#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djc s LEU 1 N 0.00 4.11 0.34 -3.43 1.02 -1.25 -4.30 118.68 115.16 3djc s LEU 1 Ca 0.00 0.59 -0.06 0.00 0.02 0.00 0.00 54.13 54.68 3djc s LEU 1 Cb 0.00 -2.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.18 3djc s LEU 1 CO 0.00 -0.55 0.63 -0.51 0.02 0.00 0.00 176.35 175.94 3djc s ILE 2 N 2.81 4.96 -0.08 -0.59 2.07 -0.96 -1.38 121.20 128.03 3djc s ILE 2 Ca 0.30 0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.74 3djc s ILE 2 Cb -0.14 -3.75 0.01 0.00 0.13 0.00 0.00 42.46 38.70 3djc s ILE 2 CO 0.12 -0.44 -0.18 -0.22 -1.91 0.00 0.00 174.94 172.32 3djc s LEU 3 N -3.79 1.85 0.00 8.50 2.96 0.16 -2.04 118.68 126.33 3djc s LEU 3 Ca 0.46 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 3djc s LEU 3 Cb -0.10 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3djc s LEU 3 CO 0.32 0.09 -0.19 0.00 -1.32 0.00 0.00 176.35 175.25 3djc s ILE 5 N -0.79 0.47 -0.37 0.00 1.01 -0.86 -2.10 121.20 118.56 3djc s ILE 5 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 3djc s ILE 5 Cb -0.10 -0.50 0.08 0.00 0.01 0.00 0.00 42.46 41.94 3djc s ILE 5 CO 0.02 0.21 0.14 -0.62 0.00 0.00 0.00 174.94 174.69 3djc s ASP 6 N 0.88 5.24 -0.95 3.58 2.15 0.29 -0.28 116.67 127.59 3djc s ASP 6 Ca -0.11 -1.58 -0.21 0.00 0.43 0.00 0.00 52.55 51.07 3djc s ASP 6 Cb -0.14 -1.84 0.08 0.00 -0.30 0.00 0.00 42.92 40.73 3djc s ASP 6 CO -0.00 -0.43 1.27 -0.69 -0.17 0.00 0.00 175.17 175.15 3djc s VAL 7 N 1.27 4.28 0.34 1.11 1.01 0.12 -1.20 120.40 127.33 3djc s VAL 7 Ca 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.02 3djc s VAL 7 Cb -0.21 -4.91 0.06 0.00 0.00 0.00 0.00 36.38 31.31 3djc s VAL 7 CO -0.01 -1.72 0.46 0.61 0.00 0.00 0.00 175.10 174.44 3djc n GLY 8 N 6.13 1.96 0.13 4.51 0.00 -0.41 -2.16 105.19 115.33 3djc n GLY 8 Ca 0.25 -2.19 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 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 0.06 0.59 0.01 1.61 4.21 -1.95 -3.37 115.58 116.73 3djc h ASN 9 Ca -0.16 -0.68 -0.00 0.00 1.21 0.00 0.00 56.30 56.67 3djc h ASN 9 Cb 0.73 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3djc h ASN 9 CO 0.23 1.54 -0.00 0.77 -1.29 0.00 0.00 177.43 178.68 3djc h SER 10 N 0.10 -0.01 -5.05 5.81 4.64 -1.97 -3.43 113.55 113.64 3djc h SER 10 Ca -0.22 -0.78 -0.16 0.00 -0.47 0.00 0.00 61.79 60.16 3djc h SER 10 Cb 2.07 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 64.00 3djc h SER 10 CO 0.22 0.87 -0.69 -1.00 -0.87 0.00 0.00 176.83 175.37 3djc s HIS 11 N -2.19 0.57 -0.33 4.77 3.76 -1.26 -4.15 115.29 116.45 3djc s HIS 11 Ca -0.15 -0.94 -0.18 0.00 -0.15 0.00 0.00 55.06 53.64 3djc s HIS 11 Cb -0.02 -0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.27 3djc s HIS 11 CO 0.56 -0.29 0.50 0.42 -0.85 0.00 0.00 174.74 175.08 3djc s ILE 12 N -3.42 5.03 -0.18 0.60 1.01 0.23 -1.29 121.20 123.19 3djc s ILE 12 Ca 0.04 0.42 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 3djc s ILE 12 Cb 0.04 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3djc s ILE 12 CO -0.07 -0.15 -0.15 -0.47 0.00 0.00 0.00 174.94 174.10 3djc s TYR 13 N 2.36 2.81 0.30 3.97 5.04 -0.34 -0.64 117.35 130.85 3djc s TYR 13 Ca 0.19 -1.22 0.11 0.00 -2.44 0.00 0.00 57.07 53.70 3djc s TYR 13 Cb -0.15 -1.94 -0.05 0.00 0.35 0.00 0.00 41.96 40.16 3djc s TYR 13 CO 0.13 -0.60 -0.16 0.20 -1.34 0.00 0.00 175.55 173.78 3djc s GLY 14 N 1.10 1.97 -0.30 8.97 0.00 -0.11 -0.55 107.32 118.40 3djc s GLY 14 Ca 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 44.72 42.64 3djc s GLY 14 CO -0.05 -1.98 0.84 -0.32 0.00 0.00 0.00 173.10 171.59 3djc s GLY 15 N -3.53 -0.40 -0.25 0.20 0.00 -0.89 -1.53 107.32 100.92 3djc s GLY 15 Ca 0.31 2.76 -0.21 0.00 0.00 0.00 0.00 44.72 47.57 3djc s GLY 15 CO 0.15 3.00 0.68 0.54 0.00 0.00 0.00 173.10 177.48 3djc s VAL 16 N 2.37 4.94 -0.23 1.40 0.11 -0.54 -2.55 120.40 125.91 3djc s VAL 16 Ca -0.05 1.24 -0.14 0.00 -2.93 0.00 0.00 61.98 60.10 3djc s VAL 16 Cb -0.08 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 3djc s VAL 16 CO -0.18 -0.00 0.31 -0.36 -3.33 0.00 0.00 175.10 171.54 3djc s PHE 17 N 2.60 3.32 -1.06 1.54 0.40 -0.86 -2.16 117.98 121.76 3djc s PHE 17 Ca 0.28 0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 56.90 3djc s PHE 17 Cb -0.15 -2.45 0.18 0.00 0.51 0.00 0.00 43.02 41.11 3djc s PHE 17 CO 0.08 -0.03 1.20 0.34 0.70 0.00 0.00 175.22 177.51 3djc s ASP 18 N 1.19 6.93 0.32 1.36 3.68 -1.05 -2.25 116.67 126.84 3djc s ASP 18 Ca 0.14 -2.74 0.00 0.00 2.13 0.00 0.00 52.55 52.08 3djc s ASP 18 Cb -0.15 -2.35 0.00 0.00 -1.45 0.00 0.00 42.92 38.98 3djc s ASP 18 CO 0.07 -0.76 0.00 0.61 0.13 0.00 0.00 175.17 175.22 3djc n GLY 19 N 4.34 1.41 0.13 2.66 0.00 -1.26 -3.59 105.19 108.88 3djc n GLY 19 Ca 0.28 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 6.95 1.98 -4.71 1.61 4.64 -1.26 -4.98 116.55 120.78 3djc n ASP 20 Ca 0.00 -0.12 -0.35 0.00 -1.38 0.00 0.00 54.79 52.94 3djc n ASP 20 Cb 0.00 -0.43 -0.08 0.00 -1.04 0.00 0.00 41.12 39.56 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 -2.52 3.86 -0.21 -0.67 1.03 -1.24 -5.03 118.70 113.93 3djc s GLU 21 Ca -0.35 -0.27 -0.29 0.00 0.03 0.00 0.00 54.97 54.09 3djc s GLU 21 Cb 0.09 -3.24 -0.02 0.00 -0.80 0.00 0.00 34.13 30.17 3djc s GLU 21 CO 0.60 0.41 1.39 0.42 -1.33 0.00 0.00 175.26 176.75 3djc s ILE 22 N -0.00 4.04 -0.14 1.83 1.01 -1.26 -2.53 121.20 124.14 3djc s ILE 22 Ca 0.08 1.22 0.16 0.00 0.00 0.00 0.00 60.65 62.11 3djc s ILE 22 Cb -0.12 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3djc s ILE 22 CO 0.00 -0.27 1.11 0.11 0.00 0.00 0.00 174.94 175.90 3djc h LYS 23 N 9.21 0.00 -2.39 2.79 1.57 -1.82 -3.48 116.57 122.46 3djc h LYS 23 Ca -0.29 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 3djc h LYS 23 Cb 1.12 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.20 3djc h LYS 23 CO 0.99 0.37 -0.08 -1.17 -0.57 0.00 0.00 179.45 178.99 3djc s LEU 24 N -6.06 -0.18 0.11 2.94 2.96 -1.25 -5.05 118.68 112.15 3djc s LEU 24 Ca 0.00 1.13 0.08 0.00 -0.22 0.00 0.00 54.13 55.12 3djc s LEU 24 Cb 0.08 1.90 -0.04 0.00 0.50 0.00 0.00 46.19 48.63 3djc s LEU 24 CO 0.78 -0.20 -0.20 0.00 -1.32 0.00 0.00 176.35 175.41 3djc s ARG 25 N 0.48 1.13 0.15 1.98 3.03 -1.26 -1.46 118.95 122.99 3djc s ARG 25 Ca -0.01 -1.18 -0.04 0.00 2.03 0.00 0.00 55.73 56.52 3djc s ARG 25 Cb -0.04 -1.37 -0.03 0.00 -1.03 0.00 0.00 34.95 32.48 3djc s ARG 25 CO -0.02 0.31 0.15 -0.59 -1.13 0.00 0.00 175.30 174.03 3djc s PHE 26 N -1.26 0.66 0.01 5.89 -0.71 -0.58 -4.98 117.98 117.01 3djc s PHE 26 Ca 0.07 -1.03 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 3djc s PHE 26 Cb -0.10 -0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 3djc s PHE 26 CO 0.04 -0.61 -0.02 0.50 -1.34 0.00 0.00 175.22 173.80 3djc s ARG 27 N -4.01 0.18 0.07 1.99 3.52 -1.26 -0.94 118.95 118.49 3djc s ARG 27 Ca 0.21 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 3djc s ARG 27 Cb 0.06 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 3djc s ARG 27 CO 0.01 0.01 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.86 3djc s HIS 28 N -0.50 0.72 0.19 5.12 2.46 0.19 -4.98 115.29 118.49 3djc s HIS 28 Ca -0.05 -0.73 -0.30 0.00 0.47 0.00 0.00 55.06 54.45 3djc s HIS 28 Cb -0.04 -0.44 -0.08 0.00 -0.13 0.00 0.00 32.58 31.90 3djc s HIS 28 CO -0.00 -0.15 1.12 0.99 -2.47 0.00 0.00 174.74 174.23 3djc s THR 29 N -2.58 3.75 -0.89 0.89 2.01 -1.26 0.77 115.64 118.33 3djc s THR 29 Ca 0.01 1.53 -0.25 0.00 0.31 0.00 0.00 61.69 63.29 3djc s THR 29 Cb -0.02 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.54 3djc s THR 29 CO -0.03 0.27 1.46 -0.94 -0.69 0.00 0.00 174.62 174.70 3djc s SER 30 N -0.16 6.18 0.00 3.53 1.04 -1.26 -4.62 113.70 118.42 3djc s SER 30 Ca 0.49 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3djc s SER 30 Cb -0.30 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.25 3djc s SER 30 CO 0.36 -1.79 0.00 0.29 0.98 0.00 0.00 173.24 173.08 3djc n LYS 31 N 9.07 3.88 -3.35 4.02 5.02 -1.26 -5.00 118.16 130.55 3djc n LYS 31 Ca 0.23 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.09 3djc n LYS 31 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.42 3djc n LYS 31 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3djc s VAL 32 N 1.13 5.12 0.07 -0.18 0.11 -1.26 -4.83 120.40 120.55 3djc s VAL 32 Ca 0.00 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 3djc s VAL 32 Cb 0.00 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.82 3djc s VAL 32 CO 0.00 -0.37 -0.09 -0.44 -3.33 0.00 0.00 175.10 170.87 3djc s SER 33 N 1.78 1.11 0.43 3.54 0.01 -1.26 -5.15 113.70 114.16 3djc s SER 33 Ca 0.11 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.70 3djc s SER 33 Cb -0.17 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 3djc s SER 33 CO 0.13 -0.25 0.63 0.42 0.41 0.00 0.00 173.24 174.58 3djc s THR 34 N -1.99 3.87 0.08 1.44 -4.23 -1.26 -4.84 115.64 108.70 3djc s THR 34 Ca -0.02 -0.65 0.33 0.00 -1.18 0.00 0.00 61.69 60.17 3djc s THR 34 Cb -0.06 -3.41 0.36 0.00 1.34 0.00 0.00 72.50 70.73 3djc s THR 34 CO -0.00 -0.25 1.99 0.77 -0.54 0.00 0.00 174.62 176.58 3djc h SER 35 N 0.49 0.00 0.14 3.99 4.64 -1.94 -0.74 113.55 120.13 3djc h SER 35 Ca -0.45 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.60 3djc h SER 35 Cb 1.