#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 0.08 -0.14 1.61 0.01 -1.26 -5.18 113.70 108.82 1x3h s SER 2 Ca 0.00 -1.10 -0.32 0.00 1.31 0.00 0.00 55.95 55.84 1x3h s SER 2 Cb 0.00 0.44 0.13 0.00 0.21 0.00 0.00 66.02 66.80 1x3h s SER 2 CO 0.00 -0.92 1.10 -0.55 0.41 0.00 0.00 173.24 173.28 1x3h s SER 3 N -3.05 -0.22 -0.25 2.44 0.15 -1.26 -5.17 113.70 106.34 1x3h s SER 3 Ca 0.26 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 1x3h s SER 3 Cb 0.04 0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1x3h s SER 3 CO 0.06 -0.35 0.57 -0.83 1.20 0.00 0.00 173.24 173.89 1x3h s GLY 4 N -2.12 -0.55 -0.03 9.45 0.00 -1.26 -5.15 107.32 107.67 1x3h s GLY 4 Ca 0.07 2.04 0.00 0.00 0.00 0.00 0.00 44.72 46.84 1x3h s GLY 4 CO -0.06 2.44 0.00 -0.45 0.00 0.00 0.00 173.10 175.04 1x3h s SER 5 N 2.12 0.38 -0.21 1.64 0.15 -1.26 -5.14 113.70 111.38 1x3h s SER 5 Ca -0.07 -0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 1x3h s SER 5 Cb -0.09 -0.21 0.13 0.00 -1.71 0.00 0.00 66.02 64.14 1x3h s SER 5 CO -0.17 -0.10 1.04 -0.94 1.20 0.00 0.00 173.24 174.27 1x3h s SER 6 N 1.01 -0.38 0.01 5.45 1.04 -1.26 -5.18 113.70 114.39 1x3h s SER 6 Ca -0.10 0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.92 1x3h s SER 6 Cb -0.14 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1x3h s SER 6 CO -0.02 -0.25 -0.09 -0.83 0.98 0.00 0.00 173.24 173.04 1x3h s GLY 7 N -0.55 0.47 -0.24 7.32 0.00 -1.26 -5.14 107.32 107.93 1x3h s GLY 7 Ca 0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 44.72 44.13 1x3h s GLY 7 CO -0.02 -0.47 0.54 -1.59 0.00 0.00 0.00 173.10 171.55 1x3h s LYS 8 N -0.63 0.48 -0.73 2.90 -2.85 -1.26 -5.09 119.74 112.56 1x3h s LYS 8 Ca 0.00 1.19 -0.31 0.00 -1.00 0.00 0.00 55.97 55.85 1x3h s LYS 8 Cb -0.05 0.47 -0.18 0.00 -2.06 0.00 0.00 37.83 36.00 1x3h s LYS 8 CO 0.00 -0.21 2.20 -0.40 0.10 0.00 0.00 175.35 177.04 1x3h n ASP 9 N 5.13 0.39 -3.92 0.03 5.75 -1.26 -4.84 116.55 117.83 1x3h n ASP 9 Ca -0.13 0.30 -0.28 0.00 -0.01 0.00 0.00 54.79 54.67 1x3h n ASP 9 Cb 0.51 -0.80 0.23 0.00 -1.03 0.00 0.00 41.12 40.04 1x3h n ASP 9 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1x3h n PHE 10 N 8.31 -2.26 -1.44 2.11 1.16 -1.26 -4.66 117.46 119.43 1x3h n PHE 10 Ca 0.55 -0.26 -0.47 0.00 -1.87 0.00 0.00 57.45 55.40 1x3h n PHE 10 Cb 0.01 -1.50 -0.10 0.00 -1.61 0.00 0.00 39.48 36.27 1x3h n PHE 10 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1x3h n LEU 11 N -3.76 1.26 -0.02 5.98 -0.00 -1.26 -4.70 117.00 114.51 1x3h n LEU 11 Ca 0.06 0.24 -0.03 0.00 -0.00 0.00 0.00 56.01 56.28 1x3h n LEU 11 Cb 0.54 -1.13 -0.02 0.00 -0.00 0.00 0.00 43.42 42.82 1x3h n LEU 11 CO 0.45 -0.87 -0.62 0.00 -0.00 