#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba s GLN 3 N 0.00 0.73 1.22 1.61 2.00 -1.26 -5.16 119.66 118.80 1jba s GLN 3 Ca 0.00 0.57 -0.16 0.00 -2.00 0.00 0.00 55.36 53.77 1jba s GLN 3 Cb 0.00 0.35 0.30 0.00 0.80 0.00 0.00 33.01 34.46 1jba s GLN 3 CO 0.00 -0.14 1.02 -0.65 -0.50 0.00 0.00 175.29 175.02 1jba s GLN 4 N -0.16 -1.38 0.29 1.67 1.11 -1.26 -4.91 119.66 115.01 1jba s GLN 4 Ca -0.04 0.45 0.13 0.00 0.01 0.00 0.00 55.36 55.92 1jba s GLN 4 Cb -0.03 -1.53 0.36 0.00 -1.01 0.00 0.00 33.01 30.79 1jba s GLN 4 CO 0.03 -3.93 1.59 0.74 0.01 0.00 0.00 175.29 173.73 1jba h PHE 5 N -2.75 0.00 -2.28 0.91 -1.00 -1.99 -3.44 116.94 106.39 1jba h PHE 5 Ca -0.54 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.68 1jba h PHE 5 Cb 1.33 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.92 1jba h PHE 5 CO -1.01 0.57 1.16 0.43 -1.61 0.00 0.00 178.31 177.85 1jba n SER 6 N -3.58 3.91 0.00 2.17 7.64 -1.26 -4.89 113.62 117.61 1jba n SER 6 Ca -0.00 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1jba n SER 6 Cb 0.64 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1jba n SER 6 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1jba n TRP 7 N 6.84 0.00 0.00 1.43 2.14 -1.26 -4.50 117.44 122.09 1jba n TRP 7 Ca 0.20 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.77 1jba n TRP 7 Cb 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.87 1jba n TRP 7 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1jba n GLU 8 N -1.17 0.00 0.00 -2.67 4.07 -1.26 0.12 120.64 119.73 1jba n GLU 8 Ca 0.00 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1jba n GLU 8 Cb 0.00 -0.77 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 1jba n GLU 8 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1jba n GLU 9 N -2.43 0.00 0.30 5.31 0.00 -1.26 0.13 120.64 122.69 1jba n GLU 9 Ca 0.00 0.79 0.07 0.00 0.00 0.00 0.00 57.16 58.02 1jba n GLU 9 Cb 0.00 -1.39 0.33 0.00 0.00 0.00 0.00 31.44 30.39 1jba n GLU 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jba h ALA 10 N -1.37 1.81 0.00 4.31 0.00 -1.53 0.33 119.26 122.81 1jba h ALA 10 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1jba h ALA 10 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jba h ALA 10 CO 0.00 -0.78 -0.53 1.49 0.00 0.00 0.00 179.25 179.43 1jba h GLU 11 N 0.00 0.00 0.00 0.00 4.57 0.52 -3.26 114.58 116.40 1jba h GLU 11 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1jba h GLU 11 Cb 1.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1jba h GLU 11 CO -0.00 0.94 0.00 -1.91 -1.18 0.00 0.00 179.01 176.86 1jba n GLU 12 N -4.54 0.09 -4.29 1.92 2.13 0.19 -4.59 120.64 111.55 1jba n GLU 12 Ca -0.19 0.12 -0.15 0.00 0.66 0.00 0.00 57.16 57.60 1jba n GLU 12 Cb 0.54 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.65 1jba n GLU 12 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1jba s ASN 13 N -2.28 1.45 0.00 4.31 0.02 -0.72 -5.08 114.94 112.64 1jba s ASN 13 Ca 0.05 -1.22 0.00 0.00 -1.02 0.00 0.00 52.86 50.67 1jba s ASN 13 Cb 0.03 0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.38 1jba s ASN 13 CO 0.05 -0.57 0.00 0.61 0.02 0.00 0.00 177.10 177.21 1jba n GLY 14 N -0.34 -0.26 3.98 0.66 0.00 -1.26 -4.79 105.19 103.17 1jba n GLY 14 Ca -0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ALA 15 N -3.46 3.31 -0.26 4.61 0.00 -1.26 -4.80 121.76 119.90 1jba s ALA 15 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 1jba s ALA 15 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1jba s ALA 15 CO 0.00 -1.72 1.84 0.08 0.00 0.00 0.00 175.76 175.96 1jba s VAL 16 N -3.34 3.42 -0.30 0.00 1.01 -1.26 -4.78 120.40 115.14 1jba s VAL 16 Ca 0.68 0.44 0.18 0.00 0.00 0.00 0.00 61.98 63.28 1jba s VAL 16 Cb -0.05 -3.51 0.46 0.00 0.00 0.00 0.00 36.38 33.28 1jba s VAL 16 CO 0.47 -0.29 1.32 0.61 0.00 0.00 0.00 175.10 177.21 1jba n GLY 17 N 5.26 1.90 0.37 4.51 0.00 -1.26 -4.89 105.19 111.08 1jba n GLY 17 Ca 0.23 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N -1.06 1.08 -1.22 4.61 0.00 -1.26 -4.96 120.51 117.70 1jba n ALA 18 Ca -0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1jba n ALA 18 Cb 0.84 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N 0.00 -0.12 -1.00 0.00 0.00 -1.26 -4.91 120.51 113.22 1jba n ALA 19 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1jba n ALA 19 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1jba n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jba n ASP 20 N -0.81 0.00 -0.33 0.00 2.03 -1.26 -1.68 116.55 114.50 1jba n ASP 20 Ca -0.08 0.20 0.14 0.00 0.52 0.00 0.00 54.79 55.58 1jba n ASP 20 Cb 0.48 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.15 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jba n ALA 21 N -2.05 0.47 -0.30 -1.67 0.00 -1.26 0.14 120.51 115.85 1jba n ALA 21 Ca 0.00 1.01 0.13 0.00 0.00 0.00 0.00 53.44 54.57 1jba n ALA 21 Cb 0.00 -0.73 0.28 0.00 0.00 0.00 0.00 19.45 19.00 1jba n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h ALA 22 N 1.88 1.25 -0.31 0.00 0.00 -1.93 0.36 119.26 120.51 1jba h ALA 22 Ca 0.57 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 55.59 1jba h ALA 22 Cb 1.16 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1jba h ALA 22 CO -0.89 -0.46 -0.24 1.96 0.00 0.00 0.00 179.25 179.62 1jba h GLN 23 N 0.20 0.70 -0.98 0.00 4.20 0.22 -2.83 115.11 116.62 1jba h GLN 23 Ca 0.54 -0.35 0.07 0.00 0.06 0.00 0.00 58.65 58.98 1jba h GLN 23 Cb 1.09 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.80 1jba h GLN 23 CO -0.66 0.96 0.63 -0.07 -0.67 0.00 0.00 178.83 179.02 1jba h LEU 24 N 0.46 1.00 0.50 1.46 -0.00 0.08 0.83 115.31 119.63 1jba h LEU 24 Ca 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1jba h LEU 24 Cb 0.79 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1jba h LEU 24 CO 0.06 0.63 -0.24 -0.61 -0.00 0.00 0.00 178.44 178.28 1jba h GLN 25 N 1.13 -0.64 -0.46 1.13 4.15 -0.66 0.41 115.11 120.17 1jba h GLN 25 Ca 0.43 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.89 1jba h GLN 25 Cb 0.19 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1jba h GLN 25 CO -0.18 -0.43 0.29 1.49 -1.93 0.00 0.00 178.83 178.07 1jba h GLU 26 N -0.69 0.62 -0.02 1.69 4.81 -1.36 0.19 114.58 119.82 1jba h GLU 26 Ca -0.07 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jba h GLU 26 Cb 0.51 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1jba