#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba n GLN 3 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.92 117.38 118.83 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jba n GLN 3 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1jba n GLN 3 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jba n GLN 4 N -0.34 0.00 0.00 -1.09 1.13 -1.26 -5.10 117.38 110.71 1jba n GLN 4 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1jba n GLN 4 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1jba n PHE 5 N 0.00 -0.69 -4.93 1.08 3.72 -1.26 -4.89 117.46 110.48 1jba n PHE 5 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jba n PHE 5 Cb 0.00 0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1jba n PHE 5 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jba n SER 6 N -3.35 -1.12 -4.58 4.37 3.41 -1.26 -4.32 113.62 106.78 1jba n SER 6 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1jba n SER 6 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1jba n SER 6 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1jba s TRP 7 N 0.00 2.63 0.05 7.33 0.51 -1.26 -4.87 118.94 123.33 1jba s TRP 7 Ca 0.00 0.44 -0.22 0.00 -2.12 0.00 0.00 56.10 54.20 1jba s TRP 7 Cb 0.00 -4.50 -0.13 0.00 -0.81 0.00 0.00 33.47 28.02 1jba s TRP 7 CO 0.00 -1.55 1.49 0.93 -0.51 0.00 0.00 176.95 177.30 1jba h GLU 8 N 9.51 0.21 0.00 4.98 5.08 -1.97 -2.64 114.58 129.75 1jba h GLU 8 Ca -0.25 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1jba h GLU 8 Cb 1.06 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1jba h GLU 8 CO 1.18 0.44 -0.01 0.93 -1.00 0.00 0.00 179.01 180.55 1jba h GLU 9 N -0.05 -0.02 -1.17 2.33 5.08 -1.94 0.65 114.58 119.46 1jba h GLU 9 Ca 0.03 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.77 1jba h GLU 9 Cb 0.35 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.47 1jba h GLU 9 CO 0.01 -0.01 0.73 0.00 -1.00 0.00 0.00 179.01 178.74 1jba h ALA 10 N -1.47 2.43 -0.09 3.43 0.00 -1.91 0.68 119.26 122.32 1jba h ALA 10 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1jba h ALA 10 Cb 0.02 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jba h ALA 10 CO -0.01 -1.03 -0.12 1.49 0.00 0.00 0.00 179.25 179.58 1jba h GLU 11 N 0.19 0.25 -0.71 0.00 4.22 -0.76 -3.02 114.58 114.75 1jba h GLU 11 Ca 0.76 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 60.06 1jba h GLU 11 Cb 2.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1jba h GLU 11 CO -0.46 0.70 0.00 0.39 -2.18 0.00 0.00 179.01 177.46 1jba n GLU 12 N -4.62 2.61 -4.46 1.92 1.02 0.21 -4.87 120.64 112.45 1jba n GLU 12 Ca -0.07 -1.42 -0.27 0.00 -0.02 0.00 0.00 57.16 55.39 1jba n GLU 12 Cb 0.35 -1.74 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 1jba n GLU 12 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1jba s ASN 13 N -0.49 4.04 0.00 1.62 0.02 0.20 -4.99 114.94 115.34 1jba s ASN 13 Ca 0.25 -1.24 0.05 0.00 -1.02 0.00 0.00 52.86 50.89 1jba s ASN 13 Cb 0.18 -0.43 -0.01 0.00 0.02 0.00 0.00 41.25 41.01 1jba s ASN 13 CO 0.09 -0.43 -0.14 -0.83 0.02 0.00 0.00 177.10 175.80 1jba s GLY 14 N -3.75 0.73 -1.72 0.66 0.00 -1.26 -4.77 107.32 97.20 1jba s GLY 14 Ca 0.36 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 44.24 1jba s GLY 14 CO 0.19 -0.59 0.68 0.00 0.00 0.00 0.00 173.10 173.38 1jba n ALA 15 N 2.52 -1.34 -1.11 3.20 0.00 -1.26 -4.82 120.51 117.70 1jba n ALA 15 Ca -0.15 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 1jba n ALA 15 Cb 0.55 -2.99 0.07 0.00 0.00 0.00 0.00 19.45 17.09 1jba n ALA 15 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1jba