#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj8 s LYS 13 N 0.00 4.27 0.31 -0.78 1.02 -1.26 -5.02 119.74 118.27 2jj8 s LYS 13 Ca 0.00 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 2jj8 s LYS 13 Cb 0.00 -2.95 -0.11 0.00 -0.52 0.00 0.00 37.83 34.25 2jj8 s LYS 13 CO 0.00 0.43 1.58 -0.47 -0.92 0.00 0.00 175.35 175.97 2jj8 s TYR 14 N -1.45 2.71 0.00 3.18 5.04 -0.38 -1.91 117.35 124.54 2jj8 s TYR 14 Ca 0.41 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 2jj8 s TYR 14 Cb -0.17 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.07 2jj8 s TYR 14 CO 0.21 -3.51 0.00 0.00 -1.34 0.00 0.00 175.55 170.91 2jj8 n ALA 15 N 1.84 0.00 -1.78 3.97 0.00 -1.26 -0.86 120.51 122.42 2jj8 n ALA 15 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2jj8 n ALA 15 Cb 0.38 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 2jj8 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jj8 s GLU 16 N -0.67 4.14 -0.87 0.00 2.12 -0.80 -2.33 118.70 120.29 2jj8 s GLU 16 Ca 0.00 2.55 0.00 0.00 0.36 0.00 0.00 54.97 57.88 2jj8 s GLU 16 Cb 0.00 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.36 2jj8 s GLU 16 CO 0.00 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 2jj8 n GLY 17 N 1.98 0.95 0.35 -1.50 0.00 -1.26 -4.88 105.19 100.83 2jj8 n GLY 17 Ca 0.07 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.83 2jj8 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jj8 n THR 18 N -2.56 0.23 -5.11 2.61 -2.24 -0.98 -5.04 114.28 101.19 2jj8 n THR 18 Ca -0.08 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 2jj8 n THR 18 Cb 0.37 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 2jj8 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jj8 s GLN 19 N -0.74 1.94 0.85 -0.78 -1.52 -1.26 -4.61 119.66 113.54 2jj8 s GLN 19 Ca 0.11 -1.00 -0.11 0.00 -1.95 0.00 0.00 55.36 52.41 2jj8 s GLN 19 Cb 0.07 -1.98 0.13 0.00 -0.22 0.00 0.00 33.01 31.02 2jj8 s GLN 19 CO 0.10 0.53 1.19 -1.25 -0.25 0.00 0.00 175.29 175.61 2jj8 s PRO 20 N -0.88 1.41 0.03 2.91 0.04 -1.26 -4.98 135.00 132.26 2jj8 s PRO 20 Ca 0.11 -0.32 -0.39 0.00 0.04 0.00 0.00 61.00 60.44 2jj8 s PRO 20 Cb -0.10 -1.99 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 2jj8 s PRO 20 CO 0.00 -1.87 1.19 0.34 0.04 0.00 0.00 177.00 176.71 2jj8 n PHE 21 N -3.38 1.02 -4.79 0.56 7.35 -1.26 -4.75 117.46 112.22 2jj8 n PHE 21 Ca 0.12 0.88 -0.26 0.00 -0.76 0.00 0.00 57.45 57.43 2jj8 n PHE 21 Cb 0.60 -2.19 -0.16 0.00 0.35 0.00 0.00 39.48 38.07 2jj8 n PHE 21 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2jj8 s THR 22 N 0.26 1.39 -0.10 -2.13 2.01 -1.26 -1.30 115.64 114.51 2jj8 s THR 22 Ca 0.89 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 62.25 2jj8 s THR 22 Cb -1.14 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 2jj8 s THR 22 CO 0.53 0.41 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.97 2jj8 s VAL 23 N 0.29 2.32 -0.29 3.82 1.01 0.83 -1.53 120.40 126.84 2jj8 s VAL 23 Ca -0.09 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 2jj8 s VAL 23 Cb -0.14 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.36 2jj8 s VAL 23 CO 0.03 0.55 0.04 -0.76 0.00 0.00 0.00 175.10 174.97 2jj8 s LEU 24 N 0.25 3.76 -0.44 3.92 1.43 0.46 -0.68 118.68 127.39 2jj8 s LEU 24 Ca -0.14 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 2jj8 s LEU 24 Cb -0.17 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2jj8 s LEU 24 CO 0.07 -0.21 1.11 -0.63 0.23 0.00 0.00 176.35 176.93 2jj8 s ILE 25 N 1.41 4.29 0.23 -0.59 -1.09 0.50 -0.69 121.20 125.26 2jj8 s ILE 25 Ca 0.00 1.35 0.10 0.00 -2.23 0.00 0.00 60.65 59.87 2jj8 s ILE 25 Cb -0.18 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 2jj8 s ILE 25 CO 0.00 -0.86 -0.08 -1.61 -1.23 0.00 0.00 174.94 171.16 2jj8 s GLU 26 N 4.22 2.09 0.00 2.79 0.41 -0.42 -0.62 118.70 127.18 2jj8 s GLU 26 Ca 0.47 -1.40 0.00 0.00 -0.41 0.00 0.00 54.97 53.63 2jj8 s GLU 26 Cb -0.09 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2jj8 s GLU 26 CO 0.27 0.39 0.00 0.41 -0.49 0.00 0.00 175.26 175.84 2jj8 n GLY 27 N -0.41 2.09 3.60 -1.39 0.00 -1.26 -1.30 105.19 106.52 2jj8 n GLY 27 Ca -0.08 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 2jj8 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jj8 s ASN 28 N 0.00 2.00 0.16 1.61 3.84 -1.26 -4.89 114.94 116.40 2jj8 s ASN 28 Ca 0.00 1.44 -0.31 0.00 0.21 0.00 0.00 52.86 54.20 2jj8 s ASN 28 Cb 0.00 -2.14 -0.11 0.00 -0.55 0.00 0.00 41.25 38.45 2jj8 s ASN 28 CO 0.00 -3.56 1.71 -0.63 -2.79 0.00 0.00 177.10 171.84 2jj8 s ILE 29 N -2.72 2.43 -0.36 -5.21 1.01 -1.26 -2.24 121.20 112.85 2jj8 s ILE 29 Ca 0.67 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.49 2jj8 s ILE 29 Cb -0.22 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2jj8 s ILE 29 CO 0.61 0.01 0.01 0.61 0.00 0.00 0.00 174.94 176.17 2jj8 n GLY 30 N 4.01 0.21 0.97 6.18 0.00 -1.26 -4.83 105.19 110.46 2jj8 n GLY 30 Ca 0.16 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.57 2jj8 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jj8 n SER 31 N 1.16 2.82 0.00 1.61 3.41 -0.95 -4.48 113.62 117.19 2jj8 n SER 31 Ca -0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 2jj8 n SER 31 Cb 0.54 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2jj8 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jj8 n GLY 32 N 1.34 0.67 0.28 5.00 0.00 -1.26 -4.90 105.19 106.33 2jj8 n GLY 32 Ca 0.18 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 2jj8 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jj8 h LYS 33 N 0.00 0.98 -0.43 1.61 1.57 -1.91 -1.19 116.57 117.19 2jj8 h LYS 33 Ca 0.00 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 2jj8 h LYS 33 Cb 0.43 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2jj8 h LYS 33 CO 0.00 0.88 0.01 1.15 -0.57 0.00 0.00 179.45 180.93 2jj8 h THR 34 N 0.89 1.26 -0.29 -0.16 2.02 -1.99 -1.70 112.91 112.94 2jj8 h THR 34 Ca 0.19 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.40 2jj8 h THR 34 Cb 0.34 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2jj8 h THR 34 CO 0.00 0.35 0.10 0.74 0.37 0.00 0.00 175.52 177.07 2jj8 h THR 35 N 0.59 0.92 -0.85 3.16 2.02 -1.96 -1.85 112.91 114.95 2jj8 h THR 35 Ca 0.12 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2jj8 h THR 35 Cb 0.47 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2jj8 h THR 35 CO 0.02 0.04 0.46 0.22 0.37 0.00 0.00 175.52 176.63 2jj8 h TYR 