#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djc s ILE 2 N 0.00 3.38 -0.25 -0.08 2.07 -0.89 -2.40 121.20 123.04 3djc s ILE 2 Ca 0.00 -0.59 -0.14 0.00 -1.41 0.00 0.00 60.65 58.51 3djc s ILE 2 Cb 0.00 -2.38 -0.04 0.00 0.13 0.00 0.00 42.46 40.17 3djc s ILE 2 CO 0.00 0.57 0.34 -0.22 -1.91 0.00 0.00 174.94 173.72 3djc s LEU 3 N -0.46 4.08 -0.17 8.50 2.96 -0.07 -1.01 118.68 132.51 3djc s LEU 3 Ca 0.06 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3djc s LEU 3 Cb -0.12 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3djc s LEU 3 CO 0.02 -0.11 -0.03 0.00 -1.32 0.00 0.00 176.35 174.91 3djc s ILE 5 N 0.55 1.54 -0.13 0.00 1.01 -0.52 -0.67 121.20 122.98 3djc s ILE 5 Ca -0.03 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3djc s ILE 5 Cb -0.14 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3djc s ILE 5 CO 0.03 0.44 -0.21 -0.62 0.00 0.00 0.00 174.94 174.57 3djc s ASP 6 N -0.01 3.25 -0.71 3.58 2.15 0.16 -1.82 116.67 123.26 3djc s ASP 6 Ca -0.03 -0.55 -0.11 0.00 0.43 0.00 0.00 52.55 52.29 3djc s ASP 6 Cb -0.12 -1.46 0.19 0.00 -0.30 0.00 0.00 42.92 41.23 3djc s ASP 6 CO 0.02 0.12 0.62 -0.69 -0.17 0.00 0.00 175.17 175.07 3djc s VAL 7 N 0.59 4.99 0.66 1.11 1.01 -0.12 -0.21 120.40 128.41 3djc s VAL 7 Ca -0.12 -2.42 -0.03 0.00 0.00 0.00 0.00 61.98 59.42 3djc s VAL 7 Cb -0.17 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.21 3djc s VAL 7 CO 0.03 -0.95 0.90 0.61 0.00 0.00 0.00 175.10 175.69 3djc n GLY 8 N 4.08 0.28 0.20 4.51 0.00 -0.37 -1.49 105.19 112.41 3djc n GLY 8 Ca 0.07 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.68 0.86 0.00 1.61 -0.26 -1.97 -3.37 115.58 111.77 3djc h ASN 9 Ca -0.30 -0.66 -0.10 0.00 -0.56 0.00 0.00 56.30 54.68 3djc h ASN 9 Cb 1.03 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 3djc h ASN 9 CO 0.29 1.45 -0.66 0.77 -1.06 0.00 0.00 177.43 178.23 3djc h SER 10 N 0.40 0.00 -4.14 5.81 4.64 -1.96 -3.43 113.55 114.87 3djc h SER 10 Ca -0.10 -0.48 -0.60 0.00 -0.47 0.00 0.00 61.79 60.13 3djc h SER 10 Cb 1.61 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.47 3djc h SER 10 CO 0.19 1.12 -0.84 -1.00 -0.87 0.00 0.00 176.83 175.42 3djc s HIS 11 N -2.21 1.96 -0.29 4.77 3.76 -1.26 -2.71 115.29 119.31 3djc s HIS 11 Ca -0.20 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.09 3djc s HIS 11 Cb 0.02 -1.09 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 3djc s HIS 11 CO 0.48 0.22 0.68 0.42 -0.85 0.00 0.00 174.74 175.68 3djc s ILE 12 N -1.05 4.91 -0.19 0.60 1.01 0.39 -1.23 121.20 125.64 3djc s ILE 12 Ca 0.09 1.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 3djc s ILE 12 Cb -0.10 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.36 3djc s ILE 12 CO 0.04 -0.11 -0.14 -0.47 0.00 0.00 0.00 174.94 174.26 3djc s TYR 13 N 2.67 2.84 0.13 3.97 5.04 0.70 -0.83 117.35 131.87 3djc s TYR 13 Ca 0.28 -1.39 0.09 0.00 -2.44 0.00 0.00 57.07 53.60 3djc s TYR 13 Cb -0.15 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.14 3djc s TYR 13 CO 0.11 -0.71 -0.20 0.20 -1.34 0.00 0.00 175.55 173.60 3djc s GLY 14 N 1.35 1.33 -0.19 8.97 0.00 -0.40 0.41 107.32 118.79 3djc s GLY 14 Ca 0.05 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.26 3djc s GLY 14 CO -0.09 -1.39 0.49 -0.32 0.00 0.00 0.00 173.10 171.79 3djc s GLY 15 N -2.24 -0.39 -0.19 0.20 0.00 0.15 0.39 107.32 105.24 3djc s GLY 15 Ca 0.11 1.57 -0.16 0.00 0.00 0.00 0.00 44.72 46.23 3djc s GLY 15 CO 0.05 1.51 0.42 0.54 0.00 0.00 0.00 173.10 175.62 3djc s VAL 16 N 0.80 5.19 -0.21 1.40 0.11 -0.20 -1.17 120.40 126.32 3djc s VAL 16 Ca -0.04 0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 59.64 3djc s VAL 16 Cb -0.05 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 3djc s VAL 16 CO -0.06 0.25 0.26 -0.36 -3.33 0.00 0.00 175.10 171.86 3djc s PHE 17 N 1.29 3.38 -0.45 1.54 0.40 -0.18 -0.88 117.98 123.08 3djc s PHE 17 Ca 0.20 0.44 -0.17 0.00 -0.60 0.00 0.00 56.93 56.80 3djc s PHE 17 Cb -0.15 -2.35 0.04 0.00 0.51 0.00 0.00 43.02 41.07 3djc s PHE 17 CO 0.08 0.11 0.47 0.34 0.70 0.00 0.00 175.22 176.92 3djc s ASP 18 N 0.84 6.20 0.69 1.36 3.68 -0.05 -2.09 116.67 127.31 3djc s ASP 18 Ca 0.13 -0.82 0.00 0.00 2.13 0.00 0.00 52.55 54.00 3djc s ASP 18 Cb -0.13 -2.23 0.00 0.00 -1.45 0.00 0.00 42.92 39.10 3djc s ASP 18 CO 0.05 -0.66 0.00 0.61 0.13 0.00 0.00 175.17 175.30 3djc n GLY 19 N 5.14 0.28 0.00 2.66 0.00 -1.26 -2.08 105.19 109.93 3djc n GLY 19 Ca -0.08 0.67 0.04 0.00 0.00 0.00 0.00 46.02 46.65 3djc n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3djc n ASP 20 N 6.41 1.80 -4.34 1.61 4.64 -1.26 -4.98 116.55 120.42 3djc n ASP 20 Ca 0.00 -0.33 -0.33 0.00 -1.38 0.00 0.00 54.79 52.75 3djc n ASP 20 Cb 0.00 1.19 -0.15 0.00 -1.04 0.00 0.00 41.12 41.12 3djc n ASP 20 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3djc s GLU 21 N -2.17 3.10 -0.25 -0.67 -1.05 -0.88 -5.08 118.70 111.71 3djc s GLU 21 Ca -0.00 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 3djc s GLU 21 Cb 0.06 -2.47 -0.02 0.00 -0.44 0.00 0.00 34.13 31.25 3djc s GLU 21 CO 0.33 0.28 1.55 0.42 0.95 0.00 0.00 175.26 178.79 3djc s ILE 22 N 0.15 3.79 0.05 1.83 1.01 -1.26 -0.87 121.20 125.89 3djc s ILE 22 Ca -0.09 0.88 0.09 0.00 0.00 0.00 0.00 60.65 61.53 3djc s ILE 22 Cb -0.15 -3.82 -0.16 0.00 0.01 0.00 0.00 42.46 38.34 3djc s ILE 22 CO 0.06 -0.36 1.24 0.50 0.00 0.00 0.00 174.94 176.38 3djc h LYS 23 N 10.53 0.00 -1.99 2.79 3.64 -1.37 -3.47 116.57 126.71 3djc h LYS 23 Ca -0.32 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3djc h LYS 23 Cb 1.14 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.75 3djc h LYS 23 CO 1.01 0.84 0.11 -1.17 -2.27 0.00 0.00 179.45 177.98 3djc s LEU 24 N -6.58 -0.79 0.23 5.20 2.96 -1.24 -5.03 118.68 113.43 3djc s LEU 24 Ca 0.01 1.45 0.08 0.00 -0.22 0.00 0.00 54.13 55.44 3djc s LEU 24 Cb 0.09 2.43 -0.04 0.00 0.50 0.00 0.00 46.19 49.18 3djc s LEU 24 CO 0.81 -0.24 0.08 -0.13 -1.32 0.00 0.00 176.35 175.55 3djc s ARG 25 N 0.68 2.61 0.25 1.98 0.52 -1.26 -1.03 118.95 122.70 3djc s ARG 25 Ca -0.02 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 53.90 3djc s ARG 25 Cb -0.05 -2.40 -0.00 0.00 0.52 0.00 0.00 34.95 33.01 3djc s ARG 25 CO -0.04 0.41 0.50 -0.59 0.02 0.00 0.00 175.30 175.60 3djc s PHE 26 N -2.06 0.32 -0.04 -0.53 -0.71 0.16 -4.95 117.98 110.19 3djc s PHE 26 Ca 0.31 -0.69 -0.06 0.00 -1.04 0.00 0.00 56.93 55.44 3djc s PHE 26 Cb -0.08 0.23 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 3djc s PHE 26 CO 0.22 -1.01 0.15 1.03 -1.34 0.00 0.00 175.22 174.27 3djc s ARG 27 N -4.01 0.31 0.03 1.99 0.52 -1.26 -1.27 118.95 115.25 3djc s ARG 27 Ca 0.22 -0.03 -0.05 0.00 -0.52 0.00 0.00 55.73 55.35 3djc s ARG 27 Cb -0.01 0.14 -0.01 0.00 0.52 0.00 0.00 34.95 35.59 3djc s ARG 27 CO 0.09 -0.06 0.08 -1.58 0.02 0.00 0.00 175.30 173.85 3djc s HIS 28 N -0.51 0.18 0.45 -0.53 5.65 -0.01 -5.00 115.29 115.52 3djc s HIS 28 Ca -0.06 -0.42 -0.23 0.00 0.25 0.00 0.00 55.06 54.60 3djc s HIS 28 Cb -0.04 -0.13 -0.08 0.00 -1.18 0.00 0.00 32.58 31.15 3djc s HIS 28 CO 0.01 -0.31 1.16 0.99 -0.65 0.00 0.00 174.74 175.93 3djc s THR 29 N -2.11 3.16 -0.61 0.89 2.01 -1.26 0.15 115.64 117.87 3djc s THR 29 Ca -0.09 0.88 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 3djc s THR 29 Cb -0.04 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.06 3djc s THR 29 CO -0.02 -0.01 1.10 -0.94 -0.69 0.00 0.00 174.62 174.06 3djc s SER 30 N -1.37 6.33 0.08 3.53 1.04 -1.10 -4.40 113.70 117.81 3djc s SER 30 Ca 0.63 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.73 3djc s SER 30 Cb -0.28 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 3djc s SER 30 CO 0.34 -1.46 0.14 -0.75 0.98 0.00 0.00 173.24 172.49 3djc s LYS 31 N 4.69 0.78 -0.57 4.02 2.20 -1.26 -4.96 119.74 124.64 3djc s LYS 31 Ca 0.35 -1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 54.70 3djc s LYS 31 Cb -0.10 0.31 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 3djc s LYS 31 CO 0.20 -0.23 2.21 0.14 -0.36 0.00 0.00 175.35 177.31 3djc s VAL 32 N -3.80 3.14 0.33 4.02 -7.23 -1.26 -4.87 120.40 110.71 3djc s VAL 32 Ca 0.05 0.05 0.07 0.00 -1.81 0.00 0.00 61.98 60.34 3djc s VAL 32 Cb 0.05 -3.36 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 3djc s VAL 32 CO -0.10 -0.35 -0.03 -0.44 -0.31 0.00 0.00 175.10 173.87 3djc s SER 33 N 10.61 3.06 0.29 4.85 0.01 -1.26 -5.16 113.70 126.10 3djc s SER 33 Ca 0.86 -1.27 0.10 0.00 1.31 0.00 0.00 55.95 56.95 3djc s SER 33 Cb -0.15 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 3djc s SER 33 CO 0.22 -0.40 -0.01 0.42 0.41 0.00 0.00 173.24 173.89 3djc s THR 