#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 1.82 -4.60 1.61 7.64 -1.26 -5.03 113.62 113.81 1x65 n SER 2 Ca 0.00 0.31 -0.28 0.00 1.01 0.00 0.00 58.87 59.91 1x65 n SER 2 Cb 0.00 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.39 1x65 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x65 s SER 3 N -6.50 4.44 -0.24 6.43 0.01 -1.26 -5.11 113.70 111.48 1x65 s SER 3 Ca -0.30 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.31 1x65 s SER 3 Cb 0.08 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 1x65 s SER 3 CO 0.41 0.12 0.51 -0.83 0.41 0.00 0.00 173.24 173.86 1x65 s GLY 4 N -2.66 1.92 -0.25 3.44 0.00 -1.26 -5.05 107.32 103.47 1x65 s GLY 4 Ca 0.24 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 1x65 s GLY 4 CO 0.16 1.16 -0.08 -0.45 0.00 0.00 0.00 173.10 173.89 1x65 s SER 5 N 1.41 4.24 0.17 1.64 0.15 -1.26 -5.11 113.70 114.94 1x65 s SER 5 Ca 0.22 -0.97 0.08 0.00 0.70 0.00 0.00 55.95 55.98 1x65 s SER 5 Cb -0.15 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1x65 s SER 5 CO 0.09 -0.13 -0.17 -0.94 1.20 0.00 0.00 173.24 173.29 1x65 s SER 6 N 1.28 2.60 0.00 5.45 1.04 -1.26 -4.96 113.70 117.84 1x65 s SER 6 Ca -0.01 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1x65 s SER 6 Cb -0.17 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1x65 s SER 6 CO -0.05 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x65 n GLY 7 N 0.20 0.15 3.45 7.32 0.00 -1.26 -5.08 105.19 109.98 1x65 n GLY 7 Ca -0.12 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.67 2.55 0.08 1.61 1.70 -1.26 -4.70 118.95 117.26 1x65 s ARG 8 Ca 0.00 -0.72 0.05 0.00 -0.47 0.00 0.00 55.73 54.60 1x65 s ARG 8 Cb 0.00 -2.37 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 1x65 s ARG 8 CO 0.00 0.58 -0.05 -1.21 -1.08 0.00 0.00 175.30 173.53 1x65 s GLU 9 N -0.61 2.38 0.16 3.89 2.02 -0.93 -4.93 118.70 120.69 1x65 s GLU 9 Ca 0.09 -0.89 0.08 0.00 0.02 0.00 0.00 54.97 54.27 1x65 s GLU 9 Cb -0.11 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 1x65 s GLU 9 CO 0.01 0.54 -0.08 -1.64 0.02 0.00 0.00 175.26 174.11 1x65 s MET 10 N -2.09 2.12 0.14 1.61 -1.94 -1.26 -3.01 119.30 114.87 1x65 s MET 10 Ca 0.22 -1.18 -0.24 0.00 -1.71 0.00 0.00 55.69 52.78 1x65 s MET 10 Cb -0.11 -2.22 0.07 0.00 2.01 0.00 0.00 34.83 34.57 1x65 s MET 10 CO 0.14 0.46 0.75 0.20 -0.01 0.00 0.00 175.02 176.56 1x65 s GLY 11 N -2.69 -0.41 -0.09 -0.03 0.00 -1.21 -3.54 107.32 99.35 1x65 s GLY 11 Ca 0.24 0.41 -0.08 0.00 0.00 0.00 0.00 44.72 45.29 1x65 s GLY 11 CO 0.15 0.13 0.18 -1.34 0.00 0.00 0.00 173.10 172.23 1x65 s VAL 12 N -3.55 5.43 -0.01 1.40 -7.23 -0.52 -2.87 120.40 113.05 1x65 s VAL 12 Ca 0.06 0.28 -0.30 0.00 -1.81 0.00 0.00 61.98 60.21 1x65 s VAL 12 Cb -0.02 -3.45 -0.06 0.00 0.56 0.00 0.00 36.38 33.41 1x65 s VAL 12 CO -0.06 0.59 1.48 -0.63 -0.31 0.00 