#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djc s ILE 2 N 0.00 3.36 -0.32 -0.08 2.07 -1.17 -2.85 121.20 122.21 3djc s ILE 2 Ca 0.00 -0.58 -0.14 0.00 -1.41 0.00 0.00 60.65 58.53 3djc s ILE 2 Cb 0.00 -2.39 -0.03 0.00 0.13 0.00 0.00 42.46 40.17 3djc s ILE 2 CO 0.00 0.55 0.29 -0.22 -1.91 0.00 0.00 174.94 173.65 3djc s LEU 3 N -0.15 4.30 -0.17 8.50 2.96 0.18 -1.56 118.68 132.75 3djc s LEU 3 Ca 0.00 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3djc s LEU 3 Cb -0.13 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3djc s LEU 3 CO 0.03 -0.22 0.02 0.00 -1.32 0.00 0.00 176.35 174.86 3djc s ILE 5 N 0.40 1.50 -0.24 0.00 1.01 -0.14 -1.55 121.20 122.17 3djc s ILE 5 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 3djc s ILE 5 Cb -0.13 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3djc s ILE 5 CO 0.01 0.40 0.16 -0.62 0.00 0.00 0.00 174.94 174.89 3djc s ASP 6 N 1.51 6.10 -0.48 3.58 2.15 0.78 -0.87 116.67 129.44 3djc s ASP 6 Ca 0.04 0.10 -0.11 0.00 0.43 0.00 0.00 52.55 53.01 3djc s ASP 6 Cb -0.13 -2.10 0.11 0.00 -0.30 0.00 0.00 42.92 40.49 3djc s ASP 6 CO -0.10 0.06 0.37 -0.69 -0.17 0.00 0.00 175.17 174.64 3djc s VAL 7 N 1.08 4.52 0.40 1.11 1.01 -0.11 0.34 120.40 128.76 3djc s VAL 7 Ca 0.07 -1.60 0.03 0.00 0.00 0.00 0.00 61.98 60.48 3djc s VAL 7 Cb -0.14 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.41 3djc s VAL 7 CO 0.05 -0.74 0.55 0.61 0.00 0.00 0.00 175.10 175.57 3djc n GLY 8 N 5.01 1.36 0.08 4.51 0.00 -0.36 -1.58 105.19 114.22 3djc n GLY 8 Ca -0.10 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 43.94 3djc n GLY 8 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3djc h ASN 9 N -0.14 0.00 0.00 1.61 4.21 -1.97 -3.37 115.58 115.92 3djc h ASN 9 Ca -0.18 -0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.18 3djc h ASN 9 Cb 0.76 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.95 3djc h ASN 9 CO 0.23 0.06 -1.10 -1.54 -1.29 0.00 0.00 177.43 173.79 3djc n SER 10 N -2.20 4.30 -4.10 5.81 3.41 -1.26 -4.83 113.62 114.74 3djc n SER 10 Ca 0.04 -0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.40 3djc n SER 10 Cb 0.44 0.28 -0.16 0.00 -0.26 0.00 0.00 64.21 64.51 3djc n SER 10 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3djc s HIS 11 N -2.03 1.51 -0.17 7.33 3.76 -1.26 -3.44 115.29 120.99 3djc s HIS 11 Ca -0.01 -0.42 -0.24 0.00 -0.15 0.00 0.00 55.06 54.23 3djc s HIS 11 Cb 0.01 -1.02 -0.02 0.00 1.11 0.00 0.00 32.58 32.65 3djc s HIS 11 CO 0.05 -0.15 0.79 0.42 -0.85 0.00 0.00 174.74 175.00 3djc s ILE 12 N 0.07 4.92 -0.25 0.60 1.01 -0.20 -1.22 121.20 126.12 3djc s ILE 12 Ca -0.03 1.54 0.03 0.00 0.00 0.00 0.00 60.65 62.18 3djc s ILE 12 Cb -0.11 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.32 3djc s ILE 12 CO 0.02 0.06 -0.12 -0.47 0.00 0.00 0.00 174.94 174.42 3djc s TYR 13 N 2.02 3.19 0.40 3.97 5.04 0.15 -0.31 117.35 131.82 3djc s TYR 13 Ca 0.37 -2.21 0.08 0.00 -2.44 0.00 0.00 57.07 52.86 3djc s TYR 13 Cb -0.16 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 3djc s TYR 13 CO 0.12 -0.87 0.21 0.20 -1.34 0.00 0.00 175.55 173.88 3djc s GLY 14 N 1.14 2.23 -0.27 8.97 0.00 -0.49 -0.15 107.32 118.74 3djc s GLY 14 Ca -0.07 -2.02 -0.27 0.00 0.00 0.00 0.00 44.72 42.37 3djc s GLY 14 CO -0.06 -1.85 1.22 -0.32 0.00 0.00 0.00 173.10 172.10 3djc s GLY 15 N -3.94 0.05 -0.09 0.20 0.00 -0.60 -1.36 107.32 101.58 3djc s GLY 15 Ca 0.42 2.89 -0.02 0.00 0.00 0.00 0.00 44.72 48.01 3djc s GLY 15 CO 0.24 1.62 0.01 0.54 0.00 0.00 0.00 173.10 175.50 3djc s VAL 16 N -0.28 4.35 -0.08 1.40 0.11 -0.21 -1.51 120.40 124.18 3djc s VAL 16 Ca 0.05 -0.23 -0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3djc s VAL 16 Cb -0.04 -2.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 3djc s VAL 16 CO -0.08 0.60 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.87 3djc s PHE 17 N -0.78 2.99 -1.02 1.54 0.40 -0.60 -1.78 117.98 118.72 3djc s PHE 17 Ca 0.12 0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.40 3djc s PHE 17 Cb -0.12 -1.76 0.26 0.00 0.51 0.00 0.00 43.02 41.91 3djc s PHE 17 CO 0.02 0.30 0.99 -3.47 0.70 0.00 0.00 175.22 173.77 3djc n ASP 18 N 2.39 4.99 0.00 1.36 4.64 0.17 -3.07 116.55 127.03 3djc n ASP 18 Ca -0.18 -3.10 0.00 0.00 -1.38 0.00 0.00 54.79 50.13 3djc n ASP 18 Cb 0.53 -1.23 0.00 0.00 -1.04 0.00 0.00 41.12 39.38 3djc n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3djc n GLY 19 N 2.44 2.20 0.19 0.27 0.00 -1.26 -3.67 105.19 105.36 3djc n GLY 19 Ca 0.23 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 3djc n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3djc n ASP 20 N 5.43 2.63 -4.86 1.61 4.64 -1.26 -5.03 116.55 119.72 3djc n ASP 20 Ca 0.00 -0.01 -0.31 0.00 -1.38 0.00 0.00 54.79 53.08 3djc n ASP 20 Cb 0.00 -0.20 -0.02 0.00 -1.04 0.00 0.00 41.12 39.86 3djc n ASP 20 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3djc s GLU 21 N -2.20 3.84 -0.23 -0.67 -1.05 -1.24 -5.02 118.70 112.12 3djc s GLU 21 Ca -0.14 0.82 -0.17 0.00 -0.15 0.00 0.00 54.97 55.33 3djc s GLU 21 Cb 0.04 -2.17 -0.03 0.00 -0.44 0.00 0.00 34.13 31.53 3djc s GLU 21 CO 0.23 -0.30 0.44 0.42 0.95 0.00 0.00 175.26 177.00 3djc s ILE 22 N -2.71 5.15 -0.02 1.83 1.01 -1.26 -0.66 121.20 124.54 3djc s ILE 22 Ca 0.57 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 61.79 3djc s ILE 22 Cb -0.10 -3.77 -0.33 0.00 0.01 0.00 0.00 42.46 38.27 3djc s ILE 22 CO 0.37 0.18 0.92 0.11 0.00 0.00 0.00 174.94 176.52 3djc h LYS 23 N 7.71 0.40 -2.91 2.79 1.57 -1.70 -3.48 116.57 120.95 3djc h LYS 23 Ca -0.33 -0.69 -0.13 0.00 -1.87 0.00 0.00 60.65 57.63 3djc h LYS 23 Cb 1.16 0.26 -0.23 0.00 0.08 0.00 0.00 32.23 33.49 3djc h LYS 23 CO 0.70 1.33 -0.29 -1.17 -0.57 0.00 0.00 179.45 179.46 3djc s LEU 24 N -7.74 0.69 0.10 2.94 2.96 -1.24 -5.03 118.68 111.36 3djc s LEU 24 Ca -0.12 0.54 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3djc s LEU 24 Cb 0.02 1.24 -0.03 0.00 0.50 0.00 0.00 46.19 47.92 3djc s LEU 24 CO 0.88 -0.22 -0.16 0.00 -1.32 0.00 0.00 176.35 175.53 3djc s ARG 25 N -0.25 1.00 0.11 1.98 3.03 -1.26 -1.04 118.95 122.51 3djc s ARG 25 Ca -0.04 -1.14 -0.10 0.00 2.03 0.00 0.00 55.73 56.48 3djc s ARG 25 Cb -0.03 -1.04 0.00 0.00 -1.03 0.00 0.00 34.95 32.85 3djc s ARG 25 CO 0.02 0.22 0.24 -0.59 -1.13 0.00 0.00 175.30 174.06 3djc s PHE 26 N -1.59 0.13 0.16 5.89 -0.71 -0.46 -4.97 117.98 116.43 3djc s PHE 26 Ca 0.05 -0.54 0.06 0.00 -1.04 0.00 0.00 56.93 55.46 3djc s PHE 26 Cb -0.08 -0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 3djc s PHE 26 CO 0.03 -0.60 -0.12 0.50 -1.34 0.00 0.00 175.22 173.69 3djc s ARG 27 N -3.87 1.13 0.24 1.99 3.52 -1.26 -1.40 118.95 119.30 3djc s ARG 27 Ca 0.07 -1.44 -0.14 0.00 -0.13 0.00 0.00 55.73 54.09 3djc s ARG 27 Cb 0.04 -0.84 0.00 0.00 -1.56 0.00 0.00 34.95 32.60 3djc s ARG 27 CO -0.09 0.13 0.50 -1.58 -0.81 0.00 0.00 175.30 173.45 3djc s HIS 28 N -2.94 0.27 0.05 5.12 2.46 0.58 -4.98 115.29 115.85 3djc s HIS 28 Ca 0.17 -0.64 -0.20 0.00 0.47 0.00 0.00 55.06 54.85 3djc s HIS 28 Cb -0.00 0.25 -0.06 0.00 -0.13 0.00 0.00 32.58 32.63 3djc s HIS 28 CO 0.03 -1.00 0.60 0.99 -2.47 0.00 0.00 174.74 172.89 3djc s THR 29 N -3.99 4.78 0.00 0.89 2.01 -1.26 -1.03 115.64 117.03 3djc s THR 29 Ca 0.20 1.27 -0.03 0.00 0.31 0.00 0.00 61.69 63.45 3djc s THR 29 Cb -0.01 -3.93 -0.12 0.00 0.01 0.00 0.00 72.50 68.44 3djc s THR 29 CO 0.07 0.49 2.25 -1.54 -0.69 0.00 0.00 174.62 175.21 3djc n SER 30 N 2.14 3.77 0.00 3.53 3.41 -1.22 -3.72 113.62 121.53 3djc n SER 30 Ca -0.08 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3djc n SER 30 Cb 0.51 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3djc n SER 30 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3djc n LYS 31 N 2.27 0.00 -3.20 4.33 4.81 -1.26 -4.99 118.16 120.12 3djc n LYS 31 Ca 0.19 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.25 3djc n LYS 31 Cb 0.55 -0.38 -0.05 0.00 0.02 0.00 0.00 35.03 35.17 3djc n LYS 31 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3djc s VAL 32 N -1.76 5.09 0.00 3.15 1.01 -1.24 -4.90 120.40 121.74 3djc s VAL 32 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3djc s VAL 32 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3djc s VAL 32 CO 0.00 0.32 0.00 -1.20 0.00 0.00 0.00 175.10 174.22 3djc n SER 33 N 3.54 2.91 -4.91 3.32 7.64 -1.26 -4.62 113.62 120.23 3djc n SER 33 Ca -0.05 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.56 3djc n SER 33 Cb 0.51 0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.91 3djc n SER 33 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3djc s THR 34 N -1.62 4.97 0.35 0.44 -4.23 -1.26 -4.79 115.64 109.49 3djc s THR 34 Ca 0.00 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 