#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 -4.60 -4.54 1.61 7.64 -1.26 -4.98 113.62 107.49 1x65 n SER 2 Ca 0.00 -0.75 -0.27 0.00 1.01 0.00 0.00 58.87 58.86 1x65 n SER 2 Cb 0.00 -4.08 -0.10 0.00 -1.01 0.00 0.00 64.21 59.02 1x65 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x65 s SER 3 N -3.44 3.40 0.00 6.43 0.15 -1.26 -5.16 113.70 113.81 1x65 s SER 3 Ca 0.57 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1x65 s SER 3 Cb -0.28 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1x65 s SER 3 CO 0.81 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1x65 n GLY 4 N -0.96 1.49 3.49 9.45 0.00 -1.26 -4.90 105.19 112.51 1x65 n GLY 4 Ca -0.08 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x65 n SER 5 N 0.00 -5.55 -4.32 1.61 3.41 -1.26 -4.99 113.62 102.52 1x65 n SER 5 Ca 0.00 -0.12 -0.26 0.00 -0.26 0.00 0.00 58.87 58.23 1x65 n SER 5 Cb 0.00 -1.59 -0.09 0.00 -0.26 0.00 0.00 64.21 62.28 1x65 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x65 s SER 6 N -1.41 2.95 0.00 4.04 1.04 -1.26 -5.06 113.70 113.99 1x65 s SER 6 Ca 0.36 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1x65 s SER 6 Cb -0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x65 s SER 6 CO 0.81 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1x65 n GLY 7 N -0.92 -0.19 3.74 7.32 0.00 -1.26 -5.04 105.19 108.84 1x65 n GLY 7 Ca -0.07 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 4.76 0.06 1.61 1.81 -1.26 -3.15 118.95 122.78 1x65 s ARG 8 Ca 0.00 1.47 0.05 0.00 -1.72 0.00 0.00 55.73 55.53 1x65 s ARG 8 Cb 0.00 -3.34 -0.04 0.00 -0.45 0.00 0.00 34.95 31.13 1x65 s ARG 8 CO 0.00 0.33 -0.07 -1.21 -0.68 0.00 0.00 175.30 173.67 1x65 s GLU 9 N -0.47 2.40 0.20 3.54 0.41 0.78 -4.92 118.70 120.63 1x65 s GLU 9 Ca 0.45 -0.85 0.07 0.00 -0.41 0.00 0.00 54.97 54.22 1x65 s GLU 9 Cb -0.25 -2.44 -0.04 0.00 -1.78 0.00 0.00 34.13 29.63 1x65 s GLU 9 CO 0.31 0.56 0.08 -1.64 -0.49 0.00 0.00 175.26 174.07 1x65 s MET 10 N -1.87 2.64 -0.15 1.61 -1.94 -1.26 -2.55 119.30 115.78 1x65 s MET 10 Ca 0.20 -1.06 -0.34 0.00 -1.71 0.00 0.00 55.69 52.78 1x65 s MET 10 Cb -0.11 -2.46 0.14 0.00 2.01 0.00 0.00 34.83 34.40 1x65 s MET 10 CO 0.12 0.44 1.23 0.20 -0.01 0.00 0.00 175.02 177.00 1x65 s GLY 11 N -3.24 -0.32 -0.04 -0.03 0.00 -1.20 -3.40 107.32 99.10 1x65 s GLY 11 Ca 0.30 1.41 -0.07 0.00 0.00 0.00 0.00 44.72 46.35 1x65 s GLY 11 CO 0.21 0.44 0.24 -1.34 0.00 0.00 0.00 173.10 172.65 1x65 s VAL 12 N -2.41 5.35 -0.51 1.40 -7.23 -0.82 -2.22 120.40 113.96 1x65 s VAL 12 Ca 0.11 0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 60.23 1x65 s VAL 12 Cb 0.00 -3.53 0.01 0.00 0.56 0.00 0.00 36.38 33.42 1x65 s VAL 12 CO -0.04 0.47 1.50 -0.63 -0.31 0.00 0.00 175.10 176.09 1x65 s ILE 13 N -1.18 3.74 -0.07 -0.62 -1.09 -0.96 -1.48 121.20 119.54 1x65 s ILE 13 Ca 0.23 0.67 -0.21 0.00 -2.23 0.00 0.00 60.65 59.10 1x65 s ILE 13 Cb -0.13 -4.25 -0.30 0.00 -1.58 0.00 0.00 42.46 36.19 1x65 s ILE 13 CO 0.12 -0.97 0.82 0.00 -1.23 0.00 0.00 174.94 173.68 1x65 h ALA 14 N 11.54 -0.04 -2.98 9.38 0.00 -0.51 0.17 119.26 136.82 1x65 h ALA 14 Ca -0.28 -0.75 -0.63 0.00 0.00 0.00 0.00 54.91 53.25 1x65 h ALA 14 Cb 1.11 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.89 1x65 h ALA 14 CO 1.14 0.43 -0.81 0.00 0.00 0.00 0.00 179.25 180.01 1x65 s ALA 15 N -2.42 2.51 -0.34 0.00 0.00 -1.18 -4.82 121.76 115.50 1x65 s ALA 15 Ca -0.15 -1.67 0.15 0.00 0.00 0.00 0.00 51.96 50.30 1x65 s ALA 15 Cb 0.01 -0.30 0.44 0.00 0.00 0.00 0.00 23.12 23.27 1x65 s ALA 15 CO 0.81 0.38 1.15 -1.33 0.00 0.00 0.00 175.76 176.77 1x65 n MET 16 N 0.11 1.26 -0.48 0.00 0.00 -1.26 -3.01 117.12 113.74 1x65 n MET 16 Ca -0.11 -2.65 -0.25 0.00 0.00 0.00 0.00 57.70 54.68 1x65 n MET 16 Cb 0.57 -0.77 0.20 0.00 0.00 0.00 0.00 33.22 33.22 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 -0.44 -2.78 -0.77 0.03 5.12 -0.13 -4.77 116.66 112.92 1x65 n ARG 17 Ca 0.02 -0.81 -0.08 0.00 -1.93 0.00 0.00 57.85 55.05 1x65 n ARG 17 Cb 0.83 -1.69 -0.05 0.00 -1.16 0.00 0.00 32.46 30.39 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x65 n ASP 18 N -2.77 5.54 0.00 0.55 8.00 -1.26 -4.03 116.55 122.57 1x65 n ASP 18 Ca 0.06 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1x65 n ASP 18 Cb 0.49 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1x65 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x65 n GLY 19 N 1.61 -0.38 2.97 0.44 0.00 -1.26 -5.09 105.19 103.47 1x65 n GLY 19 Ca 0.20 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.40 -2.46 1.61 -1.74 -1.26 -1.76 117.46 111.45 1x65 n PHE 20 Ca 0.00 -2.49 0.00 0.00 -0.56 0.00 0.00 57.45 54.40 1x65 n PHE 20 Cb 0.00 0.16 0.00 0.00 1.52 0.00 0.00 39.48 41.16 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 -0.57 2.22 2.95 4.97 0.00 -1.05 -0.96 105.19 112.76 1x65 n GLY 21 Ca 0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.55 0.30 -0.47 1.61 0.08 -1.16 -3.60 117.98 111.19 1x65 s PHE 22 Ca 0.00 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.87 1x65 s PHE 22 Cb 0.00 -0.19 0.14 0.00 -0.57 0.00 0.00 43.02 42.39 1x65 s PHE 22 CO 0.00 -0.05 0.27 0.42 -0.10 0.00 0.00 175.22 175.76 1x65 s ILE 23 N -0.52 1.63 -0.07 0.64 1.01 -1.08 0.33 121.20 123.13 1x65 s ILE 23 Ca -0.04 -2.80 -0.33 0.00 0.00 0.00 0.00 60.65 57.48 1x65 s ILE 23 Cb -0.04 -2.13 -0.11 0.00 0.01 0.00 0.00 42.46 40.18 1x65 s ILE 23 CO -0.00 -0.91 1.91 1.17 0.00 0.00 0.00 174.94 177.11 1x65 n LYS 24 N 3.32 2.30 -2.66 2.79 4.81 -0.55 -2.32 118.16 125.85 1x65 n LYS 24 Ca 0.10 0.84 -0.37 0.00 -0.87 0.00 0.00 58.31 58.01 1x65 n LYS 24 Cb 0.35 -2.72 -0.05 0.00 0.02 0.00 0.00 35.03 32.62 1x65 n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x65 n VAL 26 N 