#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dem n MET 8 N 0.00 0.17 -3.70 -3.83 2.81 -1.26 -4.62 117.12 106.69 3dem n MET 8 Ca 0.00 0.03 -0.07 0.00 -1.81 0.00 0.00 57.70 55.84 3dem n MET 8 Cb 0.00 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 30.91 3dem n MET 8 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 3dem s PHE 9 N -3.11 -0.26 0.00 2.03 -0.12 -1.26 0.27 117.98 115.53 3dem s PHE 9 Ca 0.07 -0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 3dem s PHE 9 Cb 0.15 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.18 3dem s PHE 9 CO 0.74 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 175.37 3dem n GLY 10 N -0.42 0.70 3.36 1.99 0.00 -0.51 -4.94 105.19 105.37 3dem n GLY 10 Ca -0.08 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3dem n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dem s GLN 11 N -2.00 1.76 -0.01 1.61 -0.21 -1.26 -1.30 119.66 118.25 3dem s GLN 11 Ca 0.00 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.25 3dem s GLN 11 Cb 0.00 -1.99 -0.00 0.00 1.00 0.00 0.00 33.01 32.02 3dem s GLN 11 CO 0.00 0.50 -0.04 0.42 -2.12 0.00 0.00 175.29 174.05 3dem s ILE 12 N -0.86 0.36 0.14 1.08 1.01 0.25 -4.99 121.20 118.18 3dem s ILE 12 Ca 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.66 3dem s ILE 12 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3dem s ILE 12 CO 0.03 0.11 -0.14 -1.10 0.00 0.00 0.00 174.94 173.84 3dem s GLN 13 N -0.00 1.08 0.59 2.79 -0.21 -1.26 0.18 119.66 122.83 3dem s GLN 13 Ca 0.01 -1.32 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 3dem s GLN 13 Cb -0.03 -0.91 -0.03 0.00 1.00 0.00 0.00 33.01 33.04 3dem s GLN 13 CO -0.00 0.16 1.13 -1.54 -2.12 0.00 0.00 175.29 172.92 3dem s SER 14 N -2.68 5.43 0.11 5.90 1.04 -0.96 -4.95 113.70 117.60 3dem s SER 14 Ca 0.12 2.12 -0.35 0.00 0.48 0.00 0.00 55.95 58.32 3dem s SER 14 Cb -0.03 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.37 3dem s SER 14 CO 0.03 -1.41 1.52 -2.65 0.98 0.00 0.00 173.24 171.71 3dem n PRO 15 N -1.77 1.79 0.00 4.02 -0.02 -1.26 -1.98 135.00 135.78 3dem n PRO 15 Ca 0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3dem n PRO 15 Cb 0.51 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3dem n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dem n GLY 16 N 3.18 2.88 3.54 -1.23 0.00 -1.26 -4.12 105.19 108.18 3dem n GLY 16 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 3dem n GLY 16 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dem n TYR 17 N -2.00 0.91 1.40 1.61 9.36 -0.84 -0.02 117.16 127.58 3dem n TYR 17 Ca 0.00 0.76 0.04 0.00 3.32 0.00 0.00 57.90 62.02 3dem n TYR 17 Cb 0.00 -2.20 0.13 0.00 -0.63 0.00 0.00 39.34 36.65 3dem n TYR 17 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dem n PRO 18 N 1.15 1.45 -1.95 2.98 -0.04 -1.26 -5.02 135.00 132.30 3dem n PRO 18 Ca 0.13 -0.69 -0.29 0.00 -0.04 0.00 0.00 63.50 62.61 3dem n PRO 18 Cb 0.27 -1.18 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 3dem n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dem s ASP 19 N -1.07 5.26 0.38 3.54 1.01 0.97 -4.87 116.67 121.89 3dem s ASP 19 Ca 0.15 1.00 -0.27 0.00 0.71 0.00 0.00 52.55 54.14 3dem s ASP 19 Cb 0.08 -1.75 -0.11 0.00 1.01 0.00 0.00 42.92 42.15 3dem s ASP 19 CO 0.11 -1.43 1.34 -1.54 0.21 0.00 0.00 175.17 173.85 3dem n SER 20 N -3.02 2.95 -4.81 0.27 3.41 -1.26 -4.69 113.62 106.47 3dem n SER 20 Ca 0.07 1.17 -0.33 0.00 -0.26 0.00 0.00 58.87 59.52 3dem n SER 20 Cb 0.58 -1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 62.97 3dem n SER 20 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3dem s TYR 21 N -1.14 3.10 0.71 7.33 -0.85 -0.86 -4.77 117.35 120.87 3dem s TYR 21 Ca 0.57 1.56 -0.11 0.00 -0.52 0.00 0.00 57.07 58.57 3dem s TYR 21 Cb -0.52 -2.99 0.02 0.00 0.38 0.00 0.00 41.96 38.85 3dem s TYR 21 CO 0.61 -0.72 1.07 -1.25 -1.52 0.00 0.00 175.55 173.74 3dem s PRO 22 N -3.49 2.82 0.63 -3.49 0.04 -1.26 -4.89 135.00 125.36 3dem s PRO 22 Ca 0.65 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 3dem s PRO 22 Cb -0.14 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3dem s PRO 22 CO 0.24 -1.19 0.97 -1.54 0.04 0.00 0.00 177.00 175.51 3dem s SER 23 N -3.73 5.52 -1.40 6.66 1.04 -1.26 -4.31 113.70 116.21 3dem s SER 23 Ca 0.59 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.81 3dem s SER 23 Cb -0.15 -1.76 0.03 0.00 0.10 0.00 0.00 66.02 64.25 3dem s SER 23 CO 0.55 -1.17 0.70 0.47 0.98 0.00 0.00 173.24 174.77 3dem n ASP 24 N -2.73 -1.86 -4.31 7.02 8.00 0.25 -4.97 116.55 117.95 3dem n ASP 24 Ca 0.05 -0.87 -0.28 0.00 0.71 0.00 0.00 54.79 54.40 3dem n ASP 24 Cb 0.58 -3.70 -0.14 0.00 -0.02 0.00 0.00 41.12 37.83 3dem n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dem s SER 25 N -4.08 2.90 -0.16 -2.24 1.04 -1.09 -4.98 113.70 105.10 3dem s SER 25 Ca 0.19 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 3dem s SER 25 Cb -0.10 -0.25 0.08 0.00 0.10 0.00 0.00 66.02 65.85 3dem s SER 25 CO 0.84 0.22 0.25 -0.70 0.98 0.00 0.00 173.24 174.83 3dem s GLU 26 N -1.25 0.17 -0.04 4.02 2.12 -1.26 -0.57 118.70 121.88 3dem s GLU 26 Ca 0.10 0.55 0.04 0.00 0.36 0.00 0.00 54.97 56.03 3dem s GLU 26 Cb -0.10 -0.45 -0.00 0.00 0.26 0.00 0.00 34.13 33.85 3dem s GLU 26 CO 0.02 -0.43 -0.17 0.08 -0.54 0.00 0.00 175.26 174.22 3dem s VAL 27 N 2.39 1.42 -0.08 3.70 1.01 -0.68 -5.00 120.40 123.16 3dem s VAL 27 Ca 0.04 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3dem s VAL 27 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3dem s VAL 27 CO -0.10 0.41 -0.21 -0.89 0.00 0.00 0.00 175.10 174.30 3dem s THR 28 N 0.06 2.34 -0.17 3.92 2.01 -1.26 -0.94 115.64 121.61 3dem s THR 28 Ca -0.04 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 3dem s THR 28 Cb -0.12 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 3dem s THR 28 CO 0.02 0.56 -0.10 0.26 -0.69 0.00 0.00 174.62 174.67 3dem s TRP 29 N -0.01 2.87 -0.24 4.92 0.51 0.91 -4.96 118.94 122.94 3dem s TRP 29 Ca -0.07 -0.80 -0.09 0.00 -2.12 0.00 0.00 56.10 53.01 3dem s TRP 29 Cb -0.15 -1.95 -0.04 0.00 -0.81 0.00 0.00 33.47 30.52 3dem s TRP 29 CO 0.05 -0.36 0.13 -0.80 -0.51 0.00 0.00 176.95 175.46 3dem s ASN 30 N 0.81 5.80 -0.22 2.95 0.01 -1.26 -0.57 114.94 122.47 3dem s ASN 30 Ca -0.03 0.01 -0.03 0.00 -0.71 0.00 0.00 52.86 52.10 3dem s ASN 30 Cb -0.15 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.47 3dem s ASN 30 CO 0.01 0.04 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.93 3dem s ILE 31 N 1.22 3.04 -0.07 0.60 1.01 0.11 -5.00 121.20 122.11 3dem s ILE 31 Ca 0.06 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.10 3dem s ILE 31 Cb -0.14 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 3dem s ILE 31 CO 0.05 0.41 -0.23 -0.89 0.00 0.00 0.00 174.94 174.28 3dem s THR 32 N 1.42 1.95 0.33 2.92 2.01 -1.26 -0.84 115.64 122.17 3dem s THR 32 Ca 0.05 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.15 3dem s THR 32 Cb -0.14 -1.67 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 3dem s THR 32 CO -0.05 0.54 -0.05 0.68 -0.69 0.00 0.00 174.62 175.05 3dem s VAL 33 N 0.07 2.53 1.04 3.82 -7.23 -0.52 -4.93 120.40 115.17 3dem s VAL 33 Ca -0.09 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.87 3dem s VAL 33 Cb -0.15 -2.70 0.21 0.00 0.56 0.00 0.00 36.38 34.30 3dem s VAL 33 CO 0.05 -0.23 1.08 -2.84 -0.31 0.00 0.00 175.10 172.85 3dem s PRO 34 N -3.66 0.09 0.43 4.82 0.02 -1.26 -4.82 135.00 130.62 3dem s PRO 34 Ca 0.33 1.05 -0.26 0.00 0.02 0.00 0.00 61.00 62.15 3dem s PRO 34 Cb -0.00 -1.66 -0.08 0.00 0.02 0.00 0.00 34.50 32.78 3dem s PRO 34 CO 0.18 -3.11 1.37 -0.51 -0.33 0.00 0.00 177.00 174.60 3dem s ASP 35 N -2.75 6.05 0.00 2.53 1.01 -1.26 -2.77 116.67 119.49 3dem s ASP 35 Ca 0.67 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.73 3dem s ASP 35 Cb -0.23 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.05 3dem s ASP 35 CO 0.61 -1.04 0.00 0.61 0.21 0.00 0.00 175.17 175.56 3dem n GLY 36 N 0.61 0.73 3.31 0.21 0.00 -1.26 -4.78 105.19 104.01 3dem n GLY 36 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3dem n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dem s PHE 37 N -2.56 1.91 0.42 1.61 0.08 -1.12 -1.03 117.98 117.29 3dem s PHE 37 Ca 0.00 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.71 3dem s PHE 37 Cb 0.00 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 3dem s PHE 37 CO 0.00 0.24 0.21 1.03 -0.10 0.00 0.00 175.22 176.60 3dem s ARG 38 N -1.94 2.26 -0.15 0.44 0.52 0.92 -3.72 118.95 117.28 3dem s ARG 38 Ca 0.08 -1.84 -0.04 0.00 -0.52 0.00 0.00 55.73 53.41 3dem s ARG 38 Cb -0.10 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 3dem s ARG 38 CO 0.05 -0.16 -0.01 0.42 0.02 0.00 0.00 175.30 175.61 3dem s ILE 39 N -2.60 4.11 -0.16 1.52 -1.09 -1.25 -0.20 121.20 121.53 3dem s ILE 39 Ca 0.41 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 3dem s ILE 39 Cb 0.03 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.08 