#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 -6.18 -3.68 1.61 7.64 -1.26 -5.00 113.62 106.75 1x3h n SER 2 Ca 0.00 -0.53 -0.14 0.00 1.01 0.00 0.00 58.87 59.22 1x3h n SER 2 Cb 0.00 -4.91 -0.09 0.00 -1.01 0.00 0.00 64.21 58.21 1x3h n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x3h s SER 3 N -3.33 -0.54 0.00 6.43 0.01 -1.26 -5.11 113.70 109.89 1x3h s SER 3 Ca 0.56 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.80 1x3h s SER 3 Cb -0.25 0.99 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1x3h s SER 3 CO 0.71 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1x3h n GLY 4 N 2.52 1.13 2.85 3.44 0.00 -1.26 -5.16 105.19 108.70 1x3h n GLY 4 Ca -0.15 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1x3h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3h s SER 5 N 0.00 0.59 -0.05 1.61 0.15 -1.26 -5.15 113.70 109.59 1x3h s SER 5 Ca 0.00 0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 1x3h s SER 5 Cb 0.00 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1x3h s SER 5 CO 0.00 -0.23 0.28 -0.94 1.20 0.00 0.00 173.24 173.55 1x3h s SER 6 N 2.08 -0.20 0.00 5.45 1.04 -1.26 -5.12 113.70 115.69 1x3h s SER 6 Ca 0.01 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1x3h s SER 6 Cb -0.12 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1x3h s SER 6 CO -0.06 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1x3h n GLY 7 N 1.90 -0.46 3.77 7.32 0.00 -1.26 -5.03 105.19 111.43 1x3h n GLY 7 Ca -0.19 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1x3h n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x3h n LYS 8 N 0.00 -6.38 -3.89 1.61 3.00 -1.26 -4.97 118.16 106.27 1x3h n LYS 8 Ca 0.00 0.69 -0.30 0.00 -0.00 0.00 0.00 58.31 58.70 1x3h n LYS 8 Cb 0.00 -5.62 -0.16 0.00 0.00 0.00 0.00 35.03 29.26 1x3h n LYS 8 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1x3h s ASP 9 N -3.46 3.85 0.40 3.14 1.47 -1.26 -5.13 116.67 115.69 1x3h s ASP 9 Ca 0.55 -1.31 0.08 0.00 1.18 0.00 0.00 52.55 53.05 1x3h s ASP 9 Cb -0.26 -1.10 -0.01 0.00 -0.34 0.00 0.00 42.92 41.21 1x3h s ASP 9 CO 0.79 -0.29 0.43 0.72 0.68 0.00 0.00 175.17 177.50 1x3h s PHE 10 N 1.44 2.79 -0.69 2.11 -0.71 -1.26 -4.98 117.98 116.68 1x3h s PHE 10 Ca -0.01 -0.42 -0.35 0.00 -1.04 0.00 0.00 56.93 55.10 1x3h s PHE 10 Cb -0.18 -2.18 -0.18 0.00 -1.21 0.00 0.00 43.02 39.27 1x3h s PHE 10 CO -0.10 -0.17 2.41 1.28 -1.34 0.00 0.00 175.22 177.31 1x3h n LEU 11 N -1.63 0.90 -0.03 -1.99 4.77 -1.26 -4.71 117.00 113.06 1x3h n LEU 11 Ca 0.04 0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 1x3h n LEU 11 Cb 0.60 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1x3h n LEU 11 CO 0.41 -0.82 -0.69 0.00 -1.33 0.00 0.00 177.39 174.97 1x3h n ALA 12 N 9.90 1.95 0.44 -1.18 0.00 -1.26 -4.64 120.51 125.72 1x3h n ALA 12 Ca 0.56 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 1x3h n ALA 12 Cb 0.08 0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.95 1x3h n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x3h n MET 13 N -2.72 1.28 -0.32 0.00 0.00 -1.26 -4.52 117.12 109.58 1x3h n MET 13 Ca -0.10 -0.67 0.16 0.00 0.00 0.00 