#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 s SER 2 N 0.00 4.40 -0.30 1.61 0.15 -1.26 -5.07 113.70 113.23 1x65 s SER 2 Ca 0.00 -1.92 0.03 0.00 0.70 0.00 0.00 55.95 54.76 1x65 s SER 2 Cb 0.00 -1.26 0.08 0.00 -1.71 0.00 0.00 66.02 63.13 1x65 s SER 2 CO 0.00 -0.39 -0.03 -0.44 1.20 0.00 0.00 173.24 173.57 1x65 s SER 3 N 1.23 4.55 0.00 5.45 0.01 -1.26 -4.95 113.70 118.74 1x65 s SER 3 Ca 0.11 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.63 1x65 s SER 3 Cb -0.18 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1x65 s SER 3 CO -0.16 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1x65 n GLY 4 N 4.37 1.17 1.43 3.44 0.00 -1.26 -5.11 105.19 109.23 1x65 n GLY 4 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x65 n SER 5 N 0.00 0.18 -0.07 1.61 2.88 -1.26 -4.98 113.62 111.98 1x65 n SER 5 Ca 0.00 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1x65 n SER 5 Cb 0.00 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1x65 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x65 n SER 6 N -3.02 1.58 0.00 -3.46 7.64 -1.26 -5.14 113.62 109.96 1x65 n SER 6 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x65 n SER 6 Cb 0.20 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1x65 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x65 n GLY 7 N 1.95 4.82 3.19 0.23 0.00 -1.26 -5.10 105.19 109.02 1x65 n GLY 7 Ca -0.21 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1x65 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x65 s ARG 8 N -4.40 2.80 0.05 1.61 0.52 -1.26 -4.49 118.95 113.78 1x65 s ARG 8 Ca 0.00 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.22 1x65 s ARG 8 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1x65 s ARG 8 CO 0.00 -0.41 0.10 -1.21 0.02 0.00 0.00 175.30 173.80 1x65 s GLU 9 N 1.31 3.04 0.11 3.54 0.41 -1.03 -4.88 118.70 121.21 1x65 s GLU 9 Ca -0.00 -0.58 0.03 0.00 -0.41 0.00 0.00 54.97 54.01 1x65 s GLU 9 Cb -0.17 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1x65 s GLU 9 CO -0.04 0.60 0.14 -1.64 -0.49 0.00 0.00 175.26 173.82 1x65 s MET 10 N -2.20 3.01 0.07 1.61 -1.94 -1.26 -2.90 119.30 115.70 1x65 s MET 10 Ca 0.28 -0.72 -0.20 0.00 -1.71 0.00 0.00 55.69 53.34 1x65 s MET 10 Cb -0.12 -2.76 0.05 0.00 2.01 0.00 0.00 34.83 34.00 1x65 s MET 10 CO 0.20 0.54 0.48 0.20 -0.01 0.00 0.00 175.02 176.43 1x65 s GLY 11 N -2.74 -0.38 -0.09 -0.03 0.00 -1.08 -3.39 107.32 99.61 1x65 s GLY 11 Ca 0.31 0.39 -0.10 0.00 0.00 0.00 0.00 44.72 45.32 1x65 s GLY 11 CO 0.24 0.10 0.23 -1.34 0.00 0.00 0.00 173.10 172.33 1x65 s VAL 12 N -2.84 5.35 0.20 1.40 -7.23 -0.78 -2.76 120.40 113.72 1x65 s VAL 12 Ca -0.03 0.42 -0.31 0.00 -1.81 0.00 0.00 61.98 60.26 1x65 s VAL 12 Cb -0.00 -3.51 -0.09 0.00 0.56 0.00 0.00 36.38 33.33 1x65 s VAL 12 CO -0.05 0.59 1.43 -0.63 -0.31 0.00 0.00 175.10 176.12 1x65 s ILE 13 N -0.89 2.89 -0.03 -0.62 -1.09 -1.21 0.23 121.20 120.48 1x65 s ILE 13 Ca 0.17 0.70 0.14 0.00 -2.23 0.00 0.00 60.65 59.44 1x65 s ILE 13 Cb -0.13 -3.45 -0.21 0.00 -1.58 0.00 0.00 42.46 37.08 1x65 s ILE 13 CO 0.07 0.09 0.28 0.00 -1.23 0.00 0.00 174.94 174.15 1x65 n ALA 14 N 3.00 2.45 -3.30 9.38 0.00 0.14 -1.89 120.51 130.29 1x65 n ALA 14 Ca 0.09 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1x65 n ALA 14 Cb 0.41 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 1x65 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x65 s ALA 15 N -2.91 -0.54 -0.36 0.00 0.00 -1.21 -4.87 121.76 111.86 1x65 s ALA 15 Ca -0.05 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1x65 s ALA 15 Cb 0.08 0.97 0.40 0.00 0.00 0.00 0.00 23.12 24.58 1x65 s ALA 15 CO 0.58 -0.87 1.47 -1.33 0.00 0.00 0.00 175.76 175.61 1x65 n MET 16 N -0.38 1.30 -0.65 0.00 0.00 -1.26 -3.03 117.12 113.10 1x65 n MET 16 Ca -0.04 -1.48 -0.31 0.00 0.00 0.00 0.00 57.70 55.87 1x65 n MET 16 Cb 0.62 0.22 0.18 0.00 0.00 0.00 0.00 33.22 34.24 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 -1.16 -1.24 -2.11 0.03 3.00 -0.50 -4.80 116.66 109.88 1x65 n ARG 17 Ca -0.12 -0.32 -0.29 0.00 -0.01 0.00 0.00 57.85 57.11 1x65 n ARG 17 Cb 0.87 -2.02 -0.05 0.00 0.00 0.00 0.00 32.46 31.25 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x65 s ASP 18 N -2.22 5.31 0.00 0.55 1.01 -1.26 -2.69 116.67 117.37 1x65 s ASP 18 Ca 0.62 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1x65 s ASP 18 Cb -0.21 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1x65 s ASP 18 CO 0.64 -2.61 0.00 0.61 0.21 0.00 0.00 175.17 174.03 1x65 n GLY 19 N 6.80 4.09 0.00 0.21 0.00 -1.26 -5.11 105.19 109.92 1x65 n GLY 19 Ca 0.40 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1x65 n GLY 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x65 n PHE 20 N 0.00 -0.59 -2.71 1.61 -1.74 -1.10 -4.31 117.46 108.63 1x65 n PHE 20 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1x65 n PHE 20 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x65 n GLY 21 N 0.00 1.82 3.04 4.97 0.00 -1.25 -1.41 105.19 112.36 1x65 n GLY 21 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 1x65 n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x65 s PHE 22 N -3.51 0.41 -0.16 1.61 0.08 -1.17 -4.03 117.98 111.21 1x65 s PHE 22 Ca 0.00 -0.82 -0.04 0.00 0.12 0.00 0.00 56.93 56.18 1x65 s PHE 22 Cb 0.00 -0.30 0.06 0.00 -0.57 0.00 0.00 43.02 42.21 1x65 s PHE 22 CO 0.00 -0.29 0.11 0.42 -0.10 0.00 0.00 175.22 175.36 1x65 s ILE 23 N -2.80 -0.13 -0.63 0.64 1.01 -1.25 -0.68 121.20 117.35 1x65 s ILE 23 Ca -0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 1x65 s ILE 23 Cb -0.00 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 42.00 1x65 s ILE 23 CO -0.06 -0.21 0.92 -0.75 0.00 0.00 0.00 174.94 174.84 1x65 s LYS 24 N 2.18 3.13 1.09 2.79 2.20 0.13 -1.31 