#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 4.83 -0.24 -0.08 -1.16 -1.24 -0.84 121.20 122.47 3djc s ILE 2 Ca 0.00 -0.03 -0.06 0.00 -0.51 0.00 0.00 60.65 60.05 3djc s ILE 2 Cb 0.00 -3.14 -0.02 0.00 0.61 0.00 0.00 42.46 39.91 3djc s ILE 2 CO 0.00 0.51 0.04 -0.22 -2.81 0.00 0.00 174.94 172.47 3djc s LEU 3 N -0.09 3.33 -0.09 8.50 2.96 -0.00 -1.96 118.68 131.32 3djc s LEU 3 Ca 0.07 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3djc s LEU 3 Cb -0.12 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3djc s LEU 3 CO 0.01 -0.04 0.01 0.00 -1.32 0.00 0.00 176.35 175.01 3djc s ILE 5 N -0.84 0.63 -0.33 0.00 1.01 0.12 -1.73 121.20 120.05 3djc s ILE 5 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 3djc s ILE 5 Cb -0.11 -0.68 0.05 0.00 0.01 0.00 0.00 42.46 41.72 3djc s ILE 5 CO 0.02 0.27 0.08 -0.62 0.00 0.00 0.00 174.94 174.70 3djc s ASP 6 N 1.35 5.19 -0.94 3.58 2.15 0.28 0.18 116.67 128.46 3djc s ASP 6 Ca -0.04 -1.26 -0.20 0.00 0.43 0.00 0.00 52.55 51.48 3djc s ASP 6 Cb -0.14 -1.82 0.10 0.00 -0.30 0.00 0.00 42.92 40.76 3djc s ASP 6 CO -0.03 -0.33 1.23 -0.69 -0.17 0.00 0.00 175.17 175.18 3djc s VAL 7 N 1.34 4.42 0.57 1.11 1.01 0.31 0.28 120.40 129.45 3djc s VAL 7 Ca -0.02 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 3djc s VAL 7 Cb -0.20 -4.87 0.13 0.00 0.00 0.00 0.00 36.38 31.44 3djc s VAL 7 CO 0.01 -1.66 0.78 0.61 0.00 0.00 0.00 175.10 174.84 3djc n GLY 8 N 5.95 -0.80 0.12 4.51 0.00 0.13 -2.08 105.19 113.02 3djc n GLY 8 Ca 0.25 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.90 0.47 0.07 1.61 4.21 -1.95 -3.37 115.58 115.72 3djc h ASN 9 Ca -0.25 -0.62 -0.00 0.00 1.21 0.00 0.00 56.30 56.64 3djc h ASN 9 Cb 0.75 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 3djc h ASN 9 CO 0.20 1.51 -0.04 0.77 -1.29 0.00 0.00 177.43 178.58 3djc h SER 10 N 0.08 -0.08 -4.35 5.81 4.64 -1.95 -3.44 113.55 114.25 3djc h SER 10 Ca -0.25 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.45 3djc h SER 10 Cb 2.04 0.02 -0.28 0.00 -0.31 0.00 0.00 62.40 63.87 3djc h SER 10 CO 0.18 0.42 -0.84 -1.00 -0.87 0.00 0.00 176.83 174.72 3djc s HIS 11 N -1.92 1.76 -0.25 4.77 3.76 -1.26 -3.05 115.29 119.10 3djc s HIS 11 Ca -0.02 -0.35 -0.28 0.00 -0.15 0.00 0.00 55.06 54.26 3djc s HIS 11 Cb 0.00 -1.10 0.01 0.00 1.11 0.00 0.00 32.58 32.60 3djc s HIS 11 CO 0.08 0.02 1.01 0.42 -0.85 0.00 0.00 174.74 175.41 3djc s ILE 12 N -0.59 4.68 -0.09 0.60 1.01 0.22 -0.70 121.20 126.34 3djc s ILE 12 Ca 0.07 1.89 0.04 0.00 0.00 0.00 0.00 60.65 62.66 3djc s ILE 12 Cb -0.08 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3djc s ILE 12 CO 0.00 -0.21 -0.22 -0.47 0.00 0.00 0.00 174.94 174.05 3djc s TYR 13 N 3.21 2.30 0.11 3.97 5.04 0.14 -0.60 117.35 131.52 3djc s TYR 13 Ca 0.42 -0.89 0.01 0.00 -2.44 0.00 0.00 57.07 54.17 3djc s TYR 13 Cb -0.15 -1.55 -0.04 0.00 0.35 0.00 0.00 41.96 40.57 3djc s TYR 13 CO 0.08 -0.36 -0.02 0.20 -1.34 0.00 0.00 175.55 174.11 3djc s GLY 14 N 0.33 0.84 -0.11 8.97 0.00 -0.32 0.10 107.32 117.14 3djc s GLY 14 Ca -0.16 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 3djc s GLY 14 CO 0.07 -1.43 0.73 -0.32 0.00 0.00 0.00 173.10 172.16 3djc s GLY 15 N -3.05 -0.53 -0.20 0.20 0.00 -0.71 -1.07 107.32 101.98 3djc s GLY 15 Ca 0.16 1.56 -0.09 0.00 0.00 0.00 0.00 44.72 46.34 3djc s GLY 15 CO -0.03 1.12 0.11 0.54 0.00 0.00 0.00 173.10 174.84 3djc s VAL 16 N -0.88 5.14 -0.34 1.40 0.11 -0.57 -1.40 120.40 123.86 3djc s VAL 16 Ca -0.08 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 3djc s VAL 16 Cb -0.01 -3.34 -0.02 0.00 -1.53 0.00 0.00 36.38 31.48 3djc s VAL 16 CO 0.07 0.43 0.30 -0.36 -3.33 0.00 0.00 175.10 172.22 3djc s PHE 17 N 0.48 3.22 -1.19 1.54 0.40 -0.83 -0.92 117.98 120.68 3djc s PHE 17 Ca 0.06 -0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.12 3djc s PHE 17 Cb -0.12 -2.57 0.10 0.00 0.51 0.00 0.00 43.02 40.94 3djc s PHE 17 CO -0.00 -0.39 1.53 0.34 0.70 0.00 0.00 175.22 177.40 3djc s ASP 18 N 1.73 6.83 1.36 1.36 3.68 0.10 -3.67 116.67 128.06 3djc s ASP 18 Ca 0.09 -2.42 0.00 0.00 2.13 0.00 0.00 52.55 52.36 3djc s ASP 18 Cb -0.17 -2.50 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 3djc s ASP 18 CO 0.11 -1.08 0.00 0.61 0.13 0.00 0.00 175.17 174.94 3djc n GLY 19 N 5.25 2.38 0.09 2.66 0.00 -1.26 -3.39 105.19 110.93 3djc n GLY 19 Ca 0.40 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.27 -3.02 1.61 -0.00 -2.02 -3.47 116.42 109.78 3djc h ASP 20 Ca 0.00 -0.32 -0.62 0.00 -0.00 0.00 0.00 57.03 56.09 3djc h ASP 20 Cb 0.00 -0.09 -0.07 0.00 -0.00 0.00 0.00 39.33 39.17 3djc h ASP 20 CO 0.00 1.26 -0.57 -1.83 -0.00 0.00 0.00 179.24 178.10 3djc s GLU 21 N -2.65 3.02 0.04 0.28 -1.05 -1.22 -5.05 118.70 112.07 3djc s GLU 21 Ca -0.04 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.81 3djc s GLU 21 Cb 0.08 -2.79 -0.05 0.00 -0.44 0.00 0.00 34.13 30.93 3djc s GLU 21 CO 0.85 0.56 1.18 0.42 0.95 0.00 0.00 175.26 179.22 3djc s ILE 22 N -1.48 4.14 -0.16 1.83 1.01 -1.26 -0.73 121.20 124.55 3djc s ILE 22 Ca 0.31 1.53 0.16 0.00 0.00 0.00 0.00 60.65 62.65 3djc s ILE 22 Cb -0.12 -3.98 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 3djc s ILE 22 CO 0.24 0.10 0.22 1.17 0.00 0.00 0.00 174.94 176.67 3djc n LYS 23 N 4.12 0.67 -3.66 2.79 4.81 -0.10 -4.86 118.16 121.94 3djc n LYS 23 Ca 0.09 0.08 -0.15 0.00 -0.87 0.00 0.00 58.31 57.46 3djc n LYS 23 Cb 0.47 -1.60 -0.08 0.00 0.02 0.00 0.00 35.03 33.84 3djc n LYS 23 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3djc s LEU 24 N -5.70 0.07 0.06 3.14 2.96 -1.23 -5.02 118.68 112.97 3djc s LEU 24 Ca -0.09 0.65 0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3djc s LEU 24 Cb 0.07 1.85 -0.03 0.00 0.50 0.00 0.00 46.19 48.58 3djc s LEU 24 CO 0.82 -0.39 -0.14 0.00 -1.32 0.00 0.00 176.35 175.31 3djc s ARG 25 N -0.67 0.87 0.04 1.98 3.03 -1.26 -1.51 118.95 121.43 3djc s ARG 25 Ca -0.08 -0.87 -0.04 0.00 2.03 0.00 0.00 55.73 56.77 3djc s ARG 25 Cb -0.03 -0.88 -0.02 0.00 -1.03 0.00 0.00 34.95 32.99 3djc s ARG 25 CO 0.05 0.21 0.06 -0.59 -1.13 0.00 0.00 175.30 173.89 3djc s PHE 26 N -1.09 0.27 -0.00 5.89 -0.71 -0.23 -4.99 117.98 117.12 3djc s PHE 26 Ca -0.00 -0.62 0.04 0.00 -1.04 0.00 0.00 56.93 55.31 3djc s PHE 26 Cb -0.09 -0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 3djc s PHE 26 CO 0.02 -0.36 -0.13 0.50 -1.34 0.00 0.00 175.22 173.91 3djc s ARG 27 N -2.78 1.03 0.01 1.99 3.52 -1.26 -1.17 118.95 120.28 3djc s ARG 27 Ca -0.03 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3djc s ARG 27 Cb -0.00 -1.00 -0.01 0.00 -1.56 0.00 0.00 34.95 32.38 3djc s ARG 27 CO -0.05 0.27 -0.06 -1.58 -0.81 0.00 0.00 175.30 173.06 3djc s HIS 28 N -0.40 0.53 0.18 5.12 2.46 0.24 -5.01 115.29 118.41 3djc s HIS 28 Ca 0.04 -0.22 -0.32 0.00 0.47 0.00 0.00 55.06 55.04 3djc s HIS 28 Cb -0.05 -0.33 -0.11 0.00 -0.13 0.00 0.00 32.58 31.95 3djc s HIS 28 CO -0.00 -0.03 1.67 0.99 -2.47 0.00 0.00 174.74 174.89 3djc s THR 29 N -0.53 2.29 -1.51 0.89 2.01 -1.26 0.72 115.64 118.26 3djc s THR 29 Ca -0.02 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 3djc s THR 29 Cb -0.05 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 3djc s THR 29 CO -0.00 0.01 2.62 -1.54 -0.69 0.00 0.00 174.62 175.02 3djc n SER 30 N 4.10 7.41 -2.13 3.53 3.41 -1.17 -4.65 113.62 124.12 3djc n SER 30 Ca 0.15 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 3djc n SER 30 Cb 0.37 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 3djc n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3djc n LYS 31 N 3.68 -0.12 -3.19 4.33 4.76 -1.26 -4.96 118.16 121.40 3djc n LYS 31 Ca 0.67 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.68 3djc n LYS 31 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.47 3djc n LYS 31 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3djc n VAL 32 N -2.00 4.87 -2.35 -0.18 3.14 -1.26 -4.84 118.33 115.71 3djc n VAL 32 Ca 0.00 -5.65 -0.25 0.00 -2.96 0.00 0.00 64.34 55.48 3djc n VAL 32 Cb 0.00 -2.32 0.10 0.00 -1.06 0.00 0.00 33.84 30.55 3djc n VAL 32 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3djc s SER 33 N -0.31 4.44 0.46 6.55 0.01 -1.26 -5.11 113.70 118.47 3djc s SER 33 Ca 0.31 0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.72 3djc s SER 33 Cb -0.02 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.66 3djc s SER 33 CO 0.01 -1.81 0.62 0.42 0.41 0.00 0.00 173.24 172.89 3djc s THR 34 N -3.25 2.87 0.47 1.44 -4.23 -1.26 -4.81 115.64 106.87 3djc s THR 34 Ca 0.64 -0.94 0.13 0.00 -1.18 0.00 0.00 61.69 60.34 3djc s THR 34 Cb -0.08 -2.93 0.24 0.00 