0.00 57.70 57.09 1x3h n MET 13 Cb 0.60 -1.26 0.33 0.00 0.00 0.00 0.00 33.22 32.89 1x3h n MET 13 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1x3h h PHE 14 N 0.28 0.18 -4.13 3.17 3.57 -1.96 -3.39 116.94 114.65 1x3h h PHE 14 Ca 0.14 0.06 -0.48 0.00 3.53 0.00 0.00 57.97 61.22 1x3h h PHE 14 Cb 1.39 0.08 0.05 0.00 2.79 0.00 0.00 35.95 40.25 1x3h h PHE 14 CO 0.36 -0.37 0.39 -1.12 -2.23 0.00 0.00 178.31 175.33 1x3h s SER 15 N -4.97 6.03 0.90 0.41 0.01 -1.26 -5.04 113.70 109.78 1x3h s SER 15 Ca -0.12 1.89 -0.12 0.00 1.31 0.00 0.00 55.95 58.92 1x3h s SER 15 Cb 0.29 -2.55 0.13 0.00 0.21 0.00 0.00 66.02 64.10 1x3h s SER 15 CO 0.78 -1.00 1.09 -2.16 0.41 0.00 0.00 173.24 172.36 1x3h s PRO 16 N -3.64 1.23 0.04 12.44 0.04 -1.26 -4.96 135.00 138.89 1x3h s PRO 16 Ca 0.66 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 1x3h s PRO 16 Cb -0.17 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1x3h s PRO 16 CO 0.28 -2.26 -0.04 0.15 0.04 0.00 0.00 177.00 175.18 1x3h s LYS 17 N -4.93 0.51 0.31 4.56 1.02 -1.26 -3.42 119.74 116.53 1x3h s LYS 17 Ca 0.63 -0.96 -0.28 0.00 0.02 0.00 0.00 55.97 55.39 1x3h s LYS 17 Cb -0.18 0.10 -0.13 0.00 -0.52 0.00 0.00 37.83 37.10 1x3h s LYS 17 CO 0.57 -0.07 1.16 0.00 -0.92 0.00 0.00 175.35 176.10 1x3h n GLY 19 N 1.01 2.35 0.50 0.00 0.00 -1.07 -1.67 105.19 106.30 1x3h n GLY 19 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.20 0.03 0.00 -0.02 0.00 -1.26 -4.92 105.19 100.22 1x3h n GLY 20 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.47 -5.45 -4.81 0.00 4.13 -0.67 -4.97 115.26 102.02 1x3h n ASN 22 Ca 0.01 -0.29 -0.30 0.00 1.68 0.00 0.00 54.58 55.68 1x3h n ASN 22 Cb 0.22 -4.24 -0.06 0.00 -1.54 0.00 0.00 39.78 34.17 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 -5.64 3.00 -0.60 3.52 0.52 -1.26 -4.79 118.95 113.70 1x3h s ARG 23 Ca 0.31 -0.66 -0.27 0.00 -0.52 0.00 0.00 55.73 54.59 1x3h s ARG 23 Cb -0.14 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1x3h s ARG 23 CO 0.38 0.56 1.86 -1.25 0.02 0.00 0.00 175.30 176.87 1x3h s PRO 24 N -2.51 2.66 -0.02 3.54 0.04 -1.26 -1.33 135.00 136.12 1x3h s PRO 24 Ca 0.31 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.73 1x3h s PRO 24 Cb -0.12 -4.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 1x3h s PRO 24 CO 0.23 -2.69 0.83 0.14 0.04 0.00 0.00 177.00 175.55 1x3h s VAL 25 N 8.99 4.91 0.09 -0.36 -7.23 -1.22 -4.91 120.40 120.67 1x3h s VAL 25 Ca 0.68 1.74 0.00 0.00 -1.81 0.00 0.00 61.98 62.59 1x3h s VAL 25 Cb -0.13 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.64 1x3h s VAL 25 CO 0.21 0.23 0.00 0.18 -0.31 0.00 0.00 175.10 175.42 1x3h n LEU 26 N 3.65 0.24 -4.74 1.32 4.77 -1.26 -4.87 117.00 116.11 1x3h n LEU 26 Ca 0.02 0.14 -0.35 0.00 -0.03 0.00 0.00 56.01 55.79 1x3h n LEU 26 Cb 0.51 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1x3h n LEU 26 CO 0.49 -0.48 -0.27 -1.83 -1.33 0.00 0.00 177.39 173.97 1x3h s GLU 27 N -2.00 3.10 -1.25 3.23 -1.05 -1.26 -4.54 118.70 114.93 1x3h s GLU 27 Ca 0.00 -0.34 -0.01 0.00 -0.15 0.00 0.00 54.97 54.47 1x3h s GLU 27 Cb 0.00 -2.90 -0.00 0.00 -0.44 0.00 0.00 34.13 30.79 