0.00 0.00 177.39 176.35 1x3h n ALA 12 N 10.57 2.13 -3.75 1.96 0.00 -1.26 -5.00 120.51 125.16 1x3h n ALA 12 Ca 0.52 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1x3h n ALA 12 Cb 0.16 0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1x3h n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x3h n MET 13 N -2.75 -0.84 -0.34 0.00 2.81 -1.26 -4.72 117.12 110.03 1x3h n MET 13 Ca -0.07 0.09 0.01 0.00 -1.81 0.00 0.00 57.70 55.93 1x3h n MET 13 Cb 0.56 -3.18 0.07 0.00 -0.71 0.00 0.00 33.22 29.96 1x3h n MET 13 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 1x3h n PHE 14 N -3.24 0.13 -1.44 2.03 -1.74 -1.26 -4.50 117.46 107.44 1x3h n PHE 14 Ca -0.01 1.10 -0.40 0.00 -0.56 0.00 0.00 57.45 57.58 1x3h n PHE 14 Cb 0.38 -0.90 0.02 0.00 1.52 0.00 0.00 39.48 40.50 1x3h n PHE 14 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1x3h n SER 15 N -5.36 -1.21 -4.41 5.98 7.64 -1.26 -4.95 113.62 110.05 1x3h n SER 15 Ca 0.11 0.82 -0.29 0.00 1.01 0.00 0.00 58.87 60.52 1x3h n SER 15 Cb 0.39 -1.11 0.20 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.70 -0.18 0.05 1.43 0.04 -1.26 -4.98 135.00 128.40 1x3h s PRO 16 Ca 0.64 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 1x3h s PRO 16 Cb -0.53 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1x3h s PRO 16 CO 0.58 -3.09 0.07 0.15 0.04 0.00 0.00 177.00 174.74 1x3h s LYS 17 N -5.10 0.63 0.38 4.56 1.02 -1.26 -3.50 119.74 116.46 1x3h s LYS 17 Ca 0.67 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 55.47 1x3h s LYS 17 Cb -0.16 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.28 1x3h s LYS 17 CO 0.57 -0.15 1.47 0.00 -0.92 0.00 0.00 175.35 176.32 1x3h n GLY 19 N 0.48 2.32 2.03 0.00 0.00 -1.06 -1.98 105.19 106.98 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 1.18 -0.50 0.00 -0.02 0.00 -1.26 -4.92 105.19 99.67 1x3h n GLY 20 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.53 -5.07 -4.66 0.00 4.13 -0.84 -4.98 115.26 102.31 1x3h n ASN 22 Ca 0.04 -0.51 -0.30 0.00 1.68 0.00 0.00 54.58 55.49 1x3h n ASN 22 Cb 0.34 -4.64 -0.08 0.00 -1.54 0.00 0.00 39.78 33.85 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 -5.97 2.44 -0.60 3.52 0.52 -1.26 -4.79 118.95 112.81 1x3h s ARG 23 Ca 0.41 -0.91 -0.27 0.00 -0.52 0.00 0.00 55.73 54.45 1x3h s ARG 23 Cb -0.18 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 1x3h s ARG 23 CO 0.66 0.52 1.86 -1.25 0.02 0.00 0.00 175.30 177.11 1x3h s PRO 24 N -2.37 2.66 -0.19 3.54 0.04 -1.26 -1.00 135.00 136.42 1x3h s PRO 24 Ca 0.25 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 1x3h s PRO 24 Cb -0.11 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1x3h s PRO 24 CO 0.17 -2.69 1.01 0.14 0.04 0.00 0.00 177.00 175.67 1x3h s VAL 25 N 8.97 4.73 -0.08 -0.36 -7.23 -1.23 -4.93 120.40 120.27 1x3h s VAL 25 Ca 0.68 1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 62.73 1x3h s VAL 25 Cb -0.13 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.49 1x3h s VAL 25 CO 0.21 -0.11 -0.19 0.18 -0.31 0.00 0.00 175.10 174.89 1x3h n LEU 26 N 5.84 1.25 -4.87 1.32 4.77 -1.26 -4.85 117.00 119.19 1x3h n LEU 26 Ca 0.10 0.20 -0.27 0.00 -0.03 0.00 0.00 56.01 56.02 1x3h n LEU 26 Cb 0.47 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1x3h n LEU 26 CO 0.52 -0.42 -0.01 -1.61 -1.33 0.00 0.00 177.39 174.54 1x3h s GLU 27 N -2.21 2.25 -1.07 3.23 0.41 -1.26 -4.71 118.70 115.34 1x3h s GLU 27 Ca -0.16 -2.05 -0.03 0.00 -0.41 0.00 0.00 54.97 52.32 1x3h s GLU 27 Cb 0.02 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1x3h s GLU 27 CO 0.23 -0.54 0.06 0.09 -0.49 0.00 0.00 175.26 174.62 1x3h n ASN 28 N -1.65 0.23 -4.39 -0.19 5.03 -1.26 -4.90 115.26 108.14 1x3h n ASN 28 Ca -0.04 -0.91 -0.28 0.00 0.87 0.00 0.00 54.58 54.21 1x3h n ASN 28 Cb 0.65 -1.13 -0.13 0.00 -1.02 0.00 0.00 39.78 38.15 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1x3h s TYR 29 N -3.98 2.26 0.40 3.10 -0.85 -1.26 -4.15 117.35 112.87 1x3h s TYR 29 Ca 0.04 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.29 1x3h s TYR 29 Cb -0.02 -1.21 -0.00 0.00 0.38 0.00 0.00 41.96 41.10 1x3h s TYR 29 CO 0.71 0.35 0.48 -0.51 -1.52 0.00 0.00 175.55 175.06 1x3h s LEU 30 N -2.12 3.63 -0.33 -3.49 1.02 -0.86 -4.93 118.68 111.59 1x3h s LEU 30 Ca 0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 53.80 1x3h s LEU 30 Cb -0.10 -2.47 0.11 0.00 0.02 0.00 0.00 46.19 43.75 1x3h s LEU 30 CO 0.06 -0.65 0.14 -0.44 0.02 0.00 0.00 176.35 175.49 1x3h s SER 31 N -4.24 3.72 0.18 2.29 0.01 -1.26 -1.37 113.70 113.03 1x3h s SER 31 Ca 0.51 -1.82 0.04 0.00 1.31 0.00 0.00 55.95 55.98 1x3h s SER 31 Cb -0.08 -0.73 -0.05 0.00 0.21 0.00 0.00 66.02 65.38 1x3h s SER 31 CO 0.31 -0.38 -0.05 0.00 0.41 0.00 0.00 173.24 173.53 1x3h s ALA 32 N 1.42 1.53 -1.65 1.44 0.00 0.19 -4.82 121.76 119.87 1x3h s ALA 32 Ca 0.12 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1x3h s ALA 32 Cb -0.19 0.30 0.13 0.00 0.00 0.00 0.00 23.12 23.36 1x3h s ALA 32 CO -0.19 -0.20 0.84 -1.33 0.00 0.00 0.00 175.76 174.88 1x3h n MET 33 N -0.27 -3.86 -2.00 0.00 2.81 -1.26 0.97 117.12 113.52 1x3h n MET 33 Ca -0.08 0.44 -0.20 0.00 -1.81 0.00 0.00 57.70 56.05 1x3h n MET 33 Cb 0.62 -5.20 -0.05 0.00 -0.71 0.00 0.00 33.22 27.89 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 -2.72 -5.40 -2.37 7.83 9.92 -1.26 -4.92 116.55 117.63 1x3h n ASP 34 Ca 0.06 0.25 -0.11 