0.00 175.10 176.18 1x65 s ILE 13 N -1.06 3.62 -0.21 -0.62 -1.09 -1.23 0.12 121.20 120.73 1x65 s ILE 13 Ca 0.17 0.96 0.22 0.00 -2.23 0.00 0.00 60.65 59.77 1x65 s ILE 13 Cb -0.13 -3.62 -0.31 0.00 -1.58 0.00 0.00 42.46 36.83 1x65 s ILE 13 CO 0.06 -0.02 0.57 0.00 -1.23 0.00 0.00 174.94 174.32 1x65 n ALA 14 N 5.82 3.16 -3.53 9.38 0.00 -0.36 -1.87 120.51 133.10 1x65 n ALA 14 Ca 0.14 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.89 1x65 n ALA 14 Cb 0.43 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.42 -1.79 -0.27 0.00 0.00 -1.24 -4.92 121.76 110.11 1x65 s ALA 15 Ca -0.05 1.36 0.19 0.00 0.00 0.00 0.00 51.96 53.47 1x65 s ALA 15 Cb 0.14 -0.10 0.50 0.00 0.00 0.00 0.00 23.12 23.65 1x65 s ALA 15 CO 0.90 -0.36 1.11 -1.33 0.00 0.00 0.00 175.76 176.08 1x65 n MET 16 N 0.93 2.05 -1.08 0.00 0.00 -1.26 -0.51 117.12 117.25 1x65 n MET 16 Ca -0.18 -3.62 -0.34 0.00 0.00 0.00 0.00 57.70 53.56 1x65 n MET 16 Cb 0.57 -1.71 0.01 0.00 0.00 0.00 0.00 33.22 32.09 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 -0.57 0.00 -1.62 0.03 5.12 -0.01 -4.57 116.66 115.04 1x65 n ARG 17 Ca 0.14 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.91 1x65 n ARG 17 Cb 0.83 -0.88 -0.07 0.00 -1.16 0.00 0.00 32.46 31.19 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 -0.88 4.02 0.00 0.55 1.47 -1.26 -1.00 116.67 119.58 1x65 s ASP 18 Ca 0.49 -0.02 0.00 0.00 1.18 0.00 0.00 52.55 54.21 1x65 s ASP 18 Cb -0.42 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.61 1x65 s ASP 18 CO 0.59 -3.76 0.00 0.61 0.68 0.00 0.00 175.17 173.29 1x65 n GLY 19 N 6.81 1.15 0.00 2.12 0.00 -1.26 -5.09 105.19 108.92 1x65 n GLY 19 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.42 -2.01 1.61 1.16 -0.17 -3.97 117.46 113.66 1x65 n PHE 20 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1x65 n PHE 20 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1x65 n GLY 21 N 0.00 1.61 3.39 4.97 0.00 -1.25 -0.83 105.19 113.09 1x65 n GLY 21 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.42 -0.45 -0.32 1.61 0.08 0.34 -4.21 117.98 113.60 1x65 s PHE 22 Ca 0.00 0.79 0.00 0.00 0.12 0.00 0.00 56.93 57.84 1x65 s PHE 22 Cb 0.00 0.26 0.10 0.00 -0.57 0.00 0.00 43.02 42.81 1x65 s PHE 22 CO 0.00 -0.49 0.10 0.42 -0.10 0.00 0.00 175.22 175.15 1x65 s ILE 23 N -1.12 1.13 -0.33 0.64 1.01 -1.26 -1.22 121.20 120.06 1x65 s ILE 23 Ca -0.11 -1.63 -0.29 0.00 0.00 0.00 0.00 60.65 58.62 1x65 s ILE 23 Cb -0.03 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1x65 s ILE 23 CO 0.07 -0.68 1.60 -0.75 0.00 0.00 0.00 174.94 175.18 1x65 s LYS 24 N 1.41 3.56 0.72 2.79 2.20 0.12 -2.73 119.74 127.81 1x65 s LYS 24 Ca 0.11 1.32 -0.14 0.00 -0.36 0.00 0.00 55.97 56.89 1x65 s LYS 24 Cb -0.18 -4.08 0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1x65 s LYS 24 CO -0.21 -1.58 1.15 0.00 -0.36 0.00 0.00 175.35 174.35 1x65 h VAL 26 N -0.34 1.68 0.05 0.00 -1.51 -1.94 -3.36 116.25 110.83 1x65 h VAL 26 Ca -0.47 -3.33 -0.38 0.00 -1.23 0.00 0.00 66.70 61.29 1x65 h VAL 26 Cb 1.27 2.81 -0.05 0.00 -2.13 0.00 0.00 31.29 33.19 1x65 h VAL 26 CO 0.51 0.95 -2.24 -0.67 -1.23 0.00 0.00 177.57 174.89 1x65 n ASP 27 N -3.36 2.03 -4.88 4.19 2.03 -1.26 -4.95 116.55 110.35 1x65 n ASP 27 Ca 0.00 0.06 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 1x65 n ASP 27 Cb 0.92 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.62 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x65 s ARG 28 N -2.53 3.76 -0.64 -0.67 1.81 -1.26 -5.00 118.95 114.42 1x65 s ARG 28 Ca -0.30 0.18 -0.01 0.00 -1.72 0.00 0.00 55.73 53.88 1x65 s ARG 28 Cb 0.08 -2.74 0.45 0.00 -0.45 0.00 0.00 34.95 32.30 1x65 s ARG 28 CO 0.66 0.38 1.99 -0.25 -0.68 0.00 0.00 175.30 177.40 1x65 n ASP 29 N 0.04 7.50 -3.92 0.23 8.00 -1.26 -3.82 116.55 123.33 1x65 n ASP 29 Ca -0.01 -3.79 -0.10 0.00 0.71 0.00 0.00 54.79 51.60 1x65 n ASP 29 Cb 0.52 -0.94 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1x65 s VAL 30 N -4.80 0.07 0.71 2.53 -7.23 -1.26 -5.04 120.40 105.38 1x65 s VAL 30 Ca 0.64 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 60.14 1x65 s VAL 30 Cb 0.50 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 37.23 1x65 s VAL 30 CO -0.01 -0.31 1.07 -0.13 -0.31 0.00 0.00 175.10 175.42 1x65 s ARG 31 N -0.94 2.84 -0.57 4.82 0.52 -1.26 -3.66 118.95 120.70 1x65 s ARG 31 Ca -0.10 0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.83 1x65 s ARG 31 Cb -0.06 -2.00 0.14 0.00 0.52 0.00 0.00 34.95 33.55 1x65 s ARG 31 CO -0.00 -1.10 0.33 1.41 0.02 0.00 0.00 175.30 175.96 1x65 s MET 32 N -5.20 2.03 -0.34 3.54 -2.45 -1.10 -4.84 119.30 110.94 1x65 s MET 32 Ca 0.58 -2.77 -0.44 0.00 -1.25 0.00 0.00 55.69 51.80 1x65 s MET 32 Cb -0.13 -3.21 -0.19 0.00 1.25 0.00 0.00 34.83 32.55 1x65 s MET 32 CO 0.54 -1.18 1.49 0.34 1.05 0.00 0.00 175.02 177.26 1x65 n PHE 33 N 2.79 1.53 -4.31 4.11 7.35 -1.26 -4.10 117.46 123.58 1x65 n PHE 33 Ca 0.10 1.04 -0.17 0.00 -0.76 0.00 0.00 57.45 57.67 1x65 n PHE 33 Cb 0.34 -2.23 -0.10 0.00 0.35 0.00 0.00 39.48 37.84 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 2.29 1.51 0.18 -5.13 -0.12 -1.26 -4.40 117.98 111.06 1x65 s PHE 34 Ca 1.00 -0.71 0.07 0.00 -0.05 0.00 0.00 56.93 57.24 1x65 s PHE 34 Cb -1.38 -0.77 -0.04 0.00 -0.63 0.00 0.00 43.02 40.21 1x65 s PHE 34 CO 0.73 0.17 0.01 -1.01 -0.05 0.00 0.00 175.22 175.08 1x65 s HIS 35 N -3.20 2.86 -0.03 3.49 3.76 -1.26 -3.91 115.29 117.01 1x65 s HIS 35 Ca 0.21 -0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1x65 s HIS 35 Cb 0.02 -1.37 -0.05 0.00 1.11 0.00 0.00 32.58 32.28 1x65 s HIS 35 CO 0.05 0.52 2.43 1.19 -0.85 0.00 0.00 174.74 178.08 1x65 n PHE 36 N -0.21 0.12 0.00 1.40 3.72 -1.25 -3.30 