34 N -2.95 3.17 0.51 1.44 -4.23 -1.26 -4.80 115.64 107.53 3djc s THR 34 Ca 0.33 -1.95 0.41 0.00 -1.18 0.00 0.00 61.69 59.30 3djc s THR 34 Cb 0.06 -2.79 0.42 0.00 1.34 0.00 0.00 72.50 71.52 3djc s THR 34 CO 0.15 -0.33 2.26 0.77 -0.54 0.00 0.00 174.62 176.93 3djc h SER 35 N 1.88 0.00 0.17 3.99 4.64 -1.94 -0.53 113.55 121.75 3djc h SER 35 Ca -0.43 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.54 3djc h SER 35 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3djc h SER 35 CO 0.62 0.00 -1.75 0.44 -0.87 0.00 0.00 176.83 175.26 3djc h ASP 36 N 0.00 0.56 -0.49 4.97 3.32 -1.94 -2.95 116.42 119.89 3djc h ASP 36 Ca 0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 57.03 56.08 3djc h ASP 36 Cb 0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3djc h ASP 36 CO 0.00 1.78 0.18 -0.33 -1.72 0.00 0.00 179.24 179.15 3djc h GLU 37 N 0.05 0.75 -0.06 3.56 5.08 -1.71 -1.76 114.58 120.49 3djc h GLU 37 Ca -0.35 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 57.65 3djc h GLU 37 Cb 2.05 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 3djc h GLU 37 CO 0.15 0.69 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.97 3djc h LEU 38 N 0.66 0.56 -0.79 1.33 3.38 -1.32 -3.01 115.31 116.12 3djc h LEU 38 Ca 0.16 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3djc h LEU 38 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3djc h LEU 38 CO -0.01 1.16 -0.45 1.23 0.09 0.00 0.00 178.44 180.47 3djc h GLY 39 N 1.16 0.00 0.67 0.83 0.00 -1.43 -1.58 103.07 102.72 3djc h GLY 39 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3djc h GLY 39 CO 0.14 0.00 -0.21 -2.22 0.00 0.00 0.00 176.54 174.25 3djc h ILE 40 N 0.00 1.40 0.24 2.60 1.08 -1.39 -3.08 117.51 118.37 3djc h ILE 40 Ca -0.00 -1.52 0.00 0.00 -0.39 0.00 0.00 64.86 62.95 3djc h ILE 40 Cb 1.00 2.17 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 3djc h ILE 40 CO 0.06 0.44 -0.23 0.15 -0.69 0.00 0.00 178.15 177.87 3djc h PHE 41 N -0.16 -0.61 -0.14 1.37 3.57 -1.40 0.37 116.94 119.94 3djc h PHE 41 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3djc h PHE 41 Cb 0.81 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 3djc h PHE 41 CO 0.11 -0.34 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.55 3djc h LEU 42 N -0.50 -0.71 -0.64 0.59 3.38 -1.41 0.79 115.31 116.80 3djc h LEU 42 Ca -0.01 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3djc h LEU 42 Cb 0.46 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3djc h LEU 42 CO -0.04 -0.28 0.23 0.11 0.09 0.00 0.00 178.44 178.54 3djc h LYS 43 N -0.28 0.98 0.12 1.13 1.57 -1.51 -2.12 116.57 116.46 3djc h LYS 43 Ca 0.10 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3djc h LYS 43 Cb 0.44 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3djc h LYS 43 CO -0.31 0.84 -0.06 1.03 -0.57 0.00 0.00 179.45 180.39 3djc h SER 44 N 0.91 -0.14 -0.26 0.86 0.87 -0.45 -0.64 113.55 114.69 3djc h SER 44 Ca 0.21 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3djc h SER 44 Cb 0.25 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3djc h SER 44 CO -0.01 0.09 0.18 1.62 -0.53 0.00 0.00 176.83 178.18 3djc h VAL 45 N -0.38 1.07 0.41 2.23 3.04 0.58 -1.26 116.25 121.94 3djc h VAL 45 Ca -0.02 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 3djc h VAL 45 Cb 0.31 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3djc h VAL 45 CO 0.03 0.07 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.39 3djc h LEU 46 N 0.36 -0.47 -0.11 3.16 3.38 -1.29 -3.19 115.31 117.15 3djc h LEU 46 Ca 0.10 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3djc h LEU 46 Cb -0.04 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3djc h LEU 46 CO -0.02 -0.10 -0.20 0.03 0.09 0.00 0.00 178.44 178.24 3djc h ARG 47 N -0.89 -0.25 0.00 1.13 3.08 -0.52 -0.89 114.38 116.04 3djc h ARG 47 Ca -0.06 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3djc h ARG 47 Cb 0.56 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3djc h ARG 47 CO 0.09 -0.17 -0.25 0.93 -1.07 0.00 0.00 179.97 179.50 3djc h GLU 48 N -0.26 0.00 -0.74 0.04 4.39 -1.41 -1.48 114.58 115.12 3djc h GLU 48 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3djc h GLU 48 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3djc h GLU 48 CO -0.26 0.25 0.03 0.09 -1.16 0.00 0.00 179.01 177.97 3djc n ASN 49 N -3.83 4.11 -3.38 1.42 3.02 -1.09 -4.94 115.26 110.58 3djc n ASN 49 Ca -0.02 -2.65 -0.21 0.00 -0.03 0.00 0.00 54.58 51.67 3djc n ASN 49 Cb 0.35 -0.63 0.08 0.00 -0.61 0.00 0.00 39.78 38.96 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 -5.42 -3.92 6.41 4.13 -0.56 -5.01 115.26 111.23 3djc n ASN 50 Ca 0.20 -0.52 -0.29 0.00 1.68 0.00 0.00 54.58 55.65 3djc n ASN 50 Cb 0.91 -4.76 -0.16 0.00 -1.54 0.00 0.00 39.78 34.23 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 1.54 6.65 0.57 0.00 0.15 -1.26 -2.78 113.70 118.57 3djc s SER 52 Ca -0.01 2.42 0.32 0.00 0.70 0.00 0.00 55.95 59.38 3djc s SER 52 Cb -0.16 -2.56 1.75 0.00 -1.71 0.00 0.00 66.02 63.33 3djc s SER 52 CO -0.08 -0.85 2.18 -0.65 1.20 0.00 0.00 173.24 175.04 3djc h PRO 53 N 8.15 0.00 -0.29 5.44 0.11 -1.89 -2.12 132.00 141.39 3djc h PRO 53 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3djc h PRO 53 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3djc h PRO 53 CO 0.92 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 179.16 3djc n GLU 54 N -3.56 1.67 -0.00 1.05 4.71 -1.26 -3.22 120.64 120.02 3djc n GLU 54 Ca -0.02 -1.04 0.08 0.00 -0.01 0.00 0.00 57.16 56.17 3djc n GLU 54 Cb 0.16 -1.23 -0.12 0.00 -1.01 0.00 0.00 31.44 29.25 3djc n GLU 54 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3djc n THR 55 N 0.35 0.00 -2.09 2.62 -2.24 -0.79 -4.90 114.28 107.22 3djc n THR 55 Ca 0.10 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 3djc n THR 55 Cb 0.24 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 3djc n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3djc s ILE 56 N -2.93 3.50 -0.13 2.28 -1.09 -1.20 -4.53 121.20 117.10 3djc s ILE 56 Ca -0.01 0.42 0.19 0.00 -2.23 0.00 0.00 60.65 59.01 3djc s ILE 56 Cb 0.12 -3.91 -0.21 0.00 -1.58 0.00 0.00 42.46 36.87 3djc s ILE 56 CO 0.70 -0.75 0.53 -1.14 -1.23 0.00 0.00 174.94 173.05 3djc n ARG 57 N 8.76 0.65 -4.30 2.79 3.00 -1.01 -4.94 116.66 121.61 3djc n ARG 57 Ca 0.20 0.05 -0.21 0.00 -0.00 0.00 0.00 57.85 57.89 3djc n ARG 57 Cb 0.50 -1.66 -0.13 0.00 0.00 0.00 0.00 32.46 31.17 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3djc s LYS 58 N -2.95 0.98 -0.03 -0.14 1.02 -1.13 -5.03 119.74 112.45 3djc s LYS 58 Ca -0.06 -0.94 0.02 0.00 0.02 0.00 0.00 55.97 55.01 3djc s LYS 58 Cb 0.09 -1.06 0.01 0.00 -0.52 0.00 0.00 37.83 36.35 3djc s LYS 58 CO 0.84 0.25 -0.07 0.42 -0.92 0.00 0.00 175.35 175.87 3djc s ILE 59 N -1.07 0.68 -0.04 2.17 1.01 -1.26 -0.89 121.20 121.79 3djc s ILE 59 Ca 0.02 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3djc s ILE 59 Cb -0.09 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.75 3djc s ILE 59 CO 0.02 0.23 -0.09 0.00 0.00 0.00 0.00 174.94 175.11 3djc s ALA 60 N 0.47 0.93 -0.05 9.38 0.00 -0.21 -1.30 121.76 130.98 3djc s ALA 60 Ca -0.07 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3djc s ALA 60 Cb -0.11 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.60 3djc s ALA 60 CO 0.01 0.10 -0.13 0.42 0.00 0.00 0.00 175.76 176.16 3djc s ILE 61 N 0.50 1.11 -0.05 0.00 1.01 0.73 -1.44 121.20 123.06 3djc s ILE 61 Ca -0.09 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3djc s ILE 61 Cb -0.12 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3djc s ILE 61 CO 0.01 0.34 -0.25 0.00 0.00 0.00 0.00 174.94 175.04 3djc s SER 63 N -0.24 1.51 0.00 0.00 0.15 -1.26 -0.95 113.70 112.91 3djc s SER 63 Ca -0.01 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3djc s SER 63 Cb -0.13 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3djc s SER 63 CO 0.03 -0.08 0.32 0.55 1.20 0.00 0.00 173.24 175.25 3djc n VAL 64 N 1.42 0.00 -3.98 4.45 3.14 -0.55 -4.10 118.33 118.70 3djc n VAL 64 Ca -0.21 -0.34 -0.31 0.00 -2.96 0.00 0.00 64.34 60.52 3djc n VAL 64 Cb 0.54 1.31 -0.15 0.00 -1.06 0.00 0.00 33.84 34.48 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3djc s VAL 65 N -0.04 1.91 -0.39 1.55 1.01 -1.24 -4.97 120.40 118.23 3djc s VAL 65 Ca 0.00 -1.80 0.25 0.00 0.00 0.00 0.00 61.98 60.43 3djc s VAL 65 Cb 0.00 -2.26 0.27 0.00 0.00 0.00 0.00 36.38 34.39 3djc s VAL 65 CO 0.00 -0.35 1.76 -0.65 0.00 0.00 0.00 175.10 175.85 3djc h PRO 66 N 7.79 0.00 0.00 2.72 0.11 -1.96 -2.88 132.00 137.79 3djc h PRO 66 Ca -0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 