#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 4.30 0.29 -0.78 1.02 -1.26 -5.02 119.74 118.30 2jj8 s LYS 13 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 2jj8 s LYS 13 Cb 0.00 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.33 2jj8 s LYS 13 CO 0.00 0.37 1.57 -0.47 -0.92 0.00 0.00 175.35 175.90 2jj8 s TYR 14 N -1.54 2.78 0.00 3.18 5.04 -0.30 -2.08 117.35 124.43 2jj8 s TYR 14 Ca 0.44 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 2jj8 s TYR 14 Cb -0.17 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.11 2jj8 s TYR 14 CO 0.21 -3.44 0.00 0.00 -1.34 0.00 0.00 175.55 170.98 2jj8 n ALA 15 N 2.11 0.00 -1.83 3.97 0.00 -1.26 -0.81 120.51 122.69 2jj8 n ALA 15 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 2jj8 n ALA 15 Cb 0.38 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.45 4.17 -0.00 0.00 2.12 -0.88 -2.25 118.70 121.41 2jj8 s GLU 16 Ca 0.00 2.48 0.00 0.00 0.36 0.00 0.00 54.97 57.81 2jj8 s GLU 16 Cb 0.00 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2jj8 s GLU 16 CO 0.00 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 2jj8 n GLY 17 N 3.26 0.40 0.49 -1.50 0.00 -1.26 -4.89 105.19 101.69 2jj8 n GLY 17 Ca 0.12 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.79 0.05 -5.20 2.61 -2.24 -0.95 -5.02 114.28 100.73 2jj8 n THR 18 Ca -0.00 -0.53 -0.31 0.00 -2.27 0.00 0.00 64.05 60.94 2jj8 n THR 18 Cb 0.11 1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.99 2.21 0.95 -0.78 -1.52 -1.26 -4.59 119.66 113.68 2jj8 s GLN 19 Ca 0.14 -0.87 -0.15 0.00 -1.95 0.00 0.00 55.36 52.53 2jj8 s GLN 19 Cb 0.10 -2.13 0.18 0.00 -0.22 0.00 0.00 33.01 30.94 2jj8 s GLN 19 CO 0.15 0.57 1.27 -1.25 -0.25 0.00 0.00 175.29 175.78 2jj8 s PRO 20 N -0.63 0.77 0.04 2.91 0.04 -1.26 -4.96 135.00 131.90 2jj8 s PRO 20 Ca 0.10 -0.24 -0.38 0.00 0.04 0.00 0.00 61.00 60.53 2jj8 s PRO 20 Cb -0.10 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 2jj8 s PRO 20 CO -0.01 -2.35 1.31 0.34 0.04 0.00 0.00 177.00 176.34 2jj8 n PHE 21 N -3.76 1.38 -4.93 0.56 7.35 -1.26 -4.77 117.46 112.03 2jj8 n PHE 21 Ca 0.13 0.72 -0.28 0.00 -0.76 0.00 0.00 57.45 57.26 2jj8 n PHE 21 Cb 0.60 -2.29 -0.17 0.00 0.35 0.00 0.00 39.48 37.97 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 0.61 1.62 -0.11 -2.13 2.01 -1.26 -1.36 115.64 115.02 2jj8 s THR 22 Ca 0.87 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2jj8 s THR 22 Cb -1.03 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2jj8 s THR 22 CO 0.50 0.46 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.02 2jj8 s VAL 23 N 0.40 2.58 -0.23 3.82 1.01 0.69 -1.41 120.40 127.25 2jj8 s VAL 23 Ca -0.14 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2jj8 s VAL 23 Cb -0.16 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2jj8 s VAL 23 CO 0.06 0.54 0.02 -0.76 0.00 0.00 0.00 175.10 174.96 2jj8 s LEU 24 N 0.28 3.20 -0.46 3.92 1.43 0.29 -1.21 118.68 126.13 2jj8 s LEU 24 Ca -0.13 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 2jj8 s LEU 24 Cb -0.17 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.24 2jj8 s LEU 24 CO 0.07 -0.02 0.89 -0.63 0.23 0.00 0.00 176.35 176.89 2jj8 s ILE 25 N 1.52 4.51 0.23 -0.59 -1.09 0.38 0.18 121.20 126.34 2jj8 s ILE 25 Ca 0.06 0.63 0.09 0.00 -2.23 0.00 0.00 60.65 59.20 2jj8 s ILE 25 Cb -0.15 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 2jj8 s ILE 25 CO 0.01 -0.83 0.00 -1.61 -1.23 0.00 0.00 174.94 171.28 2jj8 s GLU 26 N 3.65 2.35 0.00 2.79 0.41 -0.15 -0.52 118.70 127.23 2jj8 s GLU 26 Ca 0.35 -1.29 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 2jj8 s GLU 26 Cb -0.11 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 2jj8 s GLU 26 CO 0.25 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 2jj8 n GLY 27 N -0.60 2.30 3.61 -1.39 0.00 -1.26 -1.44 105.19 106.41 2jj8 n GLY 27 Ca -0.08 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 2.23 0.20 1.61 3.84 -1.26 -4.89 114.94 116.66 2jj8 s ASN 28 Ca 0.00 1.55 -0.32 0.00 0.21 0.00 0.00 52.86 54.30 2jj8 s ASN 28 Cb 0.00 -2.23 -0.12 0.00 -0.55 0.00 0.00 41.25 38.35 2jj8 s ASN 28 CO 0.00 -3.43 1.70 -0.38 -2.79 0.00 0.00 177.10 172.20 2jj8 n ILE 29 N -4.41 0.01 -2.55 -5.21 5.41 -1.26 -2.16 119.36 109.20 2jj8 n ILE 29 Ca 0.06 -0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.71 2jj8 n ILE 29 Cb 0.55 -1.91 0.01 0.00 -0.71 0.00 0.00 39.64 37.58 2jj8 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jj8 n GLY 30 N 3.88 0.13 0.86 7.39 0.00 -1.26 -4.82 105.19 111.37 2jj8 n GLY 30 Ca 0.16 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.10 2.58 0.00 1.61 3.41 -0.92 -4.50 113.62 115.71 2jj8 n SER 31 Ca -0.06 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2jj8 n SER 31 Cb 0.56 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.32 0.78 0.26 5.00 0.00 -1.26 -4.88 105.19 106.41 2jj8 n GLY 32 Ca 0.17 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 0.67 -0.35 1.61 1.57 -1.92 -0.78 116.57 117.37 2jj8 h LYS 33 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2jj8 h LYS 33 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2jj8 h LYS 33 CO 0.00 0.44 -0.01 1.15 -0.57 0.00 0.00 179.45 180.46 2jj8 h THR 34 N 0.69 1.26 -0.38 -0.16 2.02 -1.99 -1.60 112.91 112.74 2jj8 h THR 34 Ca 0.31 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.54 2jj8 h THR 34 Cb 0.21 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2jj8 h THR 34 CO -0.20 0.33 0.10 0.74 0.37 0.00 0.00 175.52 176.87 2jj8 h THR 35 N 0.43 0.84 -0.75 3.16 2.02 -1.94 -1.74 112.91 114.93 2jj8 h THR 35 Ca 0.10 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2jj8 h THR 35 Cb 0.48 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2jj8 h THR 35 CO 0.02 0.04 0.34 0.22 0.37 0.00 0.00 175.52 176.51 2jj8 h TYR 36 N 0.23 1.08 -0.02 3.16 3.20 -0.87 -2.90 116.97 120.86 2jj8 h TYR 36 Ca 0.18 -0.06 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 2jj8 h TYR 36 Cb 0.19 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2jj8 h TYR 36 CO -0.18 0.80 -0.74 1.25 -1.64 0.00 0.00 178.16 177.66 