#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 -0.61 0.29 1.61 0.15 -1.26 -5.18 113.70 108.70 1x3h s SER 2 Ca 0.00 0.84 -0.11 0.00 0.70 0.00 0.00 55.95 57.38 1x3h s SER 2 Cb 0.00 1.70 0.01 0.00 -1.71 0.00 0.00 66.02 66.01 1x3h s SER 2 CO 0.00 -0.12 0.54 -0.44 1.20 0.00 0.00 173.24 174.42 1x3h s SER 3 N 2.49 0.18 0.00 5.45 0.01 -1.26 -5.15 113.70 115.42 1x3h s SER 3 Ca -0.03 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1x3h s SER 3 Cb -0.06 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1x3h s SER 3 CO -0.18 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.81 1x3h n GLY 4 N -0.46 2.86 3.18 3.44 0.00 -1.26 -5.19 105.19 107.77 1x3h n GLY 4 Ca -0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.17 0.05 1.61 0.01 -1.26 -5.18 113.70 109.11 1x3h s SER 5 Ca 0.00 -0.68 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 1x3h s SER 5 Cb 0.00 0.31 0.10 0.00 0.21 0.00 0.00 66.02 66.63 1x3h s SER 5 CO 0.00 -0.68 1.14 -0.94 0.41 0.00 0.00 173.24 173.17 1x3h s SER 6 N -2.77 -0.11 0.00 2.44 1.04 -1.26 -5.15 113.70 107.90 1x3h s SER 6 Ca 0.04 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1x3h s SER 6 Cb 0.05 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x3h s SER 6 CO -0.10 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1x3h n GLY 7 N -0.47 -1.92 3.36 7.32 0.00 -1.26 -5.13 105.19 107.09 1x3h n GLY 7 Ca -0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 1x3h n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3h s LYS 8 N -2.40 0.68 -0.29 1.61 -2.85 -1.26 -5.16 119.74 110.06 1x3h s LYS 8 Ca 0.00 0.36 -0.16 0.00 -1.00 0.00 0.00 55.97 55.16 1x3h s LYS 8 Cb 0.00 0.32 0.17 0.00 -2.06 0.00 0.00 37.83 36.26 1x3h s LYS 8 CO 0.00 -0.14 1.10 0.16 0.10 0.00 0.00 175.35 176.56 1x3h s ASP 9 N -0.44 -0.32 -0.22 0.03 -4.77 -1.26 -5.08 116.67 104.61 1x3h s ASP 9 Ca -0.06 0.52 -0.12 0.00 -3.30 0.00 0.00 52.55 49.59 1x3h s ASP 9 Cb -0.03 1.11 -0.09 0.00 -1.09 0.00 0.00 42.92 42.82 1x3h s ASP 9 CO 0.03 -0.08 -0.29 0.33 0.70 0.00 0.00 175.17 175.86 1x3h n PHE 10 N 3.40 0.00 -3.76 2.11 -0.00 -1.26 -5.03 117.46 112.92 1x3h n PHE 10 Ca -0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.14 1x3h n PHE 10 Cb 0.57 -0.78 -0.13 0.00 -0.00 0.00 0.00 39.48 39.14 1x3h n PHE 10 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.76 176.28 1x3h s LEU 11 N -7.26 0.76 -0.30 -2.13 2.34 -1.26 -5.13 118.68 105.70 1x3h s LEU 11 Ca -0.31 0.43 -0.00 0.00 0.06 0.00 0.00 54.13 54.31 1x3h s LEU 11 Cb 0.11 0.64 0.19 0.00 -0.56 0.00 0.00 46.19 46.57 1x3h s LEU 11 CO 0.39 -0.13 0.62 0.00 -1.06 0.00 0.00 176.35 176.17 1x3h s ALA 12 N 0.85 -2.33 -0.07 1.48 0.00 -1.26 -5.15 121.76 115.28 1x3h s ALA 12 Ca -0.06 1.72 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 1x3h s ALA 12 Cb -0.08 -2.24 0.04 0.00 0.00 0.00 0.00 23.12 20.85 1x3h s ALA 12 CO -0.05 -1.41 0.16 -1.64 0.00 0.00 0.00 175.76 172.82 1x3h s MET 13 N 2.86 0.10 -1.09 0.00 -1.94 -1.26 -5.09 119.30 112.89 1x3h s MET 13 Ca 0.19 0.42 -0.07 0.00 -1.71 0.00 0.00 55.69 54.51 1x3h s MET 13 Cb -0.14 -0.18 0.28 0.00 2.01 0.00 0.00 34.83 36.80 1x3h s MET 13 CO -0.21 -0.18 1.15 1.19 -0.01 0.00 0.00 175.02 176.95 1x3h n PHE 14 N 4.34 4.71 -3.50 -0.03 3.72 -1.26 -4.97 117.46 120.47 1x3h n PHE 14 Ca -0.24 -3.73 -0.16 0.00 -0.05 0.00 0.00 57.45 53.28 1x3h n PHE 14 Cb 0.52 -1.58 -0.05 0.00 -0.94 0.00 0.00 39.48 37.43 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1x3h s SER 15 N 0.65 -0.61 1.11 4.37 0.01 -1.26 -5.18 113.70 112.80 1x3h s SER 15 Ca 0.31 0.50 -0.16 0.00 1.31 0.00 0.00 55.95 57.90 1x3h s SER 15 Cb -0.07 0.53 0.24 0.00 0.21 0.00 0.00 66.02 66.93 1x3h s SER 15 CO -0.05 -0.68 1.10 -2.16 0.41 0.00 0.00 173.24 171.86 1x3h s PRO 16 N -1.87 -0.50 -0.02 12.44 0.04 -1.26 -4.98 135.00 138.86 1x3h s PRO 16 Ca -0.07 0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.04 1x3h s PRO 16 Cb -0.00 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.90 1x3h s PRO 16 CO 0.03 -3.28 0.27 0.15 0.04 0.00 0.00 177.00 174.21 1x3h s LYS 17 N -5.19 0.62 0.23 4.56 1.02 -1.26 -3.67 119.74 116.05 1x3h s LYS 17 Ca 0.68 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 1x3h s LYS 17 Cb -0.14 0.27 -0.15 0.00 -0.52 0.00 0.00 37.83 37.29 1x3h s LYS 17 CO 0.57 -0.16 1.07 0.00 -0.92 0.00 0.00 175.35 175.90 1x3h n GLY 19 N 1.65 2.36 0.95 0.00 0.00 -1.00 -1.85 105.19 107.30 1x3h n GLY 19 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.11 -0.04 0.01 -0.02 0.00 -1.26 -4.92 105.19 100.06 1x3h n GLY 20 Ca 0.01 -0.01 0.06 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 -2.06 -2.93 -4.68 0.00 2.85 -0.77 -5.01 115.26 102.66 1x3h n ASN 22 Ca -0.04 -0.10 -0.29 0.00 -0.11 0.00 0.00 54.58 54.04 1x3h n ASN 22 Cb 0.44 -1.77 -0.08 0.00 1.24 0.00 0.00 39.78 39.60 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x3h s ARG 23 N -4.97 2.52 -0.43 1.20 0.52 -1.26 -4.82 118.95 111.71 1x3h s ARG 23 Ca 0.10 -0.90 -0.28 0.00 -0.52 0.00 0.00 55.73 54.13 1x3h s ARG 23 Cb -0.05 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1x3h s ARG 23 CO 0.13 0.52 1.75 -1.25 0.02 0.00 0.00 175.30 176.47 1x3h s PRO 24 N -2.48 3.16 -0.07 3.54 0.04 -1.26 -1.00 135.00 136.93 1x3h s PRO 24 Ca 0.26 1.