#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 -0.28 -0.22 1.61 0.15 -1.26 -5.19 113.70 108.51 1x3h s SER 2 Ca 0.00 0.18 -0.31 0.00 0.70 0.00 0.00 55.95 56.52 1x3h s SER 2 Cb 0.00 0.25 0.16 0.00 -1.71 0.00 0.00 66.02 64.72 1x3h s SER 2 CO 0.00 -0.35 1.21 -0.94 1.20 0.00 0.00 173.24 174.37 1x3h s SER 3 N -1.65 -0.16 -0.36 5.45 1.04 -1.26 -5.11 113.70 111.65 1x3h s SER 3 Ca 0.04 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.64 1x3h s SER 3 Cb -0.01 0.14 0.31 0.00 0.10 0.00 0.00 66.02 66.57 1x3h s SER 3 CO -0.03 -0.18 1.29 0.61 0.98 0.00 0.00 173.24 175.91 1x3h n GLY 4 N 0.44 -1.00 3.82 7.32 0.00 -1.26 -5.16 105.19 109.36 1x3h n GLY 4 Ca -0.03 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.52 6.62 -0.28 1.61 0.01 -1.26 -5.07 113.70 114.81 1x3h s SER 5 Ca 0.22 1.72 -0.12 0.00 1.31 0.00 0.00 55.95 59.08 1x3h s SER 5 Cb 0.28 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 64.08 1x3h s SER 5 CO -0.15 -0.59 0.64 -0.94 0.41 0.00 0.00 173.24 172.61 1x3h s SER 6 N -2.45 -0.98 0.00 2.44 1.04 -1.26 -4.99 113.70 107.50 1x3h s SER 6 Ca 0.62 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.53 1x3h s SER 6 Cb -0.11 1.79 0.00 0.00 0.10 0.00 0.00 66.02 67.79 1x3h s SER 6 CO 0.22 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1x3h n GLY 7 N 4.92 0.52 0.09 7.32 0.00 -1.26 -5.06 105.19 111.71 1x3h n GLY 7 Ca -0.16 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.01 0.51 -3.32 1.61 5.02 -1.26 -4.93 118.16 115.78 1x3h n LYS 8 Ca 0.00 0.55 -0.08 0.00 -2.02 0.00 0.00 58.31 56.76 1x3h n LYS 8 Cb 0.00 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.23 1x3h n LYS 8 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x3h s ASP 9 N -6.35 0.19 0.26 4.39 1.11 -1.26 -5.16 116.67 109.85 1x3h s ASP 9 Ca -0.23 0.03 0.03 0.00 0.18 0.00 0.00 52.55 52.57 1x3h s ASP 9 Cb 0.04 1.18 -0.03 0.00 1.07 0.00 0.00 42.92 45.18 1x3h s ASP 9 CO 0.42 -0.32 0.41 0.72 1.18 0.00 0.00 175.17 177.58 1x3h s PHE 10 N 2.57 3.47 -0.94 4.23 -0.71 -1.26 -4.95 117.98 120.39 1x3h s PHE 10 Ca 0.12 0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.91 1x3h s PHE 10 Cb -0.14 -1.70 -0.24 0.00 -1.21 0.00 0.00 43.02 39.73 1x3h s PHE 10 CO -0.22 0.34 2.50 1.47 -1.34 0.00 0.00 175.22 177.98 1x3h n LEU 11 N -1.39 0.06 -0.05 -1.99 -0.00 -1.26 -4.63 117.00 107.74 1x3h n LEU 11 Ca -0.07 -0.19 -0.09 0.00 -0.00 0.00 0.00 56.01 55.66 1x3h n LEU 11 Cb 0.56 -0.91 -0.04 0.00 -0.00 0.00 0.00 43.42 43.03 1x3h n LEU 11 CO 0.47 -1.12 -0.83 0.00 -0.00 0.00 0.00 177.39 175.92 1x3h n ALA 12 N 10.02 2.09 -1.85 1.47 0.00 -1.26 -4.93 120.51 126.05 1x3h n ALA 12 Ca 0.63 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 1x3h n ALA 12 Cb 0.13 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.18 2.55 -0.21 0.00 -1.94 -1.26 -4.75 119.30 111.51 1x3h s MET 13 Ca -0.13 1.04 -0.05 0.00 -1.71 0.00 0.00 55.69 54.83 1x3h s MET 13 Cb 0.04 -4.43 -0.11 0.00 2.01 0.00 0.00 34.83 32.34 1x3h s MET 13 CO 0.19 -2.79 -0.23 0.34 -0.01 0.00 0.00 175.02 172.52 1x3h n PHE 14 N 13.50 0.00 -1.13 -0.03 7.35 -1.26 -5.02 117.46 130.87 1x3h n PHE 14 Ca 