3dem s ILE 39 CO 0.23 0.50 -0.04 -0.75 -1.23 0.00 0.00 174.94 173.65 3dem s LYS 40 N 0.20 3.64 -0.05 2.79 2.20 -0.43 -0.90 119.74 127.19 3dem s LYS 40 Ca -0.01 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.10 3dem s LYS 40 Cb -0.13 -2.92 0.01 0.00 -1.51 0.00 0.00 37.83 33.27 3dem s LYS 40 CO 0.02 0.20 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.93 3dem s LEU 41 N 0.47 1.68 0.18 5.43 2.96 0.40 -1.78 118.68 128.01 3dem s LEU 41 Ca -0.04 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3dem s LEU 41 Cb -0.14 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 3dem s LEU 41 CO 0.03 0.05 0.20 -0.72 -1.32 0.00 0.00 176.35 174.59 3dem s TYR 42 N 0.50 0.76 -0.00 5.38 -0.85 -0.60 0.20 117.35 122.72 3dem s TYR 42 Ca -0.10 -1.08 0.07 0.00 -0.52 0.00 0.00 57.07 55.44 3dem s TYR 42 Cb -0.14 -0.29 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 3dem s TYR 42 CO 0.02 -0.68 -0.22 -0.06 -1.52 0.00 0.00 175.55 173.09 3dem s PHE 43 N -4.06 2.00 -0.13 -3.49 0.08 -1.26 -1.12 117.98 110.01 3dem s PHE 43 Ca 0.27 -0.38 0.18 0.00 0.12 0.00 0.00 56.93 57.11 3dem s PHE 43 Cb 0.05 -1.27 -0.26 0.00 -0.57 0.00 0.00 43.02 40.97 3dem s PHE 43 CO 0.06 -0.01 0.43 -1.33 -0.10 0.00 0.00 175.22 174.27 3dem n MET 44 N 2.38 0.64 -3.71 0.44 2.81 -0.17 -4.85 117.12 114.66 3dem n MET 44 Ca -0.16 -0.14 -0.12 0.00 -1.81 0.00 0.00 57.70 55.48 3dem n MET 44 Cb 0.52 -1.41 -0.11 0.00 -0.71 0.00 0.00 33.22 31.52 3dem n MET 44 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3dem s HIS 45 N -3.15 -0.53 -0.19 2.03 5.65 -1.22 -4.96 115.29 112.92 3dem s HIS 45 Ca -0.05 1.20 -0.04 0.00 0.25 0.00 0.00 55.06 56.42 3dem s HIS 45 Cb 0.12 0.22 0.09 0.00 -1.18 0.00 0.00 32.58 31.82 3dem s HIS 45 CO 0.73 -0.29 0.28 0.12 -0.65 0.00 0.00 174.74 174.93 3dem s PHE 46 N 0.92 -0.48 -0.36 3.88 5.36 -1.26 -1.24 117.98 124.80 3dem s PHE 46 Ca -0.06 0.69 0.01 0.00 -0.96 0.00 0.00 56.93 56.62 3dem s PHE 46 Cb -0.06 -0.13 0.15 0.00 -0.34 0.00 0.00 43.02 42.64 3dem s PHE 46 CO -0.07 -0.53 0.26 1.21 -1.46 0.00 0.00 175.22 174.63 3dem s ASN 47 N 2.42 2.40 0.31 6.13 3.84 0.25 -2.30 114.94 127.99 3dem s ASN 47 Ca 0.06 -2.18 0.07 0.00 0.21 0.00 0.00 52.86 51.02 3dem s ASN 47 Cb -0.14 -0.20 -0.06 0.00 -0.55 0.00 0.00 41.25 40.30 3dem s ASN 47 CO -0.12 -0.28 -0.06 -0.76 -2.79 0.00 0.00 177.10 173.09 3dem s LEU 48 N 1.01 2.57 0.22 3.21 1.02 -0.05 -1.41 118.68 125.25 3dem s LEU 48 Ca 0.20 -1.22 -0.31 0.00 0.02 0.00 0.00 54.13 52.82 3dem s LEU 48 Cb -0.18 -0.76 -0.11 0.00 0.02 0.00 0.00 46.19 45.16 3dem s LEU 48 CO -0.02 -0.32 1.65 -0.70 0.02 0.00 0.00 176.35 176.97 3dem s GLU 49 N -3.70 4.15 -0.08 1.70 2.12 -1.26 -3.27 118.70 118.36 3dem s GLU 49 Ca 0.31 2.53 -0.21 0.00 0.36 0.00 0.00 54.97 57.97 3dem s GLU 49 Cb 0.04 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 3dem s GLU 49 CO 0.14 -0.68 0.58 0.45 -0.54 0.00 0.00 175.26 175.22 3dem s SER 50 N 0.97 6.86 0.25 -1.70 0.15 -1.26 -2.17 113.70 116.80 3dem s SER 50 Ca 0.70 1.02 -0.15 0.00 0.70 0.00 0.00 55.95 58.23 3dem s SER 50 Cb -0.48 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 3dem s SER 50 CO 0.36 -0.02 0.53 -0.94 1.20 0.00 0.00 173.24 174.37 3dem s SER 51 N 0.53 -0.13 -0.11 5.45 1.04 -1.26 -4.94 113.70 114.28 3dem s SER 51 Ca 0.31 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.60 3dem s SER 51 Cb -0.17 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 3dem s SER 51 CO 0.15 -1.18 1.88 -0.47 0.98 0.00 0.00 173.24 174.59 3dem s TYR 52 N -3.99 1.60 -1.85 5.02 5.04 -1.26 -2.53 117.35 119.38 3dem s TYR 52 Ca 0.20 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 3dem s TYR 52 Cb -0.02 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.24 3dem s TYR 52 CO 0.08 -4.20 0.00 1.28 -1.34 0.00 0.00 175.55 171.37 3dem n LEU 53 N 8.72 -1.53 -3.87 6.97 4.77 -1.26 -3.08 117.00 127.72 3dem n LEU 53 Ca 0.21 0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 3dem n LEU 53 Cb 0.43 -2.69 0.03 0.00 -2.33 0.00 0.00 43.42 38.87 3dem n LEU 53 CO 0.66 -0.67 0.11 0.00 -1.33 0.00 0.00 177.39 176.16 3dem h GLU 55 N -2.07 0.00 0.00 0.00 4.11 -1.82 -3.41 114.58 111.40 3dem h GLU 55 Ca -0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.86 3dem h GLU 55 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3dem h GLU 55 CO 0.66 0.22 0.00 0.66 0.07 0.00 0.00 179.01 180.62 3dem n TYR 56 N -3.18 0.00 -3.80 2.06 0.53 -1.26 -4.95 117.16 106.56 3dem n TYR 56 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.54 3dem n TYR 56 Cb 0.58 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.84 3dem n TYR 56 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3dem s ASP 57 N -1.00 6.47 0.05 7.72 1.01 -1.26 -4.25 116.67 125.41 3dem s ASP 57 Ca 0.00 0.54 -0.27 0.00 0.71 0.00 0.00 52.55 53.54 3dem s ASP 57 Cb 0.00 -2.09 0.08 0.00 1.01 0.00 0.00 42.92 41.92 3dem s ASP 57 CO 0.00 0.34 0.72 -0.72 0.21 0.00 0.00 175.17 175.72 3dem s TYR 58 N -1.14 -0.51 -0.25 4.23 -0.85 -0.72 -4.70 117.35 113.41 3dem s TYR 58 Ca 0.21 0.51 -0.02 0.00 -0.52 0.00 0.00 57.07 57.25 3dem s TYR 58 Cb -0.13 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.75 3dem s TYR 58 CO 0.10 -0.68 -0.06 0.08 -1.52 0.00 0.00 175.55 173.46 3dem s VAL 59 N -2.81 2.88 -0.20 -3.49 1.01 -0.20 -0.94 120.40 116.65 3dem s VAL 59 Ca -0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3dem s VAL 59 Cb -0.01 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3dem s VAL 59 CO -0.06 0.21 0.02 -0.75 0.00 0.00 0.00 175.10 174.52 3dem s LYS 60 N 1.33 3.68 -0.19 2.72 2.20 0.29 -0.62 119.74 129.15 3dem s LYS 60 Ca 0.00 -0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3dem s LYS 60 Cb -0.17 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3dem s LYS 60 CO -0.05 0.03 -0.09 0.08 -0.36 0.00 0.00 175.35 174.96 3dem s VAL 61 N 0.98 3.08 0.20 4.02 1.01 0.83 -0.84 120.40 129.69 3dem s VAL 61 Ca 0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3dem s VAL 61 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3dem s VAL 61 CO 0.02 0.47 0.41 -1.83 0.00 0.00 0.00 175.10 174.17 3dem s GLU 62 N 1.11 1.36 0.00 2.72 -1.05 -0.11 -0.07 118.70 122.66 3dem s GLU 62 Ca 0.01 -1.14 0.00 0.00 -0.15 0.00 0.00 54.97 53.69 3dem s GLU 62 Cb -0.14 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3dem s GLU 62 CO -0.02 -0.55 0.00 0.25 0.95 0.00 0.00 175.26 175.89 3dem n THR 63 N -0.31 0.00 0.59 1.83 -2.24 0.15 0.21 114.28 114.51 3dem n THR 63 Ca -0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 3dem n THR 63 Cb 0.62 -0.75 0.44 0.00 -2.10 0.00 0.00 70.33 68.55 3dem n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3dem n GLU 64 N -0.38 0.10 -0.17 -0.78 0.00 -1.26 -3.86 120.64 114.29 3dem n GLU 64 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.40 3dem n GLU 64 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 29.78 3dem n GLU 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3dem n ASP 65 N -1.85 0.00 -3.66 -1.84 3.85 -1.26 -5.10 116.55 106.69 3dem n ASP 65 Ca 0.04 -1.19 -0.06 0.00 -0.71 0.00 0.00 54.79 52.87 3dem n ASP 65 Cb 0.27 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 39.93 3dem n ASP 65 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 3dem s GLN 66 N 0.00 0.54 -0.29 0.11 0.74 -1.25 -5.13 119.66 114.38 3dem s GLN 66 Ca 0.00 1.19 -0.25 0.00 0.05 0.00 0.00 55.36 56.35 3dem s GLN 66 Cb 0.00 0.37 0.00 0.00 1.10 0.00 0.00 33.01 34.49 3dem s GLN 66 CO 0.00 -0.19 0.85 0.08 -0.55 0.00 0.00 175.29 175.49 3dem s VAL 67 N 2.17 4.75 -0.03 1.34 1.01 -1.26 0.30 120.40 128.68 3dem s VAL 67 Ca -0.07 1.40 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 3dem s VAL 67 Cb -0.09 -4.19 -0.32 0.00 0.00 0.00 0.00 36.38 31.78 3dem s VAL 67 CO -0.17 -0.24 0.77 -0.07 0.00 0.00 0.00 175.10 175.40 3dem h LEU 68 N 9.49 0.67 -7.00 3.92 3.38 -0.82 -3.48 115.31 121.46 3dem h LEU 68 Ca -0.23 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 56.83 3dem h LEU 68 Cb 1.09 -0.22 -0.20 0.00 0.09 0.00 0.00 40.66 41.42 3dem h LEU 68 CO 0.91 1.73 0.38 0.00 0.09 0.00 0.00 178.44 181.55 3dem s ALA 69 N -2.57 -1.84 -0.06 1.53 0.00 -0.43 -5.01 121.76 113.39 3dem s ALA 69 Ca -0.14 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.20 3dem s ALA 69 Cb 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3dem s ALA 69 CO 0.88 -0.39 -0.06 0.99 0.00 0.00 0.00 175.76 177.17 3dem s THR 70 N -1.46 0.72 0.09 0.00 2.01 -1.26 -0.12 115.64 115.62 3dem s THR 70 Ca -0.05 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.85 3dem s THR 70 Cb -0.00 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 3dem s THR 70 CO 0.03 0.28 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.64 3dem s PHE 71 N 1.13 2.15 0.32 4.92 0.08 0.21 -4.97 117.98 121.81 3dem s PHE 71 Ca -0.07 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 3dem s PHE 71 Cb -0.14 -1.22 0.04 0.00 -0.57 0.00 0.00 43.02 41.13 3dem s PHE 71 CO -0.01 0.21 0.61 0.00 -0.10 0.00 0.00 175.22 175.94 3dem n GLY 73 N -0.43 -0.85 3.45 0.00 0.00 -0.92 -3.13 105.19 103.30 3dem n GLY 73 Ca -0.06 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 3dem n GLY 73 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dem s ARG 74 N -1.16 3.09 0.57 1.61 1.70 -1.21 -0.87 118.95 122.67 3dem s ARG 74 Ca 0.00 -0.65 0.26 0.00 -0.47 0.00 0.00 55.73 54.88 3dem s ARG 74 Cb 0.00 -2.59 1.56 0.00 -0.57 0.00 0.00 34.95 33.35 3dem s ARG 74 CO 0.00 0.40 2.09 1.05 -1.08 0.00 0.00 175.30 177.76 3dem h GLU 75 N 6.11 0.00 0.00 3.89 4.11 -1.76 -2.39 114.58 124.54 3dem h GLU 75 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 3dem h GLU 75 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dem h GLU 75 CO 0.55 0.00 0.00 2.41 0.07 0.00 0.00 179.01 182.04 3dem n THR 76 N -4.01 0.00 -3.02 -1.06 -1.04 -1.26 -4.39 114.28 99.49 3dem n THR 76 Ca 0.02 0.89 -0.27 0.00 -2.04 0.00 0.00 64.05 62.65 3dem n THR 76 Cb 0.34 -1.