#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 1.74 0.15 1.61 0.01 -1.26 -5.14 113.70 110.82 1x3h s SER 2 Ca 0.00 -0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.16 1x3h s SER 2 Cb 0.00 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1x3h s SER 2 CO 0.00 -0.23 -0.20 -0.94 0.41 0.00 0.00 173.24 172.28 1x3h s SER 3 N 2.00 2.79 -0.57 2.44 1.04 -1.26 -5.11 113.70 115.03 1x3h s SER 3 Ca 0.04 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 1x3h s SER 3 Cb -0.13 -0.17 0.15 0.00 0.10 0.00 0.00 66.02 65.97 1x3h s SER 3 CO -0.06 0.02 0.38 -0.83 0.98 0.00 0.00 173.24 173.73 1x3h s GLY 4 N -2.47 2.39 -0.71 7.32 0.00 -1.26 -5.04 107.32 107.55 1x3h s GLY 4 Ca 0.14 -3.11 -0.23 0.00 0.00 0.00 0.00 44.72 41.53 1x3h s GLY 4 CO 0.07 1.08 1.04 -0.56 0.00 0.00 0.00 173.10 174.73 1x3h s SER 5 N 0.86 6.22 -0.12 1.64 0.01 -1.26 -4.98 113.70 116.07 1x3h s SER 5 Ca 0.15 -1.00 -0.09 0.00 1.31 0.00 0.00 55.95 56.32 1x3h s SER 5 Cb -0.21 -2.44 0.04 0.00 0.21 0.00 0.00 66.02 63.61 1x3h s SER 5 CO -0.03 -1.48 0.31 -0.44 0.41 0.00 0.00 173.24 172.01 1x3h s SER 6 N 3.73 -0.34 0.00 2.44 0.01 -1.26 -4.95 113.70 113.33 1x3h s SER 6 Ca 0.26 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1x3h s SER 6 Cb -0.14 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1x3h s SER 6 CO 0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1x3h n GLY 7 N 3.44 1.09 0.07 3.44 0.00 -1.26 -5.07 105.19 106.91 1x3h n GLY 7 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1x3h n GLY 7 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x3h h LYS 8 N 0.00 0.00 -5.61 1.61 3.64 -2.03 -3.43 116.57 110.75 1x3h h LYS 8 Ca 0.00 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 1x3h h LYS 8 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 1x3h h LYS 8 CO 0.00 0.40 0.45 0.16 -2.27 0.00 0.00 179.45 178.19 1x3h s ASP 9 N -5.94 6.29 -0.04 4.20 -4.77 -1.26 -4.92 116.67 110.24 1x3h s ASP 9 Ca -0.12 -0.55 -0.23 0.00 -3.30 0.00 0.00 52.55 48.35 1x3h s ASP 9 Cb 0.00 -2.40 -0.17 0.00 -1.09 0.00 0.00 42.92 39.26 1x3h s ASP 9 CO 0.31 -1.18 1.01 -0.26 0.70 0.00 0.00 175.17 175.74 1x3h h PHE 10 N 9.27 -0.19 -3.53 2.11 0.04 -2.04 -3.40 116.94 119.20 1x3h h PHE 10 Ca -0.27 -0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.82 1x3h h PHE 10 Cb 1.08 0.06 -0.37 0.00 2.20 0.00 0.00 35.95 38.92 1x3h h PHE 10 CO 0.88 0.26 -0.57 -1.17 -0.60 0.00 0.00 178.31 177.12 1x3h s LEU 11 N -9.09 4.98 -0.09 1.54 2.96 -1.26 -4.95 118.68 112.76 1x3h s LEU 11 Ca -0.14 -2.40 -0.06 0.00 -0.22 0.00 0.00 54.13 51.32 1x3h s LEU 11 Cb 0.01 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1x3h s LEU 11 CO 0.53 -0.41 -0.12 0.00 -1.32 0.00 0.00 176.35 175.03 1x3h h ALA 12 N 7.47 0.00 -2.77 5.97 0.00 -2.01 -3.47 119.26 124.45 1x3h h ALA 12 Ca -0.07 -0.41 -0.51 0.00 0.00 0.00 0.00 54.91 53.91 1x3h h ALA 12 Cb 0.99 0.33 0.03 0.00 0.00 0.00 0.00 17.79 19.14 1x3h h ALA 12 CO 0.65 0.33 0.53 0.00 0.00 0.00 0.00 179.25 180.77 1x3h s MET 13 N -1.82 4.54 0.00 0.00 0.00 -1.26 -4.91 119.30 115.85 1x3h s MET 13 Ca -0.10 1.90 0.00 0.00 0.00 0.00 0.00 55.69 57.50 1x3h s MET 13 Cb 