0.27 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.59 1x3h n PHE 14 Cb 0.52 -0.76 0.02 0.00 0.35 0.00 0.00 39.48 39.61 1x3h n PHE 14 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1x3h n SER 15 N -3.56 -4.09 -4.12 -2.13 7.64 -1.26 -4.93 113.62 101.18 1x3h n SER 15 Ca -0.39 0.51 -0.29 0.00 1.01 0.00 0.00 58.87 59.71 1x3h n SER 15 Cb 0.83 -0.79 0.22 0.00 -1.01 0.00 0.00 64.21 63.46 1x3h n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x3h s PRO 16 N -1.21 -0.69 0.06 1.43 0.04 -1.26 -4.98 135.00 128.39 1x3h s PRO 16 Ca 0.50 0.13 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 1x3h s PRO 16 Cb -0.40 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1x3h s PRO 16 CO 0.67 -3.40 0.28 0.15 0.04 0.00 0.00 177.00 174.74 1x3h s LYS 17 N -5.24 0.83 0.32 4.56 1.02 -1.26 -3.77 119.74 116.20 1x3h s LYS 17 Ca 0.69 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 1x3h s LYS 17 Cb -0.13 0.36 -0.12 0.00 -0.52 0.00 0.00 37.83 37.41 1x3h s LYS 17 CO 0.57 -0.27 1.37 0.00 -0.92 0.00 0.00 175.35 176.10 1x3h n GLY 19 N 1.11 2.30 0.66 0.00 0.00 -1.06 -1.67 105.19 106.52 1x3h n GLY 19 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.19 -0.01 0.00 -0.02 0.00 -1.26 -4.92 105.19 100.17 1x3h n GLY 20 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.75 -4.81 -4.67 0.00 5.15 -0.67 -4.98 115.26 103.52 1x3h n ASN 22 Ca -0.01 -0.34 -0.29 0.00 -0.60 0.00 0.00 54.58 53.34 1x3h n ASN 22 Cb 0.30 -3.41 -0.08 0.00 -0.53 0.00 0.00 39.78 36.06 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x3h s ARG 23 N -5.82 2.48 -0.55 1.20 0.52 -1.26 -4.80 118.95 110.71 1x3h s ARG 23 Ca 0.37 -0.94 -0.27 0.00 -0.52 0.00 0.00 55.73 54.37 1x3h s ARG 23 Cb -0.16 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 1x3h s ARG 23 CO 0.46 0.51 1.83 -1.25 0.02 0.00 0.00 175.30 176.87 1x3h s PRO 24 N -2.52 2.80 -0.04 3.54 0.04 -1.26 -1.39 135.00 136.17 1x3h s PRO 24 Ca 0.26 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 1x3h s PRO 24 Cb -0.11 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 1x3h s PRO 24 CO 0.18 -2.52 0.76 0.14 0.04 0.00 0.00 177.00 175.60 1x3h s VAL 25 N 8.52 4.96 0.09 -0.36 -7.23 -1.25 -4.91 120.40 120.23 1x3h s VAL 25 Ca 0.69 1.59 0.00 0.00 -1.81 0.00 0.00 61.98 62.45 1x3h s VAL 25 Cb -0.14 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.69 1x3h s VAL 25 CO 0.24 0.25 0.00 0.18 -0.31 0.00 0.00 175.10 175.46 1x3h n LEU 26 N 3.64 0.21 -4.74 1.32 4.77 -1.26 -4.89 117.00 116.06 1x3h n LEU 26 Ca -0.00 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.77 1x3h n LEU 26 Cb 0.51 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1x3h n LEU 26 CO 0.48 -0.48 -0.24 -1.83 -1.33 0.00 0.00 177.39 173.98 1x3h s GLU 27 N -2.00 3.44 -1.20 3.23 -1.05 -1.26 -4.53 118.70 115.34 1x3h s GLU 27 Ca 0.00 -0.29 -0.03 0.00 -0.15 0.00 0.00 54.97 54.51 1x3h s GLU 27 Cb 0.00 -3.06 -0.01 0.00 -0.44 0.00 0.00 34.13 30.61 1x3h s GLU 27 CO 0.00 0.60 0.87 0.09 0.95 0.00 0.00 175.26 177.78 1x3h n ASN 28 N 2.49 -2.90 -4.54 0.83 4.13 -1.26 -5.01 115.26 109.01 1x3h n ASN 28 Ca -0.18 -0.73 -0.28 0.00 1.68 0.00 