#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjv s THR 7 N 0.00 4.98 -0.18 0.00 2.01 -1.26 -5.03 115.64 116.17 1xjv s THR 7 Ca 0.00 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 1xjv s THR 7 Cb 0.00 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.53 1xjv s THR 7 CO 0.00 -0.62 0.02 0.21 -0.69 0.00 0.00 174.62 173.54 1xjv s ASN 8 N 2.67 2.82 -0.13 3.53 3.04 -1.26 -5.13 114.94 120.49 1xjv s ASN 8 Ca 0.04 -0.75 -0.16 0.00 0.04 0.00 0.00 52.86 52.03 1xjv s ASN 8 Cb -0.25 -0.66 -0.04 0.00 -1.54 0.00 0.00 41.25 38.76 1xjv s ASN 8 CO 0.05 -0.27 0.39 -0.31 -3.04 0.00 0.00 177.10 173.91 1xjv s TYR 9 N 1.81 3.50 -0.20 0.43 2.02 -1.26 -5.07 117.35 118.59 1xjv s TYR 9 Ca -0.00 0.76 -0.06 0.00 -0.37 0.00 0.00 57.07 57.40 1xjv s TYR 9 Cb -0.16 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1xjv s TYR 9 CO -0.07 0.23 0.02 0.42 -1.57 0.00 0.00 175.55 174.58 1xjv s ILE 10 N 0.44 4.21 -0.21 2.71 -1.09 -1.26 -5.09 121.20 120.91 1xjv s ILE 10 Ca 0.21 -0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.32 1xjv s ILE 10 Cb -0.14 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1xjv s ILE 10 CO 0.08 0.43 0.09 -0.31 -1.23 0.00 0.00 174.94 174.00 1xjv s TYR 11 N 0.84 3.23 -0.20 3.97 2.02 -1.26 -4.17 117.35 121.77 1xjv s TYR 11 Ca 0.02 0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 56.57 1xjv s TYR 11 Cb -0.14 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1xjv s TYR 11 CO 0.02 0.02 0.41 0.99 -1.57 0.00 0.00 175.55 175.42 1xjv s THR 12 N 0.85 5.19 0.43 -0.71 2.01 -0.36 -4.99 115.64 118.05 1xjv s THR 12 Ca 0.05 0.73 -0.25 0.00 0.31 0.00 0.00 61.69 62.53 1xjv s THR 12 Cb -0.13 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 1xjv s THR 12 CO 0.03 0.25 1.22 -2.65 -0.69 0.00 0.00 174.62 172.77 1xjv n PRO 13 N 4.49 1.80 0.20 4.92 -0.02 -1.26 -4.72 135.00 140.40 1xjv n PRO 13 Ca -0.08 0.64 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1xjv n PRO 13 Cb 0.51 -2.32 0.69 0.00 -0.02 0.00 0.00 33.50 32.36 1xjv n PRO 13 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xjv h LEU 14 N 1.95 0.00 -1.85 2.45 3.38 -1.90 -0.92 115.31 118.41 1xjv h LEU 14 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1xjv h LEU 14 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1xjv h LEU 14 CO 0.59 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.66 1xjv n ASN 15 N -2.46 2.74 -0.22 -0.43 6.94 -1.26 -4.01 115.26 116.56 1xjv n ASN 15 Ca -0.01 -1.91 0.08 0.00 -0.02 0.00 0.00 54.58 52.72 1xjv n ASN 15 Cb 0.10 -0.25 0.14 0.00 -2.36 0.00 0.00 39.78 37.41 1xjv n ASN 15 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xjv n GLN 16 N 1.01 1.21 -2.98 -3.83 6.02 -0.35 -5.05 117.38 113.41 1xjv n GLN 16 Ca 0.18 -2.57 -0.40 0.00 -0.01 0.00 0.00 57.00 54.20 1xjv n GLN 16 Cb 0.47 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 1xjv n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xjv s LEU 17 N -2.66 4.48 0.07 1.08 1.43 -1.25 -4.90 118.68 116.93 1xjv s LEU 17 Ca 0.31 1.50 0.09 0.00 -1.03 0.00 0.00 54.13 54.99 1xjv s LEU 17 Cb 0.28 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1xjv s LEU 17 CO 0.01 0.06 -0.24 -0.54 0.23 0.00 0.00 176.35 175.87 1xjv s LYS 18 N -0.31 1.50 0.73 1.70 -0.14 -1.26 -5.12 119.74 116.84 1xjv s LYS 18 Ca 0.38 -1.10 -0.13 0.00 -1.36 0.00 0.00 55.97 53.76 1xjv s LYS 18 Cb -0.21 -1.72 0.04 0.00 -1.68 0.00 0.00 37.83 34.26 1xjv s LYS 18 CO 0.24 0.43 1.13 0.20 -0.76 0.00 0.00 175.35 176.59 1xjv s GLY 19 N -1.44 2.00 -0.66 -3.33 0.00 -1.26 -3.72 107.32 98.91 1xjv s GLY 19 Ca 0.10 0.54 -0.00 0.00 0.00 0.00 0.00 44.72 45.35 1xjv s GLY 19 CO 0.03 0.91 0.04 0.61 0.00 0.00 0.00 173.10 174.69 1xjv n GLY 20 N -0.45 0.08 3.13 0.20 0.00 0.31 -4.94 105.19 103.51 1xjv n GLY 20 Ca 0.11 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1xjv n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xjv s THR 21 N -2.47 0.32 -0.16 2.61 -4.23 -1.17 -5.00 115.64 105.55 1xjv s THR 21 Ca 0.02 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1xjv s THR 21 Cb -0.01 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.16 1xjv s THR 21 CO 0.03 -0.84 -0.21 -0.63 -0.54 0.00 0.00 174.62 172.43 1xjv s ILE 22 N -3.87 2.03 0.28 2.99 1.01 -1.26 0.43 121.20 122.81 1xjv s ILE 22 Ca 0.12 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1xjv s ILE 22 Cb 0.07 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1xjv s ILE 22 CO -0.06 0.54 0.12 1.33 0.00 0.00 0.00 174.94 176.87 1xjv n VAL 23 N 4.38 0.00 -5.00 2.92 0.24 0.11 -4.87 118.33 116.11 1xjv n VAL 23 Ca -0.20 -1.70 -0.28 0.00 -2.04 0.00 0.00 64.34 60.12 1xjv n VAL 23 Cb 0.51 0.65 -0.16 0.00 -1.47 0.00 0.00 33.84 33.36 1xjv n VAL 23 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xjv s ASN 24 N -2.76 2.50 0.05 -1.34 0.02 -1.26 -0.75 114.94 111.40 1xjv s ASN 24 Ca 0.17 -0.41 -0.04 0.00 -1.02 0.00 0.00 52.86 51.57 1xjv s ASN 24 Cb 0.01 -0.63 -0.02 0.00 0.02 0.00 0.00 41.25 40.63 1xjv s ASN 24 CO 0.12 0.20 0.05 0.68 0.02 0.00 0.00 177.10 178.16 1xjv s VAL 25 N -0.11 0.17 0.03 1.60 -7.23 -0.06 -1.23 120.40 113.57 1xjv s VAL 25 Ca -0.02 -1.40 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1xjv s VAL 25 Cb -0.12 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1xjv s VAL 25 CO 0.02 -0.77 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.51 1xjv s TYR 26 N -3.27 1.91 0.08 2.82 1.51 -1.26 -0.19 117.35 118.95 1xjv s TYR 26 Ca 0.01 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.42 1xjv s TYR 26 Cb 0.03 -1.16 0.09 0.00 -0.11 0.00 0.00 41.96 40.80 1xjv s TYR 26 CO -0.08 0.06 1.10 0.20 -1.11 0.00 0.00 175.55 175.72 1xjv s GLY 27 N -0.98 -0.31 -0.12 0.71 0.00 -0.72 -4.74 107.32 101.16 1xjv s GLY 27 Ca 0.08 0.36 -0.05 0.00 0.00 0.00 0.00 44.72 45.11 1xjv s GLY 27 CO 0.01 0.05 0.07 0.14 0.00 0.00 0.00 173.10 173.37 1xjv s VAL 28 N -2.93 4.88 -0.27 1.40 1.01 0.32 -0.77 120.40 124.04 1xjv s VAL 28 Ca 0.13 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1xjv s VAL 28 Cb 0.01 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1xjv s VAL 28 CO -0.00 0.59 1.26 -0.69 0.00 0.00 0.00 175.10 176.25 1xjv s VAL 29 N -0.72 4.23 -0.10 2.92 1.01 0.59 -1.72 120.40 126.61 1xjv s VAL 29 Ca 0.12 1.42 0.10 0.00 0.00 0.00 0.00 61.98 63.62 1xjv s VAL 29 Cb -0.12 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 1xjv s VAL 29 CO 0.03 -0.39 0.44 1.17 0.00 0.00 0.00 175.10 176.35 1xjv n LYS 30 N 7.08 0.67 -3.59 2.72 4.81 0.17 -0.51 118.16 129.50 1xjv n LYS 30 Ca 0.14 0.22 -0.15 0.00 -0.87 0.00 0.00 58.31 57.65 1xjv n LYS 30 Cb 0.46 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 1xjv n LYS 30 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1xjv s PHE 31 N -2.56 -0.47 -0.17 5.64 5.36 -1.14 -4.89 117.98 119.75 1xjv s PHE 31 Ca -0.10 0.69 -0.28 0.00 -0.96 0.00 0.00 56.93 56.27 1xjv s PHE 31 Cb 0.07 0.32 0.09 0.00 -0.34 0.00 0.00 43.02 43.16 1xjv s PHE 31 CO 0.80 -0.58 0.82 -0.59 -1.46 0.00 0.00 175.22 174.21 1xjv s PHE 32 N -1.73 -0.60 -0.27 10.12 -0.12 -1.26 -0.76 117.98 123.35 1xjv s PHE 32 Ca -0.09 1.25 -0.07 0.00 -0.05 0.00 0.00 56.93 57.96 1xjv s PHE 32 Cb -0.01 0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1xjv s PHE 32 CO 0.04 -0.43 0.08 0.15 -0.05 0.00 0.00 175.22 175.01 1xjv s LYS 33 N -0.51 3.46 0.91 1.99 1.02 0.75 -4.39 119.74 122.97 1xjv s LYS 33 Ca -0.04 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.24 1xjv s LYS 33 Cb -0.02 -3.36 0.14 0.00 -0.52 0.00 0.00 37.83 34.07 1xjv s LYS 33 CO 0.03 -0.28 1.15 -1.25 -0.92 0.00 0.00 175.35 174.08 1xjv s PRO 34 N 1.58 1.06 0.13 -1.68 0.04 -1.26 -3.07 135.00 131.80 1xjv s PRO 34 Ca 0.05 1.58 -0.35 0.00 0.04 0.00 0.00 61.00 62.32 1xjv s PRO 34 Cb -0.16 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.49 1xjv s PRO 34 CO 0.03 -2.61 1.33 -2.30 0.04 0.00 0.00 177.00 173.49 1xjv n PRO 35 N -4.16 1.36 -3.83 0.56 -0.02 -1.26 -4.69 135.00 122.97 1xjv n PRO 35 Ca 0.12 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1xjv n PRO 35 Cb 0.52 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.77 1xjv n PRO 35 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xjv s TYR 36 N 0.31 -0.14 -0.14 6.00 -0.85 0.01 -4.90 117.35 117.64 1xjv s TYR 36 Ca 0.79 0.35 -0.29 0.00 -0.52 0.00 0.00 57.07 57.40 1xjv s TYR 36 Cb -0.86 0.05 -0.05 0.00 0.38 0.00 0.00 41.96 41.47 1xjv s TYR 36 CO 0.47 -0.08 1.79 -1.17 -1.52 0.00 0.00 175.55 175.05 1xjv s LEU 37 N 0.02 4.02 0.00 -3.49 2.96 -1.26 0.31 118.68 121.24 1xjv s LEU 37 Ca -0.01 2.00 -0.13 0.00 -0.22 0.00 0.00 54.13 55.77 1xjv s LEU 37 Cb -0.01 -3.53 0.18 0.00 0.50 0.00 0.00 46.19 43.33 1xjv s LEU 37 CO 0.00 -1.26 1.09 -1.54 -1.32 0.00 0.00 176.35 173.32 1xjv n SER 38 N 8.53 0.13 0.00 3.68 3.41 -0.99 -4.91 113.62 123.47 1xjv n SER 38 Ca 0.20 -1.42 0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1xjv n SER 38 Cb 0.44 -0.83 0.67 0.00 -0.26 0.00 0.00 64.21 64.23 1xjv n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xjv n LYS 39 N -3.31 0.80 0.00 4.33 4.01 -1.26 -4.76 118.16 117.97 1xjv n LYS 39 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 1xjv n LYS 39 Cb 0.48 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.56 1xjv n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xjv n GLY 40 N 0.56 2.86 0.15 0.72 0.00 -1.26 -5.05 105.19 103.17 1xjv n GLY 40 Ca 0.17 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 1xjv n GLY 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xjv h THR 41 N 0.00 1.32 -1.09 2.61 2.02 -2.00 -3.48 112.91 112.29 1xjv h THR 41 Ca 0.00 -2.62 -0.49 0.00 0.77 0.00 0.00 66.41 64.07 1xjv h THR 41 Cb 0.00 3.