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 3dem n THR 76 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3dem n THR 77 N -0.49 3.04 -2.55 12.58 -1.04 -1.22 -5.23 114.28 119.38 3dem n THR 77 Ca 0.00 -5.53 0.00 0.00 -2.04 0.00 0.00 64.05 56.48 3dem n THR 77 Cb 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 3dem n THR 77 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3dem n ASP 78 N -0.04 0.00 0.00 8.00 10.43 -0.90 -4.88 116.55 129.16 3dem n ASP 78 Ca 0.31 -0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.58 3dem n ASP 78 Cb 0.39 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.35 3dem n ASP 78 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3dem n GLN 81 N 0.00 0.00 -3.13 -1.24 6.02 -1.26 -4.68 117.38 113.08 3dem n GLN 81 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 3dem n GLN 81 Cb 0.00 -3.80 -0.02 0.00 1.02 0.00 0.00 30.24 27.43 3dem n GLN 81 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3dem s THR 82 N -1.46 4.97 0.32 5.09 -4.23 -1.18 -1.95 115.64 117.19 3dem s THR 82 Ca 0.00 0.12 0.16 0.00 -1.18 0.00 0.00 61.69 60.79 3dem s THR 82 Cb 0.00 -3.77 0.12 0.00 1.34 0.00 0.00 72.50 70.19 3dem s THR 82 CO 0.00 -0.48 1.82 1.55 -0.54 0.00 0.00 174.62 176.97 3dem h PRO 83 N 1.24 0.00 0.00 3.99 0.13 -1.95 -3.48 132.00 131.93 3dem h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3dem h PRO 83 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dem h PRO 83 CO 0.64 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 3dem n GLY 84 N -0.25 3.25 0.72 1.56 0.00 -1.26 -1.90 105.19 107.32 3dem n GLY 84 Ca -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3dem n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dem n GLN 85 N 13.97 1.96 -2.37 1.61 1.13 -1.26 -4.59 117.38 127.83 3dem n GLN 85 Ca 0.00 -1.43 -0.41 0.00 -1.94 0.00 0.00 57.00 53.22 3dem n GLN 85 Cb 0.00 -1.43 -0.04 0.00 0.11 0.00 0.00 30.24 28.88 3dem n GLN 85 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dem s GLU 86 N -1.74 4.54 -0.07 -1.09 0.41 -0.80 -4.95 118.70 115.00 3dem s GLU 86 Ca 0.34 1.92 -0.15 0.00 -0.41 0.00 0.00 54.97 56.67 3dem s GLU 86 Cb 0.19 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.32 3dem s GLU 86 CO 0.28 0.05 0.38 0.08 -0.49 0.00 0.00 175.26 175.57 3dem s VAL 87 N -0.91 5.16 -0.30 2.63 1.01 -1.26 -4.59 120.40 122.14 3dem s VAL 87 Ca 0.47 0.77 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 3dem s VAL 87 Cb -0.34 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3dem s VAL 87 CO 0.43 0.47 0.19 -0.69 0.00 0.00 0.00 175.10 175.50 3dem s VAL 88 N -0.28 5.11 -0.17 2.92 1.01 0.13 -4.92 120.40 124.20 3dem s VAL 88 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3dem s VAL 88 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3dem s VAL 88 CO 0.10 0.15 0.01 -0.22 0.00 0.00 0.00 175.10 175.14 3dem s LEU 89 N 1.71 3.49 0.42 3.92 2.96 -1.26 -0.45 118.68 129.47 3dem s LEU 89 Ca 0.06 -0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 53.70 3dem s LEU 89 Cb -0.17 -1.87 -0.10 0.00 0.50 0.00 0.00 46.19 44.56 3dem s LEU 89 CO 0.10 0.15 0.99 -0.94 -1.32 0.00 0.00 176.35 175.33 3dem s SER 90 N 0.48 6.84 0.26 3.68 1.04 -0.08 -4.97 113.70 120.96 3dem s SER 90 Ca -0.00 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.30 3dem s SER 90 Cb -0.13 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.77 3dem s SER 90 CO 0.02 -0.43 1.66 -0.65 0.98 0.00 0.00 173.24 174.82 3dem h PRO 91 N 2.20 0.42 0.00 4.02 0.11 -1.91 -3.39 132.00 133.45 3dem h PRO 91 Ca -0.49 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.43 3dem h PRO 91 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dem h PRO 91 CO 0.62 0.74 0.00 0.41 -0.21 0.00 0.00 178.00 179.55 3dem n GLY 92 N -0.15 5.34 1.73 -0.55 0.00 -1.26 -4.96 105.19 105.34 3dem n GLY 92 Ca -0.01 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.41 3dem n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dem n SER 93 N 0.00 5.19 -3.97 1.61 3.41 -1.24 -3.79 113.62 114.83 3dem n SER 93 Ca 0.00 -2.81 -0.17 0.00 -0.26 0.00 0.00 58.87 55.64 3dem n SER 93 Cb 0.00 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.14 3dem n SER 93 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3dem s PHE 94 N -2.53 0.57 -0.09 7.33 5.36 -1.26 -1.44 117.98 125.93 3dem s PHE 94 Ca 0.49 -0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 56.30 3dem s PHE 94 Cb 0.37 -0.39 0.04 0.00 -0.34 0.00 0.00 43.02 42.70 3dem s PHE 94 CO 0.15 -0.03 0.20 1.41 -1.46 0.00 0.00 175.22 175.49 3dem s MET 95 N -0.04 0.16 -0.09 10.12 -2.45 -0.02 -4.70 119.30 122.28 3dem s MET 95 Ca 0.01 0.44 0.02 0.00 -1.25 0.00 0.00 55.69 54.91 3dem s MET 95 Cb -0.04 -0.13 -0.02 0.00 1.25 0.00 0.00 34.83 35.89 3dem s MET 95 CO -0.00 -0.15 -0.14 0.45 1.05 0.00 0.00 175.02 176.22 3dem s SER 96 N 1.13 3.95 -0.11 1.11 0.15 0.13 0.10 113.70 120.16 3dem s SER 96 Ca -0.09 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3dem s SER 96 Cb -0.10 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.99 3dem s SER 96 CO -0.07 0.25 -0.15 -0.63 1.20 0.00 0.00 173.24 173.84 3dem s ILE 97 N -0.15 1.52 -0.15 6.45 1.01 0.27 -0.93 121.20 129.21 3dem s ILE 97 Ca -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.00 3dem s ILE 97 Cb -0.14 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3dem s ILE 97 CO 0.03 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.32 3dem s THR 98 N 1.00 2.06 -0.24 2.92 2.01 -0.02 -0.06 115.64 123.29 3dem s THR 98 Ca -0.06 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.86 3dem s THR 98 Cb -0.15 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 3dem s THR 98 CO -0.02 0.55 0.19 0.12 -0.69 0.00 0.00 174.62 174.77 3dem s PHE 99 N 0.99 3.30 -0.03 4.92 5.36 -0.11 -0.55 117.98 131.86 3dem s PHE 99 Ca -0.03 0.25 0.06 0.00 -0.96 0.00 0.00 56.93 56.25 3dem s PHE 99 Cb -0.15 -2.32 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 3dem s PHE 99 CO -0.06 0.01 -0.23 0.50 -1.46 0.00 0.00 175.22 173.98 3dem s ARG 100 N 1.25 2.07 -0.06 10.12 3.52 -0.12 -1.68 118.95 134.05 3dem s ARG 100 Ca 0.09 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.91 3dem s ARG 100 Cb -0.14 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 3dem s ARG 100 CO 0.06 0.42 -0.16 0.45 -0.81 0.00 0.00 175.30 175.25 3dem s SER 101 N -0.32 2.14 0.00 -2.12 0.15 0.26 -1.75 113.70 112.06 3dem s SER 101 Ca 0.03 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.32 3dem s SER 101 Cb -0.11 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 3dem s SER 101 CO 0.01 0.11 0.00 -0.90 1.20 0.00 0.00 173.24 173.66 3dem n ASP 102 N 3.43 0.00 0.11 5.45 5.75 -1.26 -2.35 116.55 127.68 3dem n ASP 102 Ca -0.20 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.71 3dem n ASP 102 Cb 0.53 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.88 3dem n ASP 102 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 3dem h PHE 103 N 0.00 0.00 -2.80 2.11 -5.15 -1.96 0.71 116.94 109.86 3dem h PHE 103 Ca 0.00 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.51 3dem h PHE 103 Cb 0.00 0.00 -0.34 0.00 0.22 0.00 0.00 35.95 35.83 3dem h PHE 103 CO 0.00 0.00 -0.58 -1.54 -2.00 0.00 0.00 178.31 174.19 3dem s SER 104 N -4.72 0.71 -0.76 -0.68 1.04 -1.26 -4.75 113.70 103.29 3dem s SER 104 Ca 0.08 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.84 3dem s SER 104 Cb 0.11 0.53 0.33 0.00 0.10 0.00 0.00 66.02 67.09 3dem s SER 104 CO 0.66 -0.27 1.29 -3.20 0.98 0.00 0.00 173.24 172.70 3dem n ASN 105 N 5.34 5.60 0.25 7.02 4.05 -1.26 -4.85 115.26 131.41 3dem n ASN 105 Ca -0.05 -3.68 0.15 0.00 0.45 0.00 0.00 54.58 51.44 3dem n ASN 105 Cb 0.50 -0.80 0.53 0.00 1.23 0.00 0.00 39.78 41.23 3dem n ASN 105 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 3dem h GLU 106 N 3.51 0.00 0.00 1.20 5.08 -1.97 -2.49 114.58 119.91 3dem h GLU 106 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3dem