0.00 54.58 55.07 1x3h n ASN 28 Cb 0.54 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 33.99 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 -3.47 2.61 0.39 3.10 1.13 -1.26 -4.11 117.35 115.73 1x3h s TYR 29 Ca 0.12 -0.23 0.08 0.00 -1.41 0.00 0.00 57.07 55.63 1x3h s TYR 29 Cb -0.02 -1.32 -0.02 0.00 -1.10 0.00 0.00 41.96 39.49 1x3h s TYR 29 CO 0.77 0.46 0.36 -0.51 -2.51 0.00 0.00 175.55 174.12 1x3h s LEU 30 N -2.52 3.48 -0.33 -3.49 1.02 -0.91 -4.94 118.68 111.00 1x3h s LEU 30 Ca 0.22 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 1x3h s LEU 30 Cb -0.10 -2.15 0.11 0.00 0.02 0.00 0.00 46.19 44.07 1x3h s LEU 30 CO 0.13 -0.56 0.14 -0.44 0.02 0.00 0.00 176.35 175.65 1x3h s SER 31 N -4.10 3.69 0.14 2.29 0.01 -1.26 -1.67 113.70 112.81 1x3h s SER 31 Ca 0.46 -1.76 0.04 0.00 1.31 0.00 0.00 55.95 56.01 1x3h s SER 31 Cb -0.05 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 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 1.50 1.40 -1.61 1.44 0.00 0.21 -4.82 121.76 119.89 1x3h s ALA 32 Ca 0.12 -1.45 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 1x3h s ALA 32 Cb -0.19 0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.09 1x3h s ALA 32 CO -0.21 -0.09 0.79 -1.33 0.00 0.00 0.00 175.76 174.92 1x3h n MET 33 N -0.08 -3.88 -1.98 0.00 2.81 -1.26 0.85 117.12 113.58 1x3h n MET 33 Ca -0.11 0.44 -0.19 0.00 -1.81 0.00 0.00 57.70 56.04 1x3h n MET 33 Cb 0.60 -5.13 -0.04 0.00 -0.71 0.00 0.00 33.22 27.94 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 -2.76 -5.16 -3.05 7.83 2.03 -1.26 -4.92 116.55 109.25 1x3h n ASP 34 Ca 0.00 0.25 -0.16 0.00 0.52 0.00 0.00 54.79 55.40 1x3h n ASP 34 Cb 0.53 -4.46 -0.05 0.00 -0.72 0.00 0.00 41.12 36.43 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 -3.05 0.00 -4.11 5.18 5.66 0.25 -5.17 114.28 113.04 1x3h n THR 35 Ca -0.20 -2.00 -0.23 0.00 -3.05 0.00 0.00 64.05 58.57 1x3h n THR 35 Cb 0.64 1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 70.50 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 -3.01 4.48 0.35 1.08 -7.23 -1.26 0.67 120.40 115.49 1x3h s VAL 36 Ca 0.33 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1x3h s VAL 36 Cb 0.00 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1x3h s VAL 36 CO 0.23 -0.31 0.46 0.26 -0.31 0.00 0.00 175.10 175.44 1x3h s TRP 37 N -2.07 1.19 -0.05 2.82 0.52 -0.67 -2.56 118.94 118.13 1x3h s TRP 37 Ca 0.33 -1.37 -0.00 0.00 0.02 0.00 0.00 56.10 55.07 1x3h s TRP 37 Cb -0.08 -0.16 -0.03 0.00 -1.15 0.00 0.00 33.47 32.04 1x3h s TRP 37 CO 0.25 -1.13 -0.00 -1.01 0.02 0.00 0.00 176.95 175.07 1x3h s HIS 38 N -2.99 3.11 -2.00 -1.98 3.76 -1.26 -2.13 115.29 111.79 1x3h s HIS 38 Ca 0.32 0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.39 1x3h s HIS 38 Cb -0.00 -1.73 0.15 0.00 1.11 0.00 0.00 32.58 32.11 1x3h s HIS 38 CO 0.22 0.45 0.63 -0.35 -0.85 0.00 0.00 174.74 174.85 1x3h n PRO 39 N 1.81 0.49 0.00 8.40 -0.04 -1.26 -1.16 135.00 143.24 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 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.58 2.66 -0.03 0.54 0.28 -1.26 -4.83 120.64 117.42 1x3h n