36 N 0.22 1.16 -0.01 3.16 3.20 -0.96 -2.66 116.97 121.08 2jj8 h TYR 36 Ca 0.13 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 2jj8 h TYR 36 Cb 0.10 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 2jj8 h TYR 36 CO -0.14 0.80 -0.71 1.25 -1.64 0.00 0.00 178.16 177.73 2jj8 h LEU 37 N 1.18 0.07 -1.37 2.82 5.85 -1.04 -3.06 115.31 119.78 2jj8 h LEU 37 Ca 0.30 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2jj8 h LEU 37 Cb 0.03 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2jj8 h LEU 37 CO -0.05 0.75 0.39 0.78 -0.34 0.00 0.00 178.44 179.97 2jj8 h ASN 38 N 0.04 0.71 -1.03 1.25 2.35 -0.99 -2.61 115.58 115.30 2jj8 h ASN 38 Ca -0.01 -0.03 0.28 0.00 -0.55 0.00 0.00 56.30 55.99 2jj8 h ASN 38 Cb 1.25 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.38 2jj8 h ASN 38 CO 0.10 0.53 0.71 0.45 -1.65 0.00 0.00 177.43 177.57 2jj8 h HIS 39 N 0.83 0.28 -0.00 1.19 3.86 -1.42 0.57 115.15 120.47 2jj8 h HIS 39 Ca 0.22 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2jj8 h HIS 39 Cb -0.07 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jj8 h HIS 39 CO 0.00 0.04 -0.08 1.19 0.86 0.00 0.00 177.93 179.93 2jj8 n PHE 40 N -4.39 0.00 0.27 2.45 3.01 -0.98 -4.21 117.46 113.61 2jj8 n PHE 40 Ca 0.23 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.81 2jj8 n PHE 40 Cb 0.99 -0.40 0.76 0.00 -0.01 0.00 0.00 39.48 40.82 2jj8 n PHE 40 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2jj8 h GLU 41 N 0.06 0.00 0.00 -1.08 4.57 -0.99 0.12 114.58 117.26 2jj8 h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jj8 h GLU 41 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2jj8 h GLU 41 CO 0.00 0.08 0.00 0.36 -1.18 0.00 0.00 179.01 178.27 2jj8 n LYS 42 N -3.85 0.01 -0.27 1.92 2.85 -1.26 -2.16 118.16 115.41 2jj8 n LYS 42 Ca -0.02 0.23 0.07 0.00 -1.05 0.00 0.00 58.31 57.53 2jj8 n LYS 42 Cb 0.17 -1.52 0.19 0.00 -0.65 0.00 0.00 35.03 33.23 2jj8 n LYS 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2jj8 n TYR 43 N -1.53 0.65 0.00 5.58 0.53 0.42 -4.70 117.16 118.11 2jj8 n TYR 43 Ca 0.04 -0.59 0.00 0.00 -1.02 0.00 0.00 57.90 56.32 2jj8 n TYR 43 Cb 0.19 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.40 2jj8 n TYR 43 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 2jj8 n LYS 44 N 0.34 0.00 0.23 -0.72 4.76 -0.92 -0.35 118.16 121.51 2jj8 n LYS 44 Ca 0.15 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.69 2jj8 n LYS 44 Cb 0.57 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 34.30 2jj8 n LYS 44 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2jj8 h ASN 45 N 0.00 0.00 0.00 4.39 2.35 -1.87 -3.22 115.58 117.23 2jj8 h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jj8 h ASN 45 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2jj8 h ASN 45 CO 0.00 0.21 -0.73 0.47 -1.65 0.00 0.00 177.43 175.73 2jj8 n ASP 46 N -3.54 1.75 -4.26 5.81 9.92 0.53 -4.98 116.55 121.79 2jj8 n ASP 46 Ca -0.01 -0.36 -0.31 0.00 -0.53 0.00 0.00 54.79 53.58 2jj8 n ASP 46 Cb 0.36 1.13 -0.16 0.00 -0.64 0.00 0.00 41.12 41.80 2jj8 n ASP 46 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jj8 s ILE 47 N -1.95 2.01 -0.35 0.53 1.01 -0.36 -3.96 121.20 118.13 2jj8 s ILE 47 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 2jj8 s ILE 47 Cb 0.04 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2jj8 s ILE 47 CO 0.25 0.56 0.85 0.00 0.00 0.00 0.00 174.94 176.60 2jj8 s LEU 49 N 3.22 3.87 -0.31 0.00 1.43 -1.26 -0.48 118.68 125.15 2jj8 s LEU 49 Ca 0.35 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.18 2jj8 s LEU 49 Cb -0.13 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.44 2jj8 s LEU 49 CO 0.16 -0.25 0.01 -0.76 0.23 0.00 0.00 176.35 175.74 2jj8 s LEU 50 N 1.25 4.06 0.65 1.79 1.43 -0.68 -5.03 118.68 122.16 2jj8 s LEU 50 Ca -0.05 -1.45 -0.14 0.00 -1.03 0.00 0.00 54.13 51.46 2jj8 s LEU 50 Cb -0.20 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2jj8 s LEU 50 CO -0.01 -0.29 1.07 0.42 0.23 0.00 0.00 176.35 177.77 2jj8 s THR 51 N 1.19 3.69 0.04 5.49 -4.23 -1.26 -1.53 115.64 119.02 2jj8 s THR 51 Ca -0.03 0.72 -0.38 0.00 -1.18 0.00 0.00 61.69 60.82 2jj8 s THR 51 Cb -0.20 -3.28 -0.17 0.00 1.34 0.00 0.00 72.50 70.19 2jj8 s THR 51 CO -0.03 -0.55 1.34 1.21 -0.54 0.00 0.00 174.62 176.05 2jj8 n GLU 52 N -2.48 0.98 -0.72 3.99 2.13 -1.21 -4.78 120.64 118.54 2jj8 n GLU 52 Ca 0.09 0.35 -0.07 0.00 0.66 0.00 0.00 57.16 58.19 2jj8 n GLU 52 Cb 0.53 -1.98 -0.10 0.00 0.27 0.00 0.00 31.44 30.16 2jj8 n GLU 52 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2jj8 n PRO 53 N 2.62 1.44 -0.31 5.31 -0.02 -1.26 -4.51 135.00 138.26 2jj8 n PRO 53 Ca 0.19 -0.59 0.09 0.00 -2.02 0.00 0.00 63.50 61.17 2jj8 n PRO 53 Cb 0.17 -1.66 0.30 0.00 -0.02 0.00 0.00 33.50 32.28 2jj8 n PRO 53 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jj8 h VAL 54 N 1.84 0.91 -0.43 -1.45 2.07 -1.99 -2.05 116.25 115.14 2jj8 h VAL 54 Ca 0.11 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2jj8 h VAL 54 Cb 1.16 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2jj8 h VAL 54 CO 0.19 0.16 0.24 -0.33 0.02 0.00 0.00 177.57 177.84 2jj8 h GLU 55 N 0.88 0.46 -0.40 1.57 4.39 -1.98 0.74 114.58 120.23 2jj8 h GLU 55 Ca 0.46 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.17 2jj8 h GLU 55 Cb 0.53 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2jj8 h GLU 55 CO -0.22 0.31 0.18 0.87 -1.16 0.00 0.00 179.01 178.98 2jj8 h LYS 56 N 0.48 0.36 0.00 2.33 1.57 -1.70 -1.96 116.57 117.64 2jj8 h LYS 56 Ca 0.18 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2jj8 h LYS 56 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2jj8 h LYS 56 CO -0.10 0.24 -0.04 -1.49 -0.57 0.00 0.00 179.45 177.48 2jj8 h TRP 57 N 0.37 0.00 0.00 -1.35 6.55 -0.58 -1.72 115.95 119.22 2jj8 h TRP 57 Ca 0.18 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.02 2jj8 h TRP 57 Cb 0.11 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 2jj8 h TRP 57 CO -0.12 0.04 0.00 0.54 -1.05 0.00 0.00 178.44 177.85 2jj8 n ARG 58 N -4.43 0.11 -3.12 0.49 1.74 0.14 -1.95 116.66 109.64 2jj8 n ARG 58 Ca -0.03 0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 56.99 2jj8 n ARG 58 Cb 0.12 -1.63 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 2jj8 n ARG 58 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jj8 s ASN 59 N -3.64 0.15 -0.53 0.55 2.47 -0.65 -3.79 114.94 109.51 2jj8 s ASN 59 Ca 0.12 -2.35 -0.18 