0.00 -0.53 0.00 0.00 54.79 54.46 1x3h n ASP 34 Cb 0.51 -4.65 -0.03 0.00 -0.64 0.00 0.00 41.12 36.31 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1x3h n THR 35 N -3.12 0.00 -4.12 -3.53 5.66 0.27 -5.18 114.28 104.27 1x3h n THR 35 Ca -0.22 -1.29 -0.25 0.00 -3.05 0.00 0.00 64.05 59.25 1x3h n THR 35 Cb 0.66 0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 70.14 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 -2.73 4.31 0.31 1.08 -7.23 -1.26 0.55 120.40 115.43 1x3h s VAL 36 Ca 0.21 -1.24 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1x3h s VAL 36 Cb -0.00 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 1x3h s VAL 36 CO 0.15 -0.17 0.31 0.26 -0.31 0.00 0.00 175.10 175.34 1x3h s TRP 37 N -1.85 1.48 -0.05 2.82 0.52 -0.47 -2.57 118.94 118.81 1x3h s TRP 37 Ca 0.31 -1.52 -0.01 0.00 0.02 0.00 0.00 56.10 54.90 1x3h s TRP 37 Cb -0.09 -0.52 -0.03 0.00 -1.15 0.00 0.00 33.47 31.67 1x3h s TRP 37 CO 0.23 -0.91 0.01 -1.01 0.02 0.00 0.00 176.95 175.29 1x3h s HIS 38 N -3.46 3.14 -2.00 -1.98 3.76 -1.26 -2.04 115.29 111.46 1x3h s HIS 38 Ca 0.38 0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1x3h s HIS 38 Cb 0.02 -1.75 0.23 0.00 1.11 0.00 0.00 32.58 32.19 1x3h s HIS 38 CO 0.23 0.47 0.69 -0.35 -0.85 0.00 0.00 174.74 174.94 1x3h n PRO 39 N 1.85 0.49 0.00 8.40 -0.04 -1.26 -1.13 135.00 143.31 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 -1.12 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 2.86 -0.08 0.54 0.28 -1.26 -4.84 120.64 117.52 1x3h n GLU 40 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.81 1x3h n GLU 40 Cb 0.01 -0.87 -0.12 0.00 1.43 0.00 0.00 31.44 31.89 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 -4.22 0.33 -3.96 0.00 7.35 -0.28 -4.80 117.46 111.88 1x3h n PHE 42 Ca -0.33 0.02 -0.09 0.00 -0.76 0.00 0.00 57.45 56.28 1x3h n PHE 42 Cb 0.77 -1.14 -0.07 0.00 0.35 0.00 0.00 39.48 39.38 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 4.23 0.09 1.04 -2.13 -7.23 -1.26 -4.23 120.40 110.91 1x3h s VAL 43 Ca 1.22 -1.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.82 1x3h s VAL 43 Cb -0.69 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 34.55 1x3h s VAL 43 CO 0.44 -0.41 0.05 0.00 -0.31 0.00 0.00 175.10 174.88 1x3h n GLY 45 N 1.96 -1.07 0.22 0.00 0.00 -0.72 -3.25 105.19 102.33 1x3h n GLY 45 Ca 0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.06 1.81 0.14 1.61 8.00 -1.26 -4.68 116.55 120.11 1x3h n ASP 46 Ca -0.01 0.30 0.11 0.00 0.71 0.00 0.00 54.79 55.90 1x3h n ASP 46 Cb 0.49 -0.68 0.05 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.83 -2.51 -3.85 0.00 3.72 -1.20 -4.94 117.46 105.85 1x3h n PHE 48 Ca 0.01 0.96 -0.31 0.00 -0.05 0.00 0.00 57.45 58.06 1x3h n PHE 48 Cb 0.56 -4.99 -0.04 0.00 -0.94 0.00 0.00 39.48 34.07 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 -3.33 5.33 1.33 4.37 -1.32 -1.26 -4.58 115.64 116.17 1x3h s THR 49 Ca 0.31 -0.29 -0.19 0.00 -1.21 0.00 0.00 61.69 60.31 1x3h s THR 49 Cb -0.14 -3.63 0.33 0.00 -1.51 0.00 0.00 72.50 67.55 1x3h s THR 49 CO 0.71 0.10 0.88 -0.24 -2.21 0.00 0.00 174.62 173.86 1x3h n SER 50 N 0.20 -3.06 -3.81 8.08 2.88 -1.26 -1.68 113.62 114.96 1x3h n SER 50 Ca -0.04 -0.53 -0.29 0.00 -1.33 0.00 0.00 58.87 56.67 1x3h n SER 50 Cb 0.51 -1.10 -0.13 0.00 -0.75 0.00 0.00 64.21 62.74 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 -2.24 2.71 0.10 0.66 0.08 -1.26 -4.77 117.98 113.27 1x3h s PHE 51 Ca 0.67 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.81 1x3h s PHE 51 Cb -0.18 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1x3h s PHE 51 CO 0.60 -0.70 0.00 0.45 -0.10 0.00 0.00 175.22 175.47 1x3h n SER 52 N 2.89 0.12 -0.23 1.36 2.88 -1.26 -4.83 113.62 114.55 1x3h n SER 52 Ca 0.13 0.16 0.03 0.00 -1.33 0.00 0.00 58.87 57.86 1x3h n SER 52 Cb 0.35 0.07 0.13 0.00 -0.75 0.00 0.00 64.21 64.01 1x3h n SER 52 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1x3h h THR 53 N 0.00 0.45 -3.37 2.46 1.35 -2.03 -3.41 112.91 108.37 1x3h h THR 53 Ca 0.00 -0.05 -0.24 0.00 -0.55 0.00 0.00 66.41 65.57 1x3h h THR 53 Cb 0.20 0.30 -0.31 0.00 -1.73 0.00 0.00 68.15 66.62 1x3h h THR 53 CO 0.00 0.02 -0.62 -0.83 -0.25 0.00 0.00 175.52 173.85 1x3h s GLY 54 N -3.51 -0.03 -0.26 5.82 0.00 -1.26 -5.11 107.32 102.98 1x3h s GLY 54 Ca -0.13 0.50 -0.43 0.00 0.00 0.00 0.00 44.72 44.66 1x3h s GLY 54 CO 0.74 0.72 1.43 1.44 0.00 0.00 0.00 173.10 177.44 1x3h n SER 55 N 3.84 1.06 -4.34 1.64 7.64 -1.26 -4.85 113.62 117.35 1x3h n SER 55 Ca -0.22 1.16 -0.33 0.00 1.01 0.00 0.00 58.87 60.48 1x3h n SER 55 Cb 0.54 -0.96 0.12 0.00 -1.01 0.00 0.00 64.21 62.90 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 3.30 -1.76 -4.70 1.43 -1.74 -1.26 -4.83 117.46 107.91 1x3h n PHE 56 Ca 0.26 0.20 -0.29 0.00 -0.56 0.00 0.00 57.45 57.06 1x3h n PHE 56 Cb 0.04 -1.70 -0.17 0.00 1.52 0.00 0.00 39.48 39.17 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 -2.32 2.06 -0.32 2.97 0.40 -1.05 -5.01 117.98 114.70 1x3h s PHE 57 Ca 0.55 -0.90 -0.28 0.00 -0.60 0.00 0.00 56.93 55.70 1x3h s PHE 57 Cb -0.18 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.92 1x3h s PHE 57 CO 0.68 -0.43 1.03 -2.00 0.70 0.00 0.00 175.22 175.20 1x3h s GLU 58 N 0.73 4.04 -0.06 0.44 2.12 -1.26 -2.43 118.70 122.28 1x3h s GLU 58 Ca -0.12 0.98 -0.02 0.00 0.36 0.00 0.00 54.97 56.18 1x3h s GLU 58 Cb -0.16 -3.74 0.03 