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3djc h SER 35 CO 0.55 0.00 -1.32 0.44 -0.87 0.00 0.00 176.83 175.64 3djc h ASP 36 N 0.00 0.46 -0.47 4.97 3.32 -1.94 -2.22 116.42 120.53 3djc h ASP 36 Ca 0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 57.03 56.16 3djc h ASP 36 Cb 0.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3djc h ASP 36 CO 0.00 1.59 0.27 -0.33 -1.72 0.00 0.00 179.24 179.06 3djc h GLU 37 N -0.25 0.65 0.00 3.56 5.08 -1.83 0.43 114.58 122.22 3djc h GLU 37 Ca -0.27 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 57.92 3djc h GLU 37 Cb 1.80 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 3djc h GLU 37 CO 0.11 0.49 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.04 3djc h LEU 38 N 0.63 0.00 0.11 1.33 3.38 -1.32 -2.36 115.31 117.08 3djc h LEU 38 Ca 0.17 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 3djc h LEU 38 Cb 0.02 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.80 3djc h LEU 38 CO -0.03 0.50 -1.13 1.23 0.09 0.00 0.00 178.44 179.10 3djc h GLY 39 N 1.80 0.64 1.16 0.83 0.00 -0.82 -2.16 103.07 104.52 3djc h GLY 39 Ca -0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 47.33 45.92 3djc h GLY 39 CO 0.06 1.18 0.14 -2.22 0.00 0.00 0.00 176.54 175.70 3djc h ILE 40 N 0.16 1.26 0.33 2.60 1.08 -0.22 -3.04 117.51 119.67 3djc h ILE 40 Ca -0.17 -0.96 -0.02 0.00 -0.39 0.00 0.00 64.86 63.32 3djc h ILE 40 Cb 1.82 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 3djc h ILE 40 CO 0.22 0.36 -0.16 0.15 -0.69 0.00 0.00 178.15 178.03 3djc h PHE 41 N 0.99 -0.41 -0.39 1.37 3.57 -1.45 -2.37 116.94 118.24 3djc h PHE 41 Ca 0.20 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3djc h PHE 41 Cb 0.38 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3djc h PHE 41 CO 0.03 -0.14 0.26 -0.07 -2.23 0.00 0.00 178.31 176.16 3djc h LEU 42 N -0.64 0.43 -0.01 0.59 3.38 -1.43 0.12 115.31 117.75 3djc h LEU 42 Ca -0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3djc h LEU 42 Cb 0.46 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3djc h LEU 42 CO 0.07 0.31 -0.54 0.11 0.09 0.00 0.00 178.44 178.48 3djc h LYS 43 N 0.51 0.38 -0.37 1.13 1.57 -1.57 -3.15 116.57 115.06 3djc h LYS 43 Ca 0.15 -0.40 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 3djc h LYS 43 Cb -0.03 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3djc h LYS 43 CO -0.03 1.07 -0.04 1.03 -0.57 0.00 0.00 179.45 180.91 3djc h SER 44 N -0.15 0.68 0.18 0.86 0.87 -0.98 -1.55 113.55 113.46 3djc h SER 44 Ca -0.07 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 3djc h SER 44 Cb 1.26 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3djc h SER 44 CO 0.11 0.85 -0.12 1.62 -0.53 0.00 0.00 176.83 178.76 3djc h VAL 45 N 0.50 0.88 0.05 2.23 3.04 -0.90 -1.40 116.25 120.66 3djc h VAL 45 Ca 0.10 -0.43 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3djc h VAL 45 Cb 0.52 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3djc h VAL 45 CO 0.03 0.12 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.61 3djc h LEU 46 N 0.00 -0.05 -0.88 3.16 3.38 -1.49 -3.36 115.31 116.07 3djc h LEU 46 Ca -0.00 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.52 3djc h LEU 46 Cb 0.24 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3djc h LEU 46 CO 0.02 0.66 0.55 -0.09 0.09 0.00 0.00 178.44 179.67 3djc h ARG 47 N -0.95 0.98 0.00 1.13 2.43 -0.91 -2.34 114.38 114.72 3djc h ARG 47 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3djc h ARG 47 Cb 0.56 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3djc h ARG 47 CO 0.01 0.65 0.00 0.39 -1.51 0.00 0.00 179.97 179.51 3djc n GLU 48 N -4.60 0.01 -2.21 0.20 -0.58 -0.55 -3.35 120.64 109.57 3djc n GLU 48 Ca 0.13 0.18 -0.28 0.00 -0.42 0.00 0.00 57.16 56.77 3djc n GLU 48 Cb 0.17 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.53 5.29 -3.67 1.62 3.02 -0.90 -4.94 115.26 114.14 3djc n ASN 49 Ca 0.04 -3.75 -0.27 0.00 -0.03 0.00 0.00 54.58 50.58 3djc n ASN 49 Cb 0.22 -0.53 0.04 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.58 -5.49 -3.44 6.41 5.03 -1.21 -4.98 115.26 111.00 3djc n ASN 50 Ca 0.44 -0.61 -0.19 0.00 0.87 0.00 0.00 54.58 55.08 3djc n ASN 50 Cb 0.70 -4.36 -0.11 0.00 -1.02 0.00 0.00 39.78 34.99 3djc n ASN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djc s SER 52 N 2.33 6.47 0.52 0.00 0.01 -1.26 -2.39 113.70 119.38 3djc s SER 52 Ca 0.09 2.79 0.22 0.00 1.31 0.00 0.00 55.95 60.36 3djc s SER 52 Cb -0.15 -2.61 1.39 0.00 0.21 0.00 0.00 66.02 64.86 3djc s SER 52 CO -0.29 -0.88 2.12 -0.65 0.41 0.00 0.00 173.24 173.95 3djc h PRO 53 N 6.01 0.00 0.00 12.44 0.11 -1.91 -2.94 132.00 145.71 3djc h PRO 53 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3djc h PRO 53 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3djc h PRO 53 CO 0.87 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 179.14 3djc n GLU 54 N -4.08 0.89 -0.00 1.05 4.71 -1.26 -3.00 120.64 118.96 3djc n GLU 54 Ca -0.03 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.23 3djc n GLU 54 Cb 0.17 -1.25 -0.14 0.00 -1.01 0.00 0.00 31.44 29.21 3djc n GLU 54 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3djc n THR 55 N -0.75 0.00 -2.29 2.62 -1.04 -1.11 -4.92 114.28 106.80 3djc n THR 55 Ca 0.11 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 3djc n THR 55 Cb 0.05 0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 69.09 3djc n THR 55 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3djc s ILE 56 N -3.22 3.97 -0.09 12.58 -1.09 -1.16 -3.97 121.20 128.22 3djc s ILE 56 Ca 0.01 1.12 0.19 0.00 -2.23 0.00 0.00 60.65 59.73 3djc s ILE 56 Cb 0.15 -3.92 -0.28 0.00 -1.58 0.00 0.00 42.46 36.83 3djc s ILE 56 CO 0.88 -0.32 0.30 -1.14 -1.23 0.00 0.00 174.94 173.43 3djc n ARG 57 N 7.30 0.75 -3.86 2.79 3.00 -0.48 -4.98 116.66 121.19 3djc n ARG 57 Ca 0.16 -0.12 -0.12 0.00 -0.00 0.00 0.00 57.85 57.78 3djc n ARG 57 Cb 0.46 -1.47 -0.11 0.00 0.00 0.00 0.00 32.46 31.33 3djc n ARG 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3djc s LYS 58 N -3.03 0.33 -0.07 -0.14 2.20 -1.22 -4.98 119.74 112.84 3djc s LYS 58 Ca -0.08 -0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 3djc s LYS 58 Cb 0.10 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 3djc s LYS 58 CO 0.80 -0.07 -0.18 0.42 -0.36 0.00 0.00 175.35 175.96 3djc s ILE 59 N -0.72 1.55 -0.01 5.43 1.01 -1.26 -0.66 121.20 126.54 3djc s ILE 59 Ca -0.08 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3djc s ILE 59 Cb -0.05 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3djc s ILE 59 CO 0.01 0.44 -0.26 0.00 0.00 0.00 0.00 174.94 175.13 3djc s ALA 60 N 0.29 2.15 -0.05 9.38 0.00 0.75 -0.80 121.76 133.48 3djc s ALA 60 Ca -0.11 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.75 3djc s ALA 60 Cb -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3djc s ALA 60 CO 0.05 0.52 -0.16 0.42 0.00 0.00 0.00 175.76 176.59 3djc s ILE 61 N -0.64 1.37 -0.03 0.00 1.01 0.26 -2.03 121.20 121.14 3djc s ILE 61 Ca 0.10 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.16 3djc s ILE 61 Cb -0.10 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 3djc s ILE 61 CO -0.00 0.40 -0.23 0.00 0.00 0.00 0.00 174.94 175.11 3djc s SER 63 N -0.41 -0.22 0.00 0.00 1.04 -1.26 -0.70 113.70 112.15 3djc s SER 63 Ca 0.05 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3djc s SER 63 Cb -0.10 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3djc s SER 63 CO 0.00 -0.46 0.38 0.55 0.98 0.00 0.00 173.24 174.69 3djc n VAL 64 N 1.22 0.00 -3.84 5.02 3.14 -0.92 -4.27 118.33 118.68 3djc n VAL 64 Ca -0.21 -0.43 -0.36 0.00 -2.96 0.00 0.00 64.34 60.38 3djc n VAL 64 Cb 0.56 1.12 -0.13 0.00 -1.06 0.00 0.00 33.84 34.33 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 -0.11 3.16 -0.17 1.55 1.01 -1.23 -4.99 120.40 119.62 3djc s VAL 65 Ca 0.00 -1.70 0.29 0.00 0.00 0.00 0.00 61.98 60.57 3djc s VAL 65 Cb 0.00 -2.99 