0.00 0.42 0.00 0.00 52.86 50.86 2jj8 s ASN 59 Cb 0.16 0.66 0.08 0.00 -1.45 0.00 0.00 41.25 40.70 2jj8 s ASN 59 CO 0.55 -0.13 0.62 -0.69 -3.72 0.00 0.00 177.10 173.73 2jj8 s VAL 60 N 0.54 4.91 -1.00 -5.21 1.01 0.20 -4.40 120.40 116.45 2jj8 s VAL 60 Ca 0.30 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2jj8 s VAL 60 Cb 0.00 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2jj8 s VAL 60 CO -0.12 -0.89 0.06 0.59 0.00 0.00 0.00 175.10 174.75 2jj8 n ASN 61 N 6.07 0.31 0.00 3.32 3.02 -1.26 -0.00 115.26 126.72 2jj8 n ASN 61 Ca -0.09 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 2jj8 n ASN 61 Cb 0.44 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2jj8 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jj8 n GLY 62 N -1.80 2.83 3.73 7.41 0.00 -1.26 -5.06 105.19 111.04 2jj8 n GLY 62 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2jj8 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jj8 s VAL 63 N -2.81 4.70 -0.81 1.61 1.01 1.00 -4.91 120.40 120.20 2jj8 s VAL 63 Ca 0.00 1.82 -0.16 0.00 0.00 0.00 0.00 61.98 63.64 2jj8 s VAL 63 Cb 0.00 -4.21 0.17 0.00 0.00 0.00 0.00 36.38 32.35 2jj8 s VAL 63 CO 0.00 0.31 0.85 0.21 0.00 0.00 0.00 175.10 176.47 2jj8 s ASN 64 N 0.19 6.61 0.38 3.32 3.84 -1.25 0.58 114.94 128.61 2jj8 s ASN 64 Ca 0.43 -2.28 0.13 0.00 0.21 0.00 0.00 52.86 51.34 2jj8 s ASN 64 Cb -0.21 -2.28 0.74 0.00 -0.55 0.00 0.00 41.25 38.95 2jj8 s ASN 64 CO 0.25 -0.80 1.84 -0.07 -2.79 0.00 0.00 177.10 175.53 2jj8 h LEU 65 N 8.89 0.01 0.49 3.21 3.38 -1.62 -2.80 115.31 126.87 2jj8 h LEU 65 Ca 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jj8 h LEU 65 Cb 1.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jj8 h LEU 65 CO 0.92 0.36 -0.24 0.25 0.09 0.00 0.00 178.44 179.82 2jj8 h LEU 66 N 0.01 -0.56 -0.36 1.67 5.85 -1.88 -2.33 115.31 117.71 2jj8 h LEU 66 Ca -0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2jj8 h LEU 66 Cb 0.63 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2jj8 h LEU 66 CO 0.05 -0.33 0.10 -0.33 -0.34 0.00 0.00 178.44 177.59 2jj8 h GLU 67 N -0.76 0.23 -0.63 1.25 3.07 -1.89 -1.61 114.58 114.23 2jj8 h GLU 67 Ca -0.07 -0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.89 2jj8 h GLU 67 Cb 0.55 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 2jj8 h GLU 67 CO 0.11 0.15 0.43 -0.07 -1.40 0.00 0.00 179.01 178.23 2jj8 h LEU 68 N 0.23 0.35 -0.05 1.33 3.38 -1.50 0.21 115.31 119.25 2jj8 h LEU 68 Ca 0.17 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2jj8 h LEU 68 Cb 0.17 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jj8 h LEU 68 CO -0.20 0.20 -0.58 -0.03 0.09 0.00 0.00 178.44 177.92 2jj8 h MET 69 N 0.38 0.49 0.18 1.13 4.05 -0.73 -1.83 114.93 118.60 2jj8 h MET 69 Ca 0.30 -0.45 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2jj8 h MET 69 Cb 0.66 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.57 2jj8 h MET 69 CO -0.08 1.09 -0.11 1.88 0.23 0.00 0.00 176.91 179.92 2jj8 h TYR 70 N 0.05 -0.28 -0.84 1.39 -1.99 -0.91 -2.14 116.97 112.25 2jj8 h TYR 70 Ca -0.06 -0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.84 2jj8 h TYR 70 Cb 1.25 0.10 -0.11 0.00 2.00 0.00 0.00 36.73 39.97 2jj8 h TYR 70 CO 0.13 -0.17 0.37 1.57 -0.00 0.00 0.00 178.16 180.06 2jj8 h LYS 71 N -0.28 0.46 -0.91 4.88 2.10 -0.52 -3.38 116.57 118.92 2jj8 h LYS 71 Ca -0.02 -0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 58.39 2jj8 h LYS 71 Cb 0.23 -0.10 -0.18 0.00 -0.90 0.00 0.00 32.23 31.28 2jj8 h LYS 71 CO 0.02 0.31 -0.55 -3.47 -2.00 0.00 0.00 179.45 173.76 2jj8 n ASP 72 N -4.98 -3.01 -0.31 7.07 -0.08 -0.70 -5.05 116.55 109.49 2jj8 n ASP 72 Ca 0.18 -2.96 -0.01 0.00 -1.51 0.00 0.00 54.79 50.49 2jj8 n ASP 72 Cb 0.51 1.53 0.12 0.00 2.34 0.00 0.00 41.12 45.62 2jj8 n ASP 72 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2jj8 h PRO 73 N 4.80 1.02 -0.70 -0.67 0.11 -1.58 -2.10 132.00 132.88 2jj8 h PRO 73 Ca 0.03 -0.06 0.14 0.00 0.11 0.00 0.00 66.00 66.22 2jj8 h PRO 73 Cb 1.07 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 2jj8 h PRO 73 CO 0.12 0.67 0.47 0.87 -0.21 0.00 0.00 178.00 179.93 2jj8 h LYS 74 N 1.05 0.35 0.05 1.05 1.79 -1.88 0.06 116.57 119.03 2jj8 h LYS 74 Ca 0.35 -0.02 -0.27 0.00 -2.18 0.00 0.00 60.65 58.53 2jj8 h LYS 74 Cb 0.05 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2jj8 h LYS 74 CO -0.13 0.23 -1.48 -0.22 -1.08 0.00 0.00 179.45 176.77 2jj8 h LYS 75 N 0.36 0.10 0.00 3.15 3.64 -1.77 -3.42 116.57 118.63 2jj8 h LYS 75 Ca 0.34 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2jj8 h LYS 75 Cb 0.82 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2jj8 h LYS 75 CO -0.09 1.09 -0.98 0.91 -2.27 0.00 0.00 179.45 178.10 2jj8 n TRP 76 N -4.10 0.00 -0.21 1.91 7.02 -0.82 -4.50 117.44 116.73 2jj8 n TRP 76 Ca -0.31 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.14 2jj8 n TRP 76 Cb 0.81 -0.01 0.07 0.00 -2.42 0.00 0.00 31.31 29.76 2jj8 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jj8 h ALA 77 N 2.85 0.81 0.51 6.99 0.00 -1.21 -1.09 119.26 128.12 2jj8 h ALA 77 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jj8 h ALA 77 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jj8 h ALA 77 CO 0.00 0.07 -0.42 1.98 0.00 0.00 0.00 179.25 180.88 2jj8 h MET 78 N 0.69 -0.88 -0.85 0.00 1.85 -1.81 0.58 114.93 114.51 2jj8 h MET 78 Ca 0.26 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.41 2jj8 h MET 78 Cb 0.09 0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 2jj8 h MET 78 CO -0.13 -0.58 0.55 -1.00 -0.40 0.00 0.00 176.91 175.34 2jj8 h PRO 79 N -0.91 1.13 0.19 0.39 0.13 -1.81 -0.42 132.00 130.71 2jj8 h PRO 79 Ca -0.07 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2jj8 h PRO 79 Cb 0.76 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 2jj8 h PRO 79 CO -0.00 0.76 -0.27 0.35 -0.23 0.00 0.00 178.00 178.61 2jj8 h PHE 80 N 1.16 -0.72 -0.41 1.56 3.57 -1.06 0.69 116.94 121.72 2jj8 h PHE 80 Ca 0.31 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 2jj8 h PHE 80 Cb -0.11 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2jj8 h PHE 80 CO 0.00 -0.38 -0.15 1.96 -2.23 0.00 0.00 178.31 177.51 2jj8 h GLN 81 N -0.52 0.76 -0.49 1.11 1.08 -0.70 0.20 115.11 116.55 2jj8 h GLN 81 Ca 0.01 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2jj8 h GLN 81 Cb 0.52 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 2jj8 h GLN 81 CO -0.11 0.87 0.22 1.03 -0.95 