h GLU 26 CO 0.11 0.43 0.01 2.35 -0.73 0.00 0.00 179.01 181.19 1jba h TRP 27 N 0.62 0.00 0.22 0.92 7.01 0.69 -1.11 115.95 124.30 1jba h TRP 27 Ca 0.17 0.00 -0.33 0.00 2.11 0.00 0.00 58.89 60.84 1jba h TRP 27 Cb -0.04 0.00 0.03 0.00 -2.10 0.00 0.00 29.16 27.05 1jba h TRP 27 CO -0.04 0.00 -1.46 -0.92 -2.79 0.00 0.00 178.44 173.23 1jba h TYR 28 N 0.00 0.85 0.24 2.65 3.20 0.10 -2.63 116.97 121.37 1jba h TYR 28 Ca 0.01 -0.62 -0.01 0.00 3.14 0.00 0.00 58.73 61.25 1jba h TYR 28 Cb 0.04 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jba h TYR 28 CO 0.00 1.51 -0.11 -0.22 -1.64 0.00 0.00 178.16 177.70 1jba h LYS 29 N 0.13 -0.30 -0.61 1.82 1.63 0.22 -1.70 116.57 117.76 1jba h LYS 29 Ca -0.24 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1jba h LYS 29 Cb 2.12 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 33.79 1jba h LYS 29 CO 0.25 -0.15 0.35 -0.22 -3.45 0.00 0.00 179.45 176.23 1jba h LYS 30 N -0.38 0.84 -0.25 1.90 1.63 -1.36 -1.37 116.57 117.57 1jba h LYS 30 Ca -0.03 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.75 1jba h LYS 30 Cb 0.29 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1jba h LYS 30 CO 0.05 0.62 0.22 0.35 -3.45 0.00 0.00 179.45 177.25 1jba h PHE 31 N 0.82 0.00 0.00 1.91 3.57 -1.26 0.45 116.94 122.44 1jba h PHE 31 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1jba h PHE 31 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1jba h PHE 31 CO -0.01 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.35 1jba n LEU 32 N -4.11 0.00 0.05 0.59 4.77 -0.52 -2.92 117.00 114.86 1jba n LEU 32 Ca 0.03 0.47 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 1jba n LEU 32 Cb 0.37 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 1jba n LEU 32 CO 0.31 -0.07 -0.17 -0.08 -1.33 0.00 0.00 177.39 176.05 1jba h GLU 33 N 0.00 0.31 0.00 3.23 4.57 -0.03 -2.71 114.58 119.95 1jba h GLU 33 Ca 0.00 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1jba h GLU 33 Cb 0.41 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1jba h GLU 33 CO 0.00 1.26 0.00 0.39 -1.18 0.00 0.00 179.01 179.48 1jba n GLU 34 N -3.99 0.55 -2.91 1.92 -0.58 -1.20 -4.17 120.64 110.26 1jba n GLU 34 Ca -0.19 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.44 1jba n GLU 34 Cb 0.89 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jba n PRO 36 N 1.95 0.75 0.00 0.00 -0.02 -1.02 -3.22 135.00 133.44 1jba n PRO 36 Ca 0.15 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1jba n PRO 36 Cb 0.58 -3.35 0.00 0.00 -0.02 0.00 0.00 33.50 30.71 1jba n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jba n SER 37 N 16.39 0.00 0.00 2.55 7.64 -1.26 -4.95 113.62 133.99 1jba n SER 37 Ca 0.44 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1jba n SER 37 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jba n GLY 38 N 0.00 1.04 3.29 0.23 0.00 -1.20 -4.86 105.19 103.69 1jba n GLY 38 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -1.82 0.10 0.09 2.61 -4.23 -1.26 -3.62 115.64 107.50 1jba s THR 39 Ca 0.00 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1jba s THR 39 Cb 0.00 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 1jba s THR 39 CO 0.00 -0.44 0.15 -1.48 -0.54 0.00 0.00 174.62 172.32 1jba s LEU 40 N -2.86 1.59 0.27 4.79 0.05 -1.06 -5.00 118.68 116.46 1jba s LEU 40 Ca 0.06 -0.75 0.08 0.00 0.05 0.00 0.00 54.13 53.57 1jba s LEU 40 Cb 0.03 0.87 -0.04 0.00 -2.05 0.00 0.00 46.19 45.01 1jba s LEU 40 CO -0.09 -0.72 0.15 -0.36 -0.55 0.00 0.00 176.35 174.78 1jba s PHE 41 N -3.89 2.95 0.20 3.48 0.08 -1.26 -2.55 117.98 116.99 1jba s PHE 41 Ca 0.07 -0.18 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 1jba s PHE 41 Cb 0.05 -1.41 0.17 0.00 -0.57 0.00 0.00 43.02 41.27 1jba s PHE 41 CO -0.10 0.50 1.46 -1.33 -0.10 0.00 0.00 175.22 175.65 1jba n MET 42 N -1.12 -0.26 -0.32 0.44 2.81 -1.26 0.11 117.12 117.52 1jba n MET 42 Ca -0.06 1.44 0.14 0.00 -1.81 0.00 0.00 57.70 57.41 1jba n MET 42 Cb 0.59 -2.14 0.33 0.00 -0.71 0.00 0.00 33.22 31.28 1jba n MET 42 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1jba h HIS 43 N 0.00 0.80 0.00 2.03 6.17 -1.99 0.79 115.15 122.94 1jba h HIS 43 Ca 0.29 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.37 1jba h HIS 43 Cb 0.53 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 1jba h HIS 43 CO -0.86 0.02 -0.20 0.93 0.71 0.00 0.00 177.93 178.54 1jba h GLU 44 N 0.49 0.00 0.10 5.26 5.08 0.44 -2.47 114.58 123.48 1jba h GLU 44 Ca 0.58 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.74 1jba h GLU 44 Cb 1.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.35 1jba h GLU 44 CO -0.49 0.20 -0.83 0.35 -1.00 0.00 0.00 179.01 177.23 1jba h PHE 45 N 0.00 0.64 -0.10 4.33 3.57 0.38 -2.66 116.94 123.11 1jba h PHE 45 Ca -0.00 -0.42 -0.15 0.00 3.53 0.00 0.00 57.97 60.92 1jba h PHE 45 Cb 1.06 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1jba h PHE 45 CO 0.00 1.29 -0.60 0.87 -2.23 0.00 0.00 178.31 177.65 1jba h LYS 46 N -0.19 0.34 0.24 1.11 1.57 -0.46 -2.03 116.57 117.15 1jba h LYS 46 Ca -0.13 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1jba h LYS 46 Cb 1.60 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1jba h LYS 46 CO 0.16 0.83 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.67 1jba h ARG 47 N 0.25 -0.31 0.36 3.15 2.43 -1.52 -2.40 114.38 116.34 1jba h ARG 47 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1jba h ARG 47 Cb 1.11 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1jba h ARG 47 CO 0.10 -0.21 -0.31 0.35 -1.51 0.00 0.00 179.97 178.40 1jba h PHE 48 N -0.55 -0.82 0.18 2.20 3.04 -1.59 2.19 116.94 121.59 1jba h PHE 48 Ca -0.03 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.93 1jba h PHE 48 Cb 0.25 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.02 1jba h PHE 48 CO 0.06 -0.45 -0.52 0.35 -2.02 0.00 0.00 178.31 175.73 1jba h PHE 49 N -0.68 -1.51 -0.37 0.41 3.57 -1.52 -1.81 116.94 115.04 1jba h PHE 49 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1jba h PHE 49 Cb 0.60 0.63 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1jba h PHE 49 CO -0.16 -0.61 0.00 1.63 -2.23 0.00 0.00 178.31 176.94 1jba n LYS 50 N -5.50 1.94 -1.22 1.11 4.76 -0.90 -5.04 118.16 113.31 1jba n LYS 50 Ca -0.09 -1.37 0.13 0.00 -2.87 0.00 0.00 58.31 54.12 1jba n LYS 50 Cb 0.42 -1.33 -0.07 0.00 -1.84 0.00 0.00 