#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 n SER 2 N 0.00 1.97 0.00 1.61 2.88 -1.26 -5.02 113.62 113.80 1x65 n SER 2 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1x65 n SER 2 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1x65 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x65 n SER 3 N -3.37 0.00 0.11 -3.46 3.41 -1.26 -5.09 113.62 103.96 1x65 n SER 3 Ca -0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1x65 n SER 3 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1x65 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x65 n GLY 4 N 0.00 -1.18 3.27 5.00 0.00 -1.26 -5.13 105.19 105.89 1x65 n GLY 4 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x65 s SER 5 N -2.79 2.76 -0.27 1.61 1.04 -1.26 -5.11 113.70 109.67 1x65 s SER 5 Ca 0.00 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1x65 s SER 5 Cb 0.00 -0.29 0.12 0.00 0.10 0.00 0.00 66.02 65.94 1x65 s SER 5 CO 0.00 0.27 0.24 -0.44 0.98 0.00 0.00 173.24 174.29 1x65 s SER 6 N -0.69 2.03 0.00 7.02 0.01 -1.26 -4.98 113.70 115.82 1x65 s SER 6 Ca 0.09 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x65 s SER 6 Cb -0.09 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1x65 s SER 6 CO -0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1x65 n GLY 7 N 5.30 -0.25 3.72 3.44 0.00 -1.26 -5.15 105.19 110.99 1x65 n GLY 7 Ca -0.04 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1x65 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x65 s ARG 8 N 0.00 4.45 0.13 1.61 3.03 -1.26 -4.89 118.95 122.03 1x65 s ARG 8 Ca 0.00 0.94 0.06 0.00 2.03 0.00 0.00 55.73 58.76 1x65 s ARG 8 Cb 0.00 -3.45 -0.04 0.00 -1.03 0.00 0.00 34.95 30.43 1x65 s ARG 8 CO 0.00 0.06 0.00 -1.21 -1.13 0.00 0.00 175.30 173.02 1x65 s GLU 9 N 0.80 2.48 0.22 3.89 2.02 -1.19 -4.96 118.70 121.96 1x65 s GLU 9 Ca 0.39 -0.98 0.10 0.00 0.02 0.00 0.00 54.97 54.50 1x65 s GLU 9 Cb -0.18 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1x65 s GLU 9 CO 0.19 0.49 -0.18 -1.64 0.02 0.00 0.00 175.26 174.15 1x65 s MET 10 N -2.65 1.44 0.02 1.61 -1.94 -1.26 -2.98 119.30 113.54 1x65 s MET 10 Ca 0.27 -1.60 -0.28 0.00 -1.71 0.00 0.00 55.69 52.36 1x65 s MET 10 Cb -0.10 -1.42 0.10 0.00 2.01 0.00 0.00 34.83 35.41 1x65 s MET 10 CO 0.18 0.26 0.89 0.20 -0.01 0.00 0.00 175.02 176.55 1x65 s GLY 11 N -3.19 -0.44 -0.11 -0.03 0.00 -1.21 -3.98 107.32 98.36 1x65 s GLY 11 Ca 0.23 0.89 -0.12 0.00 0.00 0.00 0.00 44.72 45.72 1x65 s GLY 11 CO 0.10 0.29 0.28 -1.34 0.00 0.00 0.00 173.10 172.43 1x65 s VAL 12 N -3.15 5.28 -0.03 1.40 -7.23 -0.62 -2.46 120.40 113.59 1x65 s VAL 12 Ca 0.06 0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 60.47 1x65 s VAL 12 Cb -0.01 -3.60 -0.06 0.00 0.56 0.00 0.00 36.38 33.27 1x65 s VAL 12 CO -0.08 0.49 1.64 -0.63 -0.31 0.00 0.00 175.10 176.21 1x65 s ILE 13 N -0.23 3.50 -0.09 -0.62 -1.09 -0.41 -0.57 121.20 121.68 1x65 s ILE 13 Ca 0.18 