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1xjv h THR 41 CO 0.00 0.78 -0.25 -1.81 0.37 0.00 0.00 175.52 174.61 1xjv s ASP 42 N -7.46 5.13 0.57 4.18 1.01 -1.26 -4.86 116.67 113.97 1xjv s ASP 42 Ca -0.10 -0.79 -0.14 0.00 0.71 0.00 0.00 52.55 52.23 1xjv s ASP 42 Cb 0.04 -0.13 -0.06 0.00 1.01 0.00 0.00 42.92 43.78 1xjv s ASP 42 CO 0.93 -0.98 1.01 -0.31 0.21 0.00 0.00 175.17 176.03 1xjv s TYR 43 N -2.56 3.48 0.02 4.23 2.02 0.11 -2.34 117.35 122.31 1xjv s TYR 43 Ca 0.52 1.40 0.02 0.00 -0.37 0.00 0.00 57.07 58.63 1xjv s TYR 43 Cb -0.05 -2.78 -0.01 0.00 -0.40 0.00 0.00 41.96 38.71 1xjv s TYR 43 CO 0.31 -0.57 -0.07 0.00 -1.57 0.00 0.00 175.55 173.65 1xjv s SER 45 N -0.85 0.28 -0.18 0.00 0.15 -0.48 -0.81 113.70 111.81 1xjv s SER 45 Ca -0.03 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 1xjv s SER 45 Cb -0.06 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1xjv s SER 45 CO 0.00 -0.14 -0.01 -0.69 1.20 0.00 0.00 173.24 173.60 1xjv s VAL 46 N 1.21 4.05 -0.07 4.45 1.01 -1.17 -1.26 120.40 128.62 1xjv s VAL 46 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1xjv s VAL 46 Cb -0.13 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1xjv s VAL 46 CO -0.03 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.80 1xjv s VAL 47 N 0.60 0.63 -0.25 2.92 1.01 -0.31 -0.18 120.40 124.83 1xjv s VAL 47 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1xjv s VAL 47 Cb -0.14 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1xjv s VAL 47 CO 0.02 0.27 0.07 -0.89 0.00 0.00 0.00 175.10 174.57 1xjv s THR 48 N 1.33 4.30 0.31 3.92 2.01 0.06 0.30 115.64 127.87 1xjv s THR 48 Ca -0.04 -0.18 0.09 0.00 0.31 0.00 0.00 61.69 61.88 1xjv s THR 48 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1xjv s THR 48 CO -0.02 0.35 -0.01 0.27 -0.69 0.00 0.00 174.62 174.51 1xjv s ILE 49 N 1.56 2.84 0.04 1.82 -4.36 -0.16 -0.66 121.20 122.29 1xjv s ILE 49 Ca 0.06 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.37 1xjv s ILE 49 Cb -0.15 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 40.80 1xjv s ILE 49 CO 0.03 -0.26 0.19 0.54 0.24 0.00 0.00 174.94 175.68 1xjv s VAL 50 N -2.46 0.11 0.00 8.37 0.11 -0.70 -0.66 120.40 125.16 1xjv s VAL 50 Ca 0.34 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1xjv s VAL 50 Cb -0.02 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1xjv s VAL 50 CO 0.19 -0.48 0.00 -0.90 -3.33 0.00 0.00 175.10 170.58 1xjv n ASP 51 N 0.73 0.22 0.08 3.54 5.75 -1.25 -0.52 116.55 125.10 1xjv n ASP 51 Ca -0.19 -0.56 0.20 0.00 -0.01 0.00 0.00 54.79 54.23 1xjv n ASP 51 Cb 0.59 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.42 1xjv n ASP 51 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1xjv h GLN 52 N 0.00 0.00 0.00 0.11 7.50 -1.94 0.38 115.11 121.15 1xjv h GLN 52 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1xjv h GLN 52 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1xjv h GLN 52 CO 0.00 0.00 0.00 0.25 -1.50 0.00 0.00 178.83 177.58 1xjv n THR 53 N -3.98 0.50 -1.27 -0.54 -2.24 -1.26 -4.87 114.28 100.62 1xjv n THR 53 Ca 0.07 0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1xjv n THR 53 Cb 0.55 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 1xjv n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xjv n ASN 54 N -1.48 -4.94 -4.75 3.42 5.15 0.13 -4.97 115.26 107.82 1xjv n ASN 54 Ca 0.06 0.23 -0.38 0.00 -0.60 0.00 0.00 54.58 53.89 1xjv n ASN 54 Cb 0.25 -3.27 -0.06 0.00 -0.53 0.00 0.00 39.78 36.16 1xjv n ASN 54 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xjv s VAL 55 N -2.08 5.16 0.10 3.44 1.01 -1.26 -4.88 120.40 121.89 1xjv s VAL 55 Ca 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1xjv s VAL 55 Cb 0.00 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1xjv s VAL 55 CO 0.00 0.41 0.51 -0.54 0.00 0.00 0.00 175.10 175.48 1xjv s LYS 56 N 0.13 3.98 -0.08 2.72 -0.14 -1.26 -3.92 119.74 121.17 1xjv s LYS 56 Ca 0.23 0.49 -0.00 0.00 -1.36 0.00 0.00 55.97 55.33 1xjv s LYS 56 Cb -0.15 -3.05 0.02 0.00 -1.68 0.00 0.00 37.83 32.98 1xjv s LYS 56 CO 0.10 0.56 -0.05 -1.17 -0.76 0.00 0.00 175.35 174.03 1xjv s LEU 57 N -1.64 1.02 -0.22 3.17 2.96 0.16 -4.97 118.68 119.16 1xjv s LEU 57 Ca 0.33 -0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.88 1xjv s LEU 57 Cb -0.16 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1xjv s LEU 57 CO 0.18 -0.12 0.46 -0.89 -1.32 0.00 0.00 176.35 174.66 1xjv s THR 58 N 1.58 5.14 -0.14 3.68 2.01 -1.26 -0.99 115.64 125.66 1xjv s THR 58 Ca 0.01 0.81 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 1xjv s THR 58 Cb -0.13 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1xjv s THR 58 CO -0.05 0.19 -0.07 0.00 -0.69 0.00 0.00 174.62 174.01 1xjv s LEU 60 N 0.32 4.83 -0.18 0.00 1.43 0.24 -1.16 118.68 124.15 1xjv s LEU 60 Ca -0.06 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 51.89 1xjv s LEU 60 Cb -0.15 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1xjv s LEU 60 CO 0.04 -0.43 -0.05 -0.76 0.23 0.00 0.00 176.35 175.38 1xjv s LEU 61 N 1.52 3.00 0.01 1.79 1.43 -0.39 -2.22 118.68 123.83 1xjv s LEU 61 Ca 0.02 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1xjv s LEU 61 Cb -0.20 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1xjv s LEU 61 CO 0.06 0.07 -0.26 -0.36 0.23 0.00 0.00 176.35 176.09 1xjv s PHE 62 N 0.91 2.30 -0.19 0.29 0.08 -1.26 -1.39 117.98 118.72 1xjv s PHE 62 Ca -0.01 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.35 1xjv s PHE 62 Cb -0.15 -1.43 0.08 0.00 -0.57 0.00 0.00 43.02 40.95 1xjv s PHE 62 CO 0.01 0.03 0.74 0.45 -0.10 0.00 0.00 175.22 176.35 1xjv s SER 63 N -0.88 -0.68 0.45 1.36 0.15 -0.90 -4.90 113.70 108.30 1xjv s SER 63 Ca 0.11 1.10 0.25 0.00 0.70 0.00 0.00 55.95 58.10 1xjv s SER 63 Cb -0.10 1.04 0.95 0.00 -1.71 0.00 0.00 66.02 66.20 1xjv s SER 63 CO 0.00 -0.37 1.83 1.23 1.20 0.00 0.00 173.24 177.13 1xjv h GLY 64 N 4.12 0.00 -6.49 9.45 0.00 -1.89 0.32 103.07 108.58 1xjv h GLY 64 Ca -0.28 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.41 1xjv h GLY 64 CO 0.19 0.00 -0.68 -1.31 0.00 0.00 0.00 176.54 174.74 1xjv s ASN 65 N -6.15 4.66 0.23 0.19 -0.87 -1.26 -4.71 114.94 107.05 1xjv s ASN 65 Ca 0.01 -0.24 -0.07 0.00 -1.57 0.00 0.00 52.86 50.99 1xjv s ASN 65 Cb 0.10 -1.79 0.41 0.00 -0.02 0.00 0.00 41.25 39.95 1xjv s ASN 65 CO 0.63 0.06 1.69 0.22 -2.57 0.00 0.00 177.10 177.13 1xjv h TYR 66 N 7.51 0.22 0.00 2.20 3.20 -1.98 -1.95 116.97 126.17 1xjv h TYR 66 Ca -0.36 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1xjv h TYR 66 Cb 1.18 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1xjv h TYR 66 CO 0.58 -0.08 0.00 -0.85 -1.64 0.00 0.00 178.16 176.17 1xjv n GLU 67 N -5.16 0.20 0.19 1.82 0.00 -1.26 -2.81 120.64 113.61 1xjv n GLU 67 Ca 0.12 0.35 0.14 0.00 0.00 0.00 0.00 57.16 57.78 1xjv n GLU 67 Cb 0.42 -1.83 0.51 0.00 0.00 0.00 0.00 31.44 30.54 1xjv n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xjv h ALA 68 N 2.36 1.00 -2.32 -1.84 0.00 -1.75 -3.37 119.26 113.34 1xjv h ALA 68 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1xjv h ALA 68 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.28 1xjv h ALA 68 CO 0.00 0.00 0.31 -0.51 0.00 0.00 0.00 179.25 179.05 1xjv s LEU 69 N -5.27 3.45 0.14 0.00 1.43 -1.12 -4.72 118.68 112.58 1xjv s LEU 69 Ca 0.04 1.29 -0.34 0.00 -1.03 0.00 0.00 54.13 54.09 1xjv s LEU 69 Cb 0.09 -4.28 -0.15 0.00 0.03 0.00 0.00 46.19 41.87 1xjv s LEU 69 CO 0.51 -0.71 1.35 -2.65 0.23 0.00 0.00 176.35 175.08 1xjv n PRO 70 N -2.31 1.46 -2.65 1.29 -0.02 -1.26 -4.86 135.00 126.66 1xjv n PRO 70 Ca 0.04 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1xjv n PRO 70 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1xjv n PRO 70 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xjv n ILE 71 N 2.37 4.25 -3.70 4.25 5.41 -1.26 -4.91 119.36 125.78 1xjv n ILE 71 Ca 0.16 -4.51 -0.36 0.00 1.00 0.00 0.00 62.75 59.04 1xjv n ILE 71 Cb 0.24 -2.42 -0.09 0.00 -0.71 0.00 0.00 39.64 36.66 1xjv n ILE 71 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1xjv s ILE 72 N 1.28 5.39 -0.04 1.39 1.01 -1.26 -4.77 121.20 124.20 1xjv s ILE 72 Ca 0.42 0.20 0.15 0.00 0.00 0.00 0.00 60.65 61.42 1xjv s ILE 72 Cb 0.03 -3.49 -0.23 0.00 0.01 0.00 0.00 42.46 38.78 1xjv s ILE 72 CO 0.00 0.40 0.30 -1.22 0.00 0.00 0.00 174.94 174.43 1xjv n TYR 73 N 3.82 0.00 -3.49 3.97 4.01 -1.26 -4.99 117.16 119.21 1xjv n TYR 73 Ca -0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 1xjv n TYR 73 Cb 0.52 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 1xjv n TYR 73 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1xjv s LYS 74 N -2.98 0.92 0.57 -0.72 -2.85 -1.26 -5.10 119.74 108.32 1xjv s LYS 74 Ca -0.06 -0.23 -0.20 0.00 -1.00 0.00 0.00 55.97 54.47 1xjv s LYS 74 Cb 0.09 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 1xjv s LYS 74 CO 0.63 -0.38 1.25 0.09 0.10 0.00 0.00 175.35 177.04 1xjv n ASN 75 N -0.05 2.09 0.00 0.03 3.02 -1.26 -2.19 115.26 116.90 1xjv n ASN 75 Ca -0.12 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 1xjv n ASN 75 Cb 0.62 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1xjv n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xjv n GLY 76 N 0.92 3.23 3.67 7.41 0.00 0.33 -5.00 105.19 115.75 1xjv n GLY 76 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1xjv n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xjv n ASP 77 N 0.00 0.95 -4.59 1.61 8.00 -0.93 -3.61 116.55 117.98 1xjv n ASP 77 Ca 0.00 0.64 -0.34 0.00 0.71 0.00 0.00 54.79 55.79 1xjv n ASP 77 Cb 0.00 -1.48 -0.11 0.00 -0.02 0.00 0.00 41.12 39.51 1xjv n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjv s ILE 78 N -1.94 3.93 0.16 0.53 1.01 -0.35 -0.30 121.20 124.23 1xjv s ILE 78 Ca 0.74 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 61.10 1xjv s ILE 78 Cb -0.32 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1xjv s ILE 78 CO 0.50 0.57 -0.19 0.68 0.00 0.00 0.00 174.94 176.49 1xjv s VAL 79 N -0.51 1.86 -0.13 2.92 -7.23 0.05 -0.25 120.40 117.11 1xjv s VAL 79 Ca 0.08 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1xjv s VAL 79 Cb -0.12 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 35.01 1xjv s VAL 79 CO 0.02 -0.25 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.82 1xjv s ARG 80 N -2.63 2.25 -0.14 4.82 3.52 -0.11 -1.76 118.95 124.90 1xjv s ARG 80 Ca 0.15 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1xjv s ARG 80 Cb -0.07 -2.00 -0.01 0.00 -1.56 0.00 0.00 34.95 31.30 1xjv s ARG 80 CO 0.07 -0.16 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.21 1xjv s PHE 81 N 1.28 2.83 -0.05 5.12 0.08 0.73 -1.33 117.98 126.65 1xjv s PHE 81 Ca 0.00 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 56.43 1xjv s PHE 81 Cb -0.14 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1xjv s PHE 81 CO -0.07 -0.22 -0.13 -1.01 -0.10 0.00 0.00 175.22 173.69 1xjv s HIS 82 N 0.41 2.75 -1.09 0.36 3.76 0.61 -0.88 115.29 121.21 1xjv s HIS 82 Ca -0.10 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1xjv s HIS 82 Cb -0.16 -1.