h GLU 106 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3dem h GLU 106 CO 0.96 0.04 -0.27 0.39 -1.00 0.00 0.00 179.01 179.14 3dem n GLU 107 N -3.14 0.04 -3.16 2.33 4.71 -1.26 -4.97 120.64 115.20 3dem n GLU 107 Ca 0.01 0.02 -0.14 0.00 -0.01 0.00 0.00 57.16 57.04 3dem n GLU 107 Cb 0.38 -1.54 0.07 0.00 -1.01 0.00 0.00 31.44 29.34 3dem n GLU 107 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3dem n ARG 108 N -1.61 -2.89 -2.10 3.49 1.74 -0.94 -4.96 116.66 109.39 3dem n ARG 108 Ca 0.06 0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 3dem n ARG 108 Cb 0.35 -5.52 -0.02 0.00 -1.02 0.00 0.00 32.46 26.25 3dem n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3dem s PHE 109 N -3.35 3.07 -2.45 -1.55 0.40 -1.26 -4.70 117.98 108.13 3dem s PHE 109 Ca 0.34 1.29 0.23 0.00 -0.60 0.00 0.00 56.93 58.19 3dem s PHE 109 Cb -0.04 -3.71 0.67 0.00 0.51 0.00 0.00 43.02 40.45 3dem s PHE 109 CO 0.68 -2.07 1.52 0.25 0.70 0.00 0.00 175.22 176.30 3dem n THR 110 N 1.44 0.21 -3.53 0.64 -2.24 -1.20 -2.03 114.28 107.56 3dem n THR 110 Ca 0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3dem n THR 110 Cb 0.41 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3dem n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dem n GLY 111 N 1.25 0.42 3.20 3.38 0.00 -0.50 -4.65 105.19 108.28 3dem n GLY 111 Ca 0.17 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 3dem n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dem s PHE 112 N 0.00 0.23 -0.11 1.61 -0.12 -1.26 0.84 117.98 119.17 3dem s PHE 112 Ca 0.00 -0.67 -0.01 0.00 -0.05 0.00 0.00 56.93 56.20 3dem s PHE 112 Cb 0.00 -0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.31 3dem s PHE 112 CO 0.00 -0.53 -0.03 0.34 -0.05 0.00 0.00 175.22 174.95 3dem s ASP 113 N -2.88 2.04 0.15 1.98 2.15 -0.37 -2.27 116.67 117.47 3dem s ASP 113 Ca 0.06 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 52.84 3dem s ASP 113 Cb 0.05 -0.65 -0.04 0.00 -0.30 0.00 0.00 42.92 41.98 3dem s ASP 113 CO -0.10 -0.17 -0.17 0.00 -0.17 0.00 0.00 175.17 174.55 3dem s ALA 114 N 1.83 1.89 -0.01 3.66 0.00 0.13 -1.00 121.76 128.25 3dem s ALA 114 Ca 0.04 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.56 3dem s ALA 114 Cb -0.13 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3dem s ALA 114 CO -0.07 0.21 -0.02 -1.01 0.00 0.00 0.00 175.76 174.86 3dem s HIS 115 N -2.07 0.30 0.14 0.00 3.76 -0.27 -0.58 115.29 116.56 3dem s HIS 115 Ca 0.14 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 3dem s HIS 115 Cb -0.05 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 3dem s HIS 115 CO 0.06 -0.04 -0.10 1.52 -0.85 0.00 0.00 174.74 175.32 3dem s TYR 116 N 0.26 1.22 0.05 1.40 -0.85 -0.42 -1.57 117.35 117.45 3dem s TYR 116 Ca -0.02 -0.76 -0.22 0.00 -0.52 0.00 0.00 57.07 55.55 3dem s TYR 116 Cb -0.05 -0.63 0.05 0.00 0.38 0.00 0.00 41.96 41.71 3dem s TYR 116 CO -0.01 0.06 0.52 0.00 -1.52 0.00 0.00 175.55 174.61 3dem s MET 117 N -3.65 1.04 0.29 -3.49 0.23 -0.74 -1.42 119.30 111.57 3dem s MET 117 Ca 0.15 -0.24 -0.29 0.00 -1.03 0.00 0.00 55.69 54.28 3dem s MET 117 Cb 0.02 0.48 -0.09 0.00 -1.53 0.00 0.00 34.83 33.70 3dem s MET 117 CO 0.00 -0.38 1.09 0.00 -2.03 0.00 0.00 175.02 173.70 3dem s ALA 118 N -2.48 3.37 -0.07 3.16 0.00 0.14 -1.32 121.76 124.57 3dem s ALA 118 Ca -0.05 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3dem s ALA 118 Cb -0.01 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3dem s ALA 118 CO -0.02 -0.15 -0.15 0.08 0.00 0.00 0.00 175.76 175.53 3dem s VAL 119 N -1.21 1.33 0.26 0.00 1.01 0.71 -4.91 120.40 117.60 3dem s VAL 119 Ca 0.45 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3dem s VAL 119 Cb -0.31 -1.19 -0.11 0.00 0.00 0.00 0.00 36.38 34.77 3dem s VAL 119 CO 0.39 0.40 1.52 -0.62 0.00 0.00 0.00 175.10 176.79 3dem s ASP 120 N 0.54 6.52 -0.07 3.32 2.15 -1.26 -0.05 116.67 127.81 3dem s ASP 120 Ca -0.14 2.79 -0.30 0.00 0.43 0.00 0.00 52.55 55.33 3dem s ASP 120 Cb -0.16 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 39.82 3dem s ASP 120 CO 0.05 -0.80 1.03 -0.69 -0.17 0.00 0.00 175.17 174.58 3dem s VAL 121 N 0.10 4.71 -0.91 1.11 1.01 -0.20 -4.81 120.40 121.42 3dem s VAL 121 Ca 0.62 1.97 -0.19 0.00 0.00 0.00 0.00 61.98 64.38 3dem s VAL 121 Cb -0.45 -4.27 0.13 0.00 0.00 0.00 0.00 36.38 31.80 3dem s VAL 121 CO 0.44 0.04 1.09 -0.62 0.00 0.00 0.00 175.10 176.05 3dem s ASP 122 N 1.13 6.61 0.52 3.32 -1.08 -1.26 -4.81 116.67 121.10 3dem s ASP 122 Ca 0.50 -2.03 0.23 0.00 -0.52 0.00 0.00 52.55 50.73 3dem s ASP 122 Cb -0.20 -2.39 1.42 0.00 -1.46 0.00 0.00 42.92 40.30 3dem s ASP 122 CO 0.21 -1.05 2.12 -0.33 0.52 0.00 0.00 175.17 176.64 3dem h GLU 123 N 8.80 0.00 0.00 4.34 3.07 -1.92 -1.02 114.58 127.85 3dem h GLU 123 Ca 0.13 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3dem h GLU 123 Cb 1.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 3dem h GLU 123 CO 1.09 0.08 -0.23 0.00 -1.40 0.00 0.00 179.01 178.55 3dem n LYS 125 N -3.60 0.70 0.11 0.00 4.76 -0.52 -5.06 118.16 114.56 3dem n LYS 125 Ca -0.01 0.20 -0.05 0.00 -2.87 0.00 0.00 58.31 55.58 3dem n LYS 125 Cb 0.36 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 3dem n LYS 125 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3dem h GLU 126 N 0.03 -0.32 -5.04 1.97 3.07 -1.20 -3.52 114.58 109.58 3dem h GLU 126 Ca -0.48 0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.18 3dem h GLU 126 Cb 2.00 0.07 -0.11 0.00 -0.84 0.00 0.00 28.75 29.87 3dem h GLU 126 CO 0.02 -0.21 -0.33 1.28 -1.40 0.00 0.00 179.01 178.36 3dem n LEU 132 N -3.91 -0.32 -4.97 1.33 4.77 -1.26 -4.95 117.00 107.71 3dem n LEU 132 Ca -0.04 -0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 55.26 3dem n LEU 132 Cb 0.13 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 3dem n LEU 132 CO 0.10 0.09 0.50 -0.94 -1.33 0.00 0.00 177.39 175.81 3dem s SER 133 N -2.54 4.82 0.30 -1.43 1.04 -1.26 -5.03 113.70 109.61 3dem s SER 133 Ca 0.17 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.33 3dem s SER 133 Cb -0.10 -0.68 -0.11 0.00 0.10 0.00 0.00 66.02 65.23 3dem s SER 133 CO 0.36 -1.52 1.58 0.00 0.98 0.00 0.00 173.24 174.64 3dem h ASP 135 N 4.59 0.15 0.00 0.00 3.58 -1.72 -3.44 116.42 119.59 3dem h ASP 135 Ca -0.48 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 56.74 3dem h ASP 135 Cb 1.22 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.23 3dem h ASP 135 CO 0.77 0.34 0.00 1.41 -2.88 0.00 0.00 179.24 178.89 3dem n HIS 136 N -4.87 0.00 -4.10 0.28 8.25 -1.26 -5.02 115.22 108.50 3dem n HIS 136 Ca -0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.05 3dem n HIS 136 Cb 0.15 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 3dem n HIS 136 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3dem s TYR 137 N 0.00 3.32 -0.11 4.41 2.02 -0.79 -5.01 117.35 121.19 3dem s TYR 137 Ca 0.00 0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 3dem s TYR 137 Cb 0.00 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3dem s TYR 137 CO 0.00 0.42 -0.03 0.00 -1.57 0.00 0.00 175.55 174.38 3dem s HIS 139 N -0.33 2.55 0.14 0.00 0.09 0.51 -4.99 115.29 113.25 3dem s HIS 139 Ca 0.06 -1.53 -0.17 0.00 -0.00 0.00 0.00 55.06 53.42 3dem s HIS 139 Cb -0.12 -1.78 -0.07 0.00 -0.00 0.00 0.00 32.58 30.61 3dem s HIS 139 CO 0.02 -0.76 0.59 1.21 -0.00 0.00 0.00 174.74 175.81 3dem s ASN 140 N 1.36 6.96 0.26 1.40 2.47 -1.26 -1.41 114.94 124.72 3dem s ASN 140 Ca 0.04 1.21 -0.00 0.00 0.42 0.00 0.00 52.86 54.53 3dem s ASN 140 Cb -0.14 -2.34 -0.03 0.00 -1.45 0.00 0.00 41.25 37.30 3dem s ASN 140 CO -0.11 0.15 0.26 -0.72 -3.72 0.00 0.00 177.10 172.96 3dem s TYR 141 N -1.35 1.21 -0.33 0.43 -0.85 -0.95 -4.98 117.35 110.53 3dem s TYR 141 Ca 0.36 -1.37 -0.29 0.00 -0.52 0.00 0.00 57.07 55.25 3dem s TYR 141 Cb -0.17 -0.44 -0.01 0.00 0.38 0.00 0.00 41.96 41.72 3dem s TYR 141 CO 0.20 -0.82 1.61 0.42 -1.52 0.00 0.00 175.55 175.43 3dem s ILE 142 N -3.79 3.70 0.00 -3.49 1.01 -1.26 -2.64 121.20 114.73 3dem s ILE 142 Ca 0.36 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.74 3dem s ILE 142 Cb 0.04 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3dem s ILE 142 CO 0.17 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.22 3dem n GLY 143 N 5.09 0.23 0.00 6.18 0.00 -1.26 -5.01 105.19 110.43 3dem n GLY 143 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3dem n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dem n GLY 144 N -2.00 2.09 3.69 -0.02 0.00 -1.08 -4.43 105.19 103.43 3dem n GLY 144 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 3dem n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dem s TYR 145 N -2.59 -0.24 0.17 1.61 -0.85 -1.26 -2.24 117.35 111.95 3dem s TYR 145 Ca 0.00 -0.06 -0.12 0.00 -0.52 0.00 0.00 57.07 56.36 3dem s TYR 145 Cb 0.00 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.98 3dem s TYR 145 CO 0.00 -0.89 0.37 1.52 -1.52 0.00 0.00 175.55 175.03 3dem s TYR 146 N -3.49 