1x3h s GLU 27 CO 0.00 0.72 0.83 0.09 0.95 0.00 0.00 175.26 177.84 1x3h n ASN 28 N 2.00 -1.80 -4.54 0.83 4.13 -1.26 -5.00 115.26 109.61 1x3h n ASN 28 Ca -0.18 -0.74 -0.29 0.00 1.68 0.00 0.00 54.58 55.04 1x3h n ASN 28 Cb 0.54 -4.51 -0.10 0.00 -1.54 0.00 0.00 39.78 34.17 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 -3.53 2.64 0.41 3.10 1.13 -1.26 -4.11 117.35 115.73 1x3h s TYR 29 Ca 0.03 -0.21 0.08 0.00 -1.41 0.00 0.00 57.07 55.56 1x3h s TYR 29 Cb -0.01 -1.37 -0.01 0.00 -1.10 0.00 0.00 41.96 39.48 1x3h s TYR 29 CO 0.78 0.43 0.42 -0.51 -2.51 0.00 0.00 175.55 174.17 1x3h s LEU 30 N -2.34 3.49 -0.32 -3.49 1.02 -0.94 -4.94 118.68 111.16 1x3h s LEU 30 Ca 0.21 -0.63 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 1x3h s LEU 30 Cb -0.10 -2.24 0.11 0.00 0.02 0.00 0.00 46.19 43.97 1x3h s LEU 30 CO 0.13 -0.65 0.14 -0.44 0.02 0.00 0.00 176.35 175.54 1x3h s SER 31 N -4.18 3.73 0.14 2.29 0.01 -1.26 -1.82 113.70 112.61 1x3h s SER 31 Ca 0.49 -1.71 0.05 0.00 1.31 0.00 0.00 55.95 56.09 1x3h s SER 31 Cb -0.05 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1x3h s SER 31 CO 0.29 -0.39 -0.11 0.00 0.41 0.00 0.00 173.24 173.44 1x3h s ALA 32 N 1.55 1.40 -1.63 1.44 0.00 0.15 -4.81 121.76 119.87 1x3h s ALA 32 Ca 0.11 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 1x3h s ALA 32 Cb -0.18 0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.08 1x3h s ALA 32 CO -0.23 -0.06 0.79 -1.33 0.00 0.00 0.00 175.76 174.94 1x3h n MET 33 N 0.03 -3.78 -2.13 0.00 2.81 -1.26 0.86 117.12 113.66 1x3h n MET 33 Ca -0.12 0.43 -0.19 0.00 -1.81 0.00 0.00 57.70 56.02 1x3h n MET 33 Cb 0.60 -5.13 -0.03 0.00 -0.71 0.00 0.00 33.22 27.94 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 -2.74 -5.28 -2.77 7.83 9.92 -1.26 -4.93 116.55 117.33 1x3h n ASP 34 Ca 0.02 0.18 -0.14 0.00 -0.53 0.00 0.00 54.79 54.32 1x3h n ASP 34 Cb 0.52 -4.50 -0.04 0.00 -0.64 0.00 0.00 41.12 36.46 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 -3.33 0.00 -4.14 -3.53 5.66 0.25 -5.17 114.28 104.02 1x3h n THR 35 Ca -0.21 -1.71 -0.26 0.00 -3.05 0.00 0.00 64.05 58.82 1x3h n THR 35 Cb 0.65 0.97 -0.06 0.00 -1.55 0.00 0.00 70.33 70.34 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 4.18 0.35 1.08 -7.23 -1.26 0.35 120.40 114.97 1x3h s VAL 36 Ca 0.28 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1x3h s VAL 36 Cb 0.00 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 1x3h s VAL 36 CO 0.20 -0.16 0.38 0.26 -0.31 0.00 0.00 175.10 175.47 1x3h s TRP 37 N -1.83 1.47 -0.05 2.82 0.52 -0.75 -2.61 118.94 118.50 1x3h s TRP 37 Ca 0.30 -1.52 -0.00 0.00 0.02 0.00 0.00 56.10 54.90 1x3h s TRP 37 Cb -0.09 -0.42 -0.03 0.00 -1.15 0.00 0.00 33.47 31.78 1x3h s TRP 37 CO 0.22 -1.02 -0.01 -1.01 0.02 0.00 0.00 176.95 175.15 1x3h s HIS 38 N -3.17 3.09 -2.00 -1.98 3.76 -1.26 -2.22 115.29 111.51 1x3h s HIS 38 Ca 0.36 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.43 1x3h s HIS 38 Cb 0.01 -1.73 0.22 0.00 1.11 0.00 0.00 32.58 32.19 1x3h s HIS 38 CO 0.25 0.45 0.69 -0.35 -0.85 0.00 0.00 174.74 174.93 1x3h n PRO 39 N 1.85 0.49 0.00 8.40 -0.04 -1.26 -1.06 135.00 