GLU 40 Ca 0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.80 1x3h n GLU 40 Cb 0.01 -0.84 -0.13 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 -3.94 0.59 -3.89 0.00 7.35 -0.31 -4.80 117.46 112.46 1x3h n PHE 42 Ca -0.30 0.07 -0.09 0.00 -0.76 0.00 0.00 57.45 56.38 1x3h n PHE 42 Cb 0.88 -1.68 -0.05 0.00 0.35 0.00 0.00 39.48 38.98 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 7.23 0.02 1.03 -2.13 -7.23 -1.26 -4.14 120.40 113.92 1x3h s VAL 43 Ca 1.18 -1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.05 1x3h s VAL 43 Cb -0.64 -1.89 0.10 0.00 0.56 0.00 0.00 36.38 34.51 1x3h s VAL 43 CO 0.38 -0.11 0.37 0.00 -0.31 0.00 0.00 175.10 175.43 1x3h n GLY 45 N 1.56 -1.13 0.10 0.00 0.00 -1.17 -3.35 105.19 101.19 1x3h n GLY 45 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.35 1.01 0.12 1.61 9.92 -1.26 -4.63 116.55 120.97 1x3h n ASP 46 Ca -0.03 0.17 0.13 0.00 -0.53 0.00 0.00 54.79 54.53 1x3h n ASP 46 Cb 0.56 -0.61 0.35 0.00 -0.64 0.00 0.00 41.12 40.79 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 -2.36 -1.97 -3.96 0.00 3.01 -1.21 -4.94 117.46 106.03 1x3h n PHE 48 Ca 0.05 0.85 -0.28 0.00 1.01 0.00 0.00 57.45 59.08 1x3h n PHE 48 Cb 0.44 -4.32 -0.04 0.00 -0.01 0.00 0.00 39.48 35.55 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 -3.62 5.20 0.92 4.37 -1.32 -1.26 -4.63 115.64 115.28 1x3h s THR 49 Ca 0.10 -0.61 -0.11 0.00 -1.21 0.00 0.00 61.69 59.86 1x3h s THR 49 Cb -0.05 -3.60 0.14 0.00 -1.51 0.00 0.00 72.50 67.48 1x3h s THR 49 CO 0.82 0.02 1.10 -0.55 -2.21 0.00 0.00 174.62 173.79 1x3h s SER 50 N -2.85 3.15 -0.31 8.08 0.15 -1.26 -1.47 113.70 119.19 1x3h s SER 50 Ca 0.34 1.75 0.10 0.00 0.70 0.00 0.00 55.95 58.84 1x3h s SER 50 Cb -0.12 -2.37 0.46 0.00 -1.71 0.00 0.00 66.02 62.28 1x3h s SER 50 CO 0.27 -2.88 1.16 0.49 1.20 0.00 0.00 173.24 173.48 1x3h n PHE 51 N -4.06 2.53 -0.11 3.44 3.72 -1.26 -4.74 117.46 116.98 1x3h n PHE 51 Ca 0.08 -2.35 -0.15 0.00 -0.05 0.00 0.00 57.45 54.98 1x3h n PHE 51 Cb 0.54 -0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 1x3h n PHE 51 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x3h n SER 52 N -0.64 2.30 -0.27 4.37 3.41 -1.26 -4.55 113.62 116.98 1x3h n SER 52 Ca 0.36 -0.08 0.06 0.00 -0.26 0.00 0.00 58.87 58.94 1x3h n SER 52 Cb 0.89 -0.36 0.16 0.00 -0.26 0.00 0.00 64.21 64.65 1x3h n SER 52 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1x3h h THR 53 N -0.06 0.27 0.00 6.66 1.35 -2.02 -3.44 112.91 115.67 1x3h h THR 53 Ca -0.48 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1x3h h THR 53 Cb 1.71 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1x3h h THR 53 CO -0.09 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.80 1x3h n GLY 54 N -1.45 2.32 3.20 5.82 0.00 -1.26 -5.18 105.19 108.64 1x3h n GLY 54 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1x3h n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 55 N 1.00 0.20 0.34 1.61 0.01 -1.26 -5.05 113.70 110.55 1x3h s SER 55 Ca 0.00 -1.27 0.09 0.00 1.31 0.00 0.00 55.95 56.08 1x3h s SER 55 Cb 0.00 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 66.53 1x3h s