0.20 0.17 -3.49 -0.85 -0.50 -4.98 117.35 104.41 3dem s TYR 146 Ca 0.09 -0.56 0.06 0.00 -0.52 0.00 0.00 57.07 56.14 3dem s TYR 146 Cb -0.03 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 3dem s TYR 146 CO -0.01 -0.79 0.11 0.00 -1.52 0.00 0.00 175.55 173.34 3dem s SER 148 N -3.10 0.91 0.23 0.00 1.04 -0.62 -4.96 113.70 107.20 3dem s SER 148 Ca 0.30 -1.51 0.10 0.00 0.48 0.00 0.00 55.95 55.33 3dem s SER 148 Cb -0.10 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3dem s SER 148 CO 0.22 -1.10 -0.19 0.00 0.98 0.00 0.00 173.24 173.16 3dem s ARG 150 N -3.32 2.00 -0.01 0.00 0.52 -1.26 -4.88 118.95 112.00 3dem s ARG 150 Ca 0.24 1.74 -0.37 0.00 -0.52 0.00 0.00 55.73 56.82 3dem s ARG 150 Cb -0.04 -1.82 -0.16 0.00 0.52 0.00 0.00 34.95 33.45 3dem s ARG 150 CO 0.10 -1.94 1.50 0.34 0.02 0.00 0.00 175.30 175.33 3dem n PHE 151 N -2.91 1.79 -0.05 -0.53 7.35 -1.26 -1.53 117.46 120.32 3dem n PHE 151 Ca 0.13 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3dem n PHE 151 Cb 0.50 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.93 3dem n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dem n GLY 152 N 3.16 0.44 3.63 7.13 0.00 -1.26 -5.07 105.19 113.22 3dem n GLY 152 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3dem n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dem s TYR 153 N -2.13 2.63 -0.10 1.61 2.02 -0.58 -4.72 117.35 116.08 3dem s TYR 153 Ca 0.00 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 3dem s TYR 153 Cb 0.00 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 3dem s TYR 153 CO 0.00 0.59 -0.17 0.42 -1.57 0.00 0.00 175.55 174.82 3dem s ILE 154 N -2.38 1.56 0.09 2.71 1.01 0.12 -4.83 121.20 119.48 3dem s ILE 154 Ca 0.32 -0.70 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 3dem s ILE 154 Cb -0.05 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3dem s ILE 154 CO 0.20 0.45 1.67 -0.22 0.00 0.00 0.00 174.94 177.04 3dem s LEU 155 N 0.75 4.37 1.04 2.97 2.96 -1.26 -0.51 118.68 129.00 3dem s LEU 155 Ca -0.11 2.56 -0.16 0.00 -0.22 0.00 0.00 54.13 56.19 3dem s LEU 155 Cb -0.16 -3.57 0.22 0.00 0.50 0.00 0.00 46.19 43.18 3dem s LEU 155 CO 0.02 -0.90 1.20 -2.28 -1.32 0.00 0.00 176.35 173.07 3dem s HIS 156 N 2.42 1.40 -1.18 5.38 5.65 0.51 -4.89 115.29 124.57 3dem s HIS 156 Ca 0.75 0.51 0.18 0.00 0.25 0.00 0.00 55.06 56.74 3dem s HIS 156 Cb -0.42 -3.70 0.81 0.00 -1.18 0.00 0.00 32.58 28.09 3dem s HIS 156 CO 0.33 -3.04 1.55 0.25 -0.65 0.00 0.00 174.74 173.18 3dem n THR 157 N -4.13 0.67 1.47 0.89 -2.24 -1.26 -1.50 114.28 108.18 3dem n THR 157 Ca 0.12 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.21 3dem n THR 157 Cb 0.59 -0.87 0.60 0.00 -2.10 0.00 0.00 70.33 68.56 3dem n THR 157 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dem n ASP 158 N -1.41 0.69 -1.04 3.42 5.68 -1.26 -4.91 116.55 117.72 3dem n ASP 158 Ca 0.06 -0.85 -0.14 0.00 -0.50 0.00 0.00 54.79 53.36 3dem n ASP 158 Cb 0.18 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 3dem n ASP 158 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3dem n ASN 159 N -0.69 -4.78 0.00 -1.12 3.02 -0.56 -4.75 115.26 106.38 3dem n ASN 159 Ca 0.16 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 3dem n ASN 159 Cb 0.28 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 3dem n ASN 159 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3dem n ARG 160 N -2.41 0.00 -3.17 3.52 0.63 -1.26 -4.27 116.66 109.70 3dem n ARG 160 Ca -0.14 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.55 3dem n ARG 160 Cb 0.47 -0.07 -0.00 0.00 0.45 0.00 0.00 32.46 33.31 3dem n ARG 160 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3dem s THR 161 N -2.00 4.79 -0.29 5.15 -4.23 -1.26 -1.91 115.64 115.89 3dem s THR 161 Ca 0.00 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3dem s THR 161 Cb 0.00 -3.76 0.08 0.00 1.34 0.00 0.00 72.50 70.15 3dem s THR 161 CO 0.00 -0.54 -0.05 0.00 -0.54 0.00 0.00 174.62 173.49 3dem s ARG 163 N 1.03 2.18 0.19 0.00 1.70 0.33 -3.84 118.95 120.54 3dem s ARG 163 Ca -0.01 -1.31 0.04 0.00 -0.47 0.00 0.00 55.73 53.98 3dem s ARG 163 Cb -0.20 -2.53 -0.05 0.00 -0.57 0.00 0.00 34.95 31.60 3dem s ARG 163 CO -0.06 -0.98 -0.06 0.14 -1.08 0.00 0.00 175.30 173.27 3dem s VAL 164 N -2.80 1.15 -0.19 4.99 -7.23 -1.26 0.12 120.40 115.17 3dem s VAL 164 Ca 0.62 -2.06 -0.21 0.00 -1.81 0.00 0.00 61.98 58.52 3dem s VAL 164 Cb -0.07 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3dem s VAL 164 CO 0.40 -0.52 0.66 -1.61 -0.31 0.00 0.00 175.10 173.72 3dem s GLU 165 N -3.80 4.23 -0.03 4.82 0.41 -1.26 -4.66 118.70 118.41 3dem s GLU 165 Ca 0.23 0.68 0.25 0.00 -0.41 0.00 0.00 54.97 55.72 3dem s GLU 165 Cb 0.04 -3.58 0.44 0.00 -1.78 0.00 0.00 34.13 29.25 3dem s GLU 165 CO 0.05 -0.25 1.17 0.00 -0.49 0.00 0.00 175.26 175.74 3dem n SER 167 N 0.35 0.19 -3.58 0.00 7.64 -1.26 -3.61 113.62 113.35 3dem n SER 167 Ca 0.07 -0.60 -0.40 0.00 1.01 0.00 0.00 58.87 58.95 3dem n SER 167 Cb 1.11 0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 65.19 3dem n SER 167 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3dem n ASP 168 N -0.92 5.09 -4.04 6.43 9.92 -1.26 -4.78 116.55 126.99 3dem n ASP 168 Ca 0.00 -2.73 -0.09 0.00 -0.53 0.00 0.00 54.79 51.44 3dem n ASP 168 Cb 0.03 -1.55 -0.09 0.00 -0.64 0.00 0.00 41.12 38.87 3dem n ASP 168 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3dem s ASN 169 N 3.12 0.20 -0.30 -2.24 2.20 -1.26 -5.14 114.94 111.51 3dem s ASN 169 Ca 0.54 -1.00 -0.08 0.00 -0.94 0.00 0.00 52.86 51.38 3dem s ASN 169 Cb 0.15 0.35 0.17 0.00 -2.00 0.00 0.00 41.25 39.92 3dem s ASN 169 CO -0.06 -0.78 0.79 -0.22 -2.94 0.00 0.00 177.10 173.89 3dem s LEU 170 N -2.99 -0.97 -0.35 3.54 2.96 -1.26 -4.52 118.68 115.09 3dem s LEU 170 Ca 0.18 0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 54.73 3dem s LEU 170 Cb 0.06 1.89 -0.01 0.00 0.50 0.00 0.00 46.19 48.63 3dem s LEU 170 CO -0.01 -0.18 0.36 -0.36 -1.32 0.00 0.00 176.35 174.83 3dem s PHE 171 N 2.83 3.21 -0.15 5.38 0.08 0.56 -4.91 117.98 124.98 3dem s PHE 171 Ca 0.08 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.08 3dem s PHE 171 Cb -0.12 -2.67 -0.01 0.00 -0.57 0.00 0.00 43.02 39.65 3dem s PHE 171 CO -0.17 -0.45 0.20 0.25 -0.10 0.00 0.00 175.22 174.95 3dem n THR 172 N 5.24 0.00 -3.10 0.64 -2.24 -1.26 -0.67 114.28 112.89 3dem n THR 172 Ca -0.09 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 3dem n THR 172 Cb 0.49 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 3dem n THR 172 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dem s GLN 173 N -1.00 3.72 0.36 -0.78 -0.21 -1.26 -4.60 119.66 115.88 3dem s GLN 173 Ca 0.01 0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.76 3dem s GLN 173 Cb 0.02 -2.52 0.88 0.00 1.00 0.00 0.00 33.01 32.40 3dem s GLN 173 CO 0.08 0.09 1.82 -0.09 -2.12 0.00 0.00 175.29 175.08 3dem h ARG 174 N 1.52 0.60 -5.20 2.91 2.43 -1.96 -3.41 114.38 111.28 3dem h ARG 174 Ca -0.47 -0.04 -0.36 0.00 -0.81 0.00 0.00 59.98 58.30 3dem h ARG 174 Cb 1.19 -0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 30.44 3dem h ARG 174 CO 0.65 0.40 -0.73 0.95 -1.51 0.00 0.00 179.97 179.73 3dem s THR 175 N -5.66 1.24 0.05 0.20 -4.23 -1.26 -2.28 115.64 103.70 3dem s THR 175 Ca -0.10 -1.92 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 3dem s THR 175 Cb 0.24 -1.71 0.10 0.00 1.34 0.00 0.00 72.50 72.47 3dem s THR 175 CO 0.79 -0.61 1.19 -0.83 -0.54 0.00 0.00 174.62 174.62 3dem s GLY 176 N -2.88 -0.20 -0.04 3.99 0.00 -0.90 -4.98 107.32 102.32 3dem s GLY 176 Ca 0.13 0.21 0.03 0.00 0.00 0.00 0.00 44.72 45.10 3dem s GLY 176 CO 0.02 2.05 -0.13 0.14 0.00 0.00 0.00 173.10 175.18 3dem s VAL 177 N -2.39 1.07 -0.03 1.40 1.01 -1.26 -1.27 120.40 118.93 3dem s VAL 177 Ca 0.20 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3dem s VAL 177 Cb 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3dem s VAL 177 CO -0.00 0.32 -0.11 -0.63 0.00 0.00 0.00 175.10 174.68 3dem s ILE 178 N 0.16 0.90 0.12 2.22 1.01 -0.07 -5.01 121.20 120.54 3dem s ILE 178 Ca -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3dem s ILE 178 Cb -0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3dem s ILE 178 CO 0.01 0.27 0.04 0.42 0.00 0.00 0.00 174.94 175.68 3dem s THR 179 N 0.10 0.19 0.71 2.92 -4.23 -1.26 -0.40 115.64 113.67 3dem s THR 179 Ca -0.02 -1.91 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 3dem s THR 179 Cb -0.08 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.80 3dem s THR 179 CO 0.01 -0.54 1.16 -0.94 -0.54 0.00 0.00 174.62 173.76 3dem s SER 180 N -3.05 4.56 0.25 3.99 1.04 -0.63 -4.91 113.70 114.95 3dem s SER 180 Ca 0.22 2.18 -0.31 0.00 0.48 0.00 0.00 55.95 58.51 3dem s SER 180 Cb 0.07 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.50 3dem s SER 180 CO 0.00 -2.01 1.64 -2.65 0.98 0.00 0.00 173.24 171.21 3dem n PRO 181 N -2.66 2.69 -1.00 4.02 -0.02 -1.26 -2.02 135.00 134.75 3dem n PRO 181 Ca 0.12 