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1x3h s PRO 24 Cb -0.11 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1x3h s PRO 24 CO 0.18 -2.08 0.61 0.14 0.04 0.00 0.00 177.00 175.90 1x3h s VAL 25 N 7.31 5.05 0.00 -0.36 -7.23 -1.24 -4.91 120.40 119.02 1x3h s VAL 25 Ca 0.73 1.25 0.00 0.00 -1.81 0.00 0.00 61.98 62.15 1x3h s VAL 25 Cb -0.18 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 32.81 1x3h s VAL 25 CO 0.29 0.31 0.00 0.18 -0.31 0.00 0.00 175.10 175.58 1x3h n LEU 26 N 3.49 0.37 -4.71 1.32 4.77 -1.26 -4.88 117.00 116.10 1x3h n LEU 26 Ca -0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.60 1x3h n LEU 26 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1x3h n LEU 26 CO 0.45 -0.15 -0.30 -1.83 -1.33 0.00 0.00 177.39 174.24 1x3h s GLU 27 N -1.81 2.94 -1.38 3.23 4.04 -1.26 -4.58 118.70 119.88 1x3h s GLU 27 Ca 0.00 -0.49 -0.03 0.00 0.04 0.00 0.00 54.97 54.49 1x3h s GLU 27 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 34.13 31.38 1x3h s GLU 27 CO 0.00 0.66 0.44 0.09 -1.84 0.00 0.00 175.26 174.61 1x3h n ASN 28 N 1.65 -0.85 -4.63 0.83 3.02 -1.26 -4.96 115.26 109.06 1x3h n ASN 28 Ca -0.16 -1.03 -0.28 0.00 -0.03 0.00 0.00 54.58 53.08 1x3h n ASN 28 Cb 0.53 -2.96 -0.09 0.00 -0.61 0.00 0.00 39.78 36.65 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 -3.92 2.80 0.40 3.10 1.13 -1.26 -4.10 117.35 115.50 1x3h s TYR 29 Ca 0.06 -0.14 0.08 0.00 -1.41 0.00 0.00 57.07 55.66 1x3h s TYR 29 Cb -0.03 -1.40 -0.02 0.00 -1.10 0.00 0.00 41.96 39.41 1x3h s TYR 29 CO 0.89 0.48 0.39 -0.51 -2.51 0.00 0.00 175.55 174.30 1x3h s LEU 30 N -2.62 3.50 -0.32 -3.49 1.02 -0.91 -4.94 118.68 110.92 1x3h s LEU 30 Ca 0.25 -0.62 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 1x3h s LEU 30 Cb -0.10 -2.21 0.11 0.00 0.02 0.00 0.00 46.19 44.01 1x3h s LEU 30 CO 0.17 -0.59 0.13 -0.44 0.02 0.00 0.00 176.35 175.63 1x3h s SER 31 N -4.14 3.75 0.14 2.29 0.01 -1.26 -1.72 113.70 112.79 1x3h s SER 31 Ca 0.47 -1.68 0.05 0.00 1.31 0.00 0.00 55.95 56.10 1x3h s SER 31 Cb -0.05 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1x3h s SER 31 CO 0.28 -0.40 -0.11 0.00 0.41 0.00 0.00 173.24 173.42 1x3h s ALA 32 N 1.59 1.48 -1.48 1.44 0.00 0.21 -4.83 121.76 120.16 1x3h s ALA 32 Ca 0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1x3h s ALA 32 Cb -0.18 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1x3h s ALA 32 CO -0.24 -0.04 0.31 -1.33 0.00 0.00 0.00 175.76 174.46 1x3h n MET 33 N -0.01 -2.49 -2.28 0.00 2.81 -1.26 0.11 117.12 114.00 1x3h n MET 33 Ca -0.12 0.30 -0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1x3h n MET 33 Cb 0.60 -4.27 -0.01 0.00 -0.71 0.00 0.00 33.22 28.83 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 -2.93 -3.73 -3.02 7.83 2.03 -1.26 -4.89 116.55 110.59 1x3h n