3djc s THR 34 Cb 0.00 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.14 3djc s THR 34 CO 0.00 -0.61 1.83 0.77 -0.54 0.00 0.00 174.62 176.07 3djc h SER 35 N 0.85 0.25 -0.45 3.99 4.64 -1.93 -0.47 113.55 120.43 3djc h SER 35 Ca -0.48 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 60.63 3djc h SER 35 Cb 1.20 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3djc h SER 35 CO 0.63 0.50 -0.27 0.44 -0.87 0.00 0.00 176.83 177.26 3djc h ASP 36 N 0.24 1.01 0.02 4.97 3.32 -1.92 -0.68 116.42 123.37 3djc h ASP 36 Ca 0.04 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 3djc h ASP 36 Cb 0.55 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3djc h ASP 36 CO 0.04 1.21 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.43 3djc h GLU 37 N 0.82 -0.02 -0.52 3.56 5.08 -1.80 -2.30 114.58 119.39 3djc h GLU 37 Ca 0.09 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3djc h GLU 37 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3djc h GLU 37 CO 0.08 0.29 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.28 3djc h LEU 38 N -0.33 0.89 -1.19 1.33 3.38 -1.17 -2.93 115.31 115.29 3djc h LEU 38 Ca -0.00 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3djc h LEU 38 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3djc h LEU 38 CO 0.00 0.96 -0.36 1.23 0.09 0.00 0.00 178.44 180.37 3djc h GLY 39 N 0.99 0.00 0.92 0.83 0.00 -1.13 -0.44 103.07 104.23 3djc h GLY 39 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 3djc h GLY 39 CO 0.03 0.00 -0.46 -2.22 0.00 0.00 0.00 176.54 173.89 3djc h ILE 40 N 0.00 1.34 -0.03 2.60 1.08 -1.37 -3.11 117.51 118.02 3djc h ILE 40 Ca -0.00 -1.74 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 3djc h ILE 40 Cb 0.74 2.03 -0.00 0.00 -3.07 0.00 0.00 36.82 36.52 3djc h ILE 40 CO 0.05 0.53 0.00 0.15 -0.69 0.00 0.00 178.15 178.19 3djc h PHE 41 N 0.22 0.05 -0.83 1.37 3.57 -1.30 -0.93 116.94 119.09 3djc h PHE 41 Ca -0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3djc h PHE 41 Cb 1.09 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 3djc h PHE 41 CO 0.10 0.31 0.54 -0.07 -2.23 0.00 0.00 178.31 176.96 3djc h LEU 42 N -0.22 0.91 -0.06 0.59 3.38 -1.22 0.31 115.31 119.00 3djc h LEU 42 Ca 0.01 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 3djc h LEU 42 Cb 0.29 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3djc h LEU 42 CO 0.00 0.64 -1.01 0.11 0.09 0.00 0.00 178.44 178.27 3djc h LYS 43 N 1.07 0.59 0.00 1.13 1.57 -1.49 -3.06 116.57 116.38 3djc h LYS 43 Ca 0.32 -0.64 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 3djc h LYS 43 Cb -0.04 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3djc h LYS 43 CO -0.08 1.25 -0.46 0.66 -0.57 0.00 0.00 179.45 180.25 3djc h SER 44 N 0.33 0.00 0.71 0.86 4.64 -0.92 -2.61 113.55 116.56 3djc h SER 44 Ca -0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 3djc h SER 44 Cb 1.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.73 3djc h SER 44 CO 0.19 0.46 -0.66 1.62 -0.87 0.00 0.00 176.83 177.57 3djc h VAL 45 N 0.00 1.43 0.25 0.95 3.04 -0.44 -2.50 116.25 118.98 3djc h VAL 45 Ca -0.00 -2.27 -0.34 0.00 -1.01 0.00 0.00 66.70 63.08 3djc h VAL 45 Cb 1.19 2.24 0.04 0.00 -2.01 0.00 0.00 31.29 32.74 3djc h VAL 45 CO 0.06 0.64 -1.48 -0.07 -1.01 0.00 0.00 177.57 175.71 3djc h LEU 46 N 0.00 0.82 -0.45 3.16 3.38 -1.57 -3.28 115.31 117.37 3djc h LEU 46 Ca -0.01 -0.88 -0.17 0.00 0.09 0.00 0.00 57.88 56.91 3djc h LEU 46 Cb 1.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3djc h LEU 46 CO 0.09 1.69 -0.53 -0.09 0.09 0.00 0.00 178.44 179.68 3djc h ARG 47 N 0.14 0.67 0.00 1.13 2.43 -1.48 -1.19 114.38 116.09 3djc h ARG 47 Ca -0.25 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 3djc h ARG 47 Cb 2.16 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.76 3djc h ARG 47 CO 0.27 1.03 -0.03 0.39 -1.51 0.00 0.00 179.97 180.13 3djc n GLU 48 N -3.98 0.02 -0.76 0.20 -0.58 -0.94 -2.72 120.64 111.88 3djc n GLU 48 Ca -0.03 0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.71 3djc n GLU 48 Cb 0.61 -1.53 0.25 0.00 -0.57 0.00 0.00 31.44 30.20 3djc n GLU 48 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3djc n ASN 49 N -1.57 3.76 -3.40 1.62 3.02 -1.15 -4.99 115.26 112.56 3djc n ASN 49 Ca 0.07 -3.33 -0.18 0.00 -0.03 0.00 0.00 54.58 51.11 3djc n ASN 49 Cb 0.35 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 38.94 3djc n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3djc n ASN 50 N -0.62 -4.35 -3.28 6.41 4.13 -1.10 -5.01 115.26 111.44 3djc n ASN 50 Ca 0.33 -0.72 -0.07 0.00 1.68 0.00 0.00 54.58 55.79 3djc n ASN 50 Cb 1.12 -4.89 -0.04 0.00 -1.54 0.00 0.00 39.78 34.43 3djc n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djc n SER 52 N 4.43 1.10 0.22 0.00 2.88 -1.26 -3.67 113.62 117.32 3djc n SER 52 Ca 0.10 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 3djc n SER 52 Cb 0.51 -1.14 0.67 0.00 -0.75 0.00 0.00 64.21 63.50 3djc n SER 52 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3djc h PRO 53 N 3.67 0.00 0.00 -1.46 0.11 -1.89 -2.40 132.00 130.03 3djc h PRO 53 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3djc h PRO 53 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3djc h PRO 53 CO 0.72 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.44 3djc h GLU 54 N 0.00 0.00 0.00 1.05 3.07 -1.95 -2.88 114.58 113.86 3djc h GLU 54 Ca 0.04 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 3djc h GLU 54 Cb 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3djc h GLU 54 CO -0.00 0.00 -0.30 1.15 -1.40 0.00 0.00 179.01 178.46 3djc h THR 55 N 0.00 0.77 -3.03 1.13 2.02 -1.79 -3.43 112.91 108.57 3djc h THR 55 Ca 0.00 -1.28 -0.57 0.00 0.77 0.00 0.00 66.41 65.33 3djc h THR 55 Cb 0.51 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 3djc h THR 55 CO 0.00 0.30 1.01 -0.63 0.37 0.00 0.00 175.52 176.57 3djc s ILE 56 N -3.71 4.02 -0.15 3.11 -1.09 -1.09 -4.51 121.20 117.78 3djc s ILE 56 Ca -0.00 1.15 0.02 0.00 -2.23 0.00 0.00 60.65 59.59 3djc s ILE 56 Cb 0.11 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 3djc s ILE 56 CO 0.66 -0.42 0.34 0.54 -1.23 0.00 0.00 174.94 174.84 3djc n ARG 57 N 7.40 2.39 -4.11 2.79 1.74 -1.21 -4.99 116.66 120.66 3djc n ARG 57 Ca 0.16 -0.34 -0.17 0.00 -0.77 0.00 0.00 57.85 56.72 3djc n ARG 57 Cb 0.46 -0.83 -0.15 0.00 -1.02 0.00 0.00 32.46 30.91 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3djc s LYS 58 N -0.58 0.53 -0.02 5.56 1.02 -1.13 -5.02 119.74 120.10 3djc s LYS 58 Ca 0.01 -0.10 0.04 0.00 0.02 0.00 0.00 55.97 55.95 3djc s LYS 58 Cb 0.01 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.75 3djc s LYS 58 CO 0.04 -0.01 -0.15 0.42 -0.92 0.00 0.00 175.35 174.73 3djc s ILE 59 N 0.49 1.17 -0.05 2.17 1.01 -1.26 -0.64 121.20 124.09 3djc s ILE 59 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3djc s ILE 59 Cb -0.09 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.41 3djc s ILE 59 CO -0.00 0.34 -0.02 0.00 0.00 0.00 0.00 174.94 175.26 3djc s ALA 60 N -0.21 0.55 -0.21 9.38 0.00 0.82 -1.14 121.76 130.95 3djc s ALA 60 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 3djc s ALA 60 Cb -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.60 3djc s ALA 60 CO 0.00 -0.15 -0.13 0.42 0.00 0.00 0.00 175.76 175.90 3djc s ILE 61 N 1.23 2.58 -0.18 0.00 1.01 0.25 -0.97 121.20 125.12 3djc s ILE 61 Ca -0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3djc s ILE 61 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3djc s ILE 61 CO -0.02 0.42 0.06 0.00 0.00 0.00 0.00 174.94 175.40 3djc s SER 63 N 0.29 0.15 0.00 0.00 1.04 -1.26 -0.94 113.70 112.98 3djc s SER 63 Ca 0.03 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3djc s SER 63 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3djc s SER 63 CO 0.00 -0.48 0.01 0.55 0.98 0.00 0.00 173.24 174.31 3djc n VAL 64 N 0.91 0.00 -3.55 5.02 3.14 -0.62 -4.24 118.33 119.00 3djc n VAL 64 Ca -0.20 -0.28 -0.41 0.00 -2.96 0.00 0.00 64.34 60.49 3djc n VAL 64 Cb 0.58 1.02 -0.09 0.00 -1.06 0.00 0.00 33.84 34.29 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3djc s VAL 65 N -0.54 4.31 0.50 1.55 1.01 -1.25 -4.98 120.40 121.00 3djc s VAL 65 Ca 0.00 -1.64 0.33 0.00 0.00 0.00 0.00 61.98 60.67 3djc s VAL 65 Cb 0.00 -3.77 0.36 0.00 0.00 0.00 0.00 36.38 32.97 3djc s VAL 65 CO 0.00 -0.70 2.19 -0.65 0.00 0.00 0.00 175.10 175.94 3djc h PRO 66 N 8.48 0.00 0.00 2.72 0.11 -1.96 -2.75 132.00 138.59 3djc h PRO 66 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3djc h PRO 66 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3djc h PRO 66 CO 0.84 0.05 0.00 1.04 -0.21 0.00 0.00 178.00 179.72 3djc n GLN 67 N -3.52 0.09 -0.05 1.05 6.02 -1.26 -2.60 117.38 