35.03 32.21 1jba n LYS 50 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1jba n VAL 51 N 0.58 -0.54 -0.28 -0.18 0.24 0.74 -4.86 118.33 114.04 1jba n VAL 51 Ca 0.13 0.63 -0.16 0.00 -2.04 0.00 0.00 64.34 62.89 1jba n VAL 51 Cb 0.34 -1.00 0.16 0.00 -1.47 0.00 0.00 33.84 31.88 1jba n VAL 51 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1jba n PRO 52 N -3.95 -2.44 -0.45 7.34 -0.02 -1.23 -4.76 135.00 129.48 1jba n PRO 52 Ca -0.06 -0.79 0.06 0.00 -2.02 0.00 0.00 63.50 60.69 1jba n PRO 52 Cb 0.55 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.78 1jba n PRO 52 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jba n ASP 53 N -3.05 -4.12 -3.90 2.55 5.68 -1.26 -4.83 116.55 107.63 1jba n ASP 53 Ca 0.07 0.48 -0.38 0.00 -0.50 0.00 0.00 54.79 54.47 1jba n ASP 53 Cb 0.32 -1.49 0.02 0.00 -1.14 0.00 0.00 41.12 38.84 1jba n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jba n ASN 54 N -3.98 -4.69 -0.77 -1.12 3.02 -1.26 -4.79 115.26 101.66 1jba n ASN 54 Ca 0.00 -1.13 0.03 0.00 -0.03 0.00 0.00 54.58 53.44 1jba n ASN 54 Cb 0.21 -2.20 0.12 0.00 -0.61 0.00 0.00 39.78 37.29 1jba n ASN 54 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jba n GLU 55 N -4.30 1.99 -0.05 3.52 1.02 -1.26 -4.12 120.64 117.43 1jba n GLU 55 Ca -0.14 -0.92 -0.06 0.00 -0.02 0.00 0.00 57.16 56.02 1jba n GLU 55 Cb 0.59 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jba h GLU 56 N 1.25 -0.02 -2.02 3.49 5.08 -1.99 -3.30 114.58 117.07 1jba h GLU 56 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jba h GLU 56 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jba h GLU 56 CO 0.11 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1jba n ALA 57 N -2.70 2.76 -0.07 3.43 0.00 -1.26 -3.25 120.51 119.43 1jba n ALA 57 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1jba n ALA 57 Cb 0.21 -1.53 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 1jba n ALA 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jba n THR 58 N 1.79 0.88 -0.02 0.00 -1.04 -1.25 -4.21 114.28 110.44 1jba n THR 58 Ca 0.01 -0.69 -0.11 0.00 -2.04 0.00 0.00 64.05 61.21 1jba n THR 58 Cb 0.25 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.38 1jba n THR 58 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jba h GLN 59 N 0.00 0.15 0.24 -2.82 4.15 -1.83 -2.63 115.11 112.37 1jba h GLN 59 Ca -0.35 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 1jba h GLN 59 Cb 1.76 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.42 1jba h GLN 59 CO 0.02 0.25 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.09 1jba h TYR 60 N 0.02 -0.41 -0.64 3.99 3.20 -1.85 -2.65 116.97 118.63 1jba h TYR 60 Ca 0.03 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.01 1jba h TYR 60 Cb 0.15 0.15 -0.12 0.00 1.54 0.00 0.00 36.73 38.45 1jba h TYR 60 CO -0.02 -0.25 -0.32 0.28 -1.64 0.00 0.00 178.16 176.21 1jba h VAL 61 N -0.39 0.17 -0.75 1.81 2.07 -1.72 0.43 116.25 117.88 1jba h VAL 61 Ca -0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.67 1jba h VAL 61 Cb 0.33 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.16 1jba h VAL 61 CO 0.02 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 177.44 1jba h GLU 62 N -0.13 0.24 -0.70 1.57 5.08 -1.20 0.25 114.58 119.69 1jba h GLU 62 Ca 0.26 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.75 1jba h GLU 62 Cb 0.55 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 1jba h GLU 62 CO -0.71 0.16 0.01 0.00 -1.00 0.00 0.00 179.01 177.47 1jba h ALA 63 N 1.63 0.72 -0.09 3.43 0.00 0.20 0.27 119.26 125.42 1jba h ALA 63 Ca 0.43 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.59 1jba h ALA 63 Cb 0.74 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1jba h ALA 63 CO -0.53 -0.40 -0.39 1.98 0.00 0.00 0.00 179.25 179.90 1jba h MET 64 N 0.12 -0.47 0.00 0.00 1.85 -0.14 0.61 114.93 116.91 1jba h MET 64 Ca 0.37 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.50 1jba h MET 64 Cb 0.63 0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.77 1jba h MET 64 CO -0.60 -0.31 0.31 0.35 -0.40 0.00 0.00 176.91 176.26 1jba h PHE 65 N -0.49 0.00 0.00 1.39 3.04 -0.73 0.40 116.94 120.55 1jba h PHE 65 Ca 0.07 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.92 1jba h PHE 65 Cb 0.61 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 1jba h PHE 65 CO -0.44 0.00 -0.59 -0.09 -2.02 0.00 0.00 178.31 175.16 1jba h ARG 66 N 0.00 0.00 0.00 1.11 2.43 0.12 -3.24 114.38 114.80 1jba h ARG 66 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jba h ARG 66 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1jba h ARG 66 CO 0.00 0.81 -0.53 0.00 -1.51 0.00 0.00 179.97 178.74 1jba n ALA 67 N -3.08 3.48 -0.13 2.80 0.00 -0.34 -4.45 120.51 118.80 1jba n ALA 67 Ca -0.18 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 1jba n ALA 67 Cb 0.50 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -1.58 0.05 0.00 0.00 7.35 0.13 -4.74 117.46 118.67 1jba n PHE 68 Ca 0.05 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1jba n PHE 68 Cb 0.35 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.27 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jba n ASP 69 N -4.30 0.00 -1.82 -2.13 -0.08 -1.22 -5.01 116.55 101.99 1jba n ASP 69 Ca -0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1jba n ASP 69 Cb 0.81 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.27 1jba n ASP 69 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1jba n THR 70 N 0.00-11.29 -0.11 5.18 -2.24 -1.26 -5.02 114.28 99.54 1jba n THR 70 Ca 0.00 2.71 0.00 0.00 -2.27 0.00 0.00 64.05 64.49 1jba n THR 70 Cb 0.00 -4.99 0.00 0.00 -2.10 0.00 0.00 70.33 63.24 1jba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jba n ASN 71 N 1.51 0.00 -0.44 3.42 6.94 -1.26 -5.01 115.26 120.42 1jba n ASN 71 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1jba n ASN 71 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 72 N 0.00 0.59 0.00 4.83 0.00 -1.26 -4.99 105.19 104.36 1jba n GLY 72 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1jba n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 73 N -0.44 0.00 -3.76 1.61 5.75 -1.26 -5.03 116.55 113.42 1jba n ASP 73 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.52 1jba n ASP 73 Cb 0.19 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.33 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1jba