0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1x65 s ILE 13 Cb -0.14 -3.44 -0.28 0.00 -1.58 0.00 0.00 42.46 37.02 1x65 s ILE 13 CO 0.06 -0.05 0.50 0.00 -1.23 0.00 0.00 174.94 174.23 1x65 h ALA 14 N 9.25 0.35 -2.39 9.38 0.00 -1.83 0.48 119.26 134.51 1x65 h ALA 14 Ca -0.40 -1.30 -0.18 0.00 0.00 0.00 0.00 54.91 53.03 1x65 h ALA 14 Cb 1.18 0.59 -0.15 0.00 0.00 0.00 0.00 17.79 19.42 1x65 h ALA 14 CO 0.95 1.22 -0.65 0.00 0.00 0.00 0.00 179.25 180.77 1x65 s ALA 15 N -2.57 0.86 -0.30 0.00 0.00 -1.26 -4.80 121.76 113.68 1x65 s ALA 15 Ca -0.19 -1.45 0.20 0.00 0.00 0.00 0.00 51.96 50.52 1x65 s ALA 15 Cb 0.06 0.75 0.48 0.00 0.00 0.00 0.00 23.12 24.41 1x65 s ALA 15 CO 0.80 -0.46 1.06 -1.33 0.00 0.00 0.00 175.76 175.83 1x65 n MET 16 N -0.08 1.40 -1.11 0.00 0.00 -1.26 -1.37 117.12 114.70 1x65 n MET 16 Ca -0.07 -3.24 -0.35 0.00 0.00 0.00 0.00 57.70 54.04 1x65 n MET 16 Cb 0.63 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.56 1x65 n MET 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1x65 n ARG 17 N -0.36 0.00 -1.62 0.03 5.12 0.15 -4.56 116.66 115.41 1x65 n ARG 17 Ca 0.07 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 1x65 n ARG 17 Cb 0.81 -0.87 -0.09 0.00 -1.16 0.00 0.00 32.46 31.15 1x65 n ARG 17 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1x65 s ASP 18 N -0.87 3.74 0.00 0.55 -4.77 -1.26 -1.07 116.67 112.99 1x65 s ASP 18 Ca 0.51 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 1x65 s ASP 18 Cb -0.50 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 38.76 1x65 s ASP 18 CO 0.56 -4.25 0.00 0.61 0.70 0.00 0.00 175.17 172.80 1x65 n GLY 19 N 6.49 1.22 3.49 2.12 0.00 -1.26 -5.11 105.19 112.14 1x65 n GLY 19 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 1x65 n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x65 s PHE 20 N -0.31 -0.30 0.36 1.61 -0.71 -0.23 -3.74 117.98 114.66 1x65 s PHE 20 Ca 0.00 -0.01 0.07 0.00 -1.04 0.00 0.00 56.93 55.95 1x65 s PHE 20 Cb 0.00 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1x65 s PHE 20 CO 0.00 -0.90 0.24 0.20 -1.34 0.00 0.00 175.22 173.43 1x65 s GLY 21 N -2.82 2.45 0.30 1.99 0.00 -1.19 0.29 107.32 108.34 1x65 s GLY 21 Ca 0.05 -1.83 0.11 0.00 0.00 0.00 0.00 44.72 43.05 1x65 s GLY 21 CO -0.07 -1.57 -0.14 -1.36 0.00 0.00 0.00 173.10 169.96 1x65 s PHE 22 N -3.37 2.37 -0.04 1.90 0.40 -0.47 -1.90 117.98 116.87 1x65 s PHE 22 Ca 0.36 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1x65 s PHE 22 Cb 0.02 -1.14 0.03 0.00 0.51 0.00 0.00 43.02 42.44 1x65 s PHE 22 CO 0.24 0.66 0.06 0.42 0.70 0.00 0.00 175.22 177.31 1x65 s ILE 23 N -2.52 -0.11 -0.20 0.64 1.01 -1.25 -2.38 121.20 116.38 1x65 s ILE 23 Ca 0.31 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 61.20 1x65 s ILE 23 Cb -0.03 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1x65 s ILE 23 CO 0.16 0.17 0.51 -0.75 0.00 0.00 0.00 174.94 175.04 1x65 s LYS 24 N 2.12 4.18 0.32 2.79 2.36 0.26 -1.44 