143.38 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 2.85 -0.08 0.54 0.28 -1.26 -4.84 120.64 117.51 1x3h n GLU 40 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.80 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 -4.13 0.38 -4.03 0.00 7.35 -0.23 -4.79 117.46 112.02 1x3h n PHE 42 Ca -0.35 0.03 -0.10 0.00 -0.76 0.00 0.00 57.45 56.28 1x3h n PHE 42 Cb 0.81 -1.25 -0.06 0.00 0.35 0.00 0.00 39.48 39.32 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 4.85 0.00 1.05 -2.13 -7.23 -1.26 -4.16 120.40 111.52 1x3h s VAL 43 Ca 1.22 -1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 59.74 1x3h s VAL 43 Cb -0.69 -2.24 0.13 0.00 0.56 0.00 0.00 36.38 34.15 1x3h s VAL 43 CO 0.43 -0.01 0.54 0.00 -0.31 0.00 0.00 175.10 175.76 1x3h n GLY 45 N 1.35 -1.15 0.06 0.00 0.00 -1.03 -3.34 105.19 101.06 1x3h n GLY 45 Ca 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.44 0.93 0.20 1.61 8.00 -1.26 -4.64 116.55 118.95 1x3h n ASP 46 Ca -0.04 0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.73 1x3h n ASP 46 Cb 0.60 -0.61 0.19 0.00 -0.02 0.00 0.00 41.12 41.28 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 -3.00 -2.10 -3.99 0.00 3.72 -1.21 -4.94 117.46 105.94 1x3h n PHE 48 Ca 0.04 0.89 -0.26 0.00 -0.05 0.00 0.00 57.45 58.06 1x3h n PHE 48 Cb 0.52 -4.72 -0.04 0.00 -0.94 0.00 0.00 39.48 34.30 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 -3.48 5.05 0.49 4.37 -1.32 -1.26 -4.62 115.64 114.87 1x3h s THR 49 Ca 0.04 -0.82 -0.21 0.00 -1.21 0.00 0.00 61.69 59.50 1x3h s THR 49 Cb -0.01 -3.60 -0.08 0.00 -1.51 0.00 0.00 72.50 67.31 1x3h s THR 49 CO 0.76 -0.10 1.07 -0.55 -2.21 0.00 0.00 174.62 173.60 1x3h s SER 50 N -3.20 6.24 -0.68 8.08 0.15 -1.26 -1.60 113.70 121.43 1x3h s SER 50 Ca 0.33 2.03 -0.02 0.00 0.70 0.00 0.00 55.95 59.00 1x3h s SER 50 Cb -0.11 -2.57 0.43 0.00 -1.71 0.00 0.00 66.02 62.07 1x3h s SER 50 CO 0.27 -0.85 1.99 0.49 1.20 0.00 0.00 173.24 176.33 1x3h n PHE 51 N -0.88 3.18 -0.21 3.44 3.72 -1.26 -4.74 117.46 120.71 1x3h n PHE 51 Ca 0.09 -2.89 -0.02 0.00 -0.05 0.00 0.00 57.45 54.59 1x3h n PHE 51 Cb 0.51 -1.35 0.05 0.00 -0.94 0.00 0.00 39.48 37.75 1x3h n PHE 51 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1x3h h SER 52 N 2.17 -0.75 -0.84 4.37 0.02 -1.94 -0.11 113.55 116.48 1x3h h SER 52 Ca 0.59 0.20 0.25 0.00 -0.84 0.00 0.00 61.79 61.99 1x3h h SER 52 Cb 0.72 0.45 -0.16 0.00 0.14 0.00 0.00 62.40 63.55 1x3h h SER 52 CO 1.53 -0.24 0.07 0.35 -1.14 0.00 0.00 176.83 177.40 1x3h n THR 53 N -5.44 -0.35 0.00 -2.27 -2.24 -1.26 -4.81 114.28 97.91 1x3h n THR 53 Ca 0.07 1.83 0.00 0.00 -2.27 0.00 0.00 64.05 63.68 1x3h n THR 53 Cb 0.34 -2.71 0.00 0.00 -2.10 0.00 0.00 70.33 65.86 1x3h n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x3h n GLY 54 N -1.40 3.20 3.57 3.38 0.00 -0.05 -5.04 105.19 108.84 1x3h n GLY 54 Ca 0.21 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 6.04 0.11 1.61 1.04 -1.26 -4.99 113.70 116.25 1x3h s SER 55 Ca 0.00 0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.55 1x3h s SER 55 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1x3h s SER 55 CO 0.00 -1.82 0.02 0.72 0.98 0.00 0.00 173.24 173.14 1x3h s PHE 56 N 6.30 3.00 -0.13 5.02 -0.71 -1.26 -4.86 117.98 125.33 1x3h s PHE 56 Ca 0.49 -0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 56.32 1x3h s PHE 56 Cb -0.10 -1.52 -0.02 0.00 -1.21 0.00 0.00 43.02 40.17 1x3h s PHE 56 CO 0.22 0.49 -0.07 -0.06 -1.34 0.00 0.00 175.22 174.46 1x3h s PHE 57 N -1.42 2.95 -0.18 3.49 0.40 -1.19 -5.04 117.98 116.99 1x3h s PHE 57 Ca 0.27 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 56.18 1x3h s PHE 57 Cb -0.11 -1.88 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 1x3h s PHE 57 CO 0.19 -0.01 0.10 -2.00 0.70 0.00 0.00 175.22 174.20 1x3h s GLU 58 N 0.15 4.03 -0.36 0.44 2.12 -1.26 -2.14 118.70 121.67 1x3h s GLU 58 Ca -0.03 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1x3h s GLU 58 Cb -0.14 -3.32 0.12 0.00 0.26 0.00 0.00 34.13 31.05 1x3h s GLU 58 CO 0.03 0.34 0.16 -1.17 -0.54 0.00 0.00 175.26 174.09 1x3h s LEU 59 N 0.21 2.37 -0.93 2.70 2.96 -0.83 -4.82 118.68 120.34 1x3h s LEU 59 Ca 0.07 -2.06 -0.06 0.00 -0.22 0.00 0.00 54.13 51.86 1x3h s LEU 59 Cb -0.12 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.67 1x3h s LEU 59 CO -0.01 -0.35 0.81 -0.67 -1.32 0.00 0.00 176.35 174.82 1x3h n ASP 60 N 4.29 -5.02 -2.06 3.68 -0.08 -1.26 -3.08 116.55 113.02 1x3h n ASP 60 Ca 0.03 -0.37 -0.12 0.00 -1.51 0.00 0.00 54.79 52.82 1x3h n ASP 60 Cb 0.39 -3.61 0.04 0.00 2.34 0.00 0.00 41.12 40.27 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x3h n GLY 61 N -1.54 0.20 2.98 0.27 0.00 -1.26 -5.04 105.19 100.80 1x3h n GLY 61 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.59 0.14 -0.04 1.61 0.52 -1.18 -5.13 118.95 109.29 1x3h s ARG 62 Ca 0.27 0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 55.68 1x3h s ARG 62 Cb -0.12 -0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.15 1x3h s ARG 62 CO 0.36 -0.19 1.48 -1.25 0.02 0.00 0.00 175.30 175.72 1x3h s PRO 63 N 1.42 4.24 0.10 3.54 0.04 -1.26 -1.96 135.00 141.12 1x3h s PRO 63 Ca -0.07 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 1x3h s PRO 63 Cb -0.11 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 1x3h s PRO 63 CO -0.07 -0.69 0.01 -0.06 0.04 0.00 0.00 177.00 176.22 1x3h s PHE 64 N 3.08 0.74 -0.16 0.56 0.08 -0.91 -2.48 117.98 118.90 1x3h s PHE 64 Ca 0.66 -1.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.46 1x3h s PHE 64 Cb -0.31 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.63 1x3h s PHE 64 CO 0.26 -0.41 0.26 0.00 -0.10 0.00 0.00 175.22 175.23 1x3h n GLU 66 N 3.37 -0.16 -0.36 0.00 2.13 -1.26 0.99 120.64 125.35 1x3h n GLU 66 Ca -0.13 0.78 -0.05 0.00 0.66 0.00 0.00 57.16 58.42 1x3h n GLU 66 Cb 0.52 -1.15 -0.02 0.00 0.27 0.00 0.00 31.44 31.07 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 -4.70 -0.74 -0.06 4.31 7.94 -1.26 -1.13 117.00 121.36 1x3h n LEU 67 Ca 0.03 1.59 -0.11 0.00 -1.11 0.00 0.00 56.01 56.41 1x3h n LEU 67 Cb 0.17 -0.30 -0.10 0.00 0.53 0.00 0.00 43.42 43.72 1x3h n LEU 67 CO -0.07 -1.37 0.32 0.45 -1.11 0.00 0.00 177.39 175.61 1x3h h HIS 68 N 0.00 -0.01 -0.65 1.96 3.86 0.24 -3.23 115.15 117.32 1x3h h HIS 68 Ca 