117.10 3djc n GLN 67 Ca -0.02 0.26 -0.06 0.00 -0.01 0.00 0.00 57.00 57.17 3djc n GLN 67 Cb 0.16 -1.65 -0.15 0.00 1.02 0.00 0.00 30.24 29.62 3djc n GLN 67 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3djc n VAL 68 N -1.81 1.25 -0.08 5.09 0.31 -1.04 -4.69 118.33 117.36 3djc n VAL 68 Ca 0.04 -0.78 -0.09 0.00 -0.01 0.00 0.00 64.34 63.49 3djc n VAL 68 Cb 0.24 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 3djc n VAL 68 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3djc h ASP 69 N 0.00 -1.15 -0.26 4.52 5.19 -1.56 -2.03 116.42 121.14 3djc h ASP 69 Ca -0.38 0.18 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 3djc h ASP 69 Cb 1.97 0.51 -0.02 0.00 0.18 0.00 0.00 39.33 41.97 3djc h ASP 69 CO 0.04 -0.35 0.15 0.22 -3.12 0.00 0.00 179.24 176.18 3djc h TYR 70 N -0.32 0.29 0.00 4.55 3.20 -1.84 -0.79 116.97 122.05 3djc h TYR 70 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3djc h TYR 70 Cb 0.56 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3djc h TYR 70 CO -0.52 0.17 -0.29 0.66 -1.64 0.00 0.00 178.16 176.54 3djc h SER 71 N 0.32 0.00 -0.06 -2.11 4.64 -1.85 -1.85 113.55 112.64 3djc h SER 71 Ca 0.10 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 3djc h SER 71 Cb -0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3djc h SER 71 CO -0.04 0.29 -0.68 0.25 -0.87 0.00 0.00 176.83 175.78 3djc h LEU 72 N 0.00 0.71 -0.93 5.97 5.85 -1.12 0.14 115.31 125.92 3djc h LEU 72 Ca -0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.03 3djc h LEU 72 Cb 1.20 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3djc h LEU 72 CO 0.04 1.29 0.59 -0.09 -0.34 0.00 0.00 178.44 179.93 3djc h ARG 73 N 0.18 1.25 0.00 1.25 2.43 -1.18 -2.54 114.38 115.77 3djc h ARG 73 Ca -0.07 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3djc h ARG 73 Cb 1.34 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3djc h ARG 73 CO 0.14 0.85 -0.23 1.03 -1.51 0.00 0.00 179.97 180.25 3djc h SER 74 N 1.28 0.00 0.98 -3.80 0.87 -1.25 -2.80 113.55 108.82 3djc h SER 74 Ca 0.34 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.79 3djc h SER 74 Cb -0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3djc h SER 74 CO -0.07 0.23 -0.49 0.00 -0.53 0.00 0.00 176.83 175.98 3djc h ALA 75 N 1.77 0.86 0.04 6.23 0.00 -0.31 -3.25 119.26 124.59 3djc h ALA 75 Ca -0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 3djc h ALA 75 Cb 0.74 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3djc h ALA 75 CO 0.03 0.61 -0.62 0.00 0.00 0.00 0.00 179.25 179.28 3djc h VAL 77 N -0.23 1.42 0.08 0.00 -1.51 -1.53 -0.88 116.25 113.60 3djc h VAL 77 Ca -0.09 -2.04 -0.27 0.00 -1.23 0.00 0.00 66.70 63.07 3djc h VAL 77 Cb 1.37 2.08 0.03 0.00 -2.13 0.00 0.00 31.29 32.64 3djc h VAL 77 CO 0.12 0.59 -1.12 0.50 -1.23 0.00 0.00 177.57 176.43 3djc h LYS 78 N 0.05 0.61 0.00 5.19 3.64 -1.69 -3.06 116.57 121.32 3djc h LYS 78 Ca -0.01 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 3djc h LYS 78 Cb 1.08 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3djc h LYS 78 CO 0.08 1.34 -1.57 0.66 -2.27 0.00 0.00 179.45 177.70 3djc n TYR 79 N -3.86 0.00 0.00 1.91 4.01 -1.17 -4.58 117.16 113.46 3djc n TYR 79 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3djc n TYR 79 Cb 0.93 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3djc n TYR 79 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3djc n PHE 80 N -1.94 0.00 -3.71 -0.72 3.01 -0.36 -5.02 117.46 108.72 3djc n PHE 80 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 3djc n PHE 80 Cb 0.42 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.94 3djc n PHE 80 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3djc n SER 81 N -0.85 -4.88 -3.94 4.37 7.64 -1.04 -4.99 113.62 109.93 3djc n SER 81 Ca 0.00 -0.66 -0.27 0.00 1.01 0.00 0.00 58.87 58.95 3djc n SER 81 Cb 0.00 -4.54 -0.17 0.00 -1.01 0.00 0.00 64.21 58.49 3djc n SER 81 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3djc s ILE 82 N -3.35 1.10 -0.48 0.44 1.01 -1.20 -4.97 121.20 113.75 3djc s ILE 82 Ca 0.50 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 3djc s ILE 82 Cb -0.23 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3djc s ILE 82 CO 0.77 0.37 1.06 -0.62 0.00 0.00 0.00 174.94 176.53 3djc s ASP 83 N 1.50 6.56 0.70 3.58 2.15 -1.26 -3.28 116.67 126.63 3djc s ASP 83 Ca 0.02 0.29 -0.14 0.00 0.43 0.00 0.00 52.55 53.15 3djc s ASP 83 Cb -0.13 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.00 3djc s ASP 83 CO -0.06 -1.20 1.12 -2.16 -0.17 0.00 0.00 175.17 172.69 3djc s PRO 84 N 4.24 2.55 0.03 4.34 0.04 -1.26 -4.90 135.00 140.04 3djc s PRO 84 Ca 0.43 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 3djc s PRO 84 Cb -0.08 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3djc s PRO 84 CO 0.29 -1.45 1.31 0.12 0.04 0.00 0.00 177.00 177.31 3djc s PHE 85 N -2.42 3.16 -0.29 0.56 5.36 -0.29 -4.88 117.98 119.18 3djc s PHE 85 Ca 0.67 1.05 -0.08 0.00 -0.96 0.00 0.00 56.93 57.60 3djc s PHE 85 Cb -0.21 -3.56 -0.01 0.00 -0.34 0.00 0.00 43.02 38.90 3djc s PHE 85 CO 0.45 -1.92 0.11 -0.51 -1.46 0.00 0.00 175.22 171.90 3djc s LEU 86 N 1.71 3.84 -0.97 6.12 1.02 -1.26 0.85 118.68 129.98 3djc s LEU 86 Ca 0.61 -0.43 -0.24 0.00 0.02 0.00 0.00 54.13 54.09 3djc s LEU 86 Cb -0.31 -1.96 -0.00 0.00 0.02 0.00 0.00 46.19 43.94 3djc s LEU 86 CO 0.27 -0.14 1.72 -0.22 0.02 0.00 0.00 176.35 178.01 3djc s LEU 87 N 1.60 3.33 0.00 1.79 0.20 -0.76 -4.92 118.68 119.91 3djc s LEU 87 Ca 0.05 -1.10 0.00 0.00 0.69 0.00 0.00 54.13 53.77 3djc s LEU 87 Cb -0.16 -2.57 -0.00 0.00 -0.43 0.00 0.00 46.19 43.03 3djc s LEU 87 CO 0.05 -2.16 0.00 0.00 -0.29 0.00 0.00 176.35 173.95 3djc n GLN 88 N 8.84 1.64 -3.00 1.98 6.02 -1.26 -4.72 117.38 126.88 3djc n GLN 88 Ca 0.37 -1.00 -0.42 0.00 -0.01 0.00 0.00 57.00 55.93 3djc n GLN 88 Cb 0.49 0.28 -0.06 0.00 1.02 0.00 0.00 30.24 31.97 3djc n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3djc s ALA 89 N -2.24 3.37 0.00 -1.58 0.00 -1.26 -3.78 121.76 116.27 3djc s ALA 89 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3djc s ALA 89 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3djc s ALA 89 CO 0.00 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.52 3djc n GLY 90 N 4.77 1.61 3.89 0.00 0.00 -1.26 -5.13 105.19 109.07 3djc n GLY 90 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3djc n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3djc s VAL 91 N -1.40 4.82 -0.91 1.61 -7.23 -1.25 -4.98 120.40 111.06 3djc s VAL 91 Ca 0.00 0.51 -0.24 0.00 -1.81 0.00 0.00 61.98 60.43 3djc s VAL 91 Cb 0.00 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 33.13 3djc s VAL 91 CO 0.00 -0.84 1.58 -0.75 -0.31 0.00 0.00 175.10 174.78 3djc s LYS 92 N -4.60 3.19 -0.05 4.82 2.20 -1.26 -4.97 119.74 119.07 3djc s LYS 92 Ca 0.51 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 55.44 3djc s LYS 92 Cb -0.10 -5.01 -0.04 0.00 -1.51 0.00 0.00 37.83 31.17 3djc s LYS 92 CO 0.43 -2.53 0.18 0.95 -0.36 0.00 0.00 175.35 174.02 3djc s THR 93 N 6.69 5.44 -1.10 3.43 -4.23 -1.26 -4.63 115.64 119.99 3djc s THR 93 Ca 0.52 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 3djc s THR 93 Cb -0.04 -3.49 0.12 0.00 1.34 0.00 0.00 72.50 70.43 3djc s THR 93 CO -0.01 0.44 2.43 0.61 -0.54 0.00 0.00 174.62 177.55 3djc n GLY 94 N 1.35 5.09 3.54 3.99 0.00 -1.26 -4.89 105.19 113.01 3djc n GLY 94 Ca -0.14 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 3djc n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3djc s LEU 95 N -2.33 -0.61 -0.25 0.99 0.05 -1.26 -4.90 118.68 110.37 3djc s LEU 95 Ca 0.54 0.72 -0.11 0.00 0.05 0.00 0.00 54.13 55.33 3djc s LEU 95 Cb 0.23 2.39 -0.05 0.00 -2.05 0.00 0.00 46.19 46.72 3djc s LEU 95 CO -0.13 -0.52 0.18 0.21 -0.55 0.00 0.00 176.35 175.54 3djc s ASN 96 N -1.02 6.10 -0.14 1.48 3.84 -1.10 -4.98 114.94 119.12 3djc s ASN 96 Ca -0.08 0.09 -0.21 0.00 0.21 0.00 0.00 52.86 52.87 3djc s ASN 96 Cb -0.01 -2.12 -0.03 0.00 -0.55 0.00 0.00 41.25 38.54 3djc s ASN 96 CO 0.07 0.01 0.61 -0.63 -2.79 0.00 0.00 177.10 174.38 3djc s ILE 97 N 1.34 5.07 -0.39 -5.21 1.01 -1.26 -1.49 121.20 120.27 3djc s ILE 97 Ca 0.08 1.21 0.06 0.00 0.00 0.00 0.00 60.65 62.00 3djc s ILE 97 Cb -0.14 -3.94 0.52 0.00 0.01 0.00 0.00 42.46 38.91 3djc s ILE 97 CO 0.07 0.20 1.53 0.29 0.00 0.00 0.00 174.94 177.03 3djc n LYS 98 N 4.37 2.75 -1.79 2.79 4.01 0.30 -4.88 118.16 125.71 3djc n LYS 98 Ca -0.03 -2.17 -0.31 0.00 -0.51 0.00 0.00 58.31 55.29 3djc n LYS 98 Cb 0.51 -1.93 0.03 0.00 -0.51 0.00 0.00 35.03 33.12 3djc n LYS 98 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3djc s TYR 99 N -2.29 3.25 -0.03 2.13 1.51 -1.26 -4.82 117.35 115.83 3djc s TYR 99 Ca 0.39 1.41 0.28 0.00 -1.01 