0.41 0.07 -0.13 0.00 0.24 -1.22 -4.01 118.33 113.70 1x65 n VAL 26 Ca 0.03 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 62.04 1x65 n VAL 26 Cb 0.49 -0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.49 1x65 n VAL 26 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1x65 n ASP 27 N -1.60 1.92 -4.96 -1.34 2.03 -1.26 -5.01 116.55 106.32 1x65 n ASP 27 Ca 0.06 0.18 -0.20 0.00 0.52 0.00 0.00 54.79 55.35 1x65 n ASP 27 Cb 0.35 -0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.48 3.19 -0.64 -0.67 1.81 -1.26 -5.02 118.95 113.88 1x65 s ARG 28 Ca -0.35 -0.95 -0.02 0.00 -1.72 0.00 0.00 55.73 52.69 1x65 s ARG 28 Cb 0.12 -2.80 0.41 0.00 -0.45 0.00 0.00 34.95 32.23 1x65 s ARG 28 CO 0.49 0.22 2.05 -3.47 -0.68 0.00 0.00 175.30 173.91 1x65 n ASP 29 N -1.51 7.55 -3.88 0.23 2.03 -1.26 -4.25 116.55 115.46 1x65 n ASP 29 Ca -0.04 -3.71 -0.11 0.00 0.52 0.00 0.00 54.79 51.45 1x65 n ASP 29 Cb 0.58 -1.00 -0.11 0.00 -0.72 0.00 0.00 41.12 39.87 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 -4.54 0.06 0.43 5.18 -7.23 -1.26 -5.05 120.40 107.99 1x65 s VAL 30 Ca 0.60 -0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 60.13 1x65 s VAL 30 Cb 0.47 -0.30 -0.07 0.00 0.56 0.00 0.00 36.38 37.04 1x65 s VAL 30 CO -0.04 -0.28 0.83 -0.13 -0.31 0.00 0.00 175.10 175.16 1x65 s ARG 31 N -0.92 3.86 -0.30 4.82 0.52 -1.26 -3.18 118.95 122.49 1x65 s ARG 31 Ca -0.10 0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 55.67 1x65 s ARG 31 Cb -0.06 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1x65 s ARG 31 CO 0.01 -0.08 0.10 1.41 0.02 0.00 0.00 175.30 176.75 1x65 s MET 32 N -3.81 3.20 -0.25 3.54 -2.45 -0.98 -4.83 119.30 113.73 1x65 s MET 32 Ca 0.54 -0.79 -0.29 0.00 -1.25 0.00 0.00 55.69 53.90 1x65 s MET 32 Cb -0.10 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.53 1x65 s MET 32 CO 0.30 -0.42 1.83 0.12 1.05 0.00 0.00 175.02 177.90 1x65 s PHE 33 N 1.54 1.74 0.16 4.11 2.19 -1.26 -2.65 117.98 123.81 1x65 s PHE 33 Ca 0.03 0.50 0.11 0.00 0.33 0.00 0.00 56.93 57.90 1x65 s PHE 33 Cb -0.17 -4.06 -0.04 0.00 -1.31 0.00 0.00 43.02 37.44 1x65 s PHE 33 CO 0.04 -3.36 -0.22 -0.59 1.83 0.00 0.00 175.22 172.92 1x65 s PHE 34 N 6.43 2.38 0.17 10.12 -0.71 -1.24 -4.30 117.98 130.84 1x65 s PHE 34 Ca 0.82 -0.33 0.06 0.00 -1.04 0.00 0.00 56.93 56.43 1x65 s PHE 34 Cb -0.27 -1.23 -0.04 0.00 -1.21 0.00 0.00 43.02 40.27 1x65 s PHE 34 CO 0.33 0.43 0.11 -1.01 -1.34 0.00 0.00 175.22 173.74 1x65 s HIS 35 N -1.37 3.07 -0.02 3.49 3.76 -1.26 -2.53 115.29 120.43 1x65 s HIS 35 Ca 0.18 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 55.02 1x65 s HIS 35 Cb -0.09 -1.47 -0.07 0.00 1.11 0.00 0.00 32.58 32.06 1x65 s HIS 35 CO 0.09 0.52 2.47 1.19 -0.85 0.00 0.00 174.74 178.16 1x65 n PHE 36 N -0.35 0.10 0.00 1.40 3.01 -0.72 -3.29 117.46 117.61 1x65 n PHE 36 Ca -0.09 