119.74 130.33 1x65 s LYS 24 Ca 0.04 0.39 -0.23 0.00 -2.55 0.00 0.00 55.97 53.62 1x65 s LYS 24 Cb -0.12 -3.57 -0.10 0.00 -1.05 0.00 0.00 37.83 33.00 1x65 s LYS 24 CO -0.03 -0.15 0.89 0.00 1.55 0.00 0.00 175.35 177.61 1x65 h VAL 26 N 2.49 0.53 0.00 0.00 2.07 -1.96 -3.35 116.25 116.02 1x65 h VAL 26 Ca -0.47 -1.79 -0.27 0.00 0.82 0.00 0.00 66.70 64.99 1x65 h VAL 26 Cb 1.19 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 1x65 h VAL 26 CO 0.64 0.30 -2.00 -0.67 0.02 0.00 0.00 177.57 175.86 1x65 n ASP 27 N -3.09 1.67 -4.79 0.57 -0.08 -1.26 -4.99 116.55 104.57 1x65 n ASP 27 Ca 0.00 -0.02 -0.31 0.00 -1.51 0.00 0.00 54.79 52.95 1x65 n ASP 27 Cb 0.69 0.62 -0.06 0.00 2.34 0.00 0.00 41.12 44.70 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1x65 s ARG 28 N -2.35 3.00 -0.65 -0.67 1.81 -1.26 -5.02 118.95 113.81 1x65 s ARG 28 Ca -0.11 -0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 53.29 1x65 s ARG 28 Cb 0.05 -2.80 0.44 0.00 -0.45 0.00 0.00 34.95 32.19 1x65 s ARG 28 CO 0.56 0.60 1.94 -3.47 -0.68 0.00 0.00 175.30 174.25 1x65 n ASP 29 N 0.68 7.39 -3.77 0.23 2.03 -1.26 -3.82 116.55 118.03 1x65 n ASP 29 Ca -0.10 -3.79 -0.19 0.00 0.52 0.00 0.00 54.79 51.23 1x65 n ASP 29 Cb 0.52 -0.92 -0.17 0.00 -0.72 0.00 0.00 41.12 39.83 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1x65 s VAL 30 N -4.84 0.17 0.95 5.18 -7.23 -1.26 -5.05 120.40 108.31 1x65 s VAL 30 Ca 0.62 0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.85 1x65 s VAL 30 Cb 0.49 -0.32 0.17 0.00 0.56 0.00 0.00 36.38 37.28 1x65 s VAL 30 CO -0.05 0.18 1.12 -0.13 -0.31 0.00 0.00 175.10 175.92 1x65 s ARG 31 N 1.52 0.74 -0.47 4.82 1.81 -1.26 -4.36 118.95 121.75 1x65 s ARG 31 Ca -0.03 1.41 0.06 0.00 -1.72 0.00 0.00 55.73 55.46 1x65 s ARG 31 Cb -0.13 -1.71 0.22 0.00 -0.45 0.00 0.00 34.95 32.89 1x65 s ARG 31 CO -0.03 -2.77 0.51 -0.12 -0.68 0.00 0.00 175.30 172.21 1x65 n MET 32 N -4.32 1.03 -1.45 3.54 0.00 -0.52 -4.91 117.12 110.49 1x65 n MET 32 Ca 0.10 -3.61 -0.45 0.00 -0.00 0.00 0.00 57.70 53.75 1x65 n MET 32 Cb 0.52 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 32.10 1x65 n MET 32 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 1x65 n PHE 33 N 1.73 -0.25 -4.33 1.12 -1.74 -1.26 -3.96 117.46 108.77 1x65 n PHE 33 Ca 0.25 0.76 -0.17 0.00 -0.56 0.00 0.00 57.45 57.73 1x65 n PHE 33 Cb 0.48 -2.02 -0.10 0.00 1.52 0.00 0.00 39.48 39.36 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 1x65 s PHE 34 N -1.22 1.57 0.18 2.97 -0.71 -0.80 -4.58 117.98 115.39 1x65 s PHE 34 Ca 0.62 -1.17 0.09 0.00 -1.04 0.00 0.00 56.93 55.42 1x65 s PHE 34 Cb -0.75 -0.93 -0.04 0.00 -1.21 0.00 0.00 43.02 40.09 1x65 s PHE 34 CO 0.58 -0.32 -0.08 -1.01 -1.34 0.00 0.00 175.22 173.05 1x65 s HIS 35 N -3.72 2.66 -0.06 3.49 3.76 -1.26 -3.15 115.29 117.01 1x65 s HIS 35 Ca 0.38 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.07 1x65 s HIS 35 Cb 0.08 