1.34 0.00 0.00 72.50 71.08 3djc s THR 34 CO 0.45 0.00 2.07 0.77 -0.54 0.00 0.00 174.62 177.37 3djc h SER 35 N 0.50 0.10 0.05 3.99 4.64 -1.94 0.63 113.55 121.53 3djc h SER 35 Ca -0.39 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 60.64 3djc h SER 35 Cb 1.28 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3djc h SER 35 CO 0.46 0.14 -1.13 0.44 -0.87 0.00 0.00 176.83 175.86 3djc h ASP 36 N 0.12 0.90 -0.49 4.97 3.32 -1.94 -0.72 116.42 122.59 3djc h ASP 36 Ca 0.03 -0.77 -0.07 0.00 0.02 0.00 0.00 57.03 56.24 3djc h ASP 36 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3djc h ASP 36 CO 0.00 1.57 0.03 -0.33 -1.72 0.00 0.00 179.24 178.79 3djc h GLU 37 N 0.35 0.84 0.00 3.56 5.08 -1.83 -1.63 114.58 120.96 3djc h GLU 37 Ca -0.16 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 3djc h GLU 37 Cb 1.79 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 3djc h GLU 37 CO 0.22 0.87 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.63 3djc h LEU 38 N 0.71 0.00 -0.11 1.33 3.38 -0.98 -2.92 115.31 116.72 3djc h LEU 38 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3djc h LEU 38 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3djc h LEU 38 CO 0.02 0.41 -0.41 1.23 0.09 0.00 0.00 178.44 179.77 3djc h GLY 39 N 3.03 0.51 0.97 0.83 0.00 -0.97 -2.36 103.07 105.08 3djc h GLY 39 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 3djc h GLY 39 CO 0.05 0.62 0.22 -2.22 0.00 0.00 0.00 176.54 175.21 3djc h ILE 40 N 0.05 1.19 -0.15 2.60 1.08 -1.38 -2.80 117.51 118.10 3djc h ILE 40 Ca -0.02 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 3djc h ILE 40 Cb 1.05 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 3djc h ILE 40 CO 0.09 0.21 0.06 0.15 -0.69 0.00 0.00 178.15 177.97 3djc h PHE 41 N 0.62 0.23 -0.39 1.37 3.57 -1.58 -2.02 116.94 118.75 3djc h PHE 41 Ca 0.16 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3djc h PHE 41 Cb 0.13 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3djc h PHE 41 CO -0.01 0.31 0.19 -0.07 -2.23 0.00 0.00 178.31 176.51 3djc h LEU 42 N 0.09 0.51 -0.50 0.59 3.38 -1.42 0.15 115.31 118.11 3djc h LEU 42 Ca 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3djc h LEU 42 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3djc h LEU 42 CO -0.00 0.49 0.13 0.11 0.09 0.00 0.00 178.44 179.26 3djc h LYS 43 N 0.49 0.80 -0.42 1.13 1.57 -1.54 -2.86 116.57 115.74 3djc h LYS 43 Ca 0.13 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 3djc h LYS 43 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3djc h LYS 43 CO -0.02 0.76 -0.29 1.03 -0.57 0.00 0.00 179.45 180.37 3djc h SER 44 N 0.69 0.95 0.38 0.86 0.87 -1.12 0.01 113.55 116.20 3djc h SER 44 Ca 0.16 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 3djc h SER 44 Cb 0.32 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3djc h SER 44 CO 0.00 1.16 -0.36 1.62 -0.53 0.00 0.00 176.83 178.72 3djc h VAL 45 N 0.77 1.23 0.32 2.23 3.04 -0.68 0.26 116.25 123.42 3djc h VAL 45 Ca 0.09 -1.25 -0.02 0.00 -1.01 0.00 0.00 66.70 64.51 3djc h VAL 45 Cb 0.85 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3djc h VAL 45 CO 0.08 0.35 -0.15 -0.07 -1.01 0.00 0.00 177.57 176.77 3djc h LEU 46 N 0.00 -0.36 -2.07 3.16 3.38 -1.40 -3.30 115.31 114.71 3djc h LEU 46 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3djc h LEU 46 Cb 0.65 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3djc h LEU 46 CO 0.05 0.08 -0.07 -0.09 0.09 0.00 0.00 178.44 178.50 3djc h ARG 47 N -0.93 0.00 -0.57 1.13 2.43 -0.56 -1.10 114.38 114.78 3djc h ARG 47 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3djc h ARG 47 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3djc h ARG 47 CO 0.07 0.07 0.00 0.39 -1.51 0.00 0.00 179.97 178.99 3djc n GLU 48 N -4.04 2.63 -2.31 0.20 -0.58 0.87 -4.20 120.64 113.22 3djc n GLU 48 Ca -0.03 -1.89 -0.01 0.00 -0.42 0.00 0.00 57.16 54.81 3djc n GLU 48 Cb 0.16 -1.59 0.05 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.78 1.75 -2.06 1.62 3.02 -0.46 -5.00 115.26 114.90 3djc n ASN 49 Ca 0.17 -2.26 -0.19 0.00 -0.03 0.00 0.00 54.58 52.27 3djc n ASN 49 Cb 0.57 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.34 -5.20 -3.89 6.41 5.03 -1.23 -4.97 115.26 111.07 3djc n ASN 50 Ca 0.11 0.21 -0.30 0.00 0.87 0.00 0.00 54.58 55.47 3djc n ASN 50 Cb 0.90 -4.46 -0.16 0.00 -1.02 0.00 0.00 39.78 35.05 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 1.51 6.85 0.39 0.00 0.15 -1.26 -2.50 113.70 118.84 3djc s SER 52 Ca -0.04 2.33 0.14 0.00 0.70 0.00 0.00 55.95 59.08 3djc s SER 52 Cb -0.18 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.53 3djc s SER 52 CO -0.07 -0.62 1.83 -0.65 1.20 0.00 0.00 173.24 174.94 3djc h PRO 53 N 6.46 0.49 0.00 5.44 0.11 -1.89 -2.08 132.00 140.52 3djc h PRO 53 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3djc h PRO 53 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3djc h PRO 53 CO 0.84 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 178.11 3djc n GLU 54 N -4.58 0.17 0.24 1.05 0.00 -1.26 -2.54 120.64 113.71 3djc n GLU 54 Ca 0.21 0.30 0.15 0.00 0.00 0.00 0.00 57.16 57.81 3djc n GLU 54 Cb 0.67 -1.76 0.47 0.00 0.00 0.00 0.00 31.44 30.82 3djc n GLU 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3djc h THR 55 N 0.00 0.00 -3.02 3.84 2.02 -1.76 -3.43 112.91 110.55 3djc h THR 55 Ca 0.00 -0.66 -0.57 0.00 0.77 0.00 0.00 66.41 65.95 3djc h THR 55 Cb 0.47 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3djc h THR 55 CO 0.00 0.00 1.02 -0.63 0.37 0.00 0.00 175.52 176.28 3djc s ILE 56 N -3.45 4.00 -0.31 3.11 -1.09 -1.05 -3.99 121.20 118.42 3djc s ILE 56 Ca 0.04 1.13 0.16 0.00 -2.23 0.00 0.00 60.65 59.74 3djc s ILE 56 Cb 0.08 -4.01 -0.21 0.00 -1.58 0.00 0.00 42.46 36.73 3djc s ILE 56 CO 0.58 -0.42 0.47 0.54 -1.23 0.00 0.00 174.94 174.89 3djc n ARG 57 N 7.42 1.08 -4.04 2.79 3.00 -0.02 -4.98 116.66 121.92 3djc n ARG 57 Ca 0.16 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.85 57.80 3djc n ARG 57 Cb 0.46 -1.31 -0.11 0.00 0.00 0.00 0.00 32.46 31.50 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 -2.83 0.46 -0.04 5.56 1.02 -0.85 -5.00 119.74 118.05 3djc s LYS 58 Ca -0.01 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3djc s LYS 58 Cb 0.11 -0.12 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 3djc s LYS 58 CO 0.65 0.01 -0.09 0.42 -0.92 0.00 0.00 175.35 175.42 3djc s ILE 59 N -1.58 0.81 -0.02 2.17 1.01 -1.26 -0.82 121.20 121.50 3djc s ILE 59 Ca -0.11 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.29 3djc s ILE 59 Cb -0.09 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 3djc s ILE 59 CO -0.01 0.27 -0.22 0.00 0.00 0.00 0.00 174.94 174.99 3djc s ALA 60 N 0.54 1.83 -0.21 9.38 0.00 0.84 -1.15 121.76 132.99 3djc s ALA 60 Ca -0.09 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3djc s ALA 60 Cb -0.12 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.56 3djc s ALA 60 CO 0.01 0.44 -0.11 0.42 0.00 0.00 0.00 175.76 176.52 3djc s ILE 61 N -0.46 1.76 -0.24 0.00 1.01 0.27 -0.70 121.20 122.84 3djc s ILE 61 Ca 0.07 -1.12 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 3djc s ILE 61 Cb -0.09 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 3djc s ILE 61 CO -0.00 0.15 0.02 0.00 0.00 0.00 0.00 174.94 175.10 3djc s SER 63 N 1.54 2.30 0.00 0.00 1.04 -1.26 0.12 113.70 117.44 3djc s SER 63 Ca 0.06 -1.27 0.17 0.00 0.48 0.00 0.00 55.95 55.39 3djc s SER 63 Cb -0.15 0.14 0.36 0.00 0.10 0.00 0.00 66.02 66.47 3djc s SER 63 CO 0.00 -0.37 1.27 1.33 0.98 0.00 0.00 173.24 176.46 3djc n VAL 64 N 4.91 0.66 -3.65 5.02 0.24 -0.88 -4.79 118.33 119.84 3djc n VAL 64 Ca 0.01 -0.83 -0.29 0.00 -2.04 0.00 0.00 64.34 61.20 3djc n VAL 64 Cb 0.43 0.79 -0.16 0.00 -1.47 0.00 0.00 33.84 33.44 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3djc s VAL 65 N -1.14 0.34 0.10 3.34 1.01 -1.25 -4.95 120.40 117.85 3djc s VAL 65 Ca 0.30 -0.83 0.19 0.00 0.00 0.00 0.00 61.98 61.64 3djc s VAL 65 Cb 0.17 -1.15 0.13 0.00 0.00 0.00 0.00 36.38 35.54 3djc s VAL 65 CO 0.23 -0.54 1.69 -0.65 0.00 0.00 0.00 175.10 175.83 3djc h PRO 66 N 8.28 0.00 0.00 2.72 0.11 -1.96 -1.56 132.00 139.59 3djc h PRO 66 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3djc h PRO 66 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3djc h PRO 66 CO 0.41 0.38 -0.03 1.96 -0.21 0.00 0.00 178.00 180.51 3djc h GLN 67 N 0.00 0.00 0.00 1.05 4.20 -2.00 -2.27 115.11 116.09 3djc h GLN 67 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3djc h GLN 67 Cb 0.98 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3djc h GLN 67 CO 0.05 0.03 -1.27 0.28 -0.67 0.00 0.00 178.83 177.25 3djc h VAL 68 N 0.00 0.96 -0.91 -0.54 2.07 -1.61 -3.42 116.25 112.81 3djc h VAL 68 Ca -0.00 -2.61 0.08 0.00 0.82 0.00 0.00 66.70 64.99 3djc h VAL 68 Cb 0.24 2.