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.17 1x65 n PHE 36 Cb 0.55 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 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 1.72 3.42 0.06 4.37 7.64 -1.26 -4.70 113.62 124.88 1x65 n SER 37 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.16 1x65 n SER 37 Cb 0.62 0.43 0.48 0.00 -1.01 0.00 0.00 64.21 64.73 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 -1.40 0.15 0.00 1.43 -0.58 -1.21 -3.28 120.64 115.75 1x65 n GLU 38 Ca 0.00 0.12 0.08 0.00 -0.42 0.00 0.00 57.16 56.94 1x65 n GLU 38 Cb 0.26 -1.68 0.48 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 -1.94 0.00 0.14 -3.67 5.41 -1.26 -0.32 119.36 117.71 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 0.39 -0.71 0.75 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 -1.25 1.39 8.10 -1.82 -1.28 115.31 120.45 1x65 h LEU 40 Ca 0.00 0.00 0.33 0.00 0.11 0.00 0.00 57.88 58.32 1x65 h LEU 40 Cb 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 40.66 40.10 1x65 h LEU 40 CO 0.00 0.00 0.69 0.44 -4.11 0.00 0.00 178.44 175.46 1x65 h ASP 41 N 0.00 0.43 0.00 0.17 5.19 -1.74 -3.46 116.42 117.01 1x65 h ASP 41 Ca 0.16 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1x65 h ASP 41 Cb 1.01 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1x65 h ASP 41 CO -0.00 -0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.68 1x65 n GLY 42 N -1.42 1.08 0.00 2.75 0.00 -0.48 -5.07 105.19 102.05 1x65 n GLY 42 Ca 0.31 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.55 1.61 3.02 -1.26 -4.83 115.26 109.24 1x65 n ASN 43 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1x65 n ASN 43 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 1x65 n ASN 43 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1x65 n GLN 44 N 0.00 0.55 -1.16 3.52 7.27 -1.26 -4.87 117.38 121.43 1x65 n GLN 44 Ca 0.00 -0.74 -0.34 0.00 0.07 0.00 0.00 57.00 55.99 1x65 n GLN 44 Cb 0.00 -3.49 0.11 0.00 2.41 0.00 0.00 30.24 29.27 1x65 n GLN 44 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1x65 n LEU 45 N 17.64 3.56 -3.90 1.69 4.77 -1.26 -5.04 117.00 134.46 1x65 n LEU 45 Ca 0.48 0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 56.95 1x65 n LEU 45 Cb 0.42 -1.44 -0.09 0.00 -2.33 0.00 0.00 43.42 39.98 1x65 n LEU 45 CO 0.59 -2.04 -0.17 -1.00 -1.33 0.00 0.00 177.39 173.44 1x65 s HIS 46 N -2.05 0.17 -0.09 -1.77 3.76 -1.26 -5.10 115.29 108.95 1x65 s HIS 46 Ca 0.71 -0.49 -0.40 0.00 -0.15 0.00 0.00 55.06 54.73 1x65 s HIS 46 Cb -0.30 -0.11 -0.18 0.00 1.11 0.00 0.00 32.58 33.09 1x65 s HIS 46 CO 0.52 -0.41 1.33 -0.89 -0.85 0.00 0.00 174.74 174.45 1x65 n ILE 47 N 0.57 0.04 -3.09 0.60 2.08 -1.26 -1.95 119.36 116.34 1x65 n ILE 47 Ca -0.18 -0.01 -0.14 0.00 0.56 0.00 0.00 62.75 62.99 1x65 n ILE 47 Cb 0.59 -0.51 0.06 0.00 -0.75 0.00 0.00 39.64 39.04 