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.47 1x65 s HIS 35 CO 0.14 0.51 2.20 1.19 -0.85 0.00 0.00 174.74 177.93 1x65 n PHE 36 N 0.03 0.26 0.00 1.40 3.01 -1.25 -3.37 117.46 117.54 1x65 n PHE 36 Ca -0.11 -1.22 0.00 0.00 1.01 0.00 0.00 57.45 57.14 1x65 n PHE 36 Cb 0.55 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1x65 n PHE 36 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x65 n SER 37 N 1.43 4.15 0.02 4.37 2.88 -1.26 -4.67 113.62 120.54 1x65 n SER 37 Ca 0.10 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.77 1x65 n SER 37 Cb 0.56 0.44 0.44 0.00 -0.75 0.00 0.00 64.21 64.90 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x65 n GLU 38 N -1.72 0.06 0.00 -1.46 -0.58 -1.22 -3.50 120.64 112.22 1x65 n GLU 38 Ca 0.00 0.04 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1x65 n GLU 38 Cb 0.39 -1.56 0.48 0.00 -0.57 0.00 0.00 31.44 30.19 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1x65 n ILE 39 N -1.66 0.00 0.17 -3.67 5.41 -1.26 -0.88 119.36 117.47 1x65 n ILE 39 Ca 0.06 0.00 0.19 0.00 1.00 0.00 0.00 62.75 64.00 1x65 n ILE 39 Cb 0.36 -0.70 0.75 0.00 -0.71 0.00 0.00 39.64 39.34 1x65 n ILE 39 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1x65 h LEU 40 N 0.00 0.00 -0.99 1.39 8.10 -1.83 -1.78 115.31 120.19 1x65 h LEU 40 Ca 0.00 0.00 0.35 0.00 0.11 0.00 0.00 57.88 58.34 1x65 h LEU 40 Cb 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 40.66 40.06 1x65 h LEU 40 CO 0.00 0.00 0.52 -0.78 -4.11 0.00 0.00 178.44 174.07 1x65 h ASP 41 N 0.00 0.39 0.00 0.17 1.82 -1.73 -3.45 116.42 113.62 1x65 h ASP 41 Ca 0.13 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1x65 h ASP 41 Cb 0.98 0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1x65 h ASP 41 CO -0.00 -0.25 0.00 0.61 -1.61 0.00 0.00 179.24 177.99 1x65 n GLY 42 N -1.29 1.10 0.00 -0.78 0.00 -0.67 -5.05 105.19 98.50 1x65 n GLY 42 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1x65 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x65 n ASN 43 N 0.00 0.00 -4.54 1.61 3.02 -1.26 -4.81 115.26 109.28 1x65 n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1x65 n ASN 43 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x65 s GLN 44 N -0.45 3.45 1.03 3.52 -0.21 -1.26 -4.95 119.66 120.79 1x65 s GLN 44 Ca 0.00 -0.18 -0.16 0.00 0.02 0.00 0.00 55.36 55.04 1x65 s GLN 44 Cb 0.00 -3.89 0.25 0.00 1.00 0.00 0.00 33.01 30.37 1x65 s GLN 44 CO 0.00 -0.92 0.56 1.28 -2.12 0.00 0.00 175.29 174.10 1x65 n LEU 45 N 6.23 0.00 -3.65 2.90 7.99 -1.26 -5.07 117.00 124.14 1x65 n LEU 45 Ca -0.01 -0.57 -0.01 0.00 -0.01 0.00 0.00 56.01 55.40 1x65 n LEU 45 Cb 0.48 -0.72 -0.04 0.00 -0.11 0.00 0.00 43.42 43.03 1x65 n LEU 45 CO 0.52 -2.44 1.18 -1.00 -1.51 0.00 0.00 177.39 174.15 1x65 s HIS 46 N -1.81 -0.02 -0.35 -1.77 3.76 -1.26 -5.07 115.29 108.78 1x65 s HIS 46 Ca 0.44 0.03 -0.40 0.00 -0.15 0.00 0.00 55.06 54.98 1x65 s HIS 46 Cb -0.08 0.50 -0.15 0.00 1.11 0.00 0.00 