119.74 129.94 1x65 s LYS 24 Ca 0.03 -0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 54.68 1x65 s LYS 24 Cb -0.15 -4.21 0.24 0.00 -1.51 0.00 0.00 37.83 32.20 1x65 s LYS 24 CO -0.09 -1.73 1.06 0.00 -0.36 0.00 0.00 175.35 174.23 1x65 h VAL 26 N -2.28 1.15 -0.16 0.00 2.07 -1.95 -3.37 116.25 111.72 1x65 h VAL 26 Ca -0.59 -1.92 -0.14 0.00 0.82 0.00 0.00 66.70 64.88 1x65 h VAL 26 Cb 1.34 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1x65 h VAL 26 CO 0.55 0.39 -0.48 -0.78 0.02 0.00 0.00 177.57 177.26 1x65 h ASP 27 N -1.00 0.44 -3.26 0.57 3.58 -1.95 -3.42 116.42 111.38 1x65 h ASP 27 Ca -0.04 -0.22 -0.61 0.00 0.42 0.00 0.00 57.03 56.59 1x65 h ASP 27 Cb 0.76 -0.13 -0.13 0.00 1.72 0.00 0.00 39.33 41.55 1x65 h ASP 27 CO -0.02 0.86 -0.51 -0.13 -2.88 0.00 0.00 179.24 176.55 1x65 s ARG 28 N -4.05 4.11 -0.33 0.28 0.52 -1.26 -4.98 118.95 113.24 1x65 s ARG 28 Ca -0.06 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1x65 s ARG 28 Cb 0.12 -3.36 0.34 0.00 0.52 0.00 0.00 34.95 32.58 1x65 s ARG 28 CO 0.81 0.31 1.77 -3.47 0.02 0.00 0.00 175.30 174.74 1x65 n ASP 29 N 3.48 4.99 -4.29 0.23 2.03 -1.26 -3.42 116.55 118.30 1x65 n ASP 29 Ca -0.16 -3.09 -0.16 0.00 0.52 0.00 0.00 54.79 51.90 1x65 n ASP 29 Cb 0.52 -0.86 -0.10 0.00 -0.72 0.00 0.00 41.12 39.96 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 -2.41 1.05 0.09 5.18 -7.23 -1.26 -5.03 120.40 110.78 1x65 s VAL 30 Ca 0.36 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 1x65 s VAL 30 Cb 0.30 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 35.02 1x65 s VAL 30 CO 0.03 -0.49 0.54 0.00 -0.31 0.00 0.00 175.10 174.88 1x65 s ARG 31 N -3.83 4.09 -0.66 4.82 1.70 -1.26 -3.65 118.95 120.17 1x65 s ARG 31 Ca 0.24 0.62 -0.09 0.00 -0.47 0.00 0.00 55.73 56.03 1x65 s ARG 31 Cb 0.05 -3.14 0.17 0.00 -0.57 0.00 0.00 34.95 31.46 1x65 s ARG 31 CO 0.05 0.60 0.54 1.41 -1.08 0.00 0.00 175.30 176.82 1x65 s MET 32 N -1.38 2.95 -0.29 3.89 1.75 -0.43 -4.81 119.30 120.98 1x65 s MET 32 Ca 0.31 -2.27 -0.36 0.00 -1.25 0.00 0.00 55.69 52.12 1x65 s MET 32 Cb -0.18 -4.07 -0.12 0.00 2.84 0.00 0.00 34.83 33.30 1x65 s MET 32 CO 0.18 -1.23 2.06 0.34 -0.65 0.00 0.00 175.02 175.73 1x65 n PHE 33 N 4.12 1.80 -4.45 4.11 7.35 -1.26 -3.92 117.46 125.21 1x65 n PHE 33 Ca 0.05 0.27 -0.25 0.00 -0.76 0.00 0.00 57.45 56.76 1x65 n PHE 33 Cb 0.42 -2.54 -0.11 0.00 0.35 0.00 0.00 39.48 37.60 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1x65 s PHE 34 N 6.17 2.30 0.17 -5.13 -0.71 -1.26 -4.60 117.98 114.91 1x65 s PHE 34 Ca 1.05 -0.34 0.05 0.00 -1.04 0.00 0.00 56.93 56.65 1x65 s PHE 34 Cb -0.86 -1.05 -0.04 0.00 -1.21 0.00 0.00 43.02 39.86 1x65 s PHE 34 CO 0.52 0.63 0.13 -1.01 -1.34 0.00 0.00 175.22 174.16 1x65 s HIS 35 N -2.17 3.14 -0.06 3.49 3.76 -1.26 -3.79 115.29 118.40 1x65 s HIS 35 Ca 0.26 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.14 