0.00 0.00 57.07 58.15 3djc s TYR 99 Cb 0.32 -2.85 0.98 0.00 -0.11 0.00 0.00 41.96 40.30 3djc s TYR 99 CO 0.09 -1.00 1.84 0.00 -1.11 0.00 0.00 175.55 175.37 3djc h ARG 100 N -0.29 0.00 -2.24 -0.62 3.08 -1.99 -3.38 114.38 108.93 3djc h ARG 100 Ca -0.45 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.19 3djc h ARG 100 Cb 1.20 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.91 3djc h ARG 100 CO 0.59 0.06 -0.71 1.21 -1.07 0.00 0.00 179.97 180.05 3djc s ASN 101 N -5.95 1.98 0.00 7.04 3.84 -1.26 -5.03 114.94 115.57 3djc s ASN 101 Ca 0.03 -1.37 0.03 0.00 0.21 0.00 0.00 52.86 51.76 3djc s ASN 101 Cb 0.08 0.25 0.17 0.00 -0.55 0.00 0.00 41.25 41.20 3djc s ASN 101 CO 0.60 -0.34 0.57 -2.65 -2.79 0.00 0.00 177.10 172.49 3djc n PRO 102 N 4.71 0.12 0.05 0.43 -0.02 -1.26 -0.58 135.00 138.44 3djc n PRO 102 Ca 0.04 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.64 3djc n PRO 102 Cb 0.44 -1.38 0.03 0.00 -0.02 0.00 0.00 33.50 32.57 3djc n PRO 102 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3djc n VAL 103 N -0.88 0.29 0.25 -1.45 3.14 -1.26 -4.10 118.33 114.32 3djc n VAL 103 Ca 0.02 -0.33 0.14 0.00 -2.96 0.00 0.00 64.34 61.21 3djc n VAL 103 Cb 0.01 0.01 0.33 0.00 -1.06 0.00 0.00 33.84 33.13 3djc n VAL 103 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3djc h GLU 104 N 0.00 0.00 -6.24 1.45 4.81 -1.29 -3.43 114.58 109.88 3djc h GLU 104 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 3djc h GLU 104 Cb 0.81 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 3djc h GLU 104 CO 0.00 0.00 0.67 0.08 -0.73 0.00 0.00 179.01 179.03 3djc s VAL 105 N -3.35 4.54 0.80 0.32 1.01 -1.26 -5.02 120.40 117.44 3djc s VAL 105 Ca 0.05 1.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 3djc s VAL 105 Cb 0.06 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.34 3djc s VAL 105 CO 0.63 -0.04 1.11 -0.83 0.00 0.00 0.00 175.10 175.98 3djc s GLY 106 N 1.32 1.75 0.39 4.51 0.00 -1.26 -4.91 107.32 109.11 3djc s GLY 106 Ca 0.51 0.41 0.16 0.00 0.00 0.00 0.00 44.72 45.80 3djc s GLY 106 CO 0.17 0.78 1.84 0.00 0.00 0.00 0.00 173.10 175.90 3djc h ALA 107 N -1.22 1.30 -0.01 3.20 0.00 -1.88 -2.82 119.26 117.84 3djc h ALA 107 Ca -0.44 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.00 3djc h ALA 107 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3djc h ALA 107 CO 0.49 0.43 -0.74 0.38 0.00 0.00 0.00 179.25 179.81 3djc h ASP 108 N 0.00 0.10 0.84 0.00 3.04 -1.93 -1.30 116.42 117.17 3djc h ASP 108 Ca -0.00 -0.07 -0.15 0.00 -3.24 0.00 0.00 57.03 53.56 3djc h ASP 108 Cb 0.66 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 38.89 3djc h ASP 108 CO 0.04 0.80 -0.73 0.03 -2.04 0.00 0.00 179.24 177.34 3djc h ARG 109 N 0.05 0.00 -0.02 4.15 2.47 -1.89 -1.86 114.38 117.27 3djc h ARG 109 Ca -0.01 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 3djc h ARG 109 Cb 1.30 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.62 3djc h ARG 109 CO 0.10 0.73 -0.30 0.82 0.56 0.00 0.00 179.97 181.89 3djc h ILE 110 N 0.00 1.49 -0.27 2.04 2.04 -1.46 -3.10 117.51 118.25 3djc h ILE 110 Ca -0.01 -1.87 -0.03 0.00 1.00 0.00 0.00 64.86 63.96 3djc h ILE 110 Cb 1.35 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 3djc h ILE 110 CO 0.10 0.52 0.05 0.00 0.00 0.00 0.00 178.15 178.82 3djc h ALA 111 N 0.32 1.59 -0.26 1.87 0.00 -1.22 -0.15 119.26 121.41 3djc h ALA 111 Ca -0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 3djc h ALA 111 Cb 1.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3djc h ALA 111 CO 0.06 0.31 -0.55 -0.91 0.00 0.00 0.00 179.25 178.16 3djc h ASN 112 N 0.39 0.89 -0.43 0.00 2.35 -1.44 -2.71 115.58 114.63 3djc h ASN 112 Ca 0.09 -0.48 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 3djc h ASN 112 Cb 0.18 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3djc h ASN 112 CO -0.00 1.26 -0.01 0.00 -1.65 0.00 0.00 177.43 177.02 3djc h ALA 113 N 0.76 0.58 -0.01 -0.83 0.00 -1.37 -1.29 119.26 117.10 3djc h ALA 113 Ca 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3djc h ALA 113 Cb 1.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3djc h ALA 113 CO 0.12 0.38 -0.25 0.82 0.00 0.00 0.00 179.25 180.32 3djc h ILE 114 N 0.60 0.43 -0.28 0.00 2.04 -1.06 -0.43 117.51 118.82 3djc h ILE 114 Ca 0.12 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 3djc h ILE 114 Cb 0.51 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3djc h ILE 114 CO 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.94 3djc h ALA 115 N 0.47 1.09 -0.09 1.87 0.00 -1.50 -2.38 119.26 118.72 3djc h ALA 115 Ca 0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3djc h ALA 115 Cb 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3djc h ALA 115 CO -0.23 0.56 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 3djc h ALA 116 N 1.29 0.13 0.00 0.00 0.00 -1.03 -1.79 119.26 117.86 3djc h ALA 116 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3djc h ALA 116 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3djc h ALA 116 CO 0.05 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.52 3djc n THR 117 N -4.66 0.28 -0.06 0.00 -2.24 -0.19 -1.45 114.28 105.95 3djc n THR 117 Ca -0.07 0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 3djc n THR 117 Cb 0.33 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.74 3djc n THR 117 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3djc h HIS 118 N 0.00 0.17 -0.12 4.78 6.17 -1.33 -3.33 115.15 121.48 3djc h HIS 118 Ca 0.00 -0.12 -0.16 0.00 0.71 0.00 0.00 60.37 60.79 3djc h HIS 118 Cb 0.19 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 3djc h HIS 118 CO 0.00 1.53 -0.61 0.77 0.71 0.00 0.00 177.93 180.33 3djc h SER 119 N -0.67 0.49 -3.18 3.26 0.02 -1.14 -3.37 113.55 108.96 3djc h SER 119 Ca -0.34 -0.28 -0.61 0.00 -0.84 0.00 0.00 61.79 59.72 3djc h SER 119 Cb 1.51 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.51 3djc h SER 119 CO -0.09 0.98 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.47 3djc s PHE 120 N -3.83 2.11 0.22 3.45 0.08 -0.53 -5.03 117.98 114.44 3djc s PHE 120 Ca -0.06 -2.58 -0.03 0.00 0.12 0.00 0.00 56.93 54.38 3djc s PHE 120 Cb 0.11 -1.85 0.19 0.00 -0.57 0.00 0.00 43.02 40.91 3djc s PHE 120 CO 0.83 -0.74 1.60 -1.35 -0.10 0.00 0.00 175.22 175.46 3djc h PRO 121 N 6.25 0.66 -0.53 0.24 0.11 -1.73 -3.31 132.00 133.69 3djc h PRO 121 Ca 0.08 -0.31 -0.36 0.00 0.11 0.00 0.00 66.00 65.52 3djc h PRO 121 Cb 0.89 -0.01 -0.25 0.00 0.11 0.00 0.00 31.00 31.74 3djc h PRO 121 CO 0.51 0.91 -0.38 0.09 -0.21 0.00 0.00 178.00 178.91 3djc n ASN 122 N -4.07 3.95 -4.23 -2.05 3.02 -1.26 -4.85 115.26 105.78 3djc n ASN 122 Ca -0.01 -3.80 -0.21 0.00 -0.03 0.00 0.00 54.58 50.52 3djc n ASN 122 Cb 0.48 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 39.00 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3djc s GLN 123 N -3.47 1.00 0.19 3.52 -1.52 -1.25 -4.93 119.66 113.20 3djc s GLN 123 Ca 0.48 -1.04 -0.30 0.00 -1.95 0.00 0.00 55.36 52.55 3djc s GLN 123 Cb 0.41 -1.14 -0.08 0.00 -0.22 0.00 0.00 33.01 31.98 3djc s GLN 123 CO 0.00 0.26 1.27 -0.80 -0.25 0.00 0.00 175.29 175.77 3djc s ASN 124 N -1.75 6.97 -0.09 5.90 0.01 -1.26 -4.17 114.94 120.55 3djc s ASN 124 Ca 0.03 2.33 0.03 0.00 -0.71 0.00 0.00 52.86 54.53 3djc s ASN 124 Cb -0.10 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.97 3djc s ASN 124 CO 0.03 -0.47 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.36 3djc s ILE 125 N 0.10 1.49 -0.37 0.60 1.01 0.00 -1.21 121.20 122.82 3djc s ILE 125 Ca 0.55 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 3djc s ILE 125 Cb -0.35 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 40.83 3djc s ILE 125 CO 0.37 0.44 0.18 -0.63 0.00 0.00 0.00 174.94 175.30 3djc s ILE 126 N 0.69 4.19 -0.25 2.92 1.01 -1.04 -1.20 121.20 127.53 3djc s ILE 126 Ca -0.13 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.28 3djc s ILE 126 Cb -0.16 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3djc s ILE 126 CO 0.03 -0.28 0.33 0.54 0.00 0.00 0.00 174.94 175.56 3djc s VAL 127 N 1.46 5.22 -0.20 2.92 0.11 -0.71 -1.21 120.40 127.99 3djc s VAL 127 Ca 0.01 0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 59.50 3djc s VAL 127 Cb -0.20 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 3djc s VAL 127 CO 0.04 0.21 0.05 -0.63 -3.33 0.00 0.00 175.10 171.45 3djc s ILE 128 N 1.73 4.48 -0.17 7.04 1.01 0.20 -1.73 121.20 133.76 3djc s ILE 128 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 3djc s ILE 128 Cb -0.15 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3djc s ILE 128 CO 0.09 0.42 0.02 -0.62 0.00 0.00 0.00 174.94 174.85 3djc s ASP 129 N 0.85 5.28 -0.89 3.58 3.68 -0.71 -0.04 116.67 128.42 3djc s ASP 129 Ca 0.03 -0.01 -0.01 0.00 2.13 0.00 0.00 52.55 54.69 3djc s ASP 129 Cb -0.14 -1.89 0.23 0.00 -1.45 0.00 0.00 42.92 39.67 3djc s ASP 129 CO 0.02 0.17 0.82 0.49 0.13 0.00 0.00 175.17 176.80 3djc n PHE 130 N 3.54 4.07 0.00 -5.34 3.01 0.53 -1.79 117.46 121.48 3djc n PHE 130 Ca -0.17 -4.06 0.00 0.00 1.01 0.00 0.00 57.45 54.23 3djc n PHE 130 Cb 0.52 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 3djc n PHE 130 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3djc n GLY 131 N 2.13 2.61 0.13 1.37 0.00 -1.26 -0.67 105.19 109.50 3djc n GLY 131 Ca 0.23 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3djc n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3djc h THR 132 N 0.00 1.28 -3.29 2.61 2.02 -1.98 -3.39 112.91 110.16 3djc h THR 132 Ca 0.00 -0.97 -0.64 0.00 0.77 0.00 0.00 66.41 65.56 3djc h THR 132 Cb 0.00 1.57 -0.13 0.00 -1.74 0.00 0.00 68.15 67.84 3djc h THR 132 CO 0.00 0.29 -0.69 0.00 0.37 0.00 0.00 175.52 175.49 3djc s ALA 133 N -4.80 3.13 -0.45 6.16 0.00 -1.26 -2.12 121.76 122.43 3djc s ALA 133 Ca -0.14 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 3djc s ALA 133 Cb 0.06 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.19 3djc s ALA 133 CO 0.73 0.62 0.56 0.99 0.00 0.00 0.00 175.76 178.66 3djc s THR 134 N -1.40 4.94 -0.07 0.00 2.01 -0.08 -4.49 115.64 116.55 3djc s THR 134 Ca 0.25 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 3djc s THR 134 Cb -0.11 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3djc s THR 134 CO 0.17 -0.58 -0.03 0.42 -0.69 0.00 0.00 174.62 173.91 3djc s THR 135 N 2.52 4.07 -0.16 -0.82 -4.23 -0.74 -0.22 115.64 116.06 3djc s THR 135 Ca 0.17 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.32 3djc s THR 135 Cb -0.16 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3djc s THR 135 CO 0.15 0.59 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.34 3djc s PHE 136 N -0.87 2.83 -0.07 3.99 0.40 -0.11 -1.74 117.98 122.40 3djc s PHE 136 Ca 0.13 -0.92 0.03 0.00 -0.60 0.00 0.00 56.93 55.57 3djc s PHE 136 Cb -0.11 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.51 3djc s PHE 136 CO 0.02 -0.42 -0.16 0.00 0.70 0.00 0.00 175.22 175.37 3djc s ALA 138 N 0.49 3.25 -0.07 0.00 0.00 -0.39 -1.74 121.76 123.30 3djc s ALA 138 Ca -0.14 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.68 3djc s ALA 138 Cb -0.16 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3djc s ALA 138 CO 0.05 -0.57 -0.17 0.42 0.00 0.00 0.00 175.76 175.49 3djc s ILE 139 N 1.64 1.49 0.88 0.00 1.01 -0.34 -1.80 121.20 124.08 3djc s ILE 139 Ca 0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3djc s ILE 139 Cb -0.16 -1.32 0.17 0.00 0.01 0.00 0.00 42.46 41.17 3djc s ILE 139 CO 0.05 0.43 1.22 -0.94 0.00 0.00 0.00 174.94 175.70 3djc s SER 140 N 0.48 3.56 0.47 3.58 1.04 -0.68 -0.82 113.70 121.34 3djc s SER 140 Ca -0.15 0.10 0.27 0.00 0.48 0.00 0.00 55.95 56.65 3djc s SER 140 Cb -0.16 -0.27 0.97 0.00 0.10 0.00 0.00 66.02 66.66 3djc s SER 140 CO 0.05 -2.43 1.84 1.12 0.98 0.00 0.00 173.24 174.80 3djc h HIS 141 N -1.28 0.00 -0.65 5.02 2.07 -1.91 -3.16 115.15 115.25 3djc h HIS 141 Ca -0.42 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 56.77 3djc h HIS 141 Cb 1.25 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 31.03 3djc h HIS 141 CO -0.79 0.13 0.42 1.63 -3.07 0.00 0.00 177.93 176.25 3djc n LYS 142 N -3.24 1.89 -3.65 5.12 5.02 -1.26 -4.60 118.16 117.44 3djc n LYS 142 Ca 0.01 -1.99 -0.27 0.00 -2.02 0.00 0.00 58.31 54.04 3djc n LYS 142 Cb 0.41 -1.79 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 3djc n LYS 142 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3djc n LYS 143 N -0.55 -2.09 -4.07 1.97 5.02 -1.19 -4.88 118.16 112.36 3djc n LYS 143 Ca 0.39 0.53 -0.32 0.00 -2.02 0.00 0.00 58.31 56.89 3djc n LYS 143 Cb 1.26 -4.55 -0.16 0.00 -0.02 0.00 0.00 35.03 31.57 3djc n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3djc s ALA 144 N -3.53 2.20 -0.45 7.82 0.00 -1.25 -2.70 121.76 123.85 3djc s ALA 144 Ca 0.36 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 3djc s ALA 144 Cb -0.11 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.82 3djc s ALA 144 CO 0.84 -0.53 0.95 -0.47 0.00 0.00 0.00 175.76 176.56 3djc s TYR 145 N 1.33 2.94 -1.96 0.00 5.04 -0.56 -1.68 117.35 122.46 3djc s TYR 145 Ca 0.02 0.50 0.26 0.00 -2.44 0.00 0.00 57.07 55.41 3djc s TYR 145 Cb -0.14 -3.97 0.57 0.00 0.35 0.00 0.00 41.96 38.77 3djc s TYR 145 CO -0.11 -1.07 1.45 1.28 -1.34 0.00 0.00 175.55 175.77 3djc n LEU 146 N 7.18 1.41 0.00 6.97 4.77 -0.75 0.11 117.00 136.69 3djc n LEU 146 Ca 0.07 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3djc n LEU 146 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3djc n LEU 146 CO 0.64 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3djc n GLY 147 N 1.34 -1.55 0.00 -0.72 0.00 -1.25 -4.77 105.19 98.24 3djc n GLY 147 Ca 0.12 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3djc n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djc n GLY 148 N 0.00 -0.62 3.18 -0.02 0.00 -1.26 -1.26 105.19 105.21 3djc n GLY 148 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3djc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc s ALA 149 N -1.00 1.07 -0.05 4.61 0.00 0.43 -5.00 121.76 121.81 3djc s ALA 149 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.68 3djc s ALA 149 Cb 0.00 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3djc s ALA 149 CO 0.00 -0.14 -0.05 -1.50 0.00 0.00 0.00 175.76 174.06 3djc s ILE 150 N -3.11 0.63 0.18 0.00 2.07 -1.26 -0.93 121.20 118.77 3djc s ILE 150 Ca 0.09 -0.16 0.09 0.00 -1.41 0.00 0.00 60.65 59.27 3djc s ILE 150 Cb 0.02 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 3djc s ILE 150 CO -0.02 0.25 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.37 3djc s LEU 151 N 1.00 2.86 0.37 8.50 1.43 0.69 -5.00 118.68 128.53 3djc s LEU 151 Ca -0.10 -0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 3djc s LEU 151 Cb -0.14 -1.57 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 3djc s LEU 151 CO -0.00 0.11 1.37 -2.16 0.23 0.00 0.00 176.35 175.90 3djc s PRO 152 N -2.73 4.17 0.03 1.29 0.04 -1.26 -0.90 135.00 135.63 3djc s PRO 152 Ca 0.24 2.33 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 3djc s PRO 152 Cb -0.09 -2.96 0.01 0.00 0.04 0.00 0.00 34.50 31.50 3djc s PRO 152 CO 0.14 -0.38 0.02 0.41 0.04 0.00 0.00 177.00 177.23 3djc n GLY 153 N 0.66 -2.39 0.18 0.56 0.00 -0.90 -4.27 105.19 99.02 3djc n GLY 153 Ca 0.01 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 3djc n GLY 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3djc h LEU 154 N 0.00 0.80 -0.15 0.99 3.38 -1.82 -2.61 115.31 115.89 3djc h LEU 154 Ca -0.01 -0.68 -0.23 0.00 0.09 0.00 0.00 57.88 57.05 3djc h LEU 154 Cb 0.03 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.54 3djc h LEU 154 CO 0.01 1.49 -0.93 -0.09 0.09 0.00 0.00 178.44 179.00 3djc h ARG 155 N 0.30 0.53 0.00 1.13 9.65 -1.88 -2.95 114.38 121.17 3djc h ARG 155 Ca -0.14 -0.54 -0.08 0.00 -1.10 0.00 0.00 59.98 58.12 3djc h ARG 155 Cb 1.77 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 30.48 3djc h ARG 155 CO 0.21 1.17 -0.38 -0.07 2.80 0.00 0.00 179.97 183.69 3djc h LEU 156 N 0.31 0.00 -0.01 3.80 3.38 -1.79 -2.49 115.31 118.51 3djc h LEU 156 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3djc h LEU 156 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3djc h LEU 156 CO 0.17 0.38 -0.03 0.28 0.09 0.00 0.00 178.44 179.34 3djc h SER 157 N 0.00 0.04 -0.61 -0.43 0.02 -1.49 -2.74 113.55 108.33 3djc h SER 157 Ca -0.00 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.30 3djc h SER 157 Cb 0.93 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 3djc h SER 157 CO 0.05 0.65 0.28 0.00 -1.14 0.00 0.00 176.83 176.67 3djc h ALA 158 N 0.39 0.79 0.00 3.77 0.00 -1.54 -2.76 119.26 119.92 3djc h ALA 158 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3djc h ALA 158 Cb 0.64 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3djc h ALA 158 CO 0.01 0.37 -0.05 -0.44 0.00 0.00 0.00 179.25 179.13 3djc h ASP 159 N 0.84 0.00 0.37 0.00 3.45 -1.56 -2.37 116.42 117.16 3djc h ASP 159 Ca 0.21 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.52 3djc h ASP 159 Cb 0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3djc h ASP 159 CO -0.02 0.05 -0.60 0.00 -1.57 0.00 0.00 179.24 177.10 3djc h ALA 160 N 1.95 0.86 0.00 3.45 0.00 -1.20 -2.85 119.26 121.46 3djc h ALA 160 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3djc h ALA 160 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3djc h ALA 160 CO 0.01 0.73 -0.22 -0.07 0.00 0.00 0.00 179.25 179.70 3djc h LEU 161 N 0.17 0.00 0.00 0.00 3.38 -1.22 -2.49 115.31 115.14 3djc h LEU 161 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3djc h LEU 161 Cb 1.