0.33 0.00 0.00 0.00 0.00 36.38 33.71 3djc s VAL 65 CO 0.00 -0.40 1.86 -0.65 0.00 0.00 0.00 175.10 175.91 3djc h PRO 66 N 8.02 0.00 0.00 2.72 0.11 -1.94 -3.17 132.00 137.74 3djc h PRO 66 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3djc h PRO 66 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3djc h PRO 66 CO 0.61 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.44 3djc n GLN 67 N -2.69 0.15 -0.06 1.05 6.02 -1.26 -2.88 117.38 117.71 3djc n GLN 67 Ca 0.01 0.15 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 3djc n GLN 67 Cb 0.27 -1.68 0.10 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.94 0.24 -0.02 5.09 0.31 -1.20 -4.75 118.33 116.07 3djc n VAL 68 Ca 0.06 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.64 3djc n VAL 68 Cb 0.37 1.11 -0.10 0.00 -0.91 0.00 0.00 33.84 34.31 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 2.85 -0.00 -0.61 4.52 3.32 -1.64 -2.84 116.42 122.02 3djc h ASP 69 Ca 0.00 -0.52 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 3djc h ASP 69 Cb 0.66 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3djc h ASP 69 CO 0.00 0.52 0.15 0.22 -1.72 0.00 0.00 179.24 178.41 3djc h TYR 70 N -0.52 1.04 0.00 4.55 3.20 -1.85 -2.74 116.97 120.64 3djc h TYR 70 Ca -0.00 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 3djc h TYR 70 Cb 0.52 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3djc h TYR 70 CO 0.11 0.86 -0.12 1.03 -1.64 0.00 0.00 178.16 178.40 3djc h SER 71 N 0.96 0.00 0.33 -2.11 0.87 -1.87 -1.32 113.55 110.40 3djc h SER 71 Ca 0.20 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.44 3djc h SER 71 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3djc h SER 71 CO 0.00 0.12 -1.77 0.25 -0.53 0.00 0.00 176.83 174.90 3djc h LEU 72 N 0.00 0.31 -0.67 2.23 5.85 -1.49 -2.76 115.31 118.76 3djc h LEU 72 Ca -0.00 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 3djc h LEU 72 Cb 1.03 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3djc h LEU 72 CO 0.02 1.50 0.37 -0.09 -0.34 0.00 0.00 178.44 179.90 3djc h ARG 73 N 0.05 0.94 0.00 1.25 2.43 -1.47 -2.27 114.38 115.31 3djc h ARG 73 Ca -0.33 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 3djc h ARG 73 Cb 2.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.38 3djc h ARG 73 CO 0.11 0.71 -0.50 1.03 -1.51 0.00 0.00 179.97 179.81 3djc h SER 74 N 0.92 0.00 -0.08 -3.80 0.87 -1.36 -2.75 113.55 107.35 3djc h SER 74 Ca 0.24 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3djc h SER 74 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3djc h SER 74 CO -0.04 0.50 -0.31 0.00 -0.53 0.00 0.00 176.83 176.46 3djc h ALA 75 N 1.50 0.97 -0.18 6.23 0.00 -1.28 -2.98 119.26 123.51 3djc h ALA 75 Ca -0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 3djc h ALA 75 Cb 0.96 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3djc h ALA 75 CO 0.07 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.32 3djc h VAL 77 N 0.42 0.00 0.00 0.00 -1.51 -1.45 -2.34 116.25 111.36 3djc h VAL 77 Ca -0.03 -0.42 -0.06 0.00 -1.23 0.00 0.00 66.70 64.97 3djc h VAL 77 Cb 1.22 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 3djc h VAL 77 CO 0.13 0.00 -0.90 1.17 -1.23 0.00 0.00 177.57 176.73 3djc n LYS 78 N -2.44 0.50 0.00 5.19 4.81 -1.13 -4.27 118.16 120.82 3djc n LYS 78 Ca 0.03 0.40 0.13 0.00 -0.87 0.00 0.00 58.31 58.00 3djc n LYS 78 Cb 0.33 -1.59 0.37 0.00 0.02 0.00 0.00 35.03 34.16 3djc n LYS 78 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3djc n TYR 79 N -4.52 0.00 0.00 5.64 4.01 -0.58 -4.21 117.16 117.50 3djc n TYR 79 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3djc n TYR 79 Cb 0.44 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.04 0.00 -3.85 -0.72 3.01 -1.03 -5.03 117.46 108.80 3djc n PHE 80 Ca 0.10 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.28 3djc n PHE 80 Cb 0.33 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 -0.24 -3.90 -3.94 4.37 7.64 -0.91 -5.01 113.62 111.62 3djc n SER 81 Ca 0.00 -0.78 -0.28 0.00 1.01 0.00 0.00 58.87 58.82 3djc n SER 81 Cb 0.00 -3.97 -0.17 0.00 -1.01 0.00 0.00 64.21 59.06 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 -3.40 1.20 -0.42 0.44 1.01 -1.04 -4.99 121.20 113.99 3djc s ILE 82 Ca 0.48 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3djc s ILE 82 Cb -0.24 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.06 3djc s ILE 82 CO 0.82 0.39 1.27 -0.62 0.00 0.00 0.00 174.94 176.80 3djc s ASP 83 N 1.64 6.53 0.62 3.58 3.68 -1.26 -3.20 116.67 128.26 3djc s ASP 83 Ca 0.05 0.74 -0.16 0.00 2.13 0.00 0.00 52.55 55.31 3djc s ASP 83 Cb -0.13 -2.54 -0.02 0.00 -1.45 0.00 0.00 42.92 38.78 3djc s ASP 83 CO -0.09 -1.29 1.10 -2.16 0.13 0.00 0.00 175.17 172.86 3djc s PRO 84 N 4.57 3.05 -0.08 4.34 0.04 -1.26 -4.88 135.00 140.79 3djc s PRO 84 Ca 0.54 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 3djc s PRO 84 Cb -0.11 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3djc s PRO 84 CO 0.30 -1.05 1.32 0.12 0.04 0.00 0.00 177.00 177.73 3djc s PHE 85 N -2.25 2.86 -0.29 0.56 5.36 0.02 -4.91 117.98 119.33 3djc s PHE 85 Ca 0.67 0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 57.46 3djc s PHE 85 Cb -0.20 -3.56 -0.04 0.00 -0.34 0.00 0.00 43.02 38.87 3djc s PHE 85 CO 0.37 -2.00 0.22 -0.51 -1.46 0.00 0.00 175.22 171.84 3djc s LEU 86 N 2.86 4.12 -1.09 6.12 2.01 -1.26 0.90 118.68 132.34 3djc s LEU 86 Ca 0.59 -0.05 -0.22 0.00 0.01 0.00 0.00 54.13 54.46 3djc s LEU 86 Cb -0.26 -2.16 0.00 0.00 0.01 0.00 0.00 46.19 43.78 3djc s LEU 86 CO 0.22 -0.10 1.75 -0.22 1.01 0.00 0.00 176.35 179.00 3djc s LEU 87 N 1.79 3.40 0.32 1.79 2.96 0.18 -4.91 118.68 124.22 3djc s LEU 87 Ca 0.08 -1.54 0.04 0.00 -0.22 0.00 0.00 54.13 52.48 3djc s LEU 87 Cb -0.16 -2.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.89 3djc s LEU 87 CO 0.11 -2.08 0.06 -1.10 -1.32 0.00 0.00 176.35 172.02 3djc s GLN 88 N 5.63 1.64 -0.14 1.98 -0.21 -1.26 -4.68 119.66 122.62 3djc s GLN 88 Ca 0.59 -1.91 -0.26 0.00 0.02 0.00 0.00 55.36 53.80 3djc s GLN 88 Cb -0.01 -0.81 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 3djc s GLN 88 CO 0.02 -0.20 0.85 0.00 -2.12 0.00 0.00 175.29 173.83 3djc s ALA 89 N -3.33 3.45 -0.30 6.09 0.00 -1.26 -1.87 121.76 124.54 3djc s ALA 89 Ca 0.36 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.45 3djc s ALA 89 Cb 0.09 -3.23 0.09 0.00 0.00 0.00 0.00 23.12 20.07 3djc s ALA 89 CO 0.15 -0.54 0.08 0.20 0.00 0.00 0.00 175.76 175.65 3djc s GLY 90 N 1.09 1.17 0.68 0.00 0.00 -1.26 -5.15 107.32 103.84 3djc s GLY 90 Ca 0.40 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.38 3djc s GLY 90 CO 0.15 1.47 0.93 3.33 0.00 0.00 0.00 173.10 178.97 3djc n VAL 91 N 4.77 0.00 -2.47 1.40 0.24 -0.78 -5.03 118.33 116.46 3djc n VAL 91 Ca -0.02 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.34 60.74 3djc n VAL 91 Cb 0.43 -1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 31.56 3djc n VAL 91 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3djc s LYS 92 N -4.92 4.35 0.00 7.34 2.20 -1.26 -4.87 119.74 122.58 3djc s LYS 92 Ca 0.57 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 3djc s LYS 92 Cb -0.03 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3djc s LYS 92 CO 0.39 -0.45 0.00 0.25 -0.36 0.00 0.00 175.35 175.18 3djc n THR 93 N 4.65 0.00 -0.95 3.43 -2.24 -1.26 -4.79 114.28 113.11 3djc n THR 93 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3djc n THR 93 Cb 0.46 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3djc n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3djc n GLY 94 N 2.41 0.51 3.33 3.38 0.00 -1.26 -4.89 105.19 108.67 3djc n GLY 94 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3djc n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3djc s LEU 95 N 0.00 2.12 -0.58 0.99 1.43 -1.26 -4.88 118.68 116.49 3djc s LEU 95 Ca 0.00 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 3djc s LEU 95 Cb 0.00 -1.29 0.13 0.00 0.03 0.00 0.00 46.19 45.06 3djc s LEU 95 CO 0.00 0.28 0.60 0.20 0.23 0.00 0.00 176.35 177.66 3djc s ASN 96 N -1.00 6.23 -0.13 2.29 -0.87 -0.89 -4.93 114.94 115.64 3djc s ASN 96 Ca 0.11 -1.73 -0.29 0.00 -1.57 0.00 0.00 52.86 49.38 3djc s ASN 96 Cb -0.10 -2.25 -0.02 0.00 -0.02 0.00 0.00 41.25 38.86 3djc s ASN 96 CO 0.01 -0.94 1.30 -0.63 -2.57 0.00 0.00 177.10 174.28 3djc s ILE 97 N 1.92 4.18 -1.99 0.60 1.01 -1.26 -1.58 121.20 124.07 3djc s ILE 97 Ca 0.08 1.44 0.17 0.00 0.00 0.00 0.00 60.65 62.34 3djc s ILE 97 Cb -0.26 -3.93 0.50 0.00 0.01 0.00 0.00 42.46 38.78 3djc s ILE 97 CO 0.03 -0.11 1.41 0.29 0.00 0.00 0.00 174.94 