ASP 34 Ca -0.29 0.22 -0.16 0.00 0.52 0.00 0.00 54.79 55.08 1x3h n ASP 34 Cb 0.68 -3.22 -0.04 0.00 -0.72 0.00 0.00 41.12 37.81 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 -3.13 0.00 -4.17 5.18 5.66 0.30 -5.18 114.28 112.95 1x3h n THR 35 Ca -0.14 -1.91 -0.24 0.00 -3.05 0.00 0.00 64.05 58.72 1x3h n THR 35 Cb 0.58 1.11 -0.06 0.00 -1.55 0.00 0.00 70.33 70.40 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 -2.94 4.10 0.34 1.08 -7.23 -1.26 0.63 120.40 115.13 1x3h s VAL 36 Ca 0.31 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1x3h s VAL 36 Cb -0.00 -3.16 -0.00 0.00 0.56 0.00 0.00 36.38 33.77 1x3h s VAL 36 CO 0.22 -0.28 0.42 0.79 -0.31 0.00 0.00 175.10 175.94 1x3h n TRP 37 N -0.80 -1.22 -4.41 2.82 7.02 -0.70 -2.38 117.44 117.77 1x3h n TRP 37 Ca -0.08 -2.51 -0.33 0.00 -1.02 0.00 0.00 57.50 53.56 1x3h n TRP 37 Cb 0.57 0.46 -0.10 0.00 -2.42 0.00 0.00 31.31 29.82 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 -3.06 3.02 -2.00 -5.99 3.76 -1.26 -2.14 115.29 107.62 1x3h s HIS 38 Ca 0.33 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.31 1x3h s HIS 38 Cb 0.00 -1.69 0.06 0.00 1.11 0.00 0.00 32.58 32.07 1x3h s HIS 38 CO 0.23 0.42 0.55 -0.35 -0.85 0.00 0.00 174.74 174.74 1x3h n PRO 39 N 1.74 0.49 0.00 8.40 -0.04 -1.26 -1.28 135.00 143.06 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 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.53 2.19 -0.04 0.54 0.28 -1.26 -4.84 120.64 116.98 1x3h n GLU 40 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.80 1x3h n GLU 40 Cb 0.00 -0.81 -0.13 0.00 1.43 0.00 0.00 31.44 31.93 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 -4.08 0.73 -4.00 0.00 7.35 -0.40 -4.81 117.46 112.24 1x3h n PHE 42 Ca -0.27 0.13 -0.09 0.00 -0.76 0.00 0.00 57.45 56.46 1x3h n PHE 42 Cb 0.82 -1.98 -0.05 0.00 0.35 0.00 0.00 39.48 38.62 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 8.51 0.00 1.06 -2.13 -7.23 -1.26 -4.40 120.40 114.95 1x3h s VAL 43 Ca 1.17 -1.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1x3h s VAL 43 Cb -0.67 -2.23 0.13 0.00 0.56 0.00 0.00 36.38 34.18 1x3h s VAL 43 CO 0.37 0.00 0.49 0.00 -0.31 0.00 0.00 175.10 175.65 1x3h n GLY 45 N 1.43 -1.02 0.03 0.00 0.00 -1.04 -3.41 105.19 101.18 1x3h n GLY 45 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.77 0.69 0.20 1.61 9.92 -1.26 -4.52 116.55 120.42 1x3h n ASP 46 Ca -0.25 0.35 0.09 0.00 -0.53 0.00 0.00 54.79 54.45 1x3h n ASP 46 Cb 1.06 -0.63 0.26 0.00 -0.64 0.00 0.00 41.12 41.17 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 -3.21 -2.40 -3.73 0.00 3.72 -1.22 -4.96 117.46 105.67 1x3h n PHE 48 Ca 0.02 0.94 -0.29 0.00 -0.05 0.00 0.00 57.45 