117.46 117.94 1x65 n PHE 36 Ca -0.09 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.11 1x65 n PHE 36 Cb 0.55 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x65 n SER 37 N 1.67 3.68 0.07 4.37 7.64 -1.26 -4.70 113.62 125.09 1x65 n SER 37 Ca 0.14 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1x65 n SER 37 Cb 0.61 0.53 0.23 0.00 -1.01 0.00 0.00 64.21 64.57 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 -1.39 0.28 0.00 1.43 -0.58 -1.21 -3.61 120.64 115.57 1x65 n GLU 38 Ca 0.00 0.12 0.09 0.00 -0.42 0.00 0.00 57.16 56.95 1x65 n GLU 38 Cb 0.21 -1.71 0.55 0.00 -0.57 0.00 0.00 31.44 29.91 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 -2.14 0.00 0.26 -3.67 5.41 -1.26 0.28 119.36 118.23 1x65 n ILE 39 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.91 1x65 n ILE 39 Cb 0.44 -0.68 0.63 0.00 -0.71 0.00 0.00 39.64 39.32 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 -1.21 1.39 8.10 -1.81 -2.12 115.31 119.66 1x65 h LEU 40 Ca 0.00 0.00 0.36 0.00 0.11 0.00 0.00 57.88 58.35 1x65 h LEU 40 Cb 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 40.09 1x65 h LEU 40 CO 0.00 0.00 0.69 -0.78 -4.11 0.00 0.00 178.44 174.24 1x65 h ASP 41 N 0.00 0.39 0.00 0.17 1.82 -1.68 -3.45 116.42 113.67 1x65 h ASP 41 Ca 0.00 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1x65 h ASP 41 Cb 0.62 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.75 1x65 h ASP 41 CO 0.00 -0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.10 1x65 n GLY 42 N -1.40 0.90 0.00 -0.78 0.00 -0.79 -5.05 105.19 98.06 1x65 n GLY 42 Ca 0.33 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.57 1.61 3.02 -1.26 -4.83 115.26 109.23 1x65 n ASN 43 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1x65 n ASN 43 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.00 3.47 1.05 3.52 0.74 -1.26 -4.89 119.66 122.28 1x65 s GLN 44 Ca 0.00 -1.39 -0.23 0.00 0.05 0.00 0.00 55.36 53.80 1x65 s GLN 44 Cb 0.00 -5.38 -0.06 0.00 1.10 0.00 0.00 33.01 28.67 1x65 s GLN 44 CO 0.00 -2.63 -0.79 1.28 -0.55 0.00 0.00 175.29 172.60 1x65 n LEU 45 N 10.11 -2.83 -3.73 3.68 4.77 -1.26 -5.03 117.00 122.71 1x65 n LEU 45 Ca 0.42 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1x65 n LEU 45 Cb 0.48 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1x65 n LEU 45 CO 0.70 -3.07 0.57 -1.00 -1.33 0.00 0.00 177.39 173.26 1x65 s HIS 46 N -2.11 -0.23 -0.28 -1.77 3.76 -1.26 -5.08 115.29 108.31 1x65 s HIS 46 Ca 0.45 -0.11 -0.36 0.00 -0.15 0.00 0.00 55.06 54.90 1x65 s HIS 46 Cb -0.02 0.65 -0.12 0.00 1.11 0.00 0.00 32.58 34.20 1x65 s HIS 46 CO 0.67 -0.97 2.05 -0.89 -0.85 0.00 0.00 174.74 174.76 1x65 n ILE 47 N -0.43 0.29 -1.95 0.60 2.08 -1.26 -1.86 119.36 116.82 1x65 n ILE 47 Ca -0.07 -0.20 -0.01 0.00 0.56 0.00 0.00 62.75 63.03 1x65 n ILE 47 Cb 0.61 -1.63 0.01 