n VAL 16 N -4.32 0.96 0.00 0.00 3.14 -1.26 -4.93 118.33 111.92 1jba n VAL 16 Ca 0.04 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1jba n VAL 16 Cb 0.51 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jba n GLY 17 N 1.92 -1.13 0.00 7.55 0.00 -1.26 -5.10 105.19 107.17 1jba n GLY 17 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.00 0.97 4.61 0.00 -1.26 -4.98 120.51 119.85 1jba n ALA 18 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1jba n ALA 18 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.00 2.14 -1.00 0.00 0.00 -1.26 -3.75 120.51 113.64 1jba n ALA 19 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1jba n ALA 19 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1jba n ALA 19 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jba n ASP 20 N -1.39 0.00 -0.26 0.00 5.68 -1.26 -2.50 116.55 116.82 1jba n ASP 20 Ca 0.09 0.00 0.24 0.00 -0.50 0.00 0.00 54.79 54.62 1jba n ASP 20 Cb 0.23 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.65 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jba n ALA 21 N -2.97 0.77 -0.21 2.12 0.00 -1.26 0.16 120.51 119.13 1jba n ALA 21 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 53.44 54.28 1jba n ALA 21 Cb 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 1.61 0.66 -0.02 0.00 0.00 -1.65 0.17 119.26 120.04 1jba h ALA 22 Ca 0.66 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.63 1jba h ALA 22 Cb 1.69 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1jba h ALA 22 CO -0.64 -0.37 -0.50 1.96 0.00 0.00 0.00 179.25 179.69 1jba h GLN 23 N 0.16 0.05 -0.03 0.00 1.08 0.19 -2.81 115.11 113.76 1jba h GLN 23 Ca 0.33 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1jba h GLN 23 Cb 0.53 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1jba h GLN 23 CO -0.50 0.54 -0.01 -0.07 -0.95 0.00 0.00 178.83 177.85 1jba h LEU 24 N 0.04 0.05 -0.01 1.46 -0.00 -0.41 -2.67 115.31 113.77 1jba h LEU 24 Ca -0.00 -0.37 0.02 0.00 -0.00 0.00 0.00 57.88 57.52 1jba h LEU 24 Cb 0.90 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.53 1jba h LEU 24 CO 0.07 0.41 -0.08 -0.61 -0.00 0.00 0.00 178.44 178.23 1jba h GLN 25 N -0.31 -0.13 -0.66 1.13 4.15 -0.93 0.29 115.11 118.65 1jba h GLN 25 Ca 0.01 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.57 1jba h GLN 25 Cb 0.39 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.01 1jba h GLN 25 CO 0.00 -0.08 0.13 0.93 -1.93 0.00 0.00 178.83 177.88 1jba h GLU 26 N -0.13 0.24 -0.05 1.69 5.08 -1.52 -1.39 114.58 118.50 1jba h GLU 26 Ca 0.03 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1jba h GLU 26 Cb 0.17 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jba h GLU 26 CO -0.09 0.16 -0.81 -1.49 -1.00 0.00 0.00 179.01 175.79 1jba h TRP 27 N 0.25 0.57 -0.84 4.33 6.55 -1.10 -2.32 115.95 123.39 1jba h TRP 27 Ca 0.36 -0.27 0.05 0.00 0.95 0.00 0.00 58.89 59.97 1jba h TRP 27 Cb 0.56 -0.08 -0.06 0.00 -0.86 0.00 0.00 29.16 28.73 1jba h TRP 27 CO -0.27 1.06 0.52 -0.92 -1.05 0.00 0.00 178.44 177.78 1jba h TYR 28 N 0.26 0.97 0.00 0.49 3.20 0.61 -2.44 116.97 120.06 1jba h TYR 28 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1jba h TYR 28 Cb 1.41 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1jba h TYR 28 CO 0.05 0.52 -0.06 0.87 -1.64 0.00 0.00 178.16 177.91 1jba h LYS 29 N 0.98 0.00 -1.42 1.82 1.79 -1.39 -2.78 116.57 115.57 1jba h LYS 29 Ca 0.35 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 59.23 1jba h LYS 29 Cb 0.10 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 1jba h LYS 29 CO -0.15 