1x65 s HIS 35 Cb -0.06 -1.51 0.01 0.00 1.11 0.00 0.00 32.58 32.13 1x65 s HIS 35 CO 0.13 0.52 2.18 1.19 -0.85 0.00 0.00 174.74 177.90 1x65 n PHE 36 N -0.36 0.28 0.00 1.40 3.01 -1.26 -3.33 117.46 117.20 1x65 n PHE 36 Ca -0.08 -1.22 0.00 0.00 1.01 0.00 0.00 57.45 57.16 1x65 n PHE 36 Cb 0.55 -0.70 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 0.43 1.01 0.00 0.00 176.76 178.20 1x65 n SER 37 N 1.40 4.28 0.01 4.37 7.64 -1.26 -4.65 113.62 125.41 1x65 n SER 37 Ca 0.10 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.10 1x65 n SER 37 Cb 0.55 0.78 0.28 0.00 -1.01 0.00 0.00 64.21 64.81 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x65 n GLU 38 N -1.38 0.05 0.00 1.43 -0.58 -1.21 -3.76 120.64 115.20 1x65 n GLU 38 Ca 0.00 0.02 0.09 0.00 -0.42 0.00 0.00 57.16 56.84 1x65 n GLU 38 Cb 0.08 -1.53 0.51 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.61 0.00 0.31 -3.67 5.41 -1.26 -0.76 119.36 117.77 1x65 n ILE 39 Ca 0.05 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.96 1x65 n ILE 39 Cb 0.35 -0.70 0.79 0.00 -0.71 0.00 0.00 39.64 39.37 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 -1.15 1.39 8.10 -1.84 -2.18 115.31 119.63 1x65 h LEU 40 Ca 0.00 0.00 0.42 0.00 0.11 0.00 0.00 57.88 58.41 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 0.67 -2.24 -4.11 0.00 0.00 178.44 172.76 1x65 h ASP 41 N 0.00 0.32 0.00 0.17 2.03 -1.72 -3.45 116.42 113.77 1x65 h ASP 41 Ca 0.02 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1x65 h ASP 41 Cb 0.76 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 1x65 h ASP 41 CO -0.00 -0.30 0.00 0.61 -1.03 0.00 0.00 179.24 178.52 1x65 n GLY 42 N -1.36 0.89 0.00 7.15 0.00 -0.82 -5.05 105.19 105.99 1x65 n GLY 42 Ca 0.37 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.37 1.61 3.02 -1.26 -4.86 115.26 109.40 1x65 n ASN 43 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1x65 n ASN 43 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1x65 s GLN 44 N -1.97 2.88 1.19 3.52 0.74 -1.26 -4.97 119.66 119.79 1x65 s GLN 44 Ca 0.00 -1.30 -0.13 0.00 0.05 0.00 0.00 55.36 53.98 1x65 s GLN 44 Cb 0.00 -3.99 0.30 0.00 1.10 0.00 0.00 33.01 30.42 1x65 s GLN 44 CO 0.00 -0.94 1.02 -0.51 -0.55 0.00 0.00 175.29 174.31 1x65 s LEU 45 N 1.59 0.63 -0.21 3.68 1.02 -1.26 -5.07 118.68 119.06 1x65 s LEU 45 Ca 0.04 1.44 -0.28 0.00 0.02 0.00 0.00 54.13 55.35 1x65 s LEU 45 Cb -0.23 -3.30 0.14 0.00 0.02 0.00 0.00 46.19 42.82 1x65 s LEU 45 CO 0.06 -4.33 1.07 -2.28 0.02 0.00 0.00 176.35 170.89 1x65 s HIS 46 N -2.45 -0.35 -0.35 0.29 2.46 -1.26 -5.08 115.29 108.54 1x65 s HIS 46 Ca 0.69 0.71 -0.33 0.00 0.47 0.00 0.00 55.06 56.60 1x65 s HIS 46 Cb -0.25 0.43 -0.14 0.00 -0.13 0.00 0.00 32.58 32.50 1x65 s HIS 46 CO 0.65 -0.26 1.25 -0.89 -2.47 0.00 0.00 174.74 173.01 1x65 n ILE 47 N 1.20 0.00 -2.33 0.89 2.08 -1.26 -1.63 119.36 