2jj8 h LEU 37 N 1.07 0.18 -1.37 2.82 5.85 -0.93 -3.03 115.31 119.90 2jj8 h LEU 37 Ca 0.26 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2jj8 h LEU 37 Cb 0.14 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2jj8 h LEU 37 CO -0.03 0.85 0.48 0.78 -0.34 0.00 0.00 178.44 180.18 2jj8 h ASN 38 N 0.09 0.67 -0.82 1.25 2.35 -1.12 -2.26 115.58 115.74 2jj8 h ASN 38 Ca -0.02 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.97 2jj8 h ASN 38 Cb 1.30 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 2jj8 h ASN 38 CO 0.11 0.43 0.62 0.45 -1.65 0.00 0.00 177.43 177.39 2jj8 h HIS 39 N 0.75 0.00 0.00 1.19 3.86 -1.43 0.10 115.15 119.63 2jj8 h HIS 39 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2jj8 h HIS 39 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2jj8 h HIS 39 CO -0.00 0.00 -0.26 1.19 0.86 0.00 0.00 177.93 179.71 2jj8 n PHE 40 N -4.17 0.21 0.25 2.45 3.01 -0.85 -4.26 117.46 114.11 2jj8 n PHE 40 Ca 0.17 0.06 0.07 0.00 1.01 0.00 0.00 57.45 58.76 2jj8 n PHE 40 Cb 0.92 -0.50 0.59 0.00 -0.01 0.00 0.00 39.48 40.48 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 0.00 0.00 0.00 -1.08 4.57 -1.06 0.19 114.58 117.20 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 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2jj8 h GLU 41 CO 0.00 0.07 0.00 0.36 -1.18 0.00 0.00 179.01 178.26 2jj8 n LYS 42 N -4.45 0.03 -0.29 1.92 2.85 -1.26 -1.93 118.16 115.04 2jj8 n LYS 42 Ca -0.03 0.38 0.07 0.00 -1.05 0.00 0.00 58.31 57.68 2jj8 n LYS 42 Cb 0.15 -1.57 0.20 0.00 -0.65 0.00 0.00 35.03 33.16 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 -1.62 0.67 0.00 5.58 0.53 0.66 -4.71 117.16 118.27 2jj8 n TYR 43 Ca 0.02 -0.64 0.00 0.00 -1.02 0.00 0.00 57.90 56.26 2jj8 n TYR 43 Cb 0.11 -0.14 0.00 0.00 -1.03 0.00 0.00 39.34 38.28 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 0.17 0.00 0.20 -0.72 4.76 -0.81 -0.13 118.16 121.64 2jj8 n LYS 44 Ca 0.16 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.67 2jj8 n LYS 44 Cb 0.61 0.00 0.40 0.00 -1.84 0.00 0.00 35.03 34.20 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 -3.28 115.58 117.17 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 0.32 -1.40 0.47 -1.65 0.00 0.00 177.43 175.16 2jj8 n ASP 46 N -3.55 2.59 -4.29 5.81 9.92 0.82 -4.97 116.55 122.89 2jj8 n ASP 46 Ca -0.00 -0.04 -0.32 0.00 -0.53 0.00 0.00 54.79 53.90 2jj8 n ASP 46 Cb 0.46 1.43 -0.16 0.00 -0.64 0.00 0.00 41.12 42.21 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 -2.65 2.13 -0.38 0.53 1.01 -0.43 -3.85 121.20 117.56 2jj8 s ILE 47 Ca -0.03 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 2jj8 s ILE 47 Cb 0.06 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.78 2jj8 s ILE 47 CO 0.42 0.57 0.74 0.00 0.00 0.00 0.00 174.94 176.67 2jj8 s LEU 49 N 3.01 4.46 -0.36 0.00 1.43 -1.26 -0.48 118.68 125.48 2jj8 s LEU 49 Ca 0.29 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 51.83 2jj8 s LEU 49 Cb -0.13 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.38 2jj8 s LEU 49 CO 0.17 -0.37 0.12 -0.76 0.23 0.00 0.00 176.35 175.75 2jj8 s LEU 50 N 1.24 4.62 0.62 1.79 1.43 -0.32 -5.03 118.68 123.03 2jj8 s LEU 50 Ca 0.00 -1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 51.39 2jj8 s LEU 50 Cb -0.21 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2jj8 s LEU 50 CO -0.01 -0.41 1.11 0.42 0.23 0.00 0.00 176.35 177.69 2jj8 s THR 51 N 1.26 3.27 0.01 5.49 -4.23 -1.26 -1.28 115.64 118.91 2jj8 s THR 51 Ca 0.01 0.65 -0.39 0.00 -1.18 0.00 0.00 61.69 60.78 2jj8 s THR 51 Cb -0.21 -3.18 -0.19 0.00 1.34 0.00 0.00 72.50 70.26 2jj8 s THR 51 CO -0.01 -0.31 1.17 1.21 -0.54 0.00 0.00 174.62 176.14 2jj8 n GLU 52 N -2.04 0.37 -0.70 3.99 2.13 -1.22 -4.79 120.64 118.38 2jj8 n GLU 52 Ca 0.11 0.13 -0.06 0.00 0.66 0.00 0.00 57.16 58.00 2jj8 n GLU 52 Cb 0.52 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.46 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 1.90 1.39 -0.27 5.31 -0.02 -1.26 -4.49 135.00 137.56 2jj8 n PRO 53 Ca 0.20 -0.52 0.12 0.00 -2.02 0.00 0.00 63.50 61.27 2jj8 n PRO 53 Cb 0.11 -1.59 0.38 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.73 0.83 -0.46 -1.45 2.07 -1.99 -1.62 116.25 115.36 2jj8 h VAL 54 Ca 0.10 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2jj8 h VAL 54 Cb 1.14 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2jj8 h VAL 54 CO 0.16 0.12 0.25 -0.33 0.02 0.00 0.00 177.57 177.79 2jj8 h GLU 55 N 0.68 0.48 -0.47 1.57 4.39 -1.98 -0.19 114.58 119.06 2jj8 h GLU 55 Ca 0.45 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2jj8 h GLU 55 Cb 0.72 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2jj8 h GLU 55 CO -0.20 0.32 0.31 0.87 -1.16 0.00 0.00 179.01 179.14 2jj8 h LYS 56 N 0.49 0.63 0.00 2.33 1.57 -1.62 -2.13 116.57 117.84 2jj8 h LYS 56 Ca 0.19 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2jj8 h LYS 56 Cb 0.07 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2jj8 h LYS 56 CO -0.12 0.43 -0.11 -1.49 -0.57 0.00 0.00 179.45 177.59 2jj8 h TRP 57 N 0.64 0.00 -0.00 -1.35 6.55 -0.82 -1.53 115.95 119.44 2jj8 h TRP 57 Ca 0.17 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.01 2jj8 h TRP 57 Cb -0.06 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.24 2jj8 h TRP 57 CO -0.04 0.11 -0.06 0.54 -1.05 0.00 0.00 178.44 177.94 2jj8 n ARG 58 N -4.23 0.07 -3.03 0.49 1.74 -0.16 -1.90 116.66 109.64 2jj8 n ARG 58 Ca -0.03 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.91 2jj8 n ARG 58 Cb 0.19 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.94 -0.24 -0.54 0.55 2.47 -0.58 -3.82 114.94 109.84 2jj8 s ASN 59 Ca 0.16 -2.30 -0.18 0.00 0.42 0.00 0.00 52.86 50.95 2jj8 s ASN 59 Cb 0.19 0.91 0.09 0.00 -1.45 0.00 0.00 41.25 40.99 2jj8 s ASN 59 CO 0.54 -0.10 0.62 -0.69 -3.72 0.00 0.00 177.10 173.75 2jj8 s VAL 60 N 0.53 4.93 -1.05 -5.21 1.01 0.22 -4.39 120.40 116.45 2jj8 s VAL 60 Ca 0.31 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2jj8 s VAL 60 Cb 0.02 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2jj8 s VAL 60 CO -0.11 -0.93 