58.07 1x3h n PHE 48 Cb 0.54 -4.72 -0.04 0.00 -0.94 0.00 0.00 39.48 34.32 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 -3.39 5.22 0.66 4.37 -1.32 -1.26 -4.65 115.64 115.27 1x3h s THR 49 Ca 0.33 -0.28 -0.12 0.00 -1.21 0.00 0.00 61.69 60.42 1x3h s THR 49 Cb -0.16 -3.69 -0.01 0.00 -1.51 0.00 0.00 72.50 67.14 1x3h s THR 49 CO 0.77 -0.07 1.05 -0.55 -2.21 0.00 0.00 174.62 173.61 1x3h s SER 50 N -2.89 5.59 -0.75 8.08 0.15 -1.26 -2.14 113.70 120.48 1x3h s SER 50 Ca 0.38 1.62 -0.01 0.00 0.70 0.00 0.00 55.95 58.64 1x3h s SER 50 Cb -0.12 -2.50 0.19 0.00 -1.71 0.00 0.00 66.02 61.88 1x3h s SER 50 CO 0.28 -1.30 0.58 -0.36 1.20 0.00 0.00 173.24 173.64 1x3h s PHE 51 N -2.96 3.62 0.03 3.44 0.08 -1.26 -4.95 117.98 115.98 1x3h s PHE 51 Ca 0.58 -2.94 -0.23 0.00 0.12 0.00 0.00 56.93 54.46 1x3h s PHE 51 Cb -0.14 -3.15 -0.13 0.00 -0.57 0.00 0.00 43.02 39.04 1x3h s PHE 51 CO 0.51 -0.76 1.25 0.77 -0.10 0.00 0.00 175.22 176.90 1x3h h SER 52 N 6.38 -0.70 -0.20 1.36 0.02 -1.98 -2.79 113.55 115.64 1x3h h SER 52 Ca 0.08 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1x3h h SER 52 Cb 0.87 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1x3h h SER 52 CO 0.77 -0.47 0.26 0.00 -1.14 0.00 0.00 176.83 176.25 1x3h h THR 53 N -0.90 0.36 -2.67 -2.27 1.03 -2.06 -3.45 112.91 102.95 1x3h h THR 53 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.20 1x3h h THR 53 Cb 0.64 0.79 0.05 0.00 -1.07 0.00 0.00 68.15 68.55 1x3h h THR 53 CO 0.14 0.00 -0.22 0.61 -0.01 0.00 0.00 175.52 176.04 1x3h n GLY 54 N -1.38 0.41 0.68 2.99 0.00 -1.05 -4.97 105.19 101.87 1x3h n GLY 54 Ca 0.02 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1x3h n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3h n SER 55 N -0.42 1.64 -4.44 1.61 7.64 -1.26 -5.08 113.62 113.31 1x3h n SER 55 Ca -0.02 -3.58 -0.37 0.00 1.01 0.00 0.00 58.87 55.90 1x3h n SER 55 Cb 0.53 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.91 -0.94 -4.11 1.43 -1.74 -1.26 -4.85 117.46 105.08 1x3h n PHE 56 Ca 0.17 0.40 -0.35 0.00 -0.56 0.00 0.00 57.45 57.11 1x3h n PHE 56 Cb 0.75 -1.92 -0.09 0.00 1.52 0.00 0.00 39.48 39.74 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 -1.80 3.25 -0.29 2.97 0.40 -0.55 -4.95 117.98 117.01 1x3h s PHE 57 Ca 0.66 0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 56.96 1x3h s PHE 57 Cb -0.41 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 1x3h s PHE 57 CO 0.57 0.27 0.36 -2.00 0.70 0.00 0.00 175.22 175.12 1x3h s GLU 58 N -0.06 3.90 -0.21 0.44 2.12 -1.26 -1.53 118.70 122.10 1x3h s GLU 58 Ca 0.06 -0.10 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 1x3h s GLU 58 Cb -0.12 -3.69 0.06 0.00 0.26 0.00 0.00 