#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 2.87 -0.19 -0.08 2.07 -1.17 -1.82 121.20 122.87 3djc s ILE 2 Ca 0.00 -0.74 -0.15 0.00 -1.41 0.00 0.00 60.65 58.36 3djc s ILE 2 Cb 0.00 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.37 3djc s ILE 2 CO 0.00 0.54 0.33 -0.22 -1.91 0.00 0.00 174.94 173.68 3djc s LEU 3 N 0.18 4.18 -0.21 8.50 2.96 -0.36 -1.65 118.68 132.29 3djc s LEU 3 Ca -0.09 0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 3djc s LEU 3 Cb -0.15 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 3djc s LEU 3 CO 0.05 0.00 -0.07 0.00 -1.32 0.00 0.00 176.35 175.01 3djc s ILE 5 N 1.42 4.23 -0.23 0.00 1.01 0.35 -1.16 121.20 126.82 3djc s ILE 5 Ca 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3djc s ILE 5 Cb -0.14 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.52 3djc s ILE 5 CO -0.05 0.54 -0.10 -0.62 0.00 0.00 0.00 174.94 174.71 3djc s ASP 6 N -0.24 3.99 -0.50 3.58 2.15 0.59 -1.37 116.67 124.87 3djc s ASP 6 Ca 0.05 -0.77 -0.18 0.00 0.43 0.00 0.00 52.55 52.08 3djc s ASP 6 Cb -0.12 -1.62 0.07 0.00 -0.30 0.00 0.00 42.92 40.95 3djc s ASP 6 CO 0.02 -0.08 0.55 -0.69 -0.17 0.00 0.00 175.17 174.80 3djc s VAL 7 N 1.32 5.00 0.22 1.11 1.01 0.13 -0.55 120.40 128.64 3djc s VAL 7 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3djc s VAL 7 Cb -0.15 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.01 3djc s VAL 7 CO -0.07 -0.75 0.30 0.61 0.00 0.00 0.00 175.10 175.20 3djc n GLY 8 N 5.19 1.85 0.13 4.51 0.00 0.04 -1.33 105.19 115.57 3djc n GLY 8 Ca -0.09 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 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 0.02 0.25 0.00 1.61 2.35 -1.96 -3.37 115.58 114.48 3djc h ASN 9 Ca -0.10 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.42 3djc h ASN 9 Cb 0.46 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3djc h ASN 9 CO 0.14 1.00 -1.48 -1.54 -1.65 0.00 0.00 177.43 173.91 3djc n SER 10 N -3.66 2.74 -4.11 5.81 3.41 -1.26 -4.83 113.62 111.72 3djc n SER 10 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 3djc n SER 10 Cb 0.80 1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 66.00 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 -2.62 0.63 -0.29 7.33 3.76 -1.26 -3.53 115.29 119.31 3djc s HIS 11 Ca -0.04 -0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 53.85 3djc s HIS 11 Cb 0.06 -0.42 0.01 0.00 1.11 0.00 0.00 32.58 33.34 3djc s HIS 11 CO 0.41 -0.28 0.06 0.42 -0.85 0.00 0.00 174.74 174.50 3djc s ILE 12 N -3.55 3.80 -0.19 0.60 1.01 -0.12 -0.78 121.20 121.97 3djc s ILE 12 Ca 0.06 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 3djc s ILE 12 Cb 0.05 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3djc s ILE 12 CO -0.07 0.06 -0.01 -0.47 0.00 0.00 0.00 174.94 174.45 3djc s TYR 13 N 1.46 3.03 0.14 3.97 5.04 0.29 -0.38 117.35 130.90 3djc s TYR 13 Ca 0.02 -0.44 0.08 0.00 -2.44 0.00 0.00 57.07 54.29 3djc s TYR 13 Cb -0.17 -2.05 -0.04 0.00 0.35 0.00 0.00 41.96 40.05 3djc s TYR 13 CO 0.02 -0.20 -0.18 0.20 -1.34 0.00 0.00 175.55 174.05 3djc s GLY 14 N 0.83 1.30 -0.21 8.97 0.00 -0.73 -0.30 107.32 117.19 3djc s GLY 14 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.21 3djc s GLY 14 CO 0.02 -1.43 0.51 -0.32 0.00 0.00 0.00 173.10 171.88 3djc s GLY 15 N -2.42 -0.43 -0.09 0.20 0.00 -0.31 -1.69 107.32 102.58 3djc s GLY 15 Ca 0.12 1.81 -0.11 0.00 0.00 0.00 0.00 44.72 46.54 3djc s GLY 15 CO 0.05 1.88 0.26 0.14 0.00 0.00 0.00 173.10 175.44 3djc s VAL 16 N 1.39 5.30 -0.16 1.40 1.01 -0.13 -0.76 120.40 128.45 3djc s VAL 16 Ca -0.09 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3djc s VAL 16 Cb -0.07 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3djc s VAL 16 CO -0.14 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 174.94 3djc s PHE 17 N -0.62 2.73 -1.10 5.22 0.40 -0.66 -1.11 117.98 122.85 3djc s PHE 17 Ca 0.18 -1.40 -0.16 0.00 -0.60 0.00 0.00 56.93 54.95 3djc s PHE 17 Cb -0.14 -1.87 0.15 0.00 0.51 0.00 0.00 43.02 41.67 3djc s PHE 17 CO 0.07 -0.66 1.33 0.34 0.70 0.00 0.00 175.22 177.00 3djc s ASP 18 N 1.00 6.87 0.97 1.36 3.68 0.18 -3.05 116.67 127.68 3djc s ASP 18 Ca -0.02 -2.55 0.00 0.00 2.13 0.00 0.00 52.55 52.11 3djc s ASP 18 Cb -0.15 -2.42 0.00 0.00 -1.45 0.00 0.00 42.92 38.91 3djc s ASP 18 CO -0.06 -0.92 0.00 0.61 0.13 0.00 0.00 175.17 174.94 3djc n GLY 19 N 4.80 1.06 0.11 2.66 0.00 -1.26 -2.59 105.19 109.97 3djc n GLY 19 Ca 0.32 0.33 -0.16 0.00 0.00 0.00 0.00 46.02 46.51 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 0.31 -3.33 1.61 1.82 -2.01 -3.47 116.42 111.34 3djc h ASP 20 Ca 0.00 -0.51 -0.58 0.00 -0.39 0.00 0.00 57.03 55.54 3djc h ASP 20 Cb 0.00 -0.10 -0.09 0.00 0.68 0.00 0.00 39.33 39.82 3djc h ASP 20 CO 0.00 1.44 -0.24 -1.83 -1.61 0.00 0.00 179.24 177.01 3djc s GLU 21 N -2.60 4.28 -0.12 0.28 -1.05 -1.07 -5.04 118.70 113.38 3djc s GLU 21 Ca -0.11 0.25 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 3djc s GLU 21 Cb 0.07 -3.44 -0.04 0.00 -0.44 0.00 0.00 34.13 30.28 3djc s GLU 21 CO 0.83 0.18 1.51 0.42 0.95 0.00 0.00 175.26 179.14 3djc s ILE 22 N 0.62 3.85 -0.01 1.83 1.01 -1.26 0.48 121.20 127.72 3djc s ILE 22 Ca 0.21 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 3djc s ILE 22 Cb -0.14 -3.69 -0.27 0.00 0.01 0.00 0.00 42.46 38.37 3djc s ILE 22 CO 0.07 -0.13 0.81 0.11 0.00 0.00 0.00 174.94 175.80 3djc h LYS 23 N 9.25 0.22 -2.04 2.79 1.79 -1.48 -3.47 116.57 123.63 3djc h LYS 23 Ca -0.34 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 57.74 3djc h LYS 23 Cb 1.15 0.14 -0.21 0.00 -1.58 0.00 0.00 32.23 31.73 3djc h LYS 23 CO 0.97 1.07 0.05 -1.17 -1.08 0.00 0.00 179.45 179.28 3djc s LEU 24 N -6.90 -0.81 0.17 2.94 2.96 -1.23 -5.03 118.68 110.77 3djc s LEU 24 Ca -0.10 1.45 0.10 0.00 -0.22 0.00 0.00 54.13 55.37 3djc s LEU 24 Cb 0.07 2.36 -0.04 0.00 0.50 0.00 0.00 46.19 49.08 3djc s LEU 24 CO 0.84 -0.24 -0.22 0.00 -1.32 0.00 0.00 176.35 175.42 3djc s ARG 25 N 1.11 1.36 0.33 1.98 1.70 -1.26 -0.96 118.95 123.22 3djc s ARG 25 Ca -0.06 -1.42 -0.04 0.00 -0.47 0.00 0.00 55.73 53.74 3djc s ARG 25 Cb -0.05 -1.59 0.00 0.00 -0.57 0.00 0.00 34.95 32.74 3djc s ARG 25 CO -0.11 0.34 0.47 -0.59 -1.08 0.00 0.00 175.30 174.34 3djc s PHE 26 N -1.71 0.98 -0.17 5.89 -0.71 -0.68 -5.00 117.98 116.58 3djc s PHE 26 Ca 0.16 -1.24 -0.10 0.00 -1.04 0.00 0.00 56.93 54.72 3djc s PHE 26 Cb -0.07 -0.05 0.05 0.00 -1.21 0.00 0.00 43.02 41.74 3djc s PHE 26 CO 0.08 -1.12 0.41 0.50 -1.34 0.00 0.00 175.22 173.74 3djc s ARG 27 N -3.14 0.41 0.35 1.99 3.52 -1.26 -1.77 118.95 119.05 3djc s ARG 27 Ca 0.30 0.75 0.09 0.00 -0.13 0.00 0.00 55.73 56.73 3djc s ARG 27 Cb -0.00 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.36 3djc s ARG 27 CO 0.19 -0.14 -0.03 -1.58 -0.81 0.00 0.00 175.30 172.93 3djc s HIS 28 N 1.15 2.48 0.15 5.12 5.65 0.49 -4.97 115.29 125.35 3djc s HIS 28 Ca -0.08 -0.49 -0.30 0.00 0.25 0.00 0.00 55.06 54.45 3djc s HIS 28 Cb -0.07 -1.48 -0.07 0.00 -1.18 0.00 0.00 32.58 29.78 3djc s HIS 28 CO -0.10 0.51 1.00 0.99 -0.65 0.00 0.00 174.74 176.49 3djc s THR 29 N -2.58 4.26 -0.91 0.89 2.01 -1.26 -0.95 115.64 117.11 3djc s THR 29 Ca 0.34 1.95 -0.23 0.00 0.31 0.00 0.00 61.69 64.06 3djc s THR 29 Cb 0.02 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.35 3djc s THR 29 CO 0.18 0.33 1.30 -0.55 -0.69 0.00 0.00 174.62 175.19 3djc s SER 30 N -0.19 6.42 0.05 3.53 0.15 -1.23 -4.59 113.70 117.84 3djc s SER 30 Ca 0.47 -1.32 0.01 0.00 0.70 0.00 0.00 55.95 55.81 3djc s SER 30 Cb -0.25 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3djc s SER 30 CO 0.32 -1.48 0.03 2.29 1.20 0.00 0.00 173.24 175.60 3djc n LYS 31 N 8.40 0.45 -2.97 5.44 2.85 -1.26 -4.85 118.16 126.22 3djc n LYS 31 Ca 0.21 -0.49 -0.44 0.00 -1.05 0.00 0.00 58.31 56.55 3djc n LYS 31 Cb 0.50 0.33 -0.03 0.00 -0.65 0.00 0.00 35.03 35.18 3djc n LYS 31 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3djc s VAL 32 N -1.99 4.67 0.63 0.58 -7.23 -1.26 -4.77 120.40 111.04 3djc s VAL 32 Ca 0.04 -1.10 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 3djc s VAL 32 Cb 0.00 -4.66 0.11 0.00 0.56 0.00 0.00 36.38 32.39 3djc s VAL 32 CO 0.03 -1.37 0.87 -0.44 -0.31 0.00 0.00 175.10 173.88 3djc s SER 33 N 3.56 4.82 0.43 4.85 0.01 -1.26 -5.15 113.70 120.97 3djc s SER 33 Ca 0.23 -0.75 0.05 0.00 1.31 0.00 0.00 55.95 56.79 3djc s SER 33 Cb -0.14 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.43 3djc s SER 33 CO 0.01 -1.55 0.40 0.35 0.41 0.00 0.00 173.24 172.86 3djc n THR 34 N -2.45 0.00 0.20 1.44 -2.24 -1.26 -4.93 114.28 105.04 3djc n THR 34 Ca 0.16 -1.64 0.06 0.00 -2.27 0.00 0.00 64.05 60.36 3djc n THR 34 Cb 0.61 -0.27 0.42 0.00 -2.10 0.00 0.00 70.33 69.00 3djc n THR 34 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3djc h SER 35 N 0.39 0.00 0.22 3.42 0.02 -1.95 -2.56 113.55 113.09 3djc h SER 35 Ca -0.25 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.35 3djc h SER 35 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 3djc h SER 35 CO 0.39 0.33 -1.80 0.44 -1.14 0.00 0.00 176.83 175.05 3djc h ASP 36 N 0.00 0.51 -0.33 3.07 3.32 -1.95 -2.72 116.42 118.32 3djc h ASP 36 Ca -0.00 -0.86 -0.02 0.00 0.02 0.00 0.00 57.03 56.17 3djc h ASP 36 Cb 0.69 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3djc h ASP 36 CO 0.04 1.74 0.13 -0.33 -1.72 0.00 0.00 179.24 179.10 3djc h GLU 37 N 0.09 0.50 -0.38 3.56 5.08 -1.95 -0.28 114.58 121.19 3djc h GLU 37 Ca -0.35 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 3djc h GLU 37 Cb 2.