SER 55 CO 0.00 -0.81 0.02 0.72 0.41 0.00 0.00 173.24 173.58 1x3h s PHE 56 N -4.10 2.56 -0.18 2.43 -0.71 -1.26 -4.77 117.98 111.95 1x3h s PHE 56 Ca 0.31 -0.43 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 1x3h s PHE 56 Cb 0.07 -1.50 0.03 0.00 -1.21 0.00 0.00 43.02 40.42 1x3h s PHE 56 CO 0.07 0.47 -0.13 -0.06 -1.34 0.00 0.00 175.22 174.23 1x3h s PHE 57 N -2.51 2.45 -0.36 3.49 0.08 -1.08 -5.00 117.98 115.05 1x3h s PHE 57 Ca 0.35 -1.53 -0.29 0.00 0.12 0.00 0.00 56.93 55.58 1x3h s PHE 57 Cb -0.00 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1x3h s PHE 57 CO 0.20 -0.74 1.14 -2.00 -0.10 0.00 0.00 175.22 173.72 1x3h s GLU 58 N 1.39 3.94 -0.16 0.44 2.12 -1.26 -2.68 118.70 122.49 1x3h s GLU 58 Ca 0.01 0.98 -0.00 0.00 0.36 0.00 0.00 54.97 56.31 1x3h s GLU 58 Cb -0.15 -3.81 0.04 0.00 0.26 0.00 0.00 34.13 30.47 1x3h s GLU 58 CO -0.10 -1.08 -0.06 -1.17 -0.54 0.00 0.00 175.26 172.31 1x3h s LEU 59 N 4.03 1.63 -1.58 2.70 2.96 -0.97 -4.73 118.68 122.72 1x3h s LEU 59 Ca 0.48 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1x3h s LEU 59 Cb -0.12 -0.95 0.00 0.00 0.50 0.00 0.00 46.19 45.62 1x3h s LEU 59 CO 0.21 -0.17 0.00 0.47 -1.32 0.00 0.00 176.35 175.55 1x3h n ASP 60 N 4.86 -4.95 -0.90 3.68 8.00 -1.26 -2.25 116.55 123.73 1x3h n ASP 60 Ca -0.12 0.18 -0.05 0.00 0.71 0.00 0.00 54.79 55.51 1x3h n ASP 60 Cb 0.48 -3.99 0.01 0.00 -0.02 0.00 0.00 41.12 37.60 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x3h n GLY 61 N -0.98 0.45 2.98 0.44 0.00 -1.26 -5.05 105.19 101.77 1x3h n GLY 61 Ca -0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.86 0.14 -0.22 1.61 3.00 -0.95 -5.12 118.95 112.55 1x3h s ARG 62 Ca 0.08 0.49 -0.29 0.00 0.00 0.00 0.00 55.73 56.01 1x3h s ARG 62 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 34.95 34.74 1x3h s ARG 62 CO 0.09 -0.19 1.61 -1.25 0.00 0.00 0.00 175.30 175.57 1x3h s PRO 63 N 1.41 3.80 0.42 3.54 0.04 -1.26 -2.28 135.00 140.67 1x3h s PRO 63 Ca -0.07 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1x3h s PRO 63 Cb -0.11 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 1x3h s PRO 63 CO -0.07 -1.29 0.10 -0.06 0.04 0.00 0.00 177.00 175.72 1x3h s PHE 64 N 5.17 1.83 -0.10 0.56 0.08 -1.09 -3.05 117.98 121.38 1x3h s PHE 64 Ca 0.71 -1.18 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 1x3h s PHE 64 Cb -0.25 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1x3h s PHE 64 CO 0.29 -0.15 -0.02 0.00 -0.10 0.00 0.00 175.22 175.24 1x3h n GLU 66 N 2.41 -0.17 -0.36 0.00 2.13 -1.26 0.98 120.64 124.36 1x3h n GLU 66 Ca -0.18 0.60 -0.08 0.00 0.66 0.00 0.00 57.16 58.16 1x3h n GLU 66 Cb 0.53 -0.88 -0.07 0.00 0.27 0.00 0.00 31.44 31.29 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 -4.47 -0.87 0.02 4.31 7.94 -1.26 -0.84 117.00 121.82 1x3h n LEU 67 Ca 0.01 1.55 -0.10 0.00 -1.11 0.00 0.00 56.01 56.36 1x3h n LEU 67 Cb 0.10 -0.22 -0.08 0.00 0.53 0.00 0.00 43.42 43.75 1x3h n LEU 67 CO -0.06 -1.28 0.34 0.45 -1.11 0.00 0.00 177.39 175.73 1x3h h HIS 68 N 0.00 -0.13 -0.66 1.96 3.86 0.21 -3.00 115.15 117.39 1x3h h HIS 68 Ca 0.17 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1x3h