176.57 3djc n LYS 98 N 6.46 2.31 -1.51 2.79 4.01 0.38 -4.93 118.16 127.66 3djc n LYS 98 Ca 0.14 -2.03 -0.32 0.00 -0.51 0.00 0.00 58.31 55.59 3djc n LYS 98 Cb 0.45 -1.44 0.07 0.00 -0.51 0.00 0.00 35.03 33.60 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 -1.25 2.51 0.06 2.13 1.51 -1.26 -4.93 117.35 116.12 3djc s TYR 99 Ca 0.38 1.57 -0.21 0.00 -1.01 0.00 0.00 57.07 57.79 3djc s TYR 99 Cb 0.20 -3.16 -0.12 0.00 -0.11 0.00 0.00 41.96 38.77 3djc s TYR 99 CO 0.26 -1.85 1.51 0.00 -1.11 0.00 0.00 175.55 174.35 3djc h ARG 100 N -0.47 0.26 -4.68 -0.62 -0.00 -1.97 -3.38 114.38 103.51 3djc h ARG 100 Ca -0.46 -0.08 -0.69 0.00 -0.50 0.00 0.00 59.98 58.26 3djc h ARG 100 Cb 1.25 -0.03 -0.31 0.00 0.00 0.00 0.00 29.97 30.88 3djc h ARG 100 CO 0.52 0.46 -0.63 1.21 0.00 0.00 0.00 179.97 181.53 3djc s ASN 101 N -5.73 5.13 0.50 7.04 2.47 -1.26 -4.98 114.94 118.11 3djc s ASN 101 Ca -0.14 -1.33 0.34 0.00 0.42 0.00 0.00 52.86 52.14 3djc s ASN 101 Cb 0.06 -1.80 1.60 0.00 -1.45 0.00 0.00 41.25 39.66 3djc s ASN 101 CO 0.71 -0.33 2.01 -0.65 -3.72 0.00 0.00 177.10 175.12 3djc h PRO 102 N 8.11 0.00 0.00 0.43 0.11 -1.92 -2.58 132.00 136.14 3djc h PRO 102 Ca -0.21 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.85 3djc h PRO 102 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3djc h PRO 102 CO 0.59 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 178.40 3djc h VAL 103 N 0.00 0.47 -0.11 3.15 2.07 -1.96 -3.24 116.25 116.63 3djc h VAL 103 Ca 0.00 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 3djc h VAL 103 Cb 0.26 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3djc h VAL 103 CO 0.00 0.25 -0.12 -0.33 0.02 0.00 0.00 177.57 177.39 3djc h GLU 104 N 0.00 0.18 -6.27 1.57 5.08 -1.89 -3.41 114.58 109.83 3djc h GLU 104 Ca -0.00 -0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 57.77 3djc h GLU 104 Cb 1.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3djc h GLU 104 CO 0.03 0.31 1.09 0.08 -1.00 0.00 0.00 179.01 179.52 3djc s VAL 105 N -4.74 3.55 0.61 3.13 1.01 -1.22 -4.98 120.40 117.76 3djc s VAL 105 Ca -0.05 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 3djc s VAL 105 Cb 0.16 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3djc s VAL 105 CO 0.72 -0.06 1.21 -0.83 0.00 0.00 0.00 175.10 176.14 3djc s GLY 106 N 3.32 2.68 0.50 4.51 0.00 -1.26 -4.91 107.32 112.17 3djc s GLY 106 Ca 0.74 0.99 0.25 0.00 0.00 0.00 0.00 44.72 46.70 3djc s GLY 106 CO 0.30 1.39 2.03 0.00 0.00 0.00 0.00 173.10 176.82 3djc h ALA 107 N 0.70 1.31 -0.01 3.20 0.00 -1.86 -2.49 119.26 120.10 3djc h ALA 107 Ca -0.50 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 3djc h ALA 107 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3djc h ALA 107 CO 0.54 0.18 -0.62 0.38 0.00 0.00 0.00 179.25 179.74 3djc h ASP 108 N 0.00 0.05 0.75 0.00 2.03 -1.92 -0.26 116.42 117.06 3djc h ASP 108 Ca -0.00 -0.03 -0.21 0.00 -0.73 0.00 0.00 57.03 56.07 3djc h ASP 108 Cb 0.38 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 3djc h ASP 108 CO 0.02 0.65 -0.94 0.03 -1.03 0.00 0.00 179.24 177.97 3djc h ARG 109 N 0.03 0.11 -0.40 4.15 2.47 -1.84 -2.49 114.38 116.41 3djc h ARG 109 Ca -0.01 -0.15 -0.13 0.00 -1.26 0.00 0.00 59.98 58.44 3djc h ARG 109 Cb 1.10 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 3djc h ARG 109 CO 0.08 0.97 -0.25 0.82 0.56 0.00 0.00 179.97 182.16 3djc h ILE 110 N 0.05 1.28 -0.19 2.04 2.04 -1.37 -2.20 117.51 119.16 3djc h ILE 110 Ca -0.04 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.34 3djc h ILE 110 Cb 1.62 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3djc h ILE 110 CO 0.14 0.47 -0.24 0.00 0.00 0.00 0.00 178.15 178.51 3djc h ALA 111 N 0.80 1.25 0.23 1.87 0.00 -1.03 0.29 119.26 122.66 3djc h ALA 111 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3djc h ALA 111 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3djc h ALA 111 CO 0.07 0.50 -0.11 -0.91 0.00 0.00 0.00 179.25 178.80 3djc h ASN 112 N 0.30 -0.26 0.03 0.00 -0.26 -1.43 -2.45 115.58 111.51 3djc h ASN 112 Ca 0.05 -0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 3djc h ASN 112 Cb 0.60 0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.92 3djc h ASN 112 CO 0.04 0.03 -0.02 0.00 -1.06 0.00 0.00 177.43 176.42 3djc h ALA 113 N 0.13 1.74 -0.02 -0.83 0.00 -1.15 0.19 119.26 119.32 3djc h ALA 113 Ca -0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3djc h ALA 113 Cb 0.42 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3djc h ALA 113 CO 0.05 0.03 -0.46 0.82 0.00 0.00 0.00 179.25 179.69 3djc h ILE 114 N 0.00 1.45 -0.11 0.00 2.04 -0.94 -3.13 117.51 116.83 3djc h ILE 114 Ca -0.00 -1.97 -0.17 0.00 1.00 0.00 0.00 64.86 63.72 3djc h ILE 114 Cb 0.04 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3djc h ILE 114 CO 0.00 0.56 -0.66 0.00 0.00 0.00 0.00 178.15 178.06 3djc h ALA 115 N 0.33 0.66 -0.12 1.87 0.00 -1.12 -2.91 119.26 117.97 3djc h ALA 115 Ca -0.05 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 3djc h ALA 115 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3djc h ALA 115 CO 0.09 0.73 -0.31 0.00 0.00 0.00 0.00 179.25 179.76 3djc h ALA 116 N 0.98 1.26 -0.08 0.00 0.00 -0.76 -1.10 119.26 119.55 3djc h ALA 116 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3djc h ALA 116 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3djc h ALA 116 CO 0.11 0.50 0.00 0.25 0.00 0.00 0.00 179.25 180.12 3djc n THR 117 N -4.11 0.07 -0.14 0.00 -2.24 -1.18 -2.11 114.28 104.57 3djc n THR 117 Ca -0.01 -0.43 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 3djc n THR 117 Cb 0.40 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 3djc n THR 117 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3djc n HIS 118 N 0.87 0.00 0.12 4.78 -0.00 -1.09 -3.84 115.22 116.07 3djc n HIS 118 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.87 3djc n HIS 118 Cb 0.49 -1.00 0.21 0.00 -0.00 0.00 0.00 29.99 29.70 3djc n HIS 118 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3djc h SER 119 N -0.87 0.14 -2.10 0.26 0.02 -1.34 -3.35 113.55 106.31 3djc h SER 119 Ca -0.69 -0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 59.62 3djc h SER 119 Cb 1.65 -0.04 -0.41 0.00 0.14 0.00 0.00 62.40 63.75 3djc h SER 119 CO -0.39 0.62 -0.88 0.49 -1.14 0.00 0.00 176.83 175.54 3djc n PHE 120 N -3.94 1.63 -0.33 3.45 3.72 -0.90 -5.05 117.46 116.05 3djc n PHE 120 Ca -0.02 -3.86 0.14 0.00 -0.05 0.00 0.00 57.45 53.66 3djc n PHE 120 Cb 0.53 -0.45 0.32 0.00 -0.94 0.00 0.00 39.48 38.94 3djc n PHE 120 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3djc h PRO 121 N 3.88 0.56 -0.50 -1.08 0.11 -1.71 -3.30 132.00 129.96 3djc h PRO 121 Ca 0.13 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.84 3djc h PRO 121 Cb 0.77 -0.13 -0.33 0.00 0.11 0.00 0.00 31.00 31.43 3djc h PRO 121 CO 0.64 0.37 -0.80 0.09 -0.21 0.00 0.00 178.00 178.09 3djc n ASN 122 N -4.90 3.56 -4.20 -2.05 4.13 -1.26 -4.91 115.26 105.62 3djc n ASN 122 Ca 0.23 -3.46 -0.17 0.00 1.68 0.00 0.00 54.58 52.85 3djc n ASN 122 Cb 0.63 -0.40 -0.11 0.00 -1.54 0.00 0.00 39.78 38.36 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3djc s GLN 123 N -3.36 0.92 0.13 3.52 -0.21 -1.24 -4.91 119.66 114.50 3djc s GLN 123 Ca 0.44 -1.12 -0.31 0.00 0.02 0.00 0.00 55.36 54.40 3djc s GLN 123 Cb 0.39 -0.81 -0.08 0.00 1.00 0.00 0.00 33.01 33.51 3djc s GLN 123 CO -0.01 0.16 1.30 -0.80 -2.12 0.00 0.00 175.29 173.82 3djc s ASN 124 N -2.19 6.94 -0.09 5.90 0.01 -1.26 -3.78 114.94 120.47 3djc s ASN 124 Ca 0.04 2.25 0.03 0.00 -0.71 0.00 0.00 52.86 54.48 3djc s ASN 124 Cb -0.06 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3djc s ASN 124 CO 0.02 -0.54 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.25 3djc s ILE 125 N 0.72 1.69 -0.23 0.60 1.01 0.12 -1.19 121.20 123.93 3djc s ILE 125 Ca 0.60 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 3djc s ILE 125 Cb -0.34 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3djc s ILE 125 CO 0.33 0.48 0.36 -0.63 0.00 0.00 0.00 174.94 175.47 3djc s ILE 126 N 0.53 5.21 -0.17 2.92 1.01 -0.92 -0.12 121.20 129.67 3djc s ILE 126 Ca -0.16 0.59 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 3djc s ILE 126 Cb -0.17 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3djc s ILE 126 CO 0.06 0.24 0.02 0.54 0.00 0.00 0.00 174.94 175.80 3djc s VAL 127 N 1.51 4.44 -0.20 2.92 0.11 0.14 -0.65 120.40 128.67 3djc s VAL 127 Ca 0.16 -0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3djc s VAL 127 Cb -0.15 -2.98 -0.00 0.00 -1.53 0.00 0.00 36.38 31.72 3djc s VAL 127 CO 0.08 0.48 