3djc h PRO 66 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3djc h PRO 66 CO 0.47 0.00 -0.28 1.96 -0.21 0.00 0.00 178.00 179.95 3djc h GLN 67 N 0.00 0.00 0.00 1.05 1.08 -2.00 -3.03 115.11 112.21 3djc h GLN 67 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3djc h GLN 67 Cb 0.39 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 3djc h GLN 67 CO 0.00 0.28 -0.67 0.28 -0.95 0.00 0.00 178.83 177.77 3djc h VAL 68 N 0.00 0.48 -0.99 -0.54 2.07 -1.84 -3.39 116.25 112.04 3djc h VAL 68 Ca -0.00 -1.75 0.23 0.00 0.82 0.00 0.00 66.70 66.01 3djc h VAL 68 Cb 1.02 2.12 -0.09 0.00 -1.52 0.00 0.00 31.29 32.83 3djc h VAL 68 CO 0.04 0.28 0.64 0.44 0.02 0.00 0.00 177.57 178.98 3djc h ASP 69 N 0.00 0.48 0.01 0.57 3.32 -1.58 -2.87 116.42 116.35 3djc h ASP 69 Ca -0.04 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3djc h ASP 69 Cb 1.29 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3djc h ASP 69 CO 0.04 0.14 -0.00 0.22 -1.72 0.00 0.00 179.24 177.92 3djc h TYR 70 N 0.46 -0.01 -0.09 4.55 3.20 -1.76 -3.14 116.97 120.18 3djc h TYR 70 Ca 0.55 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.33 3djc h TYR 70 Cb 1.30 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 3djc h TYR 70 CO -0.00 0.68 -0.35 0.77 -1.64 0.00 0.00 178.16 177.61 3djc h SER 71 N -0.98 0.17 0.47 -2.11 0.02 -1.82 -1.28 113.55 108.02 3djc h SER 71 Ca -0.00 -0.06 -0.23 0.00 -0.84 0.00 0.00 61.79 60.66 3djc h SER 71 Cb 0.69 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3djc h SER 71 CO 0.00 0.52 -0.98 0.25 -1.14 0.00 0.00 176.83 175.49 3djc h LEU 72 N 0.15 0.43 -0.75 5.07 5.85 -1.67 -0.71 115.31 123.68 3djc h LEU 72 Ca 0.02 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 3djc h LEU 72 Cb 0.70 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3djc h LEU 72 CO 0.05 1.18 -0.30 -0.09 -0.34 0.00 0.00 178.44 178.95 3djc h ARG 73 N 0.16 0.62 0.00 1.25 2.43 -1.47 -3.10 114.38 114.27 3djc h ARG 73 Ca -0.08 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 58.73 3djc h ARG 73 Cb 1.63 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 3djc h ARG 73 CO 0.16 0.85 -0.46 1.03 -1.51 0.00 0.00 179.97 180.04 3djc h SER 74 N 0.53 0.00 -0.34 -3.80 0.87 -1.14 -3.27 113.55 106.40 3djc h SER 74 Ca 0.07 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 3djc h SER 74 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3djc h SER 74 CO 0.06 0.46 -0.23 0.00 -0.53 0.00 0.00 176.83 176.60 3djc h ALA 75 N 1.54 0.82 -0.33 6.23 0.00 -1.05 -2.40 119.26 124.07 3djc h ALA 75 Ca -0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3djc h ALA 75 Cb 0.95 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3djc h ALA 75 CO 0.06 0.64 -0.45 0.00 0.00 0.00 0.00 179.25 179.51 3djc h VAL 77 N 0.69 1.25 -0.01 0.00 2.07 -1.55 0.11 116.25 118.81 3djc h VAL 77 Ca 0.04 -0.94 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 3djc h VAL 77 Cb 1.04 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3djc h VAL 77 CO 0.10 0.35 -0.38 0.50 0.02 0.00 0.00 177.57 178.17 3djc h LYS 78 N 0.90 0.28 -0.00 1.57 3.64 -1.37 -3.10 116.57 118.48 3djc h LYS 78 Ca 0.19 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3djc h LYS 78 Cb 0.38 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3djc h LYS 78 CO 0.01 0.98 -0.72 0.66 -2.27 0.00 0.00 179.45 178.11 3djc n TYR 79 N -4.40 0.00 0.00 1.91 4.01 0.10 -4.55 117.16 114.24 3djc n TYR 79 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3djc n TYR 79 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.28 0.00 -3.32 -0.72 3.01 -0.10 -5.02 117.46 110.02 3djc n PHE 80 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.25 3djc n PHE 80 Cb 0.25 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.74 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 -0.45 -5.00 -4.11 4.37 7.64 0.18 -4.96 113.62 111.28 3djc n SER 81 Ca 0.00 -0.41 -0.33 0.00 1.01 0.00 0.00 58.87 59.14 3djc n SER 81 Cb 0.00 -4.06 -0.16 0.00 -1.01 0.00 0.00 64.21 58.98 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 -3.11 2.02 -0.34 0.44 1.01 -0.90 -4.93 121.20 115.40 3djc s ILE 82 Ca 0.41 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3djc s ILE 82 Cb -0.20 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3djc s ILE 82 CO 0.51 0.53 1.29 -0.62 0.00 0.00 0.00 174.94 176.66 3djc s ASP 83 N 1.28 6.62 0.59 3.58 3.68 -1.26 -3.27 116.67 127.89 3djc s ASP 83 Ca 0.04 1.06 -0.13 0.00 2.13 0.00 0.00 52.55 55.65 3djc s ASP 83 Cb -0.13 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.75 3djc s ASP 83 CO -0.12 -1.15 1.02 -2.16 0.13 0.00 0.00 175.17 172.89 3djc s PRO 84 N 4.31 3.63 0.03 4.34 0.04 -1.26 -4.87 135.00 141.22 3djc s PRO 84 Ca 0.56 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3djc s PRO 84 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3djc s PRO 84 CO 0.25 -0.54 1.09 0.12 0.04 0.00 0.00 177.00 177.96 3djc s PHE 85 N -2.89 3.55 -0.25 0.56 5.36 -0.42 -4.94 117.98 118.95 3djc s PHE 85 Ca 0.58 1.50 -0.05 0.00 -0.96 0.00 0.00 56.93 58.00 3djc s PHE 85 Cb -0.11 -3.27 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 3djc s PHE 85 CO 0.44 -0.65 0.01 -0.51 -1.46 0.00 0.00 175.22 173.05 3djc s LEU 86 N 1.02 3.30 -1.08 6.12 2.01 -1.26 -0.19 118.68 128.59 3djc s LEU 86 Ca 0.55 -0.54 -0.23 0.00 0.01 0.00 0.00 54.13 53.92 3djc s LEU 86 Cb -0.25 -1.79 -0.07 0.00 0.01 0.00 0.00 46.19 44.08 3djc s LEU 86 CO 0.29 -0.09 1.94 -0.22 1.01 0.00 0.00 176.35 179.27 3djc s LEU 87 N 1.48 3.09 0.00 1.79 2.96 -0.82 -4.90 118.68 122.28 3djc s LEU 87 Ca 0.04 -1.32 0.01 0.00 -0.22 0.00 0.00 54.13 52.64 3djc s LEU 87 Cb -0.16 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 43.97 3djc s LEU 87 CO -0.01 -2.96 0.09 0.00 -1.32 0.00 0.00 176.35 172.15 3djc n GLN 88 N 8.49 1.31 -2.28 1.98 6.02 -1.26 -4.69 117.38 126.95 3djc n GLN 88 Ca 0.43 -1.56 -0.42 0.00 -0.01 0.00 0.00 57.00 55.44 3djc n GLN 88 Cb 0.47 0.30 -0.03 0.00 1.02 0.00 0.00 30.24 32.00 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 -2.36 3.58 0.00 -1.58 0.00 -1.26 -3.60 121.76 116.53 3djc s ALA 89 Ca 0.06 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3djc s ALA 89 Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3djc s ALA 89 CO 0.04 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3djc n GLY 90 N 3.63 0.81 3.95 0.00 0.00 -1.26 -5.11 105.19 107.21 3djc n GLY 90 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 4.05 -0.28 1.61 -7.23 -1.24 -5.04 120.40 110.28 3djc s VAL 91 Ca 0.00 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 3djc s VAL 91 Cb 0.00 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 3djc s VAL 91 CO 0.00 -0.37 1.46 -0.75 -0.31 0.00 0.00 175.10 175.13 3djc s LYS 92 N -4.57 3.82 -0.07 4.82 2.20 -1.26 -4.84 119.74 119.84 3djc s LYS 92 Ca 0.48 1.39 0.10 0.00 -0.36 0.00 0.00 55.97 57.58 3djc s LYS 92 Cb -0.10 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 32.11 3djc s LYS 92 CO 0.38 -1.26 0.11 0.25 -0.36 0.00 0.00 175.35 174.48 3djc n THR 93 N 6.41 0.44 -1.68 3.43 -2.24 -1.26 -4.80 114.28 114.58 3djc n THR 93 Ca 0.17 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 3djc n THR 93 Cb 0.46 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 2.20 0.38 3.14 3.38 0.00 -1.26 -4.87 105.19 108.16 3djc n GLY 94 Ca -0.11 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 3djc n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3djc s LEU 95 N -0.59 1.17 -0.43 0.99 0.05 -1.26 -4.88 118.68 113.72 3djc s LEU 95 Ca 0.00 0.22 -0.21 0.00 0.05 0.00 0.00 54.13 54.19 3djc s LEU 95 Cb 0.00 0.87 0.02 0.00 -2.05 0.00 0.00 46.19 45.03 3djc s LEU 95 CO 0.00 -0.23 0.69 0.20 -0.55 0.00 0.00 176.35 176.46 3djc s ASN 96 N -0.55 6.37 -0.28 1.48 -0.87 -1.12 -4.94 114.94 115.03 3djc s ASN 96 Ca -0.06 -0.17 -0.29 0.00 -1.57 0.00 0.00 52.86 50.76 3djc s ASN 96 Cb -0.04 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.86 3djc s ASN 96 CO 0.01 -0.79 1.08 -0.63 -2.57 0.00 0.00 177.10 174.20 3djc s ILE 97 N 2.96 4.55 -0.39 0.60 1.01 -1.26 -1.22 121.20 127.45 3djc s ILE 97 Ca 0.25 1.82 0.11 0.00 0.00 0.00 0.00 60.65 62.84 3djc s ILE 97 Cb -0.13 -4.34 0.66 0.00 0.01 0.00 0.00 42.46 38.65 3djc s ILE 97 CO 0.19 -0.35 1.52 0.29 0.00 0.00 0.00 174.94 176.60 3djc n LYS 98 N 6.67 4.07 -1.81 2.79 4.01 0.56 -4.88 118.16 129.57 3djc n LYS 98 Ca 0.12 -2.55 -0.33 0.00 -0.51 0.00 0.00 58.31 55.04 3djc n LYS 98 Cb 0.47 -2.12 0.04 0.00 -0.51 0.00 0.00 35.03 32.90 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 -2.44 2.77 0.13 2.13 1.51 -1.26 -4.91 117.35 115.28 3djc s TYR 99 Ca 0.44 1.53 -0.19 0.00 -1.01 0.00 0.00 57.07 57.84 3djc s TYR 99 Cb 0.34 -3.