n ASN 74 N -0.20 -4.23 -3.78 -1.12 3.02 -1.26 -4.97 115.26 102.71 1jba n ASN 74 Ca 0.00 -0.72 -0.12 0.00 -0.03 0.00 0.00 54.58 53.71 1jba n ASN 74 Cb 0.00 -4.28 -0.08 0.00 -0.61 0.00 0.00 39.78 34.80 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jba s THR 75 N -3.39 0.08 -0.27 3.41 -4.23 -1.26 -4.89 115.64 105.09 1jba s THR 75 Ca 0.46 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1jba s THR 75 Cb -0.22 -0.75 0.07 0.00 1.34 0.00 0.00 72.50 72.94 1jba s THR 75 CO 0.80 -0.34 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.89 1jba s ILE 76 N -1.91 1.59 0.56 2.99 1.01 -1.06 -4.92 121.20 119.45 1jba s ILE 76 Ca -0.10 -1.46 -0.09 0.00 0.00 0.00 0.00 60.65 59.01 1jba s ILE 76 Cb -0.03 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1jba s ILE 76 CO 0.00 -0.27 0.92 1.51 0.00 0.00 0.00 174.94 177.10 1jba s ASP 77 N 1.33 6.25 0.57 3.58 1.47 -1.26 -2.56 116.67 126.05 1jba s ASP 77 Ca -0.01 1.21 0.39 0.00 1.18 0.00 0.00 52.55 55.32 1jba s ASP 77 Cb -0.19 -2.37 1.48 0.00 -0.34 0.00 0.00 42.92 41.50 1jba s ASP 77 CO -0.09 -0.74 1.62 0.15 0.68 0.00 0.00 175.17 176.80 1jba h PHE 78 N -0.05 0.00 0.03 2.11 3.57 -1.95 -1.91 116.94 118.74 1jba h PHE 78 Ca -0.45 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1jba h PHE 78 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1jba h PHE 78 CO 0.63 0.00 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.62 1jba h LEU 79 N 0.00 -0.04 -0.94 0.59 4.07 -1.90 -2.39 115.31 114.71 1jba h LEU 79 Ca 0.65 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.83 1jba h LEU 79 Cb 2.84 0.01 -0.17 0.00 1.08 0.00 0.00 40.66 44.42 1jba h LEU 79 CO -0.01 0.02 -0.07 -0.33 -1.08 0.00 0.00 178.44 176.97 1jba h GLU 80 N -0.13 0.02 -0.44 1.13 5.08 -1.77 0.88 114.58 119.35 1jba h GLU 80 Ca -0.00 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1jba h GLU 80 Cb 0.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1jba h GLU 80 CO 0.01 0.01 0.20 -0.92 -1.00 0.00 0.00 179.01 177.31 1jba h TYR 81 N 0.02 0.37 -0.63 4.33 3.20 -1.48 -2.11 116.97 120.67 1jba h TYR 81 Ca 0.52 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.40 1jba h TYR 81 Cb 0.96 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1jba h TYR 81 CO -0.57 0.18 0.36 0.28 -1.64 0.00 0.00 178.16 176.77 1jba h VAL 82 N 0.41 1.20 -0.85 1.81 2.07 0.12 -2.08 116.25 118.93 1jba h VAL 82 Ca 0.19 -0.48 0.21 0.00 0.82 0.00 0.00 66.70 67.44 1jba h VAL 82 Cb 0.12 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.14 1jba h VAL 82 CO -0.15 0.21 0.29 0.00 0.02 0.00 0.00 177.57 177.94 1jba h ALA 83 N 1.17 1.26 -0.23 1.67 0.00 -0.08 0.25 119.26 123.30 1jba h ALA 83 Ca 0.22 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1jba h ALA 83 Cb 0.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jba h ALA 83 CO -0.04 -0.38 0.10 0.00 0.00 0.00 0.00 179.25 178.94 1jba h ALA 84 N 1.70 0.27 -0.11 0.00 0.00 -1.12 -2.71 119.26 117.29 1jba h ALA 84 Ca 0.52 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1jba h ALA 84 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jba h ALA 84 CO -0.56 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 179.66 1jba n LEU 85 N -5.00 0.00 -0.33 0.00 4.77 0.84 -0.80 117.00 116.48 1jba n LEU 85 Ca -0.02 0.98 0.31 0.00 -0.03 0.00 0.00 56.01 57.25 1jba n LEU 85 Cb 0.06 -0.48 0.54 0.00 -2.33 0.00 0.00 43.42 41.21 1jba n LEU 85 CO 0.31 -0.48 0.98 0.59 -1.33 0.00 0.00 177.39 177.46 1jba n ASN 86 N -2.52 0.26 0.06 -1.43 3.02 -0.95 0.27 115.26 113.96 1jba n ASN 86 Ca 0.00 1.35 -0.12 0.00 -0.03 0.00 0.00 54.58 55.77 1jba n ASN 86 Cb 0.00 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 1jba n ASN 86 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1jba h LEU 87 N 0.00 -0.17 0.08 3.41 7.12 -0.72 -3.37 115.31 121.66 1jba h LEU 87 Ca 0.75 -0.36 -0.14 0.00 0.13 0.00 0.00 57.88 58.26 1jba h LEU 87 Cb 2.16 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.34 1jba h LEU 87 CO -0.56 0.32 -0.68 1.62 -0.13 0.00 0.00 178.44 179.01 1jba h VAL 88 N -0.72 1.47 -2.27 1.05 3.04 0.19 -3.45 116.25 115.56 1jba h VAL 88 Ca -0.02 -2.42 -0.57 0.00 -1.01 0.00 0.00 66.70 62.68 1jba h VAL 88 Cb 0.51 3.10 0.03 0.00 -2.01 0.00 0.00 31.29 32.93 1jba h VAL 88 CO 0.03 0.64 1.05 -0.11 -1.01 0.00 0.00 177.57 178.18 1jba n LEU 89 N -4.28 3.66 0.00 3.16 7.94 0.76 -4.74 117.00 123.49 1jba n LEU 89 Ca -0.16 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 1jba n LEU 89 Cb 0.71 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1jba n LEU 89 CO 0.40 0.00 0.00 -2.11 -1.11 0.00 0.00 177.39 174.57 1jba n ARG 90 N 5.71 0.00 -2.93 1.96 1.85 -1.26 -4.63 116.66 117.36 1jba n ARG 90 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.03 1jba n ARG 90 Cb 0.33 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.74 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jba n GLY 91 N 0.00 -2.37 2.56 2.89 0.00 -1.26 -4.82 105.19 102.19 1jba n GLY 91 Ca 0.00 0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 1jba n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jba n THR 92 N 0.87 4.97 -3.53 2.61 -1.04 -1.26 -4.91 114.28 111.99 1jba n THR 92 Ca 0.00 -4.51 -0.28 0.00 -2.04 0.00 0.00 64.05 57.22 1jba n THR 92 Cb 0.24 -1.77 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 1jba n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jba s LEU 93 N -2.90 4.15 0.64 -4.42 1.02 -1.26 -4.93 118.68 110.97 1jba s LEU 93 Ca 0.51 0.54 0.21 0.00 0.02 0.00 0.00 54.13 55.41 1jba s LEU 93 Cb 0.25 -3.33 1.08 0.00 0.02 0.00 0.00 46.19 44.20 1jba s LEU 93 CO -0.16 -0.12 1.59 1.05 0.02 0.00 0.00 176.35 178.74 1jba h GLU 94 N 1.84 0.00 0.00 1.70 4.11 -2.03 -0.01 114.58 120.19 1jba h GLU 94 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1jba h GLU 94 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1jba h GLU 94 CO 0.67 0.00 0.37 1.58 0.07 0.00 0.00 179.01 181.70 1jba n HIS 95 N -2.98 0.14 -0.04 2.06 -0.00 -1.26 -0.02 115.22 113.13 1jba n HIS 95 Ca 0.03 0.08 -0.14 0.00 0.46 0.00 0.00 57.72 58.15 1jba n HIS 95 Cb 0.74 -0.32 -0.09 0.00 -0.12 0.00 0.00 29.99 30.19 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1jba h LYS 96 N 0.00 0.25 -1.21 1.57 1.63 -1.34 -2.78 116.57 114.69 1jba h LYS 96 Ca 0.00 -0.18 0.35 0.00 -0.85 0.00 0.00 60.65 59.97 1jba h LYS 96 Cb 0.74 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.30 