0.00 0.00 178.83 179.88 2jj8 h SER 82 N 0.68 0.28 -0.42 1.46 0.87 -0.97 -0.12 113.55 115.33 2jj8 h SER 82 Ca 0.11 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 2jj8 h SER 82 Cb 0.63 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2jj8 h SER 82 CO 0.04 0.19 -0.29 0.22 -0.53 0.00 0.00 176.83 176.47 2jj8 h TYR 83 N 0.42 1.11 -0.23 2.24 3.20 -0.08 -2.32 116.97 121.31 2jj8 h TYR 83 Ca 0.22 -0.29 0.05 0.00 3.14 0.00 0.00 58.73 61.84 2jj8 h TYR 83 Cb 0.18 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2jj8 h TYR 83 CO -0.13 1.12 -0.06 0.28 -1.64 0.00 0.00 178.16 177.73 2jj8 h VAL 84 N 0.80 0.77 -0.55 1.81 2.07 -0.38 -0.50 116.25 120.27 2jj8 h VAL 84 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 2jj8 h VAL 84 Cb 0.87 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 2jj8 h VAL 84 CO 0.08 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.40 2jj8 h THR 85 N -0.00 0.55 -0.43 2.57 2.02 -0.88 -0.13 112.91 116.61 2jj8 h THR 85 Ca 0.11 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2jj8 h THR 85 Cb 0.17 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2jj8 h THR 85 CO -0.24 0.02 0.28 0.25 0.37 0.00 0.00 175.52 176.21 2jj8 h LEU 86 N 0.11 0.49 -1.09 2.58 5.85 -0.80 -1.92 115.31 120.54 2jj8 h LEU 86 Ca 0.28 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2jj8 h LEU 86 Cb 0.44 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2jj8 h LEU 86 CO -0.47 0.36 0.05 0.71 -0.34 0.00 0.00 178.44 178.75 2jj8 h THR 87 N 0.58 1.22 -0.22 1.05 1.35 0.18 -0.29 112.91 116.78 2jj8 h THR 87 Ca 0.16 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2jj8 h THR 87 Cb -0.07 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 2jj8 h THR 87 CO -0.03 0.30 0.12 0.24 -0.25 0.00 0.00 175.52 175.90 2jj8 h MET 88 N 0.66 0.30 -0.92 4.72 2.86 -0.72 -0.41 114.93 121.43 2jj8 h MET 88 Ca 0.14 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2jj8 h MET 88 Cb 0.34 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2jj8 h MET 88 CO 0.01 0.28 0.60 -0.07 1.06 0.00 0.00 176.91 178.78 2jj8 h LEU 89 N 0.25 0.97 -0.03 1.22 3.38 -0.53 0.53 115.31 121.11 2jj8 h LEU 89 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jj8 h LEU 89 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jj8 h LEU 89 CO -0.01 0.66 0.02 1.56 0.09 0.00 0.00 178.44 180.75 2jj8 h GLN 90 N 1.12 0.03 0.12 1.13 4.20 -0.20 0.12 115.11 121.64 2jj8 h GLN 90 Ca 0.37 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 2jj8 h GLN 90 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2jj8 h GLN 90 CO -0.12 0.02 -0.06 0.77 -0.67 0.00 0.00 178.83 178.77 2jj8 h SER 91 N 0.03 -0.14 -0.71 1.46 0.02 -0.45 -1.31 113.55 112.45 2jj8 h SER 91 Ca 0.01 -0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.06 2jj8 h SER 91 Cb -0.00 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2jj8 h SER 91 CO -0.00 -0.05 0.48 0.45 -1.14 0.00 0.00 176.83 176.57 2jj8 h HIS 92 N -0.23 0.38 -0.02 3.45 3.86 0.55 -2.53 115.15 120.61 2jj8 h HIS 92 Ca -0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2jj8 h HIS 92 Cb 0.18 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2jj8 h HIS 92 CO -0.05 0.15 -0.11 0.25 0.86 0.00 0.00 177.93 179.02 2jj8 n THR 93 N -4.45 0.00 -1.68 2.45 -2.24 0.36 -4.66 114.28 104.06 2jj8 n THR 93 Ca 0.13 -0.44 -0.44 0.00 -2.27 0.00 0.00 64.05 61.03 2jj8 n THR 93 Cb 0.55 1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 2jj8 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jj8 n ALA 94 N 0.44 1.12 -1.97 6.98 0.00 -0.50 -4.97 120.51 121.62 2jj8 n ALA 94 Ca 0.08 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 2jj8 n ALA 94 Cb 0.34 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 2jj8 n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jj8 s PRO 95 N -1.09 3.72 -0.20 0.00 0.04 -1.26 -4.99 135.00 131.23 2jj8 s PRO 95 Ca 0.62 0.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 2jj8 s PRO 95 Cb -0.62 -2.18 0.08 0.00 0.04 0.00 0.00 34.50 31.82 2jj8 s PRO 95 CO 0.55 -0.35 0.76 -0.08 0.04 0.00 0.00 177.00 177.92 2jj8 s THR 96 N -2.83 0.00 -1.82 1.26 -1.32 -1.26 -5.04 115.64 104.63 2jj8 s THR 96 Ca 0.54 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.28 2jj8 s THR 96 Cb -0.10 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.12 2jj8 s THR 96 CO 0.43 0.00 1.49 -0.46 -2.21 0.00 0.00 174.62 173.87 2jj8 n ASN 97 N 1.99 1.20 -4.76 8.08 2.04 -1.26 -4.85 115.26 117.70 2jj8 n ASN 97 Ca -0.15 -1.01 -0.33 0.00 -0.44 0.00 0.00 54.58 52.65 2jj8 n ASN 97 Cb 0.56 0.19 0.05 0.00 -2.53 0.00 0.00 39.78 38.05 2jj8 n ASN 97 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2jj8 s LYS 98 N -2.48 2.69 0.00 -3.83 -0.14 -1.26 -4.96 119.74 109.75 2jj8 s LYS 98 Ca 0.24 1.46 0.26 0.00 -1.36 0.00 0.00 55.97 56.56 2jj8 s LYS 98 Cb 0.19 -1.93 0.76 0.00 -1.68 0.00 0.00 37.83 35.17 2jj8 s LYS 98 CO 0.52 -1.35 1.58 1.63 -0.76 0.00 0.00 175.35 176.97 2jj8 n LYS 99 N -2.45 1.89 -3.70 1.68 4.76 -1.25 -4.64 118.16 114.44 2jj8 n LYS 99 Ca 0.11 -1.30 -0.14 0.00 -2.87 0.00 0.00 58.31 54.11 2jj8 n LYS 99 Cb 0.52 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 32.15 2jj8 n LYS 99 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2jj8 s LEU 100 N -1.91 0.16 -0.02 -0.35 2.96 -1.26 -4.03 118.68 114.24 2jj8 s LEU 100 Ca 0.35 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 2jj8 s LEU 100 Cb 0.20 1.67 0.03 0.00 0.50 0.00 0.00 46.19 48.60 2jj8 s LEU 100 CO 0.31 -0.21 0.02 -0.75 -1.32 0.00 0.00 176.35 174.41 2jj8 s LYS 101 N 0.08 0.03 -0.08 1.98 2.20 -0.42 -0.92 119.74 122.60 2jj8 s LYS 101 Ca -0.01 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 2jj8 s LYS 101 Cb -0.03 -0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.00 2jj8 s LYS 101 CO 0.01 -0.16 -0.17 0.42 -0.36 0.00 0.00 175.35 175.09 2jj8 s ILE 102 N 1.06 1.53 -0.05 5.43 1.01 0.37 -0.12 121.20 130.43 2jj8 s ILE 102 Ca -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 59.90 2jj8 s ILE 102 Cb -0.13 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2jj8 s ILE 102 CO -0.03 0.44 -0.19 -0.04 0.00 0.00 0.00 174.94 175.12 2jj8 s MET 103 N 0.55 2.50 -0.44 2.79 -1.94 0.14 -1.68 119.30 121.21 2jj8 s MET 103 Ca -0.16 -0.80 -0.25 0.00 -1.71 0.00 0.00 55.69 52.77 2jj8 s MET 103 Cb -0.17 -2.27 0.02 0.00 2.01 0.00 0.00 34.83 34.42 2jj8 s MET 103 CO 0.06 0.52 0.90 -2.00 -0.01 0.00 0.00 175.02 