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.08 3djc s TYR 99 CO 0.13 -1.48 1.74 0.00 -1.11 0.00 0.00 175.55 174.83 3djc h ARG 100 N 0.04 0.15 -4.55 -0.62 -0.00 -1.98 -3.37 114.38 104.06 3djc h ARG 100 Ca -0.46 -0.01 -0.64 0.00 -0.50 0.00 0.00 59.98 58.36 3djc h ARG 100 Cb 1.23 -0.03 -0.39 0.00 0.00 0.00 0.00 29.97 30.78 3djc h ARG 100 CO 0.55 0.10 -0.76 1.21 0.00 0.00 0.00 179.97 181.07 3djc s ASN 101 N -5.29 4.39 0.12 7.04 2.47 -1.26 -5.00 114.94 117.40 3djc s ASN 101 Ca -0.13 -1.66 0.09 0.00 0.42 0.00 0.00 52.86 51.58 3djc s ASN 101 Cb 0.10 -1.43 0.47 0.00 -1.45 0.00 0.00 41.25 38.94 3djc s ASN 101 CO 0.69 -0.29 1.28 -2.65 -3.72 0.00 0.00 177.10 172.40 3djc n PRO 102 N 4.46 0.05 0.05 0.43 -0.02 -1.26 -1.48 135.00 137.23 3djc n PRO 102 Ca -0.06 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.87 3djc n PRO 102 Cb 0.42 -1.67 0.06 0.00 -0.02 0.00 0.00 33.50 32.30 3djc n PRO 102 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3djc h VAL 103 N 0.00 1.37 0.00 -1.45 2.07 -1.96 -3.27 116.25 113.01 3djc h VAL 103 Ca 0.00 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 3djc h VAL 103 Cb 0.03 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3djc h VAL 103 CO 0.00 0.61 -0.02 -0.33 0.02 0.00 0.00 177.57 177.85 3djc h GLU 104 N 0.26 0.00 -6.30 1.57 5.08 -1.70 -3.40 114.58 110.09 3djc h GLU 104 Ca -0.02 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.78 3djc h GLU 104 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3djc h GLU 104 CO 0.11 0.02 1.08 0.08 -1.00 0.00 0.00 179.01 179.31 3djc s VAL 105 N -4.56 3.82 0.64 3.13 1.01 -1.24 -5.00 120.40 118.21 3djc s VAL 105 Ca -0.05 0.93 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 3djc s VAL 105 Cb 0.15 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3djc s VAL 105 CO 0.56 -0.35 1.12 -0.83 0.00 0.00 0.00 175.10 175.60 3djc s GLY 106 N 3.82 2.24 0.45 4.51 0.00 -1.26 -4.91 107.32 112.16 3djc s GLY 106 Ca 0.67 0.60 0.16 0.00 0.00 0.00 0.00 44.72 46.15 3djc s GLY 106 CO 0.27 0.96 1.97 0.00 0.00 0.00 0.00 173.10 176.30 3djc h ALA 107 N 0.20 2.11 -0.67 3.20 0.00 -1.87 -2.17 119.26 120.06 3djc h ALA 107 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3djc h ALA 107 Cb 1.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3djc h ALA 107 CO 0.54 -0.26 0.20 0.38 0.00 0.00 0.00 179.25 180.11 3djc h ASP 108 N 0.35 0.99 0.46 0.00 -0.00 -1.91 -1.63 116.42 114.68 3djc h ASP 108 Ca 0.29 -0.21 -0.15 0.00 -0.00 0.00 0.00 57.03 56.96 3djc h ASP 108 Cb 0.68 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.74 3djc h ASP 108 CO -0.08 0.94 -0.64 0.03 -0.00 0.00 0.00 179.24 179.50 3djc h ARG 109 N 0.99 0.17 -0.07 4.15 2.47 -1.77 -2.30 114.38 118.02 3djc h ARG 109 Ca 0.22 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3djc h ARG 109 Cb 0.31 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3djc h ARG 109 CO -0.00 0.75 -0.20 0.82 0.56 0.00 0.00 179.97 181.89 3djc h ILE 110 N 0.12 1.42 -0.69 2.04 2.04 -1.45 -2.57 117.51 118.43 3djc h ILE 110 Ca -0.01 -1.57 0.12 0.00 1.00 0.00 0.00 64.86 64.40 3djc h ILE 110 Cb 1.15 2.27 -0.08 0.00 -0.74 0.00 0.00 36.82 39.41 3djc h ILE 110 CO 0.09 0.44 0.27 0.00 0.00 0.00 0.00 178.15 178.96 3djc h ALA 111 N 0.46 0.93 -1.00 1.87 0.00 -1.28 0.02 119.26 120.26 3djc h ALA 111 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3djc h ALA 111 Cb 0.82 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3djc h ALA 111 CO 0.04 -0.19 0.66 -0.91 0.00 0.00 0.00 179.25 178.85 3djc h ASN 112 N 0.44 1.10 0.80 0.00 -0.26 -1.43 -2.82 115.58 113.40 3djc h ASN 112 Ca 0.36 -0.01 -0.21 0.00 -0.56 0.00 0.00 56.30 55.88 3djc h ASN 112 Cb 0.50 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 3djc h ASN 112 CO -0.36 0.75 -0.98 0.00 -1.06 0.00 0.00 177.43 175.78 3djc h ALA 113 N 1.41 0.40 -0.07 -0.83 0.00 -0.80 -0.41 119.26 118.95 3djc h ALA 113 Ca 0.40 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3djc h ALA 113 Cb -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3djc h ALA 113 CO -0.12 1.08 0.03 0.82 0.00 0.00 0.00 179.25 181.06 3djc h ILE 114 N 0.04 1.12 0.00 0.00 2.04 -1.03 -2.79 117.51 116.88 3djc h ILE 114 Ca -0.04 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 3djc h ILE 114 Cb 1.68 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3djc h ILE 114 CO 0.14 0.10 -0.26 0.00 0.00 0.00 0.00 178.15 178.13 3djc h ALA 115 N 0.90 0.90 -0.22 1.87 0.00 -1.49 -1.94 119.26 119.28 3djc h ALA 115 Ca 0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3djc h ALA 115 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3djc h ALA 115 CO -0.00 0.32 -0.49 0.00 0.00 0.00 0.00 179.25 179.08 3djc h ALA 116 N 1.74 0.36 0.00 0.00 0.00 -1.08 -2.89 119.26 117.39 3djc h ALA 116 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3djc h ALA 116 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3djc h ALA 116 CO 0.03 0.53 -0.42 1.79 0.00 0.00 0.00 179.25 181.18 3djc h THR 117 N 0.44 0.00 0.10 0.00 1.35 -1.45 -2.71 112.91 110.64 3djc h THR 117 Ca 0.00 -0.74 -0.28 0.00 -0.55 0.00 0.00 66.41 64.84 3djc h THR 117 Cb 1.10 1.50 0.02 0.00 -1.73 0.00 0.00 68.15 69.04 3djc h THR 117 CO 0.11 0.00 -1.18 -0.74 -0.25 0.00 0.00 175.52 173.46 3djc h HIS 118 N 0.00 0.82 -0.01 4.73 6.17 -1.39 -2.89 115.15 122.58 3djc h HIS 118 Ca 0.00 -0.51 -0.24 0.00 0.71 0.00 0.00 60.37 60.32 3djc h HIS 118 Cb 0.87 -0.07 0.01 0.00 2.52 0.00 0.00 27.41 30.75 3djc h HIS 118 CO 0.00 1.36 -0.97 0.77 0.71 0.00 0.00 177.93 179.80 3djc h SER 119 N 0.23 0.74 -2.84 3.26 0.02 -1.55 -3.38 113.55 110.03 3djc h SER 119 Ca -0.15 -0.58 -0.60 0.00 -0.84 0.00 0.00 61.79 59.62 3djc h SER 119 Cb 1.85 -0.22 -0.40 0.00 0.14 0.00 0.00 62.40 63.77 3djc h SER 119 CO 0.21 1.38 -0.80 -0.36 -1.14 0.00 0.00 176.83 176.12 3djc s PHE 120 N -3.34 1.93 0.00 3.45 0.08 -1.02 -5.07 117.98 114.00 3djc s PHE 120 Ca -0.08 -2.56 0.00 0.00 0.12 0.00 0.00 56.93 54.41 3djc s PHE 120 Cb 0.08 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3djc s PHE 120 CO 0.89 -0.74 0.76 -2.30 -0.10 0.00 0.00 175.22 173.74 3djc n PRO 121 N 2.87 0.00 -1.88 0.24 -0.02 -1.09 -3.88 135.00 131.24 3djc n PRO 121 Ca 0.21 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 3djc n PRO 121 Cb 0.40 -1.26 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 3djc n PRO 121 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3djc n ASN 122 N -1.56 7.28 -4.01 2.55 4.13 -1.26 -4.86 115.26 117.54 3djc n ASN 122 Ca 0.00 -3.33 -0.15 0.00 1.68 0.00 0.00 54.58 52.78 3djc n ASN 122 Cb 0.00 -1.25 -0.13 0.00 -1.54 0.00 0.00 39.78 36.86 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3djc s GLN 123 N -2.18 0.49 -0.15 3.52 -0.21 -1.25 -4.93 119.66 114.95 3djc s GLN 123 Ca 0.54 -0.45 -0.29 0.00 0.02 0.00 0.00 55.36 55.18 3djc s GLN 123 Cb 0.30 -0.38 -0.02 0.00 1.00 0.00 0.00 33.01 33.91 3djc s GLN 123 CO -0.19 0.09 1.23 -0.80 -2.12 0.00 0.00 175.29 173.50 3djc s ASN 124 N -0.77 6.98 -0.10 5.90 0.01 -1.26 -3.78 114.94 121.92 3djc s ASN 124 Ca -0.03 1.69 0.02 0.00 -0.71 0.00 0.00 52.86 53.83 3djc s ASN 124 Cb -0.06 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3djc s ASN 124 CO 0.00 -0.72 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.08 3djc s ILE 125 N 3.21 2.78 -0.34 0.60 1.01 0.84 -1.12 121.20 128.18 3djc s ILE 125 Ca 0.54 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 3djc s ILE 125 Cb -0.22 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3djc s ILE 125 CO 0.15 0.55 0.22 -0.63 0.00 0.00 0.00 174.94 175.23 3djc s ILE 126 N 0.02 5.06 -0.02 2.92 1.01 -1.06 0.13 121.20 129.26 3djc s ILE 126 Ca -0.06 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 3djc s ILE 126 Cb -0.15 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3djc s ILE 126 CO 0.05 -0.01 0.53 0.54 0.00 0.00 0.00 174.94 176.04 3djc s VAL 127 N 1.68 4.97 -0.36 2.92 0.11 -0.87 -1.52 120.40 127.34 3djc s VAL 127 Ca 0.05 1.09 0.04 0.00 -2.93 0.00 0.00 61.98 60.23 3djc s VAL 127 Cb -0.17 -3.85 0.10 0.00 -1.53 0.00 0.00 36.38 30.92 3djc s VAL 127 CO 0.09 0.45 0.07 -0.63 -3.33 0.00 0.00 175.10 171.75 3djc s ILE 128 N -0.32 2.28 -0.63 7.04 1.01 -0.03 -1.78 121.20 128.77 3djc s ILE 128 Ca 0.28 -2.42 -0.26 0.00 0.00 0.00 0.00 60.65 58.25 3djc s ILE 128 Cb -0.17 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.65 3djc s ILE 128 CO 0.15 -0.62 1.12 -0.62 0.00 0.00 0.00 174.94 174.97 3djc s ASP 129 N 0.80 6.30 -0.95 3.58 3.68 -1.05 -0.78 