0.04 0.59 0.00 0.00 0.00 175.10 174.69 2jj8 n ASN 61 N 6.02 0.43 0.00 3.32 3.02 -1.26 -0.12 115.26 126.68 2jj8 n ASN 61 Ca -0.09 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2jj8 n ASN 61 Cb 0.43 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 -1.92 3.21 3.75 7.41 0.00 -1.26 -5.05 105.19 111.33 2jj8 n GLY 62 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.94 4.81 -0.84 1.61 1.01 0.83 -4.92 120.40 119.96 2jj8 s VAL 63 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.32 2jj8 s VAL 63 Cb 0.00 -4.06 0.16 0.00 0.00 0.00 0.00 36.38 32.48 2jj8 s VAL 63 CO 0.00 0.36 0.93 0.21 0.00 0.00 0.00 175.10 176.61 2jj8 s ASN 64 N 0.01 6.62 0.31 3.32 3.84 -1.25 0.73 114.94 128.51 2jj8 s ASN 64 Ca 0.37 -2.21 0.02 0.00 0.21 0.00 0.00 52.86 51.25 2jj8 s ASN 64 Cb -0.20 -2.31 0.50 0.00 -0.55 0.00 0.00 41.25 38.69 2jj8 s ASN 64 CO 0.21 -0.88 1.83 -0.07 -2.79 0.00 0.00 177.10 175.40 2jj8 h LEU 65 N 9.34 0.59 0.46 3.21 3.38 -1.62 -2.75 115.31 127.94 2jj8 h LEU 65 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2jj8 h LEU 65 Cb 1.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2jj8 h LEU 65 CO 0.97 0.66 -0.26 0.25 0.09 0.00 0.00 178.44 180.15 2jj8 h LEU 66 N 0.60 -0.64 -0.22 1.67 5.85 -1.88 -1.92 115.31 118.76 2jj8 h LEU 66 Ca 0.12 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2jj8 h LEU 66 Cb 0.37 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2jj8 h LEU 66 CO 0.01 -0.42 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.45 2jj8 h GLU 67 N -0.68 -0.14 -0.68 1.25 4.57 -1.88 -1.93 114.58 115.09 2jj8 h GLU 67 Ca -0.06 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.25 2jj8 h GLU 67 Cb 0.54 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 2jj8 h GLU 67 CO 0.07 -0.10 0.46 -0.07 -1.18 0.00 0.00 179.01 178.19 2jj8 h LEU 68 N -0.15 0.41 -0.16 1.64 3.38 -1.45 -1.21 115.31 117.79 2jj8 h LEU 68 Ca 0.13 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2jj8 h LEU 68 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jj8 h LEU 68 CO -0.31 0.24 -0.23 -0.03 0.09 0.00 0.00 178.44 178.20 2jj8 h MET 69 N 0.45 0.43 -0.06 1.13 4.05 -0.56 -1.82 114.93 118.55 2jj8 h MET 69 Ca 0.32 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2jj8 h MET 69 Cb 0.64 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2jj8 h MET 69 CO -0.10 0.84 0.04 1.88 0.23 0.00 0.00 176.91 179.80 2jj8 h TYR 70 N 0.06 0.09 -0.46 1.39 -1.99 -1.08 -2.28 116.97 112.69 2jj8 h TYR 70 Ca 0.02 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.84 2jj8 h TYR 70 Cb 0.79 -0.03 -0.10 0.00 2.00 0.00 0.00 36.73 39.40 2jj8 h TYR 70 CO 0.09 0.11 -0.25 -0.22 -0.00 0.00 0.00 178.16 177.89 2jj8 h LYS 71 N 0.04 -0.14 -1.74 4.88 3.64 -1.18 -3.38 116.57 118.69 2jj8 h LYS 71 Ca 0.02 0.01 -0.43 0.00 -1.27 0.00 0.00 60.65 58.98 2jj8 h LYS 71 Cb 0.05 0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 31.60 2jj8 h LYS 71 CO -0.00 -0.10 -0.82 -3.47 -2.27 0.00 0.00 179.45 172.79 2jj8 n ASP 72 N -5.41 -1.46 -0.34 4.20 2.03 -0.69 -5.02 116.55 109.86 2jj8 n ASP 72 Ca 0.03 -2.64 -0.02 0.00 0.52 0.00 0.00 54.79 52.68 2jj8 n ASP 72 Cb 0.32 0.29 0.11 0.00 -0.72 0.00 0.00 41.12 41.12 2jj8 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jj8 h PRO 73 N 5.11 1.16 -0.62 -0.67 0.11 -1.60 -1.58 132.00 133.90 2jj8 h PRO 73 Ca 0.15 -0.07 0.14 0.00 0.11 0.00 0.00 66.00 66.33 2jj8 h PRO 73 Cb 0.97 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 2jj8 h PRO 73 CO 0.27 0.77 0.43 0.87 -0.21 0.00 0.00 178.00 180.13 2jj8 h LYS 74 N 1.19 0.23 0.04 1.05 1.79 -1.88 -0.29 116.57 118.70 2jj8 h LYS 74 Ca 0.35 -0.01 -0.32 0.00 -2.18 0.00 0.00 60.65 58.49 2jj8 h LYS 74 Cb -0.07 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 2jj8 h LYS 74 CO -0.10 0.15 -1.75 1.17 -1.08 0.00 0.00 179.45 177.84 2jj8 n LYS 75 N -4.44 0.64 0.00 3.15 4.81 -0.97 -4.66 118.16 116.70 2jj8 n LYS 75 Ca 0.11 0.41 0.10 0.00 -0.87 0.00 0.00 58.31 58.06 2jj8 n LYS 75 Cb 0.53 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.82 2jj8 n LYS 75 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 2jj8 n TRP 76 N -4.02 0.00 -0.29 5.64 7.02 -0.63 -4.45 117.44 120.71 2jj8 n TRP 76 Ca -0.36 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.08 2jj8 n TRP 76 Cb 0.85 -0.01 0.07 0.00 -2.42 0.00 0.00 31.31 29.79 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 3.20 0.99 0.80 6.99 0.00 -1.27 -1.34 119.26 128.63 2jj8 h ALA 77 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2jj8 h ALA 77 Cb 0.56 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jj8 h ALA 77 CO 0.00 0.44 -0.39 1.98 0.00 0.00 0.00 179.25 181.28 2jj8 h MET 78 N 1.07 -1.04 -0.63 0.00 1.85 -1.81 -0.01 114.93 114.36 2jj8 h MET 78 Ca 0.28 0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.43 2jj8 h MET 78 Cb -0.08 0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.16 2jj8 h MET 78 CO -0.06 -0.69 0.35 -1.00 -0.40 0.00 0.00 176.91 175.12 2jj8 h PRO 79 N -1.09 0.86 0.59 0.39 0.13 -1.81 -0.69 132.00 130.37 2jj8 h PRO 79 Ca -0.11 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2jj8 h PRO 79 Cb 0.83 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.79 2jj8 h PRO 79 CO 0.18 0.63 -0.28 0.35 -0.23 0.00 0.00 178.00 178.64 2jj8 h PHE 80 N 0.87 -0.73 -0.57 1.56 3.57 -1.06 0.09 116.94 120.67 2jj8 h PHE 80 Ca 0.22 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 2jj8 h PHE 80 Cb 0.01 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2jj8 h PHE 80 CO 0.00 -0.45 0.21 1.96 -2.23 0.00 0.00 178.31 177.80 2jj8 h GLN 81 N -0.81 0.83 -0.97 1.11 1.08 -0.95 0.16 115.11 115.56 2jj8 h GLN 81 Ca -0.08 -0.13 0.05 0.00 -1.45 0.00 0.00 58.65 57.04 2jj8 h GLN 81 Cb 0.61 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 2jj8 h GLN 81 CO 0.13 0.69 0.63 1.03 -0.95 0.00 0.00 178.83 180.36 2jj8 h SER 82 N 0.81 1.02 0.24 1.46 0.87 -0.96 -0.07 113.55 116.91 2jj8 h SER 82 Ca 0.19 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.52 2jj8 h SER 82 Cb 0.19 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2jj8 