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3dem n PRO 181 Cb 0.51 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3dem n PRO 181 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dem n ASP 182 N 2.96 -4.51 -4.56 2.55 2.03 -1.26 -4.35 116.55 109.40 3dem n ASP 182 Ca 0.12 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.96 3dem n ASP 182 Cb 0.35 -2.01 -0.03 0.00 -0.72 0.00 0.00 41.12 38.71 3dem n ASP 182 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3dem n PHE 183 N -2.49 1.06 -0.55 -0.67 7.35 -0.86 -0.41 117.46 120.89 3dem n PHE 183 Ca 0.00 0.73 -0.06 0.00 -0.76 0.00 0.00 57.45 57.36 3dem n PHE 183 Cb 0.25 -2.23 0.22 0.00 0.35 0.00 0.00 39.48 38.08 3dem n PHE 183 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3dem n PRO 184 N 1.25 2.97 -1.65 -7.13 -0.04 -1.26 -5.04 135.00 124.10 3dem n PRO 184 Ca 0.13 -2.33 -0.31 0.00 -0.04 0.00 0.00 63.50 60.96 3dem n PRO 184 Cb 0.27 -1.99 0.04 0.00 -0.04 0.00 0.00 33.50 31.78 3dem n PRO 184 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dem s ASN 185 N -0.66 5.59 0.09 3.54 0.01 0.45 -4.70 114.94 119.27 3dem s ASN 185 Ca 0.42 1.57 -0.36 0.00 -0.71 0.00 0.00 52.86 53.78 3dem s ASN 185 Cb 0.34 -2.49 -0.16 0.00 0.41 0.00 0.00 41.25 39.34 3dem s ASN 185 CO 0.10 -1.30 1.37 -2.65 -1.51 0.00 0.00 177.10 173.11 3dem n PRO 186 N -3.03 1.27 -2.46 -0.60 -0.02 -1.26 -4.66 135.00 124.25 3dem n PRO 186 Ca 0.07 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 3dem n PRO 186 Cb 0.54 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3dem n PRO 186 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3dem s TYR 187 N 0.56 2.97 0.39 6.00 -0.85 -0.76 -4.90 117.35 120.76 3dem s TYR 187 Ca 0.84 1.58 -0.27 0.00 -0.52 0.00 0.00 57.07 58.69 3dem s TYR 187 Cb -0.92 -3.15 -0.11 0.00 0.38 0.00 0.00 41.96 38.16 3dem s TYR 187 CO 0.46 -1.01 1.45 -2.30 -1.52 0.00 0.00 175.55 172.63 3dem n PRO 188 N -0.83 2.51 -1.54 -3.49 -0.02 -1.26 -4.85 135.00 125.53 3dem n PRO 188 Ca 0.09 0.88 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 3dem n PRO 188 Cb 0.51 -2.62 0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3dem n PRO 188 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3dem s LYS 189 N -2.16 2.02 -1.40 -0.52 1.02 -1.25 -4.30 119.74 113.15 3dem s LYS 189 Ca 0.55 0.64 -0.09 0.00 0.02 0.00 0.00 55.97 57.09 3dem s LYS 189 Cb -0.48 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 34.97 3dem s LYS 189 CO 0.62 -1.67 0.59 0.43 -0.92 0.00 0.00 175.35 174.40 3dem n SER 190 N -3.46 -4.58 -4.62 2.83 7.64 0.67 -3.91 113.62 108.19 3dem n SER 190 Ca 0.07 -0.41 -0.24 0.00 1.01 0.00 0.00 58.87 59.30 3dem n SER 190 Cb 0.56 -3.73 -0.09 0.00 -1.01 0.00 0.00 64.21 59.94 3dem n SER 190 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dem s SER 191 N -2.79 4.15 -0.31 6.43 0.01 -1.04 -4.72 113.70 115.44 3dem s SER 191 Ca 0.41 -0.98 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 3dem s SER 191 Cb -0.20 -0.53 0.13 0.00 0.21 0.00 0.00 66.02 65.62 3dem s SER 191 CO 0.50 -0.20 0.23 -0.70 0.41 0.00 0.00 173.24 173.48 3dem s GLU 192 N -3.70 0.36 -0.20 12.44 2.12 -1.26 -1.82 118.70 126.65 3dem s GLU 192 Ca 0.34 -0.58 -0.09 0.00 0.36 0.00 0.00 54.97 55.00 3dem s GLU 192 Cb -0.01 -0.95 -0.05 0.00 0.26 0.00 0.00 34.13 33.39 3dem s GLU 192 CO 0.19 -1.08 0.10 0.00 -0.54 0.00 0.00 175.26 173.93 3dem s LEU 194 N 0.50 3.91 -0.19 0.00 1.43 -1.24 -1.10 118.68 121.98 3dem s LEU 194 Ca 0.06 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 51.96 3dem s LEU 194 Cb -0.12 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3dem s LEU 194 CO -0.00 -0.25 0.05 -0.31 0.23 0.00 0.00 176.35 176.06 3dem s TYR 195 N 1.32 3.16 -0.16 0.29 2.02 -0.06 -4.38 117.35 119.54 3dem s TYR 195 Ca -0.03 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3dem s TYR 195 Cb -0.19 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 3dem s TYR 195 CO -0.00 -0.02 -0.19 0.99 -1.57 0.00 0.00 175.55 174.76 3dem s THR 196 N 0.70 2.27 -0.19 -0.71 2.01 -1.26 -1.01 115.64 117.45 3dem s THR 196 Ca 0.02 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 3dem s THR 196 Cb -0.14 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3dem s THR 196 CO 0.02 0.53 0.02 -0.63 -0.69 0.00 0.00 174.62 173.87 3dem s ILE 197 N 0.99 4.25 -0.31 1.82 1.01 -0.18 -0.33 121.20 128.45 3dem s ILE 197 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3dem s ILE 197 Cb -0.15 -2.91 0.11 0.00 0.01 0.00 0.00 42.46 39.52 3dem s ILE 197 CO -0.05 0.44 0.15 -0.70 0.00 0.00 0.00 174.94 174.78 3dem s GLU 198 N 0.72 0.40 0.80 2.79 2.12 0.15 -1.06 118.70 124.63 3dem s GLU 198 Ca 0.01 -0.87 -0.05 0.00 0.36 0.00 0.00 54.97 54.42 3dem s GLU 198 Cb -0.14 -1.37 0.16 0.00 0.26 0.00 0.00 34.13 33.04 3dem s GLU 198 CO 0.02 -1.07 1.10 -0.51 -0.54 0.00 0.00 175.26 174.27 3dem s LEU 199 N 1.70 2.89 0.34 2.70 1.43 0.93 -4.26 118.68 124.41 3dem s LEU 199 Ca 0.12 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 3dem s LEU 199 Cb -0.18 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 3dem s LEU 199 CO -0.24 -2.19 1.21 -1.61 0.23 0.00 0.00 176.35 173.74 3dem s GLU 200 N -5.38 4.32 0.07 1.70 2.02 -1.26 -4.85 118.70 115.32 3dem s GLU 200 Ca 0.70 1.98 -0.37 0.00 0.02 0.00 0.00 54.97 57.29 3dem s GLU 200 Cb -0.04 -2.97 -0.18 0.00 0.10 0.00 0.00 34.13 31.05 3dem s GLU 200 CO 0.47 -0.13 1.22 -1.91 0.02 0.00 0.00 175.26 174.94 3dem n GLU 201 N 0.65 0.75 0.00 1.61 4.07 -1.26 -1.27 120.64 125.19 3dem n GLU 201 Ca 0.01 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 3dem n GLU 201 Cb 0.44 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 3dem n GLU 201 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dem n GLY 202 N 2.14 2.82 3.79 8.31 0.00 -1.26 -5.06 105.19 115.91 3dem n GLY 202 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3dem n GLY 202 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dem s PHE 203 N -2.67 3.53 -0.10 1.61 0.40 -0.39 -5.03 117.98 115.32 3dem s PHE 203 Ca 0.00 1.72 0.02 0.00 -0.60 0.00 0.00 56.93 58.08 3dem s PHE 203 Cb 0.00 -2.97 0.01 0.00 0.51 0.00 0.00 43.02 40.57 3dem s PHE 203 CO 0.00 -0.05 -0.18 -1.64 0.70 0.00 0.00 175.22 174.05 3dem s MET 204 N -2.31 2.44 -0.12 0.44 -1.94 -1.26 -3.24 119.30 113.31 3dem s MET 204 Ca 0.54 -0.65 -0.25 0.00 -1.71 0.00 0.00 55.69 53.61 3dem s MET 204 Cb -0.18 -1.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.65 3dem s MET 204 CO 0.23 0.01 0.82 0.08 -0.01 0.00 0.00 175.02 176.16 3dem s VAL 205 N 0.77 4.92 -0.18 -6.03 1.01 -0.49 0.09 120.40 120.49 3dem s VAL 205 Ca -0.11 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 3dem s VAL 205 Cb -0.16 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3dem s VAL 205 CO 0.01 0.10 -0.00 0.20 0.00 0.00 0.00 175.10 175.41 3dem s ASN 206 N 1.05 4.98 0.00 3.32 0.02 0.85 -1.21 114.94 123.95 3dem s ASN 206 Ca 0.40 -0.12 0.00 0.00 -1.02 0.00 0.00 52.86 52.13 3dem s ASN 206 Cb -0.17 -1.84 -0.04 0.00 0.02 0.00 0.00 41.25 39.22 3dem s ASN 206 CO 0.16 0.13 0.06 -0.76 0.02 0.00 0.00 177.10 176.71 3dem s LEU 207 N 0.63 3.81 -0.23 0.60 1.43 0.14 -1.53 118.68 123.53 3dem s LEU 207 Ca -0.00 0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3dem s LEU 207 Cb -0.14 -2.24 0.12 0.00 0.03 0.00 0.00 46.19 43.96 3dem s LEU 207 CO 0.02 0.26 0.42 -1.58 0.23 0.00 0.00 176.35 175.71 3dem s GLN 208 N -1.76 0.36 0.40 1.70 0.74 -0.57 -0.87 119.66 119.67 3dem s GLN 208 Ca 0.23 0.82 -0.23 0.00 0.05 0.00 0.00 55.36 56.23 3dem s GLN 208 Cb -0.12 0.00 -0.10 0.00 1.10 0.00 0.00 33.01 33.90 3dem s GLN 208 CO 0.14 -0.45 0.98 -0.06 -0.55 0.00 0.00 175.29 175.35 3dem s PHE 209 N 2.61 3.36 0.16 1.67 0.08 -1.26 -0.73 117.98 123.85 3dem s PHE 209 Ca 0.06 1.66 -0.14 0.00 0.12 0.00 0.00 56.93 58.63 3dem s PHE 209 Cb -0.14 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.37 3dem s PHE 209 CO -0.15 -0.23 0.39 -1.83 -0.10 0.00 0.00 175.22 173.30 3dem s GLU 210 N -2.76 1.17 2.63 0.44 -1.05 -0.80 -4.93 118.70 113.40 3dem s GLU 210 Ca 0.59 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 3dem s GLU 210 Cb -0.15 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3dem s GLU 210 CO 0.20 -0.46 0.00 -3.47 0.95 0.00 0.00 175.26 172.48 3dem n ASP 211 N -0.24 -1.66 -4.74 0.83 -0.08 -1.26 -4.05 116.55 105.34 3dem n ASP 211 Ca -0.11 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.74 3dem n ASP 211 Cb 0.63 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.08 3dem n ASP 211 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3dem n ILE 212 N 0.00 1.37 -3.90 5.18 5.41 -1.26 -4.94 119.36 121.22 3dem n ILE 212 Ca 0.00 -0.34 -0.28 0.00 1.00 0.00 0.00 62.75 63.12 3dem n ILE 212 Cb 0.00 -1.85 -0.16 0.00 -0.71 0.00 0.00 39.64 36.92 3dem n ILE 212 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3dem s PHE 213 N -0.42 1.78 -0.38 1.39 5.36 -1.26 -4.02 117.98 120.44 3dem s PHE 213 Ca 0.61 -1.14 0.04 0.00 -0.96 0.00 0.00 56.93 55.48 3dem s PHE 213 Cb -0.52 -1.35 0.16 0.00 -0.34 0.00 0.00 43.02 40.97 3dem s PHE 213 CO 0.54 -0.63 0.45 0.34 -1.46 0.00 0.00 175.22 174.46 3dem s ASP 214 N 1.61 0.33 -0.13 6.13 2.15 0.15 -4.36 116.67 122.55 3dem s ASP 214 Ca 0.01 -1.26 0.03 0.00 0.43 0.00 0.00 52.55 51.75 3dem s ASP 214 Cb -0.15 1.00 0.01 0.00 -0.30 0.00 0.00 42.92 43.48 3dem s ASP 214 CO -0.08 -0.24 -0.22 -0.63 -0.17 0.00 0.00 175.17 173.83 3dem s ILE 215 N 1.63 2.03 0.14 4.11 1.01 -0.66 -0.86 121.20 128.60 3dem s ILE 215 Ca 0.16 -0.97 -0.34 0.00 0.00 0.00 0.00 60.65 59.49 3dem s ILE 215 Cb -0.12 -1.78 -0.16 0.00 0.01 0.00 0.00 42.46 40.41 3dem s ILE 215 CO -0.06 0.55 1.27 1.21 0.00 0.00 0.00 174.94 177.90 3dem n GLU 216 N 3.90 1.24 -2.88 2.79 2.13 -1.26 -0.51 120.64 126.05 3dem n GLU 216 Ca -0.20 0.44 -0.09 0.00 0.66 0.00 0.00 57.16 57.98 3dem n GLU 216 Cb 0.52 -2.02 -0.03 0.00 0.27 0.00 0.00 31.44 30.18 3dem n GLU 216 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3dem n ASP 217 N 2.30 0.52 -3.97 4.31 5.75 -1.26 -4.00 116.55 120.21 3dem n ASP 217 Ca 0.16 -1.82 -0.17 0.00 -0.01 0.00 0.00 54.79 52.96 3dem n ASP 217 Cb 0.23 0.48 -0.15 0.00 -1.03 0.00 0.00 41.12 40.65 3dem n ASP 217 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3dem s HIS 218 N -2.27 0.55 0.31 2.11 2.46 -1.26 -4.98 115.29 112.20 3dem s HIS 218 Ca 0.11 -0.10 0.33 0.00 0.47 0.00 0.00 55.06 55.86 3dem s HIS 218 Cb 0.01 -0.36 1.53 0.00 -0.13 0.00 0.00 32.58 33.63 3dem s HIS 218 CO 0.08 -0.02 2.06 -1.00 -2.47 0.00 0.00 174.74 173.39 3dem h PRO 219 N 6.05 0.00 0.00 2.88 0.13 -2.03 -3.33 132.00 135.70 3dem h PRO 219 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 3dem h PRO 219 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3dem h PRO 219 CO 0.50 0.07 -1.37 0.39 -0.23 0.00 0.00 178.00 177.36 3dem n GLU 220 N -3.29 1.11 -4.14 0.86 -0.58 -1.26 -5.02 120.64 108.31 3dem n GLU 220 Ca -0.01 0.03 -0.34 0.00 -0.42 0.00 0.00 57.16 56.41 3dem n GLU 220 Cb 0.26 -1.13 -0.10 0.00 -0.57 0.00 0.00 31.44 29.90 3dem n GLU 220 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dem s VAL 221 N -2.13 4.57 -0.27 2.62 1.01 -1.25 -5.05 120.40 119.90 3dem s VAL 221 Ca -0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 3dem s VAL 221 Cb 0.02 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3dem s VAL 221 CO 0.17 0.50 1.95 -2.16 0.00 0.00 0.00 175.10 175.57 3dem s PRO 222 N 0.08 3.32 -1.10 2.72 0.04 -1.26 -4.13 135.00 134.67 3dem s PRO 222 Ca 0.04 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 3dem s PRO 222 Cb -0.13 -4.25 0.03 0.00 0.04 0.00 0.00 34.50 30.19 3dem s PRO 222 CO 0.01 -1.88 0.68 0.00 0.04 0.00 0.00 177.00 175.85 3dem n PRO 224 N -4.26 0.16 0.00 0.00 -0.04 -1.26 -4.61 135.00 124.98 3dem n PRO 224 Ca -0.15 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3dem n PRO 224 Cb 0.60 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3dem n PRO 224 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dem n TYR 225 N -1.96 0.00 -4.35 0.54 4.01 -1.26 -5.08 117.16 109.06 3dem n TYR 225 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 3dem n TYR 225 Cb 0.39 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.34 3dem n TYR 225 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3dem s ASP 226 N -2.99 4.18 -0.15 7.72 1.01 -1.26 -3.91 116.67 121.27 3dem s ASP 226 Ca 0.00 -0.76 -0.34 0.00 0.71 0.00 0.00 52.55 52.16 3dem s ASP 226 Cb 0.00 -0.64 0.13 0.00 1.01 0.00 0.00 42.92 43.42 3dem s ASP 226 CO 0.00 0.03 1.14 -0.72 0.21 0.00 0.00 175.17 175.83 3dem s TYR 227 N -2.29 -0.18 -0.12 4.23 -0.85 -0.68 -4.73 117.35 112.72 3dem s TYR 227 Ca 0.30 0.12 -0.03 0.00 -0.52 0.00 0.00 57.07 56.94 3dem s TYR 227 Cb -0.06 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 3dem s TYR 227 CO 0.17 -0.28 -0.01 0.42 -1.52 0.00 0.00 175.55 174.34 3dem s ILE 228 N -2.53 4.17 0.01 -3.49 1.01 -0.23 -1.06 121.20 119.09 3dem s ILE 228 Ca 0.08 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.53 3dem s ILE 228 Cb -0.01 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3dem s ILE 228 CO -0.06 0.54 -0.24 -0.54 0.00 0.00 0.00 174.94 174.65 3dem s LYS 229 N -0.23 2.03 -0.21 2.79 1.02 0.31 -0.58 119.74 124.87 3dem s LYS 229 Ca 0.05 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.07 3dem s LYS 229 Cb -0.12 -2.07 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 3dem s LYS 229 CO 0.02 0.55 -0.09 0.42 -0.92 0.00 0.00 175.35 175.33 3dem s ILE 230 N -0.74 1.63 -0.25 2.17 1.01 -0.15 -0.07 121.20 124.80 3dem s ILE 230 Ca 0.11 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 3dem s ILE 230 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3dem s ILE 230 CO 0.01 0.10 0.40 -0.75 0.00 0.00 0.00 174.94 174.70 3dem s LYS 231 N 1.39 4.07 -0.07 2.79 2.20 0.52 0.04 119.74 130.67 3dem s LYS 231 Ca -0.03 0.12 -0.00 0.00 -0.36 0.00 0.00 55.97 55.70 3dem s LYS 231 Cb -0.17 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 32.55 3dem s LYS 231 CO -0.08 -0.22 -0.04 0.54 -0.36 0.00 0.00 175.35 175.20 3dem s VAL 232 N 1.89 0.63 0.00 4.02 0.11 -0.16 -1.48 120.40 125.40 3dem s VAL 232 Ca 0.17 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 3dem s VAL 232 Cb -0.15 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 3dem s VAL 232 CO 0.09 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 3dem n GLY 233 N 4.69 1.76 1.66 6.54 0.00 -1.26 -2.67 105.19 115.91 3dem n GLY 233 Ca -0.15 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3dem n GLY 233 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dem n PRO 234 N 6.85 1.61 -3.83 1.61 -0.04 -1.26 -4.89 135.00 135.06 3dem n PRO 234 Ca 0.00 -1.34 -0.13 0.00 -0.04 0.00 0.00 63.50 61.99 3dem n PRO 234 Cb 0.00 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.79 3dem n PRO 234 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3dem s LYS 235 N -1.51 0.00 -0.19 0.54 2.20 -1.09 -5.14 119.74 114.56 3dem s LYS 235 Ca 0.26 0.09 -0.06 0.00 -0.36 0.00 0.00 55.97 55.90 3dem s LYS 235 Cb 0.21 -0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 3dem s LYS 235 CO 0.03 -0.06 0.03 0.08 -0.36 0.00 0.00 175.35 175.07 3dem s VAL 236 N 0.40 4.39 -0.01 4.02 1.01 -1.26 -0.99 120.40 127.96 3dem s VAL 236 Ca -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3dem s VAL 236 Cb -0.05 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3dem s VAL 236 CO -0.01 0.44 0.29 -0.76 0.00 0.00 0.00 175.10 175.06 3dem s LEU 237 N 0.68 4.39 0.00 3.92 1.43 0.11 -4.92 118.68 124.28 3dem s LEU 237 Ca 0.02 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3dem s LEU 237 Cb -0.14 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.49 3dem s LEU 237 CO 0.02 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3dem n GLY 238 N 1.38 -0.47 3.79 -3.19 0.00 -1.26 -0.97 105.19 104.47 3dem n GLY 238 Ca -0.13 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 3dem n GLY 238 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dem s PRO 239 N 0.00 3.43 -0.08 1.61 0.04 -1.26 -5.04 135.00 133.71 3dem s PRO 239 Ca 0.00 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3dem s PRO 239 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3dem s PRO 239 CO 0.00 -0.74 -0.16 -0.06 0.04 0.00 0.00 177.00 176.08 3dem s PHE 240 N -2.13 2.68 0.30 0.56 0.40 0.25 -4.90 117.98 115.15 3dem s PHE 240 Ca 0.67 -0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 56.51 3dem s PHE 240 Cb -0.18 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.69 3dem s PHE 240 CO 0.29 -0.02 0.53 0.00 0.70 0.00 0.00 175.22 176.72 3dem n GLY 242 N -0.45 -1.88 0.42 0.00 0.00 0.33 -4.62 105.19 99.00 3dem n GLY 242 Ca -0.04 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.08 3dem n GLY 242 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dem n GLU 243 N 0.00 1.35 -4.12 1.61 1.02 -1.26 -1.65 120.64 117.60 3dem n GLU 243 Ca 0.00 -0.86 -0.33 0.00 -0.02 0.00 0.00 57.16 55.95 3dem n GLU 243 Cb 0.00 -1.40 -0.16 0.00 -0.02 0.00 0.00 31.44 29.86 3dem n GLU 243 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3dem s LYS 244 N -2.30 2.93 0.55 3.49 2.47 -1.26 -4.67 119.74 120.96 3dem s LYS 244 Ca 0.16 -0.81 -0.19 0.00 -1.56 0.00 0.00 55.97 53.57 3dem s LYS 244 Cb 0.16 -2.53 -0.06 0.00 -1.46 0.00 0.00 37.83 33.94 3dem s LYS 244 CO 0.53 -0.21 1.13 0.00 0.16 0.00 0.00 175.35 176.96 3dem s ALA 245 N 1.30 2.68 0.80 3.13 0.00 -1.26 -4.88 121.76 123.53 3dem s ALA 245 Ca 0.05 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 3dem s ALA 245 Cb -0.13 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.70 3dem s ALA 245 CO -0.13 -0.81 1.17 -1.25 0.00 0.00 0.00 175.76 174.74 3dem s PRO 246 N -3.31 1.78 0.80 0.00 0.04 -1.26 -4.99 135.00 128.06 3dem s PRO 246 Ca 0.73 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 3dem s PRO 246 Cb -0.24 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.57 3dem s PRO 246 