116.67 128.26 3djc s ASP 129 Ca 0.12 -0.32 -0.22 0.00 2.13 0.00 0.00 52.55 54.25 3djc s ASP 129 Cb -0.20 -2.51 0.08 0.00 -1.45 0.00 0.00 42.92 38.84 3djc s ASP 129 CO -0.08 -1.51 1.30 -0.36 0.13 0.00 0.00 175.17 174.66 3djc s PHE 130 N 4.78 2.71 0.00 -5.34 0.40 0.24 -1.11 117.98 119.66 3djc s PHE 130 Ca 0.34 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.73 3djc s PHE 130 Cb -0.10 -4.53 0.00 0.00 0.51 0.00 0.00 43.02 38.90 3djc s PHE 130 CO 0.19 -1.78 0.00 0.41 0.70 0.00 0.00 175.22 174.73 3djc n GLY 131 N 6.22 4.89 0.09 4.36 0.00 -1.26 -1.53 105.19 117.96 3djc n GLY 131 Ca 0.26 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 1.02 -2.40 2.61 2.02 -1.98 -3.38 112.91 110.81 3djc h THR 132 Ca 0.00 -0.07 -0.54 0.00 0.77 0.00 0.00 66.41 66.57 3djc h THR 132 Cb 0.00 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 3djc h THR 132 CO 0.00 0.04 -0.57 0.00 0.37 0.00 0.00 175.52 175.36 3djc s ALA 133 N -6.18 3.48 -0.39 6.16 0.00 -1.26 -1.67 121.76 121.89 3djc s ALA 133 Ca -0.13 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 3djc s ALA 133 Cb 0.08 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3djc s ALA 133 CO 0.68 0.34 0.28 0.99 0.00 0.00 0.00 175.76 178.06 3djc s THR 134 N -2.02 5.26 0.11 0.00 2.01 0.38 -4.49 115.64 116.89 3djc s THR 134 Ca 0.32 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3djc s THR 134 Cb -0.08 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3djc s THR 134 CO 0.23 -0.23 0.10 0.42 -0.69 0.00 0.00 174.62 174.44 3djc s THR 135 N 1.69 4.48 -0.03 -0.82 -4.23 -0.27 0.21 115.64 116.67 3djc s THR 135 Ca 0.05 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3djc s THR 135 Cb -0.19 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.45 3djc s THR 135 CO 0.10 0.03 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.77 3djc s PHE 136 N -1.52 0.91 -0.05 3.99 0.40 0.80 -2.51 117.98 120.00 3djc s PHE 136 Ca 0.30 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 3djc s PHE 136 Cb -0.11 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.76 3djc s PHE 136 CO 0.22 -0.12 -0.03 0.00 0.70 0.00 0.00 175.22 175.99 3djc s ALA 138 N 1.07 3.23 -0.06 0.00 0.00 0.29 -2.05 121.76 124.24 3djc s ALA 138 Ca -0.09 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 3djc s ALA 138 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3djc s ALA 138 CO -0.01 -0.26 -0.01 0.42 0.00 0.00 0.00 175.76 175.90 3djc s ILE 139 N 0.87 0.41 0.75 0.00 1.01 0.12 -1.97 121.20 122.39 3djc s ILE 139 Ca 0.53 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 3djc s ILE 139 Cb -0.24 -0.54 0.04 0.00 0.01 0.00 0.00 42.46 41.73 3djc s ILE 139 CO 0.29 0.25 1.10 -0.94 0.00 0.00 0.00 174.94 175.64 3djc s SER 140 N 1.71 5.02 0.21 3.58 1.04 -0.24 -0.11 113.70 124.91 3djc s SER 140 Ca 0.01 1.20 0.23 0.00 0.48 0.00 0.00 55.95 57.87 3djc s SER 140 Cb -0.13 -1.96 0.92 0.00 0.10 0.00 0.00 66.02 64.95 3djc s SER 140 CO -0.04 -1.62 1.69 0.00 0.98 0.00 0.00 173.24 174.25 3djc n HIS 141 N -3.19 0.71 -0.36 5.02 1.44 -1.25 -1.35 115.22 116.23 3djc n HIS 141 Ca 0.07 0.27 -0.05 0.00 -2.01 0.00 0.00 57.72 55.99 3djc n HIS 141 Cb 0.57 -0.93 0.20 0.00 0.12 0.00 0.00 29.99 29.95 3djc n HIS 141 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3djc n LYS 142 N -2.13 2.73 -3.08 -1.40 5.02 -1.26 -4.42 118.16 113.62 3djc n LYS 142 Ca 0.03 -2.04 -0.22 0.00 -2.02 0.00 0.00 58.31 54.06 3djc n LYS 142 Cb 0.25 -1.90 0.01 0.00 -0.02 0.00 0.00 35.03 33.37 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 -0.07 -3.95 -3.26 1.97 5.02 -0.46 -4.78 118.16 112.63 3djc n LYS 143 Ca 0.29 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.88 3djc n LYS 143 Cb 1.08 -5.49 -0.08 0.00 -0.02 0.00 0.00 35.03 30.52 3djc n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3djc s ALA 144 N -3.03 3.49 -0.64 7.82 0.00 -1.23 -2.81 121.76 125.37 3djc s ALA 144 Ca 0.30 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 3djc s ALA 144 Cb -0.15 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 3djc s ALA 144 CO 0.37 -1.14 1.64 -0.47 0.00 0.00 0.00 175.76 176.16 3djc s TYR 145 N 2.33 1.91 -0.20 0.00 5.04 -0.36 -1.08 117.35 125.00 3djc s TYR 145 Ca 0.18 0.49 0.17 0.00 -2.44 0.00 0.00 57.07 55.46 3djc s TYR 145 Cb -0.16 -4.29 0.07 0.00 0.35 0.00 0.00 41.96 37.94 3djc s TYR 145 CO 0.13 -2.22 1.36 -0.07 -1.34 0.00 0.00 175.55 173.41 3djc h LEU 146 N 14.99 0.00 0.00 6.97 3.38 -1.68 0.16 115.31 139.14 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 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3djc h LEU 146 CO 1.23 0.42 0.00 0.61 0.09 0.00 0.00 178.44 180.79 3djc n GLY 147 N 1.23 0.13 0.00 0.83 0.00 -1.22 -4.70 105.19 101.46 3djc n GLY 147 Ca 0.01 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.82 3.08 -0.02 0.00 -1.26 0.11 105.19 106.28 3djc n GLY 148 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 0.28 -0.09 4.61 0.00 -0.34 -4.98 121.76 120.23 3djc s ALA 149 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3djc s ALA 149 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3djc s ALA 149 CO 0.00 -0.33 -0.18 -1.50 0.00 0.00 0.00 175.76 173.75 3djc s ILE 150 N -3.18 1.62 0.20 0.00 2.07 -1.26 -0.14 121.20 120.51 3djc s ILE 150 Ca 0.00 -0.76 0.10 0.00 -1.41 0.00 0.00 60.65 58.59 3djc s ILE 150 Cb 0.02 -1.43 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 3djc s ILE 150 CO -0.07 0.46 -0.15 -0.76 -1.91 0.00 0.00 174.94 172.51 3djc s LEU 151 N 0.53 2.75 0.44 8.50 1.43 0.13 -4.98 118.68 127.48 3djc s LEU 151 Ca -0.16 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 51.94 3djc s LEU 151 Cb -0.17 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 3djc s LEU 151 CO 0.06 0.09 1.37 -2.16 0.23 0.00 0.00 176.35 175.94 3djc s PRO 152 N -2.93 3.77 1.21 1.29 0.04 -1.26 -0.47 135.00 136.65 3djc s PRO 152 Ca 0.25 2.29 -0.20 0.00 0.04 0.00 0.00 61.00 63.38 3djc s PRO 152 Cb -0.08 -2.67 0.29 0.00 0.04 0.00 0.00 34.50 32.08 3djc s PRO 152 CO 0.14 -0.70 1.12 0.20 0.04 0.00 0.00 177.00 177.79 3djc s GLY 153 N -0.64 1.59 0.23 0.56 0.00 -0.67 -4.20 107.32 104.20 3djc s GLY 153 Ca 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3djc s GLY 153 CO 0.52 -0.09 1.58 1.41 0.00 0.00 0.00 173.10 176.52 3djc h LEU 154 N -2.59 0.50 -0.06 0.66 -0.00 -1.81 -0.57 115.31 111.43 3djc h LEU 154 Ca -0.44 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.88 57.10 3djc h LEU 154 Cb 1.29 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 3djc h LEU 154 CO 0.33 0.90 -0.35 0.03 -0.00 0.00 0.00 178.44 179.34 3djc h ARG 155 N 0.37 0.35 -0.07 1.13 2.47 -1.87 -3.22 114.38 113.54 3djc h ARG 155 Ca 0.02 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.40 3djc h ARG 155 Cb 0.97 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3djc h ARG 155 CO 0.08 0.94 -0.16 -0.07 0.56 0.00 0.00 179.97 181.32 3djc h LEU 156 N -0.14 0.10 -1.01 3.04 3.38 -1.76 -0.22 115.31 118.70 3djc h LEU 156 Ca -0.03 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3djc h LEU 156 Cb 1.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3djc h LEU 156 CO 0.07 0.27 -0.37 0.28 0.09 0.00 0.00 178.44 178.79 3djc h SER 157 N 0.10 0.25 0.36 -0.43 0.02 -1.19 -2.16 113.55 110.50 3djc h SER 157 Ca 0.02 -0.09 -0.32 0.00 -0.84 0.00 0.00 61.79 60.55 3djc h SER 157 Cb 0.35 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3djc h SER 157 CO 0.02 0.60 -1.58 0.00 -1.14 0.00 0.00 176.83 174.74 3djc h ALA 158 N 1.41 0.18 -0.19 3.77 0.00 -1.41 -3.34 119.26 119.68 3djc h ALA 158 Ca 0.02 -1.08 -0.08 0.00 0.00 0.00 0.00 54.91 53.78 3djc h ALA 158 Cb 0.75 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3djc h ALA 158 CO 0.06 1.04 -0.22 -0.44 0.00 0.00 0.00 179.25 179.69 3djc h ASP 159 N 0.09 0.34 -0.80 0.00 3.45 -1.11 -3.19 116.42 115.21 3djc h ASP 159 Ca -0.27 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.05 3djc h ASP 159 Cb 2.06 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 40.70 3djc h ASP 159 CO 0.18 0.58 0.33 0.00 -1.57 0.00 0.00 179.24 178.76 3djc h ALA 160 N 1.46 1.07 -0.03 3.45 0.00 -1.51 -2.38 119.26 121.31 3djc h ALA 160 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3djc h ALA 160 Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3djc h ALA 160 CO 0.04 0.66 -0.57 -0.07 0.00 0.00 0.00 179.25 179.32 3djc h LEU 161 N 1.16 0.12 -0.07 0.00 3.38 -1.66 -2.65 115.31 115.58 3djc h LEU 161 Ca 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3djc h LEU 161 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3djc h LEU 161 CO -0.02 0.66 -0.63 -1.54 0.09 