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 1xjv s HIS 82 CO 0.05 0.23 0.94 0.54 -0.85 0.00 0.00 174.74 175.64 1xjv n ARG 83 N 2.24 -3.62 -3.84 1.40 1.74 -1.01 -1.82 116.66 111.75 1xjv n ARG 83 Ca -0.17 0.86 -0.36 0.00 -0.77 0.00 0.00 57.85 57.40 1xjv n ARG 83 Cb 0.52 -5.81 -0.12 0.00 -1.02 0.00 0.00 32.46 26.04 1xjv n ARG 83 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xjv s LEU 84 N -5.67 3.62 0.14 0.55 2.96 0.07 -3.03 118.68 117.32 1xjv s LEU 84 Ca 0.31 -0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.89 1xjv s LEU 84 Cb -0.04 -1.96 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 1xjv s LEU 84 CO 0.73 0.03 0.72 -0.75 -1.32 0.00 0.00 176.35 175.76 1xjv s LYS 85 N 1.22 4.46 -0.18 1.98 2.20 0.09 0.09 119.74 129.61 1xjv s LYS 85 Ca 0.05 1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 56.65 1xjv s LYS 85 Cb -0.14 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1xjv s LYS 85 CO 0.04 0.59 -0.02 0.42 -0.36 0.00 0.00 175.35 176.01 1xjv s ILE 86 N -1.12 3.88 0.19 5.43 -1.09 0.17 -0.89 121.20 127.77 1xjv s ILE 86 Ca 0.34 -0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 1xjv s ILE 86 Cb -0.22 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 1xjv s ILE 86 CO 0.24 0.46 0.20 0.00 -1.23 0.00 0.00 174.94 174.61 1xjv s GLN 87 N 0.66 1.19 -0.11 2.79 -2.07 -0.63 -0.53 119.66 120.96 1xjv s GLN 87 Ca -0.02 -1.44 -0.02 0.00 -1.82 0.00 0.00 55.36 52.06 1xjv s GLN 87 Cb -0.14 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 1xjv s GLN 87 CO 0.02 -0.41 -0.03 0.08 -1.32 0.00 0.00 175.29 173.63 1xjv s VAL 88 N -4.08 3.98 -0.20 3.63 1.01 -1.26 0.33 120.40 123.82 1xjv s VAL 88 Ca 0.29 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1xjv s VAL 88 Cb 0.05 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1xjv s VAL 88 CO 0.07 0.55 0.07 -0.47 0.00 0.00 0.00 175.10 175.32 1xjv s TYR 89 N -0.30 0.69 -0.99 5.22 5.04 0.20 -4.83 117.35 122.38 1xjv s TYR 89 Ca 0.05 -0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 53.99 1xjv s TYR 89 Cb -0.12 -0.92 -0.01 0.00 0.35 0.00 0.00 41.96 41.26 1xjv s TYR 89 CO 0.02 -0.60 0.83 1.63 -1.34 0.00 0.00 175.55 176.09 1xjv n LYS 90 N 5.14 -5.08 -0.36 4.97 5.02 -1.26 -1.81 118.16 124.78 1xjv n LYS 90 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1xjv n LYS 90 Cb 0.47 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 1xjv n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xjv n LYS 91 N -3.53 0.00 -3.66 1.97 4.81 -1.26 -4.92 118.16 111.56 1xjv n LYS 91 Ca -0.22 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.85 1xjv n LYS 91 Cb 0.64 -3.86 -0.10 0.00 0.02 0.00 0.00 35.03 31.73 1xjv n LYS 91 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xjv s GLU 92 N -0.48 4.03 0.26 1.64 0.41 -0.75 -5.07 118.70 118.74 1xjv s GLU 92 Ca 0.00 -0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 53.98 1xjv s GLU 92 Cb 0.00 -3.55 -0.09 0.00 -1.78 0.00 0.00 34.13 28.71 1xjv s GLU 92 CO 0.00 0.01 1.18 0.95 -0.49 0.00 0.00 175.26 176.91 1xjv s THR 93 N 1.20 3.34 -0.02 3.63 -4.23 -1.26 0.60 115.64 118.90 1xjv s THR 93 Ca 0.07 1.26 -0.08 0.00 -1.18 0.00 0.00 61.69 61.76 1xjv s THR 93 Cb -0.14 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1xjv s THR 93 CO 0.06 0.27 0.17 0.00 -0.54 0.00 0.00 174.62 174.57 1xjv s GLN 94 N -1.08 0.45 0.07 3.99 -2.07 0.15 -4.67 119.66 116.50 1xjv s GLN 94 Ca 0.48 -0.23 -0.10 0.00 -1.82 0.00 0.00 55.36 53.70 1xjv s GLN 94 Cb -0.34 0.19 -0.06 0.00 -1.09 0.00 0.00 33.01 31.72 1xjv s GLN 94 CO 0.42 -0.10 0.39 0.20 -1.32 0.00 0.00 175.29 174.87 1xjv s GLY 95 N -1.05 2.33 0.04 2.60 0.00 -0.12 -1.60 107.32 109.53 1xjv s GLY 95 Ca -0.11 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 1xjv s GLY 95 CO 0.02 -0.18 0.11 -1.50 0.00 0.00 0.00 173.10 171.54 1xjv s ILE 96 N -1.38 0.13 0.39 0.90 2.07 -0.07 0.80 121.20 124.03 1xjv s ILE 96 Ca 0.32 -1.04 -0.27 0.00 -1.41 0.00 0.00 60.65 58.25 1xjv s ILE 96 Cb -0.14 -0.85 -0.10 0.00 0.13 0.00 0.00 42.46 41.50 1xjv s ILE 96 CO 0.18 -0.58 1.39 0.42 -1.91 0.00 0.00 174.94 174.44 1xjv s THR 97 N -2.50 2.34 0.33 4.00 -4.23 -0.94 -0.73 115.64 113.91 1xjv s THR 97 Ca -0.06 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1xjv s THR 97 Cb -0.02 -3.20 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 1xjv s THR 97 CO -0.04 0.06 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.49 1xjv s SER 98 N -0.45 3.34 0.28 3.99 0.15 -1.17 -4.70 113.70 115.14 1xjv s SER 98 Ca 0.55 -1.22 -0.30 0.00 0.70 0.00 0.00 55.95 55.68 1xjv s SER 98 Cb -0.42 -0.28 -0.13 0.00 -1.71 0.00 0.00 66.02 63.48 1xjv s SER 98 CO 0.56 -0.29 1.34 -1.20 1.20 0.00 0.00 173.24 174.85 1xjv n SER 99 N -0.73 2.65 0.00 5.45 7.64 -1.26 -1.24 113.62 126.13 1xjv n SER 99 Ca -0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1xjv n SER 99 Cb 0.64 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1xjv n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xjv n GLY 100 N 1.60 0.66 3.57 0.23 0.00 -1.26 -4.94 105.19 105.04 1xjv n GLY 100 Ca 0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 1xjv n GLY 100 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xjv n PHE 101 N -2.59 1.10 -3.82 1.61 7.35 -0.37 -4.78 117.46 115.96 1xjv n PHE 101 Ca 0.00 0.72 -0.12 0.00 -0.76 0.00 0.00 57.45 57.29 1xjv n PHE 101 Cb 0.01 -2.23 -0.11 0.00 0.35 0.00 0.00 39.48 37.50 1xjv n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xjv s ALA 102 N -0.65 -0.49 0.04 3.13 0.00 -0.75 -5.00 121.76 118.04 1xjv s ALA 102 Ca 0.66 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1xjv s ALA 102 Cb -0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1xjv s ALA 102 CO 0.56 -0.17 -0.04 -1.54 0.00 0.00 0.00 175.76 174.57 1xjv s SER 103 N -0.72 0.48 -0.06 0.00 1.04 -1.26 -0.29 113.70 112.90 1xjv s SER 103 Ca -0.08 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.74 1xjv s SER 103 Cb -0.05 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.18 1xjv s SER 103 CO 0.01 -0.36 -0.19 -0.76 0.98 0.00 0.00 173.24 172.92 1xjv s LEU 104 N -1.92 1.94 0.05 2.42 1.43 -0.44 -4.57 118.68 117.59 1xjv s LEU 104 Ca -0.08 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1xjv s LEU 104 Cb -0.05 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1xjv s LEU 104 CO -0.03 0.16 -0.26 -0.89 0.23 0.00 0.00 176.35 175.56 1xjv s THR 105 N 0.11 2.10 0.11 5.49 2.01 -0.61 -0.93 115.64 123.93 1xjv s THR 105 Ca -0.07 -1.40 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1xjv s THR 105 Cb -0.14 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1xjv s THR 105 CO 0.04 0.33 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.91 1xjv s PHE 106 N -0.83 0.85 0.43 4.92 0.08 0.65 -0.87 117.98 123.22 1xjv s PHE 106 Ca 0.11 -1.03 -0.25 0.00 0.12 0.00 0.00 56.93 55.89 1xjv s PHE 106 Cb -0.10 -0.51 -0.08 0.00 -0.57 0.00 0.00 43.02 41.76 1xjv s PHE 106 CO 0.02 -0.28 1.27 -1.21 -0.10 0.00 0.00 175.22 174.92 1xjv s GLU 107 N -3.91 3.83 0.00 0.44 2.02 -1.26 -1.21 118.70 118.60 1xjv s GLU 107 Ca 0.15 2.06 0.23 0.00 0.02 0.00 0.00 54.97 57.42 1xjv s GLU 107 Cb 0.07 -2.61 0.28 0.00 0.10 0.00 0.00 34.13 31.97 1xjv s GLU 107 CO -0.03 -0.58 1.29 0.41 0.02 0.00 0.00 175.26 176.37 1xjv n GLY 108 N 0.63 1.26 3.81 -1.39 0.00 -1.24 -4.52 105.19 103.75 1xjv n GLY 108 Ca 0.05 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1xjv n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xjv s THR 109 N -1.70 4.73 0.25 2.61 -4.23 -1.26 -4.62 115.64 111.42 1xjv s THR 109 Ca 0.31 1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 61.69 1xjv s THR 109 Cb 0.20 -3.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.03 1xjv s THR 109 CO 0.29 0.49 1.48 0.18 -0.54 0.00 0.00 174.62 176.52 1xjv n LEU 110 N 1.52 3.47 0.00 4.79 4.77 -1.26 -2.17 117.00 128.11 1xjv n LEU 110 Ca -0.09 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1xjv n LEU 110 Cb 0.51 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1xjv n LEU 110 CO 0.42 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1xjv n GLY 111 N 2.27 2.16 3.78 -0.72 0.00 -1.26 -5.02 105.19 106.40 1xjv n GLY 111 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1xjv n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjv s ALA 112 N -3.32 2.58 0.62 4.61 0.00 -0.92 -4.97 121.76 120.37 1xjv s ALA 112 Ca 0.00 0.55 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1xjv s ALA 112 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1xjv s ALA 112 CO 0.00 -1.05 1.19 -2.30 0.00 0.00 0.00 175.76 173.59 1xjv n PRO 113 N -2.12 1.12 -3.58 0.00 -0.02 -1.26 -4.93 135.00 124.21 1xjv n PRO 113 Ca 0.10 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 1xjv n PRO 113 Cb 0.52 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 1xjv n PRO 113 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xjv s ILE 114 N -1.41 4.27 -0.28 4.25 1.01 -1.26 -4.57 121.20 123.20 1xjv s ILE 114 Ca 0.79 -2.39 0.02 0.00 0.00 0.00 0.00 60.65 59.07 1xjv s ILE 114 Cb -0.40 -3.76 0.08 0.00 0.01 0.00 0.00 42.46 38.39 1xjv s ILE 114 CO 0.44 -0.86 0.00 -0.63 0.00 0.00 0.00 174.94 173.89 1xjv s ILE 115 N 0.56 1.70 0.17 2.92 1.01 -1.26 -5.10 121.20 121.19 1xjv s ILE 115 Ca 0.13 -1.65 -0.32 0.00 0.00 0.00 0.00 60.65 58.81 1xjv s ILE 115 Cb -0.20 -2.09 -0.10 0.00 0.01 0.00 0.00 42.46 40.07 1xjv s ILE 115 CO -0.04 -0.36 1.60 -2.16 0.00 0.00 0.00 174.94 173.98 1xjv s PRO 116 N 1.26 4.20 -0.18 2.79 0.04 -1.26 -4.65 135.00 137.20 1xjv s PRO 116 Ca 0.02 2.41 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 1xjv s PRO 116 Cb -0.19 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1xjv s PRO 116 CO -0.10 -0.64 -0.00 1.03 0.04 0.00 0.00 177.00 177.32 1xjv s ARG 117 N 1.21 3.70 -0.04 4.56 0.52 -0.05 -4.89 118.95 123.97 1xjv s ARG 117 Ca 0.71 -0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 