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3djc h LEU 161 CO 0.09 0.22 -1.25 0.77 0.09 0.00 0.00 178.44 178.36 3djc h SER 162 N 0.00 0.00 0.00 -0.43 4.64 -1.48 -3.29 113.55 112.99 3djc h SER 162 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3djc h SER 162 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3djc h SER 162 CO 0.03 0.56 -1.00 0.11 -0.87 0.00 0.00 176.83 175.66 3djc h LYS 163 N 0.00 0.00 -0.00 4.77 6.56 -1.56 -3.40 116.57 122.94 3djc h LYS 163 Ca -0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3djc h LYS 163 Cb 1.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.21 3djc h LYS 163 CO 0.05 0.70 -0.08 0.09 -2.06 0.00 0.00 179.45 178.15 3djc n ASN 164 N -4.49 0.51 -3.92 0.86 3.02 -0.94 -4.59 115.26 105.70 3djc n ASN 164 Ca -0.24 -0.71 -0.30 0.00 -0.03 0.00 0.00 54.58 53.30 3djc n ASN 164 Cb 0.55 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.50 3djc n ASN 164 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 165 N -2.37 1.55 0.53 3.41 2.01 -1.24 -5.06 115.64 114.47 3djc s THR 165 Ca 0.32 -1.46 -0.21 0.00 0.31 0.00 0.00 61.69 60.66 3djc s THR 165 Cb 0.20 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 3djc s THR 165 CO 0.45 -0.29 1.17 0.00 -0.69 0.00 0.00 174.62 175.25 3djc s ALA 166 N 1.34 2.76 -1.35 7.40 0.00 -1.26 -3.28 121.76 127.38 3djc s ALA 166 Ca 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 3djc s ALA 166 Cb -0.19 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3djc s ALA 166 CO -0.10 -0.84 0.88 1.63 0.00 0.00 0.00 175.76 177.32 3djc n LYS 167 N -1.09 -6.22 -3.66 0.00 4.76 -1.26 -5.03 118.16 105.67 3djc n LYS 167 Ca 0.11 0.81 -0.22 0.00 -2.87 0.00 0.00 58.31 56.13 3djc n LYS 167 Cb 0.49 -5.63 -0.18 0.00 -1.84 0.00 0.00 35.03 27.88 3djc n LYS 167 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3djc s LEU 168 N -6.61 0.23 0.60 -0.35 0.20 -1.20 -5.14 118.68 106.41 3djc s LEU 168 Ca 0.43 -0.13 -0.06 0.00 0.69 0.00 0.00 54.13 55.06 3djc s LEU 168 Cb -0.19 -0.19 0.01 0.00 -0.43 0.00 0.00 46.19 45.40 3djc s LEU 168 CO 0.54 -0.28 0.91 -2.16 -0.29 0.00 0.00 176.35 175.07 3djc s PRO 169 N 2.15 2.83 0.21 0.98 0.05 -1.26 -4.31 135.00 135.65 3djc s PRO 169 Ca 0.04 -0.04 -0.30 0.00 0.05 0.00 0.00 61.00 60.75 3djc s PRO 169 Cb -0.13 -2.26 -0.08 0.00 0.05 0.00 0.00 34.50 32.08 3djc s PRO 169 CO -0.05 -0.76 1.05 -1.54 0.05 0.00 0.00 177.00 175.75 3djc s SER 170 N -4.33 7.37 0.29 6.66 1.04 -1.26 -4.65 113.70 118.82 3djc s SER 170 Ca 0.55 2.07 0.11 0.00 0.48 0.00 0.00 55.95 59.16 3djc s SER 170 Cb -0.11 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.35 3djc s SER 170 CO 0.45 -0.10 -0.14 0.54 0.98 0.00 0.00 173.24 174.96 3djc s VAL 171 N -0.64 2.63 0.18 5.02 0.11 -1.26 -5.13 120.40 121.31 3djc s VAL 171 Ca 0.46 -2.28 -0.15 0.00 -2.93 0.00 0.00 61.98 57.09 3djc s VAL 171 Cb -0.29 -2.46 -0.07 0.00 -1.53 0.00 0.00 36.38 32.03 3djc s VAL 171 CO 0.35 -0.36 0.59 -1.61 -3.33 0.00 0.00 175.10 170.74 3djc s GLU 172 N -3.56 4.01 -0.48 1.54 2.02 -1.26 -5.01 118.70 115.95 3djc s GLU 172 Ca 0.31 0.54 -0.20 0.00 0.02 0.00 0.00 54.97 55.64 3djc s GLU 172 Cb -0.04 -2.86 0.04 0.00 0.10 0.00 0.00 34.13 31.37 3djc s GLU 172 CO 0.16 0.43 0.65 0.42 0.02 0.00 0.00 175.26 176.94 3djc s ILE 173 N -1.55 4.83 0.29 -1.63 -1.09 -1.26 -4.88 121.20 115.91 3djc s ILE 173 Ca 0.41 -0.18 0.08 0.00 -2.23 0.00 0.00 60.65 58.73 3djc s ILE 173 Cb -0.15 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 3djc s ILE 173 CO 0.20 -0.73 -0.09 0.27 -1.23 0.00 0.00 174.94 173.35 3djc s ILE 174 N 2.79 1.92 -0.83 2.92 -0.00 -1.26 -5.07 121.20 121.66 3djc s ILE 174 Ca 0.19 -2.19 -0.25 0.00 -0.00 0.00 0.00 60.65 58.40 3djc s ILE 174 Cb -0.16 -2.45 -0.03 0.00 -0.00 0.00 0.00 42.46 39.81 3djc s ILE 174 CO 0.15 -0.31 1.88 -0.75 -0.00 0.00 0.00 174.94 175.91 3djc s LYS 175 N -3.66 2.65 0.38 0.37 2.20 -1.26 -4.92 119.74 115.50 3djc s LYS 175 Ca 0.30 -0.12 -0.26 0.00 -0.36 0.00 0.00 55.97 55.53 3djc s LYS 175 Cb 0.02 -4.89 -0.09 0.00 -1.51 0.00 0.00 37.83 31.36 3djc s LYS 175 CO 0.13 -3.12 1.13 0.99 -0.36 0.00 0.00 175.35 174.12 3djc s THR 176 N 9.43 3.32 -0.12 3.43 2.01 -1.26 -4.99 115.64 127.47 3djc s THR 176 Ca 0.67 1.12 0.04 0.00 0.31 0.00 0.00 61.69 63.83 3djc s THR 176 Cb -0.08 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 3djc s THR 176 CO 0.04 0.11 -0.06 1.21 -0.69 0.00 0.00 174.62 175.23 3djc n GLU 177 N 0.21 1.02 -3.19 4.92 4.07 -1.26 -4.92 120.64 121.49 3djc n GLU 177 Ca 0.04 0.05 -0.40 0.00 -0.06 0.00 0.00 57.16 56.79 3djc n GLU 177 Cb 0.47 -1.25 -0.06 0.00 -0.06 0.00 0.00 31.44 30.53 3djc n GLU 177 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3djc s SER 178 N -4.88 6.60 0.16 4.31 0.15 -1.26 -4.95 113.70 113.82 3djc s SER 178 Ca -0.13 0.73 0.04 0.00 0.70 0.00 0.00 55.95 57.30 3djc s SER 178 Cb 0.04 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 3djc s SER 178 CO 0.33 -0.23 1.35 1.62 1.20 0.00 0.00 173.24 177.51 3djc h VAL 179 N 5.17 1.57 -3.11 4.45 3.04 -1.94 -3.42 116.25 122.01 3djc h VAL 179 Ca -0.32 -2.88 -0.65 0.00 -1.01 0.00 0.00 66.70 61.84 3djc h VAL 179 Cb 1.15 2.60 -0.16 0.00 -2.01 0.00 0.00 31.29 32.87 3djc h VAL 179 CO 0.75 0.83 0.30 -0.69 -1.01 0.00 0.00 177.57 177.75 3djc s VAL 180 N -3.03 4.63 -0.03 1.51 1.01 -1.26 -4.84 120.40 118.39 3djc s VAL 180 Ca -0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 3djc s VAL 180 Cb 0.10 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 3djc s VAL 180 CO 0.82 -1.03 0.96 -0.83 0.00 0.00 0.00 175.10 175.02 3djc s GLY 181 N 2.98 2.77 0.00 4.51 0.00 -1.26 -4.94 107.32 111.38 3djc s GLY 181 Ca 0.21 0.47 0.24 0.00 0.00 0.00 0.00 44.72 45.64 3djc s GLY 181 CO 0.13 1.70 1.52 0.54 0.00 0.00 0.00 173.10 176.99 3djc n ARG 182 N 4.12 1.98 -3.94 2.90 1.74 -1.26 -4.66 116.66 117.54 3djc n ARG 182 Ca 0.06 -1.46 -0.09 0.00 -0.77 0.00 0.00 57.85 55.59 3djc n ARG 182 Cb 0.51 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 3djc n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3djc s SER 183 N -1.73 0.15 0.28 0.55 0.15 -1.26 -5.01 113.70 106.83 3djc s SER 183 Ca 0.34 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 56.16 3djc s SER 183 Cb 0.20 0.35 0.39 0.00 -1.71 0.00 0.00 66.02 65.25 3djc s SER 183 CO 0.30 -0.77 1.94 0.74 1.20 0.00 0.00 173.24 176.65 3djc h THR 184 N 2.74 1.20 -0.58 6.45 2.02 -1.99 0.55 112.91 123.30 3djc h THR 184 Ca -0.33 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 3djc h THR 184 Cb 1.20 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3djc h THR 184 CO 0.55 0.22 0.30 -0.29 0.37 0.00 0.00 175.52 176.66 3djc h ILE 185 N 1.19 1.18 0.00 3.11 6.09 -1.96 -2.88 117.51 124.24 3djc h ILE 185 Ca 0.35 -0.49 -0.21 0.00 -1.37 0.00 0.00 64.86 63.13 3djc h ILE 185 Cb -0.07 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 37.61 3djc h ILE 185 CO -0.09 0.21 -1.14 -0.33 -3.07 0.00 0.00 178.15 173.73 3djc h GLU 186 N 0.81 0.00 -0.45 2.19 5.08 -1.58 -3.09 114.58 117.53 3djc h GLU 186 Ca 0.20 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 3djc h GLU 186 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3djc h GLU 186 CO -0.03 0.73 -0.22 0.77 -1.00 0.00 0.00 179.01 179.26 3djc h SER 187 N 0.00 0.98 0.03 1.42 0.02 -0.90 -2.27 113.55 112.83 3djc h SER 187 Ca -0.09 -0.40 -0.16 0.00 -0.84 0.00 0.00 61.79 60.29 3djc h SER 187 Cb 1.76 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 3djc h SER 187 CO 0.10 1.16 -0.56 -0.29 -1.14 0.00 0.00 176.83 176.10 3djc h ILE 188 N 0.79 1.32 -0.59 3.27 2.10 -1.60 -1.71 117.51 121.09 3djc h ILE 188 Ca 0.10 -1.82 -0.10 0.00 1.08 0.00 0.00 64.86 64.13 3djc h ILE 188 Cb 0.79 1.79 -0.02 0.00 -1.09 0.00 0.00 36.82 38.29 3djc h ILE 188 CO 0.07 0.56 -0.00 1.56 -1.08 0.00 0.00 178.15 179.26 3djc h GLN 189 N 0.42 1.04 -0.06 2.19 4.20 -1.55 0.33 115.11 121.68 3djc h GLN 189 Ca 0.01 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 3djc h GLN 189 Cb 1.11 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3djc h GLN 189 CO 0.11 1.02 -0.63 0.77 -0.67 0.00 0.00 178.83 179.42 3djc h SER 190 N 0.95 0.27 0.02 1.46 0.02 -1.40 -2.90 113.55 111.97 3djc h SER 190 Ca 0.17 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3djc h SER 190 Cb 0.55 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3djc h SER 190 CO 0.03 0.83 -0.01 1.23 -1.14 0.00 0.00 176.83 177.77 3djc h GLY 191 N 1.51 -0.02 0.83 -3.77 0.00 -1.10 -2.29 103.07 98.23 3djc h GLY 191 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3djc h GLY 191 CO 0.10 -0.01 0.00 3.33 0.00 0.00 0.00 176.54 179.96 3djc n VAL 192 N -4.86 0.00 -0.06 4.60 