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 2.76 -2.25 -2.76 -1.39 0.00 0.58 -4.95 120.51 112.50 1x65 n ALA 48 Ca 0.22 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 1x65 n ALA 48 Cb 0.10 -5.04 -0.16 0.00 0.00 0.00 0.00 19.45 14.35 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 -3.42 1.89 0.32 0.00 1.11 -0.82 -4.79 116.67 110.95 1x65 s ASP 49 Ca 0.38 -0.30 -0.29 0.00 0.18 0.00 0.00 52.55 52.52 1x65 s ASP 49 Cb -0.05 -0.39 -0.10 0.00 1.07 0.00 0.00 42.92 43.45 1x65 s ASP 49 CO 0.67 0.16 1.30 -1.61 1.18 0.00 0.00 175.17 176.87 1x65 s GLU 50 N -0.12 4.37 -0.02 8.23 2.02 -1.26 -2.27 118.70 129.65 1x65 s GLU 50 Ca 0.01 2.19 -0.05 0.00 0.02 0.00 0.00 54.97 57.14 1x65 s GLU 50 Cb -0.09 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1x65 s GLU 50 CO 0.01 -0.18 0.11 0.14 0.02 0.00 0.00 175.26 175.35 1x65 s VAL 51 N -1.03 0.04 -0.16 2.63 -7.23 -0.94 -2.68 120.40 111.03 1x65 s VAL 51 Ca 0.49 -0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 60.30 1x65 s VAL 51 Cb -0.39 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 1x65 s VAL 51 CO 0.51 -0.18 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.38 1x65 s GLU 52 N -0.59 3.67 -0.00 4.82 2.12 0.12 -3.24 118.70 125.60 1x65 s GLU 52 Ca -0.07 -0.52 -0.12 0.00 0.36 0.00 0.00 54.97 54.62 1x65 s GLU 52 Cb -0.04 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.45 1x65 s GLU 52 CO 0.00 0.24 0.26 -0.59 -0.54 0.00 0.00 175.26 174.63 1x65 s PHE 53 N 0.36 -0.10 -0.43 5.30 -0.71 -1.06 -1.92 117.98 119.43 1x65 s PHE 53 Ca -0.04 0.10 -0.23 0.00 -1.04 0.00 0.00 56.93 55.72 1x65 s PHE 53 Cb -0.14 0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 1x65 s PHE 53 CO 0.03 -0.38 0.75 0.99 -1.34 0.00 0.00 175.22 175.27 1x65 s THR 54 N -1.55 4.71 -0.08 -4.49 2.01 -1.26 -0.15 115.64 114.83 1x65 s THR 54 Ca -0.12 0.48 -0.18 0.00 0.31 0.00 0.00 61.69 62.17 1x65 s THR 54 Cb -0.05 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1x65 s THR 54 CO 0.02 -0.62 0.48 -0.69 -0.69 0.00 0.00 174.62 173.12 1x65 s VAL 55 N 3.15 5.11 -0.03 3.82 1.01 -1.19 -4.23 120.40 128.04 1x65 s VAL 55 Ca 0.29 0.98 -0.24 0.00 0.00 0.00 0.00 61.98 63.00 1x65 s VAL 55 Cb -0.13 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1x65 s VAL 55 CO 0.21 0.39 0.53 0.68 0.00 0.00 0.00 175.10 176.91 1x65 s VAL 56 N 0.17 0.02 -0.32 2.92 -7.23 -1.26 -4.88 120.40 109.82 1x65 s VAL 56 Ca 0.26 -0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 1x65 s VAL 56 Cb -0.16 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 1x65 s VAL 56 CO 0.12 -0.11 1.68 -2.16 -0.31 0.00 0.00 175.10 174.32 1x65 s PRO 57 N -1.38 3.48 0.99 4.82 0.04 -1.26 -4.32 135.00 137.37 1x65 s PRO 57 Ca -0.11 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 1x65 s PRO 57 Cb -0.02 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.37 1x65 s PRO 57 CO 0.07 -1.68 -0.07 -0.25 0.04 0.00 0.00 177.00 175.11 1x65 n ASP 58 N 9.60 -3.24 -2.19 6.66 9.92 -1.15 -4.87 116.55 131.28 1x65 n ASP 58 Ca 0.21 0.22 -0.25 0.00 -0.53 0.00 0.00 54.79 54.44 1x65 n ASP 58 Cb 0.47 -1.02 0.15 0.00 -0.64 0.00 0.00 41.12 40.07 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 -0.40 2.27 0.00 -1.24 2.81 -1.26 -4.22 117.12 115.08 1x65 n MET 59 Ca 0.03 -2.90 0.00 0.00 -1.81 0.00 0.00 57.70 53.03 1x65 n MET 59 Cb 0.56 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 1x65 n MET 59 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1x65 n LEU 60 N -1.00 0.44 -4.02 4.03 -0.00 -1.26 -5.09 117.00 110.10 1x65 n LEU 60 Ca 0.57 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.37 1x65 n LEU 60 Cb 1.41 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.68 1x65 n LEU 60 CO 0.61 0.07 -0.45 -0.44 -0.00 0.00 0.00 177.39 177.19 1x65 s SER 61 N -2.73 1.31 0.10 1.45 0.01 -1.26 -5.05 113.70 107.54 1x65 s SER 61 Ca 0.00 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 56.87 1x65 s SER 61 Cb 0.00 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 1x65 s SER 61 CO 0.00 0.09 1.64 0.00 0.41 0.00 0.00 173.24 175.37 1x65 h ALA 62 N 6.28 0.34 -2.16 1.44 0.00 -1.98 -3.31 119.26 119.87 1x65 h ALA 62 Ca -0.33 -0.12 -0.81 0.00 0.00 0.00 0.00 54.91 53.65 1x65 h ALA 62 Cb 1.17 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.58 1x65 h ALA 62 CO 0.49 -0.06 0.66 0.94 0.00 0.00 0.00 179.25 181.28 1x65 n GLN 63 N -4.77 4.13 -3.64 0.00 7.27 -1.26 -4.86 117.38 114.26 1x65 n GLN 63 Ca -0.03 -4.52 -0.14 0.00 0.07 0.00 0.00 57.00 52.38 1x65 n GLN 63 Cb 0.14 -2.52 -0.07 0.00 2.41 0.00 0.00 30.24 30.19 1x65 n GLN 63 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1x65 s ARG 64 N -2.23 0.80 0.04 3.69 6.06 -1.24 -5.11 118.95 120.96 1x65 s ARG 64 Ca 0.31 0.81 -0.14 0.00 -2.50 0.00 0.00 55.73 54.21 1x65 s ARG 64 Cb -0.01 0.39 0.02 0.00 0.06 0.00 0.00 34.95 35.41 1x65 s ARG 64 CO 0.04 -0.12 0.30 -0.80 -2.50 0.00 0.00 175.30 172.21 1x65 s ASN 65 N 0.11 -0.12 0.31 -2.12 -0.87 -1.26 -2.95 114.94 108.04 1x65 s ASN 65 Ca -0.02 -0.17 0.06 0.00 -1.57 0.00 0.00 52.86 51.16 1x65 s ASN 65 Cb -0.04 0.35 -0.03 0.00 -0.02 0.00 0.00 41.25 41.51 1x65 s ASN 65 CO 0.02 -0.60 0.24 -1.38 -2.57 0.00 0.00 177.10 172.81 1x65 s HIS 66 N -2.44 1.66 -0.13 2.20 -3.43 -1.26 -4.72 115.29 107.17 1x65 s HIS 66 Ca -0.06 -1.58 0.01 0.00 -0.80 0.00 0.00 55.06 52.63 1x65 s HIS 66 Cb -0.01 -0.73 0.02 0.00 -1.43 0.00 0.00 32.58 30.43 1x65 s HIS 66 CO -0.03 -0.78 -0.13 0.00 -2.00 0.00 0.00 174.74 171.80 1x65 s ALA 67 N -3.55 1.69 0.26 -1.38 0.00 -1.26 -4.43 121.76 113.10 1x65 s ALA 67 Ca 0.39 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.66 1x65 s ALA 67 Cb 0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1x65 s ALA 67 CO 0.24 -0.28 0.11 0.96 0.00 0.00 