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 3djc h VAL 68 CO 0.00 0.55 0.56 0.44 0.02 0.00 0.00 177.57 179.14 3djc h ASP 69 N 0.00 0.86 -0.20 0.57 5.19 -1.35 -3.01 116.42 118.49 3djc h ASP 69 Ca -0.14 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 3djc h ASP 69 Cb 1.74 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 41.09 3djc h ASP 69 CO 0.08 0.52 -0.02 0.22 -3.12 0.00 0.00 179.24 176.92 3djc h TYR 70 N 0.98 0.40 -0.03 4.55 3.20 -1.81 -2.99 116.97 121.27 3djc h TYR 70 Ca 0.42 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 62.06 3djc h TYR 70 Cb 0.27 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3djc h TYR 70 CO -0.03 0.58 -0.65 0.77 -1.64 0.00 0.00 178.16 177.19 3djc h SER 71 N 0.11 0.14 -0.32 -2.11 0.02 -1.85 -2.68 113.55 106.86 3djc h SER 71 Ca 0.05 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 3djc h SER 71 Cb 0.44 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3djc h SER 71 CO 0.01 0.76 -0.42 0.25 -1.14 0.00 0.00 176.83 176.29 3djc h LEU 72 N 0.09 0.92 -0.70 5.07 5.85 -1.54 0.66 115.31 125.66 3djc h LEU 72 Ca -0.01 -0.50 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 3djc h LEU 72 Cb 1.17 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3djc h LEU 72 CO 0.09 1.23 -0.18 -0.09 -0.34 0.00 0.00 178.44 179.16 3djc h ARG 73 N 0.63 0.82 -0.05 1.25 2.43 -1.56 -2.98 114.38 114.91 3djc h ARG 73 Ca 0.04 -0.31 -0.15 0.00 -0.81 0.00 0.00 59.98 58.75 3djc h ARG 73 Cb 1.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3djc h ARG 73 CO 0.10 0.94 -0.63 1.03 -1.51 0.00 0.00 179.97 179.89 3djc h SER 74 N 0.72 0.23 -0.30 -3.80 0.87 -1.35 -3.02 113.55 106.90 3djc h SER 74 Ca 0.11 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3djc h SER 74 Cb 0.69 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3djc h SER 74 CO 0.05 0.80 0.15 0.00 -0.53 0.00 0.00 176.83 177.30 3djc h ALA 75 N 1.20 0.37 -0.59 6.23 0.00 -0.78 -3.03 119.26 122.65 3djc h ALA 75 Ca -0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3djc h ALA 75 Cb 1.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3djc h ALA 75 CO 0.10 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.17 3djc h VAL 77 N 0.91 1.30 0.19 0.00 -1.51 -1.51 -0.30 116.25 115.33 3djc h VAL 77 Ca 0.17 -1.77 -0.29 0.00 -1.23 0.00 0.00 66.70 63.58 3djc h VAL 77 Cb 0.48 1.97 0.02 0.00 -2.13 0.00 0.00 31.29 31.63 3djc h VAL 77 CO 0.02 0.50 -1.34 0.50 -1.23 0.00 0.00 177.57 176.01 3djc h LYS 78 N 0.00 0.41 0.00 5.19 3.64 -1.38 -3.14 116.57 121.29 3djc h LYS 78 Ca -0.01 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 3djc h LYS 78 Cb 0.93 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3djc h LYS 78 CO 0.07 1.33 -1.10 0.66 -2.27 0.00 0.00 179.45 178.14 3djc n TYR 79 N -3.84 0.00 0.00 1.91 4.01 -0.33 -4.57 117.16 114.34 3djc n TYR 79 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3djc n TYR 79 Cb 0.99 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 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 -1.61 0.00 -1.65 -0.72 3.01 -0.23 -5.02 117.46 111.24 3djc n PHE 80 Ca 0.01 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.27 3djc n PHE 80 Cb 0.32 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.33 -5.46 -4.35 4.37 7.64 -0.56 -4.97 113.62 109.96 3djc n SER 81 Ca 0.00 0.46 -0.36 0.00 1.01 0.00 0.00 58.87 59.98 3djc n SER 81 Cb 0.00 -4.72 -0.13 0.00 -1.01 0.00 0.00 64.21 58.35 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 -2.77 3.79 -0.39 0.44 1.01 -1.13 -4.91 121.20 117.24 3djc s ILE 82 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 3djc s ILE 82 Cb 0.00 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.63 3djc s ILE 82 CO 0.00 0.24 1.34 -0.62 0.00 0.00 0.00 174.94 175.90 3djc s ASP 83 N 1.51 6.48 0.57 3.58 3.68 -1.26 -3.26 116.67 127.96 3djc s ASP 83 Ca 0.04 0.87 -0.16 0.00 2.13 0.00 0.00 52.55 55.43 3djc s ASP 83 Cb -0.16 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.72 3djc s ASP 83 CO 0.01 -1.31 1.04 -2.16 0.13 0.00 0.00 175.17 172.88 3djc s PRO 84 N 4.65 3.51 0.22 4.34 0.04 -1.26 -4.90 135.00 141.58 3djc s PRO 84 Ca 0.58 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 3djc s PRO 84 Cb -0.13 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3djc s PRO 84 CO 0.30 -0.65 1.19 0.12 0.04 0.00 0.00 177.00 178.00 3djc s PHE 85 N -2.46 3.42 -0.15 0.56 5.36 -0.30 -4.93 117.98 119.48 3djc s PHE 85 Ca 0.63 1.47 -0.01 0.00 -0.96 0.00 0.00 56.93 58.06 3djc s PHE 85 Cb -0.15 -3.43 -0.01 0.00 -0.34 0.00 0.00 43.02 39.09 3djc s PHE 85 CO 0.34 -1.15 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.32 3djc s LEU 86 N -0.59 2.75 -0.92 6.12 2.01 -1.26 -0.57 118.68 126.21 3djc s LEU 86 Ca 0.51 -0.34 -0.20 0.00 0.01 0.00 0.00 54.13 54.11 3djc s LEU 86 Cb -0.33 -1.63 0.10 0.00 0.01 0.00 0.00 46.19 44.34 3djc s LEU 86 CO 0.39 0.13 1.20 -0.22 1.01 0.00 0.00 176.35 178.86 3djc s LEU 87 N 0.54 4.56 0.00 1.79 2.96 -0.60 -4.92 118.68 123.01 3djc s LEU 87 Ca -0.08 -1.77 0.00 0.00 -0.22 0.00 0.00 54.13 52.06 3djc s LEU 87 Cb -0.15 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.09 3djc s LEU 87 CO 0.04 -1.23 0.00 0.00 -1.32 0.00 0.00 176.35 173.84 3djc n GLN 88 N 7.30 3.15 -4.27 1.98 6.02 -1.26 -4.69 117.38 125.60 3djc n GLN 88 Ca 0.23 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.88 3djc n GLN 88 Cb 0.49 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.67 3djc n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3djc s ALA 89 N -2.00 3.38 0.00 -1.58 0.00 -1.26 -4.48 121.76 115.82 3djc s ALA 89 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3djc s ALA 89 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3djc s ALA 89 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.79 3djc n GLY 90 N 1.78 0.65 3.89 0.00 0.00 -1.26 -5.07 105.19 105.18 3djc n GLY 90 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.28 3.71 -0.06 1.61 -7.23 -1.26 -5.03 120.40 109.87 3djc s VAL 91 Ca 0.00 0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 3djc s VAL 91 Cb 0.00 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.38 3djc s VAL 91 CO 0.00 -0.65 1.22 -0.75 -0.31 0.00 0.00 175.10 174.61 3djc s LYS 92 N -5.22 4.34 0.00 4.82 2.20 -1.26 -4.87 119.74 119.74 3djc s LYS 92 Ca 0.56 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 3djc s LYS 92 Cb -0.11 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3djc s LYS 92 CO 0.50 -0.47 0.00 0.25 -0.36 0.00 0.00 175.35 175.27 3djc n THR 93 N 4.66 0.00 -0.72 3.43 -2.24 -1.26 -4.84 114.28 113.31 3djc n THR 93 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3djc n THR 93 Cb 0.46 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.69 1.02 3.68 3.38 0.00 -1.26 -4.85 105.19 109.86 3djc n GLY 94 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3djc n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3djc s LEU 95 N 0.00 3.47 -0.53 0.99 1.43 -1.26 -4.90 118.68 117.87 3djc s LEU 95 Ca 0.00 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3djc s LEU 95 Cb 0.00 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.16 3djc s LEU 95 CO 0.00 0.19 0.55 0.20 0.23 0.00 0.00 176.35 177.52 3djc s ASN 96 N -2.17 6.18 -0.23 2.29 0.01 0.24 -4.93 114.94 116.34 3djc s ASN 96 Ca 0.25 -1.46 -0.29 0.00 -0.71 0.00 0.00 52.86 50.64 3djc s ASN 96 Cb -0.12 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.31 3djc s ASN 96 CO 0.17 -0.88 1.07 -0.63 -1.51 0.00 0.00 177.10 175.31 3djc s ILE 97 N 2.05 4.62 -0.38 0.60 1.01 -1.26 -0.06 121.20 127.79 3djc s ILE 97 Ca 0.07 1.96 0.09 0.00 0.00 0.00 0.00 60.65 62.77 3djc s ILE 97 Cb -0.26 -4.28 0.63 0.00 0.01 0.00 0.00 42.46 38.57 3djc s ILE 97 CO 0.06 -0.19 1.57 0.29 0.00 0.00 0.00 174.94 176.67 3djc n LYS 98 N 6.38 3.62 -2.20 2.79 4.01 0.50 -4.92 118.16 128.34 3djc n LYS 98 Ca 0.12 -2.52 -0.33 0.00 -0.51 0.00 0.00 58.31 55.07 3djc n LYS 98 Cb 0.46 -2.08 -0.01 0.00 -0.51 0.00 0.00 35.03 32.89 3djc n LYS 98 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3djc s TYR 99 N -2.49 3.12 0.02 2.13 1.51 -1.26 -4.91 117.35 115.47 3djc s TYR 99 Ca 0.45 1.51 -0.24 0.00 -1.01 0.00 0.00 57.07 57.78 3djc s TYR 99 Cb 0.35 -2.95 -0.17 0.00 -0.11 0.00 0.00 41.96 39.08 3djc s TYR 99 CO 0.12 -0.87 1.37 0.00 -1.11 0.00 0.00 175.55 175.06 3djc h ARG 100 N 0.69 