#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 2.03 -0.41 -0.08 2.07 -1.12 -1.58 121.20 122.10 3djc s ILE 2 Ca 0.00 -1.01 -0.17 0.00 -1.41 0.00 0.00 60.65 58.06 3djc s ILE 2 Cb 0.00 -1.74 0.02 0.00 0.13 0.00 0.00 42.46 40.86 3djc s ILE 2 CO 0.00 0.56 0.41 -0.22 -1.91 0.00 0.00 174.94 173.77 3djc s LEU 3 N 0.21 4.84 -0.20 8.50 2.96 -0.13 -2.03 118.68 132.83 3djc s LEU 3 Ca -0.15 -0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 53.04 3djc s LEU 3 Cb -0.17 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3djc s LEU 3 CO 0.07 -0.53 0.09 0.00 -1.32 0.00 0.00 176.35 174.66 3djc s ILE 5 N 0.55 1.66 -0.22 0.00 1.01 -0.38 -0.65 121.20 123.17 3djc s ILE 5 Ca 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3djc s ILE 5 Cb -0.12 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3djc s ILE 5 CO 0.01 0.47 0.06 -0.62 0.00 0.00 0.00 174.94 174.86 3djc s ASP 6 N 0.81 5.27 -0.48 3.58 2.15 0.25 -1.39 116.67 126.86 3djc s ASP 6 Ca -0.10 -0.11 -0.11 0.00 0.43 0.00 0.00 52.55 52.66 3djc s ASP 6 Cb -0.16 -1.93 0.11 0.00 -0.30 0.00 0.00 42.92 40.65 3djc s ASP 6 CO 0.01 0.04 0.37 -0.69 -0.17 0.00 0.00 175.17 174.73 3djc s VAL 7 N 1.16 4.53 0.46 1.11 1.01 -0.04 0.24 120.40 128.87 3djc s VAL 7 Ca 0.04 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 60.50 3djc s VAL 7 Cb -0.14 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.41 3djc s VAL 7 CO 0.03 -0.74 0.62 0.61 0.00 0.00 0.00 175.10 175.62 3djc n GLY 8 N 5.01 2.02 0.19 4.51 0.00 0.08 -1.89 105.19 115.12 3djc n GLY 8 Ca -0.10 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.77 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 0.11 0.00 0.00 1.61 4.21 -1.96 -3.33 115.58 116.22 3djc h ASN 9 Ca -0.22 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.26 3djc h ASN 9 Cb 1.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 3djc h ASN 9 CO 0.32 0.37 -1.23 -1.54 -1.29 0.00 0.00 177.43 174.06 3djc n SER 10 N -3.45 4.02 -3.96 5.81 3.41 -1.26 -4.82 113.62 113.37 3djc n SER 10 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 3djc n SER 10 Cb 0.53 0.96 -0.12 0.00 -0.26 0.00 0.00 64.21 65.32 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 -2.22 0.25 -0.35 7.33 3.76 -1.25 -3.14 115.29 119.68 3djc s HIS 11 Ca -0.02 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 3djc s HIS 11 Cb 0.02 -0.17 -0.00 0.00 1.11 0.00 0.00 32.58 33.53 3djc s HIS 11 CO 0.17 -0.12 0.53 0.42 -0.85 0.00 0.00 174.74 174.89 3djc s ILE 12 N -1.02 5.00 -0.24 0.60 1.01 0.39 -0.74 121.20 126.20 3djc s ILE 12 Ca -0.10 0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 3djc s ILE 12 Cb -0.07 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3djc s ILE 12 CO -0.01 -0.22 0.03 -0.47 0.00 0.00 0.00 174.94 174.28 3djc s TYR 13 N 2.44 3.04 0.25 3.97 5.04 0.14 -0.96 117.35 131.27 3djc s TYR 13 Ca 0.20 -0.58 0.11 0.00 -2.44 0.00 0.00 57.07 54.35 3djc s TYR 13 Cb -0.15 -2.19 -0.05 0.00 0.35 0.00 0.00 41.96 39.91 3djc s TYR 13 CO 0.13 -0.41 -0.19 0.20 -1.34 0.00 0.00 175.55 173.94 3djc s GLY 14 N 1.56 1.73 -0.19 8.97 0.00 -0.67 0.86 107.32 119.58 3djc s GLY 14 Ca 0.06 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 42.76 3djc s GLY 14 CO 0.01 -1.86 0.64 -0.32 0.00 0.00 0.00 173.10 171.57 3djc s GLY 15 N -3.33 -0.49 -0.16 0.20 0.00 0.17 -1.00 107.32 102.71 3djc s GLY 15 Ca 0.26 1.64 -0.01 0.00 0.00 0.00 0.00 44.72 46.61 3djc s GLY 15 CO 0.12 1.36 -0.11 0.54 0.00 0.00 0.00 173.10 175.01 3djc s VAL 16 N -0.10 3.08 -0.03 1.40 0.11 0.51 -0.95 120.40 124.43 3djc s VAL 16 Ca -0.03 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.37 3djc s VAL 16 Cb -0.04 -2.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 3djc s VAL 16 CO 0.03 0.50 0.10 -0.36 -3.33 0.00 0.00 175.10 172.04 3djc s PHE 17 N 0.75 3.38 -0.98 1.54 0.40 -0.86 -2.29 117.98 119.91 3djc s PHE 17 Ca -0.05 0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.53 3djc s PHE 17 Cb -0.15 -1.80 0.25 0.00 0.51 0.00 0.00 43.02 41.83 3djc s PHE 17 CO 0.02 0.59 0.95 -3.47 0.70 0.00 0.00 175.22 174.00 3djc n ASP 18 N 1.36 4.80 0.00 1.36 4.64 -0.21 -2.81 116.55 125.68 3djc n ASP 18 Ca -0.14 -3.12 0.00 0.00 -1.38 0.00 0.00 54.79 50.14 3djc n ASP 18 Cb 0.53 -1.17 0.00 0.00 -1.04 0.00 0.00 41.12 39.44 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 2.34 1.69 0.12 0.27 0.00 -1.26 -3.74 105.19 104.61 3djc n GLY 19 Ca 0.23 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3djc n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3djc h ASP 20 N 0.00 0.39 -3.49 1.61 -0.00 -2.02 -3.48 116.42 109.43 3djc h ASP 20 Ca 0.00 -0.69 -0.52 0.00 -0.00 0.00 0.00 57.03 55.82 3djc h ASP 20 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.18 3djc h ASP 20 CO 0.00 1.60 -0.04 -1.83 -0.00 0.00 0.00 179.24 178.97 3djc s GLU 21 N -2.59 3.80 -0.21 0.28 -1.05 -1.25 -5.05 118.70 112.65 3djc s GLU 21 Ca -0.14 0.33 -0.10 0.00 -0.15 0.00 0.00 54.97 54.91 3djc s GLU 21 Cb 0.07 -2.56 -0.05 0.00 -0.44 0.00 0.00 34.13 31.15 3djc s GLU 21 CO 0.82 0.20 0.13 0.42 0.95 0.00 0.00 175.26 177.77 3djc s ILE 22 N -2.01 5.31 -0.36 1.83 1.01 -1.26 -1.04 121.20 124.67 3djc s ILE 22 Ca 0.49 0.15 0.12 0.00 0.00 0.00 0.00 60.65 61.41 3djc s ILE 22 Cb -0.11 -3.43 -0.15 0.00 0.01 0.00 0.00 42.46 38.79 3djc s ILE 22 CO 0.24 0.43 0.41 0.29 0.00 0.00 0.00 174.94 176.31 3djc n LYS 23 N 3.67 2.19 -3.67 2.79 5.02 -0.97 -4.97 118.16 122.22 3djc n LYS 23 Ca -0.16 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 55.99 3djc n LYS 23 Cb 0.52 -1.13 -0.09 0.00 -0.02 0.00 0.00 35.03 34.32 3djc n LYS 23 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3djc s LEU 24 N -3.00 -0.43 0.11 -0.35 2.96 -1.21 -5.03 118.68 111.72 3djc s LEU 24 Ca 0.01 1.22 0.07 0.00 -0.22 0.00 0.00 54.13 55.21 3djc s LEU 24 Cb 0.08 1.97 -0.03 0.00 0.50 0.00 0.00 46.19 48.70 3djc s LEU 24 CO 0.48 -0.21 -0.17 0.00 -1.32 0.00 0.00 176.35 175.13 3djc s ARG 25 N 1.02 1.04 0.30 1.98 3.03 -1.26 -0.36 118.95 124.69 3djc s ARG 25 Ca -0.06 -1.16 -0.06 0.00 2.03 0.00 0.00 55.73 56.49 3djc s ARG 25 Cb -0.05 -1.12 -0.00 0.00 -1.03 0.00 0.00 34.95 32.74 3djc s ARG 25 CO -0.09 0.24 0.45 -0.59 -1.13 0.00 0.00 175.30 174.18 3djc s PHE 26 N -1.53 0.82 -0.08 5.89 -0.71 -0.17 -4.97 117.98 117.23 3djc s PHE 26 Ca 0.06 -1.11 -0.07 0.00 -1.04 0.00 0.00 56.93 54.78 3djc s PHE 26 Cb -0.08 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.73 3djc s PHE 26 CO 0.04 -1.05 0.20 0.50 -1.34 0.00 0.00 175.22 173.57 3djc s ARG 27 N -3.46 0.22 0.25 1.99 3.52 -1.26 -1.67 118.95 118.54 3djc s ARG 27 Ca 0.28 0.31 0.06 0.00 -0.13 0.00 0.00 55.73 56.25 3djc s ARG 27 Cb 0.00 0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.41 3djc s ARG 27 CO 0.15 -0.05 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.96 3djc s HIS 28 N 0.27 1.75 0.10 5.12 5.65 -0.13 -4.99 115.29 123.06 3djc s HIS 28 Ca -0.01 -0.76 -0.21 0.00 0.25 0.00 0.00 55.06 54.33 3djc s HIS 28 Cb -0.03 -0.98 -0.07 0.00 -1.18 0.00 0.00 32.58 30.32 3djc s HIS 28 CO -0.01 0.17 0.63 0.99 -0.65 0.00 0.00 174.74 175.87 3djc s THR 29 N -3.16 4.63 -0.84 0.89 2.01 -1.26 -0.46 115.64 117.45 3djc s THR 29 Ca 0.27 1.35 -0.22 0.00 0.31 0.00 0.00 61.69 63.40 3djc s THR 29 Cb 0.04 -3.97 0.07 0.00 0.01 0.00 0.00 72.50 68.66 3djc s THR 29 CO 0.09 0.54 1.20 -0.94 -0.69 0.00 0.00 174.62 174.82 3djc s SER 30 N -1.14 6.38 0.31 3.53 1.04 -1.19 -4.58 113.70 118.05 3djc s SER 30 Ca 0.31 -1.30 0.02 0.00 0.48 0.00 0.00 55.95 55.46 3djc s SER 30 Cb -0.20 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 3djc s SER 30 CO 0.21 -1.43 0.06 0.29 0.98 0.00 0.00 173.24 173.35 3djc n LYS 31 N 8.02 0.86 -2.27 4.02 5.02 -1.26 -4.82 118.16 127.73 3djc n LYS 31 Ca 0.15 -2.44 -0.43 0.00 -2.02 0.00 0.00 58.31 53.57 3djc n LYS 31 Cb 0.49 1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 36.54 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 -2.48 3.93 0.34 -0.18 0.11 -1.26 -4.85 120.40 116.01 3djc s VAL 32 Ca 0.09 1.05 0.03 0.00 -2.93 0.00 0.00 61.98 60.23 3djc s VAL 32 Cb 0.00 -3.94 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 3djc s VAL 32 CO 0.06 -0.38 0.13 -0.44 -3.33 0.00 0.00 175.10 171.14 3djc s SER 33 N 3.45 2.04 0.39 3.54 0.01 -1.26 -5.17 113.70 116.69 3djc s SER 33 Ca 0.63 -1.56 0.08 0.00 1.31 0.00 0.00 55.95 56.41 3djc s SER 33 Cb -0.21 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 3djc s SER 33 CO 0.26 -0.85 0.23 0.42 0.41 0.00 0.00 173.24 173.71 3djc s THR 34 N -3.44 2.68 0.41 1.44 -4.23 -1.26 -4.91 115.64 106.33 3djc s THR 34 Ca 0.32 -1.58 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 3djc s THR 34 Cb 0.05 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.11 3djc s THR 34 CO 0.16 -0.06 2.00 0.77 -0.54 0.00 0.00 174.62 176.95 3djc h SER 35 N 1.34 0.00 0.06 3.99 4.64 -1.95 -1.37 113.55 120.26 3djc h SER 35 Ca -0.43 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.78 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 0.64 0.18 -0.48 0.44 -0.87 0.00 0.00 176.83 176.73 3djc h ASP 36 N 0.00 0.31 -0.30 4.97 3.32 -1.96 -0.91 116.42 121.86 3djc h ASP 36 Ca -0.00 -0.91 0.03 0.00 0.02 0.00 0.00 57.03 56.16 3djc h ASP 36 Cb 0.39 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3djc h ASP 36 CO 0.02 1.20 0.13 -0.33 -1.72 0.00 0.00 179.24 178.54 3djc h GLU 37 N -0.52 0.27 -0.36 3.56 5.08 -1.96 0.05 114.58 120.70 3djc h GLU 37 Ca -0.08 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3djc h GLU 37 Cb 1.33 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3djc h GLU 37 CO 0.09 0.18 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.04 3djc h LEU 38 N 0.28 0.66 -0.53 1.33 3.38 -1.34 -1.55 115.31 117.53 3djc h LEU 38 Ca 0.13 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3djc h LEU 38 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3djc h LEU 38 CO -0.11 0.84 -0.65 1.23 0.09 0.00 0.00 178.44 179.83 3djc h GLY 39 N 0.98 0.00 0.49 0.83 0.00 -0.98 -1.54 103.07 102.84 3djc h GLY 39 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3djc h GLY 39 CO 0.04 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.32 3djc h ILE 40 N 0.00 1.16 -0.46 2.60 2.04 -0.88 -2.60 117.51 119.37 3djc h ILE 40 Ca -0.01 -1.09 0.08 0.00 1.00 0.00 0.00 64.86 64.85 3djc h ILE 40 Cb 1.25 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 39.11 3djc h ILE 40 CO 0.09 0.26 0.03 0.15 0.00 0.00 0.00 178.15 178.67 3djc h PHE 41 N -0.63 0.03 -0.34 1.37 3.57 -1.30 -0.34 116.94 119.30 3djc h PHE 41 Ca -0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3djc h PHE 41 Cb 0.51 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3djc h PHE 41 CO 0.09 -0.07 0.11 -0.07 -2.23 0.00 0.00 178.31 176.13 3djc h LEU 42 N 0.15 0.49 -1.18 0.59 3.38 -1.35 0.32 115.31 117.71 3djc h LEU 42 Ca 0.23 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3djc h LEU 42 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3djc h LEU 42 CO -0.35 0.57 -0.37 0.11 0.09 0.00 0.00 178.44 178.48 3djc h LYS 43 N 0.39 0.07 0.13 1.13 1.57 -1.29 -2.96 116.57 115.60 3djc h LYS 43 Ca 0.11 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.61 3djc h LYS 43 Cb 0.25 -0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.58 3djc h LYS 43 CO -0.00 0.43 -1.08 0.77 -0.57 0.00 0.00 179.45 179.00 3djc h SER 44 N 0.06 0.72 0.89 0.86 0.02 -0.76 -2.94 113.55 112.40 3djc h SER 44 Ca 0.00 -0.86 -0.01 0.00 -0.84 0.00 0.00 61.79 60.08 3djc h SER 44 Cb 0.69 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3djc h SER 44 CO 0.05 1.52 -0.06 1.62 -1.14 0.00 0.00 176.83 178.81 3djc h VAL 45 N 0.04 0.18 0.00 2.27 3.04 -0.36 -2.60 116.25 118.82 3djc h VAL 45 Ca -0.17 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.87 3djc h VAL 45 Cb 1.80 1.53 -0.00 0.00 -2.01 0.00 0.00 31.29 32.61 3djc h VAL 45 CO 0.21 0.06 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.57 3djc h LEU 46 N 0.00 0.00 -0.36 3.16 3.38 -1.60 -3.33 115.31 116.56 3djc h LEU 46 Ca -0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3djc h LEU 46 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3djc h LEU 46 CO 0.01 0.72 0.21 -0.09 0.09 0.00 0.00 178.44 179.37 3djc h ARG 47 N -1.00 0.41 0.00 1.13 2.43 -1.26 -1.40 114.38 114.69 3djc h ARG 47 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3djc h ARG 47 Cb 0.39 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3djc h ARG 47 CO -0.02 0.27 0.00 0.39 -1.51 0.00 0.00 179.97 179.10 3djc n GLU 48 N -4.89 0.14 -0.82 0.20 -0.58 -0.98 -1.14 120.64 112.56 3djc n GLU 48 Ca 0.00 0.42 -0.04 0.00 -0.42 0.00 0.00 57.16 57.13 3djc n GLU 48 Cb 0.06 -1.79 0.24 0.00 -0.57 0.00 0.00 31.44 29.39 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 -2.04 3.66 -0.11 1.62 3.02 -0.66 -4.98 115.26 115.77 3djc n ASN 49 Ca 0.02 -3.41 -0.01 0.00 -0.03 0.00 0.00 54.58 51.15 3djc n ASN 49 Cb 0.18 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.70 -5.31 -4.42 6.41 5.03 -0.29 -4.97 115.26 111.00 3djc n ASN 50 Ca 0.36 0.03 -0.44 0.00 0.87 0.00 0.00 54.58 55.40 3djc n ASN 50 Cb 1.18 -2.93 -0.09 0.00 -1.02 0.00 0.00 39.78 36.92 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 2.24 6.94 0.44 0.00 0.01 -1.26 -2.26 113.70 119.81 3djc s SER 52 Ca 0.05 2.07 0.32 0.00 1.31 0.00 0.00 55.95 59.69 3djc s SER 52 Cb -0.22 -2.57 1.49 0.00 0.21 0.00 0.00 66.02 64.93 3djc s SER 52 CO 0.08 -0.62 1.58 -0.65 0.41 0.00 0.00 173.24 174.04 3djc h PRO 53 N 7.36 0.01 0.00 12.44 0.11 -1.90 -1.18 132.00 148.84 3djc h PRO 53 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3djc h PRO 53 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3djc h PRO 53 CO 0.87 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.60 3djc h GLU 54 N 0.01 0.00 0.00 1.05 3.07 -1.97 -2.95 114.58 113.79 3djc h GLU 54 Ca 0.88 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.74 3djc h GLU 54 Cb 2.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.72 3djc h GLU 54 CO -0.48 0.00 0.00 1.15 -1.40 0.00 0.00 179.01 178.28 3djc h THR 55 N 0.00 0.00 -2.96 1.13 2.02 -1.60 -3.44 112.91 108.06 3djc h THR 55 Ca 0.00 -0.75 -0.57 0.00 0.77 0.00 0.00 66.41 65.86 3djc h THR 55 Cb 0.43 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3djc h THR 55 CO 0.00 0.00 1.00 -0.63 0.37 0.00 0.00 175.52 176.26 3djc s ILE 56 N -3.25 4.04 -0.04 3.11 -1.09 -1.12 -4.55 121.20 118.30 3djc s ILE 56 Ca 0.07 1.20 0.14 0.00 -2.23 0.00 0.00 60.65 59.83 3djc s ILE 56 Cb 0.08 -3.96 -0.22 0.00 -1.58 0.00 0.00 42.46 36.78 3djc s ILE 56 CO 0.62 -0.32 0.31 0.54 -1.23 0.00 0.00 174.94 174.87 3djc n ARG 57 N 7.20 0.48 -4.03 2.79 3.00 -0.62 -4.98 116.66 120.50 3djc n ARG 57 Ca 0.16 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.85 57.74 3djc n ARG 57 Cb 0.46 -1.33 -0.13 0.00 0.00 0.00 0.00 32.46 31.46 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3djc s LYS 58 N -2.95 0.33 -0.05 5.56 1.02 -1.14 -5.05 119.74 117.46 3djc s LYS 58 Ca -0.05 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.61 3djc s LYS 58 Cb 0.09 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 3djc s LYS 58 CO 0.58 0.04 -0.15 0.42 -0.92 0.00 0.00 175.35 175.32 3djc s ILE 59 N -0.66 1.30 -0.07 2.17 1.01 -1.26 -0.96 121.20 122.74 3djc s ILE 59 Ca -0.05 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3djc s ILE 59 Cb -0.05 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3djc s ILE 59 CO -0.00 0.38 -0.09 0.00 0.00 0.00 0.00 174.94 175.23 3djc s ALA 60 N 0.27 1.12 -0.08 9.38 0.00 -0.46 -1.42 121.76 130.57 3djc s ALA 60 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3djc s ALA 60 Cb -0.13 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3djc s ALA 60 CO 0.03 -0.03 -0.22 0.42 0.00 0.00 0.00 175.76 175.97 3djc s ILE 61 N 0.94 1.85 -0.06 0.00 1.01 0.92 -1.25 121.20 124.60 3djc s ILE 61 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.69 3djc s ILE 61 Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3djc s ILE 61 CO 0.01 0.51 -0.23 0.00 0.00 0.00 0.00 174.94 175.23 3djc s SER 63 N -0.00 0.10 0.00 0.00 0.15 -1.26 -0.86 113.70 111.83 3djc s SER 63 Ca -0.07 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.30 3djc s SER 63 Cb -0.14 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 3djc s SER 63 CO 0.05 -0.30 0.08 0.55 1.20 0.00 0.00 173.24 174.82 3djc n VAL 64 N 1.72 0.00 -3.69 4.45 3.14 -0.79 -4.32 118.33 118.83 3djc n VAL 64 Ca -0.22 -0.36 -0.38 0.00 -2.96 0.00 0.00 64.34 60.43 3djc n VAL 64 Cb 0.56 1.06 -0.10 0.00 -1.06 0.00 0.00 33.84 34.30 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 -0.56 3.68 0.57 1.55 1.01 -1.25 -4.98 120.40 120.42 3djc s VAL 65 Ca 0.00 -2.16 0.42 0.00 0.00 0.00 0.00 61.98 