0.01 -3.19 0.00 0.00 0.00 0.00 0.00 34.83 31.66 1x3h s MET 13 CO 0.14 0.04 0.00 0.34 0.00 0.00 0.00 175.02 175.54 1x3h n PHE 14 N 1.57 0.00 -4.16 3.16 -0.00 -1.26 -5.12 117.46 111.66 1x3h n PHE 14 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.31 1x3h n PHE 14 Cb 0.44 0.23 -0.11 0.00 -0.00 0.00 0.00 39.48 40.04 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1x3h s SER 15 N -4.33 1.39 1.05 -2.13 0.01 -1.26 -5.16 113.70 103.27 1x3h s SER 15 Ca 0.00 -0.74 -0.14 0.00 1.31 0.00 0.00 55.95 56.39 1x3h s SER 15 Cb 0.00 0.00 0.21 0.00 0.21 0.00 0.00 66.02 66.45 1x3h s SER 15 CO 0.00 -0.22 1.10 -2.16 0.41 0.00 0.00 173.24 172.36 1x3h s PRO 16 N -2.41 0.04 0.04 12.44 0.04 -1.26 -4.96 135.00 138.93 1x3h s PRO 16 Ca 0.02 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1x3h s PRO 16 Cb -0.05 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1x3h s PRO 16 CO 0.00 -2.96 -0.04 0.15 0.04 0.00 0.00 177.00 174.19 1x3h s LYS 17 N -5.03 0.51 0.32 4.56 1.02 -1.26 -3.33 119.74 116.53 1x3h s LYS 17 Ca 0.66 -0.92 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 1x3h s LYS 17 Cb -0.17 0.02 -0.13 0.00 -0.52 0.00 0.00 37.83 37.03 1x3h s LYS 17 CO 0.57 -0.04 1.28 0.00 -0.92 0.00 0.00 175.35 176.24 1x3h n GLY 19 N 1.05 2.44 0.89 0.00 0.00 -0.86 -1.85 105.19 106.87 1x3h n GLY 19 Ca 0.06 -0.04 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 1.19 -0.05 0.01 -0.02 0.00 -1.26 -4.93 105.19 100.13 1x3h n GLY 20 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.96 -3.15 -4.77 0.00 5.15 -0.77 -5.00 115.26 104.77 1x3h n ASN 22 Ca -0.02 -0.09 -0.28 0.00 -0.60 0.00 0.00 54.58 53.58 1x3h n ASN 22 Cb 0.36 -2.10 -0.06 0.00 -0.53 0.00 0.00 39.78 37.45 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 -4.89 2.82 -0.56 1.20 0.52 -1.26 -4.80 118.95 111.98 1x3h s ARG 23 Ca 0.10 -0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 54.21 1x3h s ARG 23 Cb -0.04 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 1x3h s ARG 23 CO 0.12 0.51 1.83 -1.25 0.02 0.00 0.00 175.30 176.54 1x3h s PRO 24 N -2.78 2.77 -0.17 3.54 0.04 -1.26 -0.96 135.00 136.18 1x3h s PRO 24 Ca 0.30 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 1x3h s PRO 24 Cb -0.11 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.07 1x3h s PRO 24 CO 0.22 -2.55 0.76 0.14 0.04 0.00 0.00 177.00 175.60 1x3h s VAL 25 N 8.59 4.94 0.00 -0.36 -7.23 -1.21 -4.89 120.40 120.24 1x3h s VAL 25 Ca 0.69 1.47 0.00 0.00 -1.81 0.00 0.00 61.98 62.33 1x3h s VAL 25 Cb -0.14 -4.07 0.00 0.00 0.56 0.00 0.00 36.38 32.73 1x3h s VAL 25 CO 0.23 0.07 0.00 0.18 -0.31 0.00 0.00 175.10 175.27 1x3h n LEU 26 N 5.06 0.78 -4.86 1.32 4.77 -1.26 -4.83 117.00 117.97 1x3h n LEU 26 Ca 0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 1x3h n LEU 26 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1x3h n LEU 26 CO 0.47 0.05 -0.18 -1.83 -1.33 0.00 0.00 177.39 174.57 1x3h s GLU 27 N -1.93 3.16 -1.28 3.23 -1.05 -1.26 -4.55 118.70 115.03 1x3h s GLU 27 Ca 0.00 -0.66 -0.04 0.00 -0.15 0.00 0.00 54.97 54.11 1x3h s GLU 27 Cb 0.00 -2.84 0.01 0.00 -0.44 0.00 0.00 34.13 30.86 1x3h s GLU 27 CO 0.00 0.54 