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.61 3djc s ILE 128 N 0.29 2.99 -0.35 7.04 1.01 0.14 -1.01 121.20 131.32 3djc s ILE 128 Ca 0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3djc s ILE 128 Cb -0.13 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3djc s ILE 128 CO 0.01 0.47 0.19 -0.62 0.00 0.00 0.00 174.94 174.99 3djc s ASP 129 N 1.25 5.72 -1.23 3.58 3.68 -0.42 -0.95 116.67 128.30 3djc s ASP 129 Ca 0.03 -0.73 -0.07 0.00 2.13 0.00 0.00 52.55 53.91 3djc s ASP 129 Cb -0.14 -2.04 0.20 0.00 -1.45 0.00 0.00 42.92 39.49 3djc s ASP 129 CO -0.04 -0.29 1.87 0.49 0.13 0.00 0.00 175.17 177.33 3djc n PHE 130 N 5.01 2.68 0.00 -5.34 3.01 0.43 -2.12 117.46 121.13 3djc n PHE 130 Ca -0.13 -2.72 0.00 0.00 1.01 0.00 0.00 57.45 55.61 3djc n PHE 130 Cb 0.48 -1.71 0.00 0.00 -0.01 0.00 0.00 39.48 38.23 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 2.07 1.14 0.11 1.37 0.00 -1.26 -0.71 105.19 107.91 3djc n GLY 131 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 1.44 -0.96 2.61 2.02 -1.98 -3.42 112.91 112.61 3djc h THR 132 Ca 0.00 -1.58 -0.47 0.00 0.77 0.00 0.00 66.41 65.12 3djc h THR 132 Cb 0.00 2.31 0.03 0.00 -1.74 0.00 0.00 68.15 68.75 3djc h THR 132 CO 0.00 0.44 -0.14 0.00 0.37 0.00 0.00 175.52 176.19 3djc s ALA 133 N -3.76 4.66 -0.70 6.16 0.00 -1.26 -1.70 121.76 125.16 3djc s ALA 133 Ca -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 49.82 3djc s ALA 133 Cb 0.03 -1.50 0.17 0.00 0.00 0.00 0.00 23.12 21.82 3djc s ALA 133 CO 0.74 -0.70 0.51 0.99 0.00 0.00 0.00 175.76 177.30 3djc s THR 134 N -2.58 3.27 0.16 0.00 2.01 0.10 -4.31 115.64 114.29 3djc s THR 134 Ca 0.60 -3.85 -0.19 0.00 0.31 0.00 0.00 61.69 58.56 3djc s THR 134 Cb -0.07 -3.13 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 3djc s THR 134 CO 0.37 -0.97 0.65 0.42 -0.69 0.00 0.00 174.62 174.41 3djc s THR 135 N -1.04 4.66 -0.07 -0.82 -4.23 -0.90 -2.30 115.64 110.93 3djc s THR 135 Ca 0.23 1.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.98 3djc s THR 135 Cb -0.11 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 69.86 3djc s THR 135 CO -0.11 0.32 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.72 3djc s PHE 136 N -1.38 2.21 -0.03 3.99 0.40 0.59 -1.30 117.98 122.45 3djc s PHE 136 Ca 0.38 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3djc s PHE 136 Cb -0.18 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 41.91 3djc s PHE 136 CO 0.21 -0.27 0.01 0.00 0.70 0.00 0.00 175.22 175.87 3djc s ALA 138 N 1.13 3.60 -0.06 0.00 0.00 -0.45 -0.69 121.76 125.30 3djc s ALA 138 Ca -0.08 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3djc s ALA 138 Cb -0.13 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.63 3djc s ALA 138 CO -0.02 0.11 -0.09 0.42 0.00 0.00 0.00 175.76 176.17 3djc s ILE 139 N 0.42 0.92 0.84 0.00 1.01 0.84 -1.47 121.20 123.75 3djc s ILE 139 Ca 0.16 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 3djc s ILE 139 Cb -0.13 -0.86 0.09 0.00 0.01 0.00 0.00 42.46 41.57 3djc s ILE 139 CO 0.03 0.31 1.09 -0.94 0.00 0.00 0.00 174.94 175.43 3djc s SER 140 N 0.77 4.03 0.58 3.58 1.04 -0.61 0.13 113.70 123.22 3djc s SER 140 Ca -0.13 1.52 0.36 0.00 0.48 0.00 0.00 55.95 58.18 3djc s SER 140 Cb -0.15 -2.23 1.59 0.00 0.10 0.00 0.00 66.02 65.32 3djc s SER 140 CO 0.02 -2.29 2.07 1.12 0.98 0.00 0.00 173.24 175.14 3djc h HIS 141 N -1.31 0.00 -0.20 5.02 2.07 -1.91 -2.39 115.15 116.43 3djc h HIS 141 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3djc h HIS 141 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 3djc h HIS 141 CO 0.48 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.97 3djc n LYS 142 N -3.09 2.00 -2.95 5.12 5.02 -1.26 -4.61 118.16 118.39 3djc n LYS 142 Ca -0.00 -0.95 -0.17 0.00 -2.02 0.00 0.00 58.31 55.17 3djc n LYS 142 Cb 0.26 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.20 -4.27 -3.59 1.97 5.02 -0.90 -4.89 118.16 111.69 3djc n LYS 143 Ca 0.09 0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 3djc n LYS 143 Cb 0.43 -5.05 -0.11 0.00 -0.02 0.00 0.00 35.03 30.28 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 -3.07 3.37 -0.52 7.82 0.00 -1.25 -2.09 121.76 126.01 3djc s ALA 144 Ca 0.28 -1.47 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 3djc s ALA 144 Cb -0.12 -2.55 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 3djc s ALA 144 CO 0.35 -1.05 1.60 -0.47 0.00 0.00 0.00 175.76 176.19 3djc s TYR 145 N 1.64 2.04 0.04 0.00 5.04 -0.62 -1.57 117.35 123.94 3djc s TYR 145 Ca 0.05 0.59 -0.14 0.00 -2.44 0.00 0.00 57.07 55.12 3djc s TYR 145 Cb -0.18 -4.26 -0.33 0.00 0.35 0.00 0.00 41.96 37.55 3djc s TYR 145 CO 0.08 -2.25 1.05 -0.07 -1.34 0.00 0.00 175.55 173.01 3djc h LEU 146 N 13.97 0.83 0.00 6.97 3.38 -1.51 0.11 115.31 139.05 3djc h LEU 146 Ca -0.28 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.85 3djc h LEU 146 Cb 1.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3djc h LEU 146 CO 1.15 1.65 0.00 0.61 0.09 0.00 0.00 178.44 181.94 3djc n GLY 147 N 1.59 0.41 0.00 0.83 0.00 -1.23 -4.42 105.19 102.37 3djc n GLY 147 Ca -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.55 3.01 -0.02 0.00 -1.26 -1.34 105.19 105.02 3djc n GLY 148 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 0.23 -0.11 4.61 0.00 0.01 -4.99 121.76 120.50 3djc s ALA 149 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3djc s ALA 149 Cb 0.00 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3djc s ALA 149 CO 0.00 -0.17 -0.03 0.42 0.00 0.00 0.00 175.76 175.98 3djc s ILE 150 N -1.80 0.72 0.31 0.00 1.01 -1.26 -0.30 121.20 119.87 3djc s ILE 150 Ca -0.12 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.42 3djc s ILE 150 Cb -0.07 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 3djc s ILE 150 CO -0.02 0.23 0.04 -0.76 0.00 0.00 0.00 174.94 174.43 3djc s LEU 151 N 1.82 3.14 0.66 2.97 1.43 -0.97 -4.97 118.68 122.75 3djc s LEU 151 Ca 0.04 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 3djc s LEU 151 Cb -0.13 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3djc s LEU 151 CO -0.07 -0.16 1.06 -2.84 0.23 0.00 0.00 176.35 174.57 3djc s PRO 152 N -3.74 3.09 0.73 1.29 0.02 -1.26 0.02 135.00 135.15 3djc s PRO 152 Ca 0.34 1.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.29 3djc s PRO 152 Cb -0.03 -2.01 0.18 0.00 0.02 0.00 0.00 34.50 32.66 3djc s PRO 152 CO 0.21 -0.98 0.73 0.41 -0.33 0.00 0.00 177.00 177.03 3djc n GLY 153 N -1.62 -2.28 0.15 0.52 0.00 -0.69 -3.83 105.19 97.44 3djc n GLY 153 Ca 0.08 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -0.01 0.99 3.38 -1.84 -1.21 115.31 116.63 3djc h LEU 154 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3djc h LEU 154 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3djc h LEU 154 CO 0.18 0.54 -0.03 -0.09 0.09 0.00 0.00 178.44 179.13 3djc h ARG 155 N 0.00 0.03 0.00 1.13 9.65 -1.89 -2.96 114.38 120.34 3djc h ARG 155 Ca -0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3djc h ARG 155 Cb 1.21 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3djc h ARG 155 CO 0.07 0.71 0.00 -0.07 2.80 0.00 0.00 179.97 183.48 3djc h LEU 156 N -0.64 0.00 0.16 3.80 3.38 -1.80 -0.20 115.31 120.01 3djc h LEU 156 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3djc h LEU 156 Cb 0.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3djc h LEU 156 CO 0.01 0.00 -1.32 0.28 0.09 0.00 0.00 178.44 177.50 3djc h SER 157 N 0.00 0.53 1.50 -0.43 0.02 -1.30 -3.16 113.55 110.71 3djc h SER 157 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 3djc h SER 157 Cb 0.26 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3djc h SER 157 CO 0.00 1.60 -0.13 0.00 -1.14 0.00 0.00 176.83 177.16 3djc h ALA 158 N 0.05 0.92 0.00 3.77 0.00 -1.29 -3.25 119.26 119.46 3djc h ALA 158 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.29 3djc h ALA 158 Cb 1.86 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 3djc h ALA 158 CO 0.14 0.00 -2.27 -0.25 0.00 0.00 0.00 179.25 176.87 3djc n ASP 159 N -2.46 0.18 0.20 0.00 10.43 -0.12 -4.00 116.55 120.77 3djc n ASP 159 Ca 0.05 0.07 0.06 0.00 2.57 0.00 0.00 54.79 57.53 3djc n ASP 159 Cb 0.46 0.79 0.40 0.00 1.84 0.00 0.00 41.12 44.61 3djc n ASP 159 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3djc h ALA 160 N 0.98 1.11 -0.25 2.24 0.00 -1.64 -0.98 119.26 120.72 3djc h ALA 160 Ca -0.50 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 3djc h ALA 160 Cb 2.