0.24 0.09 -1.42 118.33 116.90 3djc n VAL 192 Ca -0.08 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 3djc n VAL 192 Cb 0.25 -0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 32.08 3djc n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3djc n TYR 193 N -0.92 0.00 1.11 6.34 9.36 -1.09 -4.44 117.16 127.52 3djc n TYR 193 Ca 0.17 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.51 3djc n TYR 193 Cb 0.08 -0.46 0.26 0.00 -0.63 0.00 0.00 39.34 38.59 3djc n TYR 193 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3djc n TYR 194 N -3.37 0.00 -0.04 2.98 4.01 -0.86 -2.54 117.16 117.34 3djc n TYR 194 Ca -0.24 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.34 3djc n TYR 194 Cb 0.69 -0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 39.44 3djc n TYR 194 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3djc h GLY 195 N 4.96 0.10 1.56 2.72 0.00 -1.40 -3.11 103.07 107.90 3djc h GLY 195 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3djc h GLY 195 CO 0.00 0.20 -0.38 -0.24 0.00 0.00 0.00 176.54 176.12 3djc h VAL 196 N -0.76 1.30 -0.73 4.60 3.04 -1.74 -1.69 116.25 120.27 3djc h VAL 196 Ca -0.03 -1.52 0.02 0.00 -1.01 0.00 0.00 66.70 64.15 3djc h VAL 196 Cb 1.10 1.55 -0.04 0.00 -2.01 0.00 0.00 31.29 31.89 3djc h VAL 196 CO 0.04 0.48 0.47 0.25 -1.01 0.00 0.00 177.57 177.79 3djc h LEU 197 N 0.41 0.79 0.00 3.16 7.12 -1.60 0.50 115.31 125.70 3djc h LEU 197 Ca 0.04 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.92 3djc h LEU 197 Cb 0.86 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.78 3djc h LEU 197 CO 0.07 0.56 -0.62 1.23 -0.13 0.00 0.00 178.44 179.55 3djc h GLY 198 N 0.94 0.00 1.82 3.75 0.00 -1.55 -2.08 103.07 105.96 3djc h GLY 198 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 3djc h GLY 198 CO -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.03 3djc h ALA 199 N 1.45 1.13 0.05 3.60 0.00 -0.53 0.09 119.26 125.05 3djc h ALA 199 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3djc h ALA 199 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3djc h ALA 199 CO 0.07 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.88 3djc h LYS 201 N -0.63 0.73 0.25 0.00 1.57 -1.28 -0.99 116.57 116.22 3djc h LYS 201 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3djc h LYS 201 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3djc h LYS 201 CO 0.01 0.48 -0.12 1.49 -0.57 0.00 0.00 179.45 180.74 3djc h GLU 202 N 0.75 -0.33 -0.90 3.15 4.57 -1.07 -3.11 114.58 117.65 3djc h GLU 202 Ca 0.46 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.68 3djc h GLU 202 Cb 0.56 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.18 3djc h GLU 202 CO -0.31 0.03 0.59 -0.07 -1.18 0.00 0.00 179.01 178.07 3djc h LEU 203 N -0.90 1.01 -0.08 1.64 -0.00 -1.35 -0.74 115.31 114.89 3djc h LEU 203 Ca -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 3djc h LEU 203 Cb 0.50 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 3djc h LEU 203 CO 0.06 0.71 0.03 0.40 -0.00 0.00 0.00 178.44 179.64 3djc h ILE 204 N 1.18 1.14 0.00 1.22 2.04 -1.31 -2.08 117.51 119.71 3djc h ILE 204 Ca 0.34 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3djc h ILE 204 Cb -0.07 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3djc h ILE 204 CO -0.09 0.12 -0.40 0.06 0.00 0.00 0.00 178.15 177.84 3djc h GLN 205 N -0.02 0.00 -0.02 2.37 3.07 -1.42 -1.96 115.11 117.12 3djc h GLN 205 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.52 3djc h GLN 205 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.74 3djc h GLN 205 CO -0.00 0.40 -0.94 0.00 0.09 0.00 0.00 178.83 178.38 3djc h ARG 206 N 0.00 0.67 -0.56 0.06 2.47 -1.12 -2.83 114.38 113.07 3djc h ARG 206 Ca -0.00 -0.70 -0.03 0.00 -1.26 0.00 0.00 59.98 57.99 3djc h ARG 206 Cb 0.98 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.46 3djc h ARG 206 CO 0.05 1.28 0.24 0.82 0.56 0.00 0.00 179.97 182.93 3djc h ILE 207 N 0.34 1.22 -0.34 2.04 2.04 -1.35 -2.21 117.51 119.25 3djc h ILE 207 Ca -0.11 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.13 3djc h ILE 207 Cb 1.60 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3djc h ILE 207 CO 0.19 0.26 0.23 -0.74 0.00 0.00 0.00 178.15 178.08 3djc h HIS 208 N 0.77 0.28 0.00 1.37 2.76 -1.39 -1.22 115.15 117.72 3djc h HIS 208 Ca 0.19 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3djc h HIS 208 Cb 0.17 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.04 3djc h HIS 208 CO 0.00 0.16 -0.88 0.72 -1.30 0.00 0.00 177.93 176.64 3djc n HIS 209 N -4.49 0.42 -0.08 5.26 8.25 -1.07 -1.03 115.22 122.48 3djc n HIS 209 Ca 0.03 0.12 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 3djc n HIS 209 Cb 0.19 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 30.71 3djc n HIS 209 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3djc n GLU 210 N -2.07 0.47 0.16 -0.41 1.02 -0.85 -3.56 120.64 115.40 3djc n GLU 210 Ca 0.02 0.19 0.04 0.00 -0.02 0.00 0.00 57.16 57.40 3djc n GLU 210 Cb 0.45 -1.31 0.05 0.00 -0.02 0.00 0.00 31.44 30.61 3djc n GLU 210 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3djc h ALA 211 N -0.86 0.74 0.00 0.62 0.00 -1.49 -3.37 119.26 114.90 3djc h ALA 211 Ca -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3djc h ALA 211 Cb 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3djc h ALA 211 CO -0.09 0.50 -0.27 1.19 0.00 0.00 0.00 179.25 180.57 3djc n PHE 212 N -3.20 0.00 -3.84 0.00 0.99 -1.22 -5.06 117.46 105.13 3djc n PHE 212 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.23 3djc n PHE 212 Cb 0.69 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 39.10 3djc n PHE 212 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3djc n ASN 213 N -0.89 0.49 0.00 4.37 0.23 -0.20 -2.30 115.26 116.96 3djc n ASN 213 Ca 0.00 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 3djc n ASN 213 Cb 0.00 -1.18 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3djc n GLY 214 N -2.04 0.94 3.85 4.83 0.00 -0.72 -4.95 105.19 107.09 3djc n GLY 214 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3djc n GLY 214 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3djc s ASP 215 N -2.15 4.26 0.14 1.61 -0.00 -0.97 -5.01 116.67 114.54 3djc s ASP 215 Ca 0.00 0.95 -0.31 0.00 -0.00 0.00 0.00 52.55 53.19 3djc s ASP 215 Cb 0.00 -1.54 -0.09 0.00 -0.00 0.00 0.00 42.92 41.30 3djc s ASP 215 CO 0.00 -2.08 1.47 -1.10 -0.00 0.00 0.00 175.17 173.46 3djc s GLN 216 N -5.40 4.27 0.13 8.23 -1.52 -1.26 -5.04 119.66 119.08 3djc s GLN 216 Ca 0.62 2.21 0.06 0.00 -1.95 0.00 0.00 55.36 56.29 3djc s GLN 216 Cb -0.13 -3.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 3djc s GLN 216 CO 0.51 -0.52 -0.13 0.96 -0.25 0.00 0.00 175.29 175.87 3djc s ILE 217 N 1.13 1.31 -0.15 1.08 -4.36 -1.26 -4.23 121.20 114.72 3djc s ILE 217 Ca 0.67 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 3djc s ILE 217 Cb -0.40 -1.64 0.02 0.00 1.25 0.00 0.00 42.46 41.69 3djc s ILE 217 CO 0.31 -0.51 -0.16 -0.22 0.24 0.00 0.00 174.94 174.59 3djc s LEU 218 N -2.69 1.80 -0.14 0.37 2.96 -0.35 -4.99 118.68 115.64 3djc s LEU 218 Ca 0.12 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.31 3djc s LEU 218 Cb -0.03 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3djc s LEU 218 CO 0.03 -0.03 0.58 -0.63 -1.32 0.00 0.00 176.35 174.98 3djc s ILE 219 N 1.33 5.09 -0.12 6.68 1.01 -1.26 -2.48 121.20 131.45 3djc s ILE 219 Ca 0.03 1.13 0.02 0.00 0.00 0.00 0.00 60.65 61.83 3djc s ILE 219 Cb -0.13 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.44 3djc s ILE 219 CO -0.09 0.22 -0.19 -0.76 0.00 0.00 0.00 174.94 174.12 3djc s LEU 220 N 1.20 1.96 -0.01 2.97 1.02 -0.35 -1.41 118.68 124.05 3djc s LEU 220 Ca 0.29 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.93 3djc s LEU 220 Cb -0.16 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.72 3djc s LEU 220 CO 0.12 0.06 -0.03 0.00 0.02 0.00 0.00 176.35 176.52 3djc s ALA 221 N 0.83 3.15 0.26 4.21 0.00 0.33 -0.63 121.76 129.91 3djc s ALA 221 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3djc s ALA 221 Cb -0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3djc s ALA 221 CO -0.01 0.62 0.25 -0.08 0.00 0.00 0.00 175.76 176.55 3djc s THR 222 N -1.01 0.00 0.00 0.00 -1.32 0.95 -0.45 115.64 113.81 3djc s THR 222 Ca 0.17 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 3djc s THR 222 Cb -0.11 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 3djc s THR 222 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 3djc n GLY 223 N -0.42 2.03 0.20 6.08 0.00 -1.26 -0.35 105.19 111.47 3djc n GLY 223 Ca 0.03 -2.02 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 3djc n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3djc