118.31 1x65 n ILE 47 Ca -0.10 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.16 1x65 n ILE 47 Cb 0.57 -0.35 0.03 0.00 -0.75 0.00 0.00 39.64 39.14 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 3.60 -1.61 -3.20 -1.39 0.00 -0.79 -4.94 120.51 112.17 1x65 n ALA 48 Ca 0.27 0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 1x65 n ALA 48 Cb -0.04 -2.47 -0.17 0.00 0.00 0.00 0.00 19.45 16.78 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 -3.00 2.48 0.15 0.00 1.01 -0.64 -4.79 116.67 111.88 1x65 s ASP 49 Ca 0.16 -0.43 -0.31 0.00 0.71 0.00 0.00 52.55 52.69 1x65 s ASP 49 Cb -0.02 -1.02 -0.08 0.00 1.01 0.00 0.00 42.92 42.80 1x65 s ASP 49 CO 0.36 0.12 1.38 -1.61 0.21 0.00 0.00 175.17 175.64 1x65 s GLU 50 N 0.35 4.33 -0.01 8.23 2.02 -1.26 -3.28 118.70 129.07 1x65 s GLU 50 Ca -0.13 2.11 -0.02 0.00 0.02 0.00 0.00 54.97 56.94 1x65 s GLU 50 Cb -0.16 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1x65 s GLU 50 CO 0.06 -0.40 0.04 0.14 0.02 0.00 0.00 175.26 175.12 1x65 s VAL 51 N 0.78 0.01 -0.16 2.63 -7.23 -1.11 -0.61 120.40 114.71 1x65 s VAL 51 Ca 0.63 -0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.66 1x65 s VAL 51 Cb -0.38 -0.10 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 1x65 s VAL 51 CO 0.33 -0.06 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.30 1x65 s GLU 52 N -0.16 3.55 0.06 4.82 2.12 -0.40 -2.63 118.70 126.07 1x65 s GLU 52 Ca -0.02 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.75 1x65 s GLU 52 Cb -0.01 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 1x65 s GLU 52 CO 0.00 0.17 -0.07 -0.59 -0.54 0.00 0.00 175.26 174.23 1x65 s PHE 53 N 0.52 0.74 -0.10 5.30 -0.12 -1.14 -2.38 117.98 120.80 1x65 s PHE 53 Ca -0.05 -0.68 -0.18 0.00 -0.05 0.00 0.00 56.93 55.98 1x65 s PHE 53 Cb -0.15 -0.44 -0.15 0.00 -0.63 0.00 0.00 43.02 41.65 1x65 s PHE 53 CO 0.03 -0.12 0.59 1.15 -0.05 0.00 0.00 175.22 176.82 1x65 h THR 54 N 3.87 0.94 -3.47 -4.49 2.02 -1.79 -2.72 112.91 107.28 1x65 h THR 54 Ca -0.35 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1x65 h THR 54 Cb 1.19 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1x65 h THR 54 CO 0.51 0.29 -0.81 0.52 0.37 0.00 0.00 175.52 176.40 1x65 n VAL 55 N -4.77 -5.02 -3.54 3.16 0.31 -1.25 -4.52 118.33 102.70 1x65 n VAL 55 Ca -0.06 2.24 -0.17 0.00 -0.01 0.00 0.00 64.34 66.33 1x65 n VAL 55 Cb 0.27 -3.08 -0.06 0.00 -0.91 0.00 0.00 33.84 30.06 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 -1.90 0.00 -0.46 2.52 -7.23 -1.26 -4.82 120.40 107.25 1x65 s VAL 56 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 1x65 s VAL 56 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1x65 s VAL 56 CO 0.00 0.00 1.77 -2.16 -0.31 0.00 0.00 175.10 174.40 1x65 s PRO 57 N -0.98 3.06 0.21 4.82 0.04 -1.26 -4.15 135.00 136.74 1x65 s PRO 57 Ca -0.09 1.01 0.03 0.00 0.04 0.00 0.00 61.00 61.98 1x65 s PRO 57 Cb -0.01 -4.