60.24 3djc s VAL 65 Cb 0.00 -3.46 0.44 0.00 0.00 0.00 0.00 36.38 33.35 3djc s VAL 65 CO 0.00 -0.76 2.31 -0.65 0.00 0.00 0.00 175.10 176.00 3djc h PRO 66 N 7.96 0.00 -0.00 2.72 0.11 -1.96 -2.54 132.00 138.29 3djc h PRO 66 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3djc h PRO 66 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3djc h PRO 66 CO 0.75 0.00 -0.18 1.04 -0.21 0.00 0.00 178.00 179.40 3djc n GLN 67 N -3.11 0.66 -0.00 1.05 6.02 -1.26 -3.29 117.38 117.44 3djc n GLN 67 Ca -0.02 -0.30 0.10 0.00 -0.01 0.00 0.00 57.00 56.77 3djc n GLN 67 Cb 0.11 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 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 -0.91 0.00 -0.11 5.09 0.31 -0.96 -4.66 118.33 117.08 3djc n VAL 68 Ca 0.13 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 3djc n VAL 68 Cb 0.31 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 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 0.96 -0.19 4.52 3.32 -1.63 -2.66 116.42 120.73 3djc h ASP 69 Ca 0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3djc h ASP 69 Cb 0.72 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3djc h ASP 69 CO 0.00 1.21 -0.05 0.22 -1.72 0.00 0.00 179.24 178.89 3djc h TYR 70 N 0.75 0.43 0.00 4.55 3.20 -1.83 -1.48 116.97 122.59 3djc h TYR 70 Ca 0.07 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.70 3djc h TYR 70 Cb 0.93 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3djc h TYR 70 CO 0.06 0.64 -0.69 0.66 -1.64 0.00 0.00 178.16 177.19 3djc h SER 71 N 0.09 0.00 0.38 -2.11 4.64 -1.87 -1.95 113.55 112.73 3djc h SER 71 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 3djc h SER 71 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3djc h SER 71 CO 0.02 0.69 -1.01 0.25 -0.87 0.00 0.00 176.83 175.91 3djc h LEU 72 N 0.00 0.53 -0.58 5.97 5.85 -1.47 -1.72 115.31 123.89 3djc h LEU 72 Ca -0.01 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3djc h LEU 72 Cb 1.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3djc h LEU 72 CO 0.09 1.26 0.26 0.03 -0.34 0.00 0.00 178.44 179.74 3djc h ARG 73 N 0.21 0.84 -0.05 1.25 3.08 -1.22 -3.19 114.38 115.30 3djc h ARG 73 Ca -0.09 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 3djc h ARG 73 Cb 1.66 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 3djc h ARG 73 CO 0.17 0.70 -0.56 1.03 -1.07 0.00 0.00 179.97 180.25 3djc h SER 74 N 0.79 0.17 0.22 7.04 0.87 -1.35 -2.78 113.55 118.51 3djc h SER 74 Ca 0.20 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3djc h SER 74 Cb 0.15 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3djc h SER 74 CO -0.02 0.70 -0.05 0.00 -0.53 0.00 0.00 176.83 176.93 3djc h ALA 75 N 1.31 1.28 0.10 6.23 0.00 -1.30 -2.19 119.26 124.69 3djc h ALA 75 Ca -0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 3djc h ALA 75 Cb 1.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3djc h ALA 75 CO 0.08 0.06 -1.73 0.00 0.00 0.00 0.00 179.25 177.67 3djc h VAL 77 N 0.06 1.35 -0.02 0.00 -1.51 -1.43 0.26 116.25 114.95 3djc h VAL 77 Ca -0.31 -2.05 -0.09 0.00 -1.23 0.00 0.00 66.70 63.02 3djc h VAL 77 Cb 2.03 2.03 0.01 0.00 -2.13 0.00 0.00 31.29 33.22 3djc h VAL 77 CO 0.12 0.63 -0.33 0.50 -1.23 0.00 0.00 177.57 177.26 3djc h LYS 78 N 0.36 0.26 0.00 5.19 3.64 -1.52 -3.01 116.57 121.48 3djc h LYS 78 Ca -0.03 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3djc h LYS 78 Cb 1.30 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3djc h LYS 78 CO 0.13 0.94 -1.62 0.66 -2.27 0.00 0.00 179.45 177.29 3djc n TYR 79 N -4.44 0.00 0.00 1.91 4.01 -0.83 -4.57 117.16 113.24 3djc n TYR 79 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3djc n TYR 79 Cb 0.53 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 -1.97 0.00 -3.70 -0.72 3.01 -0.78 -5.03 117.46 108.26 3djc n PHE 80 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 3djc n PHE 80 Cb 0.48 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.82 -3.08 -3.82 4.37 7.64 0.76 -4.95 113.62 113.71 3djc n SER 81 Ca 0.00 -0.73 -0.24 0.00 1.01 0.00 0.00 58.87 58.91 3djc n SER 81 Cb 0.00 -4.34 -0.17 0.00 -1.01 0.00 0.00 64.21 58.69 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 -3.47 0.60 -0.43 0.44 1.01 -0.29 -4.92 121.20 114.14 3djc s ILE 82 Ca 0.27 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 3djc s ILE 82 Cb -0.13 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.66 3djc s ILE 82 CO 0.79 0.29 0.99 -0.62 0.00 0.00 0.00 174.94 176.39 3djc s ASP 83 N 1.81 6.61 0.55 3.58 -1.08 -1.26 -2.91 116.67 123.97 3djc s ASP 83 Ca 0.04 0.40 -0.19 0.00 -0.52 0.00 0.00 52.55 52.28 3djc s ASP 83 Cb -0.12 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.80 3djc s ASP 83 CO -0.06 -1.04 1.10 -2.16 0.52 0.00 0.00 175.17 173.54 3djc s PRO 84 N 3.85 3.37 0.21 4.34 0.04 -1.26 -4.91 135.00 140.63 3djc s PRO 84 Ca 0.41 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 3djc s PRO 84 Cb -0.10 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3djc s PRO 84 CO 0.25 -0.82 1.58 0.12 0.04 0.00 0.00 177.00 178.17 3djc s PHE 85 N -1.94 2.98 -0.22 0.56 5.36 -0.51 -4.89 117.98 119.32 3djc s PHE 85 Ca 0.70 0.67 -0.03 0.00 -0.96 0.00 0.00 56.93 57.31 3djc s PHE 85 Cb -0.21 -3.97 -0.00 0.00 -0.34 0.00 0.00 43.02 38.50 3djc s PHE 85 CO 0.28 -3.48 -0.05 -0.51 -1.46 0.00 0.00 175.22 170.00 3djc s LEU 86 N 0.65 2.91 -1.27 6.12 2.01 -1.26 -0.06 118.68 127.78 3djc s LEU 86 Ca 0.68 -0.48 -0.19 0.00 0.01 0.00 0.00 54.13 54.15 3djc s LEU 86 Cb -0.45 -1.72 0.03 0.00 0.01 0.00 0.00 46.19 44.06 3djc s LEU 86 CO 0.36 -0.04 1.82 -0.11 1.01 0.00 0.00 176.35 179.39 3djc n LEU 87 N 4.77 4.61 -4.78 1.79 7.94 0.03 -4.92 117.00 126.45 3djc n LEU 87 Ca -0.18 -3.74 -0.22 0.00 -1.11 0.00 0.00 56.01 50.76 3djc n LEU 87 Cb 0.50 -1.73 -0.05 0.00 0.53 0.00 0.00 43.42 42.67 3djc n LEU 87 CO 0.29 -0.26 -0.16 -1.10 -1.11 0.00 0.00 177.39 175.05 3djc s GLN 88 N 4.70 2.50 -0.04 1.96 -0.21 -1.26 -4.59 119.66 122.71 3djc s GLN 88 Ca 0.57 -1.46 -0.34 0.00 0.02 0.00 0.00 55.36 54.15 3djc s GLN 88 Cb 0.04 -2.28 -0.12 0.00 1.00 0.00 0.00 33.01 31.64 3djc s GLN 88 CO 0.08 0.10 1.81 0.00 -2.12 0.00 0.00 175.29 175.17 3djc n ALA 89 N -1.23 0.94 0.00 6.09 0.00 -1.26 -2.96 120.51 122.10 3djc n ALA 89 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3djc n ALA 89 Cb 0.61 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3djc n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djc n GLY 90 N 4.18 2.30 3.74 0.00 0.00 -1.26 -5.11 105.19 109.05 3djc n GLY 90 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.12 2.74 -0.01 1.61 -7.23 -1.15 -4.96 120.40 109.27 3djc s VAL 91 Ca 0.00 0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 3djc s VAL 91 Cb 0.00 -2.80 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 3djc s VAL 91 CO 0.00 -0.31 1.52 -0.75 -0.31 0.00 0.00 175.10 175.25 3djc s LYS 92 N -5.00 4.23 -0.02 4.82 2.20 -1.26 -4.84 119.74 119.87 3djc s LYS 92 Ca 0.63 2.09 0.01 0.00 -0.36 0.00 0.00 55.97 58.34 3djc s LYS 92 Cb -0.17 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3djc s LYS 92 CO 0.56 -0.70 -0.01 0.25 -0.36 0.00 0.00 175.35 175.09 3djc n THR 93 N 4.97 0.14 -0.58 3.43 -2.24 -1.26 -4.78 114.28 113.97 3djc n THR 93 Ca 0.15 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3djc n THR 93 Cb 0.43 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 3.08 0.75 3.16 3.38 0.00 -1.26 -4.88 105.19 109.42 3djc n GLY 94 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.08 -0.70 0.99 0.05 -1.26 -4.97 118.68 114.87 3djc s LEU 95 Ca 0.00 -0.36 -0.27 0.00 0.05 0.00 0.00 54.13 53.55 3djc s LEU 95 Cb 0.00 -0.82 0.01 0.00 -2.05 0.00 0.00 46.19 43.34 3djc s LEU 95 CO 0.00 0.16 1.48 0.20 -0.55 0.00 0.00 176.35 177.64 3djc s ASN 96 N -0.66 5.86 -0.69 1.48 -0.87 -1.01 -4.86 114.94 114.19 3djc s ASN 96 Ca 0.06 -0.20 -0.27 0.00 -1.57 0.00 0.00 52.86 50.88 3djc s ASN 96 Cb -0.07 -2.55 0.03 0.00 -0.02 0.00 0.00 41.25 38.64 3djc s ASN 96 CO 0.00 -2.02 1.25 -0.63 -2.57 0.00 0.00 177.10 173.13 3djc s ILE 97 N 6.87 3.81 -1.65 0.60 1.01 -1.26 -0.33 121.20 130.24 3djc s ILE 97 Ca 0.46 0.56 0.04 0.00 0.00 0.00 0.00 60.65 61.70 3djc s ILE 97 Cb -0.09 -4.86 0.14 0.00 0.01 0.00 0.00 42.46 37.65 3djc s ILE 97 CO 0.17 -1.70 0.99 0.29 0.00 0.00 0.00 174.94 174.69 3djc n LYS 98 N 9.09 1.46 -1.16 