55.13 1xjv s ARG 117 Cb -0.45 -3.04 0.11 0.00 0.52 0.00 0.00 34.95 32.09 1xjv s ARG 117 CO 0.31 0.15 0.93 -0.08 0.02 0.00 0.00 175.30 176.64 1xjv s THR 118 N 0.64 0.00 -1.36 0.02 -1.32 -1.26 -1.57 115.64 110.79 1xjv s THR 118 Ca -0.01 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.71 1xjv s THR 118 Cb -0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1xjv s THR 118 CO 0.02 0.00 1.22 -1.54 -2.21 0.00 0.00 174.62 172.11 1xjv n SER 119 N -0.13 1.07 -4.74 8.08 3.41 -1.26 -4.93 113.62 115.12 1xjv n SER 119 Ca -0.08 -0.87 -0.41 0.00 -0.26 0.00 0.00 58.87 57.25 1xjv n SER 119 Cb 0.61 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 1xjv n SER 119 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xjv s SER 120 N -2.79 6.61 0.08 4.04 0.01 -1.26 -4.92 113.70 115.46 1xjv s SER 120 Ca 0.14 2.70 -0.12 0.00 1.31 0.00 0.00 55.95 59.98 1xjv s SER 120 Cb 0.18 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.55 1xjv s SER 120 CO 0.69 -0.75 1.17 0.50 0.41 0.00 0.00 173.24 175.26 1xjv h LYS 121 N 5.22 0.60 -5.46 12.44 3.64 -2.04 -3.44 116.57 127.55 1xjv h LYS 121 Ca -0.46 -0.73 -0.68 0.00 -1.27 0.00 0.00 60.65 57.52 1xjv h LYS 121 Cb 1.22 0.23 -0.31 0.00 -0.41 0.00 0.00 32.23 32.95 1xjv h LYS 121 CO 0.80 1.31 -0.85 0.71 -2.27 0.00 0.00 179.45 179.15 1xjv s TYR 122 N -3.13 2.60 -0.14 1.91 2.02 -1.26 -5.12 117.35 114.23 1xjv s TYR 122 Ca -0.09 -0.89 -0.26 0.00 -0.37 0.00 0.00 57.07 55.46 1xjv s TYR 122 Cb 0.07 -1.72 0.06 0.00 -0.40 0.00 0.00 41.96 39.97 1xjv s TYR 122 CO 0.92 -0.33 0.64 -0.59 -1.57 0.00 0.00 175.55 174.62 1xjv s PHE 123 N 0.24 -0.65 0.14 2.71 -0.12 -1.26 -5.14 117.98 113.90 1xjv s PHE 123 Ca -0.14 1.35 -0.30 0.00 -0.05 0.00 0.00 56.93 57.79 1xjv s PHE 123 Cb -0.17 0.31 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 1xjv s PHE 123 CO 0.07 -0.47 1.13 1.21 -0.05 0.00 0.00 175.22 177.11 1xjv s ASN 124 N -0.49 7.20 -0.25 1.98 3.84 -1.26 -5.02 114.94 120.94 1xjv s ASN 124 Ca -0.06 2.07 -0.02 0.00 0.21 0.00 0.00 52.86 55.06 1xjv s ASN 124 Cb -0.03 -2.60 0.14 0.00 -0.55 0.00 0.00 41.25 38.21 1xjv s ASN 124 CO 0.05 -0.31 0.39 0.12 -2.79 0.00 0.00 177.10 174.56 1xjv s PHE 125 N 0.16 -0.85 0.38 0.43 5.36 -1.26 -5.11 117.98 117.09 1xjv s PHE 125 Ca 0.52 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 57.33 1xjv s PHE 125 Cb -0.29 0.03 -0.00 0.00 -0.34 0.00 0.00 43.02 42.41 1xjv s PHE 125 CO 0.33 -0.74 0.02 0.25 -1.46 0.00 0.00 175.22 173.63 1xjv n THR 126 N 5.37 0.00 0.15 0.12 -2.24 -1.26 -5.01 114.28 111.41 1xjv n THR 126 Ca -0.03 -1.84 0.02 0.00 -2.27 0.00 0.00 64.05 59.93 1xjv n THR 126 Cb 0.50 0.42 0.38 0.00 -2.10 0.00 0.00 70.33 69.53 1xjv n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjv h THR 127 N 1.25 1.21 -0.40 4.28 1.03 -2.02 -1.98 112.91 116.29 1xjv h THR 127 Ca -0.31 -0.97 -0.03 0.00 -0.01 0.00 0.00 66.41 65.09 1xjv h THR 127 Cb 0.97 1.41 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 1xjv h THR 127 CO 0.51 0.29 0.10 -0.08 -0.01 0.00 0.00 175.52 176.33 1xjv h GLU 128 N 0.12 0.58 -0.48 0.00 4.57 -1.99 -1.79 114.58 115.59 1xjv h GLU 128 Ca 0.02 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 1xjv h GLU 128 Cb 0.49 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1xjv h GLU 128 CO 0.03 0.53 -0.20 -0.44 -1.18 0.00 0.00 179.01 177.76 1xjv h ASP 129 N 0.57 1.00 -0.26 1.04 3.32 -1.76 -1.01 116.42 119.33 1xjv h ASP 129 Ca 0.13 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.81 1xjv h ASP 129 Cb 0.21 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1xjv h ASP 129 CO -0.00 1.17 0.13 0.45 -1.72 0.00 0.00 179.24 179.27 1xjv h HIS 130 N 0.83 0.25 -0.59 4.55 3.86 -1.21 -0.51 115.15 122.33 1xjv h HIS 130 Ca 0.11 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1xjv h HIS 130 Cb 0.77 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1xjv h HIS 130 CO 0.05 0.14 0.31 0.87 0.86 0.00 0.00 177.93 180.16 1xjv h LYS 131 N 0.28 0.83 -0.51 2.45 1.57 -1.21 -1.12 116.57 118.87 1xjv h LYS 131 Ca 0.11 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xjv h LYS 131 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1xjv h LYS 131 CO -0.07 0.65 0.32 0.52 -0.57 0.00 0.00 179.45 180.30 1xjv h MET 132 N 0.80 0.68 -0.03 3.15 2.86 -0.79 -0.19 114.93 121.42 1xjv h MET 132 Ca 0.21 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1xjv h MET 132 Cb 0.07 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1xjv h MET 132 CO -0.03 0.47 0.01 0.28 1.06 0.00 0.00 176.91 178.70 1xjv h VAL 133 N 0.69 1.17 -0.91 -2.22 2.07 -0.87 -2.26 116.25 113.91 1xjv h VAL 133 Ca 0.18 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1xjv h VAL 133 Cb -0.05 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1xjv h VAL 133 CO -0.04 0.13 0.60 -0.33 0.02 0.00 0.00 177.57 177.96 1xjv h GLU 134 N -0.16 1.11 -0.57 1.57 5.08 -1.05 -1.17 114.58 119.39 1xjv h GLU 134 Ca 0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1xjv h GLU 134 Cb 0.21 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1xjv h GLU 134 CO -0.00 0.73 0.15 0.00 -1.00 0.00 0.00 179.01 178.90 1xjv h ALA 135 N 1.47 1.20 -0.04 3.43 0.00 -0.87 -1.29 119.26 123.15 1xjv h ALA 135 Ca 0.36 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1xjv h ALA 135 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xjv h ALA 135 CO -0.11 0.55 -0.73 -0.07 0.00 0.00 0.00 179.25 178.89 1xjv h LEU 136 N 0.84 0.31 -0.57 0.00 3.38 -0.76 -2.34 115.31 116.17 1xjv h LEU 136 Ca 0.19 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1xjv h LEU 136 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xjv h LEU 136 CO -0.00 0.94 -0.21 0.03 0.09 0.00 0.00 178.44 179.28 1xjv h ARG 137 N 0.17 0.92 -0.37 1.13 3.08 -0.87 0.34 114.38 118.79 1xjv h ARG 137 Ca -0.03 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1xjv h ARG 137 Cb 1.29 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1xjv h ARG 137 CO 0.11 1.04 0.09 0.28 -1.07 0.00 0.00 179.97 180.42 1xjv h VAL 138 N 0.80 1.22 -0.32 2.04 2.07 -1.19 -0.93 116.25 119.95 1xjv h VAL 138 Ca 0.11 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1xjv h VAL 138 Cb 0.76 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1xjv h VAL 138 CO 0.06 0.26 0.13 -0.25 0.02 0.00 0.00 177.57 177.79 1xjv h TRP 139 N 0.44 0.48 -0.49 1.57 7.01 -1.26 -3.12 115.95 120.59 1xjv h TRP 139 Ca 0.11 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 1xjv h TRP 139 Cb 0.31 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1xjv h TRP 139 CO 0.02 0.46 0.07 0.00 -2.79 0.00 0.00 178.44 176.20 1xjv h ALA 140 N 0.97 1.21 -0.43 2.65 0.00 -0.81 1.72 119.26 124.56 1xjv h ALA 140 Ca 0.11 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1xjv h ALA 140 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xjv h ALA 140 CO -0.01 0.53 0.41 0.66 0.00 0.00 0.00 179.25 180.84 1xjv h SER 141 N 0.73 0.00 0.00 0.00 4.64 -1.10 -2.66 113.55 115.16 1xjv h SER 141 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xjv h SER 141 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1xjv h SER 141 CO 0.01 0.00 -0.95 1.07 -0.87 0.00 0.00 176.83 176.08 1xjv n THR 142 N -3.91 0.00 0.10 2.95 5.66 -0.97 -4.72 114.28 113.38 1xjv n THR 142 Ca 0.08 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.06 1xjv n THR 142 Cb 0.60 -0.55 0.15 0.00 -1.55 0.00 0.00 70.33 68.97 1xjv n THR 142 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1xjv n HIS 143 N -2.37 1.09 0.00 1.09 -0.00 0.58 -4.66 115.22 110.94 1xjv n HIS 143 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 57.72 57.12 1xjv n HIS 143 Cb 0.48 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 1xjv n HIS 143 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1xjv n MET 144 N 0.10 0.00 0.00 -0.41 0.00 -1.01 -4.91 117.12 110.89 1xjv n MET 144 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1xjv n MET 144 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.02 1xjv n MET 144 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1xjv n SER 145 N 0.00 0.00 0.00 6.12 7.64 -1.25 -4.86 113.62 121.28 1xjv n SER 145 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xjv n SER 145 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xjv n SER 145 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1xjv n THR 149 N -0.15 0.00 -3.57 0.44 -1.04 -1.26 -4.99 114.28 103.70 1xjv n THR 149 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1xjv n THR 149 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 1xjv n THR 149 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1xjv s LEU 150 N 0.00 0.10 -0.04 -4.42 0.20 -1.26 -5.14 118.68 108.12 1xjv s LEU 150 Ca 0.00 -0.30 -0.30 0.00 0.69 0.00 0.00 54.13 54.22 1xjv s LEU 150 Cb 0.00 0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.81 1xjv s LEU 150 CO 0.00 -0.32 1.18 -0.22 -0.29 0.00 0.00 176.35 176.70 1xjv s LEU 151 N 2.24 4.29 0.39 -0.68 2.96 -1.26 -5.04 118.68 121.57 1xjv s LEU 151 Ca 0.04 1.81 -0.09 0.00 -0.22 0.00 0.00 54.13 55.68 1xjv s LEU 151 Cb -0.15 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 1xjv s LEU 151 CO -0.10 -0.55 0.73 -0.54 -1.32 0.00 0.00 176.35 174.57 1xjv s LYS 152 N 2.02 3.73 0.42 1.98 -0.14 -1.26 -4.74 119.74 121.75 1xjv s LYS 152 Ca 0.56 0.36 0.11 0.00 -1.36 0.00 0.00 55.97 55.63 1xjv s LYS 152 Cb -0.25 -2.44 0.95 0.00 -1.68 0.00 0.00 37.83 34.41 1xjv s LYS 152 CO 0.23 0.00 1.99 -0.07 -0.76 0.00 0.00 175.35 176.74 1xjv h LEU 153 N 1.26 0.44 -0.95 3.17 3.38 -1.91 -0.34 115.31 120.36 1xjv h LEU 153 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1xjv h LEU 153 Cb 1.