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 3djc h GLU 37 CO 0.15 0.50 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.36 3djc h LEU 38 N 0.39 0.77 -0.40 1.33 3.38 -1.61 -1.97 115.31 117.20 3djc h LEU 38 Ca 0.11 -0.28 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 3djc h LEU 38 Cb 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3djc h LEU 38 CO -0.01 0.97 -0.63 1.23 0.09 0.00 0.00 178.44 180.09 3djc h GLY 39 N 0.97 0.67 0.80 0.83 0.00 -1.36 0.98 103.07 105.95 3djc h GLY 39 Ca 0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 3djc h GLY 39 CO 0.06 0.76 -0.08 -2.22 0.00 0.00 0.00 176.54 175.06 3djc h ILE 40 N 0.45 0.94 -0.05 2.60 1.08 -1.03 -2.43 117.51 119.06 3djc h ILE 40 Ca -0.01 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3djc h ILE 40 Cb 1.20 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 3djc h ILE 40 CO 0.12 0.10 -0.18 0.15 -0.69 0.00 0.00 178.15 177.65 3djc h PHE 41 N -0.42 -0.48 -0.91 1.37 3.57 -1.30 -1.17 116.94 117.60 3djc h PHE 41 Ca -0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3djc h PHE 41 Cb 0.33 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 3djc h PHE 41 CO -0.00 -0.26 0.58 -0.07 -2.23 0.00 0.00 178.31 176.32 3djc h LEU 42 N -0.27 0.91 -0.58 0.59 3.38 -0.82 0.38 115.31 118.91 3djc h LEU 42 Ca 0.07 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3djc h LEU 42 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3djc h LEU 42 CO -0.21 0.58 -0.67 0.11 0.09 0.00 0.00 178.44 178.34 3djc h LYS 43 N 1.05 0.18 0.07 1.13 1.57 -1.29 -3.21 116.57 116.06 3djc h LYS 43 Ca 0.40 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.79 3djc h LYS 43 Cb 0.17 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3djc h LYS 43 CO -0.17 0.79 -1.17 0.77 -0.57 0.00 0.00 179.45 179.09 3djc h SER 44 N 0.13 0.22 0.55 0.86 0.02 -0.23 -3.11 113.55 111.99 3djc h SER 44 Ca -0.01 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 3djc h SER 44 Cb 1.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3djc h SER 44 CO 0.10 1.20 -0.24 1.62 -1.14 0.00 0.00 176.83 178.36 3djc h VAL 45 N 0.04 0.78 0.02 2.27 3.04 -0.35 -2.88 116.25 119.18 3djc h VAL 45 Ca -0.09 -0.99 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 3djc h VAL 45 Cb 1.89 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.77 3djc h VAL 45 CO 0.17 0.24 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.88 3djc h LEU 46 N 0.00 -0.03 -0.68 3.16 3.38 -1.59 -3.33 115.31 116.22 3djc h LEU 46 Ca -0.00 -0.52 -0.14 0.00 0.09 0.00 0.00 57.88 57.31 3djc h LEU 46 Cb 0.59 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3djc h LEU 46 CO 0.03 0.72 -0.62 0.08 0.09 0.00 0.00 178.44 178.74 3djc h ARG 47 N -0.98 0.15 0.00 1.13 0.11 -1.39 -1.85 114.38 111.54 3djc h ARG 47 Ca -0.00 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.97 3djc h ARG 47 Cb 0.54 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3djc h ARG 47 CO 0.01 0.72 0.00 0.39 0.10 0.00 0.00 179.97 181.19 3djc n GLU 48 N -3.84 0.18 -1.32 0.08 -0.58 -1.09 -1.85 120.64 112.22 3djc n GLU 48 Ca -0.02 0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 56.74 3djc n GLU 48 Cb 0.62 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.11 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 -1.35 3.79 -3.29 1.62 3.02 -0.76 -4.98 115.26 113.32 3djc n ASN 49 Ca 0.07 -3.81 -0.24 0.00 -0.03 0.00 0.00 54.58 50.58 3djc n ASN 49 Cb 0.15 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.93 -5.86 -3.72 6.41 4.13 -0.77 -4.98 115.26 109.54 3djc n ASN 50 Ca 0.37 -0.41 -0.28 0.00 1.68 0.00 0.00 54.58 55.94 3djc n ASN 50 Cb 0.89 -4.70 -0.16 0.00 -1.54 0.00 0.00 39.78 34.27 3djc n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djc s SER 52 N 1.85 6.62 0.64 0.00 0.15 -1.26 -2.33 113.70 119.36 3djc s SER 52 Ca 0.01 2.34 0.29 0.00 0.70 0.00 0.00 55.95 59.30 3djc s SER 52 Cb -0.17 -2.54 1.56 0.00 -1.71 0.00 0.00 66.02 63.17 3djc s SER 52 CO -0.12 -0.94 1.91 -0.65 1.20 0.00 0.00 173.24 174.64 3djc h PRO 53 N 9.55 0.00 -0.00 5.44 0.11 -1.90 -0.98 132.00 144.22 3djc h PRO 53 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.95 0.00 -0.13 0.39 -0.21 0.00 0.00 178.00 179.00 3djc n GLU 54 N -3.20 0.04 0.11 1.05 4.71 -1.26 -3.28 120.64 118.81 3djc n GLU 54 Ca 0.02 -0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 3djc n GLU 54 Cb 0.48 -1.50 0.35 0.00 -1.01 0.00 0.00 31.44 29.76 3djc n GLU 54 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3djc h THR 55 N 0.02 0.00 -2.91 2.62 2.02 -1.56 -3.44 112.91 109.67 3djc h THR 55 Ca 0.00 -0.53 -0.57 0.00 0.77 0.00 0.00 66.41 66.09 3djc h THR 55 Cb 0.49 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 3djc h THR 55 CO 0.00 0.00 1.04 -0.63 0.37 0.00 0.00 175.52 176.30 3djc s ILE 56 N -3.12 3.92 -0.17 3.11 -1.09 -1.21 -4.42 121.20 118.22 3djc s ILE 56 Ca 0.10 1.05 0.07 0.00 -2.23 0.00 0.00 60.65 59.63 3djc s ILE 56 Cb 0.12 -3.88 -0.15 0.00 -1.58 0.00 0.00 42.46 36.96 3djc s ILE 56 CO 0.62 -0.32 -0.07 -1.14 -1.23 0.00 0.00 174.94 172.80 3djc n ARG 57 N 7.37 0.99 -4.37 2.79 3.00 -0.76 -5.01 116.66 120.67 3djc n ARG 57 Ca 0.17 0.06 -0.26 0.00 -0.00 0.00 0.00 57.85 57.82 3djc n ARG 57 Cb 0.45 -1.38 -0.12 0.00 0.00 0.00 0.00 32.46 31.42 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 -2.37 1.35 -0.01 -0.14 1.02 -0.99 -4.98 119.74 113.63 3djc s LYS 58 Ca -0.17 -1.38 0.02 0.00 0.02 0.00 0.00 55.97 54.45 3djc s LYS 58 Cb 0.06 -1.65 -0.00 0.00 -0.52 0.00 0.00 37.83 35.71 3djc s LYS 58 CO 0.51 0.37 -0.05 0.42 -0.92 0.00 0.00 175.35 175.68 3djc s ILE 59 N -1.51 0.40 -0.04 2.17 1.01 -1.26 -1.22 121.20 120.75 3djc s ILE 59 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3djc s ILE 59 Cb -0.08 -0.35 0.03 0.00 0.01 0.00 0.00 42.46 42.06 3djc s ILE 59 CO 0.07 0.12 0.00 0.00 0.00 0.00 0.00 174.94 175.14 3djc s ALA 60 N -0.03 0.37 -0.12 9.38 0.00 0.31 -0.80 121.76 130.87 3djc s ALA 60 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3djc s ALA 60 Cb -0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3djc s ALA 60 CO -0.00 -0.15 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 3djc s ILE 61 N 1.23 2.40 -0.13 0.00 1.01 0.20 -0.50 121.20 125.41 3djc s ILE 61 Ca -0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3djc s ILE 61 Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3djc s ILE 61 CO -0.02 0.54 -0.07 0.00 0.00 0.00 0.00 174.94 175.40 3djc s SER 63 N 0.12 0.67 0.00 0.00 0.15 -1.26 -0.69 113.70 112.68 3djc s SER 63 Ca -0.02 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3djc s SER 63 Cb -0.14 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 3djc s SER 63 CO 0.03 -0.09 0.00 0.52 1.20 0.00 0.00 173.24 174.90 3djc n VAL 64 N 2.16 0.00 -3.65 4.45 0.31 -0.44 -4.38 118.33 116.78 3djc n VAL 64 Ca -0.18 -0.04 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 3djc n VAL 64 Cb 0.56 0.52 -0.11 0.00 -0.91 0.00 0.00 33.84 33.91 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3djc s VAL 65 N -1.85 4.07 0.52 2.52 1.01 -1.25 -4.98 120.40 120.43 3djc s VAL 65 Ca 0.00 -1.38 0.22 0.00 0.00 0.00 0.00 61.98 60.82 3djc s VAL 65 Cb 0.00 -3.47 0.29 0.00 0.00 0.00 0.00 36.38 33.20 3djc s VAL 65 CO 0.00 -0.45 2.15 -0.65 0.00 0.00 0.00 175.10 