34.13 30.63 1x3h s GLU 58 CO 0.01 -0.33 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.20 1x3h s LEU 59 N 2.04 2.01 -1.12 2.70 2.96 -0.68 -4.77 118.68 121.83 1x3h s LEU 59 Ca 0.14 -0.98 -0.06 0.00 -0.22 0.00 0.00 54.13 53.01 1x3h s LEU 59 Cb -0.16 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.56 1x3h s LEU 59 CO 0.11 -0.24 0.76 -0.67 -1.32 0.00 0.00 176.35 174.98 1x3h n ASP 60 N 4.81 -5.33 -2.60 3.68 2.03 -1.26 -2.64 116.55 115.24 1x3h n ASP 60 Ca -0.11 -0.35 -0.17 0.00 0.52 0.00 0.00 54.79 54.68 1x3h n ASP 60 Cb 0.46 -4.02 0.05 0.00 -0.72 0.00 0.00 41.12 36.88 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 -1.57 -0.16 3.04 0.27 0.00 -1.26 -5.02 105.19 100.49 1x3h n GLY 61 Ca -0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.77 0.19 0.22 1.61 1.81 -1.08 -5.14 118.95 110.79 1x3h s ARG 62 Ca 0.36 0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 54.47 1x3h s ARG 62 Cb -0.16 -0.04 -0.09 0.00 -0.45 0.00 0.00 34.95 34.21 1x3h s ARG 62 CO 0.45 -0.11 1.29 -1.25 -0.68 0.00 0.00 175.30 175.00 1x3h s PRO 63 N 0.80 4.41 0.31 3.54 0.04 -1.26 -1.68 135.00 141.14 1x3h s PRO 63 Ca -0.06 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1x3h s PRO 63 Cb -0.07 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1x3h s PRO 63 CO -0.05 -0.20 0.55 -0.06 0.04 0.00 0.00 177.00 177.28 1x3h s PHE 64 N -0.15 0.50 -0.12 0.56 0.08 -0.59 -2.49 117.98 115.77 1x3h s PHE 64 Ca 0.55 -0.89 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 1x3h s PHE 64 Cb -0.36 0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 1x3h s PHE 64 CO 0.40 -1.17 -0.01 0.00 -0.10 0.00 0.00 175.22 174.34 1x3h n GLU 66 N 2.80 -0.13 -0.22 0.00 2.13 -1.26 0.50 120.64 124.46 1x3h n GLU 66 Ca -0.18 0.55 -0.06 0.00 0.66 0.00 0.00 57.16 58.14 1x3h n GLU 66 Cb 0.53 -0.82 -0.05 0.00 0.27 0.00 0.00 31.44 31.37 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 -4.49 -0.55 -0.08 4.31 7.94 -1.26 -1.48 117.00 121.40 1x3h n LEU 67 Ca 0.02 1.39 -0.12 0.00 -1.11 0.00 0.00 56.01 56.19 1x3h n LEU 67 Cb 0.12 -0.35 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 1x3h n LEU 67 CO -0.05 -0.98 0.71 0.45 -1.11 0.00 0.00 177.39 176.40 1x3h h HIS 68 N 0.00 0.47 -0.63 1.96 3.86 -0.36 -3.19 115.15 117.26 1x3h h HIS 68 Ca 0.08 -0.10 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1x3h h HIS 68 Cb 0.21 -0.12 -0.12 0.00 1.06 0.00 0.00 27.41 28.45 1x3h h HIS 68 CO -0.97 0.65 -0.17 0.98 0.86 0.00 0.00 177.93 179.28 1x3h n TYR 69 N -4.60 0.20 -0.12 2.45 9.36 0.12 0.24 117.16 124.81 1x3h n TYR 69 Ca -0.04 0.77 -0.12 0.00 3.32 0.00 0.00 57.90 61.83 1x3h n TYR 69 Cb 0.28 -0.85 -0.03 0.00 -0.63 0.00 0.00 