0.12 -4.41 -0.62 3.08 -1.98 -3.35 114.38 107.92 3djc h ARG 100 Ca -0.47 -0.05 -0.69 0.00 0.07 0.00 0.00 59.98 58.84 3djc h ARG 100 Cb 1.21 -0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.91 3djc h ARG 100 CO 0.59 0.49 -0.54 1.21 -1.07 0.00 0.00 179.97 180.65 3djc s ASN 101 N -5.74 5.24 0.61 7.04 2.47 -1.26 -4.98 114.94 118.33 3djc s ASN 101 Ca -0.15 -2.11 0.41 0.00 0.42 0.00 0.00 52.86 51.43 3djc s ASN 101 Cb 0.04 -1.83 2.16 0.00 -1.45 0.00 0.00 41.25 40.17 3djc s ASN 101 CO 0.70 -0.53 2.24 -0.65 -3.72 0.00 0.00 177.10 175.14 3djc h PRO 102 N 7.95 0.00 -0.02 0.43 0.11 -1.92 -2.14 132.00 136.41 3djc h PRO 102 Ca -0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 3djc h PRO 102 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3djc h PRO 102 CO 0.70 0.00 -0.23 0.28 -0.21 0.00 0.00 178.00 178.54 3djc h VAL 103 N 0.00 1.18 0.00 3.15 2.07 -1.95 -2.96 116.25 117.73 3djc h VAL 103 Ca 0.00 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3djc h VAL 103 Cb 0.06 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3djc h VAL 103 CO 0.00 0.24 -0.03 -0.33 0.02 0.00 0.00 177.57 177.48 3djc h GLU 104 N 0.04 0.00 -6.25 1.57 5.08 -1.82 -3.42 114.58 109.77 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 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3djc h GLU 104 CO 0.03 0.03 0.94 0.08 -1.00 0.00 0.00 179.01 179.09 3djc s VAL 105 N -4.00 3.89 0.66 3.13 1.01 -1.12 -5.00 120.40 118.96 3djc s VAL 105 Ca -0.02 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 3djc s VAL 105 Cb 0.12 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 3djc s VAL 105 CO 0.50 -0.07 1.18 -0.83 0.00 0.00 0.00 175.10 175.87 3djc s GLY 106 N 2.39 2.44 0.48 4.51 0.00 -1.26 -4.94 107.32 110.94 3djc s GLY 106 Ca 0.63 0.83 0.25 0.00 0.00 0.00 0.00 44.72 46.44 3djc s GLY 106 CO 0.23 1.22 1.96 0.00 0.00 0.00 0.00 173.10 176.51 3djc h ALA 107 N 0.26 1.18 0.00 3.20 0.00 -1.86 -2.90 119.26 119.15 3djc h ALA 107 Ca -0.48 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 3djc h ALA 107 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3djc h ALA 107 CO 0.53 0.23 -0.27 0.38 0.00 0.00 0.00 179.25 180.12 3djc h ASP 108 N 0.00 0.00 0.52 0.00 2.03 -1.93 -0.55 116.42 116.49 3djc h ASP 108 Ca -0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.00 3djc h ASP 108 Cb 0.52 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3djc h ASP 108 CO 0.02 0.27 -1.42 0.03 -1.03 0.00 0.00 179.24 177.11 3djc h ARG 109 N 0.00 0.25 -0.24 4.15 2.47 -1.90 -1.99 114.38 117.11 3djc h ARG 109 Ca -0.00 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.25 3djc h ARG 109 Cb 1.04 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 3djc h ARG 109 CO 0.03 1.15 0.02 0.82 0.56 0.00 0.00 179.97 182.55 3djc h ILE 110 N 0.07 1.25 -0.76 2.04 2.04 -1.49 0.06 117.51 120.71 3djc h ILE 110 Ca -0.20 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 3djc h ILE 110 Cb 2.00 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 3djc h ILE 110 CO 0.18 0.27 0.35 0.00 0.00 0.00 0.00 178.15 178.94 3djc h ALA 111 N 0.83 0.99 -0.62 1.87 0.00 -1.18 0.74 119.26 121.89 3djc h ALA 111 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3djc h ALA 111 Cb 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3djc h ALA 111 CO 0.01 0.57 0.25 -0.91 0.00 0.00 0.00 179.25 179.17 3djc h ASN 112 N 1.09 0.82 1.17 0.00 4.21 -1.30 -2.31 115.58 119.26 3djc h ASN 112 Ca 0.26 -0.11 -0.12 0.00 1.21 0.00 0.00 56.30 57.55 3djc h ASN 112 Cb 0.15 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 3djc h ASN 112 CO -0.03 0.73 -0.55 0.00 -1.29 0.00 0.00 177.43 176.29 3djc h ALA 113 N 1.39 0.73 -0.08 -0.83 0.00 -0.37 -1.66 119.26 118.45 3djc h ALA 113 Ca 0.21 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3djc h ALA 113 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3djc h ALA 113 CO -0.02 0.69 -0.08 0.82 0.00 0.00 0.00 179.25 180.66 3djc h ILE 114 N 0.00 1.37 0.00 0.00 2.04 -0.73 -2.96 117.51 117.23 3djc h ILE 114 Ca -0.01 -1.25 -0.12 0.00 1.00 0.00 0.00 64.86 64.49 3djc h ILE 114 Cb 1.29 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 3djc h ILE 114 CO 0.07 0.35 -0.57 0.00 0.00 0.00 0.00 178.15 178.00 3djc h ALA 115 N 0.56 1.03 -0.14 1.87 0.00 -1.44 -2.47 119.26 118.67 3djc h ALA 115 Ca 0.01 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 3djc h ALA 115 Cb 0.60 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3djc h ALA 115 CO 0.02 0.71 -0.80 0.00 0.00 0.00 0.00 179.25 179.18 3djc h ALA 116 N 1.43 0.30 -0.00 0.00 0.00 -1.37 -1.79 119.26 117.83 3djc h ALA 116 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3djc h ALA 116 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3djc h ALA 116 CO 0.07 0.69 -0.05 0.25 0.00 0.00 0.00 179.25 180.21 3djc n THR 117 N -3.92 0.00 -0.08 0.00 -2.24 -1.12 -1.22 114.28 105.69 3djc n THR 117 Ca -0.08 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 3djc n THR 117 Cb 0.76 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 3djc n THR 117 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3djc n HIS 118 N -1.30 0.57 -0.09 4.78 -0.00 -0.93 -3.29 115.22 114.96 3djc n HIS 118 Ca 0.12 0.16 -0.12 0.00 -0.00 0.00 0.00 57.72 57.87 3djc n HIS 118 Cb 0.28 -1.07 -0.05 0.00 -0.00 0.00 0.00 29.99 29.16 3djc n HIS 118 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3djc h SER 119 N -0.31 0.57 -2.42 0.26 0.02 -1.35 -3.37 113.55 106.94 3djc h SER 119 Ca -0.52 -0.42 -0.60 0.00 -0.84 0.00 0.00 61.79 59.41 3djc h SER 119 Cb 1.80 -0.16 -0.41 0.00 0.14 0.00 0.00 62.40 63.77 3djc h SER 119 CO -0.11 0.87 -0.73 0.49 -1.14 0.00 0.00 176.83 176.21 3djc n PHE 120 N -4.45 2.22 -0.14 3.45 3.72 -0.36 -5.03 117.46 116.87 3djc n PHE 120 Ca -0.04 -3.98 -0.14 0.00 -0.05 0.00 0.00 57.45 53.24 3djc n PHE 120 Cb 0.37 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 38.38 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 4.66 -0.38 -0.50 -1.08 0.11 -1.73 -3.31 132.00 129.77 3djc h PRO 121 Ca 0.17 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3djc h PRO 121 Cb 0.76 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3djc h PRO 121 CO 0.68 -0.25 0.00 0.09 -0.21 0.00 0.00 178.00 178.30 3djc n ASN 122 N -5.38 2.83 -4.63 -2.05 5.03 -1.26 -4.86 115.26 104.94 3djc n ASN 122 Ca -0.03 -1.98 -0.30 0.00 0.87 0.00 0.00 54.58 53.13 3djc n ASN 122 Cb 0.34 -0.34 -0.09 0.00 -1.02 0.00 0.00 39.78 38.68 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 -1.33 2.39 0.24 3.52 -0.21 -1.25 -4.78 119.66 118.25 3djc s GLN 123 Ca 0.36 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 3djc s GLN 123 Cb 0.19 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 31.65 3djc s GLN 123 CO 0.25 0.54 1.48 -0.80 -2.12 0.00 0.00 175.29 174.64 3djc s ASN 124 N -2.12 6.60 -0.02 5.90 0.01 -1.26 -3.90 114.94 120.15 3djc s ASN 124 Ca 0.23 2.70 0.05 0.00 -0.71 0.00 0.00 52.86 55.12 3djc s ASN 124 Cb -0.11 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 3djc s ASN 124 CO 0.15 -0.75 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.19 3djc s ILE 125 N 0.19 1.31 -0.39 0.60 1.01 0.19 -1.37 121.20 122.76 3djc s ILE 125 Ca 0.62 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3djc s ILE 125 Cb -0.43 -1.11 0.07 0.00 0.01 0.00 0.00 42.46 41.00 3djc s ILE 125 CO 0.42 0.38 0.19 -0.63 0.00 0.00 0.00 174.94 175.29 3djc s ILE 126 N -0.23 3.87 -0.06 2.92 1.01 -0.53 -0.14 121.20 128.05 3djc s ILE 126 Ca 0.03 -1.