1jba h LYS 96 CO 0.00 0.80 0.80 -0.07 -3.45 0.00 0.00 179.45 177.53 1jba h LEU 97 N -0.25 0.27 0.23 5.20 3.38 -0.69 0.81 115.31 124.26 1jba h LEU 97 Ca -0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jba h LEU 97 Cb 0.81 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jba h LEU 97 CO 0.04 -0.02 -0.11 0.50 0.09 0.00 0.00 178.44 178.94 1jba h LYS 98 N 0.20 -0.29 -1.02 1.13 3.64 -1.64 -2.70 116.57 115.88 1jba h LYS 98 Ca 0.68 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 60.35 1jba h LYS 98 Cb 2.11 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 33.87 1jba h LYS 98 CO -0.26 -0.20 0.61 2.35 -2.27 0.00 0.00 179.45 179.68 1jba h TRP 99 N -0.92 0.94 0.19 1.91 7.01 -1.03 0.23 115.95 124.28 1jba h TRP 99 Ca -0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1jba h TRP 99 Cb 0.23 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1jba h TRP 99 CO 0.01 0.01 -0.09 1.79 -2.79 0.00 0.00 178.44 177.36 1jba h THR 100 N 0.49 0.89 -0.41 2.65 1.35 -0.96 -2.37 112.91 114.55 1jba h THR 100 Ca 0.66 -0.40 0.12 0.00 -0.55 0.00 0.00 66.41 66.25 1jba h THR 100 Cb 1.39 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1jba h THR 100 CO -0.48 0.09 0.34 0.15 -0.25 0.00 0.00 175.52 175.37 1jba h PHE 101 N -0.45 0.00 -0.12 4.73 3.57 -0.65 -1.10 116.94 122.91 1jba h PHE 101 Ca -0.03 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 1jba h PHE 101 Cb 0.35 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.09 1jba h PHE 101 CO -0.01 0.00 -0.47 0.87 -2.23 0.00 0.00 178.31 176.47 1jba h LYS 102 N 0.00 0.53 -0.27 1.11 1.79 -0.81 -2.92 116.57 116.01 1jba h LYS 102 Ca 0.19 -0.41 0.03 0.00 -2.18 0.00 0.00 60.65 58.29 1jba h LYS 102 Cb 0.87 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1jba h LYS 102 CO -0.00 1.03 0.18 0.82 -1.08 0.00 0.00 179.45 180.40 1jba h ILE 103 N 0.14 1.00 -0.01 1.86 1.08 -0.71 -1.56 117.51 119.30 1jba h ILE 103 Ca -0.02 -0.08 -0.17 0.00 -0.39 0.00 0.00 64.86 64.19 1jba h ILE 103 Cb 1.10 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1jba h ILE 103 CO 0.10 0.04 -0.77 1.88 -0.69 0.00 0.00 178.15 178.71 1jba h TYR 104 N 0.24 0.14 -2.05 1.37 0.05 -1.43 -3.42 116.97 111.87 1jba h TYR 104 Ca 0.11 -0.07 -0.51 0.00 0.05 0.00 0.00 58.73 58.32 1jba h TYR 104 Cb 0.15 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1jba h TYR 104 CO -0.00 0.83 1.37 0.34 -1.05 0.00 0.00 178.16 179.65 1jba s ASP 105 N -6.86 5.28 0.03 3.88 2.15 -0.59 -4.71 116.67 115.85 1jba s ASP 105 Ca -0.02 0.53 -0.03 0.00 0.43 0.00 0.00 52.55 53.46 1jba s ASP 105 Cb 0.11 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.19 1jba s ASP 105 CO 0.80 -2.33 -0.07 1.17 -0.17 0.00 0.00 175.17 174.57 1jba n LYS 106 N 9.06 0.11 0.00 4.34 4.81 -1.26 -4.62 118.16 130.60 1jba n LYS 106 Ca 0.22 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1jba n LYS 106 Cb 0.52 -0.68 0.00 0.00 0.02 0.00 0.00 35.03 34.88 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jba n ASP 107 N -3.61 0.02 -2.99 3.14 5.75 -1.26 -4.84 116.55 112.76 1jba n ASP 107 Ca -0.04 -0.43 -0.03 0.00 -0.01 0.00 0.00 54.79 54.28 1jba n ASP 107 Cb 0.19 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1jba n ASP 107 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jba n ARG 108 N -0.40 -1.84 0.00 0.11 1.74 -1.26 -4.95 116.66 110.05 1jba n ARG 108 Ca 0.00 1.73 0.00 0.00 -0.77 0.00 0.00 57.85 58.81 1jba n ARG 108 Cb 0.01 -3.14 0.00 0.00 -1.02 0.00 0.00 32.46 28.30 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1jba n ASN 109 N 0.88 0.00 0.00 0.55 2.04 -1.26 -4.98 115.26 112.48 1jba n ASN 109 Ca 0.00 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.14 1jba n ASN 109 Cb 0.30 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jba n GLY 110 N 0.00 2.78 3.10 4.83 0.00 -1.26 -4.94 105.19 109.69 1jba n GLY 110 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -2.99 4.97 0.11 0.00 1.01 0.34 -4.84 121.20 119.80 1jba s ILE 112 Ca -0.02 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1jba s ILE 112 Cb 0.01 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1jba s ILE 112 CO -0.06 -0.35 -0.06 -0.62 0.00 0.00 0.00 174.94 173.85 1jba s ASP 113 N -3.12 1.18 0.62 3.58 2.15 -1.26 -2.64 116.67 117.17 1jba s ASP 113 Ca 0.45 -1.03 0.32 0.00 0.43 0.00 0.00 52.55 52.73 1jba s ASP 113 Cb -0.11 0.10 1.82 0.00 -0.30 0.00 0.00 42.92 44.43 1jba s ASP 113 CO 0.30 -0.48 2.13 0.03 -0.17 0.00 0.00 175.17 176.98 1jba h ARG 114 N 2.92 0.00 0.23 4.34 3.08 -1.98 -1.47 114.38 121.49 1jba h ARG 114 Ca -0.36 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.36 1jba h ARG 114 Cb 1.17 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.26 1jba h ARG 114 CO 0.64 0.00 -1.44 1.96 -1.07 0.00 0.00 179.97 180.06 1jba h GLN 115 N 0.00 0.55 -0.14 0.04 4.20 -1.95 -2.70 115.11 115.10 1jba h GLN 115 Ca 0.05 -0.90 -0.02 0.00 0.06 0.00 0.00 58.65 57.84 1jba h GLN 115 Cb 0.41 0.33 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1jba h GLN 115 CO -0.00 1.43 -0.01 0.93 -0.67 0.00 0.00 178.83 180.51 1jba h GLU 116 N 0.17 0.20 0.07 1.46 5.08 -1.62 -2.64 114.58 117.29 1jba h GLU 116 Ca -0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1jba h GLU 116 Cb 2.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1jba h GLU 116 CO 0.27 0.24 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.41 1jba h LEU 117 N 0.20 -0.08 -1.57 1.33 3.38 -1.54 -1.89 115.31 115.14 1jba h LEU 117 Ca 0.05 -0.44 0.47 0.00 0.09 0.00 0.00 57.88 58.05 1jba h LEU 117 Cb 0.16 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 1jba h LEU 117 CO 0.00 0.59 0.99 0.25 0.09 0.00 0.00 178.44 180.37 1jba h LEU 118 N -0.95 0.17 0.15 1.67 5.85 -1.37 2.42 115.31 123.25 1jba h LEU 118 Ca -0.01 0.10 -0.31 0.00 0.84 0.00 0.00 57.88 58.50 1jba h LEU 118 Cb 0.52 0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.68 1jba h LEU 118 CO 0.02 -0.15 -1.30 -0.78 -0.34 0.00 0.00 178.44 175.89 1jba h ASP 119 N 0.05 0.89 0.03 1.25 1.82 -1.46 -2.74 116.42 116.26 1jba h ASP 119 Ca 0.85 -0.84 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1jba h ASP 119 Cb 2.89 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 42.62 1jba h ASP 119 CO -0.32 1.64 -0.02 0.40 -1.61 0.00 0.00 179.24 179.34 1jba h ILE 120 N 0.26 1.19 -0.87 2.25 2.04 0.42 -2.73 117.51 120.06 1jba h ILE 