2.79 4.01 0.27 -4.79 118.16 129.84 3djc n LYS 98 Ca 0.05 -0.55 -0.32 0.00 -0.51 0.00 0.00 58.31 56.98 3djc n LYS 98 Cb 0.49 -1.28 0.11 0.00 -0.51 0.00 0.00 35.03 33.85 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 -1.67 2.14 0.04 2.13 1.51 -1.26 -4.93 117.35 115.31 3djc s TYR 99 Ca 0.10 1.65 -0.28 0.00 -1.01 0.00 0.00 57.07 57.52 3djc s TYR 99 Cb 0.06 -3.26 -0.17 0.00 -0.11 0.00 0.00 41.96 38.48 3djc s TYR 99 CO 0.05 -2.31 1.37 0.00 -1.11 0.00 0.00 175.55 173.56 3djc h ARG 100 N -1.06 -0.68 -3.95 -0.62 3.08 -1.97 -3.35 114.38 105.83 3djc h ARG 100 Ca -0.45 0.05 -0.70 0.00 0.07 0.00 0.00 59.98 58.95 3djc h ARG 100 Cb 1.26 0.15 -0.35 0.00 0.08 0.00 0.00 29.97 31.12 3djc h ARG 100 CO 0.48 -0.38 -0.42 -0.80 -1.07 0.00 0.00 179.97 177.78 3djc s ASN 101 N -4.69 5.30 0.17 7.04 0.02 -1.26 -5.00 114.94 116.52 3djc s ASN 101 Ca -0.15 -2.51 0.09 0.00 -1.02 0.00 0.00 52.86 49.26 3djc s ASN 101 Cb 0.03 -1.86 0.48 0.00 0.02 0.00 0.00 41.25 39.92 3djc s ASN 101 CO 0.55 -0.45 1.18 -2.65 0.02 0.00 0.00 177.10 175.75 3djc n PRO 102 N 3.96 0.06 0.20 -0.60 -0.02 -1.26 -1.16 135.00 136.18 3djc n PRO 102 Ca 0.03 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 3djc n PRO 102 Cb 0.39 -1.85 0.32 0.00 -0.02 0.00 0.00 33.50 32.34 3djc n PRO 102 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3djc h VAL 103 N 0.00 0.51 -0.93 -1.45 2.07 -1.95 -3.26 116.25 111.24 3djc h VAL 103 Ca 0.00 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.19 3djc h VAL 103 Cb 0.31 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3djc h VAL 103 CO 0.00 0.24 0.61 -0.33 0.02 0.00 0.00 177.57 178.12 3djc h GLU 104 N 0.00 1.18 -6.39 1.57 5.08 -1.59 -3.42 114.58 111.02 3djc h GLU 104 Ca -0.00 -0.07 -0.53 0.00 -1.00 0.00 0.00 59.36 57.75 3djc h GLU 104 Cb 0.94 -0.27 0.02 0.00 0.50 0.00 0.00 28.75 29.94 3djc h GLU 104 CO 0.03 0.78 1.13 0.08 -1.00 0.00 0.00 179.01 180.03 3djc s VAL 105 N -6.01 3.04 0.73 3.13 1.01 -1.23 -4.96 120.40 116.11 3djc s VAL 105 Ca -0.12 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 3djc s VAL 105 Cb 0.18 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.43 3djc s VAL 105 CO 0.81 -0.01 1.15 -0.83 0.00 0.00 0.00 175.10 176.21 3djc s GLY 106 N 3.44 2.14 0.49 4.51 0.00 -1.26 -4.89 107.32 111.75 3djc s GLY 106 Ca 0.81 0.66 0.17 0.00 0.00 0.00 0.00 44.72 46.36 3djc s GLY 106 CO 0.36 1.04 2.09 0.00 0.00 0.00 0.00 173.10 176.59 3djc h ALA 107 N -0.41 1.78 -0.46 3.20 0.00 -1.87 -2.34 119.26 119.16 3djc h ALA 107 Ca -0.46 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3djc h ALA 107 Cb 1.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3djc h ALA 107 CO 0.51 0.11 -0.06 0.38 0.00 0.00 0.00 179.25 180.19 3djc h ASP 108 N 0.00 0.78 0.33 0.00 2.03 -1.92 -0.51 116.42 117.13 3djc h ASP 108 Ca -0.00 -0.22 -0.18 0.00 -0.73 0.00 0.00 57.03 55.90 3djc h ASP 108 Cb 0.16 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.44 3djc h ASP 108 CO 0.01 0.89 -0.73 0.03 -1.03 0.00 0.00 179.24 178.40 3djc h ARG 109 N 0.74 0.34 -0.16 4.15 2.47 -1.80 -2.66 114.38 117.45 3djc h ARG 109 Ca 0.13 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 3djc h ARG 109 Cb 0.53 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3djc h ARG 109 CO 0.03 0.93 -0.18 0.82 0.56 0.00 0.00 179.97 182.13 3djc h ILE 110 N 0.23 1.34 -0.90 2.04 2.04 -1.37 -2.77 117.51 118.11 3djc h ILE 110 Ca -0.03 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.51 3djc h ILE 110 Cb 1.30 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 3djc h ILE 110 CO 0.12 0.40 0.59 0.00 0.00 0.00 0.00 178.15 179.26 3djc h ALA 111 N 0.61 1.19 -0.57 1.87 0.00 -1.10 -0.60 119.26 120.66 3djc h ALA 111 Ca 0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3djc h ALA 111 Cb 0.72 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3djc h ALA 111 CO 0.04 0.46 -0.03 -0.91 0.00 0.00 0.00 179.25 178.81 3djc h ASN 112 N 1.15 1.00 -0.31 0.00 2.35 -1.54 -2.65 115.58 115.58 3djc h ASN 112 Ca 0.36 -0.29 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 3djc h ASN 112 Cb -0.01 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 3djc h ASN 112 CO -0.11 1.07 -0.51 0.00 -1.65 0.00 0.00 177.43 176.23 3djc h ALA 113 N 1.03 0.47 -0.44 -0.83 0.00 -1.14 0.94 119.26 119.29 3djc h ALA 113 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3djc h ALA 113 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3djc h ALA 113 CO 0.03 0.66 0.29 0.82 0.00 0.00 0.00 179.25 181.06 3djc h ILE 114 N 0.67 1.12 -0.23 0.00 2.04 -1.17 -1.99 117.51 117.95 3djc h ILE 114 Ca 0.02 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 3djc h ILE 114 Cb 1.11 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3djc h ILE 114 CO 0.12 0.11 -0.52 0.00 0.00 0.00 0.00 178.15 177.86 3djc h ALA 115 N 1.16 0.66 -0.69 1.87 0.00 -1.37 -2.37 119.26 118.52 3djc h ALA 115 Ca 0.16 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3djc h ALA 115 Cb -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3djc h ALA 115 CO -0.03 0.68 0.16 0.00 0.00 0.00 0.00 179.25 180.06 3djc h ALA 116 N 0.91 0.98 -0.00 0.00 0.00 -0.76 -2.47 119.26 117.92 3djc h ALA 116 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3djc h ALA 116 Cb 1.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3djc h ALA 116 CO 0.10 0.66 -0.24 0.25 0.00 0.00 0.00 179.25 180.02 3djc n THR 117 N -4.23 0.00 0.03 0.00 -2.24 -0.75 -1.68 114.28 105.41 3djc n THR 117 Ca 0.05 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 3djc n THR 117 Cb 0.26 0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.59 0.51 0.09 4.78 6.17 -1.34 -3.31 115.15 122.64 3djc h HIS 118 Ca 0.00 -0.37 -0.29 0.00 0.71 0.00 0.00 60.37 60.42 3djc h HIS 118 Cb 0.45 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 3djc h HIS 118 CO 0.00 1.64 -1.45 0.77 0.71 0.00 0.00 177.93 179.61 3djc h SER 119 N 0.08 0.30 -2.30 3.26 0.02 -1.48 -3.39 113.55 110.03 3djc h SER 119 Ca -0.37 -0.40 -0.59 0.00 -0.84 0.00 0.00 61.79 59.59 3djc h SER 119 Cb 2.05 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 64.09 3djc h SER 119 CO 0.12 1.33 -0.81 0.49 -1.14 0.00 0.00 176.83 176.82 3djc n PHE 120 N -3.40 1.62 0.12 3.45 3.72 -0.68 -5.06 117.46 117.23 3djc n PHE 120 Ca -0.13 -3.87 -0.06 0.00 -0.05 0.00 0.00 57.45 53.34 3djc n PHE 120 Cb 1.03 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 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 4.53 -0.34 -2.01 -1.08 0.11 -1.77 -3.30 132.00 128.14 3djc h PRO 121 Ca 0.16 0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.71 3djc h PRO 121 Cb 0.78 0.08 -0.20 0.00 0.11 0.00 0.00 31.00 31.77 3djc h PRO 121 CO 0.63 -0.23 0.62 0.09 -0.21 0.00 0.00 178.00 178.90 3djc n ASN 122 N -3.19 6.81 -4.02 -2.05 5.03 -1.26 -4.88 115.26 111.71 3djc n ASN 122 Ca -0.04 -3.39 -0.14 0.00 0.87 0.00 0.00 54.58 51.87 3djc n ASN 122 Cb 0.15 -1.19 -0.13 0.00 -1.02 0.00 0.00 39.78 37.60 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3djc s GLN 123 N -2.42 0.47 0.09 3.52 -0.21 -1.24 -4.83 119.66 115.04 3djc s GLN 123 Ca 0.57 -0.52 -0.31 0.00 0.02 0.00 0.00 55.36 55.12 3djc s GLN 123 Cb 0.40 -0.32 -0.07 0.00 1.00 0.00 0.00 33.01 34.02 3djc s GLN 123 CO -0.28 0.07 1.27 -0.80 -2.12 0.00 0.00 175.29 173.43 3djc s ASN 124 N -0.99 6.98 -0.04 5.90 0.01 -1.26 -3.46 114.94 122.08 3djc s ASN 124 Ca -0.05 2.16 0.02 0.00 -0.71 0.00 0.00 52.86 54.27 3djc s ASN 124 Cb -0.07 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.02 3djc s ASN 124 CO 0.00 -0.53 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.36 3djc s ILE 125 N 0.96 0.68 -0.42 0.60 1.01 -0.09 -0.72 121.20 123.21 3djc s ILE 125 Ca 0.60 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 3djc s ILE 125 Cb -0.33 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.52 3djc s ILE 125 CO 0.30 0.24 0.31 -0.63 0.00 0.00 0.00 174.94 175.17 3djc s ILE 126 N 0.63 5.18 -0.26 2.92 1.01 -0.52 -2.01 121.20 128.15 3djc s ILE 126 Ca -0.09 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 3djc s ILE 126 Cb -0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3djc s ILE 126 CO 0.01 -0.36 0.40 0.54 0.00 0.00 0.00 174.94 175.53 3djc s VAL 127 N 1.66 5.16 -0.17 2.92 0.11 -0.96 -0.91 120.40 128.22 3djc s VAL 127 Ca 0.05 0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 59.66 3djc