h SER 82 CO -0.01 0.67 -0.96 0.22 -0.53 0.00 0.00 176.83 176.22 2jj8 h TYR 83 N 1.17 0.73 -0.23 2.24 3.20 0.10 -2.65 116.97 121.54 2jj8 h TYR 83 Ca 0.40 -0.40 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2jj8 h TYR 83 Cb 0.09 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2jj8 h TYR 83 CO -0.01 1.22 0.12 0.28 -1.64 0.00 0.00 178.16 178.13 2jj8 h VAL 84 N 0.28 1.01 -0.64 1.81 2.07 -0.41 -0.25 116.25 120.12 2jj8 h VAL 84 Ca -0.09 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.44 2jj8 h VAL 84 Cb 1.60 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 2jj8 h VAL 84 CO 0.17 0.05 0.25 0.74 0.02 0.00 0.00 177.57 178.80 2jj8 h THR 85 N 0.25 0.77 0.12 2.57 2.02 -0.98 0.84 112.91 118.51 2jj8 h THR 85 Ca 0.09 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2jj8 h THR 85 Cb 0.01 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2jj8 h THR 85 CO -0.06 0.08 -0.06 0.25 0.37 0.00 0.00 175.52 176.10 2jj8 h LEU 86 N 0.44 -0.14 -1.52 2.58 5.85 -0.98 -1.76 115.31 119.77 2jj8 h LEU 86 Ca 0.32 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.06 2jj8 h LEU 86 Cb 0.40 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2jj8 h LEU 86 CO -0.31 -0.09 0.34 0.71 -0.34 0.00 0.00 178.44 178.74 2jj8 h THR 87 N -0.17 1.10 -0.47 1.05 1.35 -0.04 -0.15 112.91 115.58 2jj8 h THR 87 Ca -0.02 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 2jj8 h THR 87 Cb 0.13 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 2jj8 h THR 87 CO 0.03 0.12 0.15 0.24 -0.25 0.00 0.00 175.52 175.80 2jj8 h MET 88 N 0.65 0.73 -0.77 4.72 2.86 -0.49 -0.56 114.93 122.07 2jj8 h MET 88 Ca 0.19 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2jj8 h MET 88 Cb -0.02 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2jj8 h MET 88 CO -0.05 0.70 0.39 -0.07 1.06 0.00 0.00 176.91 178.94 2jj8 h LEU 89 N 0.63 0.98 0.04 1.22 3.38 -0.38 0.35 115.31 121.52 2jj8 h LEU 89 Ca 0.15 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2jj8 h LEU 89 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2jj8 h LEU 89 CO -0.00 0.81 -0.11 1.56 0.09 0.00 0.00 178.44 180.79 2jj8 h GLN 90 N 1.08 -0.20 0.28 1.13 4.20 -0.43 0.17 115.11 121.34 2jj8 h GLN 90 Ca 0.27 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 2jj8 h GLN 90 Cb 0.08 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2jj8 h GLN 90 CO -0.04 -0.13 -0.14 0.77 -0.67 0.00 0.00 178.83 178.63 2jj8 h SER 91 N -0.20 -0.32 -0.70 1.46 0.02 -0.76 -1.02 113.55 112.02 2jj8 h SER 91 Ca 0.02 -0.03 0.19 0.00 -0.84 0.00 0.00 61.79 61.13 2jj8 h SER 91 Cb 0.23 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2jj8 h SER 91 CO -0.07 -0.18 0.49 0.45 -1.14 0.00 0.00 176.83 176.38 2jj8 h HIS 92 N -0.43 0.13 -0.01 3.45 3.86 -0.08 -2.61 115.15 119.46 2jj8 h HIS 92 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2jj8 h HIS 92 Cb 0.33 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2jj8 h HIS 92 CO -0.04 0.05 -0.28 0.25 0.86 0.00 0.00 177.93 178.77 2jj8 n THR 93 N -4.38 0.00 -1.67 2.45 -2.24 0.56 -4.63 114.28 104.37 2jj8 n THR 93 Ca 0.14 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 2jj8 n THR 93 Cb 0.70 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 70.08 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 -0.14 0.97 -2.00 6.98 0.00 -0.40 -4.96 120.51 120.96 2jj8 n ALA 94 Ca 0.06 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 2jj8 n ALA 94 Cb 0.29 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.43 3.79 -0.13 0.00 0.04 -1.26 -4.98 135.00 131.02 2jj8 s PRO 95 Ca 0.59 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 2jj8 s PRO 95 Cb -0.62 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 31.76 2jj8 s PRO 95 CO 0.59 -0.25 0.64 -0.08 0.04 0.00 0.00 177.00 177.93 2jj8 s THR 96 N -2.66 0.01 -1.37 1.26 -1.32 -1.26 -5.04 115.64 105.25 2jj8 s THR 96 Ca 0.55 -0.04 0.25 0.00 -1.21 0.00 0.00 61.69 61.24 2jj8 s THR 96 Cb -0.10 -0.93 0.11 0.00 -1.51 0.00 0.00 72.50 70.07 2jj8 s THR 96 CO 0.37 -0.02 1.45 -0.46 -2.21 0.00 0.00 174.62 173.74 2jj8 n ASN 97 N 1.75 0.81 -4.75 8.08 2.04 -1.26 -4.85 115.26 117.09 2jj8 n ASN 97 Ca -0.17 -0.62 -0.35 0.00 -0.44 0.00 0.00 54.58 53.00 2jj8 n ASN 97 Cb 0.56 0.24 0.05 0.00 -2.53 0.00 0.00 39.78 38.10 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 -2.76 2.76 0.00 -3.83 -0.14 -1.26 -4.96 119.74 109.56 2jj8 s LYS 98 Ca 0.17 1.75 0.27 0.00 -1.36 0.00 0.00 55.97 56.81 2jj8 s LYS 98 Cb 0.18 -1.91 0.87 0.00 -1.68 0.00 0.00 37.83 35.29 2jj8 s LYS 98 CO 0.62 -1.35 1.64 1.63 -0.76 0.00 0.00 175.35 177.12 2jj8 n LYS 99 N -1.95 1.25 -3.78 1.68 4.76 -1.25 -4.65 118.16 114.21 2jj8 n LYS 99 Ca 0.13 -0.74 -0.13 0.00 -2.87 0.00 0.00 58.31 54.70 2jj8 n LYS 99 Cb 0.50 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.26 1.00 -0.03 -0.35 2.96 -1.26 -4.05 118.68 114.69 2jj8 s LEU 100 Ca 0.31 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2jj8 s LEU 100 Cb 0.20 0.94 0.03 0.00 0.50 0.00 0.00 46.19 47.86 2jj8 s LEU 100 CO 0.43 -0.15 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.56 2jj8 s LYS 101 N -0.11 0.43 -0.09 1.98 2.20 -0.46 -0.78 119.74 122.90 2jj8 s LYS 101 Ca -0.02 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 2jj8 s LYS 101 Cb -0.03 -0.58 0.01 0.00 -1.51 0.00 0.00 37.83 35.72 2jj8 s LYS 101 CO 0.01 -0.13 -0.16 0.42 -0.36 0.00 0.00 175.35 175.13 2jj8 s ILE 102 N 1.05 1.45 -0.09 5.43 1.01 0.36 -0.22 121.20 130.19 2jj8 s ILE 102 Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2jj8 s ILE 102 Cb -0.14 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2jj8 s ILE 102 CO -0.01 0.43 -0.16 -0.04 0.00 0.00 0.00 174.94 175.15 2jj8 s MET 103 N 0.76 2.92 -0.42 2.79 -1.94 -0.35 -1.18 119.30 121.89 2jj8 s MET 103 Ca -0.12 -0.74 -0.26 0.00 -1.71 0.00 0.00 55.69 52.86 2jj8 s MET 103 Cb -0.16 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.26 2jj8 s MET 103 CO 0.02 0.38 0.98 -2.00 -0.01 0.00 0.00 175.02 174.39 2jj8 s GLU 104 N -0.11 3.71 0.23 2.03 2.12 -0.40 -0.47 118.70 125.82 2jj8 s GLU 104 Ca -0.03 