176.15 3djc h PRO 66 N 8.34 0.00 -0.03 2.72 0.11 -1.97 -3.00 132.00 138.17 3djc h PRO 66 Ca -0.22 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 3djc h PRO 66 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3djc h PRO 66 CO 0.72 0.05 -0.29 1.96 -0.21 0.00 0.00 178.00 180.23 3djc h GLN 67 N 0.00 0.05 -0.53 1.05 4.20 -1.99 -2.57 115.11 115.31 3djc h GLN 67 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3djc h GLN 67 Cb 0.11 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3djc h GLN 67 CO 0.01 0.34 0.00 0.28 -0.67 0.00 0.00 178.83 178.78 3djc n VAL 68 N -4.18 0.81 -0.06 -0.54 0.31 -1.13 -4.52 118.33 109.02 3djc n VAL 68 Ca -0.02 -0.71 -0.21 0.00 -0.01 0.00 0.00 64.34 63.39 3djc n VAL 68 Cb 0.35 0.28 -0.13 0.00 -0.91 0.00 0.00 33.84 33.43 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 2.98 0.16 -0.55 4.52 5.19 -1.56 -3.20 116.42 123.96 3djc h ASP 69 Ca 0.00 -0.70 -0.04 0.00 -0.62 0.00 0.00 57.03 55.67 3djc h ASP 69 Cb 0.77 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 3djc h ASP 69 CO 0.03 1.53 0.19 0.22 -3.12 0.00 0.00 179.24 178.10 3djc h TYR 70 N -0.67 0.87 -0.00 4.55 3.20 -1.79 -2.47 116.97 120.66 3djc h TYR 70 Ca -0.32 -0.08 -0.16 0.00 3.14 0.00 0.00 58.73 61.31 3djc h TYR 70 Cb 1.50 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 3djc h TYR 70 CO 0.12 0.73 -0.77 0.66 -1.64 0.00 0.00 178.16 177.26 3djc h SER 71 N 0.76 0.06 -0.05 -2.11 4.64 -1.84 -1.97 113.55 113.04 3djc h SER 71 Ca 0.18 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3djc h SER 71 Cb 0.25 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3djc h SER 71 CO -0.01 0.80 -0.06 0.25 -0.87 0.00 0.00 176.83 176.95 3djc h LEU 72 N 0.03 0.14 -1.17 5.97 5.85 -1.53 -0.99 115.31 123.60 3djc h LEU 72 Ca -0.01 -0.50 0.13 0.00 0.84 0.00 0.00 57.88 58.34 3djc h LEU 72 Cb 1.35 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 3djc h LEU 72 CO 0.10 0.62 0.60 0.03 -0.34 0.00 0.00 178.44 179.44 3djc h ARG 73 N -0.33 0.79 -0.01 1.25 3.08 -1.51 -2.28 114.38 115.37 3djc h ARG 73 Ca 0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3djc h ARG 73 Cb 0.58 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3djc h ARG 73 CO 0.01 0.52 -0.67 1.03 -1.07 0.00 0.00 179.97 179.80 3djc h SER 74 N 0.82 0.07 0.26 7.04 0.87 -1.26 -2.93 113.55 118.42 3djc h SER 74 Ca 0.47 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.87 3djc h SER 74 Cb 0.62 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3djc h SER 74 CO -0.23 0.71 -0.44 0.00 -0.53 0.00 0.00 176.83 176.35 3djc h ALA 75 N 1.29 1.08 -0.06 6.23 0.00 -0.63 -2.93 119.26 124.23 3djc h ALA 75 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3djc h ALA 75 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3djc h ALA 75 CO 0.09 0.61 -0.32 0.00 0.00 0.00 0.00 179.25 179.62 3djc h VAL 77 N -0.19 1.24 0.22 0.00 -1.51 -1.35 0.13 116.25 114.80 3djc h VAL 77 Ca -0.02 -1.11 -0.30 0.00 -1.23 0.00 0.00 66.70 64.03 3djc h VAL 77 Cb 0.99 1.29 0.03 0.00 -2.13 0.00 0.00 31.29 31.46 3djc h VAL 77 CO 0.07 0.35 -1.36 0.50 -1.23 0.00 0.00 177.57 175.90 3djc h LYS 78 N 0.37 0.47 0.00 5.19 3.64 -1.56 -3.08 116.57 121.60 3djc h LYS 78 Ca 0.06 -0.80 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 3djc h LYS 78 Cb 0.56 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3djc h LYS 78 CO 0.04 1.38 -1.75 0.66 -2.27 0.00 0.00 179.45 177.51 3djc n TYR 79 N -3.81 0.00 -0.24 1.91 4.01 -0.46 -4.53 117.16 114.04 3djc n TYR 79 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3djc n TYR 79 Cb 1.03 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 -2.08 0.00 -3.43 -0.72 3.01 -0.09 -5.02 117.46 109.12 3djc n PHE 80 Ca -0.03 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.18 3djc n PHE 80 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 -0.20 -4.15 -4.08 4.37 7.64 -0.44 -4.94 113.62 111.82 3djc n SER 81 Ca 0.00 -0.46 -0.30 0.00 1.01 0.00 0.00 58.87 59.12 3djc n SER 81 Cb 0.06 -3.40 -0.17 0.00 -1.01 0.00 0.00 64.21 59.70 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 -3.03 1.67 -0.64 0.44 1.01 -0.88 -4.91 121.20 114.87 3djc s ILE 82 Ca 0.44 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 3djc s ILE 82 Cb -0.23 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.77 3djc s ILE 82 CO 0.54 0.48 1.09 -0.62 0.00 0.00 0.00 174.94 176.43 3djc s ASP 83 N 1.05 6.26 0.66 3.58 3.68 -1.26 -2.48 116.67 128.17 3djc s ASP 83 Ca -0.04 -0.46 -0.15 0.00 2.13 0.00 0.00 52.55 54.03 3djc s ASP 83 Cb -0.15 -2.49 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 3djc s ASP 83 CO -0.04 -1.50 1.11 -2.16 0.13 0.00 0.00 175.17 172.70 3djc s PRO 84 N 4.67 2.80 0.01 4.34 0.04 -1.26 -4.90 135.00 140.69 3djc s PRO 84 Ca 0.32 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 3djc s PRO 84 Cb -0.11 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3djc s PRO 84 CO 0.17 -1.25 1.24 0.12 0.04 0.00 0.00 177.00 177.31 3djc s PHE 85 N -2.37 3.25 -0.23 0.56 5.36 0.01 -4.91 117.98 119.65 3djc s PHE 85 Ca 0.66 1.18 -0.07 0.00 -0.96 0.00 0.00 56.93 57.75 3djc s PHE 85 Cb -0.20 -3.47 -0.03 0.00 -0.34 0.00 0.00 43.02 38.98 3djc s PHE 85 CO 0.42 -1.50 0.06 -0.51 -1.46 0.00 0.00 175.22 172.22 3djc s LEU 86 N 1.67 3.47 -0.56 6.12 2.01 -1.26 0.60 118.68 130.73 3djc s LEU 86 Ca 0.59 -0.16 -0.26 0.00 0.01 0.00 0.00 54.13 54.31 3djc s LEU 86 Cb -0.28 -1.92 0.04 0.00 0.01 0.00 0.00 46.19 44.04 3djc s LEU 86 CO 0.26 0.01 1.04 -0.22 1.01 0.00 0.00 176.35 178.46 3djc s LEU 87 N 1.34 3.84 0.22 1.79 2.96 -0.23 -4.92 118.68 123.67 3djc s LEU 87 Ca 0.05 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 3djc s LEU 87 Cb -0.15 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 3djc s LEU 87 CO 0.03 -1.33 0.31 -1.58 -1.32 0.00 0.00 176.35 172.46 3djc s GLN 88 N 4.36 1.35 -0.14 1.98 0.74 -1.26 -4.56 119.66 122.12 3djc s GLN 88 Ca 0.35 -1.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.07 3djc s GLN 88 Cb -0.10 0.38 -0.07 0.00 1.10 0.00 0.00 33.01 34.31 3djc s GLN 88 CO 0.22 -0.51 2.12 0.00 -0.55 0.00 0.00 175.29 176.57 3djc n ALA 89 N -0.31 1.59 0.00 1.58 0.00 -1.26 -2.99 120.51 119.12 3djc n ALA 89 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3djc n ALA 89 Cb 0.64 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 5.37 1.04 3.93 0.00 0.00 -1.26 -5.10 105.19 109.16 3djc n GLY 90 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 5.05 -0.05 1.61 -7.23 -1.16 -5.03 120.40 111.59 3djc s VAL 91 Ca 0.00 -0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.59 3djc s VAL 91 Cb 0.00 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 33.02 3djc s VAL 91 CO 0.00 -0.63 1.72 -0.75 -0.31 0.00 0.00 175.10 175.12 3djc s LYS 92 N -4.42 4.14 -0.10 4.82 2.20 -1.26 -4.86 119.74 120.26 3djc s LYS 92 Ca 0.42 2.24 0.04 0.00 -0.36 0.00 0.00 55.97 58.31 3djc s LYS 92 Cb -0.10 -4.02 -0.09 0.00 -1.51 0.00 0.00 37.83 32.11 3djc s LYS 92 CO 0.38 -0.90 -0.03 0.25 -0.36 0.00 0.00 175.35 174.69 3djc n THR 93 N 5.56 0.61 -1.00 3.43 -2.24 -1.26 -4.79 114.28 114.59 3djc n THR 93 Ca 0.18 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3djc n THR 93 Cb 0.43 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 2.71 0.45 3.51 3.38 0.00 -1.26 -4.88 105.19 109.10 3djc n GLY 94 Ca -0.17 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.03 2.75 -0.38 0.99 1.43 -1.26 -4.91 118.68 117.27 3djc s LEU 95 Ca 0.00 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3djc s LEU 95 Cb 0.00 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.78 3djc s LEU 95 CO 0.00 0.13 0.19 0.20 0.23 0.00 0.00 176.35 177.10 3djc s ASN 96 N -2.61 5.61 -0.04 2.29 0.01 0.07 -4.99 114.94 115.28 3djc s ASN 96 Ca 0.22 -1.15 -0.29 0.00 -0.71 0.00 0.00 52.86 50.93 3djc s ASN 96 Cb -0.09 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 3djc s ASN 96 CO 0.12 -0.41 0.94 -0.63 -1.51 0.00 0.00 177.10 175.62 3djc s ILE 97 N 1.48 4.88 -0.71 0.60 1.01 -1.26 -1.26 121.20 125.94 3djc s ILE 97 Ca 0.01 1.96 0.16 0.00 0.00 0.00 0.00 60.65 62.78 3djc s ILE 97 Cb -0.20 -4.27 0.74 0.00 0.01 0.00 0.00 42.46 38.74 3djc s ILE 97 CO 0.05 0.14 1.66 0.29 0.00 0.00 0.00 174.94 177.08 3djc n LYS 98 N 4.14 4.14 -2.30 2.79 4.76 0.15 -4.95 118.16 126.90 3djc n LYS 98 Ca 0.05 -2.99 -0.33 0.00 -2.87 0.00 0.00 58.31 52.18 3djc n LYS 98 Cb 0.51 -2.03 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 