0.00 175.76 176.79 1x65 s ILE 68 N 1.34 3.95 -0.27 0.00 -4.36 -1.26 -4.75 121.20 115.85 1x65 s ILE 68 Ca 0.01 -1.64 -0.24 0.00 -0.26 0.00 0.00 60.65 58.52 1x65 s ILE 68 Cb -0.13 -3.14 0.04 0.00 1.25 0.00 0.00 42.46 40.47 1x65 s ILE 68 CO -0.07 -0.35 0.40 0.54 0.24 0.00 0.00 174.94 175.70 1x65 n ARG 69 N -1.05 -1.19 -2.48 0.37 5.12 -1.26 -4.03 116.66 112.14 1x65 n ARG 69 Ca -0.07 0.95 -0.43 0.00 -1.93 0.00 0.00 57.85 56.37 1x65 n ARG 69 Cb 0.58 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 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 -1.00 4.22 -0.19 0.55 1.01 0.57 -4.62 121.20 121.73 1x65 s ILE 70 Ca 0.23 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.27 1x65 s ILE 70 Cb -0.02 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.25 1x65 s ILE 70 CO 0.53 -0.50 -0.09 -0.75 0.00 0.00 0.00 174.94 174.12 1x65 s LYS 71 N 4.07 1.93 0.69 2.79 2.20 -0.81 -4.30 119.74 126.31 1x65 s LYS 71 Ca 0.53 -0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 55.18 1x65 s LYS 71 Cb -0.15 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 1x65 s LYS 71 CO 0.22 -0.43 0.79 1.17 -0.36 0.00 0.00 175.35 176.74 1x65 n LYS 72 N 4.71 0.51 -4.31 4.03 4.81 -1.26 0.12 118.16 126.77 1x65 n LYS 72 Ca -0.14 0.22 -0.31 0.00 -0.87 0.00 0.00 58.31 57.21 1x65 n LYS 72 Cb 0.47 -2.04 -0.10 0.00 0.02 0.00 0.00 35.03 33.38 1x65 n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x65 s LEU 73 N -1.66 3.19 0.78 3.14 1.43 -1.09 -4.69 118.68 119.77 1x65 s LEU 73 Ca 0.71 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1x65 s LEU 73 Cb -0.37 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.01 1x65 s LEU 73 CO 0.52 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 176.26 1x65 s PRO 74 N -1.89 2.17 0.05 1.29 0.04 -1.26 -4.76 135.00 130.64 1x65 s PRO 74 Ca 0.20 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 1x65 s PRO 74 Cb -0.11 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1x65 s PRO 74 CO 0.12 -1.70 1.52 0.21 0.04 0.00 0.00 177.00 177.19 1x65 s LYS 75 N -4.91 4.25 0.00 4.56 2.20 -1.26 -3.32 119.74 121.26 1x65 s LYS 75 Ca 0.61 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 1x65 s LYS 75 Cb -0.17 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1x65 s LYS 75 CO 0.56 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1x65 n GLY 76 N 3.79 3.56 0.00 5.54 0.00 -1.26 -5.00 105.19 111.82 1x65 n GLY 76 Ca 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.00 -2.12 2.61 -1.04 -1.21 -4.64 114.28 107.88 1x65 n THR 77 Ca 0.00 1.21 -0.35 0.00 -2.04 0.00 0.00 64.05 62.87 1x65 n THR 77 Cb 0.00 -1.99 0.02 0.00 -1.82 0.00 0.00 70.33 66.54 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 -1.84 2.95 -0.30 12.58 1.01 -1.26 -5.04 120.40 128.50 1x65 s VAL 78 Ca 0.00 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 1x65 s VAL 