0.00 -0.75 0.00 0.00 39.64 37.88 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 8.45 -0.37 -4.07 -1.39 0.00 -0.78 -4.97 120.51 117.38 1x65 n ALA 48 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 1x65 n ALA 48 Cb 0.23 -0.79 -0.16 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.09 3.00 0.34 0.00 1.11 -0.78 -4.83 116.67 112.43 1x65 s ASP 49 Ca 0.02 -0.62 -0.29 0.00 0.18 0.00 0.00 52.55 51.84 1x65 s ASP 49 Cb -0.00 -1.34 -0.11 0.00 1.07 0.00 0.00 42.92 42.54 1x65 s ASP 49 CO 0.07 -0.04 1.40 -1.61 1.18 0.00 0.00 175.17 176.17 1x65 s GLU 50 N 1.37 4.24 0.06 8.23 2.02 -1.26 -3.52 118.70 129.84 1x65 s GLU 50 Ca 0.04 2.38 -0.05 0.00 0.02 0.00 0.00 54.97 57.37 1x65 s GLU 50 Cb -0.13 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 1x65 s GLU 50 CO -0.11 -0.37 0.08 0.14 0.02 0.00 0.00 175.26 175.02 1x65 s VAL 51 N -0.99 0.17 -0.08 2.63 -7.23 -1.14 -1.31 120.40 112.44 1x65 s VAL 51 Ca 0.52 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 1x65 s VAL 51 Cb -0.43 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 1x65 s VAL 51 CO 0.56 -0.75 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.67 1x65 s GLU 52 N -3.44 2.78 -0.05 4.82 2.12 0.09 -3.31 118.70 121.71 1x65 s GLU 52 Ca 0.02 -0.84 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 1x65 s GLU 52 Cb 0.04 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.27 1x65 s GLU 52 CO -0.08 0.23 0.19 -0.59 -0.54 0.00 0.00 175.26 174.46 1x65 s PHE 53 N 0.22 -0.13 0.03 5.30 -0.12 -1.17 -2.54 117.98 119.57 1x65 s PHE 53 Ca -0.14 0.30 -0.19 0.00 -0.05 0.00 0.00 56.93 56.84 1x65 s PHE 53 Cb -0.16 0.04 -0.18 0.00 -0.63 0.00 0.00 43.02 42.08 1x65 s PHE 53 CO 0.07 -0.18 1.22 1.15 -0.05 0.00 0.00 175.22 177.43 1x65 h THR 54 N 4.58 1.39 -3.97 -4.49 2.02 -1.84 -2.47 112.91 108.13 1x65 h THR 54 Ca -0.27 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1x65 h THR 54 Cb 1.19 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1x65 h THR 54 CO 0.39 0.51 -1.00 0.52 0.37 0.00 0.00 175.52 176.31 1x65 n VAL 55 N -4.35 -4.65 -3.59 3.16 0.31 -1.26 -4.63 118.33 103.33 1x65 n VAL 55 Ca -0.08 2.18 -0.14 0.00 -0.01 0.00 0.00 64.34 66.29 1x65 n VAL 55 Cb 0.53 -3.18 -0.06 0.00 -0.91 0.00 0.00 33.84 30.22 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 -4.33 0.00 -2.00 2.52 -7.23 -1.23 -5.00 120.40 103.13 1x65 s VAL 56 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 60.29 1x65 s VAL 56 Cb 0.00 -1.00 0.33 0.00 0.56 0.00 0.00 36.38 36.27 1x65 s VAL 56 CO 0.00 0.00 1.13 -0.81 -0.31 0.00 0.00 175.10 175.11 1x65 n PRO 57 N 1.82 0.49 -0.70 4.82 -0.04 -1.26 -3.66 135.00 136.47 1x65 n PRO 57 Ca -0.15 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1x65 n PRO 57 Cb 0.56 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1x65 n PRO 57 