174.49 2jj8 s GLU 104 N -0.48 3.58 0.37 2.03 2.12 -0.58 -0.37 118.70 125.36 2jj8 s GLU 104 Ca 0.06 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.59 2jj8 s GLU 104 Cb -0.12 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2jj8 s GLU 104 CO 0.01 -1.15 0.00 0.54 -0.54 0.00 0.00 175.26 174.12 2jj8 n ARG 105 N 7.02 -1.97 -3.86 4.30 1.74 0.21 -3.32 116.66 120.79 2jj8 n ARG 105 Ca 0.06 1.29 -0.05 0.00 -0.77 0.00 0.00 57.85 58.38 2jj8 n ARG 105 Cb 0.48 -2.40 0.02 0.00 -1.02 0.00 0.00 32.46 29.55 2jj8 n ARG 105 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jj8 s SER 106 N -5.65 0.01 0.40 0.55 1.04 -1.26 -4.76 113.70 104.04 2jj8 s SER 106 Ca 0.00 -0.85 0.10 0.00 0.48 0.00 0.00 55.95 55.68 2jj8 s SER 106 Cb 0.00 0.62 0.85 0.00 0.10 0.00 0.00 66.02 67.59 2jj8 s SER 106 CO 0.00 -1.24 1.96 -0.29 0.98 0.00 0.00 173.24 174.65 2jj8 h ILE 107 N 2.00 1.15 -0.28 -1.02 2.10 -1.92 -2.80 117.51 116.73 2jj8 h ILE 107 Ca -0.29 -0.63 -0.09 0.00 1.08 0.00 0.00 64.86 64.93 2jj8 h ILE 107 Cb 1.23 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 38.06 2jj8 h ILE 107 CO 0.38 0.20 -0.17 -0.26 -1.08 0.00 0.00 178.15 177.23 2jj8 h PHE 108 N 0.24 0.71 -0.52 2.19 -1.00 -1.99 -1.26 116.94 115.31 2jj8 h PHE 108 Ca 0.05 -0.19 -0.06 0.00 2.81 0.00 0.00 57.97 60.59 2jj8 h PHE 108 Cb 0.28 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 2jj8 h PHE 108 CO 0.00 0.87 0.10 0.66 -1.61 0.00 0.00 178.31 178.33 2jj8 h SER 109 N 0.35 0.82 -0.73 2.17 4.64 -1.93 -0.04 113.55 118.82 2jj8 h SER 109 Ca 0.06 -0.25 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2jj8 h SER 109 Cb 0.70 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 2jj8 h SER 109 CO 0.05 0.86 0.39 0.00 -0.87 0.00 0.00 176.83 177.26 2jj8 h ALA 110 N 0.99 1.01 0.28 5.18 0.00 -1.35 0.23 119.26 125.59 2jj8 h ALA 110 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jj8 h ALA 110 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jj8 h ALA 110 CO 0.01 0.01 -0.14 -0.09 0.00 0.00 0.00 179.25 179.05 2jj8 h ARG 111 N 0.67 -0.37 0.00 0.00 2.43 -1.03 -0.56 114.38 115.53 2jj8 h ARG 111 Ca 0.35 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.44 2jj8 h ARG 111 Cb 0.32 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2jj8 h ARG 111 CO -0.24 -0.21 -0.51 1.88 -1.51 0.00 0.00 179.97 179.38 2jj8 h TYR 112 N -1.09 0.00 0.00 2.20 0.99 -0.99 -2.78 116.97 115.30 2jj8 h TYR 112 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2jj8 h TYR 112 Cb 0.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.06 2jj8 h TYR 112 CO 0.01 0.51 -0.64 0.00 -0.00 0.00 0.00 178.16 178.04 2jj8 h PHE 114 N -0.64 0.65 -0.18 0.00 -1.00 -1.42 -1.59 116.94 112.76 2jj8 h PHE 114 Ca 0.00 -0.29 -0.06 0.00 2.81 0.00 0.00 57.97 60.44 2jj8 h PHE 114 Cb 0.64 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 2jj8 h PHE 114 CO -0.27 1.06 -0.10 0.28 -1.61 0.00 0.00 178.31 177.66 2jj8 h VAL 115 N 0.05 1.32 -0.65 -0.55 2.07 -1.17 -2.01 116.25 115.31 2jj8 h VAL 115 Ca -0.03 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 2jj8 h VAL 115 Cb 1.11 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2jj8 h VAL 115 CO 0.10 0.35 0.33 -0.08 0.02 0.00 0.00 177.57 178.29 2jj8 h GLU 116 N 0.07 0.91 -0.50 1.57 4.57 -1.54 -1.24 114.58 118.41 2jj8 h GLU 116 Ca 0.04 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 2jj8 h GLU 116 Cb 0.60 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2jj8 h GLU 116 CO 0.03 0.68 -0.15 -0.97 -1.18 0.00 0.00 179.01 177.42 2jj8 h ASN 117 N 0.91 1.00 0.28 1.04 -0.00 -1.19 -2.45 115.58 115.16 2jj8 h ASN 117 Ca 0.23 -0.37 -0.05 0.00 -0.00 0.00 0.00 56.30 56.11 2jj8 h ASN 117 Cb 0.06 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.10 2jj8 h ASN 117 CO -0.03 1.14 -0.25 0.24 -0.00 0.00 0.00 177.43 178.53 2jj8 h MET 118 N 0.85 0.00 0.38 6.67 2.86 -0.55 -1.51 114.93 123.64 2jj8 h MET 118 Ca 0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2jj8 h MET 118 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2jj8 h MET 118 CO 0.06 0.25 -0.18 -0.09 1.06 0.00 0.00 176.91 178.00 2jj8 h ARG 119 N 0.00 -0.49 -0.49 1.72 2.43 -1.06 0.15 114.38 116.64 2jj8 h ARG 119 Ca -0.00 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 2jj8 h ARG 119 Cb 0.45 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 2jj8 h ARG 119 CO 0.03 -0.22 -0.14 0.00 -1.51 0.00 0.00 179.97 178.13 2jj8 h ARG 120 N -0.71 -0.02 -0.32 0.20 3.08 -0.94 0.21 114.38 115.88 2jj8 h ARG 120 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jj8 h ARG 120 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jj8 h ARG 120 CO 0.09 -0.01 0.00 0.27 -1.07 0.00 0.00 179.97 179.24 2jj8 n ASN 121 N -5.37 1.31 -1.80 7.04 6.94 -0.62 -4.92 115.26 117.84 2jj8 n ASN 121 Ca 0.04 -2.04 -0.20 0.00 -0.02 0.00 0.00 54.58 52.36 2jj8 n ASN 121 Cb 0.27 -0.20 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 2jj8 n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jj8 n GLY 122 N 0.73 1.11 0.29 4.83 0.00 0.06 -4.87 105.19 107.33 2jj8 n GLY 122 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2jj8 n GLY 122 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jj8 h SER 123 N 0.00 0.99 -3.48 1.61 0.02 -1.24 -3.39 113.55 108.05 2jj8 h SER 123 Ca -0.43 -0.33 -0.71 0.00 -0.84 0.00 0.00 61.79 59.48 2jj8 h SER 123 Cb 1.32 -0.27 -0.20 0.00 0.14 0.00 0.00 62.40 63.40 2jj8 h SER 123 CO 0.59 1.11 -0.29 -0.76 -1.14 0.00 0.00 176.83 176.34 2jj8 s LEU 124 N -9.15 5.05 0.84 5.07 1.43 -0.72 -4.19 118.68 117.02 2jj8 s LEU 124 Ca -0.11 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.04 2jj8 s LEU 124 Cb 0.13 -2.28 0.10 0.00 0.03 0.00 0.00 46.19 44.17 2jj8 s LEU 124 CO 0.86 -0.56 1.12 -1.61 0.23 0.00 0.00 176.35 176.39 2jj8 s GLU 125 N 1.93 1.70 0.25 1.70 2.02 -1.26 -4.48 118.70 120.57 2jj8 s GLU 125 Ca 0.09 1.33 -0.06 0.00 0.02 0.00 0.00 54.97 56.35 2jj8 s GLU 125 Cb -0.19 -1.82 0.47 0.00 0.10 0.00 0.00 34.13 32.69 2jj8 s GLU 125 CO 0.11 -2.08 1.63 0.37 0.02 0.00 0.00 175.26 175.31 2jj8 h GLN 126 N -1.46 0.09 -0.67 1.61 5.75 -1.97 -0.77 115.11 117.69 2jj8 h GLN 126 Ca -0.43 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.01 2jj8 h GLN 126 Cb 1.25 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 2jj8 h GLN 126 CO 0.47 0.06 0.22 0.78 -2.65 0.00 0.00 178.83 177.71 2jj8 h GLY 127 N 0.10 1.10 0.65 2.39 0.00 -1.99 -1.86 103.07 103.46 2jj8 h