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xjv h LEU 153 CO 0.64 0.28 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1xjv n ASP 155 N -2.16 2.40 -4.76 0.00 8.00 -0.14 -4.45 116.55 115.44 1xjv n ASP 155 Ca 0.00 -1.68 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 1xjv n ASP 155 Cb 0.13 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1xjv n ASP 155 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xjv s VAL 156 N -1.17 2.65 0.24 2.53 -7.23 -1.04 -4.98 120.40 111.40 1xjv s VAL 156 Ca 0.19 0.42 0.05 0.00 -1.81 0.00 0.00 61.98 60.84 1xjv s VAL 156 Cb 0.13 -3.18 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1xjv s VAL 156 CO 0.19 -0.07 0.34 -1.10 -0.31 0.00 0.00 175.10 174.15 1xjv s GLN 157 N -3.22 3.37 0.32 4.82 -0.21 -1.26 -4.78 119.66 118.71 1xjv s GLN 157 Ca 0.75 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 55.41 1xjv s GLN 157 Cb -0.31 -2.85 0.93 0.00 1.00 0.00 0.00 33.01 31.78 1xjv s GLN 157 CO 0.34 0.42 1.61 -1.35 -2.12 0.00 0.00 175.29 174.19 1xjv h PRO 158 N 1.20 0.11 -2.31 2.91 0.11 -1.96 -3.36 132.00 128.71 1xjv h PRO 158 Ca -0.51 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.23 1xjv h PRO 158 Cb 1.23 -0.02 -0.35 0.00 0.11 0.00 0.00 31.00 31.97 1xjv h PRO 158 CO 0.61 0.07 -0.66 1.41 -0.21 0.00 0.00 178.00 179.22 1xjv s MET 159 N -5.82 0.28 0.26 1.05 1.75 -1.26 -1.80 119.30 113.76 1xjv s MET 159 Ca -0.11 -0.14 -0.20 0.00 -1.25 0.00 0.00 55.69 53.99 1xjv s MET 159 Cb 0.29 -0.82 0.03 0.00 2.84 0.00 0.00 34.83 37.17 1xjv s MET 159 CO 0.78 -0.96 0.67 1.14 -0.65 0.00 0.00 175.02 176.00 1xjv s GLN 160 N 2.32 1.68 -0.06 4.11 -2.07 -1.20 -4.96 119.66 119.47 1xjv s GLN 160 Ca 0.09 -0.93 0.00 0.00 -1.82 0.00 0.00 55.36 52.70 1xjv s GLN 160 Cb -0.15 0.59 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 1xjv s GLN 160 CO -0.30 -0.76 -0.03 0.71 -1.32 0.00 0.00 175.29 173.59 1xjv s TYR 161 N -3.90 3.04 0.21 9.60 2.02 -1.26 -1.12 117.35 125.95 1xjv s TYR 161 Ca 0.10 0.10 -0.22 0.00 -0.37 0.00 0.00 57.07 56.68 1xjv s TYR 161 Cb -0.05 -1.73 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1xjv s TYR 161 CO 0.04 0.41 0.67 -0.59 -1.57 0.00 0.00 175.55 174.51 1xjv s PHE 162 N -0.90 -0.37 -0.26 2.71 -0.12 -0.32 -4.92 117.98 113.81 1xjv s PHE 162 Ca 0.14 0.04 -0.11 0.00 -0.05 0.00 0.00 56.93 56.96 1xjv s PHE 162 Cb -0.11 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1xjv s PHE 162 CO 0.04 -1.02 0.19 -0.51 -0.05 0.00 0.00 175.22 173.86 1xjv s ASP 163 N -2.82 6.09 -0.25 1.98 1.01 -1.26 -0.38 116.67 121.03 1xjv s ASP 163 Ca 0.06 0.07 -0.08 0.00 0.71 0.00 0.00 52.55 53.32 1xjv s ASP 163 Cb -0.03 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 1xjv s ASP 163 CO -0.04 0.00 0.08 -0.22 0.21 0.00 0.00 175.17 175.21 1xjv s LEU 164 N 1.41 3.50 -0.18 1.23 2.96 -0.06 -4.62 118.68 122.93 1xjv s LEU 164 Ca 0.08 -0.19 -0.19 0.00 -0.22 0.00 0.00 54.13 53.61 1xjv s LEU 164 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1xjv s LEU 164 CO 0.08 -0.04 0.56 -0.89 -1.32 0.00 0.00 176.35 174.74 1xjv s THR 165 N 1.63 5.09 0.36 3.68 2.01 -1.26 -0.76 115.64 126.39 1xjv s THR 165 Ca 0.06 1.06 -0.10 0.00 0.31 0.00 0.00 61.69 63.02 1xjv s THR 165 Cb -0.15 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.52 1xjv s THR 165 CO 0.04 0.18 0.66 0.00 -0.69 0.00 0.00 174.62 174.82 1xjv s GLN 167 N -2.27 2.53 -0.15 0.00 0.74 -0.35 -0.86 119.66 119.30 1xjv s GLN 167 Ca 0.18 -0.78 -0.25 0.00 0.05 0.00 0.00 55.36 54.56 1xjv s GLN 167 Cb -0.04 -2.30 -0.02 0.00 1.10 0.00 0.00 33.01 31.76 1xjv s GLN 167 CO 0.14 0.52 0.83 -1.17 -0.55 0.00 0.00 175.29 175.05 1xjv s LEU 168 N -0.48 4.20 -0.14 3.68 2.96 -0.30 -2.06 118.68 126.55 1xjv s LEU 168 Ca 0.06 1.20 0.10 0.00 -0.22 0.00 0.00 54.13 55.26 1xjv s LEU 168 Cb -0.12 -3.24 -0.15 0.00 0.50 0.00 0.00 46.19 43.19 1xjv s LEU 168 CO 0.01 -0.36 0.01 0.18 -1.32 0.00 0.00 176.35 174.87 1xjv n LEU 169 N 5.02 0.58 -3.74 -0.68 4.77 0.49 -0.06 117.00 123.38 1xjv n LEU 169 Ca 0.04 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1xjv n LEU 169 Cb 0.49 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1xjv n LEU 169 CO 0.48 0.41 0.05 -0.83 -1.33 0.00 0.00 177.39 176.18 1xjv s GLY 170 N -4.80 -0.15 0.04 -0.72 0.00 -0.87 -4.03 107.32 96.79 1xjv s GLY 170 Ca -0.10 0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.76 1xjv s GLY 170 CO 0.50 -0.14 -0.15 0.54 0.00 0.00 0.00 173.10 173.86 1xjv s LYS 171 N -2.47 0.96 -0.24 2.90 1.02 -0.35 -0.78 119.74 120.79 1xjv s LYS 171 Ca -0.05 -0.78 -0.10 0.00 0.02 0.00 0.00 55.97 55.05 1xjv s LYS 171 Cb -0.01 -0.98 0.09 0.00 -0.52 0.00 0.00 37.83 36.41 1xjv s LYS 171 CO -0.03 0.24 0.54 0.00 -0.92 0.00 0.00 175.35 175.19 1xjv s ALA 172 N -0.87 -1.54 0.71 5.17 0.00 -0.39 -0.06 121.76 124.80 1xjv s ALA 172 Ca 0.02 1.95 -0.15 0.00 0.00 0.00 0.00 51.96 53.78 1xjv s ALA 172 Cb -0.08 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.69 1xjv s ALA 172 CO 0.01 -0.60 1.18 -1.21 0.00 0.00 0.00 175.76 175.15 1xjv s GLU 173 N 2.17 2.30 0.05 0.00 0.41 -1.26 -0.70 118.70 121.67 1xjv s GLU 173 Ca -0.07 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.16 1xjv s GLU 173 Cb -0.09 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 1xjv s GLU 173 CO -0.16 -1.69 0.00 0.28 -0.49 0.00 0.00 175.26 173.20 1xjv n VAL 174 N -2.64 0.20 -2.16 2.63 0.31 -1.23 -4.77 118.33 110.67 1xjv n VAL 174 Ca 0.13 0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1xjv n VAL 174 Cb 0.51 -0.77 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1xjv n VAL 174 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xjv n ASP 175 N -2.76 -0.39 0.00 4.52 5.68 -1.22 -5.02 116.55 117.35 1xjv n ASP 175 Ca 0.00 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1xjv n ASP 175 Cb 0.00 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1xjv n ASP 175 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xjv n GLY 176 N 0.14 0.77 0.11 6.12 0.00 -1.26 -4.44 105.19 106.63 1xjv n GLY 176 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1xjv n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjv h ALA 177 N 0.00 0.97 -2.39 4.61 0.00 -1.95 -3.46 119.26 117.04 1xjv h ALA 177 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1xjv h ALA 177 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1xjv h ALA 177 CO 0.00 0.00 -0.52 -1.54 0.00 0.00 0.00 179.25 177.19 1xjv s SER 178 N -4.67 0.29 -0.04 0.00 1.04 -1.26 -1.60 113.70 107.47 1xjv s SER 178 Ca 0.10 -0.81 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 1xjv s SER 178 Cb 0.12 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1xjv s SER 178 CO 0.61 -0.66 0.13 0.12 0.98 0.00 0.00 173.24 174.42 1xjv s PHE 179 N -3.85 -0.09 -0.19 5.02 5.36 -0.41 -3.45 117.98 120.37 1xjv s PHE 179 Ca 0.06 0.21 -0.11 0.00 -0.96 0.00 0.00 56.93 56.12 1xjv s PHE 179 Cb 0.06 0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.71 1xjv s PHE 179 CO -0.10 -0.13 0.18 -1.17 -1.46 0.00 0.00 175.22 172.54 1xjv s LEU 180 N -0.35 4.21 -0.15 6.12 2.96 0.12 -1.34 118.68 130.25 1xjv s LEU 180 Ca -0.04 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 1xjv s LEU 180 Cb -0.03 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1xjv s LEU 180 CO 0.00 0.15 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.24 1xjv s LEU 181 N 0.45 2.33 -0.26 -0.68 1.43 -0.01 -1.26 118.68 120.68 1xjv s LEU 181 Ca 0.11 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 1xjv s LEU 181 Cb -0.12 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1xjv s LEU 181 CO 0.00 0.08 0.11 -0.54 0.23 0.00 0.00 176.35 176.23 1xjv s LYS 182 N 0.85 3.77 0.34 1.70 1.02 0.04 -0.82 119.74 126.64 1xjv s LYS 182 Ca -0.05 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.56 1xjv s LYS 182 Cb -0.15 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1xjv s LYS 182 CO -0.01 -0.18 0.14 0.14 -0.92 0.00 0.00 175.35 174.52 1xjv s VAL 183 N 1.65 0.50 0.19 3.17 -7.23 -0.89 -0.38 120.40 117.41 1xjv s VAL 183 Ca 0.07 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.01 1xjv s VAL 183 Cb -0.15 -2.49 0.06 0.00 0.56 0.00 0.00 36.38 34.35 1xjv s VAL 183 CO 0.06 0.00 0.65 -1.66 -0.31 0.00 0.00 175.10 173.84 1xjv s TRP 184 N -3.44 -0.43 0.00 2.82 1.48 -0.87 -1.17 118.94 117.34 1xjv s TRP 184 Ca 0.32 0.15 0.00 0.00 -1.06 0.00 0.00 56.10 55.51 1xjv s TRP 184 Cb 0.05 0.60 0.00 0.00 -1.16 0.00 0.00 33.47 32.96 1xjv s TRP 184 CO 0.17 -0.95 0.40 -0.40 -4.06 0.00 0.00 176.95 172.11 1xjv n ASP 185 N -0.40 0.36 0.00 -2.66 5.75 -1.26 -1.22 116.55 117.13 1xjv n ASP 185 Ca -0.13 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 1xjv n ASP 185 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1xjv n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xjv n GLY 186 N -0.07 0.50 3.33 6.12 0.00 -1.26 -4.52 105.19 109.29 1xjv n GLY 186 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1xjv n GLY 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xjv s THR 187 N -2.21 1.70 -0.14 2.61 -4.23 -1.26 -4.68 115.64 107.43 1xjv s THR 187 Ca 0.00 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 1xjv s THR 187 Cb 0.00 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1xjv s THR 187 CO 0.00 -0.52 0.10 -0.13 -0.54 0.00 0.00 174.62 173.53 1xjv s ARG 188 N -3.35 3.58 0.82 3.99 0.52 -1.26 -4.56 118.95 118.70 1xjv s ARG 188 Ca 0.19 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1xjv s ARG 188 Cb -0.02 -3.16 0.09 0.00 0.52 0.00 0.00 34.95 32.38 1xjv s ARG 188 CO 0.06 0.60 1.14 0.95 0.02 0.00 0.00 175.30 178.08 1xjv s THR 189 N -0.53 2.50 0.33 0.02 -4.23 -1.26 -3.40 115.64 109.07 1xjv s THR 189 Ca 0.11 0.18 0.22 0.00 -1.18 0.00 0.00 61.69 61.03 1xjv s THR 189 Cb -0.12 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.47 1xjv s THR 189 CO 0.02 -0.19 1.94 1.55 -0.54 0.00 0.00 174.62 177.40 1xjv h PRO 190 N -1.23 0.00 -5.86 3.99 0.13 -1.78 -3.43 132.00 123.83 1xjv h PRO 190 Ca -0.44 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 1xjv h PRO 190 Cb 1.26 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 1xjv h PRO 190 CO 0.46 0.22 -0.80 -0.06 -0.23 0.00 0.00 178.00 177.59 1xjv s PHE 191 N -4.06 1.62 0.45 1.56 0.08 -1.26 -5.12 117.98 111.25 1xjv s PHE 191 Ca -0.02 -0.45 -0.25 0.00 0.12 0.00 0.00 56.93 56.33 1xjv s PHE 191 Cb 0.13 -0.87 -0.08 0.00 -0.57 0.00 0.00 43.02 41.62 1xjv s PHE 191 CO 0.64 0.19 1.39 -2.14 -0.10 0.00 0.00 175.22 175.19 1xjv s PRO 192 N -2.12 3.70 0.58 0.24 0.02 -1.26 -4.56 135.00 131.60 1xjv s PRO 192 Ca 0.06 2.32 -0.19 0.00 0.02 0.00 0.00 61.00 63.21 1xjv s PRO 192 Cb -0.09 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 1xjv s PRO 192 CO 0.04 -0.77 1.23 0.45 -0.33 0.00 0.00 177.00 177.62 1xjv s SER 193 N -0.62 5.23 0.91 2.53 0.15 -1.26 -1.31 113.70 119.33 1xjv s SER 193 Ca 0.61 2.46 -0.12 0.00 0.70 0.00 0.00 55.95 59.60 1xjv s SER 193 Cb -0.42 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 61.42 1xjv s SER 193 CO 0.53 -1.57 1.09 -1.66 1.20 0.00 0.00 173.24 172.84 1xjv s TRP 194 N -1.53 2.29 -0.17 3.44 1.48 -0.09 -4.70 118.94 119.67 1xjv s TRP 194 Ca 0.76 1.21 -0.01 0.00 -1.06 0.00 0.00 56.10 56.99 1xjv s TRP 194 Cb -0.32 -3.18 0.05 0.00 -1.16 0.00 0.00 33.47 28.86 1xjv s TRP 194 CO 0.36 -2.46 -0.01 1.03 -4.06 0.00 0.00 176.95 171.81 1xjv s ARG 195 N -4.95 1.00 0.21 3.25 1.81 -1.26 -4.24 118.95 114.78 1xjv s ARG 195 Ca 0.64 -0.