s VAL 127 Cb -0.20 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 3djc s VAL 127 CO 0.09 0.16 0.09 -0.63 -3.33 0.00 0.00 175.10 171.47 3djc s ILE 128 N 2.03 5.03 -0.32 7.04 1.01 0.80 -1.75 121.20 135.04 3djc s ILE 128 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.89 3djc s ILE 128 Cb -0.16 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.16 3djc s ILE 128 CO 0.10 0.50 0.02 -0.62 0.00 0.00 0.00 174.94 174.93 3djc s ASP 129 N -0.01 4.73 -1.26 3.58 3.68 -0.64 -0.95 116.67 125.80 3djc s ASP 129 Ca 0.07 -1.94 -0.17 0.00 2.13 0.00 0.00 52.55 52.64 3djc s ASP 129 Cb -0.12 -1.62 0.09 0.00 -1.45 0.00 0.00 42.92 39.82 3djc s ASP 129 CO 0.00 -0.34 1.64 -0.36 0.13 0.00 0.00 175.17 176.24 3djc s PHE 130 N 0.97 2.95 0.00 -5.34 0.40 0.04 -2.16 117.98 114.84 3djc s PHE 130 Ca 0.06 -1.71 0.00 0.00 -0.60 0.00 0.00 56.93 54.67 3djc s PHE 130 Cb -0.19 -4.64 0.00 0.00 0.51 0.00 0.00 43.02 38.70 3djc s PHE 130 CO -0.07 -1.71 0.00 0.41 0.70 0.00 0.00 175.22 174.55 3djc n GLY 131 N 5.16 2.53 0.05 4.36 0.00 -1.26 -2.10 105.19 113.92 3djc n GLY 131 Ca 0.45 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 1.09 -3.53 2.61 2.02 -1.98 -3.43 112.91 109.69 3djc h THR 132 Ca 0.00 -0.25 -0.66 0.00 0.77 0.00 0.00 66.41 66.26 3djc h THR 132 Cb 0.00 1.20 -0.17 0.00 -1.74 0.00 0.00 68.15 67.43 3djc h THR 132 CO 0.00 0.07 -0.78 0.00 0.37 0.00 0.00 175.52 175.18 3djc s ALA 133 N -5.79 2.74 -0.44 6.16 0.00 -1.26 -1.93 121.76 121.25 3djc s ALA 133 Ca -0.14 -1.39 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 3djc s ALA 133 Cb 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3djc s ALA 133 CO 0.67 0.56 0.77 0.99 0.00 0.00 0.00 175.76 178.75 3djc s THR 134 N -1.30 4.68 0.01 0.00 2.01 0.11 -4.53 115.64 116.62 3djc s THR 134 Ca 0.20 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.68 3djc s THR 134 Cb -0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 3djc s THR 134 CO 0.11 -0.66 0.04 0.42 -0.69 0.00 0.00 174.62 173.84 3djc s THR 135 N 3.22 4.42 -0.21 -0.82 -4.23 -0.92 -0.30 115.64 116.80 3djc s THR 135 Ca 0.29 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3djc s THR 135 Cb -0.12 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.75 3djc s THR 135 CO 0.21 0.33 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.20 3djc s PHE 136 N -1.17 2.24 -0.14 3.99 0.40 0.40 -1.61 117.98 122.08 3djc s PHE 136 Ca 0.22 -1.56 -0.01 0.00 -0.60 0.00 0.00 56.93 54.97 3djc s PHE 136 Cb -0.12 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 3djc s PHE 136 CO 0.13 -0.73 -0.10 0.00 0.70 0.00 0.00 175.22 175.22 3djc s ALA 138 N 0.37 3.59 -0.06 0.00 0.00 0.13 -2.25 121.76 123.53 3djc s ALA 138 Ca -0.08 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3djc s ALA 138 Cb -0.15 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.52 3djc s ALA 138 CO 0.05 -0.27 -0.10 0.42 0.00 0.00 0.00 175.76 175.86 3djc s ILE 139 N 1.23 0.93 0.61 0.00 1.01 -0.85 -0.88 121.20 123.25 3djc s ILE 139 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 3djc s ILE 139 Cb -0.14 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.46 3djc s ILE 139 CO 0.06 0.31 0.93 -0.94 0.00 0.00 0.00 174.94 175.30 3djc s SER 140 N 0.76 5.57 0.67 3.58 1.04 -0.24 -0.92 113.70 124.16 3djc s SER 140 Ca -0.13 0.78 0.44 0.00 0.48 0.00 0.00 55.95 57.52 3djc s SER 140 Cb -0.15 -1.74 2.42 0.00 0.10 0.00 0.00 66.02 66.65 3djc s SER 140 CO 0.02 -1.10 2.36 1.12 0.98 0.00 0.00 173.24 176.62 3djc h HIS 141 N -0.25 0.00 -0.18 5.02 2.07 -1.88 -1.30 115.15 118.64 3djc h HIS 141 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 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 -3.08 1.88 -1.94 5.12 5.02 -1.26 -4.44 118.16 119.47 3djc n LYS 142 Ca -0.03 -0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 55.23 3djc n LYS 142 Cb 0.08 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 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 0.15 -1.59 -3.05 1.97 5.02 -0.49 -4.85 118.16 115.32 3djc n LYS 143 Ca 0.08 1.03 -0.40 0.00 -2.02 0.00 0.00 58.31 56.99 3djc n LYS 143 Cb 0.40 -5.52 -0.05 0.00 -0.02 0.00 0.00 35.03 29.84 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 -2.76 3.54 -0.39 7.82 0.00 -1.25 -2.39 121.76 126.32 3djc s ALA 144 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 3djc s ALA 144 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.10 3djc s ALA 144 CO 0.00 -0.58 1.03 -0.47 0.00 0.00 0.00 175.76 175.74 3djc s TYR 145 N 1.97 3.02 -0.08 0.00 5.04 0.55 -1.08 117.35 126.77 3djc s TYR 145 Ca 0.31 0.86 0.14 0.00 -2.44 0.00 0.00 57.07 55.95 3djc s TYR 145 Cb -0.16 -3.89 -0.22 0.00 0.35 0.00 0.00 41.96 38.04 3djc s TYR 145 CO 0.11 -0.94 0.60 1.28 -1.34 0.00 0.00 175.55 175.26 3djc n LEU 146 N 7.11 0.72 0.00 6.97 4.77 -0.05 -0.56 117.00 135.96 3djc n LEU 146 Ca 0.10 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3djc n LEU 146 Cb 0.48 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3djc n LEU 146 CO 0.62 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3djc n GLY 147 N 1.55 0.43 0.00 -0.72 0.00 -1.22 -4.60 105.19 100.63 3djc n GLY 147 Ca -0.18 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.26 3.05 -0.02 0.00 -1.26 -0.70 105.19 106.01 3djc n GLY 148 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 0.48 -0.23 4.61 0.00 -0.25 -5.01 121.76 120.36 3djc s ALA 149 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3djc s ALA 149 Cb 0.00 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.30 3djc s ALA 149 CO 0.00 -0.13 -0.00 0.42 0.00 0.00 0.00 175.76 176.04 3djc s ILE 150 N -1.98 1.14 0.18 0.00 1.01 -1.26 -0.46 121.20 119.83 3djc s ILE 150 Ca -0.07 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 3djc s ILE 150 Cb -0.06 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3djc s ILE 150 CO -0.02 -0.21 0.40 -0.76 0.00 0.00 0.00 174.94 174.36 3djc s LEU 151 N 1.56 4.22 0.71 2.97 1.43 0.59 -4.98 118.68 125.19 3djc s LEU 151 Ca -0.02 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.46 3djc s LEU 151 Cb -0.18 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3djc s LEU 151 CO -0.09 -0.02 1.13 -2.16 0.23 0.00 0.00 176.35 175.45 3djc s PRO 152 N -3.04 2.45 1.20 1.29 0.04 -1.26 0.10 135.00 135.77 3djc s PRO 152 Ca 0.40 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 3djc s PRO 152 Cb -0.11 -1.90 0.28 0.00 0.04 0.00 0.00 34.50 32.81 3djc s PRO 152 CO 0.27 -1.53 1.04 0.20 0.04 0.00 0.00 177.00 177.02 3djc s GLY 153 N -2.61 1.52 0.16 0.56 0.00 -0.81 -3.89 107.32 102.26 3djc s GLY 153 Ca 0.67 -0.54 0.08 0.00 0.00 0.00 0.00 44.72 44.94 3djc s GLY 153 CO 0.46 0.26 1.36 1.41 0.00 0.00 0.00 173.10 176.59 3djc h LEU 154 N -2.64 0.00 -0.10 0.66 3.38 -1.84 -2.28 115.31 112.49 3djc h LEU 154 Ca -0.53 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 3djc h LEU 154 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3djc h LEU 154 CO 0.44 0.89 -0.22 -0.09 0.09 0.00 0.00 178.44 179.55 3djc h ARG 155 N 0.00 0.33 -0.35 1.13 9.65 -1.89 -2.23 114.38 121.02 3djc h ARG 155 Ca -0.01 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 58.68 3djc h ARG 155 Cb 1.60 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 30.19 3djc h ARG 155 CO 0.12 0.82 0.24 -0.07 2.80 0.00 0.00 179.97 183.87 3djc h LEU 156 N -0.11 0.31 -0.01 3.80 3.38 -1.83 -0.62 115.31 120.23 3djc h LEU 156 Ca 0.00 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3djc h LEU 156 Cb 0.81 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3djc h LEU 156 CO 0.05 0.21 -1.11 0.28 0.09 0.00 0.00 178.44 177.96 3djc h SER 157 N 0.36 0.44 1.50 -0.43 0.02 -1.38 0.12 113.55 114.18 3djc h SER 157 Ca 0.14 -0.42 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 3djc h SER 157 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3djc h SER 157 CO -0.03 1.28 -0.22 0.00 -1.14 0.00 0.00 176.83 176.72 3djc h ALA 158 N 0.67 0.90 0.01 3.77 0.00 -1.12 -3.23 119.26 120.26 3djc h ALA 158 Ca -0.11 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 3djc h ALA 158 Cb 1.79 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 3djc h ALA 158 CO 0.18 0.27 -1.88 -0.25 0.00 0.00 0.00 179.25 177.57 3djc n ASP 159 N -3.20 0.82 -0.13 0.00 10.43 -0.26 -3.92 116.55 120.28 3djc n ASP 159 Ca 0.02 0.31 -0.04 0.00 2.57 0.00 0.00 54.79 57.65 3djc n ASP 159 Cb 0.55 0.08 0.17 0.00 1.84 0.00 0.00 41.12 43.76 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 0.91 1.16 0.18 2.24 0.00 -0.82 -0.67 119.26 122.26 3djc h ALA 160 Ca -0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3djc h ALA 160 Cb 2.