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.75 2jj8 s GLU 104 Cb -0.14 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2jj8 s GLU 104 CO 0.04 -1.14 0.00 0.54 -0.54 0.00 0.00 175.26 174.16 2jj8 n ARG 105 N 7.14 -1.98 -3.84 4.30 1.74 0.32 -3.44 116.66 120.91 2jj8 n ARG 105 Ca 0.08 1.32 -0.07 0.00 -0.77 0.00 0.00 57.85 58.41 2jj8 n ARG 105 Cb 0.48 -2.41 0.02 0.00 -1.02 0.00 0.00 32.46 29.54 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 -5.56 -0.00 0.40 0.55 1.04 -1.26 -4.75 113.70 104.12 2jj8 s SER 106 Ca 0.00 -0.96 0.09 0.00 0.48 0.00 0.00 55.95 55.56 2jj8 s SER 106 Cb 0.00 0.72 0.82 0.00 0.10 0.00 0.00 66.02 67.65 2jj8 s SER 106 CO 0.00 -1.42 1.96 -0.29 0.98 0.00 0.00 173.24 174.47 2jj8 h ILE 107 N 2.00 1.15 -0.20 -1.02 2.10 -1.92 -2.72 117.51 116.89 2jj8 h ILE 107 Ca -0.30 -0.59 -0.02 0.00 1.08 0.00 0.00 64.86 65.02 2jj8 h ILE 107 Cb 1.24 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.97 2jj8 h ILE 107 CO 0.38 0.20 0.05 -0.26 -1.08 0.00 0.00 178.15 177.44 2jj8 h PHE 108 N 0.31 0.35 -0.59 2.19 -1.00 -1.99 -1.21 116.94 115.00 2jj8 h PHE 108 Ca 0.07 -0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 2jj8 h PHE 108 Cb 0.25 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2jj8 h PHE 108 CO 0.01 0.45 0.09 0.66 -1.61 0.00 0.00 178.31 177.90 2jj8 h SER 109 N 0.14 0.91 -0.57 2.17 4.64 -1.92 0.97 113.55 119.89 2jj8 h SER 109 Ca 0.06 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2jj8 h SER 109 Cb 0.28 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 2jj8 h SER 109 CO 0.00 0.92 0.34 0.00 -0.87 0.00 0.00 176.83 177.22 2jj8 h ALA 110 N 1.19 0.73 0.36 5.18 0.00 -1.29 0.82 119.26 126.24 2jj8 h ALA 110 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jj8 h ALA 110 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jj8 h ALA 110 CO 0.01 0.22 -0.17 -0.09 0.00 0.00 0.00 179.25 179.22 2jj8 h ARG 111 N 0.77 -0.46 0.00 0.00 2.43 -0.92 0.14 114.38 116.34 2jj8 h ARG 111 Ca 0.21 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2jj8 h ARG 111 Cb -0.01 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2jj8 h ARG 111 CO -0.04 -0.28 -0.55 1.88 -1.51 0.00 0.00 179.97 179.47 2jj8 h TYR 112 N -1.11 0.00 0.00 2.20 0.99 -0.85 -2.84 116.97 115.35 2jj8 h TYR 112 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2jj8 h TYR 112 Cb 0.40 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.13 2jj8 h TYR 112 CO 0.01 0.55 -0.62 0.00 -0.00 0.00 0.00 178.16 178.10 2jj8 h PHE 114 N -0.62 0.73 0.00 0.00 -1.00 -1.34 -1.24 116.94 113.48 2jj8 h PHE 114 Ca 0.00 -0.30 -0.00 0.00 2.81 0.00 0.00 57.97 60.48 2jj8 h PHE 114 Cb 0.62 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2jj8 h PHE 114 CO -0.27 1.06 -0.00 0.28 -1.61 0.00 0.00 178.31 177.77 2jj8 h VAL 115 N 0.19 1.34 -0.79 -0.55 2.07 -1.03 -2.02 116.25 115.46 2jj8 h VAL 115 Ca -0.02 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.55 2jj8 h VAL 115 Cb 1.08 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 2jj8 h VAL 115 CO 0.10 0.26 0.52 -0.08 0.02 0.00 0.00 177.57 178.39 2jj8 h GLU 116 N -0.44 0.80 -0.46 1.57 4.57 -1.56 -0.43 114.58 118.64 2jj8 h GLU 116 Ca -0.00 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2jj8 h GLU 116 Cb 0.44 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2jj8 h GLU 116 CO 0.00 0.53 -0.21 -0.97 -1.18 0.00 0.00 179.01 177.18 2jj8 h ASN 117 N 0.83 0.97 0.45 1.04 -0.00 -1.11 -2.50 115.58 115.26 2jj8 h ASN 117 Ca 0.35 -0.40 -0.04 0.00 -0.00 0.00 0.00 56.30 56.21 2jj8 h ASN 117 Cb 0.29 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.33 2jj8 h ASN 117 CO -0.13 1.15 -0.19 0.24 -0.00 0.00 0.00 177.43 178.51 2jj8 h MET 118 N 0.79 0.00 0.22 6.67 2.86 -0.36 -1.72 114.93 123.39 2jj8 h MET 118 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2jj8 h MET 118 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2jj8 h MET 118 CO 0.06 0.19 -0.11 -0.09 1.06 0.00 0.00 176.91 178.03 2jj8 h ARG 119 N 0.00 -0.29 -0.46 1.72 2.43 -1.06 0.52 114.38 117.25 2jj8 h ARG 119 Ca -0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2jj8 h ARG 119 Cb 0.46 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.00 2jj8 h ARG 119 CO 0.02 0.03 -0.05 0.00 -1.51 0.00 0.00 179.97 178.46 2jj8 h ARG 120 N -0.62 0.05 -0.45 0.20 3.08 -0.93 -0.17 114.38 115.54 2jj8 h ARG 120 Ca -0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2jj8 h ARG 120 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2jj8 h ARG 120 CO 0.05 0.04 0.00 0.27 -1.07 0.00 0.00 179.97 179.26 2jj8 n ASN 121 N -5.28 1.99 -1.46 7.04 6.94 -0.72 -4.92 115.26 118.86 2jj8 n ASN 121 Ca 0.04 -2.11 -0.18 0.00 -0.02 0.00 0.00 54.58 52.32 2jj8 n ASN 121 Cb 0.25 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.30 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 0.77 1.39 0.27 4.83 0.00 -0.08 -4.88 105.19 107.49 2jj8 n GLY 122 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.78 -3.56 1.61 0.02 -1.18 -3.39 113.55 107.84 2jj8 h SER 123 Ca -0.37 -0.27 -0.71 0.00 -0.84 0.00 0.00 61.79 59.60 2jj8 h SER 123 Cb 1.18 -0.21 -0.23 0.00 0.14 0.00 0.00 62.40 63.27 2jj8 h SER 123 CO 0.52 0.96 -0.49 -0.76 -1.14 0.00 0.00 176.83 175.93 2jj8 s LEU 124 N -8.94 4.85 0.83 5.07 1.43 -0.59 -4.22 118.68 117.10 2jj8 s LEU 124 Ca -0.09 -0.96 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 2jj8 s LEU 124 Cb 0.13 -2.07 0.10 0.00 0.03 0.00 0.00 46.19 44.38 2jj8 s LEU 124 CO 0.83 -0.40 1.11 -1.61 0.23 0.00 0.00 176.35 176.51 2jj8 s GLU 125 N 1.60 1.72 0.25 1.70 2.02 -1.26 -4.48 118.70 120.24 2jj8 s GLU 125 Ca 0.03 1.32 -0.09 0.00 0.02 0.00 0.00 54.97 56.25 2jj8 s GLU 125 Cb -0.19 -1.82 0.40 0.00 0.10 0.00 0.00 34.13 32.62 2jj8 s GLU 125 CO 0.08 -2.07 1.61 0.37 0.02 0.00 0.00 175.26 175.27 2jj8 h GLN 126 N -1.45 0.03 -0.81 1.61 5.75 -1.97 -0.69 115.11 117.59 2jj8 h GLN 126 Ca -0.43 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.05 2jj8 h GLN 126 Cb 1.25 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 2jj8 h GLN 126 CO 0.47 0.02 0.45 0.78 -2.65 0.00 0.00 