0.08 0.09 0.95 0.00 0.00 175.26 176.92 1x3h n ASN 28 N -0.10 0.21 -4.68 0.83 3.02 -1.26 -4.91 115.26 108.38 1x3h n ASN 28 Ca -0.07 -1.09 -0.31 0.00 -0.03 0.00 0.00 54.58 53.08 1x3h n ASN 28 Cb 0.53 -1.35 -0.08 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.12 2.98 0.36 3.10 1.13 -1.26 -4.10 117.35 115.44 1x3h s TYR 29 Ca 0.06 -0.02 0.07 0.00 -1.41 0.00 0.00 57.07 55.77 1x3h s TYR 29 Cb -0.03 -1.55 -0.01 0.00 -1.10 0.00 0.00 41.96 39.26 1x3h s TYR 29 CO 0.85 0.47 0.42 -0.51 -2.51 0.00 0.00 175.55 174.26 1x3h s LEU 30 N -2.15 3.70 -0.32 -3.49 1.02 -0.97 -4.93 118.68 111.54 1x3h s LEU 30 Ca 0.24 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.96 1x3h s LEU 30 Cb -0.12 -2.45 0.11 0.00 0.02 0.00 0.00 46.19 43.75 1x3h s LEU 30 CO 0.16 -0.51 0.13 -0.44 0.02 0.00 0.00 176.35 175.71 1x3h s SER 31 N -4.15 3.79 0.14 2.29 0.01 -1.26 -1.62 113.70 112.90 1x3h s SER 31 Ca 0.46 -1.69 0.05 0.00 1.31 0.00 0.00 55.95 56.08 1x3h s SER 31 Cb -0.07 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1x3h s SER 31 CO 0.30 -0.40 -0.11 0.00 0.41 0.00 0.00 173.24 173.43 1x3h s ALA 32 N 1.58 1.44 -1.62 1.44 0.00 0.15 -4.81 121.76 119.94 1x3h s ALA 32 Ca 0.11 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 50.53 1x3h s ALA 32 Cb -0.18 0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.06 1x3h s ALA 32 CO -0.24 -0.03 0.68 -1.33 0.00 0.00 0.00 175.76 174.85 1x3h n MET 33 N 0.09 -3.23 -2.31 0.00 2.81 -1.26 0.10 117.12 113.33 1x3h n MET 33 Ca -0.12 0.38 -0.17 0.00 -1.81 0.00 0.00 57.70 55.98 1x3h n MET 33 Cb 0.59 -4.93 -0.02 0.00 -0.71 0.00 0.00 33.22 28.16 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 -2.75 -4.96 -3.35 7.83 -0.08 -1.26 -4.93 116.55 107.06 1x3h n ASP 34 Ca -0.03 0.12 -0.16 0.00 -1.51 0.00 0.00 54.79 53.21 1x3h n ASP 34 Cb 0.55 -4.19 -0.05 0.00 2.34 0.00 0.00 41.12 39.76 1x3h n ASP 34 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1x3h s THR 35 N -2.80 0.00 0.18 5.18 -1.32 0.28 -5.17 115.64 111.99 1x3h s THR 35 Ca 0.00 -1.71 0.05 0.00 -1.21 0.00 0.00 61.69 58.82 1x3h s THR 35 Cb 0.00 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1x3h s THR 35 CO 0.00 0.00 0.17 0.68 -2.21 0.00 0.00 174.62 173.26 1x3h s VAL 36 N -3.24 4.62 0.35 5.08 -7.23 -1.26 0.31 120.40 119.03 1x3h s VAL 36 Ca 0.33 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1x3h s VAL 36 Cb 0.01 -3.39 -0.01 0.00 0.56 0.00 0.00 36.38 33.55 1x3h s VAL 36 CO 0.21 -0.16 0.39 0.79 -0.31 0.00 0.00 175.10 176.03 1x3h n TRP 37 N -0.56 -1.14 -4.55 2.82 7.02 -0.64 -2.02 117.44 118.37 1x3h n TRP 37 Ca -0.08 -2.60 -0.33 0.00 -1.02 0.00 0.00 57.50 53.47 1x3h n TRP 37 Cb 0.55 0.43 -0.11 0.00 -2.42 0.00 0.00 31.31 29.76 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 -3.11 2.87 -2.00 -5.99 3.76 -1.26 -2.29 115.29 107.27 1x3h s HIS 38 Ca 0.35 -0.04 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 1x3h s HIS 38 Cb 0.00 -1.63 0.30 0.00 1.11 0.00 0.00 32.58 32.36 1x3h s HIS 38 CO 0.25 0.34 0.76 -0.35 -0.85 0.00 0.00 174.74 174.89 1x3h n PRO 39 N 1.80 0.49 0.00 8.40 -0.04 -1.26 -1.20 135.00 143.19 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 