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3djc h ALA 160 CO 0.07 0.56 -0.09 -0.07 0.00 0.00 0.00 179.25 179.72 3djc h LEU 161 N 0.79 -0.21 -1.06 0.00 3.38 -1.74 -2.64 115.31 113.84 3djc h LEU 161 Ca 0.17 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3djc h LEU 161 Cb 0.36 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3djc h LEU 161 CO 0.01 0.07 -0.45 0.77 0.09 0.00 0.00 178.44 178.92 3djc h SER 162 N -0.49 0.04 -0.02 -0.43 4.64 -1.66 -3.16 113.55 112.46 3djc h SER 162 Ca -0.03 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 3djc h SER 162 Cb 0.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3djc h SER 162 CO 0.04 0.49 -0.72 0.50 -0.87 0.00 0.00 176.83 176.27 3djc h LYS 163 N 0.03 0.66 -0.79 4.77 3.64 -1.15 -3.32 116.57 120.42 3djc h LYS 163 Ca -0.00 -0.51 -0.47 0.00 -1.27 0.00 0.00 60.65 58.40 3djc h LYS 163 Cb 0.81 0.10 -0.26 0.00 -0.41 0.00 0.00 32.23 32.47 3djc h LYS 163 CO 0.06 1.13 0.33 0.09 -2.27 0.00 0.00 179.45 178.79 3djc n ASN 164 N -3.91 4.57 -3.78 4.20 4.13 -1.00 -4.92 115.26 114.55 3djc n ASN 164 Ca -0.06 -3.73 -0.13 0.00 1.68 0.00 0.00 54.58 52.34 3djc n ASN 164 Cb 0.71 -0.76 -0.14 0.00 -1.54 0.00 0.00 39.78 38.05 3djc n ASN 164 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3djc s THR 165 N -3.85 -0.03 -0.09 3.41 2.01 -1.20 -5.01 115.64 110.89 3djc s THR 165 Ca 0.55 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 3djc s THR 165 Cb 0.46 -0.23 -0.16 0.00 0.01 0.00 0.00 72.50 72.59 3djc s THR 165 CO 0.04 0.04 2.40 0.00 -0.69 0.00 0.00 174.62 176.40 3djc n ALA 166 N 3.67 4.35 -3.63 7.40 0.00 -1.26 -4.90 120.51 126.14 3djc n ALA 166 Ca -0.20 -1.21 -0.03 0.00 0.00 0.00 0.00 53.44 52.00 3djc n ALA 166 Cb 0.55 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 3djc n ALA 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3djc s VAL 171 N 1.91 0.00 0.14 0.00 0.11 -1.26 -5.16 120.40 116.15 3djc s VAL 171 Ca 0.41 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.21 3djc s VAL 171 Cb 0.19 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 3djc s VAL 171 CO -0.00 0.00 0.78 -1.61 -3.33 0.00 0.00 175.10 170.93 3djc s GLU 172 N -1.71 4.55 0.21 1.54 2.02 -1.26 -4.90 118.70 119.15 3djc s GLU 172 Ca 0.09 1.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.93 3djc s GLU 172 Cb -0.01 -3.28 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 3djc s GLU 172 CO -0.05 0.52 1.03 0.42 0.02 0.00 0.00 175.26 177.20 3djc s ILE 173 N -0.94 3.95 -0.12 -1.63 -1.09 -1.26 -5.05 121.20 115.06 3djc s ILE 173 Ca 0.36 1.80 -0.28 0.00 -2.23 0.00 0.00 60.65 60.31 3djc s ILE 173 Cb -0.23 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 3djc s ILE 173 CO 0.26 0.36 0.94 -0.75 -1.23 0.00 0.00 174.94 174.52 3djc s LYS 175 N -0.76 4.38 -0.20 2.79 2.20 -1.26 -5.11 119.74 121.78 3djc s LYS 175 Ca 0.45 1.25 -0.04 0.00 -0.36 0.00 0.00 55.97 57.27 3djc s LYS 175 Cb -0.28 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3djc s LYS 175 CO 0.34 -0.30 -0.02 0.99 -0.36 0.00 0.00 175.35 176.00 3djc s THR 176 N 2.01 3.75 -0.16 3.43 2.01 -1.26 -4.97 115.64 120.45 3djc s THR 176 Ca 0.45 -0.38 0.22 0.00 0.31 0.00 0.00 61.69 62.28 3djc s THR 176 Cb -0.18 -2.69 -0.13 0.00 0.01 0.00 0.00 72.50 69.52 3djc s THR 176 CO 0.16 0.43 0.82 1.21 -0.69 0.00 0.00 174.62 176.55 3djc n GLU 177 N 4.32 0.63 -3.61 4.92 2.13 -1.26 -4.89 120.64 122.87 3djc n GLU 177 Ca -0.17 0.03 -0.36 0.00 0.66 0.00 0.00 57.16 57.31 3djc n GLU 177 Cb 0.52 -1.72 -0.08 0.00 0.27 0.00 0.00 31.44 30.42 3djc n GLU 177 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3djc s SER 178 N -5.15 6.26 -0.18 4.31 0.01 -1.26 -4.98 113.70 112.71 3djc s SER 178 Ca -0.03 0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 3djc s SER 178 Cb 0.11 -2.14 -0.22 0.00 0.21 0.00 0.00 66.02 63.97 3djc s SER 178 CO 0.83 0.08 0.13 0.52 0.41 0.00 0.00 173.24 175.20 3djc n VAL 179 N 3.96 1.67 -2.88 3.43 0.31 -1.26 -4.56 118.33 118.99 3djc n VAL 179 Ca -0.14 -0.62 -0.43 0.00 -0.01 0.00 0.00 64.34 63.15 3djc n VAL 179 Cb 0.52 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 3djc n VAL 179 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3djc s VAL 180 N -2.54 4.62 0.06 2.52 1.01 -1.26 -4.85 120.40 119.95 3djc s VAL 180 Ca -0.27 0.90 -0.20 0.00 0.00 0.00 0.00 61.98 62.40 3djc s VAL 180 Cb 0.08 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 3djc s VAL 180 CO 0.70 -0.58 0.60 -0.83 0.00 0.00 0.00 175.10 174.99 3djc s GLY 181 N 1.98 2.68 -0.16 4.51 0.00 -1.26 -4.97 107.32 110.09 3djc s GLY 181 Ca 0.34 0.07 0.16 0.00 0.00 0.00 0.00 44.72 45.29 3djc s GLY 181 CO 0.20 0.62 1.18 -0.96 0.00 0.00 0.00 173.10 174.13 3djc n ARG 182 N 2.07 1.39 -3.79 2.90 1.85 -1.26 -4.80 116.66 115.02 3djc n ARG 182 Ca -0.09 -2.85 -0.10 0.00 -1.00 0.00 0.00 57.85 53.82 3djc n ARG 182 Cb 0.51 -1.54 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 3djc n ARG 182 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3djc s SER 183 N -3.01 -0.14 0.17 2.89 0.15 -1.26 -5.00 113.70 107.50 3djc s SER 183 Ca 0.34 -0.57 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 3djc s SER 183 Cb 0.31 0.50 0.06 0.00 -1.71 0.00 0.00 66.02 65.18 3djc s SER 183 CO -0.01 -0.95 1.53 0.74 1.20 0.00 0.00 173.24 175.75 3djc h THR 184 N 2.37 1.28 0.00 6.45 2.02 -1.98 0.35 112.91 123.39 3djc h THR 184 Ca -0.31 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.32 3djc h THR 184 Cb 1.25 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3djc h THR 184 CO 0.44 0.51 0.00 2.30 0.37 0.00 0.00 175.52 179.13 3djc n ILE 185 N -4.05 0.14 -0.09 3.11 -6.64 -1.26 -2.53 119.36 108.04 3djc n ILE 185 Ca -0.02 0.04 -0.12 0.00 -1.77 0.00 0.00 62.75 60.88 3djc n ILE 185 Cb 0.53 -0.61 -0.10 0.00 -1.44 0.00 0.00 39.64 38.02 3djc n ILE 185 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 3djc n GLU 186 N -1.25 0.76 0.24 6.28 2.13 -1.05 -4.24 120.64 123.50 3djc n GLU 186 Ca 0.13 0.08 0.13 0.00 0.66 0.00 0.00 57.16 58.16 3djc n GLU 186 Cb 0.19 -1.40 0.44 0.00 0.27 0.00 0.00 31.44 30.94 3djc n GLU 186 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3djc h SER 187 N 0.00 0.00 0.59 4.31 0.02 -0.96 -1.98 113.55 115.53 3djc h SER 187 Ca -0.44 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.32 3djc h SER 187 Cb 1.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 3djc h SER 187 CO -0.04 0.10 -0.85 -0.29 -1.14 0.00 0.00 176.83 174.61 3djc h ILE 188 N 0.00 1.50 0.00 3.27 2.10 -1.70 -1.60 117.51 121.08 3djc h ILE 188 Ca -0.00 -2.59 0.00 0.00 1.08 0.00 0.00 64.86 63.35 3djc h ILE 188 Cb 0.78 2.44 0.00 0.00 -1.09 0.00 0.00 36.82 38.94 3djc h ILE 188 CO 0.01 0.75 -1.09 0.00 -1.08 0.00 0.00 178.15 176.74 3djc n GLN 189 N -3.66 0.22 0.06 2.19 10.64 -1.20 -1.61 117.38 124.02 3djc n GLN 189 Ca -0.03 -0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 54.98 3djc n GLN 189 Cb 0.79 -1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 28.59 3djc n GLN 189 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 3djc h SER 190 N 0.00 0.55 0.22 2.61 0.02 -1.41 -2.68 113.55 112.87 3djc h SER 190 Ca 0.00 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 3djc h SER 190 Cb 0.67 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3djc h SER 190 CO 0.00 1.20 -0.11 1.23 -1.14 0.00 0.00 176.83 178.01 3djc h GLY 191 N 1.20 -0.31 0.93 -3.77 0.00 -1.34 -3.15 103.07 96.63 3djc h GLY 191 Ca -0.07 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3djc h GLY 191 CO 0.15 -0.11 0.02 -2.08 0.00 0.00 0.00 176.54 174.52 3djc h VAL 192 N -0.74 1.07 0.06 4.60 2.07 -1.42 -0.17 116.25 121.73 3djc h VAL 192 Ca -0.03 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3djc h VAL 192 Cb 0.50 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3djc h VAL 192 CO 0.05 0.06 -0.03 0.22 0.02 0.00 0.00 177.57 177.89 3djc h TYR 193 N -0.02 -0.07 0.00 1.57 3.20 -1.63 -2.84 116.97 117.18 3djc h TYR 193 Ca 0.02 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3djc h TYR 193 Cb 0.08 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3djc