32.58 33.96 1x65 s HIS 46 CO 0.37 -0.02 1.92 -0.89 -0.85 0.00 0.00 174.74 175.27 1x65 n ILE 47 N 0.54 0.21 -2.24 0.60 2.08 -1.26 -1.52 119.36 117.77 1x65 n ILE 47 Ca 0.00 -0.10 -0.04 0.00 0.56 0.00 0.00 62.75 63.17 1x65 n ILE 47 Cb 0.59 -1.19 0.02 0.00 -0.75 0.00 0.00 39.64 38.31 1x65 n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 n ALA 48 N 6.84 -0.73 -2.69 -1.39 0.00 0.17 -4.96 120.51 117.76 1x65 n ALA 48 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1x65 n ALA 48 Cb 0.12 -1.36 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x65 s ASP 49 N -3.28 3.21 0.29 0.00 1.11 -0.58 -4.73 116.67 112.70 1x65 s ASP 49 Ca 0.05 -0.47 -0.26 0.00 0.18 0.00 0.00 52.55 52.04 1x65 s ASP 49 Cb -0.01 -0.83 -0.09 0.00 1.07 0.00 0.00 42.92 43.06 1x65 s ASP 49 CO 0.20 0.26 0.92 -1.61 1.18 0.00 0.00 175.17 176.12 1x65 s GLU 50 N -0.23 4.62 -0.10 8.23 2.02 -1.25 -1.29 118.70 130.69 1x65 s GLU 50 Ca -0.01 1.32 -0.12 0.00 0.02 0.00 0.00 54.97 56.18 1x65 s GLU 50 Cb -0.13 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.20 1x65 s GLU 50 CO 0.03 0.35 0.31 0.14 0.02 0.00 0.00 175.26 176.11 1x65 s VAL 51 N -1.50 0.01 -0.15 2.63 -7.23 -1.03 -2.84 120.40 110.30 1x65 s VAL 51 Ca 0.47 -0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 1x65 s VAL 51 Cb -0.20 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1x65 s VAL 51 CO 0.25 -0.06 0.05 -0.70 -0.31 0.00 0.00 175.10 174.33 1x65 s GLU 52 N -0.17 3.69 0.02 4.82 -6.30 -0.15 -3.29 118.70 117.34 1x65 s GLU 52 Ca -0.03 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.09 1x65 s GLU 52 Cb -0.03 -3.09 -0.02 0.00 0.00 0.00 0.00 34.13 30.99 1x65 s GLU 52 CO 0.01 0.41 -0.04 -0.59 0.02 0.00 0.00 175.26 175.07 1x65 s PHE 53 N -0.02 0.33 -0.05 5.30 -0.12 -1.16 -2.67 117.98 119.59 1x65 s PHE 53 Ca 0.05 -0.56 -0.26 0.00 -0.05 0.00 0.00 56.93 56.11 1x65 s PHE 53 Cb -0.12 -0.23 -0.21 0.00 -0.63 0.00 0.00 43.02 41.83 1x65 s PHE 53 CO 0.01 -0.19 1.15 1.15 -0.05 0.00 0.00 175.22 177.29 1x65 h THR 54 N 4.53 1.45 -4.30 -4.49 2.02 -1.86 -3.15 112.91 107.10 1x65 h THR 54 Ca -0.33 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1x65 h THR 54 Cb 1.20 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1x65 h THR 54 CO 0.43 0.36 -0.98 0.52 0.37 0.00 0.00 175.52 176.21 1x65 n VAL 55 N -4.81 -9.22 -3.68 3.16 0.31 -1.25 -4.68 118.33 98.16 1x65 n VAL 55 Ca -0.09 3.06 -0.14 0.00 -0.01 0.00 0.00 64.34 67.16 1x65 n VAL 55 Cb 0.30 -4.41 -0.08 0.00 -0.91 0.00 0.00 33.84 28.74 1x65 n VAL 55 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x65 s VAL 56 N -1.41 0.02 -1.01 2.52 -7.23 -1.25 -5.03 120.40 107.00 1x65 s VAL 56 Ca 0.00 -0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 59.80 1x65 s VAL 56 Cb 0.00 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1x65 s VAL 56 CO 0.00 -0.07 1.94 -2.16 -0.31 0.00 0.00 175.10 174.50 1x65 s PRO 57 N -0.49 2.53 0.99 4.82 0.04 -1.26 -4.28 