h HIS 68 Cb 0.38 0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.82 1x3h h HIS 68 CO -0.88 0.35 -0.37 0.98 0.86 0.00 0.00 177.93 178.87 1x3h n TYR 69 N -4.84 -0.25 -0.18 2.45 9.36 0.16 0.14 117.16 124.00 1x3h n TYR 69 Ca -0.07 0.82 -0.08 0.00 3.32 0.00 0.00 57.90 61.89 1x3h n TYR 69 Cb 0.27 -0.58 0.02 0.00 -0.63 0.00 0.00 39.34 38.42 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 0.72 -0.23 2.98 3.86 -1.12 -1.91 115.15 119.46 1x3h h HIS 70 Ca 0.12 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1x3h h HIS 70 Cb 0.28 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 1x3h h HIS 70 CO -0.66 0.56 -0.19 1.25 0.86 0.00 0.00 177.93 179.75 1x3h h HIS 71 N 0.68 -0.48 -0.03 2.45 -0.00 0.14 -1.17 115.15 116.74 1x3h h HIS 71 Ca 0.18 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1x3h h HIS 71 Cb 0.10 0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1x3h h HIS 71 CO -0.01 -0.26 0.02 0.00 -0.00 0.00 0.00 177.93 177.67 1x3h h ARG 72 N -0.19 0.03 -0.67 5.26 3.08 -0.39 -2.81 114.38 118.70 1x3h h ARG 72 Ca 0.13 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.32 1x3h h ARG 72 Cb 0.39 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.32 1x3h h ARG 72 CO -0.34 0.03 0.06 0.00 -1.07 0.00 0.00 179.97 178.65 1x3h h ARG 73 N 0.03 0.17 -2.78 0.04 3.08 -0.85 -3.41 114.38 110.66 1x3h h ARG 73 Ca 0.01 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1x3h h ARG 73 Cb -0.00 -0.04 -0.28 0.00 0.08 0.00 0.00 29.97 29.74 1x3h h ARG 73 CO -0.00 0.11 -0.36 0.20 -1.07 0.00 0.00 179.97 178.84 1x3h s GLY 74 N -3.48 -0.26 -0.27 0.04 0.00 -0.49 -5.05 107.32 97.82 1x3h s GLY 74 Ca -0.13 1.33 -0.08 0.00 0.00 0.00 0.00 44.72 45.84 1x3h s GLY 74 CO 0.75 1.52 -0.31 -1.14 0.00 0.00 0.00 173.10 173.91 1x3h n SER 75 N 4.22 1.96 0.00 1.64 3.41 -1.22 -4.37 113.62 119.25 1x3h n SER 75 Ca -0.24 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1x3h n SER 75 Cb 0.54 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1x3h n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3h n GLY 76 N 1.63 -3.46 0.00 5.00 0.00 -1.26 -4.39 105.19 102.71 1x3h n GLY 76 Ca -0.51 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 43.55 1x3h n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3h n PRO 77 N -0.15 0.49 -0.83 1.61 -0.04 -1.26 -4.90 135.00 129.93 1x3h n PRO 77 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1x3h n PRO 77 Cb 0.00 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1x3h n PRO 77 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x3h n SER 78 N -0.67 -1.95 -4.58 3.54 3.41 -1.26 -4.86 113.62 107.26 1x3h n SER 78 Ca 0.04 0.50 -0.40 0.00 -0.26 0.00 0.00 58.87 58.75 1x3h n SER 78 Cb 0.02 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.32 1x3h n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x3h s SER 79 N -0.64 6.23 0.00 4.04 1.04 -1.26 -5.20 113.70 117.91 1x3h s SER 79 Ca 0.38 0.05 0.21 0.00 0.48 0.00 0.00 55.95 57.07 1x3h s SER 79 Cb -0.39 -2.21 1.27 0.00 0.10 0.00 0.00 66.02 64.79 1x3h s SER 79 CO 0.41 -0.28 1.65 0.61 0.98 0.00 0.00 173.24 176.62