CO 0.28 -2.07 1.13 -1.21 0.04 0.00 0.00 177.00 175.17 3dem s GLU 247 N -4.32 1.89 0.39 4.56 0.41 -1.26 -4.68 118.70 115.69 3dem s GLU 247 Ca 0.69 1.41 -0.25 0.00 -0.41 0.00 0.00 54.97 56.42 3dem s GLU 247 Cb -0.25 -1.84 -0.12 0.00 -1.78 0.00 0.00 34.13 30.15 3dem s GLU 247 CO 0.51 -1.96 0.91 -2.30 -0.49 0.00 0.00 175.26 171.94 3dem n PRO 248 N -3.50 1.18 -3.96 0.39 -0.02 -1.26 -4.92 135.00 122.90 3dem n PRO 248 Ca 0.11 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 3dem n PRO 248 Cb 0.52 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.97 3dem n PRO 248 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dem s ILE 249 N -1.27 2.91 -0.48 4.25 1.01 -0.05 -4.97 121.20 122.61 3dem s ILE 249 Ca 0.62 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 3dem s ILE 249 Cb -0.60 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 39.51 3dem s ILE 249 CO 0.57 0.28 0.51 -0.44 0.00 0.00 0.00 174.94 175.87 3dem s SER 250 N 1.36 6.19 0.60 3.58 0.01 -1.26 0.24 113.70 124.41 3dem s SER 250 Ca 0.02 -1.03 -0.04 0.00 1.31 0.00 0.00 55.95 56.21 3dem s SER 250 Cb -0.16 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.86 3dem s SER 250 CO -0.05 -0.75 0.88 0.42 0.41 0.00 0.00 173.24 174.14 3dem s THR 251 N 2.19 3.14 -0.30 1.44 -4.23 -0.35 -4.98 115.64 112.55 3dem s THR 251 Ca 0.11 -0.27 0.08 0.00 -1.18 0.00 0.00 61.69 60.43 3dem s THR 251 Cb -0.21 -3.25 0.50 0.00 1.34 0.00 0.00 72.50 70.89 3dem s THR 251 CO 0.10 -0.23 1.46 0.00 -0.54 0.00 0.00 174.62 175.41 3dem n GLN 252 N -2.56 1.90 -4.55 3.99 1.13 -1.26 -4.31 117.38 111.72 3dem n GLN 252 Ca 0.06 -3.25 -0.23 0.00 -1.94 0.00 0.00 57.00 51.64 3dem n GLN 252 Cb 0.59 -1.84 -0.14 0.00 0.11 0.00 0.00 30.24 28.96 3dem n GLN 252 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3dem s SER 253 N -2.60 2.12 0.00 1.08 0.15 -1.26 -4.95 113.70 108.23 3dem s SER 253 Ca 0.45 -0.47 0.28 0.00 0.70 0.00 0.00 55.95 56.90 3dem s SER 253 Cb 0.41 -0.17 0.99 0.00 -1.71 0.00 0.00 66.02 65.54 3dem s SER 253 CO -0.01 0.12 1.72 0.00 1.20 0.00 0.00 173.24 176.27 3dem n HIS 254 N 1.95 0.00 -4.17 3.44 1.44 -1.20 -1.39 115.22 115.29 3dem n HIS 254 Ca -0.17 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.37 3dem n HIS 254 Cb 0.54 -0.23 -0.15 0.00 0.12 0.00 0.00 29.99 30.28 3dem n HIS 254 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3dem s SER 255 N -2.66 0.66 -0.03 4.39 1.04 -1.26 -0.05 113.70 115.80 3dem s SER 255 Ca 0.22 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 3dem s SER 255 Cb 0.19 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3dem s SER 255 CO 0.54 0.05 0.08 -0.69 0.98 0.00 0.00 173.24 174.20 3dem s VAL 256 N -0.02 0.01 -0.12 5.02 1.01 -0.22 -4.59 120.40 121.48 3dem s VAL 256 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 3dem s VAL 256 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 3dem s VAL 256 CO -0.00 -0.02 -0.13 -0.22 0.00 0.00 0.00 175.10 174.73 3dem s LEU 257 N -0.03 2.75 -0.22 3.92 2.96 -0.55 -1.01 118.68 126.50 3dem s LEU 257 Ca -0.01 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 3dem s LEU 257 Cb -0.01 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3dem s LEU 257 CO 0.00 0.18 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.51 3dem s ILE 258 N 0.25 3.05 -0.20 6.68 1.01 -0.18 -0.35 121.20 131.45 3dem s ILE 258 Ca -0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 3dem s ILE 258 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3dem s ILE 258 CO 0.05 0.39 0.04 -0.22 0.00 0.00 0.00 174.94 175.20 3dem s LEU 259 N 1.41 3.53 -0.22 2.97 0.20 0.90 -0.88 118.68 126.59 3dem s LEU 259 Ca 0.04 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.79 3dem s LEU 259 Cb -0.15 -1.90 0.03 0.00 -0.43 0.00 0.00 46.19 43.74 3dem s LEU 259 CO -0.05 0.10 -0.13 0.12 -0.29 0.00 0.00 176.35 176.10 3dem s PHE 260 N 0.79 2.97 -0.14 5.38 5.36 -0.26 -0.53 117.98 131.55 3dem s PHE 260 Ca 0.02 -1.73 -0.04 0.00 -0.96 0.00 0.00 56.93 54.23 3dem s PHE 260 Cb -0.14 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 3dem s PHE 260 CO 0.02 -0.79 -0.01 -1.58 -1.46 0.00 0.00 175.22 171.40 3dem s HIS 261 N 1.27 3.09 -0.02 10.12 5.65 -0.23 -1.04 115.29 134.13 3dem s HIS 261 Ca 0.01 -0.13 0.05 0.00 0.25 0.00 0.00 55.06 55.24 3dem s HIS 261 Cb -0.16 -1.94 -0.01 0.00 -1.18 0.00 0.00 32.58 29.30 3dem s HIS 261 CO -0.08 0.11 -0.17 -1.54 -0.65 0.00 0.00 174.74 172.40 3dem s SER 262 N 0.09 2.05 0.42 9.88 1.04 -0.76 -1.69 113.70 124.73 3dem s SER 262 Ca 0.01 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3dem s SER 262 Cb -0.13 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.66 3dem s SER 262 CO 0.02 0.19 0.00 -0.90 0.98 0.00 0.00 173.24 173.54 3dem n ASP 263 N 2.80 0.00 -0.63 7.02 5.75 -1.25 -2.04 116.55 128.20 3dem n ASP 263 Ca -0.16 -0.74 0.02 0.00 -0.01 0.00 0.00 54.79 53.91 3dem n ASP 263 Cb 0.54 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.72 3dem n ASP 263 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3dem n ASN 264 N -2.22 1.66 -3.76 -1.12 6.94 -1.26 -0.24 115.26 115.27 3dem n ASN 264 Ca 0.00 -2.13 -0.13 0.00 -0.02 0.00 0.00 54.58 52.30 3dem n ASN 264 Cb 0.00 -0.36 -0.09 0.00 -2.36 0.00 0.00 39.78 36.96 3dem n ASN 264 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3dem s SER 265 N -0.54 -0.24 0.00 0.53 0.15 -1.26 -4.92 113.70 107.43 3dem s SER 265 Ca 0.13 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3dem s SER 265 Cb 0.09 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 3dem s SER 265 CO 0.06 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3dem n GLY 266 N 1.69 2.36 0.83 9.45 0.00 -1.26 -4.94 105.19 113.32 3dem n GLY 266 Ca -0.19 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 43.87 3dem n GLY 266 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dem n GLU 267 N 0.49 0.77 -1.80 1.61 -0.58 -1.26 -4.91 120.64 114.96 3dem n GLU 267 Ca 0.00 -2.44 -0.37 0.00 -0.42 0.00 0.00 57.16 53.92 3dem n GLU 267 Cb 0.00 -0.88 0.05 0.00 -0.57 0.00 0.00 31.44 30.04 3dem n GLU 267 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dem s ASN 268 N -2.46 4.93 0.39 1.62 0.01 -1.26 -4.46 114.94 113.71 3dem s ASN 268 Ca 0.31 2.65 0.23 0.00 -0.71 0.00 0.00 52.86 55.33 3dem s ASN 268 Cb 0.32 -2.62 0.29 0.00 0.41 0.00 0.00 41.25 39.64 3dem s ASN 268 CO -0.08 -1.79 1.51 0.03 -1.51 0.00 0.00 177.10 175.26 3dem h ARG 269 N 0.94 0.00 0.00 -0.60 3.08 -1.82 -2.01 114.38 113.97 3dem h ARG 269 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3dem h ARG 269 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3dem h ARG 269 CO 0.55 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 3dem n GLY 270 N 1.12 1.00 3.46 0.04 0.00 -0.04 -4.31 105.19 106.47 3dem n GLY 270 Ca 0.03 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 3dem n GLY 270 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dem s TRP 271 N 0.00 -0.50 -0.02 1.61 1.48 -1.26 0.31 118.94 120.57 3dem s TRP 271 Ca 0.00 0.27 -0.02 0.00 -1.06 0.00 0.00 56.10 55.30 3dem s TRP 271 Cb 0.00 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.89 3dem s TRP 271 CO 0.00 -0.87 0.04 0.50 -4.06 0.00 0.00 176.95 172.56 3dem s ARG 272 N -3.74 0.07 0.06 3.25 3.52 -1.26 -1.61 118.95 119.23 3dem s ARG 272 Ca 0.02 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3dem s ARG 272 Cb -0.01 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 3dem s ARG 272 CO -0.11 -0.01 -0.05 -0.48 -0.81 0.00 0.00 175.30 173.84 3dem s LEU 273 N -0.03 2.39 0.12 -0.88 0.05 0.47 -1.91 118.68 118.88 3dem s LEU 273 Ca -0.01 -0.79 0.10 0.00 0.05 0.00 0.00 54.13 53.49 3dem s LEU 273 Cb -0.01 0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.10 3dem s LEU 273 CO 0.00 -0.40 -0.24 -0.94 -0.55 0.00 0.00 176.35 174.22 3dem s SER 274 N -2.33 3.49 0.11 1.48 1.04 0.09 -0.89 113.70 116.68 3dem s SER 274 Ca -0.00 -0.67 0.08 0.00 0.48 0.00 0.00 55.95 55.84 3dem s SER 274 Cb -0.01 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 3dem s SER 274 CO -0.04 0.19 -0.21 -0.72 0.98 0.00 0.00 173.24 173.44 3dem s TYR 275 N -1.06 1.83 -0.02 5.02 -0.85 -0.40 -1.50 117.35 120.37 3dem s TYR 275 Ca 0.15 -0.42 -0.07 0.00 -0.52 0.00 0.00 57.07 56.21 3dem s TYR 275 Cb -0.10 -0.99 0.01 0.00 0.38 0.00 0.00 41.96 41.25 3dem s TYR 275 CO 0.07 0.22 0.16 1.03 -1.52 0.00 0.00 175.55 175.51 3dem s ARG 276 N -1.97 0.42 0.10 -3.49 0.52 -0.58 -2.12 118.95 111.83 3dem s ARG 276 Ca 0.07 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 3dem s ARG 276 Cb -0.10 0.18 -0.06 0.00 0.52 0.00 0.00 34.95 35.49 3dem s ARG 276 CO 0.05 -0.09 1.19 0.00 0.02 0.00 0.00 175.30 176.46 3dem s ALA 277 N -0.98 3.40 -1.23 2.13 0.00 -0.97 -0.11 121.76 124.00 3dem s ALA 277 Ca -0.11 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3dem s ALA 277 Cb -0.06 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3dem s ALA 277 CO 0.01 -0.41 0.31 0.00 0.00 0.00 0.00 175.76 175.68