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.91 1xjv s ARG 195 Cb -0.18 -1.95 -0.09 0.00 -0.45 0.00 0.00 34.95 32.27 1xjv s ARG 195 CO 0.57 -0.52 1.35 0.08 -0.68 0.00 0.00 175.30 176.10 1xjv s VAL 196 N 1.75 3.03 -0.02 3.52 1.01 -1.26 -4.93 120.40 123.51 1xjv s VAL 196 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1xjv s VAL 196 Cb -0.16 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xjv s VAL 196 CO -0.07 0.13 1.44 -0.22 0.00 0.00 0.00 175.10 176.38 1xjv s LEU 197 N -0.19 4.31 0.43 3.92 2.96 -1.26 -4.97 118.68 123.88 1xjv s LEU 197 Ca 0.58 2.11 0.08 0.00 -0.22 0.00 0.00 54.13 56.67 1xjv s LEU 197 Cb -0.38 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.76 1xjv s LEU 197 CO 0.40 -0.76 0.52 -0.51 -1.32 0.00 0.00 176.35 174.68 1xjv s ILE 198 N 2.77 2.80 0.00 6.68 2.07 -1.26 -5.02 121.20 129.23 1xjv s ILE 198 Ca 0.65 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1xjv s ILE 198 Cb -0.31 -2.92 0.00 0.00 0.13 0.00 0.00 42.46 39.36 1xjv s ILE 198 CO 0.26 0.00 0.00 1.67 -1.91 0.00 0.00 174.94 174.96 1xjv n GLN 199 N -1.79 2.18 0.14 3.50 7.27 -1.26 -5.06 117.38 122.37 1xjv n GLN 199 Ca 0.07 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.90 1xjv n GLN 199 Cb 0.60 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.09 1xjv n GLN 199 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1xjv h ASP 200 N 0.00 0.79 0.00 1.69 1.82 -2.01 -3.40 116.42 115.31 1xjv h ASP 200 Ca 0.00 -0.85 0.00 0.00 -0.39 0.00 0.00 57.03 55.79 1xjv h ASP 200 Cb 0.00 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.75 1xjv h ASP 200 CO 0.00 1.67 0.00 -0.11 -1.61 0.00 0.00 179.24 179.19 1xjv n LEU 201 N -3.69 1.32 -0.10 2.28 0.00 -1.26 -4.71 117.00 110.85 1xjv n LEU 201 Ca -0.16 -1.32 -0.11 0.00 0.00 0.00 0.00 56.01 54.42 1xjv n LEU 201 Cb 1.10 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.48 1xjv n LEU 201 CO 0.60 0.33 0.75 0.58 0.00 0.00 0.00 177.39 179.65 1xjv h VAL 202 N 0.03 1.26 -2.80 1.96 2.07 -1.95 -3.44 116.25 113.37 1xjv h VAL 202 Ca 0.00 -0.97 -0.55 0.00 0.82 0.00 0.00 66.70 66.00 1xjv h VAL 202 Cb 0.18 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1xjv h VAL 202 CO 0.00 0.31 0.95 -0.22 0.02 0.00 0.00 177.57 178.63 1xjv s LEU 203 N -9.43 4.27 -0.10 2.57 2.96 -1.26 -4.40 118.68 113.30 1xjv s LEU 203 Ca -0.13 2.01 -0.03 0.00 -0.22 0.00 0.00 54.13 55.76 1xjv s LEU 203 Cb 0.08 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 1xjv s LEU 203 CO 0.76 -0.80 0.03 -1.83 -1.32 0.00 0.00 176.35 173.18 1xjv s GLU 204 N 3.35 3.14 0.00 1.98 -1.05 0.92 -4.92 118.70 122.11 1xjv s GLU 204 Ca 0.64 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 1xjv s GLU 204 Cb -0.29 -2.89 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 1xjv s GLU 204 CO 0.23 0.68 0.00 0.41 0.95 0.00 0.00 175.26 177.54 1xjv n GLY 205 N 2.22 1.19 3.56 -3.83 0.00 -1.26 -1.21 105.19 105.86 1xjv n GLY 205 Ca -0.19 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 1xjv n GLY 205 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xjv s ASP 206 N 0.00 5.90 0.26 1.61 -1.08 -1.26 -4.84 116.67 117.26 1xjv s ASP 206 Ca 0.00 -1.01 -0.02 0.00 -0.52 0.00 0.00 52.55 50.99 1xjv s ASP 206 Cb 0.00 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.36 1xjv s ASP 206 CO 0.00 -2.05 1.82 -0.07 0.52 0.00 0.00 175.17 175.39 1xjv h LEU 207 N 14.95 0.75 -0.69 -1.34 3.38 -1.93 -0.75 115.31 129.67 1xjv h LEU 207 Ca 0.11 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1xjv h LEU 207 Cb 1.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1xjv h LEU 207 CO 1.33 0.41 -0.32 0.77 0.09 0.00 0.00 178.44 180.72 1xjv h SER 208 N 0.85 0.68 0.05 -0.43 4.64 -1.99 0.17 113.55 117.53 1xjv h SER 208 Ca 0.44 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xjv h SER 208 Cb 0.43 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1xjv h SER 208 CO -0.26 0.95 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.88 1xjv h HIS 209 N 0.56 -0.07 -0.58 4.77 -0.00 -1.78 -1.24 115.15 116.82 1xjv h HIS 209 Ca 0.06 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1xjv h HIS 209 Cb 0.82 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.19 1xjv h HIS 209 CO 0.04 0.15 0.24 0.82 -0.00 0.00 0.00 177.93 179.17 1xjv h ILE 210 N -0.27 0.83 -0.62 6.26 2.04 -1.00 -1.43 117.51 123.32 1xjv h ILE 210 Ca -0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1xjv h ILE 210 Cb 0.24 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1xjv h ILE 210 CO 0.01 0.08 0.35 -0.74 0.00 0.00 0.00 178.15 177.85 1xjv h HIS 211 N 0.44 0.84 -0.14 1.37 2.76 -0.78 -2.67 115.15 116.97 1xjv h HIS 211 Ca 0.28 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1xjv h HIS 211 Cb 0.30 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1xjv h HIS 211 CO -0.15 0.59 -0.22 0.00 -1.30 0.00 0.00 177.93 176.86 1xjv h ARG 212 N 0.84 0.24 0.00 5.26 3.08 -0.62 -2.74 114.38 120.44 1xjv h ARG 212 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1xjv h ARG 212 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xjv h ARG 212 CO -0.04 0.46 0.00 -0.07 -1.07 0.00 0.00 179.97 179.25 1xjv h LEU 213 N 0.22 0.00 0.00 3.04 3.38 -0.93 -3.48 115.31 117.55 1xjv h LEU 213 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xjv h LEU 213 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xjv h LEU 213 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1xjv n GLN 214 N -2.94 0.00 0.00 1.13 6.02 -1.04 -0.94 117.38 119.61 1xjv n GLN 214 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xjv n GLN 214 Cb 0.26 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1xjv n GLN 214 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xjv n ASN 215 N 3.30 0.09 0.21 1.08 5.03 -1.26 -2.60 115.26 121.10 1xjv n ASN 215 Ca 0.00 -1.72 0.09 0.00 0.87 0.00 0.00 54.58 53.82 1xjv n ASN 215 Cb 0.00 -0.04 0.38 0.00 -1.02 0.00 0.00 39.78 39.10 1xjv n ASN 215 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1xjv h LEU 216 N 0.01 0.00-10.09 3.41 3.38 -1.36 -3.41 115.31 107.26 1xjv h LEU 216 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1xjv h LEU 216 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xjv h LEU 216 CO 0.00 0.25 -0.32 0.42 0.09 0.00 0.00 178.44 178.88 1xjv s THR 217 N -3.52 5.19 0.18 0.22 -4.23 -1.07 -4.51 115.64 107.90 1xjv s THR 217 Ca 0.01 -0.41 0.07 0.00 -1.18 0.00 0.00 61.69 60.19 1xjv s THR 217 Cb 0.09 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1xjv s THR 217 CO 0.65 -0.23 -0.15 0.27 -0.54 0.00 0.00 174.62 174.63 1xjv s ILE 218 N -1.93 1.61 -0.23 2.99 -4.36 -0.31 -4.78 121.20 114.19 1xjv s ILE 218 Ca 0.38 -2.05 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 1xjv s ILE 218 Cb -0.11 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 1xjv s ILE 218 CO 0.30 -0.53 0.14 -1.81 0.24 0.00 0.00 174.94 173.28 1xjv s ASP 219 N -3.02 6.08 -0.12 4.36 1.11 -1.26 -2.08 116.67 121.74 1xjv s ASP 219 Ca 0.18 0.13 0.02 0.00 0.18 0.00 0.00 52.55 53.06 1xjv s ASP 219 Cb -0.02 -2.09 -0.00 0.00 1.07 0.00 0.00 42.92 41.88 1xjv s ASP 219 CO 0.05 0.10 -0.20 -0.63 1.18 0.00 0.00 175.17 175.68 1xjv s ILE 220 N 0.85 2.43 -0.21 0.77 1.01 0.00 -4.12 121.20 121.94 1xjv s ILE 220 Ca 0.07 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1xjv s ILE 220 Cb -0.13 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1xjv s ILE 220 CO 0.03 0.54 0.03 -0.22 0.00 0.00 0.00 174.94 175.32 1xjv s LEU 221 N 0.41 3.38 0.06 2.97 2.96 -0.65 -0.83 118.68 126.98 1xjv s LEU 221 Ca -0.14 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1xjv s LEU 221 Cb -0.17 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1xjv s LEU 221 CO 0.06 0.05 -0.02 0.68 -1.32 0.00 0.00 176.35 175.80 1xjv s VAL 222 N 1.11 3.94 0.25 1.68 -7.23 -0.45 -1.01 120.40 118.70 1xjv s VAL 222 Ca 0.03 -0.90 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 1xjv s VAL 222 Cb -0.14 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1xjv s VAL 222 CO 0.02 0.21 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.58 1xjv s TYR 223 N -1.21 1.95 0.00 2.82 1.51 -0.75 -1.29 117.35 120.38 1xjv s TYR 223 Ca 0.23 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1xjv s TYR 223 Cb -0.12 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1xjv s TYR 223 CO 0.15 0.44 0.00 -0.25 -1.11 0.00 0.00 175.55 174.77 1xjv n ASP 224 N -0.52 0.00 0.31 2.29 8.00 -0.62 -1.69 116.55 124.32 1xjv n ASP 224 Ca -0.06 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.62 1xjv n ASP 224 Cb 0.61 0.00 1.04 0.00 -0.02 0.00 0.00 41.12 42.75 1xjv n ASP 224 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xjv h ASN 225 N 0.00 0.00 1.39 -2.24 -1.07 -1.94 -2.11 115.58 109.61 1xjv h ASN 225 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1xjv h ASN 225 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1xjv h ASN 225 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.43 177.95 1xjv h HIS 226 N 0.00 0.00 -0.02 4.14 3.86 -1.69 -3.35 115.15 118.09 1xjv h HIS 226 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xjv h HIS 226 Cb 0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1xjv h HIS 226 CO 0.00 0.00 0.01 0.28 0.86 0.00 0.00 177.93 179.08 1xjv h VAL 227 N 0.00 1.02 0.00 2.45 2.07 -1.52 -1.36 116.25 118.90 1xjv h VAL 227 Ca 0.00 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1xjv h VAL 227 Cb 0.69 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1xjv h VAL 227 CO 0.00 0.02 -0.21 1.12 0.02 0.00 0.00 177.57 178.51 1xjv h HIS 228 