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.06 3djc s ILE 126 Cb -0.08 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3djc s ILE 126 CO 0.00 -0.42 0.54 0.54 0.00 0.00 0.00 174.94 175.60 3djc s VAL 127 N 1.36 5.06 -0.12 2.92 0.11 -0.56 -2.24 120.40 126.93 3djc s VAL 127 Ca 0.02 1.10 0.01 0.00 -2.93 0.00 0.00 61.98 60.18 3djc s VAL 127 Cb -0.22 -3.87 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 3djc s VAL 127 CO 0.01 0.37 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.37 3djc s ILE 128 N 0.19 2.88 -0.56 7.04 1.01 0.74 -0.08 121.20 132.42 3djc s ILE 128 Ca 0.29 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3djc s ILE 128 Cb -0.17 -2.18 0.14 0.00 0.01 0.00 0.00 42.46 40.26 3djc s ILE 128 CO 0.14 0.54 0.34 -0.62 0.00 0.00 0.00 174.94 175.33 3djc s ASP 129 N 0.25 4.76 -0.58 3.58 3.68 -0.60 -0.64 116.67 127.12 3djc s ASP 129 Ca -0.10 -2.92 -0.24 0.00 2.13 0.00 0.00 52.55 51.42 3djc s ASP 129 Cb -0.16 -1.74 -0.21 0.00 -1.45 0.00 0.00 42.92 39.36 3djc s ASP 129 CO 0.06 -0.30 1.84 0.49 0.13 0.00 0.00 175.17 177.39 3djc n PHE 130 N 3.31 1.41 -0.20 -5.34 3.01 0.18 -2.77 117.46 117.06 3djc n PHE 130 Ca 0.06 -1.46 0.00 0.00 1.01 0.00 0.00 57.45 57.06 3djc n PHE 130 Cb 0.35 -1.49 0.00 0.00 -0.01 0.00 0.00 39.48 38.33 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 4.68 5.21 0.47 1.37 0.00 -1.26 -1.56 105.19 114.10 3djc n GLY 131 Ca 0.49 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -2.58 2.61 2.02 -1.98 -3.39 112.91 109.59 3djc h THR 132 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.66 3djc h THR 132 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3djc h THR 132 CO 0.00 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.49 3djc s ALA 133 N -5.71 3.90 -0.44 6.16 0.00 -1.26 -1.78 121.76 122.62 3djc s ALA 133 Ca -0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 3djc s ALA 133 Cb 0.07 -1.86 0.07 0.00 0.00 0.00 0.00 23.12 21.40 3djc s ALA 133 CO 0.61 0.39 0.33 0.99 0.00 0.00 0.00 175.76 178.08 3djc s THR 134 N -1.88 4.84 0.08 0.00 2.01 -0.14 -4.59 115.64 115.95 3djc s THR 134 Ca 0.36 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3djc s THR 134 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3djc s THR 134 CO 0.29 -0.51 0.18 0.42 -0.69 0.00 0.00 174.62 174.31 3djc s THR 135 N 1.56 5.14 -0.20 -0.82 -4.23 -1.11 -0.02 115.64 115.96 3djc s THR 135 Ca 0.04 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3djc s THR 135 Cb -0.23 -3.52 0.05 0.00 1.34 0.00 0.00 72.50 70.14 3djc s THR 135 CO 0.05 0.11 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.83 3djc s PHE 136 N -1.51 2.05 -0.01 3.99 0.40 0.17 -1.55 117.98 121.53 3djc s PHE 136 Ca 0.33 -1.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.26 3djc s PHE 136 Cb -0.13 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 3djc s PHE 136 CO 0.26 -0.70 0.01 0.00 0.70 0.00 0.00 175.22 175.49 3djc s ALA 138 N -1.09 2.92 -0.19 0.00 0.00 0.94 -1.50 121.76 122.84 3djc s ALA 138 Ca 0.20 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3djc s ALA 138 Cb -0.12 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.13 3djc s ALA 138 CO 0.10 -0.68 -0.17 0.42 0.00 0.00 0.00 175.76 175.44 3djc s ILE 139 N 1.47 1.98 0.70 0.00 1.01 0.81 -1.17 121.20 126.00 3djc s ILE 139 Ca 0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3djc s ILE 139 Cb -0.16 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.44 3djc s ILE 139 CO -0.01 0.38 1.07 -0.94 0.00 0.00 0.00 174.94 175.45 3djc s SER 140 N 1.29 5.18 0.52 3.58 1.04 -0.74 0.57 113.70 125.14 3djc s SER 140 Ca 0.02 1.73 0.16 0.00 0.48 0.00 0.00 55.95 58.34 3djc s SER 140 Cb -0.15 -2.51 1.28 0.00 0.10 0.00 0.00 66.02 64.74 3djc s SER 140 CO -0.11 -1.58 2.15 1.12 0.98 0.00 0.00 173.24 175.80 3djc h HIS 141 N -0.60 0.00 -0.10 5.02 2.07 -1.87 -1.99 115.15 117.69 3djc h HIS 141 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 3djc h HIS 141 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3djc h HIS 141 CO 0.60 0.01 0.00 1.63 -3.07 0.00 0.00 177.93 177.10 3djc n LYS 142 N -4.50 1.26 -2.01 5.12 5.02 -1.26 -4.60 118.16 117.19 3djc n LYS 142 Ca -0.03 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 3djc n LYS 142 Cb 0.10 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.18 0.00 -3.49 1.97 5.02 -0.75 -4.89 118.16 115.84 3djc n LYS 143 Ca 0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 3djc n LYS 143 Cb 0.11 -2.73 -0.10 0.00 -0.02 0.00 0.00 35.03 32.29 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 -2.42 3.55 -0.69 7.82 0.00 -1.23 -0.59 121.76 128.21 3djc s ALA 144 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.74 3djc s ALA 144 Cb 0.00 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.56 3djc s ALA 144 CO 0.00 -0.61 1.17 -0.47 0.00 0.00 0.00 175.76 175.85 3djc s TYR 145 N 1.91 2.45 0.12 0.00 5.04 0.92 -1.79 117.35 126.01 3djc s TYR 145 Ca 0.11 -0.10 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 3djc s TYR 145 Cb -0.16 -4.49 -0.13 0.00 0.35 0.00 0.00 41.96 37.53 3djc s TYR 145 CO 0.10 -1.86 1.28 -0.07 -1.34 0.00 0.00 175.55 173.66 3djc h LEU 146 N 12.33 0.52 0.00 6.97 3.38 -1.40 0.14 115.31 137.25 3djc h LEU 146 Ca -0.28 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3djc h LEU 146 Cb 1.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3djc h LEU 146 CO 1.23 1.25 0.00 0.61 0.09 0.00 0.00 178.44 181.62 3djc n GLY 147 N 1.05 0.52 0.00 0.83 0.00 -1.24 -4.62 105.19 101.72 3djc n GLY 147 Ca -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.22 3.26 -0.02 0.00 -1.26 -0.04 105.19 106.91 3djc n GLY 148 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 3djc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc s ALA 149 N -1.00 1.57 -0.03 4.61 0.00 0.08 -4.98 121.76 122.02 3djc s ALA 149 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.58 3djc s ALA 149 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3djc s ALA 149 CO 0.00 0.06 -0.02 -1.50 0.00 0.00 0.00 175.76 174.31 3djc s ILE 150 N -2.48 0.27 0.32 0.00 2.07 -1.26 0.46 121.20 120.58 3djc s ILE 150 Ca 0.12 -0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.46 3djc s ILE 150 Cb -0.03 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.19 3djc s ILE 150 CO 0.03 0.15 -0.02 -0.76 -1.91 0.00 0.00 174.94 172.43 3djc s LEU 151 N 0.77 2.96 0.57 8.50 1.43 0.97 -4.97 118.68 128.92 3djc s LEU 151 Ca -0.08 -0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 51.89 3djc s LEU 151 Cb -0.11 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3djc s LEU 151 CO -0.01 -0.16 1.16 -2.16 0.23 0.00 0.00 176.35 175.41 3djc s PRO 152 N -3.68 3.17 1.00 1.29 0.04 -1.26 -0.97 135.00 134.59 3djc s PRO 152 Ca 0.33 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 3djc s PRO 152 Cb -0.02 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.79 3djc s PRO 152 CO 0.19 -1.01 0.99 0.41 0.04 0.00 0.00 177.00 177.61 3djc n GLY 153 N 0.26 -2.40 0.11 0.56 0.00 -0.74 -4.15 105.19 98.83 3djc n GLY 153 Ca 0.12 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 3djc n GLY 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3djc h LEU 154 N 0.00 0.44 -0.18 0.99 3.38 -1.84 -0.34 115.31 117.77 3djc h LEU 154 Ca -0.36 -0.47 -0.20 0.00 0.09 0.00 0.00 57.88 56.95 3djc h LEU 154 Cb 1.06 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.68 3djc h LEU 154 CO 0.24 1.36 -0.67 -0.09 0.09 0.00 0.00 178.44 179.37 3djc h ARG 155 N 0.08 0.76 -0.67 1.13 9.65 -1.90 -2.14 114.38 121.29 3djc h ARG 155 Ca -0.13 -0.58 -0.03 0.00 -1.10 0.00 0.00 59.98 58.14 3djc h ARG 155 Cb 1.95 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 30.61 3djc h ARG 155 CO 0.20 1.20 0.31 1.25 2.80 0.00 0.00 179.97 185.73 3djc h LEU 156 N 0.48 0.87 -0.26 3.80 5.85 -1.81 0.48 115.31 124.73 3djc h LEU 156 Ca -0.03 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3djc h LEU 156 Cb 1.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3djc h LEU 156 CO 0.14 0.75 0.02 0.28 -0.34 0.00 0.00 178.44 179.29 3djc h SER 157 N 0.95 0.42 -0.04 1.25 0.02 -1.06 -2.42 113.55 112.67 3djc h SER 157 Ca 0.23 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 3djc h SER 157 Cb 0.12 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3djc h SER 157 CO -0.03 0.60 -0.44 0.00 -1.14 0.00 0.00 176.83 175.82 3djc h ALA 158 N 0.84 0.80 -0.41 3.77 0.00 -0.84 -2.72 119.26 120.71 3djc h ALA 158 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3djc h ALA 158 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3djc h ALA 158 CO 0.01 0.66 -0.10 -0.44 0.00 0.00 0.00 179.25 179.37 3djc h ASP 159 N 0.47 0.80 0.50 0.00 3.45 -0.10 -3.16 116.42 118.37 3djc h ASP 159 Ca 0.03 -0.36 -0.07 0.00 0.43 0.00 0.00 57.03 57.06 3djc h ASP 159 Cb 0.95 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 3djc h ASP 159 CO 0.09 0.98 -0.34 0.00 -1.57 0.00 0.00 179.24 178.39 3djc h ALA 160 N 0.85 1.25 -0.32 3.45 0.00 -1.36 0.18 119.26 123.30 3djc h ALA 160 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3djc h ALA 160 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3djc h ALA 160 CO 0.04 0.43 -0.24 -0.07 0.00 0.00 0.00 179.25 179.41 3djc h LEU 161 N 0.00 0.63 0.00 0.00 3.38 -1.47 -2.88 115.31 114.97 3djc h LEU 161 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3djc h LEU 161 Cb 0.69 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3djc h LEU 161 CO 0.04 0.86 -0.97 -1.54 0.09 0.00 0.00 178.44 176.93 3djc n SER 162 N -4.11 0.74 0.08 -0.43 3.41 -0.88 -3.70 113.62 108.72 3djc n SER 162 Ca -0.00 0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 3djc n SER 162 Cb 0.42 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 3djc n SER 162 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3djc h LYS 163 N 0.00 0.00 -0.03 4.33 1.57 -1.01 -3.37 116.57 118.06 3djc h LYS 163 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3djc h LYS 163 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3djc h LYS 163 CO 0.00 0.18 -0.37 0.09 -0.57 0.00 0.00 179.45 178.78 3djc n ASN 164 N -2.84 1.91 -3.84 0.86 3.02 -1.09 -4.99 115.26 108.29 3djc n ASN 164 Ca -0.04 -3.73 -0.12 0.00 -0.03 0.00 0.00 54.58 50.66 3djc n ASN 164 Cb 0.70 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 3djc n ASN 164 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 165 N -3.16 0.03 0.22 3.41 2.01 -1.24 -5.02 115.64 111.88 3djc s THR 165 Ca 0.37 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 3djc s THR 165 Cb 0.35 -0.29 0.04 0.00 0.01 0.00 0.00 72.50 72.61 3djc s THR 165 CO -0.04 -0.12 1.63 0.00 -0.69 0.00 0.00 174.62 175.40 3djc h ALA 166 N 5.38 0.89 0.00 7.40 0.00 -1.91 -3.39 119.26 127.63 3djc h ALA 166 Ca -0.27 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.04 3djc h ALA 166 Cb 1.