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 3djc h ALA 160 CO 0.04 0.43 -0.07 -0.07 0.00 0.00 0.00 179.25 179.57 3djc h LEU 161 N 0.00 0.49 -0.77 0.00 3.38 -1.74 -2.79 115.31 113.88 3djc h LEU 161 Ca -0.00 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 3djc h LEU 161 Cb 0.77 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3djc h LEU 161 CO 0.04 0.76 -0.37 0.77 0.09 0.00 0.00 178.44 179.73 3djc h SER 162 N 0.22 0.00 -0.02 -0.43 4.64 -1.65 -3.10 113.55 113.22 3djc h SER 162 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3djc h SER 162 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3djc h SER 162 CO 0.03 0.37 -0.39 0.50 -0.87 0.00 0.00 176.83 176.47 3djc h LYS 163 N 0.00 0.29 -0.47 4.77 3.64 -1.20 -3.37 116.57 120.24 3djc h LYS 163 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3djc h LYS 163 Cb 0.97 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3djc h LYS 163 CO 0.05 0.98 0.00 0.09 -2.27 0.00 0.00 179.45 178.30 3djc n ASN 164 N -4.39 4.15 -3.73 4.20 3.02 -1.06 -4.91 115.26 112.56 3djc n ASN 164 Ca -0.10 -2.53 -0.17 0.00 -0.03 0.00 0.00 54.58 51.75 3djc n ASN 164 Cb 0.56 -0.49 -0.17 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.97 -0.07 0.45 3.41 2.01 -1.17 -5.06 115.64 113.23 3djc s THR 165 Ca 0.42 0.30 -0.23 0.00 0.31 0.00 0.00 61.69 62.50 3djc s THR 165 Cb 0.29 -0.12 -0.08 0.00 0.01 0.00 0.00 72.50 72.60 3djc s THR 165 CO 0.18 0.13 1.11 0.00 -0.69 0.00 0.00 174.62 175.34 3djc s ALA 166 N 1.53 2.98 -1.59 7.40 0.00 -1.26 -3.70 121.76 127.11 3djc s ALA 166 Ca -0.03 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 3djc s ALA 166 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3djc s ALA 166 CO -0.03 -0.47 0.35 1.63 0.00 0.00 0.00 175.76 177.24 3djc n LYS 167 N -0.47 -3.49 -3.71 0.00 4.76 -1.26 -5.01 118.16 108.98 3djc n LYS 167 Ca 0.07 0.92 -0.21 0.00 -2.87 0.00 0.00 58.31 56.22 3djc n LYS 167 Cb 0.49 -5.64 -0.18 0.00 -1.84 0.00 0.00 35.03 27.87 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 -6.17 0.30 0.67 -0.35 0.20 -1.24 -5.16 118.68 106.93 3djc s LEU 168 Ca 0.18 0.03 -0.02 0.00 0.69 0.00 0.00 54.13 55.00 3djc s LEU 168 Cb -0.08 -0.22 0.08 0.00 -0.43 0.00 0.00 46.19 45.54 3djc s LEU 168 CO 0.22 -0.23 0.94 -2.16 -0.29 0.00 0.00 176.35 174.83 3djc s PRO 169 N 2.07 2.07 0.13 0.98 0.04 -1.26 -4.40 135.00 134.62 3djc s PRO 169 Ca 0.04 -0.72 -0.04 0.00 0.04 0.00 0.00 61.00 60.32 3djc s PRO 169 Cb -0.12 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 3djc s PRO 169 CO -0.04 -1.18 0.35 -1.54 0.04 0.00 0.00 177.00 174.63 3djc s SER 170 N -4.57 6.47 0.03 6.66 1.04 -1.26 -4.38 113.70 117.69 3djc s SER 170 Ca 0.62 0.55 0.02 0.00 0.48 0.00 0.00 55.95 57.61 3djc s SER 170 Cb -0.09 -2.07 -0.02 0.00 0.10 0.00 0.00 66.02 63.94 3djc s SER 170 CO 0.43 0.07 -0.06 0.54 0.98 0.00 0.00 173.24 175.20 3djc s VAL 171 N -1.63 0.43 0.18 5.02 0.11 -1.26 -5.13 120.40 118.12 3djc s VAL 171 Ca 0.40 -0.86 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 3djc s VAL 171 Cb -0.12 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 3djc s VAL 171 CO 0.25 -0.30 1.00 -1.61 -3.33 0.00 0.00 175.10 171.11 3djc s GLU 172 N -1.25 4.72 -0.26 1.54 2.02 -1.26 -4.95 118.70 119.26 3djc s GLU 172 Ca -0.08 1.55 -0.29 0.00 0.02 0.00 0.00 54.97 56.17 3djc s GLU 172 Cb -0.08 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.85 3djc s GLU 172 CO 0.00 0.27 1.09 0.42 0.02 0.00 0.00 175.26 177.07 3djc s ILE 173 N -0.51 4.53 0.32 -1.63 -1.09 -1.26 -5.02 121.20 116.54 3djc s ILE 173 Ca 0.45 1.81 0.03 0.00 -2.23 0.00 0.00 60.65 60.72 3djc s ILE 173 Cb -0.26 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.25 3djc s ILE 173 CO 0.33 -0.32 0.08 0.27 -1.23 0.00 0.00 174.94 174.07 3djc s ILE 174 N 3.49 0.94 0.02 2.92 -0.00 -1.26 -5.13 121.20 122.18 3djc s ILE 174 Ca 0.46 -2.00 -0.30 0.00 -0.00 0.00 0.00 60.65 58.81 3djc s ILE 174 Cb -0.15 -2.69 -0.04 0.00 -0.00 0.00 0.00 42.46 39.58 3djc s ILE 174 CO 0.12 0.00 1.08 -0.75 -0.00 0.00 0.00 174.94 175.39 3djc s LYS 175 N -3.90 4.49 0.07 0.37 2.20 -1.26 -4.94 119.74 116.78 3djc s LYS 175 Ca 0.35 1.57 -0.02 0.00 -0.36 0.00 0.00 55.97 57.52 3djc s LYS 175 Cb 0.08 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3djc s LYS 175 CO 0.15 -0.16 0.25 0.99 -0.36 0.00 0.00 175.35 176.22 3djc s THR 176 N 1.13 5.33 -0.25 3.43 2.01 -1.26 -5.03 115.64 121.00 3djc s THR 176 Ca 0.55 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.34 3djc s THR 176 Cb -0.25 -3.62 -0.18 0.00 0.01 0.00 0.00 72.50 68.47 3djc s THR 176 CO 0.28 0.14 -0.17 -0.62 -0.69 0.00 0.00 174.62 173.55 3djc n GLU 177 N 0.33 0.66 -4.66 4.92 -0.58 -1.26 -4.98 120.64 115.07 3djc n GLU 177 Ca -0.05 0.15 -0.33 0.00 -0.42 0.00 0.00 57.16 56.51 3djc n GLU 177 Cb 0.51 -1.53 -0.12 0.00 -0.57 0.00 0.00 31.44 29.73 3djc n GLU 177 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3djc s SER 178 N -6.52 4.37 0.00 1.62 0.15 -1.26 -5.03 113.70 107.03 3djc s SER 178 Ca -0.33 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 56.41 3djc s SER 178 Cb 0.09 -0.99 0.41 0.00 -1.71 0.00 0.00 66.02 63.82 3djc s SER 178 CO 0.62 0.32 1.35 1.33 1.20 0.00 0.00 173.24 178.06 3djc n VAL 179 N 1.98 0.00 -3.54 4.45 0.24 -1.26 -4.67 118.33 115.52 3djc n VAL 179 Ca -0.17 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 3djc n VAL 179 Cb 0.52 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 3djc n VAL 179 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3djc s VAL 180 N -2.93 4.46 0.15 3.34 1.01 -1.26 -4.84 120.40 120.33 3djc s VAL 180 Ca 0.12 -2.43 -0.30 0.00 0.00 0.00 0.00 61.98 59.37 3djc s VAL 180 Cb 0.17 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3djc s VAL 180 CO 0.70 -0.89 1.09 -0.83 0.00 0.00 0.00 175.10 175.18 3djc s GLY 181 N 1.79 2.82 0.00 4.51 0.00 -1.26 -4.93 107.32 110.24 3djc s GLY 181 Ca 0.14 0.79 0.23 0.00 0.00 0.00 0.00 44.72 45.87 3djc s GLY 181 CO -0.04 1.68 1.41 0.54 0.00 0.00 0.00 173.10 176.69 3djc n ARG 182 N 2.62 2.51 -4.24 2.90 1.74 -1.26 -4.75 116.66 116.17 3djc n ARG 182 Ca 0.03 -2.28 -0.17 0.00 -0.77 0.00 0.00 57.85 54.67 3djc n ARG 182 Cb 0.47 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.49 1.95 0.25 0.55 0.15 -1.26 -5.02 113.70 108.82 3djc s SER 183 Ca 0.39 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 56.14 3djc s SER 183 Cb 0.23 -0.06 0.28 0.00 -1.71 0.00 0.00 66.02 64.76 3djc s SER 183 CO 0.32 -0.19 1.81 0.74 1.20 0.00 0.00 173.24 177.12 3djc h THR 184 N 3.34 1.24 -0.66 6.45 2.02 -1.99 -0.55 112.91 122.75 3djc h THR 184 Ca -0.39 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.04 3djc h THR 184 Cb 1.20 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3djc h THR 184 CO 0.54 0.31 0.44 0.40 0.37 0.00 0.00 175.52 177.58 3djc h ILE 185 N 1.02 1.08 0.00 3.11 2.04 -1.97 -1.97 117.51 120.81 3djc h ILE 185 Ca 0.23 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3djc h ILE 185 Cb 0.22 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3djc h ILE 185 CO -0.02 0.14 -0.38 -0.62 0.00 0.00 0.00 178.15 177.28 3djc n GLU 186 N -4.46 0.27 0.08 2.37 1.02 -0.82 -2.79 120.64 116.30 3djc n GLU 186 Ca 0.08 0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 3djc n GLU 186 Cb 0.15 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.77 3djc n GLU 186 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3djc h SER 187 N 0.00 0.59 0.40 1.62 0.02 -0.39 -2.18 113.55 113.61 3djc h SER 187 Ca 0.00 -0.52 -0.20 0.00 -0.84 0.00 0.00 61.79 60.23 3djc h SER 187 Cb 0.73 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3djc h SER 187 CO 0.00 1.33 -0.84 -0.29 -1.14 0.00 0.00 176.83 175.89 3djc h ILE 188 N 0.22 1.43 0.07 3.27 2.10 -1.50 -0.30 117.51 122.79 3djc h ILE 188 Ca -0.11 -2.39 -0.00 0.00 1.08 0.00 0.00 64.86 63.43 3djc h ILE 188 Cb 1.72 2.32 0.00 0.00 -1.09 0.00 0.00 36.82 39.78 3djc h ILE 188 CO 0.19 0.71 -0.03 1.56 -1.08 0.00 0.00 178.15 179.49 3djc h GLN 189 N 0.20 -0.09 -0.50 2.19 4.20 -1.59 -1.48 115.11 118.04 3djc h GLN 189 Ca -0.05 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3djc h GLN 189 Cb 1.45 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.23 3djc h GLN 189 CO 0.14 0.14 -0.13 0.77 -0.67 0.00 0.00 178.83 179.07 3djc h SER 190 N -0.31 0.97 0.36 1.46 0.02 -1.45 -2.74 113.55 111.86 3djc h SER 190 Ca -0.01 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3djc h SER 190 Cb 0.