3djc n LYS 98 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3djc s TYR 99 N -2.26 3.02 0.13 2.13 1.51 -1.26 -4.87 117.35 115.75 3djc s TYR 99 Ca 0.52 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 58.00 3djc s TYR 99 Cb 0.36 -3.02 -0.06 0.00 -0.11 0.00 0.00 41.96 39.13 3djc s TYR 99 CO 0.20 -0.94 1.45 0.00 -1.11 0.00 0.00 175.55 175.16 3djc h ARG 100 N 0.98 0.91 -4.14 -0.62 3.08 -1.99 -3.33 114.38 109.27 3djc h ARG 100 Ca -0.48 -0.50 -0.65 0.00 0.07 0.00 0.00 59.98 58.41 3djc h ARG 100 Cb 1.22 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.90 3djc h ARG 100 CO 0.58 1.15 -0.67 1.21 -1.07 0.00 0.00 179.97 181.18 3djc s ASN 101 N -6.84 4.63 0.00 7.04 2.47 -1.26 -5.00 114.94 115.98 3djc s ASN 101 Ca -0.11 -2.51 0.00 0.00 0.42 0.00 0.00 52.86 50.66 3djc s ASN 101 Cb 0.11 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 38.26 3djc s ASN 101 CO 0.88 -0.33 0.59 -2.65 -3.72 0.00 0.00 177.10 171.88 3djc n PRO 102 N 3.80 0.00 0.03 0.43 -0.02 -1.25 -0.94 135.00 137.04 3djc n PRO 102 Ca 0.04 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 3djc n PRO 102 Cb 0.38 -1.51 0.15 0.00 -0.02 0.00 0.00 33.50 32.51 3djc n PRO 102 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3djc n VAL 103 N -1.09 0.15 0.27 -1.45 0.31 -1.26 -3.83 118.33 111.43 3djc n VAL 103 Ca 0.00 -0.15 0.14 0.00 -0.01 0.00 0.00 64.34 64.32 3djc n VAL 103 Cb 0.01 0.15 0.39 0.00 -0.91 0.00 0.00 33.84 33.48 3djc n VAL 103 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3djc h GLU 104 N 0.00 0.00 -6.27 5.55 5.08 -1.48 -3.42 114.58 114.04 3djc h GLU 104 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3djc h GLU 104 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3djc h GLU 104 CO 0.00 0.00 0.82 0.08 -1.00 0.00 0.00 179.01 178.91 3djc s VAL 105 N -3.39 4.10 0.65 3.13 1.01 -1.25 -5.02 120.40 119.64 3djc s VAL 105 Ca 0.05 1.41 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 3djc s VAL 105 Cb 0.07 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3djc s VAL 105 CO 0.61 -0.05 1.17 -0.83 0.00 0.00 0.00 175.10 176.00 3djc s GLY 106 N 1.84 2.44 0.46 4.51 0.00 -1.26 -4.94 107.32 110.37 3djc s GLY 106 Ca 0.58 0.82 0.15 0.00 0.00 0.00 0.00 44.72 46.27 3djc s GLY 106 CO 0.21 1.20 2.01 0.00 0.00 0.00 0.00 173.10 176.52 3djc h ALA 107 N 0.32 2.06 -0.27 3.20 0.00 -1.88 -2.58 119.26 120.11 3djc h ALA 107 Ca -0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3djc h ALA 107 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3djc h ALA 107 CO 0.53 -0.17 -0.39 0.38 0.00 0.00 0.00 179.25 179.61 3djc h ASP 108 N 0.31 0.68 0.58 0.00 2.03 -1.92 -0.61 116.42 117.49 3djc h ASP 108 Ca 0.23 -0.30 -0.05 0.00 -0.73 0.00 0.00 57.03 56.18 3djc h ASP 108 Cb 0.49 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.80 3djc h ASP 108 CO -0.05 0.99 -0.23 0.03 -1.03 0.00 0.00 179.24 178.94 3djc h ARG 109 N 0.53 0.00 0.21 4.15 2.47 -1.85 -2.43 114.38 117.45 3djc h ARG 109 Ca 0.05 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.45 3djc h ARG 109 Cb 0.90 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.24 3djc h ARG 109 CO 0.08 0.23 -1.46 0.82 0.56 0.00 0.00 179.97 180.20 3djc h ILE 110 N 0.00 1.18 -0.79 2.04 2.04 -1.26 -3.05 117.51 117.67 3djc h ILE 110 Ca -0.00 -2.59 0.03 0.00 1.00 0.00 0.00 64.86 63.30 3djc h ILE 110 Cb 0.59 2.95 -0.05 0.00 -0.74 0.00 0.00 36.82 39.57 3djc h ILE 110 CO 0.03 0.80 0.50 0.00 0.00 0.00 0.00 178.15 179.48 3djc h ALA 111 N 0.11 1.04 0.00 1.87 0.00 -1.01 -1.05 119.26 120.21 3djc h ALA 111 Ca -0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3djc h ALA 111 Cb 2.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3djc h ALA 111 CO 0.21 0.32 -0.36 -0.91 0.00 0.00 0.00 179.25 178.50 3djc h ASN 112 N 0.98 0.00 0.63 0.00 2.35 -1.55 -2.14 115.58 115.85 3djc h ASN 112 Ca 0.32 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.79 3djc h ASN 112 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3djc h ASN 112 CO -0.11 0.36 -1.27 0.00 -1.65 0.00 0.00 177.43 174.75 3djc h ALA 113 N 1.64 0.14 -0.01 -0.83 0.00 -1.32 -2.50 119.26 116.38 3djc h ALA 113 Ca -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 3djc h ALA 113 Cb 0.87 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3djc h ALA 113 CO 0.05 1.02 0.00 0.82 0.00 0.00 0.00 179.25 181.14 3djc h ILE 114 N 0.07 1.22 -0.64 0.00 2.04 -1.20 -2.75 117.51 116.25 3djc h ILE 114 Ca -0.14 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 3djc h ILE 114 Cb 1.97 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 39.66 3djc h ILE 114 CO 0.19 0.17 0.21 0.00 0.00 0.00 0.00 178.15 178.72 3djc h ALA 115 N 0.73 1.17 -0.23 1.87 0.00 -1.49 -2.01 119.26 119.30 3djc h ALA 115 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3djc h ALA 115 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3djc h ALA 115 CO 0.00 0.58 -0.56 0.00 0.00 0.00 0.00 179.25 179.27 3djc h ALA 116 N 1.29 0.38 0.00 0.00 0.00 -1.50 -2.13 119.26 117.29 3djc h ALA 116 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3djc h ALA 116 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3djc h ALA 116 CO -0.01 0.60 0.00 0.25 0.00 0.00 0.00 179.25 180.09 3djc n THR 117 N -4.06 0.59 0.02 0.00 -2.24 -1.04 -1.18 114.28 106.38 3djc n THR 117 Ca -0.06 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 3djc n THR 117 Cb 0.63 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 68.03 3djc n THR 117 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3djc h HIS 118 N 0.00 0.55 0.05 4.78 6.17 -1.26 -3.25 115.15 122.19 3djc h HIS 118 Ca 0.00 -0.35 -0.23 0.00 0.71 0.00 0.00 60.37 60.50 3djc h HIS 118 Cb 0.63 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.50 3djc h HIS 118 CO 0.00 1.22 -1.08 0.77 0.71 0.00 0.00 177.93 179.54 3djc h SER 119 N -0.27 0.20 -2.27 3.26 0.02 -1.27 -3.39 113.55 109.84 3djc h SER 119 Ca -0.10 -0.21 -0.58 0.00 -0.84 0.00 0.00 61.79 60.05 3djc h SER 119 Cb 1.46 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.54 3djc h SER 119 CO 0.13 1.14 -0.98 0.49 -1.14 0.00 0.00 176.83 176.47 3djc n PHE 120 N -3.46 -0.21 0.32 3.45 3.72 -0.32 -5.08 117.46 115.88 3djc n PHE 120 Ca -0.04 -3.51 -0.17 0.00 -0.05 0.00 0.00 57.45 53.68 3djc n PHE 120 Cb 0.96 -0.06 -0.09 0.00 -0.94 0.00 0.00 39.48 39.35 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 4.95 -0.75 -1.00 -1.08 0.11 -1.76 -3.32 132.00 129.15 3djc h PRO 121 Ca 0.19 0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.70 3djc h PRO 121 Cb 0.88 0.17 -0.29 0.00 0.11 0.00 0.00 31.00 31.86 3djc h PRO 121 CO 0.45 -0.49 0.83 0.09 -0.21 0.00 0.00 178.00 178.68 3djc n ASN 122 N -5.41 6.91 -4.24 -2.05 3.02 -1.26 -4.88 115.26 107.35 3djc n ASN 122 Ca -0.13 -3.75 -0.22 0.00 -0.03 0.00 0.00 54.58 50.45 3djc n ASN 122 Cb 0.33 -0.95 -0.12 0.00 -0.61 0.00 0.00 39.78 38.42 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3djc s GLN 123 N -3.72 1.01 0.15 3.52 -0.21 -1.25 -4.80 119.66 114.37 3djc s GLN 123 Ca 0.63 -1.08 -0.31 0.00 0.02 0.00 0.00 55.36 54.63 3djc s GLN 123 Cb 0.50 -1.18 -0.08 0.00 1.00 0.00 0.00 33.01 33.25 3djc s GLN 123 CO 0.01 0.27 1.32 -0.80 -2.12 0.00 0.00 175.29 173.97 3djc s ASN 124 N -1.82 6.91 -0.06 5.90 0.01 -1.26 -3.17 114.94 121.44 3djc s ASN 124 Ca 0.03 2.32 0.01 0.00 -0.71 0.00 0.00 52.86 54.51 3djc s ASN 124 Cb -0.10 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3djc s ASN 124 CO 0.03 -0.55 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.39 3djc s ILE 125 N 0.56 0.70 -0.32 0.60 1.01 0.97 -1.06 121.20 123.67 3djc s ILE 125 Ca 0.59 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 3djc s ILE 125 Cb -0.35 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3djc s ILE 125 CO 0.34 0.28 0.18 -0.63 0.00 0.00 0.00 174.94 175.11 3djc s ILE 126 N 1.15 4.91 -0.23 2.92 1.01 -0.56 -0.21 121.20 130.19 3djc s ILE 126 Ca -0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 3djc s ILE 126 Cb -0.14 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3djc s ILE 126 CO -0.01 0.07 0.13 0.54 0.00 0.00 0.00 174.94 175.67 3djc s VAL 127 N 1.67 5.10 -0.22 2.92 0.11 -0.61 -1.09 120.40 128.28 3djc s VAL 127 Ca 0.05 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.13 3djc s VAL 127 Cb -0.17 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.29 3djc s VAL 127 CO 0.08 0.36 0.03 -0.63 -3.33 0.00 