78 Cb 0.00 -3.22 0.18 0.00 0.00 0.00 0.00 36.38 33.34 1x65 s VAL 78 CO 0.00 -0.14 1.12 -0.44 0.00 0.00 0.00 175.10 175.64 1x65 s SER 79 N -1.76 -0.35 -0.35 3.32 0.01 -1.26 -5.07 113.70 108.24 1x65 s SER 79 Ca 0.74 0.42 0.10 0.00 1.31 0.00 0.00 55.95 58.52 1x65 s SER 79 Cb -0.26 1.38 0.36 0.00 0.21 0.00 0.00 66.02 67.71 1x65 s SER 79 CO 0.31 -0.07 1.39 2.22 0.41 0.00 0.00 173.24 177.50 1x65 n PHE 80 N 4.92 -2.09 0.00 2.43 -1.74 -1.26 -4.98 117.46 114.74 1x65 n PHE 80 Ca -0.08 -1.69 0.00 0.00 -0.56 0.00 0.00 57.45 55.12 1x65 n PHE 80 Cb 0.54 1.53 0.00 0.00 1.52 0.00 0.00 39.48 43.06 1x65 n PHE 80 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1x65 n HIS 81 N -0.98 -0.29 -3.24 2.97 8.25 -1.26 -5.09 115.22 115.58 1x65 n HIS 81 Ca -0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 1x65 n HIS 81 Cb 0.84 0.06 0.02 0.00 1.12 0.00 0.00 29.99 32.03 1x65 n HIS 81 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1x65 n SER 82 N -1.94 -6.47 -4.92 0.41 7.64 -1.26 -4.97 113.62 102.11 1x65 n SER 82 Ca 0.00 0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.79 1x65 n SER 82 Cb 0.00 -2.90 -0.04 0.00 -1.01 0.00 0.00 64.21 60.26 1x65 n SER 82 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1x65 s HIS 83 N -1.73 3.49 -0.18 1.43 2.46 -1.26 -5.10 115.29 114.41 1x65 s HIS 83 Ca 0.28 0.37 -0.07 0.00 0.47 0.00 0.00 55.06 56.11 1x65 s HIS 83 Cb -0.04 -1.86 -0.04 0.00 -0.13 0.00 0.00 32.58 30.51 1x65 s HIS 83 CO 0.73 0.47 0.04 0.45 -2.47 0.00 0.00 174.74 173.96 1x65 s SER 84 N -2.76 5.48 -0.20 9.88 0.15 -1.26 -5.08 113.70 119.90 1x65 s SER 84 Ca 0.38 0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.79 1x65 s SER 84 Cb -0.12 -1.93 0.13 0.00 -1.71 0.00 0.00 66.02 62.39 1x65 s SER 84 CO 0.27 0.18 1.02 -0.83 1.20 0.00 0.00 173.24 175.08 1x65 s GLY 85 N 0.34 -0.21 0.00 9.45 0.00 -1.26 -5.01 107.32 110.63 1x65 s GLY 85 Ca 0.02 2.28 0.16 0.00 0.00 0.00 0.00 44.72 47.18 1x65 s GLY 85 CO 0.01 1.32 1.35 -1.55 0.00 0.00 0.00 173.10 174.22 1x65 n PRO 86 N 1.24 0.47 -2.43 2.90 -0.04 -1.26 -4.94 135.00 130.94 1x65 n PRO 86 Ca -0.11 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1x65 n PRO 86 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1x65 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x65 n SER 87 N -1.02 -4.61 -4.76 3.54 7.64 -1.26 -4.99 113.62 108.16 1x65 n SER 87 Ca 0.11 1.54 -0.29 0.00 1.01 0.00 0.00 58.87 61.24 1x65 n SER 87 Cb 0.06 -5.10 0.13 0.00 -1.01 0.00 0.00 64.21 58.29 1x65 n SER 87 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x65 s SER 88 N -0.61 3.56 0.00 6.43 0.15 -1.26 -5.33 113.70 116.64 1x65 s SER 88 Ca -0.15 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1x65 s SER 88 Cb 0.01 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1x65 s SER 88 CO 0.40 -2.54 0.00 0.61 1.20 0.00 0.00 173.24 172.92