178.83 177.90 2jj8 h GLY 127 N 0.03 1.19 0.49 2.39 0.00 -1.99 -1.40 103.07 103.78 2jj8 h GLY 127 Ca 0.41 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2jj8 h GLY 127 CO -0.78 0.51 -0.04 -0.33 0.00 0.00 0.00 176.54 175.90 2jj8 h MET 128 N 1.12 0.06 -0.41 4.80 2.86 -1.51 -2.31 114.93 119.55 2jj8 h MET 128 Ca 0.29 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.97 2jj8 h MET 128 Cb 0.02 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.59 2jj8 h MET 128 CO -0.05 0.60 -0.20 -0.92 1.06 0.00 0.00 176.91 177.41 2jj8 h TYR 129 N -0.47 -0.50 -0.70 -0.22 3.20 -1.19 -2.40 116.97 114.69 2jj8 h TYR 129 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2jj8 h TYR 129 Cb 0.60 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 2jj8 h TYR 129 CO 0.12 -0.28 0.40 -0.91 -1.64 0.00 0.00 178.16 175.84 2jj8 h ASN 130 N -0.12 0.85 -0.03 -2.11 2.35 -1.24 -0.68 115.58 114.59 2jj8 h ASN 130 Ca 0.20 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2jj8 h ASN 130 Cb 0.43 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2jj8 h ASN 130 CO -0.49 0.67 0.02 0.74 -1.65 0.00 0.00 177.43 176.73 2jj8 h THR 131 N 0.97 1.03 -0.81 2.81 2.02 -0.98 -0.22 112.91 117.73 2jj8 h THR 131 Ca 0.25 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.38 2jj8 h THR 131 Cb -0.00 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 2jj8 h THR 131 CO -0.04 0.02 0.52 -0.07 0.37 0.00 0.00 175.52 176.32 2jj8 h LEU 132 N 0.02 0.88 -0.58 2.58 3.38 -0.91 -1.47 115.31 119.21 2jj8 h LEU 132 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2jj8 h LEU 132 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2jj8 h LEU 132 CO -0.00 0.62 0.16 -0.33 0.09 0.00 0.00 178.44 178.97 2jj8 h GLU 133 N 1.04 0.92 -0.47 1.13 4.39 -0.89 0.26 114.58 120.96 2jj8 h GLU 133 Ca 0.31 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.82 2jj8 h GLU 133 Cb -0.04 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 2jj8 h GLU 133 CO -0.09 0.84 0.27 0.93 -1.16 0.00 0.00 179.01 179.80 2jj8 h GLU 134 N 0.83 0.53 -0.46 2.33 4.39 -0.73 -0.47 114.58 121.00 2jj8 h GLU 134 Ca 0.18 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.89 2jj8 h GLU 134 Cb 0.33 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2jj8 h GLU 134 CO -0.00 0.35 0.23 -1.49 -1.16 0.00 0.00 179.01 176.93 2jj8 h TRP 135 N 0.54 0.42 -0.88 4.33 4.06 -0.63 -0.56 115.95 123.23 2jj8 h TRP 135 Ca 0.19 0.02 0.11 0.00 2.06 0.00 0.00 58.89 61.26 2jj8 h TRP 135 Cb 0.03 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 27.99 2jj8 h TRP 135 CO -0.07 0.21 0.51 1.88 -3.56 0.00 0.00 178.44 177.41 2jj8 h TYR 136 N 0.45 0.93 -0.42 0.49 0.99 0.08 0.28 116.97 119.76 2jj8 h TYR 136 Ca 0.20 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.83 2jj8 h TYR 136 Cb 0.11 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 2jj8 h TYR 136 CO -0.10 0.36 -0.23 0.87 -0.00 0.00 0.00 178.16 179.06 2jj8 h LYS 137 N 0.83 0.90 -0.10 4.88 1.57 -0.55 -2.11 116.57 121.99 2jj8 h LYS 137 Ca 0.43 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2jj8 h LYS 137 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2jj8 h LYS 137 CO -0.26 1.06 -0.44 0.35 -0.57 0.00 0.00 179.45 179.58 2jj8 h PHE 138 N 0.73 0.28 -0.64 -1.35 3.57 -0.58 -3.00 116.94 115.95 2jj8 h PHE 138 Ca 0.09 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2jj8 h PHE 138 Cb 0.80 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2jj8 h PHE 138 CO 0.06 0.64 0.28 0.82 -2.23 0.00 0.00 178.31 177.88 2jj8 h ILE 139 N 0.20 1.23 0.00 1.41 2.04 -0.18 -2.30 117.51 119.91 2jj8 h ILE 139 Ca 0.01 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2jj8 h ILE 139 Cb 0.87 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2jj8 h ILE 139 CO 0.07 0.28 -0.13 1.05 0.00 0.00 0.00 178.15 179.41 2jj8 h GLU 140 N 0.89 0.00 0.01 2.37 4.11 -1.26 0.15 114.58 120.85 2jj8 h GLU 140 Ca 0.22 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.45 2jj8 h GLU 140 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2jj8 h GLU 140 CO -0.02 0.13 -0.91 0.93 0.07 0.00 0.00 179.01 179.21 2jj8 h GLU 141 N 0.00 0.03 0.00 1.06 5.08 -1.37 -3.40 114.58 115.97 2jj8 h GLU 141 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2jj8 h GLU 141 Cb 0.50 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jj8 h GLU 141 CO 0.02 0.91 -1.57 -1.13 -1.00 0.00 0.00 179.01 176.25 2jj8 n SER 142 N -3.49 2.87 -4.17 1.42 3.41 -0.89 -4.86 113.62 107.91 2jj8 n SER 142 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.29 2jj8 n SER 142 Cb 0.85 0.82 -0.17 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.27 1.92 -0.26 -1.33 1.01 0.50 -1.15 121.20 119.62 2jj8 s ILE 143 Ca -0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 2jj8 s ILE 143 Cb 0.03 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 2jj8 s ILE 143 CO 0.36 0.53 1.26 -2.28 0.00 0.00 0.00 174.94 174.80 2jj8 s HIS 144 N 0.61 2.80 -0.47 3.97 5.65 0.01 -4.59 115.29 123.27 2jj8 s HIS 144 Ca -0.13 0.97 -0.10 0.00 0.25 0.00 0.00 55.06 56.05 2jj8 s HIS 144 Cb -0.17 -3.73 0.11 0.00 -1.18 0.00 0.00 32.58 27.62 2jj8 s HIS 144 CO 0.04 -1.57 0.36 0.08 -0.65 0.00 0.00 174.74 172.99 2jj8 s VAL 145 N 3.99 4.37 0.03 0.89 1.01 -1.26 -4.80 120.40 124.62 2jj8 s VAL 145 Ca 0.54 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 2jj8 s VAL 145 Cb -0.18 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2jj8 s VAL 145 CO 0.19 -0.75 1.55 -1.58 0.00 0.00 0.00 175.10 174.51 2jj8 s GLN 146 N 1.41 4.23 -0.29 2.72 2.00 -1.26 -4.97 119.66 123.49 2jj8 s GLN 146 Ca 0.05 2.17 0.03 0.00 -2.00 0.00 0.00 55.36 55.61 2jj8 s GLN 146 Cb -0.26 -3.62 0.18 0.00 0.80 0.00 0.00 33.01 30.10 2jj8 s GLN 146 CO 0.00 -0.68 0.48 0.00 -0.50 0.00 0.00 175.29 174.59 2jj8 s ALA 147 N 2.67 -1.68 -0.13 1.58 0.00 -1.26 -4.84 121.76 118.10 2jj8 s ALA 147 Ca 0.70 0.57 0.20 0.00 0.00 0.00 0.00 51.96 53.42 2jj8 s ALA 147 Cb -0.36 -2.25 -0.28 0.00 0.00 0.00 0.00 23.12 20.23 2jj8 s ALA 147 CO 0.30 -1.77 0.25 -0.25 0.00 0.00 0.00 175.76 174.28 2jj8 n ASP 148 N 5.38 0.02 -3.66 0.00 8.00 -0.50 -4.84 116.55 120.95 2jj8 n ASP 148 Ca 0.02 0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.46 2jj8 n ASP 148 Cb 0.51 1.37 -0.08 0.00 -0.02 0.00 0.00 41.12 42.90 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 -5.12 -0.70 -0.08 0.64 2.96 -1.05 -3.90 118.68 111.42 2jj8 s LEU 149 Ca -0.09 1.