0.00 175.10 171.62 3djc s ILE 128 N 1.03 4.16 -0.40 7.04 1.01 0.21 -1.36 121.20 132.89 3djc s ILE 128 Ca 0.06 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 3djc s ILE 128 Cb -0.14 -2.91 0.08 0.00 0.01 0.00 0.00 42.46 39.50 3djc s ILE 128 CO 0.04 0.40 0.21 -0.62 0.00 0.00 0.00 174.94 174.97 3djc s ASP 129 N 1.17 5.49 -1.34 3.58 3.68 -0.63 -0.85 116.67 127.76 3djc s ASP 129 Ca 0.04 -1.51 -0.11 0.00 2.13 0.00 0.00 52.55 53.09 3djc s ASP 129 Cb -0.14 -1.93 0.12 0.00 -1.45 0.00 0.00 42.92 39.51 3djc s ASP 129 CO 0.02 -0.49 1.99 0.49 0.13 0.00 0.00 175.17 177.32 3djc n PHE 130 N 4.84 3.23 0.00 -5.34 3.01 -0.36 -2.38 117.46 120.46 3djc n PHE 130 Ca -0.09 -2.87 0.00 0.00 1.01 0.00 0.00 57.45 55.49 3djc n PHE 130 Cb 0.43 -2.19 0.00 0.00 -0.01 0.00 0.00 39.48 37.71 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 3.35 2.90 0.35 1.37 0.00 -1.26 -2.48 105.19 109.42 3djc n GLY 131 Ca 0.44 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 1.25 -4.17 2.61 2.02 -1.98 -3.41 112.91 109.23 3djc h THR 132 Ca 0.00 -0.52 -0.64 0.00 0.77 0.00 0.00 66.41 66.02 3djc h THR 132 Cb 0.00 -0.05 -0.31 0.00 -1.74 0.00 0.00 68.15 66.05 3djc h THR 132 CO 0.00 0.26 -0.87 0.00 0.37 0.00 0.00 175.52 175.28 3djc s ALA 133 N -6.00 1.89 -0.63 6.16 0.00 -1.26 -1.52 121.76 120.39 3djc s ALA 133 Ca -0.13 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.63 3djc s ALA 133 Cb 0.17 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3djc s ALA 133 CO 0.82 0.40 1.46 0.99 0.00 0.00 0.00 175.76 179.42 3djc s THR 134 N -0.26 3.68 0.13 0.00 2.01 -0.92 -4.59 115.64 115.69 3djc s THR 134 Ca 0.01 0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.53 3djc s THR 134 Cb -0.11 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 3djc s THR 134 CO 0.01 -1.34 0.22 0.42 -0.69 0.00 0.00 174.62 173.25 3djc s THR 135 N 6.55 5.10 -0.06 -0.82 -4.23 -1.00 -1.14 115.64 120.03 3djc s THR 135 Ca 0.50 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3djc s THR 135 Cb -0.10 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.18 3djc s THR 135 CO 0.21 -0.03 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.85 3djc s PHE 136 N -1.67 0.89 -0.20 3.99 0.40 -0.13 -1.60 117.98 119.66 3djc s PHE 136 Ca 0.33 -0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.36 3djc s PHE 136 Cb -0.11 -0.80 0.05 0.00 0.51 0.00 0.00 43.02 42.67 3djc s PHE 136 CO 0.27 -0.27 -0.02 0.00 0.70 0.00 0.00 175.22 175.90 3djc s ALA 138 N 1.65 3.33 -0.07 0.00 0.00 -0.20 -1.58 121.76 124.89 3djc s ALA 138 Ca -0.02 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3djc s ALA 138 Cb -0.17 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3djc s ALA 138 CO -0.07 -0.49 -0.05 0.42 0.00 0.00 0.00 175.76 175.57 3djc s ILE 139 N 1.67 0.68 0.82 0.00 1.01 0.71 -1.51 121.20 124.59 3djc s ILE 139 Ca 0.50 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 3djc s ILE 139 Cb -0.20 -0.72 0.09 0.00 0.01 0.00 0.00 42.46 41.64 3djc s ILE 139 CO 0.22 0.28 1.14 -0.94 0.00 0.00 0.00 174.94 175.64 3djc s SER 140 N 1.35 4.32 0.56 3.58 1.04 -0.07 -0.02 113.70 124.47 3djc s SER 140 Ca -0.03 0.97 0.36 0.00 0.48 0.00 0.00 55.95 57.72 3djc s SER 140 Cb -0.14 -1.56 1.70 0.00 0.10 0.00 0.00 66.02 66.12 3djc s SER 140 CO -0.03 -2.04 2.08 1.12 0.98 0.00 0.00 173.24 175.36 3djc h HIS 141 N -1.14 0.00 -0.23 5.02 2.07 -1.85 -2.94 115.15 116.07 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 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 3djc h HIS 141 CO 0.35 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.84 3djc n LYS 142 N -2.97 2.57 -2.49 5.12 5.02 -1.26 -4.53 118.16 119.62 3djc n LYS 142 Ca -0.01 -1.27 -0.19 0.00 -2.02 0.00 0.00 58.31 54.83 3djc n LYS 142 Cb 0.20 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 0.25 -2.17 -3.63 1.97 5.02 -1.11 -4.83 118.16 113.67 3djc n LYS 143 Ca 0.11 0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 56.89 3djc n LYS 143 Cb 0.63 -5.43 -0.11 0.00 -0.02 0.00 0.00 35.03 30.10 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 -2.97 3.36 -0.65 7.82 0.00 -1.25 -0.75 121.76 127.32 3djc s ALA 144 Ca 0.06 -1.31 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 3djc s ALA 144 Cb -0.03 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.67 3djc s ALA 144 CO 0.08 -0.82 1.49 -0.47 0.00 0.00 0.00 175.76 176.04 3djc s TYR 145 N 1.66 2.10 -0.05 0.00 5.04 -0.39 -0.89 117.35 124.83 3djc s TYR 145 Ca 0.06 0.34 0.18 0.00 -2.44 0.00 0.00 57.07 55.20 3djc s TYR 145 Cb -0.17 -4.41 0.34 0.00 0.35 0.00 0.00 41.96 38.08 3djc s TYR 145 CO 0.08 -2.12 1.57 -0.07 -1.34 0.00 0.00 175.55 173.67 3djc h LEU 146 N 14.00 0.00 0.00 6.97 3.38 -1.55 0.46 115.31 138.58 3djc h LEU 146 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3djc h LEU 146 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3djc h LEU 146 CO 1.23 0.41 0.00 0.61 0.09 0.00 0.00 178.44 180.78 3djc n GLY 147 N 0.84 0.58 0.00 0.83 0.00 -1.22 -4.72 105.19 101.51 3djc n GLY 147 Ca 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.69 3.19 -0.02 0.00 -1.26 -1.03 105.19 105.37 3djc n GLY 148 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.42 -0.10 4.61 0.00 -0.60 -5.01 121.76 119.25 3djc s ALA 149 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 3djc s ALA 149 Cb 0.00 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.41 3djc s ALA 149 CO 0.00 -0.35 -0.03 0.42 0.00 0.00 0.00 175.76 175.79 3djc s ILE 150 N -2.44 0.70 0.28 0.00 1.01 -1.26 -0.96 121.20 118.54 3djc s ILE 150 Ca -0.06 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.57 3djc s ILE 150 Cb -0.02 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3djc s ILE 150 CO -0.03 0.29 0.17 -0.76 0.00 0.00 0.00 174.94 174.61 3djc s LEU 151 N 1.84 3.56 0.72 2.97 1.43 -0.29 -5.01 118.68 123.90 3djc s LEU 151 Ca 0.05 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 3djc s LEU 151 Cb -0.13 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3djc s LEU 151 CO -0.07 -0.13 1.13 -2.16 0.23 0.00 0.00 176.35 175.35 3djc s PRO 152 N -3.84 2.37 0.89 1.29 0.04 -1.26 -2.17 135.00 132.31 3djc s PRO 152 Ca 0.35 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 3djc s PRO 152 Cb -0.06 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.75 3djc s PRO 152 CO 0.24 -1.60 1.23 0.20 0.04 0.00 0.00 177.00 177.11 3djc s GLY 153 N -2.61 1.76 0.22 0.56 0.00 -0.58 -3.86 107.32 102.82 3djc s GLY 153 Ca 0.68 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 3djc s GLY 153 CO 0.47 -0.56 1.68 1.41 0.00 0.00 0.00 173.10 176.10 3djc h LEU 154 N -1.32 0.84 -0.34 0.66 3.38 -1.83 0.88 115.31 117.58 3djc h LEU 154 Ca -0.43 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.14 3djc h LEU 154 Cb 1.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3djc h LEU 154 CO 0.42 0.96 -0.37 -0.09 0.09 0.00 0.00 178.44 179.45 3djc h ARG 155 N 0.77 0.85 0.00 1.13 9.65 -1.89 -2.42 114.38 122.48 3djc h ARG 155 Ca 0.13 -0.46 -0.03 0.00 -1.10 0.00 0.00 59.98 58.52 3djc h ARG 155 Cb 0.59 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3djc h ARG 155 CO 0.04 1.10 -0.15 -0.07 2.80 0.00 0.00 179.97 183.69 3djc h LEU 156 N 0.64 0.00 -0.00 3.80 3.38 -1.75 -1.44 115.31 119.95 3djc h LEU 156 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3djc h LEU 156 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3djc h LEU 156 CO 0.09 0.15 -0.09 0.28 0.09 0.00 0.00 178.44 178.97 3djc h SER 157 N 0.00 0.08 -0.04 -0.43 0.02 -0.84 -2.98 113.55 109.37 3djc h SER 157 Ca -0.00 -0.76 -0.13 0.00 -0.84 0.00 0.00 61.79 60.05 3djc h SER 157 Cb 0.90 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3djc h SER 157 CO 0.02 0.84 -0.40 0.00 -1.14 0.00 0.00 176.83 176.14 3djc h ALA 158 N 0.25 0.86 -0.14 3.77 0.00 -1.45 -2.82 119.26 119.72 3djc h ALA 158 Ca -0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 3djc h ALA 158 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3djc h ALA 158 CO 0.02 0.64 -0.50 -0.44 0.00 0.00 0.00 179.25 178.97 3djc h ASP 159 N 0.46 0.40 0.78 0.00 3.45 -1.40 -2.78 116.42 117.33 3djc h ASP 159 Ca 0.04 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 3djc h ASP 159 Cb 0.90 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.55 3djc h ASP 159 CO 0.08 0.83 -0.11 0.00 -1.57 0.00 0.00 179.24 178.48 3djc h ALA 160 N 1.18 1.06 -0.34 3.45 0.00 -1.41 0.19 119.26 123.39 