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.66 2.36 -0.11 0.54 0.28 -1.26 -4.84 120.64 116.95 1x3h n GLU 40 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.80 1x3h n GLU 40 Cb 0.02 -0.85 -0.11 0.00 1.43 0.00 0.00 31.44 31.92 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 -4.32 0.47 -4.12 0.00 7.35 -0.34 -4.79 117.46 111.71 1x3h n PHE 42 Ca -0.38 -0.02 -0.11 0.00 -0.76 0.00 0.00 57.45 56.18 1x3h n PHE 42 Cb 0.76 -1.41 -0.08 0.00 0.35 0.00 0.00 39.48 39.10 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 6.61 0.00 1.06 -2.13 -7.23 -1.26 -4.73 120.40 112.71 1x3h s VAL 43 Ca 0.97 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 1x3h s VAL 43 Cb -0.43 -2.39 0.22 0.00 0.56 0.00 0.00 36.38 34.35 1x3h s VAL 43 CO 0.30 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.17 1x3h n GLY 45 N 0.58 -1.11 0.05 0.00 0.00 -1.24 -3.36 105.19 100.12 1x3h n GLY 45 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.51 1.04 0.20 1.61 8.00 -1.26 -4.62 116.55 119.01 1x3h n ASP 46 Ca -0.09 0.22 0.10 0.00 0.71 0.00 0.00 54.79 55.73 1x3h n ASP 46 Cb 0.71 -0.64 0.14 0.00 -0.02 0.00 0.00 41.12 41.31 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 -3.12 -2.56 -3.16 0.00 3.72 -1.21 -4.94 117.46 106.18 1x3h n PHE 48 Ca 0.04 0.98 -0.36 0.00 -0.05 0.00 0.00 57.45 58.06 1x3h n PHE 48 Cb 0.57 -5.04 -0.06 0.00 -0.94 0.00 0.00 39.48 34.01 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 -3.34 4.64 -1.75 4.37 -1.32 -1.26 -4.59 115.64 112.39 1x3h s THR 49 Ca 0.32 1.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.97 1x3h s THR 49 Cb -0.14 -3.82 0.02 0.00 -1.51 0.00 0.00 72.50 67.05 1x3h s THR 49 CO 0.73 0.19 0.89 -0.24 -2.21 0.00 0.00 174.62 173.99 1x3h n SER 50 N 0.68 0.35 -2.33 8.08 2.88 -1.26 -2.01 113.62 120.01 1x3h n SER 50 Ca -0.03 -2.01 -0.07 0.00 -1.33 0.00 0.00 58.87 55.44 1x3h n SER 50 Cb 0.51 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.83 1x3h n SER 50 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x3h n PHE 51 N -0.33 -1.56 -3.73 0.66 3.72 -1.26 -1.64 117.46 113.31 1x3h n PHE 51 Ca 0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 1x3h n PHE 51 Cb 0.08 -1.97 -0.06 0.00 -0.94 0.00 0.00 39.48 36.58 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 -1.47 -0.20 -3.03 4.37 3.41 -1.26 -0.21 113.62 115.24 1x3h n SER 52 Ca -0.08 -0.90 -0.14 0.00 -0.26 0.00 0.00 58.87 57.49 1x3h n SER 52 Cb 0.53 -1.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1x3h n SER 52 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1x3h n THR 53 N -3.31 -0.24 -0.01 6.66 5.66 -0.65 -4.67 114.28 117.72 1x3h n THR 53 Ca -0.09 -0.12 -0.04 0.00 -3.05 0.00 0.00 64.05 60.75 1x3h n THR 53 Cb 0.42 -0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 68.86 1x3h n THR 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x3h n GLY 54 N -1.26 -0.08 3.64 1.09 0.00 0.71 -5.10 105.19 104.19 1x3h n GLY 54 Ca -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1x3h n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3h s SER 55 N -5.52 -0.45 0.37 1.61 1.04 -1.23 -5.18 113.70 104.33 