N 0.01 0.00 -0.04 1.57 2.07 -1.78 0.23 115.15 117.21 1xjv h HIS 228 Ca 0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 1xjv h HIS 228 Cb 0.01 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.99 1xjv h HIS 228 CO -0.07 0.21 -0.05 0.28 -3.07 0.00 0.00 177.93 175.23 1xjv h VAL 229 N 0.00 1.40 -0.95 6.12 2.07 -1.71 -2.82 116.25 120.36 1xjv h VAL 229 Ca -0.00 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.27 1xjv h VAL 229 Cb 0.44 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1xjv h VAL 229 CO 0.03 0.34 0.62 0.00 0.02 0.00 0.00 177.57 178.58 1xjv h ALA 230 N 0.51 1.22 0.00 1.67 0.00 -0.78 -1.80 119.26 120.07 1xjv h ALA 230 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xjv h ALA 230 Cb 0.58 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xjv h ALA 230 CO 0.01 0.56 -0.04 -0.09 0.00 0.00 0.00 179.25 179.69 1xjv h ARG 231 N 1.25 0.00 0.00 0.00 2.43 -0.50 -2.65 114.38 114.91 1xjv h ARG 231 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1xjv h ARG 231 Cb -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xjv h ARG 231 CO -0.09 0.04 -0.60 -1.13 -1.51 0.00 0.00 179.97 176.68 1xjv n SER 232 N -4.01 0.58 -4.77 -3.80 3.41 -0.69 -4.95 113.62 99.39 1xjv n SER 232 Ca -0.03 -0.07 -0.39 0.00 -0.26 0.00 0.00 58.87 58.12 1xjv n SER 232 Cb 0.13 0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1xjv n SER 232 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xjv s LEU 233 N -3.62 4.13 -0.19 1.04 1.43 -1.00 -4.98 118.68 115.49 1xjv s LEU 233 Ca 0.08 2.76 -0.19 0.00 -1.03 0.00 0.00 54.13 55.75 1xjv s LEU 233 Cb 0.15 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 1xjv s LEU 233 CO 0.72 -1.05 0.55 -0.75 0.23 0.00 0.00 176.35 176.05 1xjv s LYS 234 N -2.40 4.22 0.26 1.70 2.20 -1.26 -5.02 119.74 119.43 1xjv s LYS 234 Ca 0.60 0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 56.39 1xjv s LYS 234 Cb -0.40 -3.55 -0.12 0.00 -1.51 0.00 0.00 37.83 32.24 1xjv s LYS 234 CO 0.51 -0.14 1.57 0.28 -0.36 0.00 0.00 175.35 177.22 1xjv n VAL 235 N 4.47 0.75 0.00 4.02 0.31 -1.26 -1.61 118.33 125.01 1xjv n VAL 235 Ca -0.04 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1xjv n VAL 235 Cb 0.50 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1xjv n VAL 235 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xjv n GLY 236 N 2.56 2.29 3.81 2.92 0.00 0.91 -5.02 105.19 112.65 1xjv n GLY 236 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1xjv n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xjv s SER 237 N -1.39 4.46 -0.11 1.61 1.04 -0.64 -4.67 113.70 113.99 1xjv s SER 237 Ca 0.00 1.22 -0.05 0.00 0.48 0.00 0.00 55.95 57.60 1xjv s SER 237 Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 1xjv s SER 237 CO 0.00 -1.98 0.07 -0.36 0.98 0.00 0.00 173.24 171.95 1xjv s PHE 238 N -3.21 3.36 0.15 5.02 0.08 -1.26 -1.15 117.98 120.97 1xjv s PHE 238 Ca 0.61 0.32 0.04 0.00 0.12 0.00 0.00 56.93 58.03 1xjv s PHE 238 Cb -0.14 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1xjv s PHE 238 CO 0.54 0.54 -0.10 -0.51 -0.10 0.00 0.00 175.22 175.59 1xjv s LEU 239 N -0.76 2.52 -0.21 -0.37 1.43 -0.04 -0.16 118.68 121.09 1xjv s LEU 239 Ca 0.13 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1xjv s LEU 239 Cb -0.12 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.82 1xjv s LEU 239 CO 0.03 -0.34 -0.09 -0.60 0.23 0.00 0.00 176.35 175.57 1xjv s ARG 240 N -3.75 1.96 -0.43 1.70 3.52 -0.58 -1.01 118.95 120.36 1xjv s ARG 240 Ca 0.17 -0.91 -0.15 0.00 -0.13 0.00 0.00 55.73 54.70 1xjv s ARG 240 Cb 0.03 -2.49 0.03 0.00 -1.56 0.00 0.00 34.95 30.96 1xjv s ARG 240 CO 0.00 -0.48 0.35 0.42 -0.81 0.00 0.00 175.30 174.79 1xjv s ILE 241 N 1.37 5.23 0.05 4.11 1.01 0.06 -2.01 121.20 131.02 1xjv s ILE 241 Ca -0.03 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 1xjv s ILE 241 Cb -0.17 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1xjv s ILE 241 CO -0.07 -0.40 0.79 -0.31 0.00 0.00 0.00 174.94 174.94 1xjv s TYR 242 N 1.74 3.74 -1.36 3.97 2.02 -0.12 -0.88 117.35 126.45 1xjv s TYR 242 Ca 0.06 1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 58.19 1xjv s TYR 242 Cb -0.20 -2.85 0.02 0.00 -0.40 0.00 0.00 41.96 38.52 1xjv s TYR 242 CO 0.10 0.26 1.12 0.45 -1.57 0.00 0.00 175.55 175.91 1xjv n SER 243 N 2.84 -5.48 -4.76 2.29 2.88 -1.02 -3.00 113.62 107.36 1xjv n SER 243 Ca -0.02 -0.59 -0.39 0.00 -1.33 0.00 0.00 58.87 56.54 1xjv n SER 243 Cb 0.50 -4.86 0.01 0.00 -0.75 0.00 0.00 64.21 59.10 1xjv n SER 243 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1xjv s LEU 244 N -7.17 4.08 -0.14 2.46 2.96 0.49 -4.66 118.68 116.69 1xjv s LEU 244 Ca 0.51 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 57.04 1xjv s LEU 244 Cb -0.23 -4.06 -0.00 0.00 0.50 0.00 0.00 46.19 42.40 1xjv s LEU 244 CO 0.75 -1.04 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.30 1xjv s HIS 245 N -1.33 2.77 -0.05 5.38 5.65 0.23 -1.17 115.29 126.77 1xjv s HIS 245 Ca 0.62 -0.94 -0.04 0.00 0.25 0.00 0.00 55.06 54.94 1xjv s HIS 245 Cb -0.37 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.13 1xjv s HIS 245 CO 0.46 -0.41 0.17 0.95 -0.65 0.00 0.00 174.74 175.26 1xjv s THR 246 N 0.67 5.46 -0.09 0.89 -4.23 -0.27 -0.39 115.64 117.68 1xjv s THR 246 Ca -0.08 -0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1xjv s THR 246 Cb -0.16 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.24 1xjv s THR 246 CO 0.02 0.44 0.18 -0.75 -0.54 0.00 0.00 174.62 173.97 1xjv s LYS 247 N -1.59 0.08 0.15 3.99 2.20 -0.13 -3.25 119.74 121.20 1xjv s LYS 247 Ca 0.23 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 56.08 1xjv s LYS 247 Cb -0.12 -0.20 -0.07 0.00 -1.51 0.00 0.00 37.83 35.92 1xjv s LYS 247 CO 0.13 -0.25 0.89 -1.17 -0.36 0.00 0.00 175.35 174.59 1xjv s LEU 248 N 1.88 4.56 -0.37 5.43 2.96 -0.74 0.08 118.68 132.48 1xjv s LEU 248 Ca -0.02 1.76 -0.12 0.00 -0.22 0.00 0.00 54.13 55.53 1xjv s LEU 248 Cb -0.12 -3.49 0.01 0.00 0.50 0.00 0.00 46.19 43.10 1xjv s LEU 248 CO -0.06 0.07 0.23 -1.58 -1.32 0.00 0.00 176.35 173.69 1xjv s GLN 249 N -0.60 3.04 0.00 1.98 0.74 0.40 -4.92 119.66 120.29 1xjv s GLN 249 Ca 0.42 -0.95 0.17 0.00 0.05 0.00 0.00 55.36 55.04 1xjv s GLN 249 Cb -0.24 -3.80 0.10 0.00 1.10 0.00 0.00 33.01 30.18 1xjv s GLN 249 CO 0.29 -0.64 0.99 -1.13 -0.55 0.00 0.00 175.29 174.25 1xjv n SER 250 N 5.06 2.24 -3.66 6.67 3.41 -1.25 -1.93 113.62 124.15 1xjv n SER 250 Ca -0.12 -1.62 -0.19 0.00 -0.26 0.00 0.00 58.87 56.68 1xjv n SER 250 Cb 0.47 0.10 -0.17 0.00 -0.26 0.00 0.00 64.21 64.35 1xjv n SER 250 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xjv s MET 251 N -1.51 -0.03 0.89 4.33 -2.45 -1.26 -1.43 119.30 117.84 1xjv s MET 251 Ca 0.18 0.42 -0.10 0.00 -1.25 0.00 0.00 55.69 54.94 1xjv s MET 251 Cb 0.14 -0.50 0.19 0.00 1.25 0.00 0.00 34.83 35.91 1xjv s MET 251 CO 0.25 -0.34 1.22 0.54 1.05 0.00 0.00 175.02 177.74 1xjv s ASN 252 N 2.21 3.37 0.60 1.11 2.20 -0.25 -4.90 114.94 119.29 1xjv s ASN 252 Ca 0.04 -0.13 0.40 0.00 -0.94 0.00 0.00 52.86 52.23 1xjv s ASN 252 Cb -0.12 0.05 2.07 0.00 -2.00 0.00 0.00 41.25 41.26 1xjv s ASN 252 CO -0.04 -2.54 2.22 0.77 -2.94 0.00 0.00 177.10 174.57 1xjv h SER 253 N -1.29 0.00 -0.59 3.54 4.64 -2.02 -0.56 113.55 117.27 1xjv h SER 253 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1xjv h SER 253 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xjv h SER 253 CO 0.34 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.68 1xjv n GLU 254 N -2.98 4.34 -3.22 4.77 1.02 -1.26 -4.94 120.64 118.37 1xjv n GLU 254 Ca -0.02 -3.04 -0.22 0.00 -0.02 0.00 0.00 57.16 53.85 1xjv n GLU 254 Cb 0.12 -2.10 0.05 0.00 -0.02 0.00 0.00 31.44 29.50 1xjv n GLU 254 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xjv n ASN 255 N 0.76 -6.14 -4.69 1.62 5.03 -0.22 -5.01 115.26 106.62 1xjv n ASN 255 Ca 0.27 -0.38 -0.33 0.00 0.87 0.00 0.00 54.58 55.01 1xjv n ASN 255 Cb 1.06 -4.88 -0.09 0.00 -1.02 0.00 0.00 39.78 34.85 1xjv n ASN 255 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1xjv s GLN 256 N -5.91 2.83 0.15 3.52 -0.21 -1.26 -4.88 119.66 113.89 1xjv s GLN 256 Ca 0.41 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 1xjv s GLN 256 Cb -0.18 -2.69 -0.07 0.00 1.00 0.00 0.00 33.01 31.07 1xjv s GLN 256 CO 0.50 0.64 1.03 0.99 -2.12 0.00 0.00 175.29 176.33 1xjv s THR 257 N -1.06 4.18 0.03 -0.19 2.01 -1.26 -1.09 115.64 118.27 1xjv s THR 257 Ca 0.19 1.86 -0.02 0.00 0.31 0.00 0.00 61.69 64.02 1xjv s THR 257 Cb -0.11 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.22 1xjv s THR 257 CO 0.09 0.31 0.11 1.15 -0.69 0.00 0.00 174.62 175.59 1xjv n MET 258 N 2.55 0.10 -3.66 4.92 0.00 -0.51 -4.94 117.12 115.57 1xjv n MET 258 Ca 0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 57.70 57.35 1xjv n MET 258 Cb 0.48 0.28 -0.15 0.00 0.00 0.00 0.00 33.22 33.82 1xjv n MET 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1xjv s LEU 259 N 0.00 -0.10 0.00 3.17 1.43 -1.23 -3.88 118.68 118.07 1xjv s LEU 259 Ca 0.02 0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 1xjv s LEU 259 Cb -0.00 0.32 0.02 0.00 0.03 0.00 0.00 46.19 46.56 1xjv s LEU 259 CO 0.01 -0.25 0.30 -0.94 0.23 0.00 0.00 176.35 175.70 1xjv s SER 260 N 2.31 -0.16 -0.27 2.29 1.04 -0.81 -4.60 113.70 113.50 1xjv s SER 260 Ca 0.03 -0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 1xjv s SER 260 Cb -0.12 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1xjv s SER 260 CO -0.06 -0.48 0.15 -0.22 0.98 0.00 0.00 173.24 173.60 1xjv s LEU 261 N -1.51 3.83 0.12 2.42 2.96 -0.43 0.15 118.68 126.22 1xjv s LEU 261 Ca -0.12 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1xjv s LEU 261 Cb -0.04 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1xjv s LEU 261 CO 0.02 -0.03 0.36 -1.61 -1.32 0.00 0.00 176.35 173.77 1xjv s GLU 262 N 1.65 3.63 -0.18 1.98 2.02 0.11 -0.91 118.70 127.00 1xjv s GLU 262 Ca 0.07 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1xjv s GLU 262 Cb -0.15 -2.90 0.04 0.00 0.10 0.00 0.00 34.13 31.22 1xjv s GLU 262 CO 0.08 0.50 -0.09 -0.06 0.02 0.00 0.00 175.26 175.71 1xjv s PHE 263 N -1.58 2.07 -0.03 1.61 0.08 -1.26 -0.95 117.98 117.91 1xjv s PHE 263 Ca 0.38 -1.31 0.05 