GLY 127 Ca 0.43 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2jj8 h GLY 127 CO -0.70 0.59 -0.04 -0.33 0.00 0.00 0.00 176.54 176.07 2jj8 h MET 128 N 0.99 -0.10 -0.53 4.80 2.86 -1.53 -2.66 114.93 118.77 2jj8 h MET 128 Ca 0.22 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.96 2jj8 h MET 128 Cb 0.27 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.88 2jj8 h MET 128 CO -0.01 0.25 0.09 -0.92 1.06 0.00 0.00 176.91 177.38 2jj8 h TYR 129 N -0.45 0.13 -0.54 -0.22 3.20 -1.29 -2.43 116.97 115.37 2jj8 h TYR 129 Ca -0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2jj8 h TYR 129 Cb 0.39 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2jj8 h TYR 129 CO 0.04 -0.04 0.22 -0.91 -1.64 0.00 0.00 178.16 175.83 2jj8 h ASN 130 N 0.22 0.71 -0.28 -2.11 2.35 -1.34 -1.31 115.58 113.82 2jj8 h ASN 130 Ca 0.27 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2jj8 h ASN 130 Cb 0.39 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2jj8 h ASN 130 CO -0.37 0.64 0.05 0.74 -1.65 0.00 0.00 177.43 176.83 2jj8 h THR 131 N 0.77 1.23 -0.71 2.81 2.02 -1.07 -0.13 112.91 117.84 2jj8 h THR 131 Ca 0.19 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.61 2jj8 h THR 131 Cb 0.15 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2jj8 h THR 131 CO -0.02 0.26 0.45 -0.07 0.37 0.00 0.00 175.52 176.50 2jj8 h LEU 132 N 0.29 0.74 -0.52 2.58 3.38 -1.19 -1.94 115.31 118.64 2jj8 h LEU 132 Ca 0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jj8 h LEU 132 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jj8 h LEU 132 CO 0.01 0.51 0.15 -0.33 0.09 0.00 0.00 178.44 178.87 2jj8 h GLU 133 N 0.88 0.82 -0.63 1.13 4.39 -0.90 0.19 114.58 120.45 2jj8 h GLU 133 Ca 0.28 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2jj8 h GLU 133 Cb 0.00 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2jj8 h GLU 133 CO -0.10 0.76 0.41 0.93 -1.16 0.00 0.00 179.01 179.85 2jj8 h GLU 134 N 0.72 0.80 -0.29 2.33 4.39 -0.90 -1.05 114.58 120.57 2jj8 h GLU 134 Ca 0.17 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2jj8 h GLU 134 Cb 0.30 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2jj8 h GLU 134 CO -0.00 0.53 0.16 -1.49 -1.16 0.00 0.00 179.01 177.05 2jj8 h TRP 135 N 0.83 0.30 -0.97 4.33 4.06 -0.97 -1.22 115.95 122.31 2jj8 h TRP 135 Ca 0.23 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.33 2jj8 h TRP 135 Cb -0.07 -0.09 -0.09 0.00 -1.00 0.00 0.00 29.16 27.90 2jj8 h TRP 135 CO -0.03 0.17 0.59 1.88 -3.56 0.00 0.00 178.44 177.49 2jj8 h TYR 136 N 0.33 1.06 -0.42 0.49 0.99 0.16 0.24 116.97 119.82 2jj8 h TYR 136 Ca 0.12 0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.74 2jj8 h TYR 136 Cb 0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.41 2jj8 h TYR 136 CO -0.09 0.37 -0.30 0.87 -0.00 0.00 0.00 178.16 179.01 2jj8 h LYS 137 N 0.89 0.95 -0.13 4.88 1.57 -1.01 -2.56 116.57 121.17 2jj8 h LYS 137 Ca 0.50 -0.46 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 2jj8 h LYS 137 Cb 0.58 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2jj8 h LYS 137 CO -0.30 1.12 -0.49 0.35 -0.57 0.00 0.00 179.45 179.57 2jj8 h PHE 138 N 0.78 0.40 -0.67 -1.35 3.57 -0.24 -2.95 116.94 116.49 2jj8 h PHE 138 Ca 0.08 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2jj8 h PHE 138 Cb 0.89 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2jj8 h PHE 138 CO 0.06 0.75 0.32 0.82 -2.23 0.00 0.00 178.31 178.04 2jj8 h ILE 139 N 0.26 1.23 0.00 1.41 2.04 -0.46 -2.13 117.51 119.85 2jj8 h ILE 139 Ca 0.01 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 2jj8 h ILE 139 Cb 0.96 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2jj8 h ILE 139 CO 0.08 0.26 -0.18 1.05 0.00 0.00 0.00 178.15 179.36 2jj8 h GLU 140 N 0.93 0.00 0.00 2.37 4.11 -1.29 0.16 114.58 120.86 2jj8 h GLU 140 Ca 0.23 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 2jj8 h GLU 140 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2jj8 h GLU 140 CO -0.03 0.18 -0.72 0.93 0.07 0.00 0.00 179.01 179.44 2jj8 h GLU 141 N 0.00 0.00 0.00 1.06 5.08 -1.34 -3.40 114.58 115.97 2jj8 h GLU 141 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2jj8 h GLU 141 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2jj8 h GLU 141 CO 0.02 0.72 -1.41 -1.13 -1.00 0.00 0.00 179.01 176.21 2jj8 n SER 142 N -3.50 3.49 -4.21 1.42 3.41 -0.84 -4.86 113.62 108.52 2jj8 n SER 142 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2jj8 n SER 142 Cb 0.75 0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 65.22 2jj8 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jj8 s ILE 143 N -2.17 2.12 -0.28 -1.33 1.01 0.52 -1.24 121.20 119.83 2jj8 s ILE 143 Ca -0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 2jj8 s ILE 143 Cb 0.02 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2jj8 s ILE 143 CO 0.25 0.55 1.22 -2.28 0.00 0.00 0.00 174.94 174.69 2jj8 s HIS 144 N 0.52 2.87 -0.50 3.97 5.65 -0.04 -4.58 115.29 123.18 2jj8 s HIS 144 Ca -0.14 1.01 -0.12 0.00 0.25 0.00 0.00 55.06 56.06 2jj8 s HIS 144 Cb -0.17 -3.74 0.12 0.00 -1.18 0.00 0.00 32.58 27.61 2jj8 s HIS 144 CO 0.05 -1.40 0.41 0.08 -0.65 0.00 0.00 174.74 173.23 2jj8 s VAL 145 N 3.96 4.63 0.01 0.89 1.01 -1.26 -4.79 120.40 124.86 2jj8 s VAL 145 Ca 0.52 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2jj8 s VAL 145 Cb -0.16 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 2jj8 s VAL 145 CO 0.19 -0.80 1.56 -1.58 0.00 0.00 0.00 175.10 174.46 2jj8 s GLN 146 N 1.46 4.22 -0.27 2.72 2.00 -1.26 -4.98 119.66 123.56 2jj8 s GLN 146 Ca 0.05 2.16 -0.01 0.00 -2.00 0.00 0.00 55.36 55.56 2jj8 s GLN 146 Cb -0.28 -3.68 0.15 0.00 0.80 0.00 0.00 33.01 30.01 2jj8 s GLN 146 CO 0.01 -0.70 0.42 0.00 -0.50 0.00 0.00 175.29 174.52 2jj8 s ALA 147 N 2.88 -1.33 -0.15 1.58 0.00 -1.26 -4.85 121.76 118.62 2jj8 s ALA 147 Ca 0.70 0.81 0.15 0.00 0.00 0.00 0.00 51.96 53.62 2jj8 s ALA 147 Cb -0.35 -1.91 -0.21 0.00 0.00 0.00 0.00 23.12 20.65 2jj8 s ALA 147 CO 0.29 -1.45 0.08 -0.25 0.00 0.00 0.00 175.76 174.43 2jj8 n ASP 148 N 5.37 0.92 -3.68 0.00 8.00 -0.58 -4.86 116.55 121.73 2jj8 n ASP 148 Ca -0.02 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.39 2jj8 n ASP 148 Cb 0.50 0.97 -0.10 0.00 -0.02 0.00 0.00 41.12 42.48 2jj8 n ASP 148 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jj8 s LEU 149 N -5.14 -0.41 -0.10 0.64 2.96 -1.04 -3.87 118.68 111.71 2jj8 s LEU 149 Ca -0.08 