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3djc h ALA 166 CO 0.41 0.63 -1.85 1.63 0.00 0.00 0.00 179.25 180.06 3djc n LYS 167 N -4.11 1.64 -1.88 0.00 5.02 -1.26 -4.99 118.16 112.58 3djc n LYS 167 Ca 0.00 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3djc n LYS 167 Cb 0.43 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3djc n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3djc s LEU 168 N -5.13 4.37 0.74 -0.35 1.43 -1.26 -5.00 118.68 113.47 3djc s LEU 168 Ca -0.09 2.52 -0.08 0.00 -1.03 0.00 0.00 54.13 55.45 3djc s LEU 168 Cb 0.04 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.78 3djc s LEU 168 CO 0.47 -0.93 1.05 -2.16 0.23 0.00 0.00 176.35 175.02 3djc s PRO 169 N 2.99 2.03 -0.09 1.29 0.04 -1.26 -4.31 135.00 135.68 3djc s PRO 169 Ca 0.76 -0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.31 3djc s PRO 169 Cb -0.40 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3djc s PRO 169 CO 0.34 -1.38 0.64 -1.54 0.04 0.00 0.00 177.00 175.10 3djc s SER 170 N -4.56 6.89 0.31 6.66 1.04 -1.26 -4.41 113.70 118.36 3djc s SER 170 Ca 0.62 1.07 0.09 0.00 0.48 0.00 0.00 55.95 58.20 3djc s SER 170 Cb -0.10 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 3djc s SER 170 CO 0.46 -0.11 0.06 0.54 0.98 0.00 0.00 173.24 175.17 3djc s VAL 171 N 0.88 3.19 -0.10 5.02 0.11 -1.26 -5.13 120.40 123.10 3djc s VAL 171 Ca 0.34 -1.82 -0.04 0.00 -2.93 0.00 0.00 61.98 57.52 3djc s VAL 171 Cb -0.17 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 3djc s VAL 171 CO 0.15 -0.27 0.06 -1.61 -3.33 0.00 0.00 175.10 170.10 3djc s GLU 172 N -3.75 3.19 -0.82 1.54 2.02 -1.26 -4.97 118.70 114.65 3djc s GLU 172 Ca 0.34 -0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.80 3djc s GLU 172 Cb -0.04 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.27 3djc s GLU 172 CO 0.21 0.74 1.29 0.42 0.02 0.00 0.00 175.26 177.94 3djc s ILE 173 N -0.96 3.89 0.25 -1.63 -1.09 -1.26 -4.93 121.20 115.47 3djc s ILE 173 Ca 0.14 -0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.55 3djc s ILE 173 Cb -0.12 -4.93 -0.05 0.00 -1.58 0.00 0.00 42.46 35.78 3djc s ILE 173 CO 0.03 -1.83 -0.17 0.27 -1.23 0.00 0.00 174.94 172.02 3djc s ILE 174 N 5.20 2.12 -0.63 2.92 -0.00 -1.26 -5.09 121.20 124.45 3djc s ILE 174 Ca 0.37 -2.31 -0.27 0.00 -0.00 0.00 0.00 60.65 58.44 3djc s ILE 174 Cb -0.06 -2.19 -0.01 0.00 -0.00 0.00 0.00 42.46 40.20 3djc s ILE 174 CO 0.06 -0.48 1.68 -0.75 -0.00 0.00 0.00 174.94 175.44 3djc s LYS 175 N -3.58 2.84 0.33 0.37 2.20 -1.26 -4.94 119.74 115.70 3djc s LYS 175 Ca 0.27 0.40 -0.16 0.00 -0.36 0.00 0.00 55.97 56.12 3djc s LYS 175 Cb -0.03 -4.31 -0.09 0.00 -1.51 0.00 0.00 37.83 31.89 3djc s LYS 175 CO 0.11 -2.50 0.75 0.99 -0.36 0.00 0.00 175.35 174.34 3djc s THR 176 N 7.94 4.65 -0.58 3.43 2.01 -1.26 -5.00 115.64 126.83 3djc s THR 176 Ca 0.58 1.01 0.06 0.00 0.31 0.00 0.00 61.69 63.65 3djc s THR 176 Cb -0.12 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.79 3djc s THR 176 CO 0.20 -0.18 0.54 -0.62 -0.69 0.00 0.00 174.62 173.87 3djc n GLU 177 N -0.33 1.58 -4.59 4.92 -0.58 -1.26 -5.00 120.64 115.39 3djc n GLU 177 Ca 0.03 -0.58 -0.26 0.00 -0.42 0.00 0.00 57.16 55.94 3djc n GLU 177 Cb 0.53 -1.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.27 3djc n GLU 177 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3djc s SER 178 N -0.82 2.60 -0.08 1.62 0.15 -1.26 -5.05 113.70 110.86 3djc s SER 178 Ca 0.05 -0.57 0.16 0.00 0.70 0.00 0.00 55.95 56.29 3djc s SER 178 Cb 0.05 -0.20 -0.23 0.00 -1.71 0.00 0.00 66.02 63.93 3djc s SER 178 CO 0.12 0.15 0.46 1.33 1.20 0.00 0.00 173.24 176.50 3djc n VAL 179 N 1.64 1.32 -2.72 4.45 0.24 -1.26 -4.70 118.33 117.30 3djc n VAL 179 Ca -0.18 -0.78 -0.42 0.00 -2.04 0.00 0.00 64.34 60.93 3djc n VAL 179 Cb 0.53 -0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 3djc n VAL 179 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3djc s VAL 180 N -2.70 4.25 0.09 3.34 1.01 -1.26 -4.86 120.40 120.28 3djc s VAL 180 Ca -0.07 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 3djc s VAL 180 Cb 0.08 -4.92 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 3djc s VAL 180 CO 0.83 -1.74 0.93 -0.83 0.00 0.00 0.00 175.10 174.29 3djc s GLY 181 N 4.32 2.97 -0.31 4.51 0.00 -1.26 -4.94 107.32 112.61 3djc s GLY 181 Ca 0.39 0.53 0.08 0.00 0.00 0.00 0.00 44.72 45.72 3djc s GLY 181 CO -0.08 1.41 1.49 0.54 0.00 0.00 0.00 173.10 176.46 3djc n ARG 182 N 2.86 1.95 -3.59 2.90 1.74 -1.26 -4.71 116.66 116.54 3djc n ARG 182 Ca 0.02 -3.24 -0.13 0.00 -0.77 0.00 0.00 57.85 53.73 3djc n ARG 182 Cb 0.49 -1.87 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 3djc n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3djc s SER 183 N -2.53 -0.37 0.23 0.55 0.15 -1.26 -5.03 113.70 105.44 3djc s SER 183 Ca 0.46 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.06 3djc s SER 183 Cb 0.41 0.48 0.24 0.00 -1.71 0.00 0.00 66.02 65.44 3djc s SER 183 CO 0.00 -0.76 1.76 0.74 1.20 0.00 0.00 173.24 176.18 3djc h THR 184 N 2.66 1.25 -0.05 6.45 2.02 -1.99 0.09 112.91 123.34 3djc h THR 184 Ca -0.32 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 3djc h THR 184 Cb 1.23 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3djc h THR 184 CO 0.43 0.35 0.02 0.40 0.37 0.00 0.00 175.52 177.09 3djc h ILE 185 N 0.95 1.12 -0.71 3.11 2.04 -1.97 -2.38 117.51 119.68 3djc h ILE 185 Ca 0.20 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3djc h ILE 185 Cb 0.36 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3djc h ILE 185 CO 0.00 0.10 0.31 -0.33 0.00 0.00 0.00 178.15 178.23 3djc h GLU 186 N -0.05 1.03 -0.87 2.37 5.08 -1.92 -2.12 114.58 118.11 3djc h GLU 186 Ca 0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3djc h GLU 186 Cb 0.14 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3djc h GLU 186 CO -0.00 0.82 0.55 0.77 -1.00 0.00 0.00 179.01 180.15 3djc h SER 187 N 1.02 1.02 -0.14 1.42 0.02 -0.87 0.21 113.55 116.23 3djc h SER 187 Ca 0.24 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3djc h SER 187 Cb 0.16 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3djc h SER 187 CO -0.03 0.77 -0.03 0.40 -1.14 0.00 0.00 176.83 176.80 3djc h ILE 188 N 1.18 1.29 -0.13 3.27 2.04 -1.26 -1.58 117.51 122.33 3djc h ILE 188 Ca 0.31 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3djc h ILE 188 Cb -0.09 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3djc h ILE 188 CO -0.06 0.29 -0.26 1.56 0.00 0.00 0.00 178.15 179.68 3djc h GLN 189 N -0.03 0.22 0.01 2.37 4.20 -1.22 0.34 115.11 121.00 3djc h GLN 189 Ca 0.04 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 3djc h GLN 189 Cb 0.46 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3djc h GLN 189 CO 0.01 0.47 -0.89 0.77 -0.67 0.00 0.00 178.83 178.53 3djc h SER 190 N 0.20 0.05 0.10 1.46 0.02 -0.62 -3.08 113.55 111.69 3djc h SER 190 Ca 0.03 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3djc h SER 190 Cb 0.57 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3djc h SER 190 CO 0.04 0.91 -0.05 1.23 -1.14 0.00 0.00 176.83 177.82 3djc h GLY 191 N 2.49 -0.14 0.39 -3.77 0.00 -0.76 -2.74 103.07 98.54 3djc h GLY 191 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3djc h GLY 191 CO 0.12 -0.05 0.00 3.33 0.00 0.00 0.00 176.54 179.94 3djc n VAL 192 N -4.85 0.00 -0.07 4.60 0.24 0.11 -0.74 118.33 117.63 3djc n VAL 192 Ca -0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 3djc n VAL 192 Cb 0.28 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.38 3djc n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3djc n TYR 193 N -0.70 0.00 0.27 6.34 9.36 -1.16 -4.52 117.16 126.76 3djc n TYR 193 Ca 0.09 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.43 3djc n TYR 193 Cb 0.04 -0.52 0.20 0.00 -0.63 0.00 0.00 39.34 38.42 3djc n TYR 193 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3djc h TYR 194 N -0.60 0.00 -0.26 2.98 0.05 -1.50 -2.15 116.97 115.50 3djc h TYR 194 Ca -0.32 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.39 3djc h TYR 194 Cb 1.