135.00 137.35 1x65 s PRO 57 Ca -0.06 -0.64 -0.17 0.00 0.04 0.00 0.00 61.00 60.17 1x65 s PRO 57 Cb -0.03 -5.13 -0.08 0.00 0.04 0.00 0.00 34.50 29.29 1x65 s PRO 57 CO 0.04 -3.63 -0.46 -3.47 0.04 0.00 0.00 177.00 169.52 1x65 n ASP 58 N 14.16 -4.25 -1.32 6.66 2.03 -1.26 -4.92 116.55 127.65 1x65 n ASP 58 Ca 0.42 0.18 -0.07 0.00 0.52 0.00 0.00 54.79 55.84 1x65 n ASP 58 Cb 0.47 -0.88 0.12 0.00 -0.72 0.00 0.00 41.12 40.10 1x65 n ASP 58 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1x65 n MET 59 N 0.89 2.41 0.07 -0.67 0.00 -1.26 -4.76 117.12 113.80 1x65 n MET 59 Ca 0.01 -3.64 0.00 0.00 0.00 0.00 0.00 57.70 54.07 1x65 n MET 59 Cb 0.58 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 31.96 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1x65 n LEU 60 N -0.86 0.07 -4.07 3.17 4.77 -1.26 -5.07 117.00 113.75 1x65 n LEU 60 Ca 0.29 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 56.18 1x65 n LEU 60 Cb 0.83 0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 41.89 1x65 n LEU 60 CO 0.15 -0.60 -0.51 -0.44 -1.33 0.00 0.00 177.39 174.67 1x65 s SER 61 N -5.13 2.93 0.00 -1.43 0.01 -1.26 -5.01 113.70 103.81 1x65 s SER 61 Ca 0.00 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 1x65 s SER 61 Cb 0.00 -1.32 -0.13 0.00 0.21 0.00 0.00 66.02 64.77 1x65 s SER 61 CO 0.00 -0.03 2.75 0.00 0.41 0.00 0.00 173.24 176.37 1x65 n ALA 62 N 4.70 5.10 0.00 1.44 0.00 -1.26 -4.44 120.51 126.05 1x65 n ALA 62 Ca -0.19 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.24 1x65 n ALA 62 Cb 0.50 -1.69 0.08 0.00 0.00 0.00 0.00 19.45 18.34 1x65 n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x65 n GLN 63 N 2.03 1.59 -0.55 0.00 6.02 -1.26 -4.96 117.38 120.26 1x65 n GLN 63 Ca 0.21 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 1x65 n GLN 63 Cb 0.69 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1x65 n GLN 63 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x65 n ARG 64 N -0.22 -1.53 -1.50 -1.09 3.00 -1.26 -4.86 116.66 109.19 1x65 n ARG 64 Ca 0.26 1.11 -0.52 0.00 -0.00 0.00 0.00 57.85 58.70 1x65 n ARG 64 Cb 1.02 -1.23 -0.05 0.00 0.00 0.00 0.00 32.46 32.20 1x65 n ARG 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1x65 n ASN 65 N -0.28 0.10 -5.01 6.15 3.02 -1.26 -4.96 115.26 113.01 1x65 n ASN 65 Ca 0.00 1.15 -0.20 0.00 -0.03 0.00 0.00 54.58 55.49 1x65 n ASN 65 Cb 0.00 -1.03 0.05 0.00 -0.61 0.00 0.00 39.78 38.18 1x65 n ASN 65 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1x65 s HIS 66 N -0.37 1.61 -0.23 3.10 -3.43 -1.26 -4.92 115.29 109.80 1x65 s HIS 66 Ca 0.77 -0.70 -0.05 0.00 -0.80 0.00 0.00 55.06 54.28 1x65 s HIS 66 Cb -1.02 -2.19 -0.02 0.00 -1.43 0.00 0.00 32.58 27.92 1x65 s HIS 66 CO 0.55 -0.97 0.00 0.00 -2.00 0.00 0.00 174.74 172.32 1x65 s ALA 67 N -2.64 2.95 0.27 -1.38 0.00 -1.26 -3.91 121.76 115.79 1x65 s ALA 67 Ca 0.57 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1x65 s ALA 67 Cb -0.06 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1x65 s ALA 67 CO 0.36 -0.45 0.37 0.96 0.00 0.00 0.00 175.76 177.00 1x65 s ILE 68 N 1.52 4.72 -0.61 0.00 -4.36 -1.26 -4.68 121.20 116.52 1x65 s ILE 68 Ca 0.06 -1.07 -0.02 0.00 -0.26 0.00 0.00 60.65 59.37 1x65 s ILE 68 Cb -0.15 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.93 1x65 s ILE 68 CO -0.01 -0.27 0.46 0.54 0.24 0.00 0.00 174.94 175.90 1x65 n ARG 69 N -1.44 -1.19 -2.16 0.37 5.12 -1.26 -3.96 116.66 112.14 1x65 n ARG 69 Ca -0.06 0.59 -0.43 0.00 -1.93 0.00 0.00 57.85 56.02 1x65 n ARG 69 Cb 0.58 -1.66 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x65 s ILE 70 N -2.66 3.67 -0.20 0.55 1.01 -0.06 -4.68 121.20 118.83 1x65 s ILE 70 Ca 0.02 0.67 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 1x65 s ILE 70 Cb -0.00 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1x65 s ILE 70 CO 0.68 -0.58 -0.14 -0.75 0.00 0.00 0.00 174.94 174.15 1x65 s LYS 71 N 5.35 3.08 0.01 2.79 2.20 -1.09 -4.24 119.74 127.84 1x65 s LYS 71 Ca 0.71 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1x65 s LYS 71 Cb -0.18 -2.75 -0.06 0.00 -1.51 0.00 0.00 37.83 33.33 1x65 s LYS 71 CO 0.33 -0.23 1.46 0.21 -0.36 0.00 0.00 175.35 176.76 1x65 s LYS 72 N 1.35 4.26 0.37 4.03 2.20 -1.26 -0.97 119.74 129.71 1x65 s LYS 72 Ca 0.04 2.04 -0.12 0.00 -0.36 0.00 0.00 55.97 57.57 1x65 s LYS 72 Cb -0.14 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.51 1x65 s LYS 72 CO -0.09 -0.62 0.75 -0.51 -0.36 0.00 0.00 175.35 174.53 1x65 s LEU 73 N 2.51 3.93 0.49 5.43 1.43 -1.13 -4.93 118.68 126.41 1x65 s LEU 73 Ca 0.66 1.20 -0.22 0.00 -1.03 0.00 0.00 54.13 54.74 1x65 s LEU 73 Cb -0.33 -4.05 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 1x65 s LEU 73 CO 0.28 -0.31 1.15 -2.16 0.23 0.00 0.00 176.35 175.53 1x65 s PRO 74 N -3.46 3.62 0.03 1.29 0.04 -1.26 -4.77 135.00 130.48 1x65 s PRO 74 Ca 0.53 1.71 -0.34 0.00 0.04 0.00 0.00 61.00 62.94 1x65 s PRO 74 Cb -0.10 -2.26 -0.13 0.00 0.04 0.00 0.00 34.50 32.05 1x65 s PRO 74 CO 0.25 -0.65 1.74 1.17 0.04 0.00 0.00 177.00 179.55 1x65 n LYS 75 N -0.77 2.15 0.00 4.56 4.81 -1.26 -2.62 118.16 125.04 1x65 n LYS 75 Ca 0.09 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1x65 n LYS 75 Cb 0.49 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x65 n GLY 76 N 3.94 3.36 0.34 3.14 0.00 -1.26 -4.93 105.19 109.77 1x65 n GLY 76 Ca 0.20 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.36 1x65 n GLY 76 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x65 h THR 77 N 0.00 0.06 -2.20 2.61 2.02 -1.89 -3.40 112.91 110.11 1x65 h THR 77 Ca 0.00 -0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.60 1x65 h THR 77 Cb 0.00 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 66.35 1x65 h THR 77 CO 0.00 0.00 -0.67 -0.69 0.37 0.00 0.00 175.52 174.53 1x65 s VAL 78 N -6.14 3.20 0.00 3.16 1.01 -1.26 -5.13 120.40 115.24 1x65 s VAL 78 Ca -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 59.80 1x65 s VAL 78 Cb 0.27 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1x65 s VAL 78 CO 0.77 -0.38 0.00 -1.20 0.00 0.00 0.00 175.10 174.30 1x65 n SER 79 N -0.83 0.00 -2.39 3.32 7.64 -1.26 -5.02 113.62 115.08 1x65 n SER 79 Ca -0.06 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.53 1x65 n SER 79 Cb 0.59 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1x65 n SER 79 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1x65 n PHE 80 N -0.02 3.13 -1.62 1.43 3.01 -1.26 -5.03 117.46 117.11 1x65 n PHE 80 Ca 0.00 -2.71 0.00 0.00 1.01 0.00 0.00 57.45 55.75 1x65 n PHE 80 Cb 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1x65 n PHE 80 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1x65 n HIS 81 N -0.61 -4.45 -2.64 1.38 8.25 -1.26 -4.99 115.22 110.90 1x65 n HIS 81 Ca 0.45 2.39 -0.22 0.00 -0.26 0.00 0.00 57.72 60.08 1x65 n HIS 81 Cb 0.69 -3.62 0.08 0.00 1.12 0.00 0.00 29.99 28.26 1x65 n HIS 81 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x65 s SER 82 N -4.38 4.73 0.36 0.41 1.04 -1.26 -5.11 113.70 109.49 1x65 s SER 82 Ca 0.00 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.19 1x65 s SER 82 Cb 0.00 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 1x65 s SER 82 CO 0.00 -1.57 0.53 -1.38 0.98 0.00 0.00 173.24 171.80 1x65 s HIS 83 N -2.97 3.20 0.20 5.02 -3.43 -1.26 -5.03 115.29 111.01 1x65 s HIS 83 Ca 0.63 -0.03 -0.32 0.00 -0.80 0.00 0.00 55.06 54.54 1x65 s HIS 83 Cb -0.07 -2.05 -0.15 0.00 -1.43 0.00 0.00 32.58 28.88 1x65 s HIS 83 CO 0.42 -0.07 1.24 0.45 -2.00 0.00 0.00 174.74 174.78 1x65 n SER 84 N -1.76 1.80 0.00 7.38 2.88 -1.26 -4.93 113.62 117.73 1x65 n SER 84 Ca -0.01 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1x65 n SER 84 Cb 0.58 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1x65 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x65 n GLY 85 N 2.06 -1.83 3.74 0.46 0.00 -1.26 -4.59 105.19 103.77 1x65 n GLY 85 Ca 0.14 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 1x65 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x65 s PRO 86 N -0.36 4.40 0.41 1.61 0.04 -1.26 -5.04 135.00 134.80 1x65 s PRO 86 Ca 0.00 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.16 1x65 s PRO 86 Cb 0.00 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 1x65 s PRO 86 CO 0.00 -0.22 0.08 -1.12 0.04 0.00 0.00 177.00 175.79 1x65 s SER 87 N 0.20 4.13 -0.21 6.66 0.01 -1.26 -4.95 113.70 118.27 1x65 s SER 87 Ca 0.55 -1.23 -0.05 0.00 1.31 0.00 0.00 55.95 56.53 1x65 s SER 87 Cb -0.36 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.45 1x65 s SER 87 CO 0.40 -0.48 0.11 -1.20 0.41 0.00 0.00 173.24 172.47 1x65 n SER 88 N -1.09 -4.62 0.00 2.44 7.64 -1.26 -5.25 113.62 111.48 1x65 n SER 88 Ca -0.03 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1x65 n SER 88 Cb 0.66 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64