3djc h ALA 160 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3djc h ALA 160 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3djc h ALA 160 CO 0.08 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.75 3djc n LEU 161 N -3.31 3.04 0.00 0.00 4.77 -1.05 -3.40 117.00 117.05 3djc n LEU 161 Ca -0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 3djc n LEU 161 Cb 0.32 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3djc n LEU 161 CO 0.29 0.48 0.00 -1.54 -1.33 0.00 0.00 177.39 175.30 3djc n SER 162 N 0.45 0.00 -0.03 -1.43 3.41 -0.96 -4.59 113.62 110.48 3djc n SER 162 Ca 0.14 -0.12 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 3djc n SER 162 Cb 0.61 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.42 3djc n SER 162 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3djc n LYS 163 N 0.00 0.66 -0.02 4.33 4.81 0.02 -4.33 118.16 123.63 3djc n LYS 163 Ca 0.00 0.26 0.01 0.00 -0.87 0.00 0.00 58.31 57.71 3djc n LYS 163 Cb 0.03 -1.75 0.02 0.00 0.02 0.00 0.00 35.03 33.35 3djc n LYS 163 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3djc n ASN 164 N -3.11 2.03 0.12 3.14 3.02 -1.22 -5.08 115.26 114.16 3djc n ASN 164 Ca -0.22 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 3djc n ASN 164 Cb 1.06 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 3djc n ASN 164 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3djc n THR 165 N -0.34 0.31 -4.34 3.41 -1.04 -1.26 -5.06 114.28 105.96 3djc n THR 165 Ca 0.01 0.10 -0.26 0.00 -2.04 0.00 0.00 64.05 61.86 3djc n THR 165 Cb 0.25 -0.76 -0.17 0.00 -1.82 0.00 0.00 70.33 67.84 3djc n THR 165 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3djc s SER 170 N -5.21 2.10 0.66 8.00 1.04 -1.26 -4.98 113.70 114.05 3djc s SER 170 Ca 0.00 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 3djc s SER 170 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.21 3djc s SER 170 CO 0.00 -0.02 1.11 0.54 0.98 0.00 0.00 173.24 175.85 3djc s VAL 171 N 1.07 3.28 -0.03 5.02 0.11 -1.26 -5.03 120.40 123.56 3djc s VAL 171 Ca -0.06 0.58 -0.14 0.00 -2.93 0.00 0.00 61.98 59.43 3djc s VAL 171 Cb -0.15 -3.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.55 3djc s VAL 171 CO -0.02 -0.38 0.37 -1.61 -3.33 0.00 0.00 175.10 170.13 3djc s GLU 172 N -4.16 3.89 -0.57 1.54 2.02 -1.26 -4.96 118.70 115.19 3djc s GLU 172 Ca 0.66 0.32 -0.28 0.00 0.02 0.00 0.00 54.97 55.69 3djc s GLU 172 Cb -0.20 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 30.82 3djc s GLU 172 CO 0.42 0.65 1.25 0.42 0.02 0.00 0.00 175.26 178.03 3djc s ILE 173 N -0.90 3.96 0.11 -1.63 -1.09 -1.26 -4.96 121.20 115.44 3djc s ILE 173 Ca 0.22 0.85 0.10 0.00 -2.23 0.00 0.00 60.65 59.59 3djc s ILE 173 Cb -0.16 -4.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 3djc s ILE 173 CO 0.11 -1.29 -0.24 -0.51 -1.23 0.00 0.00 174.94 171.78 3djc s ILE 174 N 5.22 2.03 -0.29 2.92 2.07 -1.26 -5.10 121.20 126.78 3djc s ILE 174 Ca 0.46 -1.64 -0.29 0.00 -1.41 0.00 0.00 60.65 57.77 3djc s ILE 174 Cb -0.08 -1.81 0.01 0.00 0.13 0.00 0.00 42.46 40.71 3djc s ILE 174 CO 0.26 0.06 1.10 -0.75 -1.91 0.00 0.00 174.94 173.69 3djc s LYS 175 N -1.92 4.11 0.19 3.50 2.20 -1.26 -4.85 119.74 121.70 3djc s LYS 175 Ca 0.11 1.20 0.07 0.00 -0.36 0.00 0.00 55.97 56.98 3djc s LYS 175 Cb -0.10 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 3djc s LYS 175 CO 0.05 -0.85 0.06 -0.08 -0.36 0.00 0.00 175.35 174.17 3djc s THR 176 N 3.61 3.97 -0.25 3.43 -1.32 -1.26 -5.05 115.64 118.77 3djc s THR 176 Ca 0.47 -1.40 -0.06 0.00 -1.21 0.00 0.00 61.69 59.50 3djc s THR 176 Cb -0.14 -3.04 -0.16 0.00 -1.51 0.00 0.00 72.50 67.65 3djc s THR 176 CO 0.14 -0.17 -0.19 -0.62 -2.21 0.00 0.00 174.62 171.57 3djc n GLU 177 N -0.40 0.64 -3.44 7.08 -0.58 -1.26 -4.96 120.64 117.72 3djc n GLU 177 Ca -0.09 0.22 -0.38 0.00 -0.42 0.00 0.00 57.16 56.50 3djc n GLU 177 Cb 0.56 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.82 3djc n GLU 177 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3djc s SER 178 N -6.92 6.69 0.07 1.62 0.01 -1.26 -4.97 113.70 108.94 3djc s SER 178 Ca -0.35 0.82 0.05 0.00 1.31 0.00 0.00 55.95 57.78 3djc s SER 178 Cb 0.11 -2.25 -0.23 0.00 0.21 0.00 0.00 66.02 63.85 3djc s SER 178 CO 0.58 0.16 1.09 -0.37 0.41 0.00 0.00 173.24 175.11 3djc h VAL 179 N 4.26 1.45 -1.70 3.43 -1.51 -1.93 -3.42 116.25 116.83 3djc h VAL 179 Ca -0.46 -3.16 -0.65 0.00 -1.23 0.00 0.00 66.70 61.20 3djc h VAL 179 Cb 1.19 2.78 -0.14 0.00 -2.13 0.00 0.00 31.29 32.99 3djc h VAL 179 CO 0.69 0.86 1.28 -0.69 -1.23 0.00 0.00 177.57 178.48 3djc s VAL 180 N -2.67 4.35 0.19 7.19 1.01 -1.26 -4.83 120.40 124.38 3djc s VAL 180 Ca -0.02 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 3djc s VAL 180 Cb 0.09 -4.95 -0.08 0.00 0.00 0.00 0.00 36.38 31.44 3djc s VAL 180 CO 0.83 -1.75 1.22 -0.83 0.00 0.00 0.00 175.10 174.57 3djc s GLY 181 N 4.20 2.64 -0.18 4.51 0.00 -1.26 -4.94 107.32 112.28 3djc s GLY 181 Ca 0.41 0.98 0.16 0.00 0.00 0.00 0.00 44.72 46.26 3djc s GLY 181 CO -0.07 1.89 1.66 0.54 0.00 0.00 0.00 173.10 177.12 3djc n ARG 182 N 2.52 4.24 -3.63 2.90 1.74 -1.26 -4.70 116.66 118.47 3djc n ARG 182 Ca 0.05 -3.02 -0.10 0.00 -0.77 0.00 0.00 57.85 54.01 3djc n ARG 182 Cb 0.44 -2.07 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 3djc n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3djc s SER 183 N -0.97 -0.40 0.48 0.55 1.04 -1.26 -5.02 113.70 108.12 3djc s SER 183 Ca 0.51 -0.30 0.23 0.00 0.48 0.00 0.00 55.95 56.87 3djc s SER 183 Cb 0.37 0.63 1.24 0.00 0.10 0.00 0.00 66.02 68.36 3djc s SER 183 CO 0.18 -1.09 2.01 0.74 0.98 0.00 0.00 173.24 176.06 3djc h THR 184 N 2.06 0.75 0.08 2.02 2.02 -1.99 0.42 112.91 118.26 3djc h THR 184 Ca -0.28 -0.69 -0.26 0.00 0.77 0.00 0.00 66.41 65.95 3djc h THR 184 Cb 1.28 1.42 0.02 0.00 -1.74 0.00 0.00 68.15 69.13 3djc h THR 184 CO 0.34 0.17 -1.06 0.40 0.37 0.00 0.00 175.52 175.74 3djc h ILE 185 N 0.00 1.32 0.00 3.11 2.04 -1.99 -3.05 117.51 118.94 3djc h ILE 185 Ca -0.00 -2.35 -0.13 0.00 1.00 0.00 0.00 64.86 63.37 3djc h ILE 185 Cb 0.41 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3djc h ILE 185 CO 0.02 0.71 -0.63 -0.33 0.00 0.00 0.00 178.15 177.92 3djc h GLU 186 N 0.18 0.00 -0.45 2.37 5.08 -1.84 -2.44 114.58 117.49 3djc h GLU 186 Ca -0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 3djc h GLU 186 Cb 1.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 3djc h GLU 186 CO 0.20 0.63 -0.16 0.77 -1.00 0.00 0.00 179.01 179.45 3djc h SER 187 N 0.00 0.92 0.28 1.42 0.02 -1.01 -1.31 113.55 113.88 3djc h SER 187 Ca -0.01 -0.38 -0.21 0.00 -0.84 0.00 0.00 61.79 60.35 3djc h SER 187 Cb 1.11 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3djc h SER 187 CO 0.08 1.10 -0.85 -0.29 -1.14 0.00 0.00 176.83 175.73 3djc h ILE 188 N 0.74 1.38 -0.03 3.27 2.10 -1.53 -2.47 117.51 120.97 3djc h ILE 188 Ca 0.11 -2.30 -0.08 0.00 1.08 0.00 0.00 64.86 63.67 3djc h ILE 188 Cb 0.72 2.27 -0.01 0.00 -1.09 0.00 0.00 36.82 38.71 3djc h ILE 188 CO 0.05 0.69 -0.36 1.56 -1.08 0.00 0.00 178.15 179.01 3djc h GLN 189 N 0.27 0.06 0.11 2.19 4.20 -1.41 -1.46 115.11 119.07 3djc h GLN 189 Ca -0.06 -0.02 -0.30 0.00 0.06 0.00 0.00 58.65 58.33 3djc h GLN 189 Cb 1.46 -0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.26 3djc h GLN 189 CO 0.15 0.42 -1.23 0.77 -0.67 0.00 0.00 178.83 178.26 3djc h SER 190 N 0.05 0.84 0.42 1.46 0.02 -1.20 -2.90 113.55 112.25 3djc h SER 190 Ca 0.00 -0.78 -0.02 0.00 -0.84 0.00 0.00 61.79 60.16 3djc h SER 190 Cb 0.67 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3djc h SER 190 CO 0.05 1.58 -0.20 1.23 -1.14 0.00 0.00 176.83 178.35 3djc h GLY 191 N 0.42 -0.59 2.00 -3.77 0.00 -1.41 -1.47 103.07 98.25 3djc h GLY 191 Ca -0.18 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3djc h GLY 191 CO 0.23 -0.21 0.00 -2.08 0.00 0.00 0.00 176.54 174.48 3djc h VAL 192 N -0.78 0.00 0.00 4.60 2.07 -1.39 0.33 116.25 121.08 3djc h VAL 192 Ca -0.06 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3djc h VAL 192 Cb 0.54 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3djc h VAL 192 CO 0.09 0.00 -0.94 0.00 0.02 0.00 0.00 177.57 176.74 3djc n TYR 193 N -2.88 0.89 0.91 1.57 9.36 -1.09 -4.20 117.16 121.72 3djc n TYR 193 Ca -0.01 0.39 0.14 0.00 3.32 0.00 0.00 57.90 61.73 3djc n TYR 193 Cb 0.14 -0.91 0.56 0.00 -0.63 0.00 0.00 39.34 38.49 3djc n TYR 193 