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.97 2jj8 s LEU 149 Cb 0.09 1.98 -0.05 0.00 0.50 0.00 0.00 46.19 48.71 2jj8 s LEU 149 CO 0.86 -0.22 0.37 -0.63 -1.32 0.00 0.00 176.35 175.41 2jj8 s ILE 150 N 1.84 5.18 -0.36 6.68 1.01 -0.44 -0.54 121.20 134.57 2jj8 s ILE 150 Ca -0.09 0.74 -0.09 0.00 0.00 0.00 0.00 60.65 61.22 2jj8 s ILE 150 Cb -0.08 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.74 2jj8 s ILE 150 CO -0.17 0.47 0.17 -0.63 0.00 0.00 0.00 174.94 174.77 2jj8 s ILE 151 N -0.21 4.20 -0.53 2.92 1.01 0.13 -1.26 121.20 127.46 2jj8 s ILE 151 Ca 0.22 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 2jj8 s ILE 151 Cb -0.15 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 38.99 2jj8 s ILE 151 CO 0.09 -0.24 0.77 -0.47 0.00 0.00 0.00 174.94 175.10 2jj8 s TYR 152 N 1.48 2.93 -1.27 3.97 5.04 -0.35 -0.98 117.35 128.17 2jj8 s TYR 152 Ca 0.00 -0.33 -0.19 0.00 -2.44 0.00 0.00 57.07 54.11 2jj8 s TYR 152 Cb -0.20 -3.80 0.06 0.00 0.35 0.00 0.00 41.96 38.37 2jj8 s TYR 152 CO 0.05 -1.20 1.73 -0.51 -1.34 0.00 0.00 175.55 174.28 2jj8 s LEU 153 N 3.23 3.76 0.08 6.97 1.43 -0.52 -0.54 118.68 133.09 2jj8 s LEU 153 Ca 0.22 -2.31 -0.31 0.00 -1.03 0.00 0.00 54.13 50.70 2jj8 s LEU 153 Cb -0.16 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 2jj8 s LEU 153 CO 0.15 -1.33 1.24 -0.60 0.23 0.00 0.00 176.35 176.03 2jj8 s ARG 154 N 4.45 4.41 0.25 1.70 3.52 -0.29 -4.43 118.95 128.57 2jj8 s ARG 154 Ca 0.54 1.84 0.04 0.00 -0.13 0.00 0.00 55.73 58.03 2jj8 s ARG 154 Cb 0.03 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 2jj8 s ARG 154 CO 0.07 -0.28 0.15 0.25 -0.81 0.00 0.00 175.30 174.68 2jj8 n THR 155 N 3.79 0.00 -4.78 4.11 -2.24 -1.26 -1.03 114.28 112.87 2jj8 n THR 155 Ca 0.09 -1.64 -0.33 0.00 -2.27 0.00 0.00 64.05 59.90 2jj8 n THR 155 Cb 0.45 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.63 4.14 0.34 3.42 1.04 -1.26 -5.02 113.70 113.73 2jj8 s SER 156 Ca 0.22 -0.23 0.14 0.00 0.48 0.00 0.00 55.95 56.56 2jj8 s SER 156 Cb 0.01 -1.27 1.09 0.00 0.10 0.00 0.00 66.02 65.96 2jj8 s SER 156 CO 0.15 0.26 1.64 -0.65 0.98 0.00 0.00 173.24 175.62 2jj8 h PRO 157 N 5.99 0.22 -0.32 4.02 0.11 -1.97 0.20 132.00 140.26 2jj8 h PRO 157 Ca -0.37 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 2jj8 h PRO 157 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2jj8 h PRO 157 CO 0.54 0.15 0.02 0.93 -0.21 0.00 0.00 178.00 179.42 2jj8 h GLU 158 N 0.23 0.55 -0.68 1.05 3.07 -1.95 0.47 114.58 117.32 2jj8 h GLU 158 Ca 0.73 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 59.35 2jj8 h GLU 158 Cb 1.72 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.55 2jj8 h GLU 158 CO -0.66 0.67 0.14 0.28 -1.40 0.00 0.00 179.01 178.04 2jj8 h VAL 159 N 0.36 1.26 -0.43 3.13 2.07 -1.08 0.21 116.25 121.77 2jj8 h VAL 159 Ca 0.09 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2jj8 h VAL 159 Cb 0.41 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2jj8 h VAL 159 CO 0.01 0.38 0.21 0.00 0.02 0.00 0.00 177.57 178.18 2jj8 h ALA 160 N 1.11 0.56 -0.24 1.67 0.00 -0.95 -1.08 119.26 120.33 2jj8 h ALA 160 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jj8 h ALA 160 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jj8 h ALA 160 CO 0.01 0.12 0.15 0.10 0.00 0.00 0.00 179.25 179.63 2jj8 h TYR 161 N 0.56 0.31 0.12 0.00 -0.00 0.56 -1.71 116.97 116.81 2jj8 h TYR 161 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.90 2jj8 h TYR 161 Cb 0.12 -0.10 -0.05 0.00 -0.00 0.00 0.00 36.73 36.71 2jj8 h TYR 161 CO -0.01 0.21 -0.43 1.05 -0.00 0.00 0.00 178.16 178.98 2jj8 h GLU 162 N 0.31 -0.65 -0.00 0.10 9.09 -0.45 -1.56 114.58 121.42 2jj8 h GLU 162 Ca 0.09 0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2jj8 h GLU 162 Cb -0.01 0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2jj8 h GLU 162 CO -0.02 -0.43 0.09 0.00 0.05 0.00 0.00 179.01 178.70 2jj8 h ARG 163 N -0.67 0.00 0.00 1.06 -0.00 -0.92 -3.51 114.38 110.34 2jj8 h ARG 163 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2jj8 h ARG 163 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.66 2jj8 h ARG 163 CO -0.25 0.00 0.00 -0.89 0.00 0.00 0.00 179.97 178.83 2jj8 n ILE 164 N -3.07 0.00 -1.31 2.04 5.41 -0.59 -5.06 119.36 116.79 2jj8 n ILE 164 Ca -0.03 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.41 2jj8 n ILE 164 Cb 0.15 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.17 2jj8 n ILE 164 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2jj8 s PRO 176 N 2.42 2.27 0.12 0.38 0.02 -1.26 -4.94 135.00 134.00 2jj8 s PRO 176 Ca 0.00 1.09 -0.10 0.00 0.02 0.00 0.00 61.00 62.01 2jj8 s PRO 176 Cb 0.00 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 2jj8 s PRO 176 CO 0.00 -1.61 1.34 1.25 -0.33 0.00 0.00 177.00 177.65 2jj8 h LEU 177 N -1.10 0.87 -1.00 -5.54 5.85 -2.00 -3.18 115.31 109.21 2jj8 h LEU 177 Ca -0.44 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 57.80 2jj8 h LEU 177 Cb 1.23 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 2jj8 h LEU 177 CO 0.53 1.35 0.64 0.50 -0.34 0.00 0.00 178.44 181.11 2jj8 h LYS 178 N 0.51 1.10 0.16 1.25 3.64 -1.99 -1.20 116.57 120.04 2jj8 h LYS 178 Ca -0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2jj8 h LYS 178 Cb 1.36 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2jj8 h LYS 178 CO 0.15 0.73 -0.08 -0.92 -2.27 0.00 0.00 179.45 177.06 2jj8 h TYR 179 N 1.13 -0.20 -0.65 1.91 3.20 -2.00 -1.12 116.97 119.25 2jj8 h TYR 179 Ca 0.44 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.41 2jj8 h TYR 179 Cb 0.23 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2jj8 h TYR 179 CO -0.00 -0.11 0.43 -0.07 -1.64 0.00 0.00 178.16 176.77 2jj8 h LEU 180 N -0.23 0.40 -0.01 2.82 3.38 -1.37 0.70 115.31 