120 Ca -0.20 -1.73 0.22 0.00 1.00 0.00 0.00 64.86 64.15 1jba h ILE 120 Cb 1.97 2.17 -0.13 0.00 -0.74 0.00 0.00 36.82 40.10 1jba h ILE 120 CO 0.25 0.38 0.29 0.58 0.00 0.00 0.00 178.15 179.64 1jba h VAL 121 N -0.94 0.40 -0.91 1.67 2.07 0.21 2.09 116.25 120.83 1jba h VAL 121 Ca -0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1jba h VAL 121 Cb 0.65 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1jba h VAL 121 CO 0.01 0.05 0.60 -0.33 0.02 0.00 0.00 177.57 177.92 1jba h GLU 122 N 0.28 1.04 -0.58 1.57 4.39 -1.52 0.15 114.58 119.91 1jba h GLU 122 Ca 0.54 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 60.07 1jba h GLU 122 Cb 1.05 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1jba h GLU 122 CO -0.59 0.69 -0.03 1.03 -1.16 0.00 0.00 179.01 178.95 1jba h SER 123 N 1.07 1.02 0.02 1.42 0.87 0.35 -2.52 113.55 115.78 1jba h SER 123 Ca 0.38 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1jba h SER 123 Cb 0.14 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1jba h SER 123 CO -0.14 1.09 -0.24 0.40 -0.53 0.00 0.00 176.83 177.41 1jba h ILE 124 N 0.94 1.25 0.23 2.23 5.03 0.13 -2.60 117.51 124.72 1jba h ILE 124 Ca 0.16 -1.18 -0.01 0.00 -0.12 0.00 0.00 64.86 63.71 1jba h ILE 124 Cb 0.58 1.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 1jba h ILE 124 CO 0.03 0.37 -0.11 1.88 -0.68 0.00 0.00 178.15 179.64 1jba h TYR 125 N 0.33 -0.29 -0.83 1.37 -1.99 -0.43 -2.33 116.97 112.81 1jba h TYR 125 Ca 0.05 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.86 1jba h TYR 125 Cb 0.61 0.09 -0.06 0.00 2.00 0.00 0.00 36.73 39.38 1jba h TYR 125 CO 0.02 -0.04 0.54 -0.22 -0.00 0.00 0.00 178.16 178.45 1jba h LYS 126 N -0.50 0.81 0.80 4.88 3.64 -1.38 -2.49 116.57 122.33 1jba h LYS 126 Ca -0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1jba h LYS 126 Cb 0.37 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1jba h LYS 126 CO 0.05 0.54 -0.39 1.25 -2.27 0.00 0.00 179.45 178.62 1jba h LEU 127 N 0.83 -0.94 -1.52 5.20 5.85 -1.24 -2.17 115.31 121.33 1jba h LEU 127 Ca 0.37 0.03 0.37 0.00 0.84 0.00 0.00 57.88 59.50 1jba h LEU 127 Cb 0.34 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 1jba h LEU 127 CO -0.14 -0.66 0.83 0.50 -0.34 0.00 0.00 178.44 178.62 1jba h LYS 128 N -1.09 0.17 0.00 1.25 3.64 -1.13 1.97 116.57 121.37 1jba h LYS 128 Ca -0.11 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1jba h LYS 128 Cb 0.84 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1jba h LYS 128 CO 0.17 0.11 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.98 1jba h LYS 129 N 0.17 0.00 0.00 1.90 3.64 -0.99 -2.89 116.57 118.41 1jba h LYS 129 Ca 0.72 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.10 1jba h LYS 129 Cb 2.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.07 1jba h LYS 129 CO -0.29 0.26 -1.43 0.00 -2.27 0.00 0.00 179.45 175.72 1jba n ALA 130 N -2.27 2.86 -0.10 5.00 0.00 0.64 -4.12 120.51 122.52 1jba n ALA 130 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1jba n ALA 130 Cb 0.42 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1jba n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n SER 132 N 1.58 -5.96 -3.43 0.00 2.88 -1.26 -4.95 113.62 102.49 1jba n SER 132 Ca 0.00 -0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 1jba n SER 132 Cb 0.23 -4.95 -0.03 0.00 -0.75 0.00 0.00 64.21 58.71 1jba n SER 132 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1jba s VAL 133 N -3.05 0.00 0.00 2.46 1.01 -1.25 -5.12 120.40 114.45 1jba s VAL 133 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1jba s VAL 133 Cb -0.01 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1jba s VAL 133 CO 0.02 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.50 1jba n GLU 134 N -0.50 0.00 -2.87 2.72 1.02 -1.26 -4.01 120.64 115.74 1jba n GLU 134 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1jba n GLU 134 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1jba n VAL 135 N 0.00 0.00 -0.01 2.62 3.14 -1.26 -4.78 118.33 118.04 1jba n VAL 135 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1jba n VAL 135 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1jba n VAL 135 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1jba h GLU 136 N 1.77 0.00 -5.75 1.45 3.07 -1.99 -3.40 114.58 109.73 1jba h GLU 136 Ca 0.00 -0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 1jba h GLU 136 Cb 0.00 -0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 1jba h GLU 136 CO 0.00 0.44 0.34 0.00 -1.40 0.00 0.00 179.01 178.39 1jba s ALA 137 N -4.45 3.29 0.00 3.43 0.00 -1.26 -4.96 121.76 117.81 1jba s ALA 137 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1jba s ALA 137 Cb 0.02 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1jba s ALA 137 CO 0.67 -1.93 0.00 0.39 0.00 0.00 0.00 175.76 174.89 1jba n GLU 138 N 6.70 0.00 -1.03 0.00 1.02 -1.26 -4.88 120.64 121.19 1jba n GLU 138 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1jba n GLU 138 Cb 0.48 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.74 1jba n GLU 138 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1jba n GLN 139 N 0.00 2.10 -0.08 3.49 7.27 -1.26 -3.98 117.38 124.92 1jba n GLN 139 Ca 0.00 -1.10 0.05 0.00 0.07 0.00 0.00 57.00 56.02 1jba n GLN 139 Cb 0.00 -2.05 0.09 0.00 2.41 0.00 0.00 30.24 30.69 1jba n GLN 139 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1jba n GLN 140 N 2.52 1.66 0.00 3.69 1.13 -1.26 -5.03 117.38 120.08 1jba n GLN 140 Ca 0.45 -1.56 0.00 0.00 -1.94 0.00 0.00 57.00 53.95 1jba n GLN 140 Cb 0.87 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 30.01 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jba n GLY 141 N 0.49 0.41 3.76 1.08 0.00 -1.26 -4.63 105.19 105.04 1jba n GLY 141 Ca 0.08 0.67 -0.39 0.00 0.00 0.00 0.00 46.02 46.38 1jba n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jba s LYS 142 N 0.00 3.74 0.25 1.61 -0.14 -1.26 -4.88 119.74 119.06 1jba s LYS 142 Ca 0.00 2.27 -0.30 0.00 -1.36 0.00 0.00 55.97 56.58 1jba s LYS 142 Cb 0.00 -2.64 -0.14 0.00 -1.68 0.00 0.00 37.83 33.37 1jba s LYS 142 CO 0.00 -0.72 1.21 1.28 -0.76 0.00 0.00 175.35 176.36 1jba n LEU 143 N -0.17 2.37 -4.23 3.17 7.99 -1.26 -4.85 117.00 120.02 1jba n LEU 143 Ca 0.05 1.16 -0.44 0.00 -0.01 0.00 0.00 56.01 56.78 1jba n LEU 143 Cb 0.43 -1.34 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1jba