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3djc n TYR 194 N -4.52 0.22 -0.02 2.98 4.01 -0.56 -2.56 117.16 116.72 3djc n TYR 194 Ca -0.20 0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.48 3djc n TYR 194 Cb 0.48 -0.60 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 3djc n TYR 194 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3djc h GLY 195 N 4.89 -0.04 1.60 2.72 0.00 -0.51 -2.77 103.07 108.95 3djc h GLY 195 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3djc h GLY 195 CO 0.00 -0.02 -0.42 -0.24 0.00 0.00 0.00 176.54 175.86 3djc h VAL 196 N -0.74 1.31 -0.85 4.60 3.04 -1.72 0.29 116.25 122.18 3djc h VAL 196 Ca -0.00 -1.58 -0.01 0.00 -1.01 0.00 0.00 66.70 64.09 3djc h VAL 196 Cb 0.66 1.62 -0.04 0.00 -2.01 0.00 0.00 31.29 31.52 3djc h VAL 196 CO 0.01 0.49 0.48 0.25 -1.01 0.00 0.00 177.57 177.79 3djc h LEU 197 N 0.36 1.04 -0.19 3.16 7.12 -1.63 0.20 115.31 125.37 3djc h LEU 197 Ca 0.03 -0.08 -0.22 0.00 0.13 0.00 0.00 57.88 57.74 3djc h LEU 197 Cb 0.89 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 3djc h LEU 197 CO 0.07 0.82 -0.93 1.23 -0.13 0.00 0.00 178.44 179.50 3djc h GLY 198 N 1.17 0.42 0.96 3.75 0.00 -1.25 -3.08 103.07 105.03 3djc h GLY 198 Ca 0.30 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3djc h GLY 198 CO -0.05 0.65 0.23 0.00 0.00 0.00 0.00 176.54 177.36 3djc h ALA 199 N 0.78 0.47 -0.25 3.60 0.00 -0.08 -2.46 119.26 121.31 3djc h ALA 199 Ca -0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3djc h ALA 199 Cb 1.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 3djc h ALA 199 CO 0.16 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.37 3djc h LYS 201 N 0.17 0.39 -0.23 0.00 1.57 -1.42 0.26 116.57 117.31 3djc h LYS 201 Ca 0.11 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3djc h LYS 201 Cb 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3djc h LYS 201 CO -0.13 0.26 -0.25 1.49 -0.57 0.00 0.00 179.45 180.24 3djc h GLU 202 N 0.40 0.57 0.09 3.15 4.57 -1.36 -2.88 114.58 119.13 3djc h GLU 202 Ca 0.27 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3djc h GLU 202 Cb 0.30 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3djc h GLU 202 CO -0.26 0.90 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.36 3djc h LEU 203 N 0.26 -0.10 -0.29 1.64 -0.00 -0.82 -2.19 115.31 113.81 3djc h LEU 203 Ca 0.03 -0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.95 3djc h LEU 203 Cb 0.81 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.43 3djc h LEU 203 CO 0.06 -0.04 -0.14 0.40 -0.00 0.00 0.00 178.44 178.72 3djc h ILE 204 N -0.16 0.57 0.00 1.22 2.04 -0.55 -0.57 117.51 120.07 3djc h ILE 204 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3djc h ILE 204 Cb 0.12 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3djc h ILE 204 CO 0.02 0.00 -0.48 0.06 0.00 0.00 0.00 178.15 177.75 3djc h GLN 205 N -0.09 0.00 0.08 2.37 3.07 -1.49 0.51 115.11 119.55 3djc h GLN 205 Ca 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.63 3djc h GLN 205 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.91 3djc h GLN 205 CO -0.35 0.48 -1.06 0.00 0.09 0.00 0.00 178.83 177.99 3djc h ARG 206 N 0.00 0.58 -0.47 0.06 2.47 -1.07 -2.82 114.38 113.14 3djc h ARG 206 Ca -0.00 -0.73 -0.05 0.00 -1.26 0.00 0.00 59.98 57.94 3djc h ARG 206 Cb 0.86 0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 3djc h ARG 206 CO 0.06 1.32 0.10 0.82 0.56 0.00 0.00 179.97 182.83 3djc h ILE 207 N 0.18 1.24 -0.84 2.04 2.04 -1.06 0.63 117.51 121.75 3djc h ILE 207 Ca -0.15 -0.86 0.19 0.00 1.00 0.00 0.00 64.86 65.03 3djc h ILE 207 Cb 1.75 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 3djc h ILE 207 CO 0.20 0.30 0.56 -0.74 0.00 0.00 0.00 178.15 178.48 3djc h HIS 208 N 0.63 0.48 0.01 1.37 2.76 -0.94 -0.62 115.15 118.85 3djc h HIS 208 Ca 0.14 0.01 -0.36 0.00 -2.20 0.00 0.00 60.37 57.97 3djc h HIS 208 Cb 0.35 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.10 3djc h HIS 208 CO 0.02 0.15 -2.24 1.58 -1.30 0.00 0.00 177.93 176.14 3djc n HIS 209 N -4.48 0.32 -0.01 5.26 -0.00 -1.06 -0.93 115.22 114.31 3djc n HIS 209 Ca 0.17 0.10 -0.16 0.00 -0.00 0.00 0.00 57.72 57.83 3djc n HIS 209 Cb 0.65 -1.05 -0.11 0.00 -0.00 0.00 0.00 29.99 29.48 3djc n HIS 209 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3djc h GLU 210 N 0.01 0.29 0.04 1.57 5.08 -0.75 -3.06 114.58 117.76 3djc h GLU 210 Ca -0.49 -0.31 -0.37 0.00 -1.00 0.00 0.00 59.36 57.19 3djc h GLU 210 Cb 2.10 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.39 3djc h GLU 210 CO 0.02 1.01 -2.21 0.00 -1.00 0.00 0.00 179.01 176.83 3djc n ALA 211 N -2.56 1.26 0.37 3.43 0.00 -0.25 -4.59 120.51 118.16 3djc n ALA 211 Ca -0.10 -0.92 0.04 0.00 0.00 0.00 0.00 53.44 52.46 3djc n ALA 211 Cb 0.59 -0.40 0.02 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.24 0.00 -4.06 0.00 0.99 -1.19 -5.03 117.46 104.94 3djc n PHE 212 Ca -0.36 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 56.81 3djc n PHE 212 Cb 1.04 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 39.44 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 0.20 0.44 -0.58 4.37 0.23 -0.47 -1.81 115.26 117.64 3djc n ASN 213 Ca 0.04 -1.10 -0.07 0.00 -0.53 0.00 0.00 54.58 52.93 3djc n ASN 213 Cb 0.20 -1.36 -0.03 0.00 -2.08 0.00 0.00 39.78 36.52 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3djc n GLY 214 N -2.32 0.84 0.53 4.83 0.00 -0.11 -4.95 105.19 104.01 3djc n GLY 214 Ca -0.27 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 3djc n GLY 214 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3djc n ASP 215 N 0.81 -0.53 -4.77 1.61 10.43 -0.75 -5.01 116.55 118.35 3djc n ASP 215 Ca -0.07 -0.85 -0.40 0.00 2.57 0.00 0.00 54.79 56.04 3djc n ASP 215 Cb 0.28 -0.15 -0.03 0.00 1.84 0.00 0.00 41.12 43.06 3djc n ASP 215 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3djc s GLN 216 N -3.39 4.41 0.10 -1.24 1.11 -1.26 -5.06 119.66 114.33 3djc s GLN 216 Ca 0.11 1.98 0.03 0.00 0.01 0.00 0.00 55.36 57.49 3djc s GLN 216 Cb -0.01 -3.04 -0.04 0.00 -1.01 0.00 0.00 33.01 28.92 3djc s GLN 216 CO 0.08 -0.05 -0.09 0.96 0.01 0.00 0.00 175.29 176.19 3djc s ILE 217 N -1.20 0.88 -0.03 1.08 -4.36 -1.26 -4.35 121.20 111.95 3djc s ILE 217 Ca 0.49 -1.69 0.07 0.00 -0.26 0.00 0.00 60.65 59.25 3djc s ILE 217 Cb -0.35 -1.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 3djc s ILE 217 CO 0.45 -0.63 -0.23 -0.22 0.24 0.00 0.00 174.94 174.56 3djc s LEU 218 N -2.56 2.04 -0.19 0.37 2.96 -0.22 -5.01 118.68 116.06 3djc s LEU 218 Ca 0.07 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3djc s LEU 218 Cb -0.01 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.46 3djc s LEU 218 CO -0.01 0.27 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.56 3djc s ILE 219 N -0.41 3.00 -0.18 6.68 1.01 -1.26 -1.50 121.20 128.53 3djc s ILE 219 Ca 0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 3djc s ILE 219 Cb -0.10 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3djc s ILE 219 CO 0.00 0.47 -0.08 -0.76 0.00 0.00 0.00 174.94 174.58 3djc s LEU 220 N 1.24 2.87 -0.15 2.97 1.02 -0.25 -0.91 118.68 125.47 3djc s LEU 220 Ca 0.03 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 3djc s LEU 220 Cb -0.14 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 3djc s LEU 220 CO -0.04 0.08 -0.08 0.00 0.02 0.00 0.00 176.35 176.32 3djc s ALA 221 N 0.90 2.80 0.42 4.21 0.00 -0.16 0.64 121.76 130.58 3djc s ALA 221 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3djc s ALA 221 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 3djc s ALA 221 CO 0.01 0.18 0.12 -2.37 0.00 0.00 0.00 175.76 173.69 3djc n THR 222 N 3.62 0.00 0.00 0.00 5.66 -0.03 -1.25 114.28 122.28 3djc n THR 222 Ca -0.18 -2.35 0.00 0.00 -3.05 0.00 0.00 64.05 58.47 3djc n THR 222 Cb 0.52 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 3djc n THR 222 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3djc n GLY 223 N -0.80 -0.01 0.27 1.09 0.00 -1.26 -1.22 105.19 103.27 3djc n GLY 223 Ca -0.09 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.46 -0.02 0.00 -1.90 -2.69 103.07 98.01 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 -3.66 0.01 0.18 5.60 0.99 -1.04 -4.39 117.46 115.16 3djc n PHE 225 Ca -0.02 -0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.46 3djc n PHE 225 Cb 0.19 0.00 0.35 0.00 -1.00 0.00 0.00 39.48 39.02 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3djc