121.01 2jj8 h LEU 180 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jj8 h LEU 180 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jj8 h LEU 180 CO 0.04 0.24 -0.01 1.56 0.09 0.00 0.00 178.44 180.35 2jj8 h GLN 181 N 0.44 0.02 -0.29 1.13 4.20 -0.78 0.60 115.11 120.43 2jj8 h GLN 181 Ca 0.30 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.07 2jj8 h GLN 181 Cb 0.59 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.29 2jj8 h GLN 181 CO -0.09 0.53 -0.29 0.93 -0.67 0.00 0.00 178.83 179.24 2jj8 h GLU 182 N -0.49 -0.27 -0.79 1.46 5.08 -0.81 0.13 114.58 118.90 2jj8 h GLU 182 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jj8 h GLU 182 Cb 0.53 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2jj8 h GLU 182 CO 0.00 -0.18 0.51 -0.07 -1.00 0.00 0.00 179.01 178.27 2jj8 h LEU 183 N -0.28 0.92 -0.17 1.33 3.38 -0.84 -2.02 115.31 117.64 2jj8 h LEU 183 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jj8 h LEU 183 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2jj8 h LEU 183 CO -0.45 0.68 0.10 -0.74 0.09 0.00 0.00 178.44 178.12 2jj8 h HIS 184 N 1.08 0.22 -0.78 1.13 2.76 0.12 -1.09 115.15 118.59 2jj8 h HIS 184 Ca 0.29 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2jj8 h HIS 184 Cb -0.09 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.76 2jj8 h HIS 184 CO 0.00 0.19 0.41 0.93 -1.30 0.00 0.00 177.93 178.16 2jj8 h GLU 185 N 0.19 1.09 -0.46 5.26 4.39 -0.55 0.63 114.58 125.14 2jj8 h GLU 185 Ca 0.06 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2jj8 h GLU 185 Cb 0.03 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2jj8 h GLU 185 CO -0.01 0.82 0.01 -0.07 -1.16 0.00 0.00 179.01 178.60 2jj8 h LEU 186 N 1.10 0.79 -0.49 1.33 3.38 -1.06 0.28 115.31 120.64 2jj8 h LEU 186 Ca 0.27 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jj8 h LEU 186 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2jj8 h LEU 186 CO -0.04 0.89 0.23 0.45 0.09 0.00 0.00 178.44 180.06 2jj8 h HIS 187 N 0.66 0.70 -0.11 1.13 3.86 -0.80 -1.41 115.15 119.18 2jj8 h HIS 187 Ca 0.13 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2jj8 h HIS 187 Cb 0.48 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 2jj8 h HIS 187 CO 0.04 0.56 -0.13 0.93 0.86 0.00 0.00 177.93 180.19 2jj8 h GLU 188 N 0.64 -0.16 -0.53 2.45 4.39 -0.55 0.14 114.58 120.96 2jj8 h GLU 188 Ca 0.17 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.95 2jj8 h GLU 188 Cb 0.12 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2jj8 h GLU 188 CO -0.02 -0.11 0.19 -0.44 -1.16 0.00 0.00 179.01 177.48 2jj8 h ASP 189 N -0.16 0.19 -0.18 1.42 3.32 -0.33 -0.40 116.42 120.29 2jj8 h ASP 189 Ca 0.08 0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.99 2jj8 h ASP 189 Cb 0.28 0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2jj8 h ASP 189 CO -0.21 0.13 -0.71 -0.25 -1.72 0.00 0.00 179.24 176.49 2jj8 h TRP 190 N 0.37 1.06 0.00 4.55 7.01 -0.93 -3.32 115.95 124.69 2jj8 h TRP 190 Ca 0.26 -0.45 -0.32 0.00 2.11 0.00 0.00 58.89 60.49 2jj8 h TRP 190 Cb 0.28 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 2jj8 h TRP 190 CO -0.16 1.28 -2.26 1.28 -2.79 0.00 0.00 178.44 175.79 2jj8 n LEU 191 N -3.98 0.00 -0.10 0.65 4.77 0.45 -4.78 117.00 114.02 2jj8 n LEU 191 Ca -0.07 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 2jj8 n LEU 191 Cb 0.71 0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 42.17 2jj8 n LEU 191 CO 0.52 0.44 -1.11 -0.38 -1.33 0.00 0.00 177.39 175.52 2jj8 n ILE 192 N -2.66 1.29 0.43 -0.08 2.08 -0.20 -4.97 119.36 115.24 2jj8 n ILE 192 Ca -0.29 -0.20 -0.05 0.00 0.56 0.00 0.00 62.75 62.77 2jj8 n ILE 192 Cb 1.08 -1.90 0.06 0.00 -0.75 0.00 0.00 39.64 38.13 2jj8 n ILE 192 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2jj8 n HIS 193 N -4.07 0.76 -1.14 1.39 8.25 -0.96 -5.05 115.22 114.40 2jj8 n HIS 193 Ca -0.37 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.37 2jj8 n HIS 193 Cb 0.73 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2jj8 n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jj8 s LYS 201 N -0.88 4.36 0.02 0.00 -0.14 -1.25 -4.84 119.74 117.00 2jj8 s LYS 201 Ca 0.00 2.03 0.02 0.00 -1.36 0.00 0.00 55.97 56.66 2jj8 s LYS 201 Cb 0.00 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2jj8 s LYS 201 CO 0.00 -0.34 0.01 0.08 -0.76 0.00 0.00 175.35 174.34 2jj8 s VAL 202 N 0.68 4.16 -0.30 3.17 1.01 -1.26 -1.32 120.40 126.55 2jj8 s VAL 202 Ca 0.60 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2jj8 s VAL 202 Cb -0.36 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.23 2jj8 s VAL 202 CO 0.33 0.32 0.09 -0.22 0.00 0.00 0.00 175.10 175.63 2jj8 s LEU 203 N -1.72 2.04 -0.01 3.92 2.96 -0.38 -4.96 118.68 120.53 2jj8 s LEU 203 Ca 0.21 -1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 52.30 2jj8 s LEU 203 Cb -0.12 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2jj8 s LEU 203 CO 0.12 -0.40 0.94 -0.69 -1.32 0.00 0.00 176.35 175.00 2jj8 s VAL 204 N 1.67 4.89 -0.03 1.68 1.01 -1.26 -1.21 120.40 127.14 2jj8 s VAL 204 Ca 0.08 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.11 2jj8 s VAL 204 Cb -0.17 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2jj8 s VAL 204 CO -0.24 0.17 -0.25 -0.76 0.00 0.00 0.00 175.10 174.02 2jj8 s LEU 205 N 1.00 2.05 -0.51 3.92 1.43 0.29 -4.95 118.68 121.92 2jj8 s LEU 205 Ca 0.50 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 2jj8 s LEU 205 Cb -0.21 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.71 2jj8 s LEU 205 CO 0.26 0.29 1.22 -0.62 0.23 0.00 0.00 176.35 177.73 2jj8 s ASP 206 N -0.46 6.49 -0.56 2.29 3.68 -1.26 -1.13 116.67 125.71 2jj8 s ASP 206 Ca 0.06 0.38 0.01 0.00 2.13 0.00 0.00 52.55 55.13 2jj8 s ASP 206 Cb -0.11 -2.55 0.54 0.00 -1.45 0.00 0.00 42.92 39.35 2jj8 s ASP 206 CO 0.00 -1.39 1.95 0.00 0.13 0.00 0.00 175.17 175.86 2jj8 n ALA 207 N 8.32 5.96 0.87 3.66 0.00 -0.20 -4.97 120.51 134.15 2jj8 n ALA 207 Ca 0.12 -3.26 0.10 0.00 0.00 0.00 0.00 53.44 50.40 2jj8 n ALA 207 Cb 0.49 -1.58 0.09 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