1x3h s SER 55 Ca -0.06 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.26 1x3h s SER 55 Cb 0.02 0.98 -0.07 0.00 0.10 0.00 0.00 66.02 67.05 1x3h s SER 55 CO 0.07 -0.13 -0.04 0.72 0.98 0.00 0.00 173.24 174.85 1x3h s PHE 56 N 0.71 2.42 -0.13 5.02 -0.71 -1.26 -4.89 117.98 119.13 1x3h s PHE 56 Ca -0.02 -0.61 -0.00 0.00 -1.04 0.00 0.00 56.93 55.26 1x3h s PHE 56 Cb -0.04 -1.56 0.03 0.00 -1.21 0.00 0.00 43.02 40.23 1x3h s PHE 56 CO -0.11 0.48 -0.10 -0.06 -1.34 0.00 0.00 175.22 174.09 1x3h s PHE 57 N -2.71 1.77 -0.26 3.49 0.08 -1.09 -5.03 117.98 114.23 1x3h s PHE 57 Ca 0.34 -0.96 -0.26 0.00 0.12 0.00 0.00 56.93 56.17 1x3h s PHE 57 Cb 0.06 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 1x3h s PHE 57 CO 0.17 -0.58 0.92 -2.00 -0.10 0.00 0.00 175.22 173.62 1x3h s GLU 58 N 1.62 4.16 -0.32 0.44 2.12 -1.26 -1.86 118.70 123.60 1x3h s GLU 58 Ca 0.05 1.04 0.04 0.00 0.36 0.00 0.00 54.97 56.45 1x3h s GLU 58 Cb -0.13 -3.67 0.09 0.00 0.26 0.00 0.00 34.13 30.69 1x3h s GLU 58 CO -0.09 -0.62 0.01 -1.17 -0.54 0.00 0.00 175.26 172.85 1x3h s LEU 59 N 3.06 4.35 -0.87 2.70 0.20 0.47 -4.72 118.68 123.86 1x3h s LEU 59 Ca 0.39 -1.95 -0.04 0.00 0.69 0.00 0.00 54.13 53.21 1x3h s LEU 59 Cb -0.15 -1.58 0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1x3h s LEU 59 CO 0.09 -0.34 0.75 -0.67 -0.29 0.00 0.00 176.35 175.89 1x3h n ASP 60 N 4.32 -4.09 -1.76 3.68 2.03 -1.26 -2.82 116.55 116.65 1x3h n ASP 60 Ca -0.01 -0.37 -0.14 0.00 0.52 0.00 0.00 54.79 54.79 1x3h n ASP 60 Cb 0.42 -3.54 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -1.39 -0.17 3.03 0.27 0.00 -1.26 -5.01 105.19 100.66 1x3h n GLY 61 Ca -0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.91 0.19 0.08 1.61 0.52 -1.13 -5.14 118.95 110.18 1x3h s ARG 62 Ca 0.07 0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 55.35 1x3h s ARG 62 Cb -0.03 -0.03 -0.07 0.00 0.52 0.00 0.00 34.95 35.34 1x3h s ARG 62 CO 0.09 -0.10 1.38 -1.25 0.02 0.00 0.00 175.30 175.44 1x3h s PRO 63 N 0.71 4.32 0.16 3.54 0.04 -1.26 -0.40 135.00 142.11 1x3h s PRO 63 Ca -0.05 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1x3h s PRO 63 Cb -0.06 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1x3h s PRO 63 CO -0.04 -0.46 0.31 -0.06 0.04 0.00 0.00 177.00 176.79 1x3h s PHE 64 N 1.43 0.28 -0.16 0.56 0.08 -0.77 -3.62 117.98 115.78 1x3h s PHE 64 Ca 0.64 -0.65 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 1x3h s PHE 64 Cb -0.35 0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.07 1x3h s PHE 64 CO 0.29 -0.73 0.20 0.00 -0.10 0.00 0.00 175.22 174.88 1x3h n GLU 66 N 3.12 -0.15 -0.13 0.00 2.13 -1.26 0.14 120.64 124.49 1x3h n GLU 66 Ca -0.15 0.58 -0.03 0.00 0.66 0.00 0.00 57.16 58.22 1x3h n GLU 66 Cb 0.53 -0.86 -0.03 0.00 0.27 0.00 0.00 31.44 31.35 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 -4.50 -0.32 -0.07 4.31 7.94 -1.26 -1.19 117.00 121.92 1x3h n LEU 67 Ca 0.01 1.08 -0.12 0.00 -1.11 0.00 0.00 56.01 55.87 1x3h n LEU 67 Cb 0.11 -0.