h TYR 193 CO -0.05 0.24 0.00 1.88 -1.64 0.00 0.00 178.16 178.59 3djc h TYR 194 N -0.38 0.00 -0.01 -3.82 0.05 -1.62 -2.71 116.97 108.48 3djc h TYR 194 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 3djc h TYR 194 Cb 0.34 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.09 3djc h TYR 194 CO 0.03 0.00 -0.34 0.78 -1.05 0.00 0.00 178.16 177.58 3djc h GLY 195 N 4.31 0.27 2.00 3.88 0.00 -0.98 -3.10 103.07 109.45 3djc h GLY 195 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3djc h GLY 195 CO 0.00 0.40 -0.08 -0.24 0.00 0.00 0.00 176.54 176.63 3djc h VAL 196 N -0.38 0.13 -0.66 4.60 3.04 -1.58 -1.89 116.25 119.51 3djc h VAL 196 Ca -0.04 -1.18 -0.07 0.00 -1.01 0.00 0.00 66.70 64.40 3djc h VAL 196 Cb 1.07 2.06 -0.03 0.00 -2.01 0.00 0.00 31.29 32.39 3djc h VAL 196 CO 0.07 0.07 0.15 0.25 -1.01 0.00 0.00 177.57 177.10 3djc h LEU 197 N 0.00 1.01 0.00 3.16 7.12 -1.56 -2.23 115.31 122.80 3djc h LEU 197 Ca -0.00 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.77 3djc h LEU 197 Cb 1.06 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 3djc h LEU 197 CO 0.01 0.99 -0.90 0.61 -0.13 0.00 0.00 178.44 179.01 3djc n GLY 198 N -0.64 -1.28 0.12 3.75 0.00 -1.17 -2.94 105.19 103.03 3djc n GLY 198 Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3djc n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc h ALA 199 N 2.51 -0.21 -0.64 4.61 0.00 -1.26 -1.88 119.26 122.39 3djc h ALA 199 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3djc h ALA 199 Cb 0.74 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3djc h ALA 199 CO 0.00 -0.51 0.40 0.00 0.00 0.00 0.00 179.25 179.14 3djc h LYS 201 N 0.79 1.03 0.10 0.00 1.57 -1.51 0.13 116.57 118.66 3djc h LYS 201 Ca 0.25 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3djc h LYS 201 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3djc h LYS 201 CO -0.10 0.72 -0.05 1.49 -0.57 0.00 0.00 179.45 180.95 3djc h GLU 202 N 1.04 -0.12 -0.60 3.15 4.57 -1.15 -3.22 114.58 118.26 3djc h GLU 202 Ca 0.27 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.53 3djc h GLU 202 Cb -0.04 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 3djc h GLU 202 CO -0.05 0.40 0.29 -0.07 -1.18 0.00 0.00 179.01 178.40 3djc h LEU 203 N -0.79 0.39 0.04 1.64 -0.00 -0.91 -1.91 115.31 113.77 3djc h LEU 203 Ca -0.01 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 3djc h LEU 203 Cb 0.58 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 3djc h LEU 203 CO 0.02 0.25 -0.26 0.40 -0.00 0.00 0.00 178.44 178.86 3djc h ILE 204 N 0.54 0.42 0.00 1.22 2.04 -0.89 -1.25 117.51 119.59 3djc h ILE 204 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 3djc h ILE 204 Cb 0.24 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3djc h ILE 204 CO -0.21 0.00 0.00 0.06 0.00 0.00 0.00 178.15 178.00 3djc h GLN 205 N -0.42 0.00 0.22 2.37 3.07 -1.51 0.10 115.11 118.95 3djc h GLN 205 Ca 0.05 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.45 3djc h GLN 205 Cb 0.48 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.07 3djc h GLN 205 CO -0.20 0.00 -1.58 0.00 0.09 0.00 0.00 178.83 177.14 3djc h ARG 206 N 0.00 0.47 -0.34 0.06 2.47 -1.21 -3.00 114.38 112.83 3djc h ARG 206 Ca 0.00 -0.80 -0.06 0.00 -1.26 0.00 0.00 59.98 57.86 3djc h ARG 206 Cb 0.69 0.30 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 3djc h ARG 206 CO 0.00 1.38 -0.02 0.82 0.56 0.00 0.00 179.97 182.71 3djc h ILE 207 N 0.13 1.26 -0.30 2.04 2.04 -1.03 0.19 117.51 121.84 3djc h ILE 207 Ca -0.29 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 64.65 3djc h ILE 207 Cb 2.14 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3djc h ILE 207 CO 0.23 0.33 0.28 -0.74 0.00 0.00 0.00 178.15 178.26 3djc h HIS 208 N 0.40 0.00 0.00 1.37 2.76 -0.89 0.32 115.15 119.11 3djc h HIS 208 Ca 0.09 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.02 3djc h HIS 208 Cb 0.48 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 3djc h HIS 208 CO 0.04 0.00 -1.93 0.72 -1.30 0.00 0.00 177.93 175.46 3djc n HIS 209 N -3.96 0.00 0.08 5.26 8.25 -1.13 -2.03 115.22 121.69 3djc n HIS 209 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 3djc n HIS 209 Cb 0.44 -0.66 -0.14 0.00 1.12 0.00 0.00 29.99 30.75 3djc n HIS 209 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3djc h GLU 210 N 0.00 0.51 0.09 -0.41 5.08 -0.55 -2.90 114.58 116.40 3djc h GLU 210 Ca -0.37 -0.72 -0.35 0.00 -1.00 0.00 0.00 59.36 56.92 3djc h GLU 210 Cb 1.74 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 31.21 3djc h GLU 210 CO -0.01 1.32 -1.93 0.00 -1.00 0.00 0.00 179.01 177.40 3djc n ALA 211 N -2.67 1.05 -0.02 3.43 0.00 0.09 -4.59 120.51 117.80 3djc n ALA 211 Ca -0.14 -0.64 0.01 0.00 0.00 0.00 0.00 53.44 52.67 3djc n ALA 211 Cb 0.93 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.67 3djc n ALA 211 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3djc n PHE 212 N -3.36 0.05 -1.51 0.00 0.99 -1.13 -5.03 117.46 107.48 3djc n PHE 212 Ca -0.28 -0.48 0.00 0.00 -0.00 0.00 0.00 57.45 56.69 3djc n PHE 212 Cb 1.05 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.48 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 -0.36 -0.35 0.00 4.37 6.94 -1.03 -0.78 115.26 124.05 3djc n ASN 213 Ca 0.01 0.17 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 3djc n ASN 213 Cb 0.26 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djc n GLY 214 N -0.17 0.96 3.80 4.83 0.00 -0.86 -4.95 105.19 108.80 3djc n GLY 214 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.86 4.66 -0.19 1.61 -0.00 0.04 -4.96 116.67 115.96 3djc s ASP 215 Ca 0.00 1.39 -0.29 0.00 -0.00 0.00 0.00 52.55 53.65 3djc s ASP 215 Cb 0.00 -2.15 -0.04 0.00 -0.00 0.00 0.00 42.92 40.73 3djc s ASP 215 CO 0.00 -1.87 1.92 -1.10 -0.00 0.00 0.00 175.17 174.11 3djc s GLN 216 N -5.12 3.56 0.53 8.23 1.11 -1.26 -4.99 119.66 121.71 3djc s GLN 216 Ca 0.60 1.93 0.07 0.00 0.01 0.00 0.00 55.36 57.97 3djc s GLN 216 Cb -0.14 -4.20 0.04 0.00 -1.01 0.00 0.00 33.01 27.69 3djc s GLN 216 CO 0.54 -1.60 0.49 0.96 0.01 0.00 0.00 175.29 175.69 3djc s ILE 217 N 6.39 1.96 -0.00 1.08 -4.36 -1.26 -4.31 121.20 120.69 3djc s ILE 217 Ca 0.86 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 3djc s ILE 217 Cb -0.31 -2.31 -0.00 0.00 1.25 0.00 0.00 42.46 41.09 3djc s ILE 217 CO 0.34 0.00 -0.04 -0.22 0.24 0.00 0.00 174.94 175.27 3djc s LEU 218 N -4.34 2.02 -0.18 0.37 2.96 0.10 -4.96 118.68 114.65 3djc s LEU 218 Ca 0.43 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3djc s LEU 218 Cb -0.03 -0.18 0.00 0.00 0.50 0.00 0.00 46.19 46.48 3djc s LEU 218 CO 0.27 0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.56 3djc s ILE 219 N -0.17 2.73 -0.03 6.68 1.01 -1.26 -1.44 121.20 128.72 3djc s ILE 219 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3djc s ILE 219 Cb -0.02 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 3djc s ILE 219 CO -0.00 0.50 -0.07 -0.76 0.00 0.00 0.00 174.94 174.60 3djc s LEU 220 N 1.07 3.14 -0.09 2.97 1.02 -0.08 -1.32 118.68 125.38 3djc s LEU 220 Ca -0.00 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.05 3djc s LEU 220 Cb -0.15 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.34 3djc s LEU 220 CO -0.04 0.32 -0.09 0.00 0.02 0.00 0.00 176.35 176.57 3djc s ALA 221 N -0.90 1.23 0.34 4.21 0.00 -0.20 -0.14 121.76 126.30 3djc s ALA 221 Ca 0.15 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3djc s ALA 221 Cb -0.11 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 3djc s ALA 221 CO 0.05 -0.21 -0.01 -0.08 0.00 0.00 0.00 175.76 175.50 3djc s THR 222 N 1.31 1.72 0.00 0.00 -1.32 -0.12 -1.96 115.64 115.26 3djc s THR 222 Ca -0.03 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 3djc s THR 222 Cb -0.14 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 3djc s THR 222 CO -0.04 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 3djc n GLY 223 N -0.76 2.57 0.17 6.08 0.00 -1.26 -0.78 105.19 111.21 3djc n GLY 223 Ca -0.04 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 -1.85 -0.02 0.00 -1.80 -3.01 103.07 96.39 3djc h GLY 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3djc h GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 3djc n PHE 225 N -2.47 0.97 0.08 5.60 3.01 -1.04 -4.59 117.46 119.03 3djc n PHE 225 Ca 0.02 -0.73 -0.15 0.00 1.01 0.00 0.00 57.45 57.60 3djc n PHE 225 Cb 0.26 -0.24 -0.08 0.00 -0.01 0.00 0.00 39.48 39.40 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 2.32 0.25 0.00 4.37 0.00 -1.75 -3.31 119.26 121.14 3djc h ALA 226 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3djc h ALA 226 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3djc h ALA 226 CO 0.19 0.85 0.00 0.77 0.00 0.00 0.00 179.25 181.06 3djc h SER 227 N 0.18 0.00 0.32 0.00 0.02 -1.81 -2.56 113.55 109.70 3djc h SER 227 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3djc h SER 227 Cb 1.