0.00 1.13 1.17 -1.08 0.00 0.00 179.45 180.52 1jba n LYS 30 N -3.64 0.00 -0.03 3.15 4.81 -0.88 0.28 118.16 121.86 1jba n LYS 30 Ca -0.01 0.88 -0.22 0.00 -0.87 0.00 0.00 58.31 58.10 1jba n LYS 30 Cb 0.03 -2.08 -0.13 0.00 0.02 0.00 0.00 35.03 32.87 1jba n LYS 30 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1jba h PHE 31 N 0.00 0.31 -0.00 5.64 3.57 -1.55 -3.38 116.94 121.53 1jba h PHE 31 Ca 0.67 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1jba h PHE 31 Cb 2.93 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 41.66 1jba h PHE 31 CO 0.00 1.64 -0.43 1.28 -2.23 0.00 0.00 178.31 178.58 1jba n LEU 32 N -3.90 0.77 -0.36 0.59 4.77 0.26 -4.07 117.00 115.06 1jba n LEU 32 Ca -0.31 -0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 55.50 1jba n LEU 32 Cb 0.89 -0.18 0.10 0.00 -2.33 0.00 0.00 43.42 41.90 1jba n LEU 32 CO 0.34 0.16 1.25 -0.33 -1.33 0.00 0.00 177.39 177.48 1jba h GLU 33 N 0.54 1.29 -0.55 3.23 4.39 0.39 -2.11 114.58 121.75 1jba h GLU 33 Ca 0.00 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1jba h GLU 33 Cb 0.51 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1jba h GLU 33 CO 0.00 0.88 0.08 0.39 -1.16 0.00 0.00 179.01 179.20 1jba n GLU 34 N -4.37 4.08 -3.15 2.33 1.02 -1.26 -4.84 120.64 114.46 1jba n GLU 34 Ca 0.11 -3.09 0.05 0.00 -0.02 0.00 0.00 57.16 54.21 1jba n GLU 34 Cb 0.04 -2.16 -0.01 0.00 -0.02 0.00 0.00 31.44 29.29 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba s PRO 36 N 2.93 3.64 -0.64 0.00 0.02 -1.25 -1.53 135.00 138.17 1jba s PRO 36 Ca 0.12 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1jba s PRO 36 Cb -0.08 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.87 1jba s PRO 36 CO -0.17 -0.79 0.00 0.43 -0.33 0.00 0.00 177.00 176.13 1jba n SER 37 N -0.33 -1.97 -4.61 2.53 7.64 -1.26 -4.77 113.62 110.84 1jba n SER 37 Ca 0.06 0.22 -0.45 0.00 1.01 0.00 0.00 58.87 59.71 1jba n SER 37 Cb 0.44 -1.97 -0.02 0.00 -1.01 0.00 0.00 64.21 61.65 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 -0.30 0.02 3.28 0.23 0.00 -0.58 -4.99 105.19 102.84 1jba n GLY 38 Ca -0.07 0.37 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.86 1.32 -0.03 2.61 -4.23 -1.26 -4.89 115.64 108.30 1jba s THR 39 Ca 0.61 -2.10 -0.13 0.00 -1.18 0.00 0.00 61.69 58.88 1jba s THR 39 Cb -0.69 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 1jba s THR 39 CO 0.58 -0.70 0.36 -0.76 -0.54 0.00 0.00 174.62 173.57 1jba s LEU 40 N -3.21 4.45 0.09 4.79 1.43 -0.96 -4.97 118.68 120.30 1jba s LEU 40 Ca 0.19 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1jba s LEU 40 Cb 0.02 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1jba s LEU 40 CO 0.02 0.33 -0.04 0.12 0.23 0.00 0.00 176.35 177.01 1jba s PHE 41 N -0.99 0.83 0.18 0.29 5.36 -1.26 -2.62 117.98 119.76 1jba s PHE 41 Ca 0.22 -0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 55.16 1jba s PHE 41 Cb -0.16 -0.50 0.31 0.00 -0.34 0.00 0.00 43.02 42.33 1jba s PHE 41 CO 0.11 -0.24 0.99 -0.12 -1.46 0.00 0.00 175.22 174.51 1jba n MET 42 N -0.03 -0.06 0.02 10.12 0.00 -1.26 0.88 117.12 126.80 1jba n MET 42 Ca -0.12 0.99 -0.02 0.00 0.00 0.00 0.00 57.70 58.55 1jba n MET 42 Cb 0.61 -1.48 -0.01 0.00 0.00 0.00 0.00 33.22 32.34 1jba n MET 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1jba h HIS 43 N 0.00 -0.15 0.00 1.12 3.86 -2.00 -2.91 115.15 115.08 1jba h HIS 43 Ca 0.31 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1jba h HIS 43 Cb 0.49 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1jba h HIS 43 CO -0.47 -0.09 0.42 0.93 0.86 0.00 0.00 177.93 179.58 