n LEU 143 CO 0.56 -0.97 1.44 -0.11 -1.51 0.00 0.00 177.39 176.80 1jba n LEU 144 N 1.63 5.80 -4.75 2.23 -0.00 -1.26 -5.00 117.00 115.64 1jba n LEU 144 Ca 0.11 -4.68 -0.37 0.00 -0.00 0.00 0.00 56.01 51.07 1jba n LEU 144 Cb 0.31 -1.52 0.04 0.00 -0.00 0.00 0.00 43.42 42.24 1jba n LEU 144 CO 0.61 1.10 0.91 0.42 -0.00 0.00 0.00 177.39 180.44 1jba s THR 145 N 0.35 2.30 0.38 1.96 -4.23 -1.26 -4.86 115.64 110.28 1jba s THR 145 Ca 0.39 0.20 0.34 0.00 -1.18 0.00 0.00 61.69 61.44 1jba s THR 145 Cb 0.00 -3.09 0.34 0.00 1.34 0.00 0.00 72.50 71.09 1jba s THR 145 CO 0.00 -0.02 2.04 1.55 -0.54 0.00 0.00 174.62 177.65 1jba h PRO 146 N 1.13 0.00 0.19 3.99 0.13 -1.98 -1.82 132.00 133.65 1jba h PRO 146 Ca -0.51 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.36 1jba h PRO 146 Cb 1.30 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.46 1jba h PRO 146 CO 0.56 0.00 -1.15 1.49 -0.23 0.00 0.00 178.00 178.67 1jba h GLU 147 N 0.00 0.41 0.03 0.86 4.22 -1.96 -3.14 114.58 115.00 1jba h GLU 147 Ca 0.00 -0.69 0.02 0.00 0.08 0.00 0.00 59.36 58.77 1jba h GLU 147 Cb 0.13 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1jba h GLU 147 CO 0.00 1.33 -0.17 0.93 -2.18 0.00 0.00 179.01 178.92 1jba h GLU 148 N -0.14 -0.29 -0.41 1.92 4.39 -1.69 -1.43 114.58 116.94 1jba h GLU 148 Ca -0.20 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.57 1jba h GLU 148 Cb 1.89 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.55 1jba h GLU 148 CO 0.20 -0.19 0.12 -0.39 -1.16 0.00 0.00 179.01 177.59 1jba h VAL 149 N -0.30 0.84 -0.01 3.13 -1.51 -1.68 0.11 116.25 116.83 1jba h VAL 149 Ca 0.04 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1jba h VAL 149 Cb 0.35 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.06 1jba h VAL 149 CO -0.14 0.05 0.02 0.58 -1.23 0.00 0.00 177.57 176.85 1jba h VAL 150 N 0.26 0.16 0.00 7.19 2.07 -1.40 0.37 116.25 124.90 1jba h VAL 150 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1jba h VAL 150 Cb 0.20 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1jba h VAL 150 CO -0.22 0.00 -0.91 -0.78 0.02 0.00 0.00 177.57 175.68 1jba h ASP 151 N 0.00 0.00 0.00 0.57 1.82 0.27 -3.28 116.42 115.80 1jba h ASP 151 Ca 0.00 -0.09 -0.15 0.00 -0.39 0.00 0.00 57.03 56.41 1jba h ASP 151 Cb 0.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1jba h ASP 151 CO -0.00 0.04 -0.97 0.03 -1.61 0.00 0.00 179.24 176.73 1jba h ARG 152 N 0.00 0.00 -0.99 0.28 2.47 0.15 -2.53 114.38 113.76 1jba h ARG 152 Ca 0.00 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 1jba h ARG 152 Cb 0.91 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.15 1jba h ARG 152 CO 0.00 0.65 0.63 0.82 0.56 0.00 0.00 179.97 182.63 1jba h ILE 153 N -1.00 0.93 0.02 2.04 2.04 -1.49 0.35 117.51 120.39 1jba h ILE 153 Ca -0.22 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1jba h ILE 153 Cb 1.01 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1jba h ILE 153 CO -0.13 0.18 -0.01 0.15 0.00 0.00 0.00 178.15 178.33 1jba h PHE 154 N 0.98 -0.03 -0.08 1.37 3.57 -1.73 -2.85 116.94 118.18 1jba h PHE 154 Ca 0.48 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 62.01 1jba h PHE 154 Cb 0.48 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1jba h PHE 154 CO -0.00 0.21 0.07 1.25 -2.23 0.00 0.00 178.31 177.61 1jba h LEU 155 N -1.00 0.00 -0.01 0.59 5.85 -1.38 1.42 115.31 120.78 1jba h LEU 155 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1jba h LEU 155 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1jba h LEU 155 CO 0.00 0.00 -0.19 0.25 -0.34 0.00 0.00 178.44 178.17 1jba h LEU 156 N 0.00 0.18 0.07 2.25 6.46 -0.41 -3.38 115.31 120.47 1jba h LEU 156 Ca 0.04 -0.75 -0.20 0.00 -0.12 0.00 0.00 57.88 56.85 1jba h LEU 156 Cb 0.18 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1jba h LEU 156 CO -0.00 0.90 -1.04 0.58 -0.62 0.00 0.00 178.44 178.27 1jba h VAL 157 N -0.52 1.20 -0.02 1.05 2.07 -1.19 -3.47 116.25 115.36 1jba h VAL 157 Ca -0.02 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1jba h VAL 157 Cb 0.92 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1jba h VAL 157 CO 0.04 0.59 0.00 -0.67 0.02 0.00 0.00 177.57 177.55 1jba n ASP 158 N -4.20 0.00 -0.27 0.57 2.03 0.48 -4.48 116.55 110.67 1jba n ASP 158 Ca -0.23 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.05 1jba n ASP 158 Cb 0.75 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.14 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N 0.00 -1.13 0.02 -0.67 2.13 -1.26 -4.85 120.64 114.88 1jba n GLU 159 Ca 0.00 0.48 -0.19 0.00 0.66 0.00 0.00 57.16 58.12 1jba n GLU 159 Cb 0.00 -4.44 -0.11 0.00 0.27 0.00 0.00 31.44 27.17 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1jba h ASN 160 N 0.00 0.69 0.00 4.31 7.08 -1.94 -3.47 115.58 122.25 1jba h ASN 160 Ca -0.07 -0.75 0.00 0.00 -3.08 0.00 0.00 56.30 52.40 1jba h ASN 160 Cb 0.67 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 1jba h ASN 160 CO 0.11 1.35 0.00 0.61 -2.08 0.00 0.00 177.43 177.42 1jba n GLY 161 N 1.06 -0.62 0.00 9.14 0.00 -1.26 -5.05 105.19 108.46 1jba n GLY 161 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N 0.00 0.00 -2.07 1.61 5.68 -1.26 -5.00 116.55 115.51 1jba n ASP 162 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1jba n ASP 162 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N 0.00 -0.38 3.13 6.12 0.00 -1.26 -4.97 105.19 107.84 1jba n GLY 163 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1jba n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jba s GLN 164 N -4.90 0.24 -0.53 1.61 -0.21 -1.26 -5.02 119.66 109.58 1jba s GLN 164 Ca 0.00 0.86 -0.21 0.00 0.02 0.00 0.00 55.36 56.03 1jba s GLN 164 Cb 0.00 0.11 0.05 0.00 1.00 0.00 0.00 33.01 34.18 1jba s GLN 164 CO 0.00 -0.26 0.76 -1.17 -2.12 0.00 0.00 175.29 172.51 1jba s LEU 165 N 2.36 4.61 0.66 2.90 2.96 -1.08 -4.91 118.68 126.18 1jba s LEU 165 Ca -0.01 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.25 1jba s LEU 165 Cb -0.12 -2.60 0.12 0.00 0.50 0.00 0.00 46.19 44.09 1jba s LEU 165 CO -0.11 -1.05 0.91 -0.94 -1.32 0.00 0.00 176.35 173.85 1jba s SER 166 N 2.80 4.65 0.03 3.68 1.04 -1.26 -0.51 113.70 124.13 1jba s SER 166 Ca 0.21 -0.67 -0.31 0.00 0.48 0.00 0.00 55.95 55.66 1jba s SER 166 Cb -0.17 0.26 -0.17 0.00 0.10 0.00 0.00 66.02 66.05 1jba s SER 166 CO 0.15 -1.67 1.30 0.25 0.98 0.00 0.00 173.24 