASP 60 Ca -0.07 -0.29 -0.22 0.00 0.52 0.00 0.00 54.79 54.73 1x3h n ASP 60 Cb 0.45 -2.86 0.03 0.00 -0.72 0.00 0.00 41.12 38.02 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 -1.23 -0.52 3.03 0.27 0.00 -1.26 -4.98 105.19 100.51 1x3h n GLY 61 Ca -0.03 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.72 0.19 -0.08 1.61 0.52 -1.17 -5.13 118.95 109.17 1x3h s ARG 62 Ca 0.30 0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.60 1x3h s ARG 62 Cb -0.14 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 1x3h s ARG 62 CO 0.37 -0.11 1.51 -1.25 0.02 0.00 0.00 175.30 175.84 1x3h s PRO 63 N 0.76 4.21 0.34 3.54 0.04 -1.26 -2.17 135.00 140.46 1x3h s PRO 63 Ca -0.05 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1x3h s PRO 63 Cb -0.07 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1x3h s PRO 63 CO -0.04 -0.77 0.11 -0.06 0.04 0.00 0.00 177.00 176.28 1x3h s PHE 64 N 3.66 1.76 -0.12 0.56 0.08 -1.17 -2.47 117.98 120.28 1x3h s PHE 64 Ca 0.67 -1.19 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 1x3h s PHE 64 Cb -0.30 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1x3h s PHE 64 CO 0.25 -0.26 -0.05 0.00 -0.10 0.00 0.00 175.22 175.06 1x3h n GLU 66 N 3.06 -0.13 -0.40 0.00 2.13 -1.26 0.83 120.64 124.87 1x3h n GLU 66 Ca -0.18 0.78 -0.09 0.00 0.66 0.00 0.00 57.16 58.33 1x3h n GLU 66 Cb 0.53 -1.15 -0.07 0.00 0.27 0.00 0.00 31.44 31.01 1x3h n GLU 66 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1x3h h LEU 67 N 0.00 -2.02 0.03 4.31 5.85 -2.01 -1.01 115.31 120.46 1x3h h LEU 67 Ca 0.16 0.32 -0.00 0.00 0.84 0.00 0.00 57.88 59.20 1x3h h LEU 67 Cb 0.29 0.91 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1x3h h LEU 67 CO -0.50 -0.25 -0.01 0.45 -0.34 0.00 0.00 178.44 177.79 1x3h h HIS 68 N -0.01 -0.04 -0.65 1.25 3.86 0.03 -3.20 115.15 116.39 1x3h h HIS 68 Ca 0.19 -0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.60 1x3h h HIS 68 Cb 0.45 0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.81 1x3h h HIS 68 CO -0.99 0.66 0.09 0.98 0.86 0.00 0.00 177.93 179.54 1x3h n TYR 69 N -4.74 0.49 0.13 2.45 9.36 0.14 0.72 117.16 125.71 1x3h n TYR 69 Ca -0.09 0.78 -0.11 0.00 3.32 0.00 0.00 57.90 61.80 1x3h n TYR 69 Cb 0.35 -1.04 -0.07 0.00 -0.63 0.00 0.00 39.34 37.95 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 -0.37 -0.71 2.98 3.86 -1.29 -2.05 115.15 117.58 1x3h h HIS 70 Ca 0.43 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.77 1x3h h HIS 70 Cb 0.96 0.12 -0.13 0.00 1.06 0.00 0.00 27.41 29.42 1x3h h HIS 70 CO -0.25 -0.02 -0.22 1.25 0.86 0.00 0.00 177.93 179.54 1x3h h HIS 71 N -0.92 -0.53 -0.16 2.45 -0.00 0.30 -0.05 115.15 116.24 1x3h h HIS 71 Ca -0.04 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1x3h h HIS 71 Cb 0.51 0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1x3h h HIS 71 CO 0.04 -0.33 0.08 0.00 -0.00 0.00 0.00 177.93 177.72 1x3h h ARG 72 N -0.04 0.22 -0.70 5.26 3.08 -1.02 -3.00 114.38 118.18 1x3h h ARG 72 Ca 0.32 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.48 1x3h h ARG 72 Cb 0.54 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.42 1x3h h ARG 72 CO -0.75 0.24 -0.23 0.00 -1.07 0.00 0.00 179.97 178.16 1x3h h ARG 73 N 0.14 -0.05 -6.54 0.04 3.08 -0.27 -3.42 114.38 107.37 1x3h h ARG 73 Ca 0.06 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.67 1x3h h ARG 73 Cb 0.09 0.01 0.23 0.00 0.08 0.00 0.00 29.97 30.38 1x3h h ARG 73 CO -0.01 -0.03 -1.18 0.41 -1.07 0.00 0.00 179.97 178.09 1x3h n GLY 74 N -1.47 -2.57 0.45 0.04 0.00 -0.72 -4.86 105.19 96.05 1x3h n GLY 74 Ca 0.08 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1x3h n GLY 74 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3h h SER 75 N -2.05 -1.77 -4.99 1.61 0.87 -1.85 -3.46 113.55 101.92 1x3h h SER 75 Ca -0.49 0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1x3h h SER 75 Cb 1.31 0.71 -0.10 0.00 -0.44 0.00 0.00 62.40 63.88 1x3h h SER 75 CO 0.34 -0.43 0.25 -0.83 -0.53 0.00 0.00 176.83 175.64 1x3h s GLY 76 N -2.29 -0.42 1.05 5.77 0.00 -1.26 -5.09 107.32 105.09 1x3h s GLY 76 Ca -0.14 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.69 1x3h s GLY 76 CO 0.60 0.09 1.10 2.56 0.00 0.00 0.00 173.10 177.44 1x3h s PRO 77 N -3.73 -0.02 0.56 2.90 0.04 -1.26 -4.97 135.00 128.51 1x3h s PRO 77 Ca 0.05 0.37 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 1x3h s PRO 77 Cb -0.03 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 1x3h s PRO 77 CO -0.06 -3.00 1.26 0.45 0.04 0.00 0.00 177.00 175.70 1x3h n SER 78 N -4.34 2.21 -4.35 6.66 2.88 -1.26 -4.93 113.62 110.49 1x3h n SER 78 Ca 0.07 0.94 -0.45 0.00 -1.33 0.00 0.00 58.87 58.09 1x3h n SER 78 Cb 0.58 -1.53 -0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1x3h n SER 78 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3h s SER 79 N -1.00 7.18 0.00 -3.46 0.01 -1.26 -5.30 113.70 109.87 1x3h s SER 79 Ca 0.73 -3.35 0.00 0.00 1.31 0.00 0.00 55.95 54.64 1x3h s SER 79 Cb -0.42 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1x3h s SER 79 CO 0.48 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.35