0.00 0.26 0.00 0.00 34.13 30.52 1x3h s GLU 58 CO 0.02 -0.87 0.02 -1.17 -0.54 0.00 0.00 175.26 172.73 1x3h s LEU 59 N 3.54 0.43 -1.34 2.70 0.20 -0.92 -4.83 118.68 118.46 1x3h s LEU 59 Ca 0.43 -0.03 -0.09 0.00 0.69 0.00 0.00 54.13 55.14 1x3h s LEU 59 Cb -0.12 -0.33 0.01 0.00 -0.43 0.00 0.00 46.19 45.31 1x3h s LEU 59 CO 0.15 -0.21 1.16 -0.67 -0.29 0.00 0.00 176.35 176.48 1x3h n ASP 60 N 5.20 -6.32 -2.75 3.68 2.03 -1.26 -1.85 116.55 115.28 1x3h n ASP 60 Ca -0.06 -0.53 -0.21 0.00 0.52 0.00 0.00 54.79 54.52 1x3h n ASP 60 Cb 0.50 -4.95 0.01 0.00 -0.72 0.00 0.00 41.12 35.96 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 -1.98 -0.51 3.04 0.27 0.00 -1.26 -4.97 105.19 99.77 1x3h n GLY 61 Ca 0.01 0.06 -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 -5.41 0.19 -0.04 1.61 0.52 -0.77 -5.13 118.95 109.92 1x3h s ARG 62 Ca 0.16 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 1x3h s ARG 62 Cb -0.08 0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.40 1x3h s ARG 62 CO 0.20 -0.05 1.48 -1.25 0.02 0.00 0.00 175.30 175.70 1x3h s PRO 63 N 0.29 4.24 0.33 3.54 0.04 -1.26 -2.16 135.00 140.01 1x3h s PRO 63 Ca -0.02 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.07 1x3h s PRO 63 Cb -0.03 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1x3h s PRO 63 CO -0.01 -0.69 0.13 -0.06 0.04 0.00 0.00 177.00 176.41 1x3h s PHE 64 N 3.10 1.70 -0.09 0.56 0.08 -1.02 -1.76 117.98 120.55 1x3h s PHE 64 Ca 0.66 -1.26 -0.00 0.00 0.12 0.00 0.00 56.93 56.44 1x3h s PHE 64 Cb -0.31 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 1x3h s PHE 64 CO 0.26 -0.36 -0.05 0.00 -0.10 0.00 0.00 175.22 174.96 1x3h n GLU 66 N 2.47 -0.12 -0.01 0.00 2.13 -1.26 0.22 120.64 124.07 1x3h n GLU 66 Ca -0.18 0.65 -0.01 0.00 0.66 0.00 0.00 57.16 58.29 1x3h n GLU 66 Cb 0.53 -0.96 -0.00 0.00 0.27 0.00 0.00 31.44 31.27 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 -0.09 -0.00 4.31 5.85 -2.01 -1.60 115.31 121.76 1x3h h LEU 67 Ca 0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1x3h h LEU 67 Cb 0.23 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1x3h h LEU 67 CO -0.42 -0.01 0.00 0.45 -0.34 0.00 0.00 178.44 178.12 1x3h h HIS 68 N -0.01 0.01 -0.64 1.25 3.86 -0.94 -3.07 115.15 115.60 1x3h h HIS 68 Ca 0.01 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1x3h h HIS 68 Cb 0.02 -0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.39 1x3h h HIS 68 CO -0.80 0.09 -0.27 0.98 0.86 0.00 0.00 177.93 178.79 1x3h n TYR 69 N -5.05 -0.04 0.43 2.45 9.36 0.13 0.03 117.16 124.48 1x3h n TYR 69 Ca -0.07 0.79 -0.19 0.00 3.32 0.00 0.00 57.90 61.75 1x3h n TYR 69 Cb 0.07 -0.70 -0.09 0.00 -0.63 0.00 0.00 39.34 37.98 