h ALA 226 N 4.34 1.18 0.00 4.37 0.00 -1.69 -3.09 119.26 124.38 3djc h ALA 226 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3djc h ALA 226 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3djc h ALA 226 CO 0.00 0.50 -0.14 0.77 0.00 0.00 0.00 179.25 180.38 3djc h SER 227 N 0.00 0.00 0.36 0.00 0.02 -1.81 -2.86 113.55 109.27 3djc h SER 227 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3djc h SER 227 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3djc h SER 227 CO 0.05 0.14 0.00 0.18 -1.14 0.00 0.00 176.83 176.07 3djc n LEU 228 N -4.28 0.00 -0.45 5.07 4.77 -1.17 -2.38 117.00 118.56 3djc n LEU 228 Ca -0.03 0.47 0.07 0.00 -0.03 0.00 0.00 56.01 56.50 3djc n LEU 228 Cb 0.22 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.01 3djc n LEU 228 CO 0.35 -0.29 0.42 0.49 -1.33 0.00 0.00 177.39 177.03 3djc n PHE 229 N -1.47 0.00 0.12 -1.77 3.72 -1.08 -4.71 117.46 112.27 3djc n PHE 229 Ca 0.03 -1.28 -0.01 0.00 -0.05 0.00 0.00 57.45 56.14 3djc n PHE 229 Cb 0.13 -0.21 0.25 0.00 -0.94 0.00 0.00 39.48 38.70 3djc n PHE 229 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3djc h ASP 230 N 0.66 0.16 -0.21 4.37 3.58 -1.62 -3.22 116.42 120.13 3djc h ASP 230 Ca -0.01 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 3djc h ASP 230 Cb 1.04 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 3djc h ASP 230 CO 0.00 0.58 -0.19 0.50 -2.88 0.00 0.00 179.24 177.25 3djc h LYS 231 N 0.13 0.50 0.00 0.28 1.63 -1.84 -3.37 116.57 113.89 3djc h LYS 231 Ca 0.01 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3djc h LYS 231 Cb 0.82 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 3djc h LYS 231 CO 0.06 0.83 0.00 1.04 -3.45 0.00 0.00 179.45 177.93 3djc n GLN 232 N -4.45 0.68 -3.61 1.90 3.00 -1.22 -4.85 117.38 108.84 3djc n GLN 232 Ca -0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 3djc n GLN 232 Cb 0.40 -1.40 0.08 0.00 0.00 0.00 0.00 30.24 29.32 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 0.32 -0.54 0.08 1.08 0.00 -1.26 -4.93 105.19 99.94 3djc n GLY 233 Ca 0.13 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.66 0.00 -9.59 0.99 5.85 -1.89 -3.47 115.31 104.53 3djc h LEU 234 Ca -0.57 -0.70 -0.57 0.00 0.84 0.00 0.00 57.88 56.88 3djc h LEU 234 Cb 1.37 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.31 3djc h LEU 234 CO 0.56 1.10 -0.63 -0.72 -0.34 0.00 0.00 178.44 178.42 3djc s TYR 235 N -2.21 2.83 -0.03 1.25 1.13 -1.26 -4.95 117.35 114.11 3djc s TYR 235 Ca -0.20 -0.17 0.04 0.00 -1.41 0.00 0.00 57.07 55.33 3djc s TYR 235 Cb 0.00 -1.30 -0.25 0.00 -1.10 0.00 0.00 41.96 39.31 3djc s TYR 235 CO 0.57 0.56 0.73 -0.44 -2.51 0.00 0.00 175.55 174.46 3djc h ASP 236 N 2.14 0.20 -3.68 -0.18 3.32 -1.39 -3.47 116.42 113.35 3djc h ASP 236 Ca -0.46 -0.34 -0.29 0.00 0.02 0.00 0.00 57.03 55.96 3djc h ASP 236 Cb 1.23 -0.06 -0.30 0.00 0.22 0.00 0.00 39.33 40.41 3djc h ASP 236 CO 0.59 1.30 -0.74 -1.00 -1.72 0.00 0.00 179.24 177.68 3djc s HIS 237 N -2.61 0.19 -0.37 4.55 3.76 -0.69 -5.00 115.29 115.12 3djc s HIS 237 Ca -0.09 -0.00 -0.15 0.00 -0.15 0.00 0.00 55.06 54.67 3djc s HIS 237 Cb 0.08 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.56 3djc s HIS 237 CO 0.82 -0.05 0.31 -1.17 -0.85 0.00 0.00 174.74 173.80 3djc s LEU 238 N 0.37 4.74 -0.52 0.89 2.96 -1.26 -0.98 118.68 124.88 3djc s LEU 238 Ca -0.03 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3djc s LEU 238 Cb -0.06 -2.21 0.14 0.00 0.50 0.00 0.00 46.19 44.56 3djc s LEU 238 CO -0.01 -0.37 0.30 -0.69 -1.32 0.00 0.00 176.35 174.26 3djc s VAL 239 N 1.81 2.16 0.33 1.68 1.01 -0.38 -4.98 120.40 122.03 3djc s VAL 239 Ca 0.07 -3.21 0.34 0.00 0.00 0.00 0.00 61.98 59.19 3djc s VAL 239 Cb -0.18 -2.49 0.37 0.00 0.00 0.00 0.00 36.38 34.09 3djc s VAL 239 CO 0.11 -0.88 2.10 1.55 0.00 0.00 0.00 175.10 177.97 3djc h PRO 240 N 6.35 0.00 -0.47 2.72 0.13 -1.93 -3.02 132.00 135.77 3djc h PRO 240 Ca -0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3djc h PRO 240 Cb 0.88 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.96 3djc h PRO 240 CO 0.61 0.05 0.07 -0.25 -0.23 0.00 0.00 178.00 178.25 3djc n ASP 241 N -3.24 4.40 -0.02 1.44 9.92 -1.26 -4.49 116.55 123.29 3djc n ASP 241 Ca -0.01 -3.14 -0.03 0.00 -0.53 0.00 0.00 54.79 51.08 3djc n ASP 241 Cb 0.24 -0.64 0.21 0.00 -0.64 0.00 0.00 41.12 40.29 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 2.41 0.56 -0.53 0.64 5.85 -1.93 -1.78 115.31 120.54 3djc h LEU 242 Ca 0.10 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3djc h LEU 242 Cb 1.83 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 3djc h LEU 242 CO 0.44 0.72 0.02 1.62 -0.34 0.00 0.00 178.44 180.90 3djc h VAL 243 N 0.53 1.26 -0.08 1.05 3.04 -1.86 -2.28 116.25 117.91 3djc h VAL 243 Ca 0.09 -1.07 -0.15 0.00 -1.01 0.00 0.00 66.70 64.56 3djc h VAL 243 Cb 0.54 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 3djc h VAL 243 CO 0.03 0.38 -0.59 -0.07 -1.01 0.00 0.00 177.57 176.31 3djc h LEU 244 N 0.80 0.31 -0.41 3.16 3.38 -1.86 -1.06 115.31 119.63 3djc h LEU 244 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3djc h LEU 244 Cb 0.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3djc h LEU 244 CO 0.02 0.83 0.20 1.56 0.09 0.00 0.00 178.44 181.14 3djc h GLN 245 N 0.20 0.58 0.00 1.13 4.20 -1.35 -2.44 115.11 117.44 3djc h GLN 245 Ca -0.00 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 3djc h GLN 245 Cb 1.09 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3djc h GLN 245 CO 0.09 0.50 -0.41 0.78 -0.67 0.00 0.00 178.83 179.12 3djc h GLY 246 N 0.52 0.00 0.70 3.46 0.00 -1.01 0.55 103.07 107.30 3djc h GLY 246 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3djc h GLY 246 CO -0.02 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 174.19 3djc h ILE 247 N 0.00 1.35 -0.22 2.60 2.04 -1.20 -2.51 117.51 119.57 3djc h ILE 247 Ca -0.00 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3djc h ILE 247 Cb 0.85 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3djc h ILE 247 CO 0.05 0.36 0.14 -0.09 0.00 0.00 0.00 178.15 178.61 3djc h ARG 248 N -0.10 0.29 -0.34 2.37 2.43 -1.12 -1.66 114.38 116.25 3djc h ARG 248 Ca 0.02 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3djc h ARG 248 Cb 0.63 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3djc h ARG 248 CO 0.03 0.22 0.16 -0.07 -1.51 0.00 0.00 179.97 178.80 3djc h LEU 249 N 0.28 0.23 -1.45 3.80 4.07 -1.00 -2.61 115.31 118.64 3djc h LEU 249 Ca 0.08 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.07 3djc h LEU 249 Cb 0.00 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 3djc h LEU 249 CO -0.02 0.18 0.38 0.00 -1.08 0.00 0.00 178.44 177.90 3djc h ALA 250 N 1.18 1.63 -0.23 1.53 0.00 -1.20 -2.15 119.26 120.02 3djc h ALA 250 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3djc h ALA 250 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3djc h ALA 250 CO -0.10 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.48 3djc h ALA 251 N 1.65 0.31 -0.68 0.00 0.00 -1.13 -3.09 119.26 116.31 3djc h ALA 251 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3djc h ALA 251 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3djc h ALA 251 CO -0.05 0.03 0.43 0.52 0.00 0.00 0.00 179.25 180.17 3djc h MET 252 N 0.17 0.83 0.00 0.00 2.07 -1.07 -1.21 114.93 115.71 3djc h MET 252 Ca 0.07 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 3djc h MET 252 Cb 0.39 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 3djc h MET 252 CO 0.01 0.55 0.00 0.52 1.07 0.00 0.00 176.91 179.06 3djc h MET 253 N 0.86 0.00 -0.00 1.72 2.86 -1.41 -3.05 114.93 115.90 3djc h MET 253 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3djc h MET 253 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3djc h MET 253 CO -0.09 0.00 -0.10 0.09 1.06 0.00 0.00 176.91 177.86 3djc n ASN 254 N -2.47 0.89 -4.43 1.22 3.02 -0.82 -4.83 115.26 107.85 3djc n ASN 254 Ca -0.00 -0.95 -0.35 0.00 -0.03 0.00 0.00 54.58 53.25 3djc n ASN 254 Cb 0.14 0.46 -0.13 0.00 -0.61 0.00 0.00 39.78 39.64 3djc n ASN 254 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 255 N -0.92 3.93 -2.12 3.41 2.01 -0.52 -5.08 115.64 116.36 3djc s THR 255 Ca 0.04 -0.32 0.31 0.00 0.31 0.00 0.00 61.69 62.04 3djc s THR 255 Cb 0.04 -2.79 0.83 0.00 0.01 0.00 0.00 72.50 70.59 3djc s THR 255 CO 0.13 0.41 2.12 0.00 -0.69 0.00 0.00 174.62 176.59