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 1x65 s PRO 57 CO 0.09 -2.19 0.00 -0.51 0.04 0.00 0.00 177.00 174.43 1x65 s ASP 58 N 6.64 1.54 -0.32 6.66 1.11 -1.26 -5.04 116.67 126.00 1x65 s ASP 58 Ca 0.72 -1.21 -0.00 0.00 0.18 0.00 0.00 52.55 52.23 1x65 s ASP 58 Cb -0.17 0.06 0.25 0.00 1.07 0.00 0.00 42.92 44.13 1x65 s ASP 58 CO 0.28 -0.55 1.91 0.23 1.18 0.00 0.00 175.17 178.22 1x65 n MET 59 N -0.35 1.81 -0.11 8.23 2.81 -1.26 -4.24 117.12 124.01 1x65 n MET 59 Ca -0.05 -1.63 -0.20 0.00 -1.81 0.00 0.00 57.70 54.00 1x65 n MET 59 Cb 0.64 -1.64 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1x65 n LEU 60 N 0.16 1.92 -2.11 4.03 4.77 -1.26 -4.48 117.00 120.03 1x65 n LEU 60 Ca 0.32 0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 56.43 1x65 n LEU 60 Cb 0.68 -0.83 0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1x65 n LEU 60 CO 0.39 0.18 1.27 -1.20 -1.33 0.00 0.00 177.39 176.69 1x65 n SER 61 N -4.38 5.44 0.00 -1.43 7.64 -1.26 -4.93 113.62 114.70 1x65 n SER 61 Ca -0.35 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1x65 n SER 61 Cb 0.68 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x65 n ALA 62 N -0.70 0.00 0.00 -0.43 0.00 -1.26 -3.06 120.51 115.05 1x65 n ALA 62 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1x65 n ALA 62 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 1x65 n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x65 n GLN 63 N 0.00 0.00 -0.18 0.00 7.27 -1.26 -4.77 117.38 118.43 1x65 n GLN 63 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1x65 n GLN 63 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 1x65 n GLN 63 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1x65 n ARG 64 N 0.00 0.99 -1.39 3.69 1.74 -1.17 -5.09 116.66 115.43 1x65 n ARG 64 Ca 0.00 -2.02 0.17 0.00 -0.77 0.00 0.00 57.85 55.22 1x65 n ARG 64 Cb 0.00 -1.17 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 1x65 n ARG 64 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1x65 n ASN 65 N -0.95 -7.57 -3.67 0.55 3.02 -1.26 -4.97 115.26 100.41 1x65 n ASN 65 Ca 0.10 1.22 -0.14 0.00 -0.03 0.00 0.00 54.58 55.72 1x65 n ASN 65 Cb 0.63 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 35.06 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 -3.99 1.19 -0.09 3.10 -3.43 -1.26 -4.83 115.29 105.97 1x65 s HIS 66 Ca 0.00 -1.34 0.01 0.00 -0.80 0.00 0.00 55.06 52.93 1x65 s HIS 66 Cb 0.00 -0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 30.76 1x65 s HIS 66 CO 0.00 -0.89 -0.11 0.00 -2.00 0.00 0.00 174.74 171.74 1x65 s ALA 67 N -3.64 2.75 0.15 -1.38 0.00 -1.26 -3.92 121.76 114.47 1x65 s ALA 67 Ca 0.35 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.48 1x65 s ALA 67 Cb 0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1x65 s ALA 67 CO 0.18 0.42 -0.19 0.96 0.00 0.00 