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x65 n ASP 58 N -0.87 -4.18 -0.03 3.54 9.92 -1.26 -1.91 116.55 121.75 1x65 n ASP 58 Ca 0.09 0.53 -0.08 0.00 -0.53 0.00 0.00 54.79 54.80 1x65 n ASP 58 Cb 0.04 -2.30 -0.03 0.00 -0.64 0.00 0.00 41.12 38.19 1x65 n ASP 58 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1x65 n MET 59 N -3.35 0.16 0.34 -1.24 2.81 -1.26 -4.27 117.12 110.31 1x65 n MET 59 Ca -0.02 0.07 -0.15 0.00 -1.81 0.00 0.00 57.70 55.78 1x65 n MET 59 Cb 0.33 -0.78 -0.08 0.00 -0.71 0.00 0.00 33.22 31.99 1x65 n MET 59 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1x65 h LEU 60 N -0.28 -0.74 0.00 4.03 3.38 -1.97 -2.84 115.31 116.88 1x65 h LEU 60 Ca -0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x65 h LEU 60 Cb 1.09 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1x65 h LEU 60 CO -0.11 -0.39 0.00 -1.20 0.09 0.00 0.00 178.44 176.83 1x65 n SER 61 N -5.39 0.00 -2.91 -0.43 7.64 -1.26 -4.84 113.62 106.44 1x65 n SER 61 Ca -0.12 0.32 -0.16 0.00 1.01 0.00 0.00 58.87 59.92 1x65 n SER 61 Cb 0.37 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.42 -0.84 -3.75 -0.43 0.00 -1.08 -4.74 120.51 108.25 1x65 n ALA 62 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1x65 n ALA 62 Cb 0.16 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 1x65 n ALA 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1x65 s GLN 63 N -4.78 0.87 0.55 0.00 0.74 -0.80 -5.01 119.66 111.23 1x65 s GLN 63 Ca 0.31 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1x65 s GLN 63 Cb -0.18 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1x65 s GLN 63 CO 0.38 -0.40 0.00 -2.13 -0.55 0.00 0.00 175.29 172.59 1x65 n ARG 64 N -0.56 -4.61 -4.42 1.67 0.63 -1.26 -4.50 116.66 103.61 1x65 n ARG 64 Ca -0.06 3.46 -0.29 0.00 -0.92 0.00 0.00 57.85 60.04 1x65 n ARG 64 Cb 0.61 -3.97 -0.17 0.00 0.45 0.00 0.00 32.46 29.39 1x65 n ARG 64 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1x65 s ASN 65 N -3.83 2.57 0.10 6.15 0.01 -1.26 -4.09 114.94 114.59 1x65 s ASN 65 Ca 0.00 -0.46 0.10 0.00 -0.71 0.00 0.00 52.86 51.79 1x65 s ASN 65 Cb 0.00 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.47 1x65 s ASN 65 CO 0.00 0.01 -0.25 -1.38 -1.51 0.00 0.00 177.10 173.97 1x65 s HIS 66 N 1.04 2.36 -0.36 2.20 -3.43 -1.24 -4.78 115.29 111.09 1x65 s HIS 66 Ca -0.05 -0.36 -0.23 0.00 -0.80 0.00 0.00 55.06 53.62 1x65 s HIS 66 Cb -0.15 -1.32 0.01 0.00 -1.43 0.00 0.00 32.58 29.69 1x65 s HIS 66 CO -0.03 0.28 0.77 0.00 -2.00 0.00 0.00 174.74 173.76 1x65 s ALA 67 N -0.99 3.44 0.35 -1.38 0.00 -1.26 -3.57 121.76 118.34 1x65 s ALA 67 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1x65 s ALA 67 Cb -0.10 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1x65 s ALA 67 CO 0.05 -1.45 0.55 0.96 0.00 0.00 0.00 175.76 175.87 1x65 s ILE 68 N 3.06 5.10 -0.30 0.00 -4.36 -1.26 -4.67 