1jba h GLU 44 N -1.01 0.00 0.00 2.45 4.39 -1.57 -0.87 114.58 117.96 1jba h GLU 44 Ca -0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1jba h GLU 44 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1jba h GLU 44 CO 0.03 0.00 -0.33 0.35 -1.16 0.00 0.00 179.01 177.90 1jba h PHE 45 N 0.00 0.00 -0.16 4.33 3.57 0.46 -2.81 116.94 122.33 1jba h PHE 45 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1jba h PHE 45 Cb 0.85 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1jba h PHE 45 CO 0.00 0.59 0.19 1.57 -2.23 0.00 0.00 178.31 178.43 1jba h LYS 46 N -1.00 0.00 0.24 1.11 2.10 -1.00 -2.09 116.57 115.93 1jba h LYS 46 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1jba h LYS 46 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1jba h LYS 46 CO -0.04 0.00 -0.11 -0.09 -2.00 0.00 0.00 179.45 177.21 1jba h ARG 47 N 0.00 -0.31 -0.79 0.07 2.43 -1.34 0.14 114.38 114.58 1jba h ARG 47 Ca 0.08 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 1jba h ARG 47 Cb 0.46 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 29.94 1jba h ARG 47 CO -0.00 -0.20 -0.36 0.35 -1.51 0.00 0.00 179.97 178.24 1jba h PHE 48 N -0.92 -1.02 0.00 2.20 3.57 -1.19 1.60 116.94 121.18 1jba h PHE 48 Ca -0.03 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1jba h PHE 48 Cb 0.24 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1jba h PHE 48 CO 0.01 -0.39 0.00 0.34 -2.23 0.00 0.00 178.31 176.04 1jba n PHE 49 N -5.45 0.00 -3.66 0.41 -0.00 -0.82 -4.27 117.46 103.67 1jba n PHE 49 Ca 0.07 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.16 1jba n PHE 49 Cb 0.38 -0.49 -0.07 0.00 -0.00 0.00 0.00 39.48 39.29 1jba n PHE 49 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1jba s LYS 50 N -2.65 3.15 0.37 -4.13 -0.14 0.48 -4.89 119.74 111.94 1jba s LYS 50 Ca 0.00 -3.19 0.18 0.00 -1.36 0.00 0.00 55.97 51.60 1jba s LYS 50 Cb 0.00 -3.91 0.65 0.00 -1.68 0.00 0.00 37.83 32.89 1jba s LYS 50 CO 0.00 -1.26 1.72 -0.24 -0.76 0.00 0.00 175.35 174.82 1jba h VAL 51 N 4.23 0.92 -0.11 3.17 3.04 0.22 -3.37 116.25 124.36 1jba h VAL 51 Ca 0.14 -1.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 1jba h VAL 51 Cb 0.83 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1jba h VAL 51 CO 0.83 0.39 0.00 -0.81 -1.01 0.00 0.00 177.57 176.97 1jba n PRO 52 N -3.55 2.37 -4.24 4.17 -0.05 -1.26 -4.97 135.00 127.47 1jba n PRO 52 Ca -0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 63.50 63.10 1jba n PRO 52 Cb 0.52 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.88 1jba n PRO 52 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 175.50 175.61 1jba s ASP 53 N -1.34 5.45 0.00 3.54 1.47 -1.26 -4.93 116.67 119.60 1jba s ASP 53 Ca 0.00 0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.89 1jba s ASP 53 Cb 0.00 -1.56 0.00 0.00 -0.34 0.00 0.00 42.92 41.02 1jba s ASP 53 CO 0.00 0.35 0.00 -0.46 0.68 0.00 0.00 175.17 175.74 1jba n ASN 54 N 1.81 0.00 0.00 2.11 6.94 -1.26 -5.05 115.26 119.80 1jba n ASN 54 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 1jba n ASN 54 Cb 0.53 0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1jba n ASN 54 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1jba n GLU 55 N -1.63 0.00 -0.04 -3.83 2.13 -1.26 -3.56 120.64 112.45 1jba n GLU 55 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1jba n GLU 55 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jba h GLU 56 N 0.00 -0.05 -1.75 5.31 5.08 -2.01 0.13 114.58 121.30 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 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jba