0.00 175.76 177.13 1x65 s ILE 68 N -0.28 1.84 -0.73 0.00 -4.36 -1.26 -4.85 121.20 111.57 1x65 s ILE 68 Ca 0.03 -1.85 -0.03 0.00 -0.26 0.00 0.00 60.65 58.54 1x65 s ILE 68 Cb -0.13 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1x65 s ILE 68 CO 0.03 -0.24 0.51 0.54 0.24 0.00 0.00 174.94 176.02 1x65 n ARG 69 N 0.46 -1.22 -2.02 0.37 5.12 -1.26 -4.11 116.66 113.99 1x65 n ARG 69 Ca -0.14 0.56 -0.43 0.00 -1.93 0.00 0.00 57.85 55.91 1x65 n ARG 69 Cb 0.56 -1.87 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 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 -2.92 3.51 -0.39 0.55 1.01 0.06 -4.73 121.20 118.28 1x65 s ILE 70 Ca 0.04 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.09 1x65 s ILE 70 Cb -0.02 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1x65 s ILE 70 CO 0.77 -0.43 0.24 -0.75 0.00 0.00 0.00 174.94 174.77 1x65 s LYS 71 N 5.57 2.80 -0.34 2.79 2.20 -1.00 -4.18 119.74 127.57 1x65 s LYS 71 Ca 0.79 -1.17 -0.28 0.00 -0.36 0.00 0.00 55.97 54.94 1x65 s LYS 71 Cb -0.22 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 1x65 s LYS 71 CO 0.34 -0.78 1.89 0.21 -0.36 0.00 0.00 175.35 176.64 1x65 s LYS 72 N 1.54 3.22 0.37 4.03 2.20 -1.26 -1.27 119.74 128.57 1x65 s LYS 72 Ca 0.02 1.47 -0.26 0.00 -0.36 0.00 0.00 55.97 56.84 1x65 s LYS 72 Cb -0.20 -4.25 -0.09 0.00 -1.51 0.00 0.00 37.83 31.78 1x65 s LYS 72 CO 0.06 -2.00 1.11 -0.51 -0.36 0.00 0.00 175.35 173.65 1x65 s LEU 73 N 7.42 4.26 0.49 5.43 1.43 0.22 -4.97 118.68 132.97 1x65 s LEU 73 Ca 0.83 2.21 -0.21 0.00 -1.03 0.00 0.00 54.13 55.93 1x65 s LEU 73 Cb -0.23 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 1x65 s LEU 73 CO 0.33 -0.48 1.15 -2.16 0.23 0.00 0.00 176.35 175.42 1x65 s PRO 74 N -2.17 3.59 0.25 1.29 0.04 -1.26 -4.48 135.00 132.27 1x65 s PRO 74 Ca 0.54 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1x65 s PRO 74 Cb -0.28 -2.24 -0.15 0.00 0.04 0.00 0.00 34.50 31.88 1x65 s PRO 74 CO 0.35 -0.68 0.97 1.17 0.04 0.00 0.00 177.00 178.85 1x65 n LYS 75 N -0.83 1.12 -0.98 4.56 4.81 -1.26 -3.95 118.16 121.62 1x65 n LYS 75 Ca 0.09 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1x65 n LYS 75 Cb 0.49 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.81 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 1.48 0.81 2.01 3.14 0.00 -1.26 -5.03 105.19 106.34 1x65 n GLY 76 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1x65 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x65 n THR 77 N -0.94 0.00 -4.31 2.61 -1.04 -1.25 -5.13 114.28 104.22 1x65 n THR 77 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1x65 n THR 77 Cb 0.33 -0.29 -0.10 0.00 -1.82 0.00 0.00 70.33 68.44 1x65 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x65 s VAL 78 N -2.00 3.26 -0.22 12.58 1.01 -1.26 -5.12 120.40 128.64 1x65 s VAL 78 Ca 0.00 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.45 