121.20 118.77 1x65 s ILE 68 Ca 0.31 -0.46 -0.27 0.00 -0.26 0.00 0.00 60.65 59.97 1x65 s ILE 68 Cb -0.13 -3.86 0.04 0.00 1.25 0.00 0.00 42.46 39.76 1x65 s ILE 68 CO 0.16 -0.56 0.45 0.54 0.24 0.00 0.00 174.94 175.77 1x65 n ARG 69 N -1.79 -1.30 -2.71 0.37 5.12 -1.26 -4.13 116.66 110.96 1x65 n ARG 69 Ca -0.05 0.99 -0.43 0.00 -1.93 0.00 0.00 57.85 56.44 1x65 n ARG 69 Cb 0.56 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.45 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 -1.03 4.62 -0.20 0.55 1.01 0.14 -4.63 121.20 121.66 1x65 s ILE 70 Ca 0.26 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.64 1x65 s ILE 70 Cb -0.03 -4.33 0.03 0.00 0.01 0.00 0.00 42.46 38.15 1x65 s ILE 70 CO 0.59 -0.34 -0.17 -0.75 0.00 0.00 0.00 174.94 174.27 1x65 s LYS 71 N 3.37 2.69 0.03 2.79 2.20 -1.05 -3.96 119.74 125.82 1x65 s LYS 71 Ca 0.42 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 1x65 s LYS 71 Cb -0.13 -2.64 -0.07 0.00 -1.51 0.00 0.00 37.83 33.48 1x65 s LYS 71 CO 0.12 -0.33 1.63 0.21 -0.36 0.00 0.00 175.35 176.62 1x65 s LYS 72 N 1.25 4.20 0.20 4.03 2.20 -1.26 -0.73 119.74 129.63 1x65 s LYS 72 Ca 0.01 2.26 -0.19 0.00 -0.36 0.00 0.00 55.97 57.69 1x65 s LYS 72 Cb -0.15 -3.70 -0.08 0.00 -1.51 0.00 0.00 37.83 32.39 1x65 s LYS 72 CO -0.10 -0.74 0.70 -0.51 -0.36 0.00 0.00 175.35 174.33 1x65 s LEU 73 N 2.96 4.37 0.98 5.43 1.43 -0.43 -4.92 118.68 128.51 1x65 s LEU 73 Ca 0.73 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1x65 s LEU 73 Cb -0.37 -3.49 0.18 0.00 0.03 0.00 0.00 46.19 42.54 1x65 s LEU 73 CO 0.31 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.89 1x65 s PRO 74 N -1.88 0.55 -0.25 1.29 0.04 -1.26 -4.59 135.00 128.90 1x65 s PRO 74 Ca 0.41 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 1x65 s PRO 74 Cb -0.17 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1x65 s PRO 74 CO 0.21 -2.66 1.30 0.21 0.04 0.00 0.00 177.00 176.10 1x65 s LYS 75 N -4.95 4.02 0.00 4.56 2.20 -1.26 -3.64 119.74 120.67 1x65 s LYS 75 Ca 0.65 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 1x65 s LYS 75 Cb -0.19 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1x65 s LYS 75 CO 0.58 -0.98 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1x65 n GLY 76 N 4.08 4.23 0.52 5.54 0.00 -1.26 -4.99 105.19 113.31 1x65 n GLY 76 Ca 0.15 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 0.04 -3.47 2.61 2.02 -1.95 -3.44 112.91 108.72 1x65 h THR 77 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 1x65 h THR 77 Cb 0.00 0.04 0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1x65 h THR 77 CO 0.00 0.00 0.08 -0.69 0.37 0.00 0.00 175.52 175.28 1x65 s VAL 78 N -5.99 4.71 0.00 3.16 1.01 -1.26 -5.09 120.40 116.94 1x65 s VAL 78 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1x65 s VAL 78 Cb 0.02 