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 3djc h TYR 194 CO -0.10 0.00 -0.09 0.78 -1.05 0.00 0.00 178.16 177.69 3djc h GLY 195 N 4.08 0.57 1.22 3.88 0.00 -1.12 -1.42 103.07 110.28 3djc h GLY 195 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 47.33 46.56 3djc h GLY 195 CO 0.00 0.45 -1.09 -0.24 0.00 0.00 0.00 176.54 175.65 3djc h VAL 196 N 0.27 1.28 -0.88 4.60 3.04 -1.75 -0.06 116.25 122.75 3djc h VAL 196 Ca 0.06 -2.30 0.07 0.00 -1.01 0.00 0.00 66.70 63.53 3djc h VAL 196 Cb 0.58 2.45 -0.06 0.00 -2.01 0.00 0.00 31.29 32.26 3djc h VAL 196 CO 0.03 0.71 0.57 0.25 -1.01 0.00 0.00 177.57 178.12 3djc h LEU 197 N 0.37 0.85 -0.17 3.16 7.12 -1.49 0.37 115.31 125.52 3djc h LEU 197 Ca -0.14 0.01 -0.23 0.00 0.13 0.00 0.00 57.88 57.65 3djc h LEU 197 Cb 1.75 -0.17 0.01 0.00 -0.53 0.00 0.00 40.66 41.72 3djc h LEU 197 CO 0.21 0.53 -0.83 1.23 -0.13 0.00 0.00 178.44 179.46 3djc h GLY 198 N 0.96 0.79 0.82 3.75 0.00 -1.25 -3.05 103.07 105.08 3djc h GLY 198 Ca 0.39 -1.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 3djc h GLY 198 CO -0.15 1.04 0.01 0.00 0.00 0.00 0.00 176.54 177.44 3djc h ALA 199 N 0.59 0.05 -0.41 3.60 0.00 -0.16 -2.17 119.26 120.76 3djc h ALA 199 Ca -0.06 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3djc h ALA 199 Cb 1.46 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 3djc h ALA 199 CO 0.16 -0.34 0.03 0.00 0.00 0.00 0.00 179.25 179.10 3djc h LYS 201 N 0.14 0.82 -0.03 0.00 1.57 -1.41 0.12 116.57 117.78 3djc h LYS 201 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3djc h LYS 201 Cb 0.28 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3djc h LYS 201 CO -0.32 0.54 -0.01 1.49 -0.57 0.00 0.00 179.45 180.58 3djc h GLU 202 N 0.85 0.07 0.00 3.15 4.57 -1.23 -2.84 114.58 119.14 3djc h GLU 202 Ca 0.28 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.35 3djc h GLU 202 Cb 0.01 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3djc h GLU 202 CO -0.11 0.45 -0.36 -0.07 -1.18 0.00 0.00 179.01 177.75 3djc h LEU 203 N -0.32 0.00 0.63 1.64 3.38 -0.77 0.12 115.31 119.99 3djc h LEU 203 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3djc h LEU 203 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 3djc h LEU 203 CO 0.00 0.36 -0.30 0.40 0.09 0.00 0.00 178.44 178.99 3djc h ILE 204 N 0.00 0.35 0.00 1.22 2.04 -0.78 -2.29 117.51 118.05 3djc h ILE 204 Ca -0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 3djc h ILE 204 Cb 0.66 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3djc h ILE 204 CO 0.05 0.02 -0.40 0.06 0.00 0.00 0.00 178.15 177.88 3djc h GLN 205 N -0.93 0.00 -0.18 2.37 3.07 -1.24 0.30 115.11 118.51 3djc h GLN 205 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 3djc h GLN 205 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.23 3djc h GLN 205 CO 0.14 0.40 0.02 0.00 0.09 0.00 0.00 178.83 179.48 3djc h ARG 206 N 0.00 0.30 0.17 0.06 2.47 -0.82 -3.16 114.38 113.41 3djc h ARG 206 Ca -0.00 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3djc h ARG 206 Cb 0.82 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 3djc h ARG 206 CO 0.05 0.48 -0.08 0.82 0.56 0.00 0.00 179.97 181.79 3djc h ILE 207 N 0.08 0.85 -1.43 2.04 2.04 -1.21 -2.37 117.51 117.52 3djc h ILE 207 Ca 0.05 -1.07 0.48 0.00 1.00 0.00 0.00 64.86 65.32 3djc h ILE 207 Cb 0.33 1.40 -0.13 0.00 -0.74 0.00 0.00 36.82 37.68 3djc h ILE 207 CO 0.00 0.21 0.93 -0.74 0.00 0.00 0.00 178.15 178.55 3djc h HIS 208 N -0.84 0.47 0.02 1.37 2.76 -1.07 0.19 115.15 118.06 3djc h HIS 208 Ca -0.02 0.02 -0.36 0.00 -2.20 0.00 0.00 60.37 57.80 3djc h HIS 208 Cb 0.52 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.32 3djc h HIS 208 CO 0.08 -0.25 -2.25 0.72 -1.30 0.00 0.00 177.93 174.93 3djc n HIS 209 N -4.66 0.37 -0.01 5.26 8.25 -1.19 -1.74 115.22 121.50 3djc n HIS 209 Ca 0.40 0.10 -0.17 0.00 -0.26 0.00 0.00 57.72 57.80 3djc n HIS 209 Cb 1.59 -1.06 -0.13 0.00 1.12 0.00 0.00 29.99 31.52 3djc n HIS 209 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3djc h GLU 210 N 0.01 0.22 0.23 -0.41 4.81 -0.76 -2.83 114.58 115.86 3djc h GLU 210 Ca -0.50 -0.30 -0.34 0.00 -0.13 0.00 0.00 59.36 58.10 3djc h GLU 210 Cb 2.06 0.10 0.03 0.00 0.63 0.00 0.00 28.75 31.57 3djc h GLU 210 CO 0.01 1.07 -1.54 0.00 -0.73 0.00 0.00 179.01 177.81 3djc h ALA 211 N 0.16 -0.07 -0.14 2.92 0.00 -0.88 -3.39 119.26 117.85 3djc h ALA 211 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3djc h ALA 211 Cb 1.26 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3djc h ALA 211 CO 0.08 0.77 0.00 1.19 0.00 0.00 0.00 179.25 181.30 3djc n PHE 212 N -3.70 0.35 -2.03 0.00 0.99 -1.15 -4.99 117.46 106.92 3djc n PHE 212 Ca -0.19 -0.73 -0.14 0.00 -0.00 0.00 0.00 57.45 56.38 3djc n PHE 212 Cb 1.09 -0.14 -0.03 0.00 -1.00 0.00 0.00 39.48 39.40 3djc n PHE 212 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3djc n ASN 213 N -0.53 -4.16 -0.00 4.37 3.02 -1.07 -0.94 115.26 115.95 3djc n ASN 213 Ca 0.12 0.23 -0.00 0.00 -0.03 0.00 0.00 54.58 54.90 3djc n ASN 213 Cb 0.56 -3.63 -0.00 0.00 -0.61 0.00 0.00 39.78 36.09 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3djc n GLY 214 N -0.62 0.48 0.04 7.41 0.00 -0.71 -4.95 105.19 106.84 3djc n GLY 214 Ca -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.03 -0.95 -4.74 1.61 10.43 -0.11 -5.00 116.55 117.75 3djc n ASP 215 Ca -0.00 -0.54 -0.40 0.00 2.57 0.00 0.00 54.79 56.42 3djc n ASP 215 Cb 0.02 -0.01 -0.05 0.00 1.84 0.00 0.00 41.12 42.92 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 -3.03 4.79 0.20 -1.24 1.11 -1.26 -5.03 119.66 115.20 3djc s GLN 216 Ca 0.01 1.49 0.01 0.00 0.01 0.00 0.00 55.36 56.87 3djc s GLN 216 Cb -0.00 -3.31 -0.05 0.00 -1.01 0.00 0.00 33.01 28.64 3djc s GLN 216 CO 0.01 0.40 0.06 0.96 0.01 0.00 0.00 175.29 176.72 3djc s ILE 217 N -0.75 0.47 -0.00 1.08 -4.36 -1.26 -4.37 121.20 112.00 3djc s ILE 217 Ca 0.43 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.90 3djc s ILE 217 Cb -0.25 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 3djc s ILE 217 CO 0.31 -0.25 -0.17 -0.22 0.24 0.00 0.00 174.94 174.85 3djc s LEU 218 N -3.20 2.06 -0.21 0.37 2.96 -0.47 -5.00 118.68 115.19 3djc s LEU 218 Ca 0.31 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3djc s LEU 218 Cb 0.07 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.91 3djc s LEU 218 CO 0.08 0.19 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.53 3djc s ILE 219 N -0.48 2.44 -0.20 6.68 1.01 -1.26 -1.45 121.20 127.94 3djc s ILE 219 Ca 0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3djc s ILE 219 Cb -0.07 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3djc s ILE 219 CO -0.00 0.40 0.08 -0.76 0.00 0.00 0.00 174.94 174.65 3djc s LEU 220 N 1.31 3.82 -0.12 2.97 1.02 -0.95 -1.67 118.68 125.05 3djc s LEU 220 Ca 0.03 0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.19 3djc s LEU 220 Cb -0.15 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 3djc s LEU 220 CO -0.09 0.12 0.01 0.00 0.02 0.00 0.00 176.35 176.41 3djc s ALA 221 N 0.67 3.26 0.27 4.21 0.00 0.03 -0.18 121.76 130.03 3djc s ALA 221 Ca 0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3djc s ALA 221 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 3djc s ALA 221 CO 0.02 0.42 0.30 -0.08 0.00 0.00 0.00 175.76 176.42 3djc s THR 222 N -0.34 0.00 0.00 0.00 -1.32 0.18 -1.65 115.64 112.52 3djc s THR 222 Ca 0.07 -1.81 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 3djc s THR 222 Cb -0.12 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3djc s THR 222 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3djc n GLY 223 N -0.44 1.04 0.09 6.08 0.00 -1.26 0.48 105.19 111.18 3djc n GLY 223 Ca 0.03 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.21 3djc n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djc n GLY 224 N 1.58 -1.62 0.97 -0.02 0.00 -0.60 -3.55 105.19 101.95 3djc n GLY 224 