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.79 2jj8 s LEU 149 Cb 0.05 1.61 -0.05 0.00 0.50 0.00 0.00 46.19 48.30 2jj8 s LEU 149 CO 0.68 -0.21 0.25 -0.63 -1.32 0.00 0.00 176.35 175.13 2jj8 s ILE 150 N 1.71 5.31 -0.32 6.68 1.01 -0.26 -0.41 121.20 134.93 2jj8 s ILE 150 Ca -0.08 0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 2jj8 s ILE 150 Cb -0.08 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.86 2jj8 s ILE 150 CO -0.15 0.53 0.09 -0.63 0.00 0.00 0.00 174.94 174.78 2jj8 s ILE 151 N -0.54 3.75 -0.46 2.92 1.01 0.13 -1.14 121.20 126.86 2jj8 s ILE 151 Ca 0.17 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 2jj8 s ILE 151 Cb -0.13 -3.07 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2jj8 s ILE 151 CO 0.06 -0.09 0.63 -0.47 0.00 0.00 0.00 174.94 175.07 2jj8 s TYR 152 N 1.42 3.06 -1.27 3.97 5.04 -0.20 -1.30 117.35 128.07 2jj8 s TYR 152 Ca -0.01 -0.25 -0.17 0.00 -2.44 0.00 0.00 57.07 54.20 2jj8 s TYR 152 Cb -0.19 -3.39 0.09 0.00 0.35 0.00 0.00 41.96 38.83 2jj8 s TYR 152 CO 0.02 -0.93 1.67 -0.51 -1.34 0.00 0.00 175.55 174.47 2jj8 s LEU 153 N 2.73 4.06 0.19 6.97 1.43 -0.42 -0.66 118.68 132.98 2jj8 s LEU 153 Ca 0.19 -2.52 -0.30 0.00 -1.03 0.00 0.00 54.13 50.47 2jj8 s LEU 153 Cb -0.16 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 2jj8 s LEU 153 CO 0.16 -1.10 1.30 -0.60 0.23 0.00 0.00 176.35 176.34 2jj8 s ARG 154 N 3.74 4.40 0.26 1.70 3.52 -0.58 -4.40 118.95 127.60 2jj8 s ARG 154 Ca 0.52 2.02 0.05 0.00 -0.13 0.00 0.00 55.73 58.19 2jj8 s ARG 154 Cb 0.03 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2jj8 s ARG 154 CO 0.06 -0.24 0.25 0.25 -0.81 0.00 0.00 175.30 174.81 2jj8 n THR 155 N 2.72 0.00 -4.72 4.11 -2.24 -1.26 -0.94 114.28 111.95 2jj8 n THR 155 Ca 0.06 -1.83 -0.33 0.00 -2.27 0.00 0.00 64.05 59.68 2jj8 n THR 155 Cb 0.43 0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 2jj8 n THR 155 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jj8 s SER 156 N -2.81 4.38 0.33 3.42 1.04 -1.26 -5.01 113.70 113.79 2jj8 s SER 156 Ca 0.30 -0.12 0.12 0.00 0.48 0.00 0.00 55.95 56.73 2jj8 s SER 156 Cb 0.01 -1.15 1.00 0.00 0.10 0.00 0.00 66.02 65.98 2jj8 s SER 156 CO 0.21 0.32 1.68 -0.65 0.98 0.00 0.00 173.24 175.79 2jj8 h PRO 157 N 5.53 0.39 -0.36 4.02 0.11 -1.97 0.85 132.00 140.57 2jj8 h PRO 157 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2jj8 h PRO 157 Cb 1.17 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2jj8 h PRO 157 CO 0.53 0.26 0.04 0.93 -0.21 0.00 0.00 178.00 179.54 2jj8 h GLU 158 N 0.40 0.61 -0.43 1.05 3.07 -1.94 0.28 114.58 117.61 2jj8 h GLU 158 Ca 0.69 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 59.35 2jj8 h GLU 158 Cb 1.49 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.32 2jj8 h GLU 158 CO -0.57 0.69 0.15 0.28 -1.40 0.00 0.00 179.01 178.16 2jj8 h VAL 159 N 0.44 1.21 -0.94 3.13 2.07 -1.30 -1.91 116.25 118.95 2jj8 h VAL 159 Ca 0.11 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2jj8 h VAL 159 Cb 0.39 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2jj8 h VAL 159 CO 0.01 0.25 0.61 0.00 0.02 0.00 0.00 177.57 178.46 2jj8 h ALA 160 N 1.00 1.43 -0.20 1.67 0.00 -1.01 -2.45 119.26 119.69 2jj8 h ALA 160 Ca 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jj8 h ALA 160 Cb 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2jj8 h ALA 160 CO -0.01 0.46 -0.07 -0.92 0.00 0.00 0.00 179.25 178.71 2jj8 h TYR 161 N 1.14 -0.16 -0.95 0.00 3.20 0.34 -2.60 116.97 117.95 2jj8 h TYR 161 Ca 0.39 0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.55 2jj8 h TYR 161 Cb 0.08 0.10 -0.14 0.00 1.54 0.00 0.00 36.73 38.31 2jj8 h TYR 161 CO -0.00 -0.12 0.41 0.93 -1.64 0.00 0.00 178.16 177.75 2jj8 h GLU 162 N -0.03 0.27 -4.27 1.82 5.08 -0.99 -3.50 114.58 112.96 2jj8 h GLU 162 Ca 0.10 -0.02 -0.71 0.00 -1.00 0.00 0.00 59.36 57.73 2jj8 h GLU 162 Cb 0.19 -0.06 -0.32 0.00 0.50 0.00 0.00 28.75 29.06 2jj8 h GLU 162 CO -0.22 0.18 -0.42 1.03 -1.00 0.00 0.00 179.01 178.57 2jj8 s ARG 163 N -5.80 2.36 -0.69 2.33 0.52 -0.98 -5.15 118.95 111.54 2jj8 s ARG 163 Ca -0.11 -1.89 0.04 0.00 -0.52 0.00 0.00 55.73 53.26 2jj8 s ARG 163 Cb 0.28 -3.81 0.29 0.00 0.52 0.00 0.00 34.95 32.23 2jj8 s ARG 163 CO 0.78 -1.16 0.96 0.00 0.02 0.00 0.00 175.30 175.90 2jj8 s VAL 175 N -3.24 4.17 0.80 0.00 1.01 -1.26 -5.04 120.40 116.84 2jj8 s VAL 175 Ca 0.42 1.76 -0.13 0.00 0.00 0.00 0.00 61.98 64.02 2jj8 s VAL 175 Cb 0.18 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.69 2jj8 s VAL 175 CO -0.04 0.10 1.21 -2.84 0.00 0.00 0.00 175.10 173.53 2jj8 s PRO 176 N -2.16 1.65 0.18 2.72 0.02 -1.26 -4.94 135.00 131.21 2jj8 s PRO 176 Ca 0.52 1.78 -0.06 0.00 0.02 0.00 0.00 61.00 63.26 2jj8 s PRO 176 Cb -0.18 -1.77 0.09 0.00 0.02 0.00 0.00 34.50 32.65 2jj8 s PRO 176 CO 0.24 -2.21 1.53 1.25 -0.33 0.00 0.00 177.00 177.48 2jj8 h LEU 177 N -0.85 0.79 -1.08 -5.54 5.85 -1.96 -3.14 115.31 109.38 2jj8 h LEU 177 Ca -0.46 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 57.95 2jj8 h LEU 177 Cb 1.30 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 2jj8 h LEU 177 CO 0.46 1.10 0.62 0.50 -0.34 0.00 0.00 178.44 180.78 2jj8 h LYS 178 N 0.60 1.11 -0.36 1.25 3.64 -1.99 -1.15 116.57 119.66 2jj8 h LYS 178 Ca 0.05 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jj8 h LYS 178 Cb 0.96 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2jj8 h LYS 178 CO 0.09 0.73 0.22 -0.92 -2.27 0.00 0.00 179.45 177.30 2jj8 h TYR 179 N 1.14 0.48 -0.24 1.91 3.20 -1.94 -1.20 116.97 120.32 2jj8 h TYR 179 Ca 0.39 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.21 2jj8 h TYR 179 Cb 0.11 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2jj8 h TYR 179 CO -0.00 0.35 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.73 2jj8 h LEU 180 N 0.47 0.36 -0.15 2.82 3.38 -1.30 -0.75 115.31 120.13 2jj8 h LEU 180 Ca 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jj8 h LEU 180 Cb 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jj8 h LEU 180 CO -0.02 0.48 -0.03 1.56 0.09 0.00 0.00 178.44 180.52 2jj8 h GLN 181 N 0.37 0.29 -0.14 1.13 4.20 -0.88 -0.33 115.11 119.75 2jj8 h GLN 181 Ca 0.08 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.73 2jj8 h GLN 181 Cb 0.36 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2jj8 h GLN 181 CO 0.02 0.56 -0.23 0.93 -0.67 0.00 0.00 178.83 179.44 2jj8 h GLU 182 N -0.00 -0.28 -0.66 1.46 5.08 -0.93 0.11 114.58 119.35 2jj8 h GLU 182 Ca 0.04 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2jj8 h GLU 182 Cb 0.45 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jj8 h GLU 182 CO 0.01 -0.19 0.32 -0.07 -1.00 0.00 0.00 179.01 178.08 2jj8 h LEU 183 N -0.29 0.84 -0.06 1.33 3.38 -1.14 -1.94 115.31 117.42 2jj8 h LEU 183 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jj8 h LEU 183 Cb 0.