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 -1.01 -0.78 2.98 3.86 -1.23 -2.19 115.15 116.77 1x3h h HIS 70 Ca 0.20 -0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.54 1x3h h HIS 70 Cb 0.36 0.34 -0.15 0.00 1.06 0.00 0.00 27.41 29.02 1x3h h HIS 70 CO -0.58 -0.62 -0.21 0.72 0.86 0.00 0.00 177.93 178.10 1x3h n HIS 71 N -5.54 0.25 -0.06 2.45 8.25 0.10 0.11 115.22 120.78 1x3h n HIS 71 Ca -0.15 0.96 -0.11 0.00 -0.26 0.00 0.00 57.72 58.16 1x3h n HIS 71 Cb 0.44 -0.93 -0.05 0.00 1.12 0.00 0.00 29.99 30.57 1x3h n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x3h h ARG 72 N 0.00 0.31 -0.51 -0.41 3.08 -1.17 -1.56 114.38 114.12 1x3h h ARG 72 Ca 0.36 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.40 1x3h h ARG 72 Cb 0.56 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1x3h h ARG 72 CO -0.80 0.44 0.19 0.00 -1.07 0.00 0.00 179.97 178.73 1x3h h ARG 73 N 0.12 0.36 -0.16 0.04 3.08 0.15 -2.66 114.38 115.31 1x3h h ARG 73 Ca 0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1x3h h ARG 73 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1x3h h ARG 73 CO 0.00 0.24 0.05 0.78 -1.07 0.00 0.00 179.97 179.97 1x3h h GLY 74 N 0.37 0.27 -7.50 0.04 0.00 -0.46 -3.37 103.07 92.41 1x3h h GLY 74 Ca 0.24 -0.16 -0.74 0.00 0.00 0.00 0.00 47.33 46.68 1x3h h GLY 74 CO -0.24 0.15 -0.24 -0.56 0.00 0.00 0.00 176.54 175.65 1x3h s SER 75 N -5.62 5.88 0.38 0.19 0.01 -0.60 -4.98 113.70 108.96 1x3h s SER 75 Ca -0.14 -2.39 -0.16 0.00 1.31 0.00 0.00 55.95 54.57 1x3h s SER 75 Cb 0.07 -2.03 0.06 0.00 0.21 0.00 0.00 66.02 64.33 1x3h s SER 75 CO 0.70 -0.58 0.82 -0.83 0.41 0.00 0.00 173.24 173.77 1x3h s GLY 76 N 2.01 0.39 0.00 3.44 0.00 -1.21 -4.63 107.32 107.31 1x3h s GLY 76 Ca 0.12 -0.76 0.15 0.00 0.00 0.00 0.00 44.72 44.24 1x3h s GLY 76 CO -0.04 -0.07 1.33 -1.55 0.00 0.00 0.00 173.10 172.77 1x3h n PRO 77 N -0.55 0.49 -2.62 2.90 -0.04 -1.26 -4.77 135.00 129.15 1x3h n PRO 77 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 1x3h n PRO 77 Cb 0.60 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1x3h n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3h s SER 78 N -1.99 6.16 1.08 3.54 0.01 -1.26 -5.05 113.70 116.19 1x3h s SER 78 Ca 0.23 0.88 -0.16 0.00 1.31 0.00 0.00 55.95 58.21 1x3h s SER 78 Cb 0.11 -2.15 0.13 0.00 0.21 0.00 0.00 66.02 64.31 1x3h s SER 78 CO 0.18 -0.64 0.34 -1.54 0.41 0.00 0.00 173.24 171.99 1x3h n SER 79 N -2.29 -2.05 0.00 2.44 3.41 -1.26 -5.05 113.62 108.82 1x3h n SER 79 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1x3h n SER 79 Cb 0.56 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1x3h n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49