0.00 0.12 0.00 0.00 56.93 56.18 1xjv s PHE 263 Cb -0.12 -1.49 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1xjv s PHE 263 CO 0.23 -0.67 -0.19 -1.01 -0.10 0.00 0.00 175.22 173.48 1xjv s HIS 264 N 1.51 1.77 -0.66 0.36 3.76 0.48 -1.64 115.29 120.87 1xjv s HIS 264 Ca 0.01 -0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 1xjv s HIS 264 Cb -0.15 -1.16 0.17 0.00 1.11 0.00 0.00 32.58 32.55 1xjv s HIS 264 CO -0.08 -0.09 0.50 -1.17 -0.85 0.00 0.00 174.74 173.05 1xjv s LEU 265 N -0.26 5.51 0.67 0.89 2.96 -0.18 -0.60 118.68 127.67 1xjv s LEU 265 Ca 0.03 -2.82 -0.16 0.00 -0.22 0.00 0.00 54.13 50.96 1xjv s LEU 265 Cb -0.09 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1xjv s LEU 265 CO 0.01 -0.41 1.19 -1.00 -1.32 0.00 0.00 176.35 174.82 1xjv s HIS 266 N -0.01 2.27 0.78 5.38 3.76 -1.26 -1.81 115.29 124.39 1xjv s HIS 266 Ca 0.17 1.56 -0.14 0.00 -0.15 0.00 0.00 55.06 56.50 1xjv s HIS 266 Cb -0.18 -3.43 0.07 0.00 1.11 0.00 0.00 32.58 30.15 1xjv s HIS 266 CO -0.04 -2.32 1.22 0.20 -0.85 0.00 0.00 174.74 172.95 1xjv s GLY 267 N -1.96 2.26 0.00 -2.22 0.00 -1.26 -4.76 107.32 99.37 1xjv s GLY 267 Ca 0.74 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.36 1xjv s GLY 267 CO 0.40 1.32 0.00 0.61 0.00 0.00 0.00 173.10 175.43 1xjv n GLY 268 N 0.54 0.84 0.00 0.20 0.00 -1.26 -4.85 105.19 100.67 1xjv n GLY 268 Ca 0.14 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1xjv n GLY 268 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xjv n THR 269 N 0.57 0.54 -1.65 2.61 -2.24 -1.26 -4.77 114.28 108.07 1xjv n THR 269 Ca 0.00 -0.59 -0.38 0.00 -2.27 0.00 0.00 64.05 60.81 1xjv n THR 269 Cb 0.00 0.79 0.06 0.00 -2.10 0.00 0.00 70.33 69.07 1xjv n THR 269 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xjv n SER 270 N -0.27 1.17 -1.04 3.42 7.64 -1.26 -2.07 113.62 121.21 1xjv n SER 270 Ca 0.00 0.82 -0.12 0.00 1.01 0.00 0.00 58.87 60.58 1xjv n SER 270 Cb 0.30 -1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.01 1xjv n SER 270 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xjv n TYR 271 N -1.75 -0.14 -0.76 1.43 4.02 -1.26 -2.08 117.16 116.62 1xjv n TYR 271 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1xjv n TYR 271 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 39.34 37.17 1xjv n TYR 271 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xjv n GLY 272 N 0.02 0.75 3.69 2.72 0.00 -0.88 -4.73 105.19 106.76 1xjv n GLY 272 Ca -0.12 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.32 1xjv n GLY 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjv n ARG 273 N -2.36 0.95 -3.47 1.61 1.74 -0.88 -4.47 116.66 109.77 1xjv n ARG 273 Ca 0.00 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1xjv n ARG 273 Cb 0.00 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1xjv n ARG 273 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xjv n GLY 274 N 3.77 -1.77 2.95 -0.13 0.00 -1.16 -4.62 105.19 104.24 1xjv n GLY 274 Ca 0.25 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1xjv n GLY 274 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xjv s ILE 275 N -2.31 0.64 -0.06 -0.61 1.01 -1.26 -0.95 121.20 117.66 1xjv s ILE 275 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1xjv s ILE 275 Cb 0.00 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.88 1xjv s ILE 275 CO 0.00 0.22 -0.12 -0.60 0.00 0.00 0.00 174.94 174.45 1xjv s ARG 276 N 0.43 1.64 0.08 2.79 3.52 -0.85 -4.94 118.95 121.61 1xjv s ARG 276 Ca -0.06 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 54.85 1xjv s ARG 276 Cb -0.10 -1.37 -0.06 0.00 -1.56 0.00 0.00 34.95 31.86 1xjv s ARG 276 CO 0.00 0.01 1.16 0.08 -0.81 0.00 0.00 175.30 175.75 1xjv s VAL 277 N 0.70 4.07 -0.26 7.11 1.01 -1.26 -1.53 120.40 130.24 1xjv s VAL 277 Ca -0.14 1.55 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1xjv s VAL 277 Cb -0.16 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1xjv s VAL 277 CO 0.03 0.15 0.29 -0.76 0.00 0.00 0.00 175.10 174.81 1xjv s LEU 278 N 0.73 4.07 0.75 3.92 1.43 0.77 -4.94 118.68 125.41 1xjv s LEU 278 Ca 0.56 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1xjv s LEU 278 Cb -0.29 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.68 1xjv s LEU 278 CO 0.30 -0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 1xjv s PRO 279 N 1.66 2.48 0.00 1.29 0.04 -1.26 -4.24 135.00 134.98 1xjv s PRO 279 Ca 0.12 1.04 0.16 0.00 0.04 0.00 0.00 61.00 62.36 1xjv s PRO 279 Cb -0.15 -1.93 0.82 0.00 0.04 0.00 0.00 34.50 33.28 1xjv s PRO 279 CO 0.09 -1.45 1.43 0.39 0.04 0.00 0.00 177.00 177.49 1xjv n GLU 280 N -3.38 0.28 0.00 4.56 1.02 -1.26 -1.40 120.64 120.47 1xjv n GLU 280 Ca 0.08 0.11 0.14 0.00 -0.02 0.00 0.00 57.16 57.48 1xjv n GLU 280 Cb 0.53 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 31.09 1xjv n GLU 280 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xjv n SER 281 N -1.23 0.62 -4.69 1.62 3.41 -1.26 -4.78 113.62 107.31 1xjv n SER 281 Ca 0.08 -0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 57.43 1xjv n SER 281 Cb 0.11 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1xjv n SER 281 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xjv s ASN 282 N -2.31 7.18 0.56 4.04 3.84 -0.49 -4.95 114.94 122.81 1xjv s ASN 282 Ca 0.33 1.45 0.25 0.00 0.21 0.00 0.00 52.86 55.10 1xjv s ASN 282 Cb 0.20 -2.53 1.61 0.00 -0.55 0.00 0.00 41.25 39.99 1xjv s ASN 282 CO 0.43 -0.39 2.21 0.77 -2.79 0.00 0.00 177.10 177.34 1xjv h SER 283 N 7.09 0.00 0.74 -4.21 4.64 -1.89 -1.15 113.55 118.77 1xjv h SER 283 Ca -0.33 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.88 1xjv h SER 283 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1xjv h SER 283 CO 0.83 0.01 -0.56 0.44 -0.87 0.00 0.00 176.83 176.68 1xjv h ASP 284 N 0.00 0.00 -0.43 4.97 3.32 -1.95 -2.94 116.42 119.39 1xjv h ASP 284 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1xjv h ASP 284 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1xjv h ASP 284 CO 0.00 0.56 -0.17 0.58 -1.72 0.00 0.00 179.24 178.49 1xjv h VAL 285 N 0.00 1.27 -0.55 -1.35 2.07 -1.53 -1.75 116.25 114.40 1xjv h VAL 285 Ca -0.01 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1xjv h VAL 285 Cb 1.08 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1xjv h VAL 285 CO 0.07 0.45 0.31 0.44 0.02 0.00 0.00 177.57 178.86 1xjv h ASP 286 N 0.81 0.47 -0.35 0.57 3.32 -1.41 0.25 116.42 120.07 1xjv h ASP 286 Ca 0.12 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1xjv h ASP 286 Cb 0.71 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1xjv h ASP 286 CO 0.05 0.32 0.01 -0.61 -1.72 0.00 0.00 179.24 177.29 1xjv h GLN 287 N 0.60 0.62 -0.30 3.56 5.75 -1.49 -3.04 115.11 120.80 1xjv h GLN 287 Ca 0.24 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1xjv h GLN 287 Cb 0.10 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1xjv h GLN 287 CO -0.14 0.73 0.10 1.25 -2.65 0.00 0.00 178.83 178.12 1xjv h LEU 288 N 0.43 0.10 -1.30 -2.39 5.85 -0.86 -2.29 115.31 114.85 1xjv h LEU 288 Ca 0.10 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.01 1xjv h LEU 288 Cb 0.45 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 1xjv h LEU 288 CO 0.02 0.09 0.58 0.11 -0.34 0.00 0.00 178.44 178.90 1xjv h LYS 289 N 0.22 0.64 -0.31 1.25 1.57 -0.89 0.80 116.57 119.86 1xjv h LYS 289 Ca 0.13 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1xjv h LYS 289 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xjv h LYS 289 CO -0.14 0.42 -0.44 0.87 -0.57 0.00 0.00 179.45 179.59 1xjv h LYS 290 N 0.66 0.79 -0.33 3.15 1.79 -1.32 -0.67 116.57 120.65 1xjv h LYS 290 Ca 0.46 -0.44 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 1xjv h LYS 290 Cb 0.78 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1xjv h LYS 290 CO -0.21 1.07 -0.21 -0.44 -1.08 0.00 0.00 179.45 178.58 1xjv h ASP 291 N 0.64 0.62 -0.40 0.86 3.32 -0.71 -1.70 116.42 119.05 1xjv h ASP 291 Ca 0.04 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 1xjv h ASP 291 Cb 1.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1xjv h ASP 291 CO 0.10 0.83 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.26 1xjv h LEU 292 N 0.55 0.80 -0.45 1.55 3.38 -0.69 -1.46 115.31 119.00 1xjv h LEU 292 Ca 0.08 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xjv h LEU 292 Cb 0.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1xjv h LEU 292 CO 0.05 0.99 0.29 -0.08 0.09 0.00 0.00 178.44 179.78 1xjv h GLU 293 N 0.61 0.59 -0.50 1.13 4.81 -0.89 0.63 114.58 120.95 1xjv h GLU 293 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1xjv h GLU 293 Cb 0.65 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1xjv h GLU 293 CO 0.04 0.41 0.28 1.03 -0.73 0.00 0.00 179.01 180.04 1xjv h SER 294 N 0.60 0.63 -0.38 1.04 0.87 -1.23 -2.44 113.55 112.65 1xjv h SER 294 Ca 0.16 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 1xjv h SER 294 Cb -0.05 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1xjv h SER 294 CO -0.03 0.53 -0.08 0.00 -0.53 0.00 0.00 176.83 176.73 1xjv h ALA 295 N 1.12 1.01 -0.41 6.23 0.00 -0.99 -2.90 119.26 123.32 1xjv h ALA 295 Ca 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xjv h ALA 295 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xjv h ALA 295 CO -0.03 0.60 0.17 -0.91 0.00 0.00 0.00 179.25 179.08 1xjv h ASN 296 N 0.73 0.52 -0.06 0.00 2.35 -0.48 -2.98 115.58 115.66 1xjv h ASN 296 Ca 0.13 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1xjv h ASN 296 Cb 0.55 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1xjv h ASN 296 CO 0.03 0.47 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.97 1xjv h LEU 297 N 0.58 0.33 -6.58 1.61 3.38 -1.25 -3.30 115.31 110.08 1xjv h LEU 297 Ca 0.14 -0.63 -0.78 0.00 0.09 0.00 0.00 57.88 56.70 1xjv h LEU 297 Cb 0.11 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 40.56 1xjv h LEU 297 CO -0.02 0.91 1.53 0.41 0.09 0.00 0.00 178.44 181.36 1xjv n THR 298 N -4.50 4.85 0.00 0.22 -1.04 -1.12 -5.14 114.28 107.54 1xjv n THR 298 Ca -0.08 -5.06 0.00 0.00 -2.04 0.00 0.00 64.05 56.87 1xjv n THR 298 Cb 0.46 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 1xjv n THR 298 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43