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.67 1x3h n LEU 67 CO -0.06 -0.71 0.72 0.45 -1.11 0.00 0.00 177.39 176.68 1x3h h HIS 68 N 0.00 0.45 -0.69 1.96 3.86 -0.70 -3.24 115.15 116.78 1x3h h HIS 68 Ca 0.05 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.25 1x3h h HIS 68 Cb 0.12 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.38 1x3h h HIS 68 CO -0.82 0.63 -0.35 0.98 0.86 0.00 0.00 177.93 179.23 1x3h n TYR 69 N -4.62 -0.16 -0.27 2.45 4.19 0.11 0.26 117.16 119.12 1x3h n TYR 69 Ca -0.04 0.86 0.02 0.00 3.31 0.00 0.00 57.90 62.05 1x3h n TYR 69 Cb 0.27 -0.65 0.24 0.00 0.49 0.00 0.00 39.34 39.69 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 1.01 0.44 2.98 3.86 -1.30 0.89 115.15 123.03 1x3h h HIS 70 Ca 0.17 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1x3h h HIS 70 Cb 0.34 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1x3h h HIS 70 CO -0.67 0.58 -0.21 1.25 0.86 0.00 0.00 177.93 179.74 1x3h h HIS 71 N 1.04 -0.54 -0.09 2.45 -0.00 0.36 -3.04 115.15 115.33 1x3h h HIS 71 Ca 0.34 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.74 1x3h h HIS 71 Cb 0.06 0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 27.59 1x3h h HIS 71 CO -0.00 -0.34 -0.34 0.00 -0.00 0.00 0.00 177.93 177.25 1x3h h ARG 72 N -0.95 -0.43 -0.92 5.26 3.08 0.10 0.11 114.38 120.63 1x3h h ARG 72 Ca -0.06 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.29 1x3h h ARG 72 Cb 0.45 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1x3h h ARG 72 CO 0.10 -0.28 0.87 0.07 -1.07 0.00 0.00 179.97 179.65 1x3h h ARG 73 N -0.44 0.00 0.00 0.04 0.11 -0.94 -3.45 114.38 109.70 1x3h h ARG 73 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1x3h h ARG 73 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1x3h h ARG 73 CO -0.34 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.14 1x3h n GLY 74 N -1.66 3.98 0.17 0.08 0.00 0.38 -5.03 105.19 103.11 1x3h n GLY 74 Ca 0.20 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 -0.30 -0.14 1.61 0.87 -1.72 -3.44 113.55 110.44 1x3h h SER 75 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x3h h SER 75 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1x3h h SER 75 CO 0.00 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.01 1x3h n GLY 76 N 0.81 5.63 3.56 5.77 0.00 -1.26 -5.07 105.19 114.62 1x3h n GLY 76 Ca -0.04 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 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 1.35 2.58 -0.24 1.61 0.04 -1.26 -4.90 135.00 134.19 1x3h s PRO 77 Ca 0.00 0.03 -0.18 0.00 0.04 0.00 0.00 61.00 60.89 1x3h s PRO 77 Cb 0.00 -4.82 0.07 0.00 0.04 0.00 0.00 34.50 29.78 1x3h s PRO 77 CO 0.00 -3.14 0.61 0.45 0.04 0.00 0.00 177.00 174.95 1x3h s SER 78 N 8.05 -0.72 0.05 6.66 0.15 -1.26 -5.17 113.70 121.47 1x3h s SER 78 Ca 0.69 1.28 0.07 0.00 0.70 0.00 0.00 55.95 58.69 1x3h s SER 78 Cb -0.09 1.23 -0.03 0.00 -1.71 0.00 0.00 66.02 65.42 1x3h s SER 78 CO 0.07 -0.22 -0.21 -0.44 1.20 0.00 0.00 173.24 173.64 1x3h s SER 79 N 0.88 2.46 0.00 5.45 0.01 -1.26 -5.03 113.70 116.21 1x3h s SER 79 Ca -0.04 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1x3h s SER 79 Cb -0.05 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1x3h s SER 79 CO -0.07 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.32