39.34 38.12 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 0.89 0.00 2.98 3.86 -1.38 0.69 115.15 122.19 1x3h h HIS 70 Ca 0.29 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1x3h h HIS 70 Cb 0.45 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1x3h h HIS 70 CO -0.50 0.97 -0.06 0.45 0.86 0.00 0.00 177.93 179.66 1x3h h HIS 71 N 0.55 0.00 0.00 2.45 3.86 0.31 0.15 115.15 122.47 1x3h h HIS 71 Ca 0.07 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.96 1x3h h HIS 71 Cb 0.76 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.17 1x3h h HIS 71 CO 0.06 0.06 -2.03 0.54 0.86 0.00 0.00 177.93 177.42 1x3h n ARG 72 N -4.39 0.66 -0.04 2.45 1.74 0.13 -4.38 116.66 112.84 1x3h n ARG 72 Ca -0.03 0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 57.06 1x3h n ARG 72 Cb 0.14 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 29.83 1x3h n ARG 72 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1x3h h ARG 73 N 0.00 0.26 -6.09 5.56 2.43 0.85 -3.45 114.38 113.94 1x3h h ARG 73 Ca -0.41 -0.18 -0.70 0.00 -0.81 0.00 0.00 59.98 57.88 1x3h h ARG 73 Cb 2.12 0.02 0.08 0.00 -0.42 0.00 0.00 29.97 31.77 1x3h h ARG 73 CO 0.06 0.78 -0.14 0.41 -1.51 0.00 0.00 179.97 179.56 1x3h n GLY 74 N 0.48 -0.83 0.40 2.80 0.00 0.49 -4.83 105.19 103.69 1x3h n GLY 74 Ca -0.08 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 2.19 -1.47 -1.88 1.61 0.87 -1.90 -3.44 113.55 109.53 1x3h h SER 75 Ca -0.39 0.23 -0.60 0.00 -1.23 0.00 0.00 61.79 59.80 1x3h h SER 75 Cb 1.41 0.64 -0.13 0.00 -0.44 0.00 0.00 62.40 63.88 1x3h h SER 75 CO 0.62 -0.36 -0.57 -0.83 -0.53 0.00 0.00 176.83 175.16 1x3h s GLY 76 N -2.72 2.55 0.57 5.77 0.00 -1.26 -5.13 107.32 107.10 1x3h s GLY 76 Ca -0.15 -1.65 -0.18 0.00 0.00 0.00 0.00 44.72 42.74 1x3h s GLY 76 CO 0.65 -2.03 1.12 2.56 0.00 0.00 0.00 173.10 175.41 1x3h s PRO 77 N -3.79 3.22 0.20 2.90 0.04 -1.26 -5.05 135.00 131.25 1x3h s PRO 77 Ca 0.27 1.55 0.09 0.00 0.04 0.00 0.00 61.00 62.96 1x3h s PRO 77 Cb 0.07 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x3h s PRO 77 CO 0.13 -0.95 -0.09 0.45 0.04 0.00 0.00 177.00 176.59 1x3h s SER 78 N -1.98 4.24 -0.21 6.66 0.15 -1.26 -5.07 113.70 116.23 1x3h s SER 78 Ca 0.71 -0.63 -0.16 0.00 0.70 0.00 0.00 55.95 56.57 1x3h s SER 78 Cb -0.23 -0.70 -0.11 0.00 -1.71 0.00 0.00 66.02 63.27 1x3h s SER 78 CO 0.31 0.08 -0.16 -0.24 1.20 0.00 0.00 173.24 174.43 1x3h n SER 79 N -0.17 1.90 0.00 5.45 2.88 -1.26 -5.23 113.62 117.18 1x3h n SER 79 Ca -0.10 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1x3h n SER 79 Cb 0.56 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1x3h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42