174.25 1jba h LEU 167 N -0.22 -0.94 -0.98 2.42 5.85 -1.96 -1.77 115.31 117.71 1jba h LEU 167 Ca -0.32 0.03 0.25 0.00 0.84 0.00 0.00 57.88 58.68 1jba h LEU 167 Cb 1.28 0.24 -0.18 0.00 0.37 0.00 0.00 40.66 42.36 1jba h LEU 167 CO 0.39 -0.60 -0.07 -3.20 -0.34 0.00 0.00 178.44 174.63 1jba n ASN 168 N -5.40 -0.19 0.10 1.25 4.05 -1.26 0.17 115.26 113.97 1jba n ASN 168 Ca -0.14 1.67 -0.13 0.00 0.45 0.00 0.00 54.58 56.43 1jba n ASN 168 Cb 0.44 -0.58 -0.08 0.00 1.23 0.00 0.00 39.78 40.79 1jba n ASN 168 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1jba h GLU 169 N 0.00 -0.21 -0.31 1.20 5.08 -1.94 -0.13 114.58 118.27 1jba h GLU 169 Ca 0.55 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.92 1jba h GLU 169 Cb 1.06 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1jba h GLU 169 CO -0.95 0.03 0.17 0.35 -1.00 0.00 0.00 179.01 177.61 1jba h PHE 170 N -0.44 0.43 0.58 4.33 3.04 0.45 -0.39 116.94 124.94 1jba h PHE 170 Ca -0.02 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1jba h PHE 170 Cb 0.34 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1jba h PHE 170 CO -0.00 0.36 -0.42 0.28 -2.02 0.00 0.00 178.31 176.51 1jba h VAL 171 N 0.38 0.16 0.00 1.41 2.07 0.17 0.91 116.25 121.35 1jba h VAL 171 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1jba h VAL 171 Cb 0.07 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1jba h VAL 171 CO -0.02 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.78 1jba n GLU 172 N -5.54 0.11 0.00 1.57 0.00 -0.07 -0.99 120.64 115.73 1jba n GLU 172 Ca -0.12 0.52 0.08 0.00 0.00 0.00 0.00 57.16 57.64 1jba n GLU 172 Cb 0.43 -1.81 -0.05 0.00 0.00 0.00 0.00 31.44 30.00 1jba n GLU 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jba n GLY 173 N -0.89 -0.30 0.00 8.31 0.00 -0.16 -4.29 105.19 107.86 1jba n GLY 173 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 174 N -0.87 3.18 0.01 4.61 0.00 0.30 -3.93 120.51 123.81 1jba n ALA 174 Ca 0.04 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1jba n ALA 174 Cb 0.28 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.22 1jba n ALA 174 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jba h ARG 175 N 0.00 0.14 0.09 0.00 2.43 -1.27 -3.38 114.38 112.39 1jba h ARG 175 Ca 0.00 -0.25 -0.33 0.00 -0.81 0.00 0.00 59.98 58.59 1jba h ARG 175 Cb 0.29 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1jba h ARG 175 CO 0.00 0.88 -1.84 -0.09 -1.51 0.00 0.00 179.97 177.41 1jba h ARG 176 N 0.04 0.19 -7.52 0.20 9.65 -1.80 -3.47 114.38 111.66 1jba h ARG 176 Ca -0.31 -0.32 -0.45 0.00 -1.10 0.00 0.00 59.98 57.79 1jba h ARG 176 Cb 2.01 0.12 0.14 0.00 -1.39 0.00 0.00 29.97 30.85 1jba h ARG 176 CO 0.10 0.98 0.30 0.34 2.80 0.00 0.00 179.97 184.50 1jba s ASP 177 N -6.75 3.25 0.00 -3.80 2.15 -1.25 -5.00 116.67 105.27 1jba s ASP 177 Ca -0.15 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.69 1jba s ASP 177 Cb 0.07 -1.35 0.00 0.00 -0.30 0.00 0.00 42.92 41.34 1jba s ASP 177 CO 0.80 -2.70 0.32 2.29 -0.17 0.00 0.00 175.17 175.71 1jba n LYS 178 N -3.85 0.00 -0.07 4.34 2.85 -1.26 -4.81 118.16 115.36 1jba n LYS 178 Ca 0.08 -0.32 -0.14 0.00 -1.05 0.00 0.00 58.31 56.88 1jba n LYS 178 Cb 0.59 -0.46 -0.05 0.00 -0.65 0.00 0.00 35.03 34.47 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 1jba n TRP 179 N 0.00 0.00 -0.15 5.58 -0.00 -1.26 -4.46 117.44 117.15 1jba n TRP 179 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 1jba n TRP 179 Cb 0.42 -0.50 -0.00 0.00 -0.00 0.00 0.00 31.31 31.23 1jba n TRP 179 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.69 177.45 1jba h VAL 180 N -0.55 1.22 0.00 5.87 3.04 -1.91 -2.72 116.25 121.19 1jba h VAL 180 Ca -0.32 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1jba h VAL 180 Cb 1.19 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1jba h VAL 180 CO -0.19 0.26 0.00 0.80 -1.01 0.00 0.00 177.57 177.43 1jba n MET 181 N -4.57 0.00 -0.30 4.17 0.00 -1.26 -1.36 117.12 113.80 1jba n MET 181 Ca 0.00 0.63 0.10 0.00 -0.00 0.00 0.00 57.70 58.43 1jba n MET 181 Cb 0.19 -1.44 0.22 0.00 0.00 0.00 0.00 33.22 32.19 1jba n MET 181 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1jba h LYS 182 N 0.00 0.07 0.00 2.12 3.64 -1.78 1.15 116.57 121.77 1jba h LYS 182 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jba h LYS 182 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1jba h LYS 182 CO 0.00 0.05 0.00 -1.33 -2.27 0.00 0.00 179.45 175.90 1jba n MET 183 N -5.41 0.00 0.29 1.90 2.81 -1.01 -2.02 117.12 113.68 1jba n MET 183 Ca 0.18 0.66 0.19 0.00 -1.81 0.00 0.00 57.70 56.93 1jba n MET 183 Cb 0.61 -1.50 0.85 0.00 -0.71 0.00 0.00 33.22 32.47 1jba n MET 183 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 1jba h LEU 184 N 0.00 0.00 0.00 4.03 8.10 -0.66 -3.32 115.31 123.45 1jba h LEU 184 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jba h LEU 184 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1jba h LEU 184 CO 0.00 0.00 0.00 1.67 -4.11 0.00 0.00 178.44 176.00 1jba n GLN 185 N -3.04 0.00 0.00 0.17 7.27 0.39 -5.06 117.38 117.10 1jba n GLN 185 Ca -0.00 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1jba n GLN 185 Cb 0.23 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 31.99 1jba n GLN 185 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jba n MET 186 N -0.64 0.00 0.00 3.69 0.00 -0.85 -5.06 117.12 114.26 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jba n MET 186 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1jba n ASP 187 N 0.00 0.00 0.03 3.17 2.03 -1.26 -4.64 116.55 115.88 1jba n ASP 187 Ca 0.00 -0.06 -0.01 0.00 0.52 0.00 0.00 54.79 55.24 1jba n ASP 187 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1jba n ASP 187 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1jba h LEU 188 N 0.00 -0.07 0.00 -2.67 -0.00 -1.98 -3.49 115.31 107.10 1jba h LEU 188 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1jba h LEU 188 Cb 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1jba h LEU 188 CO 0.00 -0.01 0.00 -3.20 -0.00 0.00 0.00 178.44 175.23 1jba n ASN 189 N -2.45 0.00 0.00 -0.43 2.85 -1.26 -5.30 115.26 108.67 1jba n ASN 189 Ca -0.01 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.47 1jba n ASN 189 Cb 0.03 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.14 1jba n ASN 189 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50