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3djc n GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3djc n PHE 225 N -2.16 0.05 0.12 1.61 3.01 -0.80 -4.52 117.46 114.79 3djc n PHE 225 Ca 0.05 -0.03 0.02 0.00 1.01 0.00 0.00 57.45 58.51 3djc n PHE 225 Cb 0.42 -0.00 0.38 0.00 -0.01 0.00 0.00 39.48 40.27 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3djc h ALA 226 N 4.64 1.47 0.00 4.37 0.00 -1.75 -3.06 119.26 124.94 3djc h ALA 226 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3djc h ALA 226 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3djc h ALA 226 CO 0.00 0.37 -0.21 0.77 0.00 0.00 0.00 179.25 180.19 3djc h SER 227 N 0.21 0.00 0.47 0.00 0.02 -1.84 -2.73 113.55 109.67 3djc h SER 227 Ca 0.04 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3djc h SER 227 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3djc h SER 227 CO 0.03 0.21 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.68 3djc h LEU 228 N 0.00 0.00 -3.43 5.07 3.38 -1.87 -3.14 115.31 115.31 3djc h LEU 228 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3djc h LEU 228 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3djc h LEU 228 CO 0.03 0.17 0.03 0.49 0.09 0.00 0.00 178.44 179.25 3djc n PHE 229 N -3.67 1.53 0.07 1.13 3.72 -1.03 -4.61 117.46 114.60 3djc n PHE 229 Ca -0.01 -0.92 -0.05 0.00 -0.05 0.00 0.00 57.45 56.42 3djc n PHE 229 Cb 0.30 -0.44 0.14 0.00 -0.94 0.00 0.00 39.48 38.54 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 2.58 0.34 1.15 4.37 -0.00 -1.65 -3.17 116.42 120.03 3djc h ASP 230 Ca 0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 3djc h ASP 230 Cb 1.76 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.99 3djc h ASP 230 CO 0.39 0.80 -0.14 2.29 -0.00 0.00 0.00 179.24 182.58 3djc n LYS 231 N -3.94 0.16 0.00 0.28 -0.00 -1.26 -4.08 118.16 109.31 3djc n LYS 231 Ca -0.02 0.11 0.14 0.00 -0.00 0.00 0.00 58.31 58.54 3djc n LYS 231 Cb 0.57 -1.67 0.64 0.00 -0.00 0.00 0.00 35.03 34.57 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 -1.94 0.17 -3.12 -1.58 1.13 -1.20 -4.91 117.38 105.94 3djc n GLN 232 Ca 0.06 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 54.96 3djc n GLN 232 Cb 0.40 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.31 3djc n GLN 232 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3djc n GLY 233 N 1.42 -0.15 0.10 1.08 0.00 -1.26 -4.97 105.19 101.42 3djc n GLY 233 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3djc n GLY 233 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3djc n LEU 234 N -3.45 0.83 -3.90 0.99 7.94 -1.26 -5.01 117.00 113.14 3djc n LEU 234 Ca -0.15 0.14 -0.08 0.00 -1.11 0.00 0.00 56.01 54.81 3djc n LEU 234 Cb 0.60 0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.58 3djc n LEU 234 CO 0.46 0.54 -0.15 -0.72 -1.11 0.00 0.00 177.39 176.41 3djc s TYR 235 N -2.53 0.22 -0.04 1.96 1.13 -1.26 -4.96 117.35 111.87 3djc s TYR 235 Ca -0.12 -0.68 -0.09 0.00 -1.41 0.00 0.00 57.07 54.77 3djc s TYR 235 Cb 0.07 -0.12 -0.30 0.00 -1.10 0.00 0.00 41.96 40.51 3djc s TYR 235 CO 0.80 -0.51 0.71 -0.44 -2.51 0.00 0.00 175.55 173.60 3djc h ASP 236 N 2.83 0.58 -3.81 -0.18 3.32 -1.71 -3.47 116.42 113.97 3djc h ASP 236 Ca -0.34 -0.85 -0.35 0.00 0.02 0.00 0.00 57.03 55.51 3djc h ASP 236 Cb 1.19 -0.19 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 3djc h ASP 236 CO 0.58 1.72 -0.76 -1.00 -1.72 0.00 0.00 179.24 178.06 3djc s HIS 237 N -2.59 0.56 -0.41 4.55 3.76 -1.08 -5.05 115.29 115.03 3djc s HIS 237 Ca -0.14 -0.11 -0.13 0.00 -0.15 0.00 0.00 55.06 54.53 3djc s HIS 237 Cb 0.06 -0.41 0.04 0.00 1.11 0.00 0.00 32.58 33.38 3djc s HIS 237 CO 0.86 -0.05 0.27 -1.17 -0.85 0.00 0.00 174.74 173.80 3djc s LEU 238 N 0.14 5.04 -0.46 0.89 0.20 -1.26 -0.79 118.68 122.45 3djc s LEU 238 Ca -0.01 -1.08 -0.05 0.00 0.69 0.00 0.00 54.13 53.67 3djc s LEU 238 Cb -0.05 -2.09 0.12 0.00 -0.43 0.00 0.00 46.19 43.74 3djc s LEU 238 CO -0.00 -0.47 0.28 -0.69 -0.29 0.00 0.00 176.35 175.18 3djc s VAL 239 N 1.59 3.69 0.15 1.68 1.01 -0.66 -4.97 120.40 122.90 3djc s VAL 239 Ca 0.03 -2.04 0.24 0.00 0.00 0.00 0.00 61.98 60.21 3djc s VAL 239 Cb -0.20 -3.48 0.23 0.00 0.00 0.00 0.00 36.38 32.93 3djc s VAL 239 CO 0.07 -0.74 1.83 -0.65 0.00 0.00 0.00 175.10 175.61 3djc h PRO 240 N 8.11 0.00 -0.68 2.72 0.11 -1.94 -3.09 132.00 137.23 3djc h PRO 240 Ca -0.15 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.61 3djc h PRO 240 Cb 1.05 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.95 3djc h PRO 240 CO 0.76 0.23 0.29 -0.25 -0.21 0.00 0.00 178.00 178.83 3djc n ASP 241 N -3.41 3.11 -0.30 -2.05 10.43 -1.26 -4.55 116.55 118.51 3djc n ASP 241 Ca -0.00 -3.70 -0.05 0.00 2.57 0.00 0.00 54.79 53.60 3djc n ASP 241 Cb 0.43 -0.74 0.08 0.00 1.84 0.00 0.00 41.12 42.72 3djc n ASP 241 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3djc h LEU 242 N 1.00 1.11 -0.82 0.64 5.85 -1.93 -2.27 115.31 118.89 3djc h LEU 242 Ca 0.44 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 3djc h LEU 242 Cb 2.29 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 3djc h LEU 242 CO 0.76 0.96 0.10 1.62 -0.34 0.00 0.00 178.44 181.54 3djc h VAL 243 N 1.20 1.25 -0.04 1.05 3.04 -1.86 -2.51 116.25 118.37 3djc h VAL 243 Ca 0.28 -0.98 -0.15 0.00 -1.01 0.00 0.00 66.70 64.84 3djc h VAL 243 Cb 0.16 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 3djc h VAL 243 CO -0.03 0.36 -0.67 -0.07 -1.01 0.00 0.00 177.57 176.16 3djc h LEU 244 N 0.93 0.23 -0.56 3.16 3.38 -1.89 -2.22 115.31 118.35 3djc h LEU 244 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3djc h LEU 244 Cb 0.40 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3djc h LEU 244 CO 0.01 0.83 0.35 1.56 0.09 0.00 0.00 178.44 181.27 3djc h GLN 245 N 0.14 0.75 -0.12 1.13 4.20 -1.36 -2.82 115.11 117.02 3djc h GLN 245 Ca -0.01 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 3djc h GLN 245 Cb 1.19 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3djc h GLN 245 CO 0.10 0.52 -0.50 0.78 -0.67 0.00 0.00 178.83 179.06 3djc h GLY 246 N 0.75 0.35 1.68 3.46 0.00 -1.25 -1.99 103.07 106.07 3djc h GLY 246 Ca 0.20 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 3djc h GLY 246 CO -0.04 0.35 -0.50 -2.22 0.00 0.00 0.00 176.54 174.13 3djc h ILE 247 N 0.26 1.34 -0.21 2.60 2.04 -1.41 -1.39 117.51 120.73 3djc h ILE 247 Ca 0.01 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 3djc h ILE 247 Cb 0.98 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3djc h ILE 247 CO 0.08 0.52 -0.06 -0.09 0.00 0.00 0.00 178.15 178.61 3djc h ARG 248 N 0.27 0.42 -0.61 2.37 2.43 -1.39 -1.52 114.38 116.35 3djc h ARG 248 Ca 0.01 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 3djc h ARG 248 Cb 0.97 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 3djc h ARG 248 CO 0.08 0.67 0.04 -0.07 -1.51 0.00 0.00 179.97 179.17 3djc h LEU 249 N 0.14 1.01 -0.99 3.80 4.07 -1.35 -1.19 115.31 120.80 3djc h LEU 249 Ca 0.05 -0.26 -0.11 0.00 0.08 0.00 0.00 57.88 57.64 3djc h LEU 249 Cb 0.52 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 3djc h LEU 249 CO 0.02 1.04 -0.48 0.00 -1.08 0.00 0.00 178.44 177.94 3djc h ALA 250 N 1.07 1.16 -0.08 1.53 0.00 -1.29 -0.36 119.26 121.29 3djc h ALA 250 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3djc h ALA 250 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3djc h ALA 250 CO 0.02 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.91 3djc h ALA 251 N 1.47 0.10 0.00 0.00 0.00 -1.00 -3.06 119.26 116.77 3djc h ALA 251 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3djc h ALA 251 Cb 0.87 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3djc h ALA 251 CO 0.07 -0.29 -0.27 0.52 0.00 0.00 0.00 179.25 179.28 3djc h MET 252 N -0.07 0.00 0.00 0.00 2.07 -0.91 0.20 114.93 116.23 3djc h MET 252 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3djc h MET 252 Cb 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3djc h MET 252 CO -0.00 0.27 0.00 0.52 1.07 0.00 0.00 176.91 178.77 3djc h MET 253 N 0.00 0.00 -0.01 1.72 2.86 -1.06 -3.31 114.93 115.13 3djc h MET 253 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3djc h MET 253 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3djc h MET 253 CO 0.04 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.10 3djc n ASN 254 N -2.65 1.28 0.00 1.22 3.02 -0.06 -4.84 115.26 113.23 3djc n ASN 254 Ca 0.01 -1.15 0.14 0.00 -0.03 0.00 0.00 54.58 53.55 3djc n ASN 254 Cb 0.27 -0.00 0.83 0.00 -0.61 0.00 0.00 39.78 40.27 3djc n ASN 254 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71