h GLY 224 N 0.00 0.47 -2.42 -0.02 0.00 -1.26 -3.05 103.07 96.79 3djc h GLY 224 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3djc h GLY 224 CO 0.00 0.48 0.00 0.69 0.00 0.00 0.00 176.54 177.71 3djc n PHE 225 N -3.95 1.02 0.20 5.60 3.01 -0.69 -4.40 117.46 118.25 3djc n PHE 225 Ca -0.03 -0.45 0.08 0.00 1.01 0.00 0.00 57.45 58.07 3djc n PHE 225 Cb 0.58 -0.11 0.33 0.00 -0.01 0.00 0.00 39.48 40.27 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3djc h ALA 226 N 3.99 0.93 0.00 4.37 0.00 -1.73 -3.27 119.26 123.54 3djc h ALA 226 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3djc h ALA 226 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3djc h ALA 226 CO 0.10 0.33 0.00 0.77 0.00 0.00 0.00 179.25 180.45 3djc h SER 227 N 0.00 0.00 0.69 0.00 0.02 -1.80 -3.16 113.55 109.31 3djc h SER 227 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3djc h SER 227 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3djc h SER 227 CO 0.03 0.00 -0.09 0.18 -1.14 0.00 0.00 176.83 175.81 3djc n LEU 228 N -2.87 0.17 -0.52 5.07 4.77 -1.24 -3.67 117.00 118.71 3djc n LEU 228 Ca 0.01 0.28 0.07 0.00 -0.03 0.00 0.00 56.01 56.33 3djc n LEU 228 Cb 0.26 -0.35 0.20 0.00 -2.33 0.00 0.00 43.42 41.20 3djc n LEU 228 CO 0.24 0.04 0.39 0.49 -1.33 0.00 0.00 177.39 177.22 3djc n PHE 229 N -1.33 0.00 -0.06 -1.77 3.72 -1.19 -4.72 117.46 112.11 3djc n PHE 229 Ca 0.10 -1.42 -0.13 0.00 -0.05 0.00 0.00 57.45 55.96 3djc n PHE 229 Cb 0.30 -0.23 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 3djc n PHE 229 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3djc h ASP 230 N 0.84 0.40 0.30 4.37 1.82 -1.76 -3.31 116.42 119.08 3djc h ASP 230 Ca -0.00 -0.43 -0.02 0.00 -0.39 0.00 0.00 57.03 56.19 3djc h ASP 230 Cb 1.00 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.90 3djc h ASP 230 CO 0.00 0.74 -0.11 0.50 -1.61 0.00 0.00 179.24 178.76 3djc h LYS 231 N 0.06 0.00 -0.14 0.28 1.63 -1.88 -3.32 116.57 113.20 3djc h LYS 231 Ca 0.04 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 3djc h LYS 231 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 3djc h LYS 231 CO 0.03 0.11 -0.28 1.96 -3.45 0.00 0.00 179.45 177.82 3djc h GLN 232 N 0.00 0.43 -1.01 1.90 1.08 -1.93 -3.47 115.11 112.11 3djc h GLN 232 Ca -0.00 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3djc h GLN 232 Cb 0.29 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3djc h GLN 232 CO 0.01 0.89 0.00 0.41 -0.95 0.00 0.00 178.83 179.19 3djc n GLY 233 N 0.43 0.67 0.09 3.46 0.00 -1.25 -5.01 105.19 103.58 3djc n GLY 233 Ca -0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 3djc n GLY 233 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3djc n LEU 234 N -0.50 0.19 -4.06 0.99 7.94 -1.26 -4.96 117.00 115.34 3djc n LEU 234 Ca 0.00 0.09 -0.12 0.00 -1.11 0.00 0.00 56.01 54.87 3djc n LEU 234 Cb 0.31 0.39 -0.11 0.00 0.53 0.00 0.00 43.42 44.54 3djc n LEU 234 CO 0.00 0.43 -0.39 -0.72 -1.11 0.00 0.00 177.39 175.60 3djc s TYR 235 N -2.59 0.62 -0.06 1.96 1.13 -1.26 -4.99 117.35 112.15 3djc s TYR 235 Ca -0.09 -0.54 -0.14 0.00 -1.41 0.00 0.00 57.07 54.89 3djc s TYR 235 Cb 0.07 -0.38 -0.09 0.00 -1.10 0.00 0.00 41.96 40.47 3djc s TYR 235 CO 0.83 -0.11 0.56 -0.44 -2.51 0.00 0.00 175.55 173.88 3djc h ASP 236 N 4.40 -0.29 -3.62 -0.18 3.32 -1.75 -3.47 116.42 114.84 3djc h ASP 236 Ca -0.35 -0.10 -0.67 0.00 0.02 0.00 0.00 57.03 55.93 3djc h ASP 236 Cb 1.20 0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.64 3djc h ASP 236 CO 0.43 0.20 -0.80 -1.00 -1.72 0.00 0.00 179.24 176.35 3djc s HIS 237 N -2.94 2.51 -0.29 4.55 3.76 -0.50 -5.04 115.29 117.33 3djc s HIS 237 Ca -0.08 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 3djc s HIS 237 Cb 0.00 -1.31 0.06 0.00 1.11 0.00 0.00 32.58 32.45 3djc s HIS 237 CO 0.26 0.41 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.35 3djc s LEU 238 N -2.26 3.89 -0.61 0.89 0.20 -1.26 -0.51 118.68 119.03 3djc s LEU 238 Ca 0.19 -1.48 -0.01 0.00 0.69 0.00 0.00 54.13 53.51 3djc s LEU 238 Cb -0.10 -1.64 0.16 0.00 -0.43 0.00 0.00 46.19 44.18 3djc s LEU 238 CO 0.10 -0.26 0.41 -0.69 -0.29 0.00 0.00 176.35 175.62 3djc s VAL 239 N 1.14 3.48 0.57 1.68 1.01 0.41 -4.97 120.40 123.71 3djc s VAL 239 Ca -0.04 -3.06 0.38 0.00 0.00 0.00 0.00 61.98 59.27 3djc s VAL 239 Cb -0.20 -3.29 0.41 0.00 0.00 0.00 0.00 36.38 33.29 3djc s VAL 239 CO -0.04 -0.86 2.28 1.55 0.00 0.00 0.00 175.10 178.03 3djc h PRO 240 N 6.89 0.00 -0.01 2.72 0.13 -1.93 -2.94 132.00 136.86 3djc h PRO 240 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3djc h PRO 240 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 3djc h PRO 240 CO 0.71 0.01 -0.31 -0.40 -0.23 0.00 0.00 178.00 177.77 3djc n ASP 241 N -3.33 1.97 0.07 1.44 5.68 -1.26 -4.62 116.55 116.49 3djc n ASP 241 Ca -0.03 -3.62 0.06 0.00 -0.50 0.00 0.00 54.79 50.70 3djc n ASP 241 Cb 0.11 -0.50 0.49 0.00 -1.14 0.00 0.00 41.12 40.08 3djc n ASP 241 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3djc h LEU 242 N 0.66 0.33 -0.22 -2.12 5.85 -1.92 -1.09 115.31 116.81 3djc h LEU 242 Ca 0.00 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 3djc h LEU 242 Cb 1.02 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.97 3djc h LEU 242 CO 0.01 0.24 -0.69 1.62 -0.34 0.00 0.00 178.44 179.28 3djc h VAL 243 N 0.39 1.27 0.00 1.05 3.04 -1.87 -2.98 116.25 117.15 3djc h VAL 243 Ca 0.12 -1.87 -0.08 0.00 -1.01 0.00 0.00 66.70 63.85 3djc h VAL 243 Cb 0.01 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 3djc h VAL 243 CO -0.03 0.60 -0.39 -0.07 -1.01 0.00 0.00 177.57 176.68 3djc h LEU 244 N 0.60 0.00 -0.04 3.16 3.38 -1.81 -3.00 115.31 117.60 3djc h LEU 244 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3djc h LEU 244 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3djc h LEU 244 CO 0.15 0.39 -0.05 1.56 0.09 0.00 0.00 178.44 180.57 3djc h GLN 245 N 0.00 0.10 0.00 1.13 4.20 -1.25 -3.29 115.11 116.00 3djc h GLN 245 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3djc h GLN 245 Cb 0.93 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3djc h GLN 245 CO 0.05 0.60 0.00 0.78 -0.67 0.00 0.00 178.83 179.59 3djc h GLY 246 N -0.40 0.00 1.37 3.46 0.00 -1.46 -1.65 103.07 104.39 3djc h GLY 246 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3djc h GLY 246 CO 0.01 0.00 -0.66 -2.22 0.00 0.00 0.00 176.54 173.67 3djc h ILE 247 N 0.00 1.31 -0.46 2.60 2.04 -1.62 -2.56 117.51 118.82 3djc h ILE 247 Ca 0.00 -1.92 -0.12 0.00 1.00 0.00 0.00 64.86 63.81 3djc h ILE 247 Cb 0.37 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3djc h ILE 247 CO 0.00 0.60 -0.20 -0.09 0.00 0.00 0.00 178.15 178.46 3djc h ARG 248 N 0.46 0.94 -0.08 2.37 2.43 -1.38 -1.92 114.38 117.21 3djc h ARG 248 Ca -0.02 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 58.63 3djc h ARG 248 Cb 1.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3djc h ARG 248 CO 0.13 1.07 -0.50 -0.07 -1.51 0.00 0.00 179.97 179.08 3djc h LEU 249 N 0.79 0.23 -0.30 3.80 -0.00 -1.49 -1.62 115.31 116.72 3djc h LEU 249 Ca 0.11 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.88 57.70 3djc h LEU 249 Cb 0.77 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.34 3djc h LEU 249 CO 0.06 0.69 -0.83 0.00 -0.00 0.00 0.00 178.44 178.36 3djc h ALA 250 N 1.31 0.60 -0.20 1.53 0.00 -1.41 -1.59 119.26 119.50 3djc h ALA 250 Ca 0.01 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 3djc h ALA 250 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3djc h ALA 250 CO 0.08 1.04 -0.49 0.00 0.00 0.00 0.00 179.25 179.87 3djc h ALA 251 N 1.17 0.78 -0.55 0.00 0.00 -1.23 -2.80 119.26 116.64 3djc h ALA 251 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3djc h ALA 251 Cb 1.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3djc h ALA 251 CO 0.11 0.67 -0.11 1.98 0.00 0.00 0.00 179.25 181.90 3djc h MET 252 N 0.42 1.04 0.00 0.00 -1.53 -1.19 -0.80 114.93 112.87 3djc h MET 252 Ca 0.02 -0.39 0.00 0.00 -3.44 0.00 0.00 59.70 55.89 3djc h MET 252 Cb 1.01 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 32.00 3djc h MET 252 CO 0.09 1.08 0.00 0.52 0.14 0.00 0.00 176.91 178.74 3djc h MET 253 N 0.92 0.00 0.00 0.39 2.86 -1.23 -3.26 114.93 114.62 3djc h MET 253 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3djc h MET 253 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3djc h MET 253 CO 0.05 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.11 3djc n ASN 254 N -3.04 1.43 -0.05 1.22 3.02 -1.06 -4.83 115.26 111.94 3djc n ASN 254 Ca 0.00 -1.48 0.16 0.00 -0.03 0.00 0.00 54.58 53.23 3djc n ASN 254 Cb 0.27 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.34 3djc n ASN 254 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71