0.00 0.00 178.44 177.00 3djc n SER 162 N -3.88 0.74 -0.00 -0.43 3.41 -1.13 -3.37 113.62 108.96 3djc n SER 162 Ca -0.02 -0.57 0.05 0.00 -0.26 0.00 0.00 58.87 58.08 3djc n SER 162 Cb 0.58 0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.38 2.17 -0.16 4.33 4.81 -0.91 -4.55 118.16 122.46 3djc n LYS 163 Ca 0.06 -0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.55 3djc n LYS 163 Cb 0.34 -1.11 0.15 0.00 0.02 0.00 0.00 35.03 34.43 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 -1.51 2.19 -3.96 3.14 3.02 -1.00 -4.99 115.26 112.15 3djc n ASN 164 Ca 0.00 -3.18 -0.13 0.00 -0.03 0.00 0.00 54.58 51.24 3djc n ASN 164 Cb 0.22 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 38.82 3djc n ASN 164 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 165 N -2.85 0.27 0.06 3.41 2.01 -1.22 -5.00 115.64 112.31 3djc s THR 165 Ca 0.32 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 3djc s THR 165 Cb 0.29 -0.29 -0.14 0.00 0.01 0.00 0.00 72.50 72.37 3djc s THR 165 CO 0.01 -0.12 1.32 0.00 -0.69 0.00 0.00 174.62 175.15 3djc h ALA 166 N 5.52 0.28 -2.51 7.40 0.00 -1.92 -3.40 119.26 124.63 3djc h ALA 166 Ca -0.29 -0.42 -0.61 0.00 0.00 0.00 0.00 54.91 53.60 3djc h ALA 166 Cb 1.20 -0.05 -0.42 0.00 0.00 0.00 0.00 17.79 18.53 3djc h ALA 166 CO 0.47 0.31 -0.60 1.63 0.00 0.00 0.00 179.25 181.06 3djc n LYS 167 N -4.34 2.23 -3.60 0.00 5.02 -1.26 -5.01 118.16 111.20 3djc n LYS 167 Ca -0.06 -4.57 -0.02 0.00 -2.02 0.00 0.00 58.31 51.64 3djc n LYS 167 Cb 0.48 -2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 3djc n LYS 167 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3djc s LEU 168 N -2.08 -0.92 0.78 -0.35 0.20 -1.26 -5.14 118.68 109.91 3djc s LEU 168 Ca 0.34 1.33 -0.11 0.00 0.69 0.00 0.00 54.13 56.39 3djc s LEU 168 Cb 0.08 2.14 0.06 0.00 -0.43 0.00 0.00 46.19 48.04 3djc s LEU 168 CO -0.07 -0.19 1.09 -2.16 -0.29 0.00 0.00 176.35 174.72 3djc s PRO 169 N 2.34 2.24 -0.12 0.98 0.04 -1.26 -4.33 135.00 134.89 3djc s PRO 169 Ca -0.07 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 3djc s PRO 169 Cb -0.08 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3djc s PRO 169 CO -0.19 -1.62 0.72 -1.54 0.04 0.00 0.00 177.00 174.42 3djc s SER 170 N -3.50 6.92 0.37 6.66 1.04 -1.26 -4.44 113.70 119.50 3djc s SER 170 Ca 0.61 1.11 0.08 0.00 0.48 0.00 0.00 55.95 58.23 3djc s SER 170 Cb -0.17 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3djc s SER 170 CO 0.56 -0.23 0.18 0.54 0.98 0.00 0.00 173.24 175.26 3djc s VAL 171 N 1.42 2.74 -0.05 5.02 0.11 -1.26 -5.13 120.40 123.25 3djc s VAL 171 Ca 0.36 -1.67 -0.07 0.00 -2.93 0.00 0.00 61.98 57.68 3djc s VAL 171 Cb -0.17 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 3djc s VAL 171 CO 0.15 -0.11 0.21 -0.70 -3.33 0.00 0.00 175.10 171.32 3djc s GLU 172 N -3.89 3.52 -0.61 1.54 2.56 -1.26 -5.01 118.70 115.55 3djc s GLU 172 Ca 0.40 -0.11 -0.25 0.00 0.00 0.00 0.00 54.97 55.01 3djc s GLU 172 Cb -0.00 -3.14 0.04 0.00 2.00 0.00 0.00 34.13 33.03 3djc s GLU 172 CO 0.23 0.71 1.05 0.42 -0.56 0.00 0.00 175.26 177.11 3djc s ILE 173 N -1.17 4.20 0.52 -3.70 -1.09 -1.26 -4.90 121.20 113.79 3djc s ILE 173 Ca 0.22 0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.96 3djc s ILE 173 Cb -0.13 -4.67 0.05 0.00 -1.58 0.00 0.00 42.46 36.13 3djc s ILE 173 CO 0.11 -1.35 0.38 2.30 -1.23 0.00 0.00 174.94 175.15 3djc n ILE 174 N 6.25 0.00 -4.12 2.92 -0.00 -1.26 -5.11 119.36 118.03 3djc n ILE 174 Ca 0.02 -2.05 -0.35 0.00 -0.00 0.00 0.00 62.75 60.37 3djc n ILE 174 Cb 0.48 -0.05 -0.10 0.00 -0.00 0.00 0.00 39.64 39.97 3djc n ILE 174 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 3djc s LYS 175 N -4.12 3.72 -0.03 6.28 2.20 -1.26 -4.89 119.74 121.65 3djc s LYS 175 Ca 0.29 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.61 3djc s LYS 175 Cb -0.02 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 3djc s LYS 175 CO 0.18 0.38 -0.25 -0.08 -0.36 0.00 0.00 175.35 175.23 3djc s THR 176 N 0.04 1.96 -2.35 3.43 -1.32 -1.26 -5.01 115.64 111.13 3djc s THR 176 Ca 0.04 -1.05 0.23 0.00 -1.21 0.00 0.00 61.69 59.70 3djc s THR 176 Cb -0.12 -1.64 0.48 0.00 -1.51 0.00 0.00 72.50 69.71 3djc s THR 176 CO 0.01 0.55 1.60 -0.62 -2.21 0.00 0.00 174.62 173.96 3djc n GLU 177 N 2.59 1.73 -4.34 7.08 -0.58 -1.26 -4.89 120.64 120.97 3djc n GLU 177 Ca -0.16 -1.08 -0.23 0.00 -0.42 0.00 0.00 57.16 55.26 3djc n GLU 177 Cb 0.52 -1.42 -0.13 0.00 -0.57 0.00 0.00 31.44 29.83 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 -1.70 2.32 -0.00 1.62 0.15 -1.26 -5.04 113.70 109.78 3djc s SER 178 Ca 0.34 -0.63 0.15 0.00 0.70 0.00 0.00 55.95 56.51 3djc s SER 178 Cb 0.19 -0.13 -0.17 0.00 -1.71 0.00 0.00 66.02 64.20 3djc s SER 178 CO 0.29 0.05 0.62 1.33 1.20 0.00 0.00 173.24 176.73 3djc n VAL 179 N 1.32 0.00 -3.53 4.45 0.24 -1.26 -4.60 118.33 114.95 3djc n VAL 179 Ca -0.19 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.34 61.55 3djc n VAL 179 Cb 0.54 0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 33.82 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 -2.44 4.97 0.24 3.34 1.01 -1.26 -4.84 120.40 121.42 3djc s VAL 180 Ca 0.05 -3.66 -0.30 0.00 0.00 0.00 0.00 61.98 58.07 3djc s VAL 180 Cb 0.11 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 3djc s VAL 180 CO 0.61 -1.12 1.23 -0.83 0.00 0.00 0.00 175.10 174.99 3djc s GLY 181 N 0.45 2.78 -0.30 4.51 0.00 -1.26 -4.94 107.32 108.56 3djc s GLY 181 Ca 0.28 1.04 0.09 0.00 0.00 0.00 0.00 44.72 46.14 3djc s GLY 181 CO -0.11 1.84 1.51 0.54 0.00 0.00 0.00 173.10 176.88 3djc n ARG 182 N 1.86 1.99 -3.98 2.90 1.74 -1.26 -4.65 116.66 115.26 3djc n ARG 182 Ca 0.03 -3.14 -0.10 0.00 -0.77 0.00 0.00 57.85 53.87 3djc n ARG 182 Cb 0.44 -1.86 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.35 0.01 0.08 0.55 0.15 -1.26 -5.02 113.70 105.86 3djc s SER 183 Ca 0.46 -0.91 -0.16 0.00 0.70 0.00 0.00 55.95 56.04 3djc s SER 183 Cb 0.41 0.47 -0.11 0.00 -1.71 0.00 0.00 66.02 65.07 3djc s SER 183 CO 0.02 -0.95 1.37 0.74 1.20 0.00 0.00 173.24 175.62 3djc h THR 184 N 2.47 1.32 -0.57 6.45 2.02 -1.99 -0.58 112.91 122.04 3djc h THR 184 Ca -0.31 -1.50 0.05 0.00 0.77 0.00 0.00 66.41 65.42 3djc h THR 184 Cb 1.24 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 69.34 3djc h THR 184 CO 0.46 0.47 0.30 0.40 0.37 0.00 0.00 175.52 177.51 3djc h ILE 185 N 0.31 0.97 0.00 3.11 2.04 -1.97 -2.37 117.51 119.60 3djc h ILE 185 Ca 0.03 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3djc h ILE 185 Cb 0.88 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3djc h ILE 185 CO 0.07 0.11 -0.58 -0.33 0.00 0.00 0.00 178.15 177.42 3djc h GLU 186 N 0.58 0.00 -0.49 2.37 5.08 -1.94 -2.88 114.58 117.30 3djc h GLU 186 Ca 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3djc h GLU 186 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3djc h GLU 186 CO -0.16 0.58 0.15 0.77 -1.00 0.00 0.00 179.01 179.34 3djc h SER 187 N 0.00 0.71 -0.24 1.42 0.02 -0.82 -1.67 113.55 112.98 3djc h SER 187 Ca -0.01 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.56 3djc h SER 187 Cb 1.31 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 3djc h SER 187 CO 0.08 0.73 -0.49 -0.29 -1.14 0.00 0.00 176.83 175.72 3djc h ILE 188 N 0.65 1.28 -0.65 3.27 2.10 -1.49 -2.65 117.51 120.02 3djc h ILE 188 Ca 0.16 -1.68 -0.05 0.00 1.08 0.00 0.00 64.86 64.36 3djc h ILE 188 Cb 0.28 1.58 -0.03 0.00 -1.09 0.00 0.00 36.82 37.56 3djc h ILE 188 CO -0.00 0.55 0.20 1.56 -1.08 0.00 0.00 178.15 179.38 3djc h GLN 189 N 0.64 0.98 -0.39 2.19 4.20 -1.48 0.96 115.11 122.21 3djc h GLN 189 Ca 0.03 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 3djc h GLN 189 Cb 1.08 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3djc h GLN 189 CO 0.11 0.84 -0.33 0.77 -0.67 0.00 0.00 178.83 179.55 3djc h SER 190 N 0.95 0.98 -0.09 1.46 0.02 -1.34 -2.93 113.55 112.59 3djc h SER 190 Ca 0.21 -0.45 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3djc h SER 190 Cb 0.27 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3djc h SER 190 CO -0.01 1.22 -0.25 1.23 -1.14 0.00 0.00 176.83 177.88 3djc h GLY 191 N 0.74 0.37 2.00 -3.77 0.00 -1.20 -1.69 103.07 99.53 3djc h GLY 191 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3djc h GLY 191 CO 0.09 0.42 -0.31 -0.39 0.00 0.00 0.00 176.54 176.35 3djc h VAL 192 N -0.12 0.68 0.08 4.60 -1.51 -0.94 -0.45 116.25 118.60 3djc h VAL 192 Ca -0.00 -1.42 -0.00 0.00 -1.23 0.00 0.00 66.70 64.04 3djc h VAL 192 Cb 0.86 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 3djc h VAL 192 CO 0.05 0.30 -0.04 0.22 -1.23 0.00 0.00 177.57 176.88 