0.24 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.70 1x3h h HIS 68 Cb 0.47 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.82 1x3h h HIS 68 CO -0.85 0.78 0.25 0.98 0.86 0.00 0.00 177.93 179.95 1x3h n TYR 69 N -4.66 0.65 -0.03 2.45 9.36 0.14 0.20 117.16 125.28 1x3h n TYR 69 Ca -0.08 0.78 -0.14 0.00 3.32 0.00 0.00 57.90 61.77 1x3h n TYR 69 Cb 0.38 -1.14 -0.10 0.00 -0.63 0.00 0.00 39.34 37.85 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 -0.75 2.98 3.86 -1.24 -2.79 115.15 117.47 1x3h h HIS 70 Ca 0.50 -0.12 0.17 0.00 -1.16 0.00 0.00 60.37 59.76 1x3h h HIS 70 Cb 1.26 -0.04 -0.13 0.00 1.06 0.00 0.00 27.41 29.56 1x3h h HIS 70 CO -0.11 0.85 -0.05 1.25 0.86 0.00 0.00 177.93 180.73 1x3h h HIS 71 N -0.40 -0.14 -0.25 2.45 -0.00 0.23 0.09 115.15 117.13 1x3h h HIS 71 Ca -0.02 0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 1x3h h HIS 71 Cb 0.88 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 1x3h h HIS 71 CO 0.15 -0.26 0.01 0.00 -0.00 0.00 0.00 177.93 177.82 1x3h h ARG 72 N 0.07 0.43 -0.67 5.26 3.08 -1.38 -3.14 114.38 118.03 1x3h h ARG 72 Ca 0.40 -0.13 0.13 0.00 0.07 0.00 0.00 59.98 60.45 1x3h h ARG 72 Cb 0.68 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.56 1x3h h ARG 72 CO -0.69 0.59 -0.19 0.00 -1.07 0.00 0.00 179.97 178.62 1x3h h ARG 73 N 0.21 -0.02 0.00 0.04 3.08 -0.72 -3.47 114.38 113.50 1x3h h ARG 73 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1x3h h ARG 73 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1x3h h ARG 73 CO 0.01 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1x3h n GLY 74 N -1.46 4.77 3.01 0.04 0.00 -0.71 -4.25 105.19 106.60 1x3h n GLY 74 Ca 0.08 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1x3h n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3h s SER 75 N 0.00 4.85 0.00 1.61 0.15 -1.26 -4.88 113.70 114.17 1x3h s SER 75 Ca 0.00 -3.10 0.00 0.00 0.70 0.00 0.00 55.95 53.55 1x3h s SER 75 Cb 0.00 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1x3h s SER 75 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x3h n GLY 76 N 3.08 0.80 0.09 9.45 0.00 -1.26 -4.89 105.19 112.45 1x3h n GLY 76 Ca 0.09 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 1x3h n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h h PRO 77 N 0.00 0.14 -6.10 1.61 0.13 -2.04 -3.45 132.00 122.29 1x3h h PRO 77 Ca 0.00 -0.07 -0.65 0.00 -0.87 0.00 0.00 66.00 64.41 1x3h h PRO 77 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 1x3h h PRO 77 CO 0.00 0.59 -0.46 0.43 -0.23 0.00 0.00 178.00 178.33 1x3h n SER 78 N -4.74 -0.98 -4.76 1.44 7.64 -1.26 -4.97 113.62 105.99 1x3h n SER 78 Ca -0.08 1.09 -0.23 0.00 1.01 0.00 0.00 58.87 60.67 1x3h n SER 78 Cb 0.29 -1.01 -0.05 0.00 -1.01 0.00 0.00 64.21 62.43 1x3h n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x3h s SER 79 N -0.92 5.20 0.00 6.43 0.01 -1.26 -4.77 113.70 118.38 1x3h s SER 79 Ca 0.63 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1x3h s SER 79 Cb -0.84 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1x3h s SER 79 CO 0.58 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.82