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3djc h SER 190 CO 0.02 1.10 -0.17 1.23 -1.14 0.00 0.00 176.83 177.86 3djc h GLY 191 N 0.94 -0.51 1.94 -3.77 0.00 -1.01 -1.92 103.07 98.74 3djc h GLY 191 Ca 0.13 0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 3djc h GLY 191 CO 0.05 -0.18 -0.41 -0.39 0.00 0.00 0.00 176.54 175.61 3djc h VAL 192 N -0.65 0.60 0.29 4.60 -1.51 -1.37 -0.85 116.25 117.36 3djc h VAL 192 Ca -0.05 -1.86 -0.01 0.00 -1.23 0.00 0.00 66.70 63.54 3djc h VAL 192 Cb 0.47 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3djc h VAL 192 CO 0.08 0.34 -0.14 0.22 -1.23 0.00 0.00 177.57 176.85 3djc h TYR 193 N 0.00 -0.36 0.00 5.19 3.20 -1.55 -3.10 116.97 120.34 3djc h TYR 193 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3djc h TYR 193 Cb 1.28 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.67 3djc h TYR 193 CO 0.00 -0.22 0.00 0.66 -1.64 0.00 0.00 178.16 176.96 3djc n TYR 194 N -4.62 0.00 -0.02 -3.82 4.01 -0.72 -1.81 117.16 110.17 3djc n TYR 194 Ca -0.05 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.48 3djc n TYR 194 Cb 0.15 -0.09 -0.13 0.00 -0.31 0.00 0.00 39.34 38.96 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 3.91 0.20 2.00 2.72 0.00 -1.26 -3.15 103.07 107.50 3djc h GLY 195 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 3djc h GLY 195 CO 0.00 0.45 -0.46 -0.24 0.00 0.00 0.00 176.54 176.28 3djc h VAL 196 N -0.44 0.94 -0.17 4.60 3.04 -1.48 -1.12 116.25 121.62 3djc h VAL 196 Ca -0.33 -1.90 -0.09 0.00 -1.01 0.00 0.00 66.70 63.38 3djc h VAL 196 Cb 1.66 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 33.09 3djc h VAL 196 CO -0.01 0.45 -0.30 0.25 -1.01 0.00 0.00 177.57 176.96 3djc h LEU 197 N 0.00 0.34 0.00 3.16 7.12 -1.50 -0.50 115.31 123.92 3djc h LEU 197 Ca -0.00 -0.12 -0.10 0.00 0.13 0.00 0.00 57.88 57.78 3djc h LEU 197 Cb 1.13 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 3djc h LEU 197 CO 0.06 0.63 -1.13 1.23 -0.13 0.00 0.00 178.44 179.10 3djc h GLY 198 N 1.06 0.00 1.07 3.75 0.00 -1.49 -3.20 103.07 104.25 3djc h GLY 198 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3djc h GLY 198 CO 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.26 3djc h ALA 199 N 1.63 0.52 0.12 3.60 0.00 -0.96 -1.84 119.26 122.32 3djc h ALA 199 Ca -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3djc h ALA 199 Cb 1.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3djc h ALA 199 CO 0.03 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3djc h LYS 201 N -0.38 0.85 0.04 0.00 1.57 -1.56 0.18 116.57 117.27 3djc h LYS 201 Ca -0.02 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 3djc h LYS 201 Cb 0.31 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 32.45 3djc h LYS 201 CO 0.03 0.56 -0.96 1.49 -0.57 0.00 0.00 179.45 180.00 3djc h GLU 202 N 0.87 0.58 -0.06 3.15 4.57 -1.29 -2.98 114.58 119.42 3djc h GLU 202 Ca 0.51 -0.68 -0.14 0.00 -1.18 0.00 0.00 59.36 57.88 3djc h GLU 202 Cb 0.65 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3djc h GLU 202 CO -0.28 1.28 -0.59 -0.07 -1.18 0.00 0.00 179.01 178.17 3djc h LEU 203 N 0.17 0.21 -0.05 1.64 3.38 -0.71 -1.68 115.31 118.27 3djc h LEU 203 Ca -0.13 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3djc h LEU 203 Cb 1.65 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3djc h LEU 203 CO 0.19 0.75 -0.03 0.40 0.09 0.00 0.00 178.44 179.83 3djc h ILE 204 N 0.14 0.89 -0.01 1.22 2.04 -0.73 -2.20 117.51 118.86 3djc h ILE 204 Ca -0.00 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.66 3djc h ILE 204 Cb 1.07 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3djc h ILE 204 CO 0.09 0.00 -0.86 1.56 0.00 0.00 0.00 178.15 178.94 3djc h GLN 205 N -0.04 0.26 -0.31 2.37 1.08 -1.41 0.33 115.11 117.40 3djc h GLN 205 Ca 0.03 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 56.87 3djc h GLN 205 Cb 0.09 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3djc h GLN 205 CO -0.08 0.97 -0.17 0.00 -0.95 0.00 0.00 178.83 178.60 3djc h ARG 206 N 0.15 0.66 -0.28 1.46 2.47 -1.33 -3.05 114.38 114.46 3djc h ARG 206 Ca -0.05 -0.30 -0.15 0.00 -1.26 0.00 0.00 59.98 58.23 3djc h ARG 206 Cb 1.47 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.78 3djc h ARG 206 CO 0.14 0.89 -0.39 0.82 0.56 0.00 0.00 179.97 181.98 3djc h ILE 207 N 0.42 1.30 -1.00 2.04 2.04 -1.37 -2.67 117.51 118.26 3djc h ILE 207 Ca 0.07 -1.58 0.20 0.00 1.00 0.00 0.00 64.86 64.54 3djc h ILE 207 Cb 0.70 1.63 -0.10 0.00 -0.74 0.00 0.00 36.82 38.31 3djc h ILE 207 CO 0.05 0.51 0.61 -0.74 0.00 0.00 0.00 178.15 178.58 3djc h HIS 208 N 0.52 1.01 0.00 1.37 2.76 -0.92 0.38 115.15 120.26 3djc h HIS 208 Ca 0.03 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 3djc h HIS 208 Cb 0.99 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 3djc h HIS 208 CO 0.08 0.21 -1.85 1.58 -1.30 0.00 0.00 177.93 176.64 3djc n HIS 209 N -4.75 0.36 -0.11 5.26 -0.00 -1.16 -2.81 115.22 112.01 3djc n HIS 209 Ca 0.23 0.12 -0.21 0.00 -0.00 0.00 0.00 57.72 57.86 3djc n HIS 209 Cb 0.61 -0.84 -0.12 0.00 -0.00 0.00 0.00 29.99 29.65 3djc n HIS 209 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3djc n GLU 210 N -2.60 0.65 0.05 1.57 0.00 -0.95 -3.07 120.64 116.28 3djc n GLU 210 Ca -0.13 0.21 -0.00 0.00 0.00 0.00 0.00 57.16 57.24 3djc n GLU 210 Cb 0.80 -1.55 -0.07 0.00 0.00 0.00 0.00 31.44 30.62 3djc n GLU 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3djc h ALA 211 N -0.23 0.65 0.00 4.31 0.00 -0.48 -3.39 119.26 120.13 3djc h ALA 211 Ca -0.58 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.53 3djc h ALA 211 Cb 1.83 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3djc h ALA 211 CO -0.14 0.90 -0.10 1.19 0.00 0.00 0.00 179.25 181.10 3djc n PHE 212 N -2.96 0.00 -1.57 0.00 0.99 -1.21 -5.02 117.46 107.69 3djc n PHE 212 Ca -0.08 -0.60 -0.01 0.00 -0.00 0.00 0.00 57.45 56.75 3djc n PHE 212 Cb 0.83 -0.09 -0.00 0.00 -1.00 0.00 0.00 39.48 39.21 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 -0.82 -0.73 0.00 4.37 2.04 -1.17 -0.38 115.26 118.57 3djc n ASN 213 Ca 0.08 0.19 0.00 0.00 -0.44 0.00 0.00 54.58 54.41 3djc n ASN 213 Cb 0.55 -0.97 0.00 0.00 -2.53 0.00 0.00 39.78 36.83 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3djc n GLY 214 N -0.21 0.43 3.74 4.83 0.00 -1.12 -4.96 105.19 107.89 3djc n GLY 214 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.10 4.66 0.58 1.61 -0.00 0.49 -4.97 116.67 116.93 3djc s ASP 215 Ca 0.00 2.35 -0.19 0.00 -0.00 0.00 0.00 52.55 54.71 3djc s ASP 215 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 3djc s ASP 215 CO 0.00 -1.95 1.21 -1.10 -0.00 0.00 0.00 175.17 173.33 3djc s GLN 216 N -3.70 3.05 0.19 8.23 1.11 -1.26 -4.96 119.66 122.32 3djc s GLN 216 Ca 0.75 1.84 0.03 0.00 0.01 0.00 0.00 55.36 57.99 3djc s GLN 216 Cb -0.29 -1.98 -0.05 0.00 -1.01 0.00 0.00 33.01 29.68 3djc s GLN 216 CO 0.40 -1.14 -0.03 0.96 0.01 0.00 0.00 175.29 175.49 3djc s ILE 217 N -1.58 0.93 -0.15 1.08 -4.36 -1.26 -4.46 121.20 111.40 3djc s ILE 217 Ca 0.76 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 3djc s ILE 217 Cb -0.30 -2.13 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 3djc s ILE 217 CO 0.34 -0.49 -0.17 -0.22 0.24 0.00 0.00 174.94 174.64 3djc s LEU 218 N -3.22 2.40 -0.26 0.37 2.96 -0.34 -5.00 118.68 115.60 3djc s LEU 218 Ca 0.24 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 3djc s LEU 218 Cb 0.05 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.15 3djc s LEU 218 CO 0.05 0.09 0.17 -0.63 -1.32 0.00 0.00 176.35 174.71 3djc s ILE 219 N 0.77 5.32 -0.12 6.68 1.01 -1.26 -2.17 121.20 131.43 3djc s ILE 219 Ca -0.07 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.76 3djc s ILE 219 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3djc s ILE 219 CO 0.00 0.30 -0.15 -0.76 0.00 0.00 0.00 174.94 174.34 3djc s LEU 220 N 1.40 2.63 -0.01 2.97 1.43 0.17 -0.97 118.68 126.30 3djc s LEU 220 Ca 0.07 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3djc s LEU 220 Cb -0.15 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3djc s LEU 220 CO 0.08 0.18 -0.09 0.00 0.23 0.00 0.00 176.35 176.74 3djc s ALA 221 N 0.27 2.92 0.22 4.21 0.00 -0.00 0.28 121.76 129.66 3djc s ALA 221 Ca -0.10 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 3djc s ALA 221 Cb -0.16 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 3djc s ALA 221 CO 0.06 0.60 0.41 -0.08 0.00 0.00 0.00 175.76 176.74 3djc s THR 222 N -0.93 0.02 0.00 0.00 -1.32 -0.13 -0.72 115.64 112.56 3djc s THR 222 Ca 0.15 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 3djc s THR 222 Cb -0.11 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 3djc s THR 222 CO 0.05 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 3djc n GLY 223 N -0.33 0.61 0.19 6.08 0.00 -1.26 -0.43 105.19 110.05 3djc n GLY 223 Ca -0.03 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 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 0.71 -2.52 -0.02 0.00 -1.61 -3.24 103.07 96.39 3djc h GLY 224 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.37 3djc h GLY 224 CO 0.00 0.81 0.06 0.69 0.00 0.00 0.00 176.54 178.10 3djc n PHE 225 N -4.17 1.24 0.06 5.60 3.01 0.11 -4.42 117.46 118.89 3djc n PHE 225 Ca -0.07 -0.54 -0.15 0.00 1.01 0.00 0.00 57.45 57.70 3djc n PHE 225 Cb 0.60 -0.38 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 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 2.82 0.31 -0.00 4.37 0.00 -1.72 -3.31 119.26 121.74 3djc h ALA 226 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3djc h ALA 226 Cb 1.