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1x65 s VAL 78 CO 0.60 -0.75 0.00 -1.20 0.00 0.00 0.00 175.10 173.75 1x65 n SER 79 N -2.25 0.00 -3.61 3.32 7.64 -1.26 -5.02 113.62 112.43 1x65 n SER 79 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.78 1x65 n SER 79 Cb 0.56 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 1x65 n SER 79 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x65 s PHE 80 N -0.16 -0.49 0.08 1.43 -0.71 -1.26 -5.15 117.98 111.73 1x65 s PHE 80 Ca 0.00 1.07 -0.30 0.00 -1.04 0.00 0.00 56.93 56.65 1x65 s PHE 80 Cb 0.00 0.38 -0.06 0.00 -1.21 0.00 0.00 43.02 42.14 1x65 s PHE 80 CO 0.00 -0.31 1.16 -1.01 -1.34 0.00 0.00 175.22 173.72 1x65 s HIS 81 N -0.30 3.49 0.13 3.49 3.76 -1.26 -5.04 115.29 119.56 1x65 s HIS 81 Ca 0.00 1.41 0.04 0.00 -0.15 0.00 0.00 55.06 56.36 1x65 s HIS 81 Cb -0.03 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.26 1x65 s HIS 81 CO -0.02 -1.02 -0.11 0.45 -0.85 0.00 0.00 174.74 173.20 1x65 s SER 82 N 0.77 1.69 0.48 1.40 0.15 -1.26 -5.16 113.70 111.77 1x65 s SER 82 Ca 0.56 -0.92 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 1x65 s SER 82 Cb -0.29 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1x65 s SER 82 CO 0.31 -0.29 0.75 -1.00 1.20 0.00 0.00 173.24 174.21 1x65 s HIS 83 N -2.89 3.41 0.17 3.44 3.76 -1.26 -5.11 115.29 116.82 1x65 s HIS 83 Ca 0.12 0.58 0.11 0.00 -0.15 0.00 0.00 55.06 55.72 1x65 s HIS 83 Cb -0.00 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1x65 s HIS 83 CO 0.01 -0.37 -0.24 -1.12 -0.85 0.00 0.00 174.74 172.17 1x65 s SER 84 N -4.17 3.47 -0.61 1.40 0.01 -1.26 -5.10 113.70 107.44 1x65 s SER 84 Ca 0.48 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1x65 s SER 84 Cb -0.10 -0.29 0.16 0.00 0.21 0.00 0.00 66.02 66.00 1x65 s SER 84 CO 0.42 0.14 0.40 -0.83 0.41 0.00 0.00 173.24 173.78 1x65 s GLY 85 N -2.51 2.57 -0.46 3.44 0.00 -1.26 -5.07 107.32 104.03 1x65 s GLY 85 Ca 0.19 -3.48 -0.28 0.00 0.00 0.00 0.00 44.72 41.15 1x65 s GLY 85 CO 0.09 1.19 1.77 2.56 0.00 0.00 0.00 173.10 178.71 1x65 s PRO 86 N -0.90 3.08 -0.31 2.90 0.04 -1.26 -4.85 135.00 133.70 1x65 s PRO 86 Ca 0.23 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 1x65 s PRO 86 Cb -0.11 -4.25 0.19 0.00 0.04 0.00 0.00 34.50 30.37 1x65 s PRO 86 CO -0.11 -2.18 1.11 -1.54 0.04 0.00 0.00 177.00 174.32 1x65 s SER 87 N 6.60 -0.19 0.13 6.66 1.04 -1.26 -5.14 113.70 121.55 1x65 s SER 87 Ca 0.72 -0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.90 1x65 s SER 87 Cb -0.17 0.66 -0.13 0.00 0.10 0.00 0.00 66.02 66.48 1x65 s SER 87 CO 0.28 -0.03 0.41 -1.20 0.98 0.00 0.00 173.24 173.69 1x65 n SER 88 N 4.30 -0.84 0.00 7.02 7.64 -1.26 -5.33 113.62 125.15 1x65 n SER 88 Ca 0.07 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1x65 n SER 88 Cb 0.61 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64