1x65 s VAL 78 Cb 0.00 -2.49 0.14 0.00 0.00 0.00 0.00 36.38 34.03 1x65 s VAL 78 CO 0.00 0.16 1.11 -0.55 0.00 0.00 0.00 175.10 175.82 1x65 s SER 79 N -2.04 -0.30 0.00 3.32 0.15 -1.26 -5.06 113.70 108.51 1x65 s SER 79 Ca 0.20 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1x65 s SER 79 Cb -0.11 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1x65 s SER 79 CO 0.12 -0.22 0.00 2.22 1.20 0.00 0.00 173.24 176.56 1x65 n PHE 80 N 1.08 -1.16 -2.77 3.44 -1.74 -1.26 -5.09 117.46 109.97 1x65 n PHE 80 Ca -0.09 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.37 1x65 n PHE 80 Cb 0.58 0.23 -0.04 0.00 1.52 0.00 0.00 39.48 41.77 1x65 n PHE 80 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 1x65 s HIS 81 N -1.92 2.95 0.01 2.97 5.04 -1.26 -4.98 115.29 118.09 1x65 s HIS 81 Ca 0.00 0.57 -0.37 0.00 -1.54 0.00 0.00 55.06 53.72 1x65 s HIS 81 Cb 0.00 -3.97 -0.16 0.00 0.04 0.00 0.00 32.58 28.49 1x65 s HIS 81 CO 0.00 -1.05 1.47 0.45 -2.34 0.00 0.00 174.74 173.27 1x65 n SER 82 N 7.19 2.02 -4.76 9.88 2.88 -1.26 -4.88 113.62 124.69 1x65 n SER 82 Ca 0.08 1.10 -0.41 0.00 -1.33 0.00 0.00 58.87 58.31 1x65 n SER 82 Cb 0.48 -1.21 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 1x65 n SER 82 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1x65 s HIS 83 N 1.32 2.98 -0.29 0.66 3.76 -1.26 -4.95 115.29 117.51 1x65 s HIS 83 Ca 0.87 1.28 0.19 0.00 -0.15 0.00 0.00 55.06 57.25 1x65 s HIS 83 Cb -0.94 -3.76 0.48 0.00 1.11 0.00 0.00 32.58 29.47 1x65 s HIS 83 CO 0.50 -2.23 1.06 0.45 -0.85 0.00 0.00 174.74 173.67 1x65 n SER 84 N 1.17 1.92 -3.52 1.40 2.88 -1.26 -4.99 113.62 111.23 1x65 n SER 84 Ca 0.02 -2.47 -0.28 0.00 -1.33 0.00 0.00 58.87 54.81 1x65 n SER 84 Cb 0.41 -0.49 -0.11 0.00 -0.75 0.00 0.00 64.21 63.27 1x65 n SER 84 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x65 s GLY 85 N -3.54 1.43 0.47 0.46 0.00 -1.26 -5.13 107.32 99.75 1x65 s GLY 85 Ca 0.30 -2.54 -0.08 0.00 0.00 0.00 0.00 44.72 42.40 1x65 s GLY 85 CO -0.01 1.90 0.41 -1.55 0.00 0.00 0.00 173.10 173.85 1x65 n PRO 86 N 3.07 -1.83 -4.13 2.90 -0.04 -1.26 -5.04 135.00 128.66 1x65 n PRO 86 Ca 0.22 -0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 62.67 1x65 n PRO 86 Cb 0.42 -0.62 -0.11 0.00 -0.04 0.00 0.00 33.50 33.15 1x65 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x65 s SER 87 N -2.62 5.13 -0.02 3.54 0.15 -1.26 -4.96 113.70 113.65 1x65 s SER 87 Ca 0.27 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 1x65 s SER 87 Cb -0.03 -1.87 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1x65 s SER 87 CO 0.21 0.13 -0.02 -0.24 1.20 0.00 0.00 173.24 174.51 1x65 n SER 88 N 3.82 1.76 0.00 5.45 2.88 -1.26 -5.35 113.62 120.92 1x65 n SER 88 Ca -0.17 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1x65 n SER 88 Cb 0.52 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42