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3djc h ALA 226 CO 0.33 0.78 0.00 0.43 0.00 0.00 0.00 179.25 180.79 3djc n SER 227 N -3.78 0.03 -0.57 0.00 7.64 -1.26 -2.93 113.62 112.76 3djc n SER 227 Ca -0.08 -1.59 0.12 0.00 1.01 0.00 0.00 58.87 58.33 3djc n SER 227 Cb 0.84 -0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.45 3djc n SER 227 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3djc n LEU 228 N -0.69 1.75 -0.74 -3.43 4.77 -1.25 -4.23 117.00 113.19 3djc n LEU 228 Ca 0.10 -0.68 0.04 0.00 -0.03 0.00 0.00 56.01 55.44 3djc n LEU 228 Cb 0.05 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3djc n LEU 228 CO 0.08 0.34 0.27 0.49 -1.33 0.00 0.00 177.39 177.23 3djc n PHE 229 N 0.37 0.00 1.70 -1.77 3.72 -1.15 -4.76 117.46 115.57 3djc n PHE 229 Ca 0.17 -0.57 0.15 0.00 -0.05 0.00 0.00 57.45 57.15 3djc n PHE 229 Cb 0.36 -0.13 0.72 0.00 -0.94 0.00 0.00 39.48 39.50 3djc n PHE 229 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3djc n ASP 230 N -0.29 0.67 0.06 4.37 4.64 -1.26 -3.82 116.55 120.93 3djc n ASP 230 Ca 0.08 -1.12 0.12 0.00 -1.38 0.00 0.00 54.79 52.49 3djc n ASP 230 Cb 0.82 -0.01 0.25 0.00 -1.04 0.00 0.00 41.12 41.14 3djc n ASP 230 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3djc n LYS 231 N -0.53 0.25 0.00 -0.67 4.81 -1.26 -5.00 118.16 115.76 3djc n LYS 231 Ca 0.20 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3djc n LYS 231 Cb 0.24 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3djc n LYS 231 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3djc n GLN 232 N -2.07 1.46 0.00 1.64 6.02 -1.25 -5.02 117.38 118.17 3djc n GLN 232 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3djc n GLN 232 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 3djc n GLN 232 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3djc n GLY 233 N 1.83 0.00 0.00 1.08 0.00 -1.26 -4.74 105.19 102.09 3djc n GLY 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.36 -3.99 0.99 7.94 -1.26 -5.03 117.00 116.01 3djc n LEU 234 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3djc n LEU 234 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 3djc n LEU 234 CO 0.00 0.06 -0.23 -0.72 -1.11 0.00 0.00 177.39 175.39 3djc s TYR 235 N -1.15 0.38 -0.18 1.96 1.13 -1.26 -4.96 117.35 113.27 3djc s TYR 235 Ca 0.00 -0.86 -0.24 0.00 -1.41 0.00 0.00 57.07 54.56 3djc s TYR 235 Cb 0.00 -0.24 -0.21 0.00 -1.10 0.00 0.00 41.96 40.40 3djc s TYR 235 CO 0.00 -0.47 0.42 -0.44 -2.51 0.00 0.00 175.55 172.55 3djc h ASP 236 N 2.94 0.00 -3.29 -0.18 3.32 -1.45 -3.47 116.42 114.30 3djc h ASP 236 Ca -0.34 -0.69 -0.57 0.00 0.02 0.00 0.00 57.03 55.45 3djc h ASP 236 Cb 1.17 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.38 3djc h ASP 236 CO 0.61 1.27 -0.83 -1.00 -1.72 0.00 0.00 179.24 177.56 3djc s HIS 237 N -2.29 1.88 -0.52 4.55 3.76 -1.04 -5.05 115.29 116.58 3djc s HIS 237 Ca -0.24 -0.85 -0.21 0.00 -0.15 0.00 0.00 55.06 53.60 3djc s HIS 237 Cb 0.02 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.40 3djc s HIS 237 CO 0.61 -0.44 0.74 -1.17 -0.85 0.00 0.00 174.74 173.63 3djc s LEU 238 N 0.96 4.62 -0.58 0.89 0.20 -1.26 -0.82 118.68 122.69 3djc s LEU 238 Ca -0.08 -0.68 -0.02 0.00 0.69 0.00 0.00 54.13 54.05 3djc s LEU 238 Cb -0.15 -2.60 0.15 0.00 -0.43 0.00 0.00 46.19 43.16 3djc s LEU 238 CO -0.01 -1.01 0.38 -0.69 -0.29 0.00 0.00 176.35 174.73 3djc s VAL 239 N 3.13 3.51 -0.75 1.68 1.01 0.10 -4.97 120.40 124.12 3djc s VAL 239 Ca 0.21 -2.86 0.20 0.00 0.00 0.00 0.00 61.98 59.53 3djc s VAL 239 Cb -0.16 -3.32 0.19 0.00 0.00 0.00 0.00 36.38 33.08 3djc s VAL 239 CO 0.15 -0.84 1.61 -0.81 0.00 0.00 0.00 175.10 175.21 3djc n PRO 240 N 3.61 0.10 -0.22 2.72 -0.04 -1.26 -2.68 135.00 137.24 3djc n PRO 240 Ca 0.06 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 3djc n PRO 240 Cb 0.38 -1.68 0.16 0.00 -0.04 0.00 0.00 33.50 32.32 3djc n PRO 240 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3djc n ASP 241 N -1.87 3.04 -0.01 3.54 9.92 -1.26 -4.55 116.55 125.36 3djc n ASP 241 Ca 0.03 -2.25 0.23 0.00 -0.53 0.00 0.00 54.79 52.28 3djc n ASP 241 Cb 0.22 -0.28 0.70 0.00 -0.64 0.00 0.00 41.12 41.11 3djc n ASP 241 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3djc h LEU 242 N 1.75 0.00 0.00 0.64 5.85 -1.90 -0.45 115.31 121.21 3djc h LEU 242 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3djc h LEU 242 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3djc h LEU 242 CO 0.05 0.00 -0.03 1.62 -0.34 0.00 0.00 178.44 179.74 3djc h VAL 243 N 0.00 1.69 0.00 1.05 3.04 -1.85 -3.25 116.25 116.94 3djc h VAL 243 Ca 0.29 -2.08 -0.11 0.00 -1.01 0.00 0.00 66.70 63.79 3djc h VAL 243 Cb 1.49 3.10 -0.02 0.00 -2.01 0.00 0.00 31.29 33.86 3djc h VAL 243 CO -0.00 0.54 -0.53 -0.07 -1.01 0.00 0.00 177.57 176.50 3djc h LEU 244 N -0.85 0.00 0.24 3.16 3.38 -1.69 -2.56 115.31 117.00 3djc h LEU 244 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3djc h LEU 244 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3djc h LEU 244 CO 0.01 0.53 -0.13 1.56 0.09 0.00 0.00 178.44 180.49 3djc h GLN 245 N 0.00 -0.34 0.00 1.13 4.20 -1.28 -3.07 115.11 115.75 3djc h GLN 245 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3djc h GLN 245 Cb 1.04 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3djc h GLN 245 CO 0.07 -0.23 0.00 0.41 -0.67 0.00 0.00 178.83 178.41 3djc n GLY 246 N -1.25 -1.36 0.13 3.46 0.00 -1.14 -1.49 105.19 103.53 3djc n GLY 246 Ca -0.09 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3djc n GLY 246 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3djc h ILE 247 N 0.00 1.45 -0.65 -0.61 2.04 -1.44 -1.65 117.51 116.65 3djc h ILE 247 Ca 0.00 -1.89 0.01 0.00 1.00 0.00 0.00 64.86 63.98 3djc h ILE 247 Cb 0.46 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3djc h ILE 247 CO 0.00 0.54 0.43 -0.09 0.00 0.00 0.00 178.15 179.03 3djc h ARG 248 N -0.19 0.84 0.00 2.37 2.43 -1.42 -0.62 114.38 117.79 3djc h ARG 248 Ca -0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3djc h ARG 248 Cb 1.10 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3djc h ARG 248 CO 0.08 0.55 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.89 3djc h LEU 249 N 0.86 0.00 0.01 3.80 4.07 -1.29 -0.52 115.31 122.25 3djc h LEU 249 Ca 0.24 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.94 3djc h LEU 249 Cb -0.07 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.63 3djc h LEU 249 CO -0.06 0.14 -1.47 0.00 -1.08 0.00 0.00 178.44 175.96 3djc h ALA 250 N 1.86 0.58 -0.15 1.53 0.00 -1.07 -3.21 119.26 118.80 3djc h ALA 250 Ca -0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 54.91 53.55 3djc h ALA 250 Cb 0.55 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3djc h ALA 250 CO 0.02 1.43 -0.37 0.00 0.00 0.00 0.00 179.25 180.33 3djc h ALA 251 N 0.93 1.10 0.00 0.00 0.00 -0.49 -2.90 119.26 117.90 3djc h ALA 251 Ca -0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3djc h ALA 251 Cb 1.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3djc h ALA 251 CO 0.10 0.58 -0.48 0.52 0.00 0.00 0.00 179.25 179.97 3djc h MET 252 N 0.27 0.00 0.00 0.00 2.07 -1.24 -2.76 114.93 113.26 3djc h MET 252 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3djc h MET 252 Cb 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.51 3djc h MET 252 CO 0.06 0.48 0.00 0.52 1.07 0.00 0.00 176.91 179.04 3djc h MET 253 N 0.00 0.00 0.00 1.72 2.86 -1.51 -3.27 114.93 114.73 3djc h MET 253 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3djc h MET 253 Cb 1.20 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.74 3djc h MET 253 CO 0.06 0.00 -0.65 0.09 1.06 0.00 0.00 176.91 177.47 3djc n ASN 254 N -2.49 1.50 -0.47 1.22 3.02 -1.11 -4.77 115.26 112.16 3djc n ASN 254 Ca 0.03 -3.32 0.06 0.00 -0.03 0.00 0.00 54.58 51.32 3djc n ASN 254 Cb 0.31 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.07 3djc n ASN 254 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71