3djc h TYR 193 N 0.00 -0.10 0.00 5.19 3.20 -1.57 -3.32 116.97 120.36 3djc h TYR 193 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3djc h TYR 193 Cb 0.91 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3djc h TYR 193 CO 0.00 -0.06 0.00 1.88 -1.64 0.00 0.00 178.16 178.34 3djc h TYR 194 N -0.53 0.00 -0.08 -3.82 0.05 -1.41 -2.07 116.97 109.11 3djc h TYR 194 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3djc h TYR 194 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3djc h TYR 194 CO 0.02 0.00 -0.02 0.78 -1.05 0.00 0.00 178.16 177.89 3djc h GLY 195 N 3.12 0.17 2.00 3.88 0.00 -1.24 -2.57 103.07 108.43 3djc h GLY 195 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3djc h GLY 195 CO 0.00 0.13 -0.82 -0.24 0.00 0.00 0.00 176.54 175.60 3djc h VAL 196 N -0.18 1.43 -0.36 4.60 3.04 -1.61 0.58 116.25 123.74 3djc h VAL 196 Ca 0.02 -2.98 0.00 0.00 -1.01 0.00 0.00 66.70 62.73 3djc h VAL 196 Cb 0.42 2.68 -0.02 0.00 -2.01 0.00 0.00 31.29 32.37 3djc h VAL 196 CO 0.01 0.81 0.23 0.25 -1.01 0.00 0.00 177.57 177.86 3djc h LEU 197 N 0.00 0.42 -0.66 3.16 7.12 -1.48 0.11 115.31 123.99 3djc h LEU 197 Ca -0.01 -0.03 -0.14 0.00 0.13 0.00 0.00 57.88 57.83 3djc h LEU 197 Cb 1.61 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.63 3djc h LEU 197 CO 0.11 0.32 -0.51 1.23 -0.13 0.00 0.00 178.44 179.46 3djc h GLY 198 N 0.48 0.45 1.16 3.75 0.00 -1.34 -1.46 103.07 106.11 3djc h GLY 198 Ca 0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3djc h GLY 198 CO -0.03 0.45 0.29 0.00 0.00 0.00 0.00 176.54 177.26 3djc h ALA 199 N 1.13 1.14 -0.02 3.60 0.00 -0.68 -1.27 119.26 123.17 3djc h ALA 199 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3djc h ALA 199 Cb 1.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3djc h ALA 199 CO 0.09 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.91 3djc h LYS 201 N -0.53 0.16 0.32 0.00 1.57 -1.21 0.74 116.57 117.61 3djc h LYS 201 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3djc h LYS 201 Cb 0.66 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3djc h LYS 201 CO 0.01 0.11 -0.15 1.49 -0.57 0.00 0.00 179.45 180.33 3djc h GLU 202 N 0.16 -0.41 -0.25 3.15 4.57 -1.26 -3.09 114.58 117.45 3djc h GLU 202 Ca 0.36 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.63 3djc h GLU 202 Cb 0.59 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3djc h GLU 202 CO -0.53 -0.11 0.18 -0.07 -1.18 0.00 0.00 179.01 177.30 3djc h LEU 203 N -0.73 0.04 0.82 1.64 -0.00 -1.04 -2.13 115.31 113.91 3djc h LEU 203 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 3djc h LEU 203 Cb 0.50 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3djc h LEU 203 CO 0.07 0.03 -0.39 0.40 -0.00 0.00 0.00 178.44 178.55 3djc h ILE 204 N 0.05 0.18 0.00 1.22 2.04 -0.81 -2.51 117.51 117.67 3djc h ILE 204 Ca 0.12 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 3djc h ILE 204 Cb 0.41 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3djc h ILE 204 CO -0.01 0.00 -0.57 0.06 0.00 0.00 0.00 178.15 177.64 3djc h GLN 205 N -1.12 0.00 -0.07 2.37 3.07 -1.43 -0.67 115.11 117.25 3djc h GLN 205 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 3djc h GLN 205 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.40 3djc h GLN 205 CO 0.18 0.57 -0.00 0.00 0.09 0.00 0.00 178.83 179.67 3djc h ARG 206 N 0.00 0.13 -0.49 0.06 2.47 -1.46 -1.90 114.38 113.20 3djc h ARG 206 Ca -0.01 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3djc h ARG 206 Cb 1.12 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 3djc h ARG 206 CO 0.07 0.41 0.10 0.82 0.56 0.00 0.00 179.97 181.94 3djc h ILE 207 N -0.16 1.24 -0.58 2.04 2.04 -1.40 -2.58 117.51 118.12 3djc h ILE 207 Ca 0.02 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.07 3djc h ILE 207 Cb 0.35 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3djc h ILE 207 CO 0.00 0.31 0.39 -0.74 0.00 0.00 0.00 178.15 178.11 3djc h HIS 208 N 0.67 0.51 -0.00 1.37 2.76 -1.06 -0.33 115.15 119.08 3djc h HIS 208 Ca 0.15 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3djc h HIS 208 Cb 0.36 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3djc h HIS 208 CO 0.02 0.27 -0.93 0.72 -1.30 0.00 0.00 177.93 176.72 3djc n HIS 209 N -4.48 0.00 -0.11 5.26 8.25 -0.72 -1.37 115.22 122.05 3djc n HIS 209 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 3djc n HIS 209 Cb 0.27 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.30 3djc n HIS 209 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3djc n GLU 210 N -1.30 0.50 0.01 -0.41 2.13 -0.98 -3.68 120.64 116.92 3djc n GLU 210 Ca 0.05 0.17 -0.20 0.00 0.66 0.00 0.00 57.16 57.83 3djc n GLU 210 Cb 0.35 -1.36 -0.14 0.00 0.27 0.00 0.00 31.44 30.56 3djc n GLU 210 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3djc h ALA 211 N -0.41 0.06 -0.05 4.31 0.00 -1.30 -3.38 119.26 118.49 3djc h ALA 211 Ca -0.52 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.50 3djc h ALA 211 Cb 1.61 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3djc h ALA 211 CO -0.21 0.57 0.00 1.19 0.00 0.00 0.00 179.25 180.79 3djc n PHE 212 N -4.10 0.04 -1.10 0.00 0.99 -1.22 -4.99 117.46 107.08 3djc n PHE 212 Ca -0.20 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.45 57.14 3djc n PHE 212 Cb 0.81 -0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 39.26 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 0.88 -3.74 0.00 4.37 5.03 -1.02 -1.87 115.26 118.91 3djc n ASN 213 Ca 0.10 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.75 3djc n ASN 213 Cb 0.40 -3.01 0.00 0.00 -1.02 0.00 0.00 39.78 36.15 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3djc n GLY 214 N 0.11 0.96 3.83 7.41 0.00 -0.47 -4.87 105.19 112.16 3djc n GLY 214 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3djc n GLY 214 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3djc s ASP 215 N -0.52 3.33 0.14 1.61 -0.00 -0.78 -4.97 116.67 115.48 3djc s ASP 215 Ca 0.00 0.68 -0.35 0.00 -0.00 0.00 0.00 52.55 52.88 3djc s ASP 215 Cb 0.00 -1.04 -0.15 0.00 -0.00 0.00 0.00 42.92 41.72 3djc s ASP 215 CO 0.00 -2.63 1.43 0.00 -0.00 0.00 0.00 175.17 173.97 3djc n GLN 216 N -3.77 1.65 -4.37 8.23 3.00 -1.26 -4.98 117.38 115.87 3djc n GLN 216 Ca 0.10 0.59 -0.27 0.00 -0.01 0.00 0.00 57.00 57.42 3djc n GLN 216 Cb 0.60 -2.28 -0.17 0.00 0.00 0.00 0.00 30.24 28.39 3djc n GLN 216 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 3djc s ILE 217 N 0.55 1.25 -0.16 5.09 2.07 -1.26 -4.15 121.20 124.59 3djc s ILE 217 Ca 0.80 -0.50 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 3djc s ILE 217 Cb -0.80 -1.16 -0.02 0.00 0.13 0.00 0.00 42.46 40.60 3djc s ILE 217 CO 0.44 0.39 -0.08 -0.22 -1.91 0.00 0.00 174.94 173.56 3djc s LEU 218 N 1.03 2.94 -0.25 8.50 2.96 -0.27 -5.03 118.68 128.55 3djc s LEU 218 Ca -0.07 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3djc s LEU 218 Cb -0.15 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.90 3djc s LEU 218 CO -0.01 0.12 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.53 3djc s ILE 219 N 0.61 2.31 0.12 6.68 2.07 -1.26 -2.55 121.20 129.17 3djc s ILE 219 Ca -0.05 -1.48 -0.07 0.00 -1.41 0.00 0.00 60.65 57.64 3djc s ILE 219 Cb -0.15 -2.29 -0.06 0.00 0.13 0.00 0.00 42.46 40.09 3djc s ILE 219 CO 0.03 0.05 0.39 -0.76 -1.91 0.00 0.00 174.94 172.74 3djc s LEU 220 N 1.16 4.29 0.01 8.50 1.02 -0.58 -0.56 118.68 132.52 3djc s LEU 220 Ca -0.06 0.69 0.05 0.00 0.02 0.00 0.00 54.13 54.82 3djc s LEU 220 Cb -0.19 -3.20 -0.02 0.00 0.02 0.00 0.00 46.19 42.80 3djc s LEU 220 CO -0.05 0.09 -0.15 0.00 0.02 0.00 0.00 176.35 176.25 3djc s ALA 221 N -1.57 1.27 0.29 4.21 0.00 0.10 -0.85 121.76 125.22 3djc s ALA 221 Ca 0.38 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.64 3djc s ALA 221 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3djc s ALA 221 CO 0.22 0.29 0.24 -0.08 0.00 0.00 0.00 175.76 176.42 3djc s THR 222 N -0.54 0.00 0.00 0.00 -1.32 0.04 -1.39 115.64 112.42 3djc s THR 222 Ca 0.05 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 3djc s THR 222 Cb -0.07 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 3djc s THR 222 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3djc n GLY 223 N -0.50 -2.49 0.12 6.08 0.00 -1.26 -0.60 105.19 106.54 3djc n GLY 223 Ca 0.05 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 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 0.44 -1.38 -0.02 0.00 -1.65 -3.34 103.07 97.12 3djc h GLY 224 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.21 3djc h GLY 224 CO 0.00 0.98 0.00 0.69 0.00 0.00 0.00 176.54 178.21 