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jj8 h LEU 183 CO -0.31 0.71 0.04 -0.74 0.09 0.00 0.00 178.44 178.23 2jj8 h HIS 184 N 0.93 0.08 -0.93 1.13 2.76 -0.49 -0.65 115.15 117.98 2jj8 h HIS 184 Ca 0.23 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2jj8 h HIS 184 Cb 0.09 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 2jj8 h HIS 184 CO 0.01 0.05 0.56 0.93 -1.30 0.00 0.00 177.93 178.17 2jj8 h GLU 185 N 0.08 1.26 -0.53 5.26 4.39 -0.50 0.23 114.58 124.79 2jj8 h GLU 185 Ca 0.02 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2jj8 h GLU 185 Cb -0.01 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.36 2jj8 h GLU 185 CO -0.01 0.89 0.14 -0.07 -1.16 0.00 0.00 179.01 178.80 2jj8 h LEU 186 N 1.28 0.79 -0.76 1.33 3.38 -1.15 0.33 115.31 120.52 2jj8 h LEU 186 Ca 0.33 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2jj8 h LEU 186 Cb -0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2jj8 h LEU 186 CO -0.06 0.81 0.26 0.45 0.09 0.00 0.00 178.44 179.99 2jj8 h HIS 187 N 0.74 1.20 -0.23 1.13 3.86 -0.75 -1.58 115.15 119.52 2jj8 h HIS 187 Ca 0.17 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2jj8 h HIS 187 Cb 0.32 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2jj8 h HIS 187 CO 0.02 0.93 0.13 0.93 0.86 0.00 0.00 177.93 180.81 2jj8 h GLU 188 N 1.12 0.31 -0.14 2.45 4.39 -0.56 -0.26 114.58 121.89 2jj8 h GLU 188 Ca 0.25 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.93 2jj8 h GLU 188 Cb 0.28 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jj8 h GLU 188 CO -0.01 0.26 0.05 -0.44 -1.16 0.00 0.00 179.01 177.70 2jj8 h ASP 189 N 0.27 0.06 -0.55 1.42 3.32 -0.21 -0.69 116.42 120.04 2jj8 h ASP 189 Ca 0.08 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2jj8 h ASP 189 Cb 0.03 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2jj8 h ASP 189 CO -0.01 0.05 -0.11 -0.25 -1.72 0.00 0.00 179.24 177.20 2jj8 h TRP 190 N 0.12 1.17 0.00 4.55 7.01 -1.19 -3.30 115.95 124.31 2jj8 h TRP 190 Ca 0.06 -0.24 -0.09 0.00 2.11 0.00 0.00 58.89 60.72 2jj8 h TRP 190 Cb 0.03 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 2jj8 h TRP 190 CO -0.11 1.08 -1.81 1.28 -2.79 0.00 0.00 178.44 176.09 2jj8 n LEU 191 N -4.14 0.00 -0.06 0.65 4.77 -0.12 -4.78 117.00 113.32 2jj8 n LEU 191 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2jj8 n LEU 191 Cb 0.41 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2jj8 n LEU 191 CO 0.46 0.13 -0.69 -0.38 -1.33 0.00 0.00 177.39 175.57 2jj8 n ILE 192 N -2.22 1.24 0.06 -0.08 2.08 -0.31 -4.97 119.36 115.17 2jj8 n ILE 192 Ca -0.10 0.05 -0.21 0.00 0.56 0.00 0.00 62.75 63.05 2jj8 n ILE 192 Cb 0.61 -1.95 -0.14 0.00 -0.75 0.00 0.00 39.64 37.41 2jj8 n ILE 192 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 2jj8 h HIS 193 N -0.64 0.65 0.00 1.39 3.86 -1.52 -3.50 115.15 115.39 2jj8 h HIS 193 Ca -0.17 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.58 2jj8 h HIS 193 Cb 0.93 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2jj8 h HIS 193 CO -0.19 1.34 -0.58 -0.35 0.86 0.00 0.00 177.93 179.01 2jj8 n PRO 197 N -4.05 0.31 -1.82 2.45 -0.04 -1.26 -4.87 135.00 125.71 2jj8 n PRO 197 Ca -0.14 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 2jj8 n PRO 197 Cb 0.86 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 33.27 2jj8 n PRO 197 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jj8 n GLN 198 N -3.64 -1.27 -0.37 0.54 7.27 -1.26 -4.91 117.38 113.74 2jj8 n GLN 198 Ca -0.08 1.32 -0.06 0.00 0.07 0.00 0.00 57.00 58.24 2jj8 n GLN 198 Cb 0.30 -2.20 0.06 0.00 2.41 0.00 0.00 30.24 30.81 2jj8 n GLN 198 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2jj8 n SER 199 N 0.43 3.14 -4.73 1.69 7.64 -1.26 -4.88 113.62 115.65 2jj8 n SER 199 Ca -0.10 -2.47 -0.41 0.00 1.01 0.00 0.00 58.87 56.90 2jj8 n SER 199 Cb 0.15 -0.60 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 2jj8 n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jj8 s LYS 201 N 0.14 4.37 -0.01 0.00 -0.14 -1.25 -4.84 119.74 118.00 2jj8 s LYS 201 Ca 0.49 2.05 0.02 0.00 -1.36 0.00 0.00 55.97 57.17 2jj8 s LYS 201 Cb -0.24 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.66 2jj8 s LYS 201 CO 0.30 -0.29 -0.05 0.08 -0.76 0.00 0.00 175.35 174.63 2jj8 s VAL 202 N 0.35 3.80 -0.30 3.17 1.01 -1.26 -1.10 120.40 126.08 2jj8 s VAL 202 Ca 0.58 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2jj8 s VAL 202 Cb -0.36 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.46 2jj8 s VAL 202 CO 0.36 0.43 0.06 -0.22 0.00 0.00 0.00 175.10 175.74 2jj8 s LEU 203 N -1.33 2.69 0.00 3.92 2.96 -0.29 -4.96 118.68 121.67 2jj8 s LEU 203 Ca 0.17 -1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 52.17 2jj8 s LEU 203 Cb -0.11 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 2jj8 s LEU 203 CO 0.07 -0.38 0.94 -0.69 -1.32 0.00 0.00 176.35 174.97 2jj8 s VAL 204 N 1.47 4.86 -0.02 1.68 1.01 -1.26 -1.03 120.40 127.10 2jj8 s VAL 204 Ca 0.07 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.10 2jj8 s VAL 204 Cb -0.18 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2jj8 s VAL 204 CO -0.18 0.19 -0.24 -0.76 0.00 0.00 0.00 175.10 174.11 2jj8 s LEU 205 N 0.87 2.05 -0.52 3.92 1.43 0.17 -4.95 118.68 121.65 2jj8 s LEU 205 Ca 0.49 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 2jj8 s LEU 205 Cb -0.21 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.79 2jj8 s LEU 205 CO 0.27 0.30 1.03 -0.62 0.23 0.00 0.00 176.35 177.55 2jj8 s ASP 206 N -0.56 6.46 -0.56 2.29 3.68 -1.26 -1.52 116.67 125.20 2jj8 s ASP 206 Ca 0.09 0.03 0.01 0.00 2.13 0.00 0.00 52.55 54.81 2jj8 s ASP 206 Cb -0.10 -2.49 0.55 0.00 -1.45 0.00 0.00 42.92 39.44 2jj8 s ASP 206 CO -0.01 -1.24 1.96 0.00 0.13 0.00 0.00 175.17 176.01 2jj8 n ALA 207 N 7.67 5.95 0.96 3.66 0.00 -0.12 -4.98 120.51 133.65 2jj8 n ALA 207 Ca 0.06 -3.22 0.11 0.00 0.00 0.00 0.00 53.44 50.40 2jj8 n ALA 207 Cb 0.48 -1.58 0.10 0.00 0.00 0.00 0.00 19.45 18.45 2jj8 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25