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.27 3djc h SER 227 CO 0.18 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.05 3djc n LEU 228 N -2.67 0.00 -1.83 5.07 4.32 -1.25 -2.95 117.00 117.70 3djc n LEU 228 Ca 0.01 0.30 -0.06 0.00 -0.02 0.00 0.00 56.01 56.24 3djc n LEU 228 Cb 0.23 -0.30 0.07 0.00 -1.62 0.00 0.00 43.42 41.80 3djc n LEU 228 CO 0.22 -0.14 0.15 0.49 -1.22 0.00 0.00 177.39 176.88 3djc n PHE 229 N -1.30 1.21 0.97 -1.77 3.72 -0.96 -4.76 117.46 114.56 3djc n PHE 229 Ca 0.07 -1.71 0.13 0.00 -0.05 0.00 0.00 57.45 55.89 3djc n PHE 229 Cb 0.13 -0.25 0.44 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.54 0.26 -0.06 4.37 2.03 -1.15 -3.99 116.55 117.47 3djc n ASP 230 Ca 0.21 0.19 -0.21 0.00 0.52 0.00 0.00 54.79 55.50 3djc n ASP 230 Cb 0.90 -0.18 -0.13 0.00 -0.72 0.00 0.00 41.12 40.98 3djc n ASP 230 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3djc n LYS 231 N -1.56 0.69 0.00 -0.67 3.00 -1.26 -4.68 118.16 113.68 3djc n LYS 231 Ca 0.06 0.27 0.12 0.00 -0.00 0.00 0.00 58.31 58.76 3djc n LYS 231 Cb 0.35 -1.64 0.68 0.00 0.00 0.00 0.00 35.03 34.42 3djc n LYS 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3djc n GLN 232 N -3.60 0.57 -2.94 1.64 3.00 -1.26 -4.87 117.38 109.93 3djc n GLN 232 Ca -0.38 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.53 3djc n GLN 232 Cb 0.97 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.75 3djc n GLN 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3djc n GLY 233 N 0.68 0.15 0.14 1.08 0.00 -1.26 -4.97 105.19 101.01 3djc n GLY 233 Ca 0.15 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3djc n GLY 233 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3djc h LEU 234 N -1.22 0.51 -8.95 0.99 5.85 -1.89 -3.48 115.31 107.12 3djc h LEU 234 Ca -0.29 -0.91 -0.42 0.00 0.84 0.00 0.00 57.88 57.11 3djc h LEU 234 Cb 1.18 -0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.90 3djc h LEU 234 CO 0.27 1.72 -0.68 -0.72 -0.34 0.00 0.00 178.44 178.69 3djc s TYR 235 N -2.53 1.67 -0.11 1.25 1.13 -1.26 -4.98 117.35 112.52 3djc s TYR 235 Ca -0.18 -0.79 -0.13 0.00 -1.41 0.00 0.00 57.07 54.56 3djc s TYR 235 Cb 0.05 -0.94 -0.27 0.00 -1.10 0.00 0.00 41.96 39.70 3djc s TYR 235 CO 0.81 0.12 0.50 -0.44 -2.51 0.00 0.00 175.55 174.03 3djc h ASP 236 N 2.45 0.41 -4.10 -0.18 3.32 -1.63 -3.49 116.42 113.20 3djc h ASP 236 Ca -0.39 -0.87 -0.51 0.00 0.02 0.00 0.00 57.03 55.28 3djc h ASP 236 Cb 1.22 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 3djc h ASP 236 CO 0.65 1.71 -0.82 -1.00 -1.72 0.00 0.00 179.24 178.06 3djc s HIS 237 N -2.51 1.40 -0.55 4.55 3.76 -0.44 -5.02 115.29 116.48 3djc s HIS 237 Ca -0.21 -0.31 -0.07 0.00 -0.15 0.00 0.00 55.06 54.32 3djc s HIS 237 Cb 0.05 -0.92 0.14 0.00 1.11 0.00 0.00 32.58 32.96 3djc s HIS 237 CO 0.77 -0.07 0.41 -1.17 -0.85 0.00 0.00 174.74 173.83 3djc s LEU 238 N -0.18 5.67 -0.51 0.89 2.96 -1.26 -1.04 118.68 125.21 3djc s LEU 238 Ca 0.02 -2.28 -0.04 0.00 -0.22 0.00 0.00 54.13 51.62 3djc s LEU 238 Cb -0.08 -1.97 0.13 0.00 0.50 0.00 0.00 46.19 44.77 3djc s LEU 238 CO 0.00 -0.58 0.32 -0.69 -1.32 0.00 0.00 176.35 174.09 3djc s VAL 239 N 0.80 3.62 0.15 1.68 1.01 -0.83 -4.97 120.40 121.85 3djc s VAL 239 Ca 0.11 -2.38 0.22 0.00 0.00 0.00 0.00 61.98 59.93 3djc s VAL 239 Cb -0.22 -3.41 0.20 0.00 0.00 0.00 0.00 36.38 32.95 3djc s VAL 239 CO -0.03 -0.78 1.80 1.55 0.00 0.00 0.00 175.10 177.64 3djc h PRO 240 N 7.70 0.00 -0.72 2.72 0.13 -1.95 -3.07 132.00 136.82 3djc h PRO 240 Ca -0.09 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.59 3djc h PRO 240 Cb 1.01 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.89 3djc h PRO 240 CO 0.73 0.27 0.15 -0.25 -0.23 0.00 0.00 178.00 178.67 3djc n ASP 241 N -3.45 4.55 -0.27 1.44 9.92 -1.26 -4.39 116.55 123.10 3djc n ASP 241 Ca -0.00 -3.75 -0.03 0.00 -0.53 0.00 0.00 54.79 50.47 3djc n ASP 241 Cb 0.45 -0.70 0.14 0.00 -0.64 0.00 0.00 41.12 40.37 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 1.50 1.01 -1.25 0.64 5.85 -1.93 -2.41 115.31 118.71 3djc h LEU 242 Ca 0.43 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.98 3djc h LEU 242 Cb 1.63 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3djc h LEU 242 CO 0.91 0.84 -0.22 1.62 -0.34 0.00 0.00 178.44 181.25 3djc h VAL 243 N 1.12 1.22 0.02 1.05 3.04 -1.85 -2.94 116.25 117.90 3djc h VAL 243 Ca 0.28 -1.02 -0.26 0.00 -1.01 0.00 0.00 66.70 64.69 3djc h VAL 243 Cb 0.08 1.36 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 3djc h VAL 243 CO -0.04 0.31 -1.36 -0.07 -1.01 0.00 0.00 177.57 175.40 3djc h LEU 244 N 0.22 0.06 -0.81 3.16 3.38 -1.83 -3.03 115.31 116.46 3djc h LEU 244 Ca 0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3djc h LEU 244 Cb 0.51 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3djc h LEU 244 CO 0.03 1.07 0.37 1.56 0.09 0.00 0.00 178.44 181.56 3djc h GLN 245 N 0.01 1.18 0.00 1.13 4.20 -1.45 -2.76 115.11 117.42 3djc h GLN 245 Ca -0.15 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 3djc h GLN 245 Cb 1.90 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 3djc h GLN 245 CO 0.11 0.92 -0.30 0.78 -0.67 0.00 0.00 178.83 179.67 3djc h GLY 246 N 1.15 0.00 0.74 3.46 0.00 -1.56 -0.17 103.07 106.70 3djc h GLY 246 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3djc h GLY 246 CO -0.03 0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.17 3djc h ILE 247 N 0.00 1.34 -0.88 2.60 2.04 -1.51 -1.35 117.51 119.75 3djc h ILE 247 Ca -0.00 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3djc h ILE 247 Cb 0.98 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 3djc h ILE 247 CO 0.04 0.37 0.48 -0.09 0.00 0.00 0.00 178.15 178.95 3djc h ARG 248 N -0.02 1.22 -0.24 2.37 2.43 -1.32 -0.61 114.38 118.21 3djc h ARG 248 Ca 0.03 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 3djc h ARG 248 Cb 0.63 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3djc h ARG 248 CO 0.03 0.89 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.83 3djc h LEU 249 N 1.22 0.69 -0.79 3.80 4.07 -1.05 -2.68 115.31 120.57 3djc h LEU 249 Ca 0.31 -0.34 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 3djc h LEU 249 Cb 0.02 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 3djc h LEU 249 CO -0.05 1.06 -0.51 0.00 -1.08 0.00 0.00 178.44 177.85 3djc h ALA 250 N 0.97 0.97 -0.14 1.53 0.00 -0.80 -2.43 119.26 119.35 3djc h ALA 250 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3djc h ALA 250 Cb 1.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3djc h ALA 250 CO 0.10 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 180.00 3djc h ALA 251 N 1.28 0.19 -0.85 0.00 0.00 -1.13 -3.12 119.26 115.62 3djc h ALA 251 Ca 0.01 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.84 3djc h ALA 251 Cb 0.97 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3djc h ALA 251 CO 0.08 -0.09 0.46 1.98 0.00 0.00 0.00 179.25 181.68 3djc h MET 252 N -0.03 0.67 0.00 0.00 -1.53 -1.38 -0.25 114.93 112.40 3djc h MET 252 Ca 0.04 -0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 3djc h MET 252 Cb 0.41 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 3djc h MET 252 CO 0.01 0.44 -0.17 0.52 0.14 0.00 0.00 176.91 177.85 3djc h MET 253 N 0.69 0.00 -0.15 0.39 2.86 -1.46 -3.30 114.93 113.95 3djc h MET 253 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 3djc h MET 253 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3djc h MET 253 CO -0.33 0.17 0.00 0.09 1.06 0.00 0.00 176.91 177.90 3djc n ASN 254 N -3.51 2.85 -0.07 1.22 3.02 -0.18 -4.87 115.26 113.72 3djc n ASN 254 Ca -0.01 -2.59 0.01 0.00 -0.03 0.00 0.00 54.58 51.96 3djc n ASN 254 Cb 0.33 -0.33 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3djc n ASN 254 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71