3djc n PHE 225 N -3.60 0.47 0.12 5.60 3.01 -1.14 -4.35 117.46 117.57 3djc n PHE 225 Ca -0.12 -0.24 -0.00 0.00 1.01 0.00 0.00 57.45 58.10 3djc n PHE 225 Cb 1.06 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.80 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3djc h ALA 226 N 3.83 1.20 0.00 4.37 0.00 -1.78 -3.14 119.26 123.74 3djc h ALA 226 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3djc h ALA 226 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3djc h ALA 226 CO 0.00 0.56 -0.31 0.77 0.00 0.00 0.00 179.25 180.27 3djc h SER 227 N 0.13 0.00 0.22 0.00 0.02 -1.86 -2.90 113.55 109.16 3djc h SER 227 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3djc h SER 227 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3djc h SER 227 CO 0.06 0.31 0.00 0.18 -1.14 0.00 0.00 176.83 176.24 3djc n LEU 228 N -3.68 0.00 -0.19 5.07 4.77 -1.19 -2.42 117.00 119.35 3djc n LEU 228 Ca -0.01 0.39 0.05 0.00 -0.03 0.00 0.00 56.01 56.41 3djc n LEU 228 Cb 0.42 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3djc n LEU 228 CO 0.36 -0.29 0.43 0.49 -1.33 0.00 0.00 177.39 177.05 3djc n PHE 229 N -1.39 0.00 0.95 -1.77 3.72 -1.09 -4.81 117.46 113.06 3djc n PHE 229 Ca 0.03 -0.52 0.11 0.00 -0.05 0.00 0.00 57.45 57.02 3djc n PHE 229 Cb 0.08 -0.09 0.52 0.00 -0.94 0.00 0.00 39.48 39.05 3djc n PHE 229 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3djc n ASP 230 N -0.71 0.00 -0.00 4.37 4.64 -1.02 -3.39 116.55 120.43 3djc n ASP 230 Ca 0.07 0.13 0.05 0.00 -1.38 0.00 0.00 54.79 53.66 3djc n ASP 230 Cb 0.60 -0.35 -0.07 0.00 -1.04 0.00 0.00 41.12 40.25 3djc n ASP 230 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 3djc n LYS 231 N -1.35 1.08 -0.04 -0.67 0.00 -1.26 -4.63 118.16 111.28 3djc n LYS 231 Ca 0.09 -0.07 0.12 0.00 -0.00 0.00 0.00 58.31 58.45 3djc n LYS 231 Cb 0.20 -1.18 0.47 0.00 -0.00 0.00 0.00 35.03 34.52 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 -1.71 1.63 -3.30 -1.58 1.13 -1.22 -4.93 117.38 107.40 3djc n GLN 232 Ca -0.01 -0.94 -0.16 0.00 -1.94 0.00 0.00 57.00 53.96 3djc n GLN 232 Cb 0.24 -1.43 0.08 0.00 0.11 0.00 0.00 30.24 29.24 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 1.12 -0.29 0.13 1.08 0.00 -1.26 -4.96 105.19 101.01 3djc n GLY 233 Ca 0.18 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.86 2.78 -4.49 0.99 7.94 -1.26 -5.01 117.00 114.09 3djc n LEU 234 Ca -0.25 -0.02 -0.23 0.00 -1.11 0.00 0.00 56.01 54.40 3djc n LEU 234 Cb 0.65 -0.93 -0.11 0.00 0.53 0.00 0.00 43.42 43.56 3djc n LEU 234 CO 0.55 0.87 -0.27 -0.72 -1.11 0.00 0.00 177.39 176.71 3djc s TYR 235 N -2.52 2.09 -0.24 1.96 1.13 -1.26 -5.00 117.35 113.51 3djc s TYR 235 Ca -0.34 -0.90 -0.05 0.00 -1.41 0.00 0.00 57.07 54.37 3djc s TYR 235 Cb 0.09 -1.39 -0.17 0.00 -1.10 0.00 0.00 41.96 39.39 3djc s TYR 235 CO 0.61 0.10 -0.13 -0.25 -2.51 0.00 0.00 175.55 173.37 3djc n ASP 236 N -0.76 1.99 -4.11 -0.18 8.00 0.28 -4.98 116.55 116.79 3djc n ASP 236 Ca -0.03 0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.29 3djc n ASP 236 Cb 0.67 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.98 3djc n ASP 236 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3djc s HIS 237 N -2.51 1.58 -0.31 1.24 3.76 -1.16 -5.06 115.29 112.83 3djc s HIS 237 Ca -0.34 -0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 54.05 3djc s HIS 237 Cb 0.10 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.72 3djc s HIS 237 CO 0.60 -0.15 0.11 -1.17 -0.85 0.00 0.00 174.74 173.28 3djc s LEU 238 N 0.05 3.99 -0.51 0.89 0.20 -1.26 -0.72 118.68 121.31 3djc s LEU 238 Ca -0.03 -0.68 0.01 0.00 0.69 0.00 0.00 54.13 54.12 3djc s LEU 238 Cb -0.11 -1.93 0.13 0.00 -0.43 0.00 0.00 46.19 43.86 3djc s LEU 238 CO 0.02 -0.21 0.28 -0.69 -0.29 0.00 0.00 176.35 175.46 3djc s VAL 239 N 1.54 2.94 0.49 1.68 1.01 -0.49 -4.99 120.40 122.58 3djc s VAL 239 Ca 0.03 -2.94 0.20 0.00 0.00 0.00 0.00 61.98 59.27 3djc s VAL 239 Cb -0.17 -3.01 0.36 0.00 0.00 0.00 0.00 36.38 33.55 3djc s VAL 239 CO 0.04 -0.78 2.00 -0.65 0.00 0.00 0.00 175.10 175.70 3djc h PRO 240 N 6.98 0.17 -0.46 2.72 0.11 -1.91 -3.10 132.00 136.50 3djc h PRO 240 Ca -0.06 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.73 3djc h PRO 240 Cb 0.94 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 31.81 3djc h PRO 240 CO 0.67 0.11 -0.33 -0.25 -0.21 0.00 0.00 178.00 177.99 3djc n ASP 241 N -4.43 3.56 -0.06 -2.05 9.92 -1.26 -4.50 116.55 117.72 3djc n ASP 241 Ca 0.09 -3.81 0.04 0.00 -0.53 0.00 0.00 54.79 50.58 3djc n ASP 241 Cb 0.47 -0.55 0.39 0.00 -0.64 0.00 0.00 41.12 40.80 3djc n ASP 241 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3djc h LEU 242 N 1.47 0.55 -0.30 0.64 5.85 -1.94 -3.01 115.31 118.58 3djc h LEU 242 Ca 0.26 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 3djc h LEU 242 Cb 1.40 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3djc h LEU 242 CO 0.53 0.39 -0.15 1.62 -0.34 0.00 0.00 178.44 180.49 3djc h VAL 243 N 0.65 1.29 -0.01 1.05 3.04 -1.87 -2.83 116.25 117.57 3djc h VAL 243 Ca 0.20 -1.26 -0.14 0.00 -1.01 0.00 0.00 66.70 64.49 3djc h VAL 243 Cb 0.01 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 3djc h VAL 243 CO -0.05 0.40 -0.66 -0.07 -1.01 0.00 0.00 177.57 176.18 3djc h LEU 244 N 0.38 0.04 -0.35 3.16 3.38 -1.91 -1.92 115.31 118.09 3djc h LEU 244 Ca 0.07 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3djc h LEU 244 Cb 0.68 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3djc h LEU 244 CO 0.05 0.69 0.12 1.56 0.09 0.00 0.00 178.44 180.95 3djc h GLN 245 N 0.02 0.26 -0.14 1.13 4.20 -1.54 -2.37 115.11 116.68 3djc h GLN 245 Ca -0.01 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 3djc h GLN 245 Cb 1.18 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3djc h GLN 245 CO 0.09 0.17 -0.42 0.78 -0.67 0.00 0.00 178.83 178.78 3djc h GLY 246 N 0.27 0.34 0.99 3.46 0.00 -1.21 -1.48 103.07 105.43 3djc h GLY 246 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3djc h GLY 246 CO -0.16 0.30 0.19 -2.22 0.00 0.00 0.00 176.54 174.65 3djc h ILE 247 N 0.26 1.23 -0.18 2.60 2.04 -1.29 -1.83 117.51 120.35 3djc h ILE 247 Ca 0.02 -0.77 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 3djc h ILE 247 Cb 0.86 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3djc h ILE 247 CO 0.07 0.29 -0.33 0.08 0.00 0.00 0.00 178.15 178.26 3djc h ARG 248 N 0.76 0.54 0.00 2.37 0.11 -1.28 -2.33 114.38 114.55 3djc h ARG 248 Ca 0.18 -0.34 -0.01 0.00 0.10 0.00 0.00 59.98 59.91 3djc h ARG 248 Cb 0.26 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.38 3djc h ARG 248 CO -0.01 0.95 -0.03 -0.07 0.10 0.00 0.00 179.97 180.91 3djc h LEU 249 N 0.19 0.00 0.00 0.08 4.07 -1.25 0.36 115.31 118.76 3djc h LEU 249 Ca 0.01 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 3djc h LEU 249 Cb 0.92 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 3djc h LEU 249 CO 0.07 0.03 -1.31 0.00 -1.08 0.00 0.00 178.44 176.15 3djc h ALA 250 N 1.97 0.66 -0.07 1.53 0.00 -1.30 -1.98 119.26 120.06 3djc h ALA 250 Ca -0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 54.91 53.76 3djc h ALA 250 Cb 0.06 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3djc h ALA 250 CO 0.00 1.08 -0.78 0.00 0.00 0.00 0.00 179.25 179.56 3djc h ALA 251 N 1.28 0.52 -0.50 0.00 0.00 -0.80 -3.03 119.26 116.72 3djc h ALA 251 Ca -0.15 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 3djc h ALA 251 Cb 1.68 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3djc h ALA 251 CO 0.07 0.76 0.04 1.98 0.00 0.00 0.00 179.25 182.10 3djc h MET 252 N 0.30 0.86 0.00 0.00 -1.53 -0.37 -1.23 114.93 112.96 3djc h MET 252 Ca -0.04 -0.25 -0.00 0.00 -3.44 0.00 0.00 59.70 55.97 3djc h MET 252 Cb 1.37 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 32.33 3djc h MET 252 CO 0.14 0.87 -0.00 0.52 0.14 0.00 0.00 176.91 178.58 3djc h MET 253 N 0.73 0.00 -0.01 0.39 2.86 -1.41 -3.21 114.93 114.28 3djc h MET 253 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3djc h MET 253 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3djc h MET 253 CO 0.02 0.00 -0.04 0.09 1.06 0.00 0.00 176.91 178.04 3djc n ASN 254 N -3.10 1.30 -4.47 1.22 3.02 -0.99 -4.91 115.26 107.33 3djc n ASN 254 Ca -0.02 -1.15 -0.30 0.00 -0.03 0.00 0.00 54.58 53.08 3djc n ASN 254 Cb 0.14 0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.64 2.80 -2.00 3.41 2.01 -0.50 -5.05 115.64 115.67 3djc s THR 255 Ca 0.06 -1.39 0.24 0.00 0.31 0.00 0.00 61.69 60.91 3djc s THR 255 Cb 0.05 -2.25 0.67 0.00 0.01 0.00 0.00 72.50 70.99 3djc s THR 255 CO 0.09 0.19 1.78 0.00 -0.69 0.00 0.00 174.62 175.99