h GLU 56 CO 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1jba n ALA 57 N -2.86 2.21 -0.10 3.43 0.00 -1.23 -3.30 120.51 118.65 1jba n ALA 57 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1jba n ALA 57 Cb 0.06 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 1jba n ALA 57 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jba n THR 58 N 1.20 1.49 -0.11 0.00 5.66 0.46 -4.36 114.28 118.61 1jba n THR 58 Ca 0.00 -0.70 -0.06 0.00 -3.05 0.00 0.00 64.05 60.24 1jba n THR 58 Cb 0.22 -1.07 0.02 0.00 -1.55 0.00 0.00 70.33 67.94 1jba n THR 58 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1jba h GLN 59 N 0.01 0.30 -1.04 1.09 4.20 -1.71 -0.82 115.11 117.13 1jba h GLN 59 Ca -0.53 -0.02 0.26 0.00 0.06 0.00 0.00 58.65 58.42 1jba h GLN 59 Cb 2.05 -0.07 -0.10 0.00 0.30 0.00 0.00 27.48 29.66 1jba h GLN 59 CO -0.02 0.20 0.65 -0.92 -0.67 0.00 0.00 178.83 178.07 1jba h TYR 60 N 0.31 0.74 -0.12 2.96 3.20 -1.83 0.51 116.97 122.74 1jba h TYR 60 Ca 0.17 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.89 1jba h TYR 60 Cb 0.14 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1jba h TYR 60 CO -0.14 0.06 -0.66 0.28 -1.64 0.00 0.00 178.16 176.06 1jba h VAL 61 N 0.44 1.35 -0.50 1.81 2.07 -1.37 -2.75 116.25 117.29 1jba h VAL 61 Ca 0.61 -1.99 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1jba h VAL 61 Cb 1.45 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 1jba h VAL 61 CO -0.34 0.61 0.26 -0.08 0.02 0.00 0.00 177.57 178.04 1jba h GLU 62 N 0.34 0.50 -0.35 1.57 4.57 0.71 -2.13 114.58 119.79 1jba h GLU 62 Ca -0.02 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1jba h GLU 62 Cb 1.22 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 1jba h GLU 62 CO 0.12 0.33 0.16 0.00 -1.18 0.00 0.00 179.01 178.44 1jba h ALA 63 N 1.26 0.45 -0.75 2.92 0.00 -1.34 -2.62 119.26 119.18 1jba h ALA 63 Ca 0.22 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.18 1jba h ALA 63 Cb 0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.63 1jba h ALA 63 CO -0.14 0.03 0.01 1.98 0.00 0.00 0.00 179.25 181.13 1jba h MET 64 N 0.42 0.10 0.15 0.00 1.85 -1.10 0.62 114.93 116.98 1jba h MET 64 Ca 0.12 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.21 1jba h MET 64 Cb 0.14 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 1jba h MET 64 CO -0.01 0.07 -0.21 0.35 -0.40 0.00 0.00 176.91 176.71 1jba h PHE 65 N 0.11 -0.55 -0.68 1.39 3.57 -1.07 -0.71 116.94 118.99 1jba h PHE 65 Ca 0.41 0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.06 1jba h PHE 65 Cb 0.73 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.59 1jba h PHE 65 CO -0.42 -0.31 0.13 -0.09 -2.23 0.00 0.00 178.31 175.40 1jba h ARG 66 N -0.42 0.23 -0.91 1.11 9.65 -0.71 0.64 114.38 123.98 1jba h ARG 66 Ca 0.01 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1jba h ARG 66 Cb 0.42 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1jba h ARG 66 CO -0.09 0.15 0.50 0.00 2.80 0.00 0.00 179.97 183.34 1jba h ALA 67 N 1.57 1.16 -0.43 2.80 0.00 -0.51 0.28 119.26 124.13 1jba h ALA 67 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jba h ALA 67 Cb 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jba h ALA 67 CO -0.49 0.67 0.00 1.19 0.00 0.00 0.00 179.25 180.62 1jba n PHE 68 N -4.33 0.57 -1.07 0.00 3.72 -0.01 -3.77 117.46 112.56 1jba n PHE 68 Ca 0.10 -0.28 0.01 0.00 -0.05 0.00 0.00 57.45 57.23 1jba n PHE 68 Cb 0.10 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jba n ASP 69 N 0.85 0.65 -0.33 4.37 2.03 0.20 -4.83 116.55 119.49 1jba n ASP 69 Ca 0.16 -1.69 0.19 0.00 0.52 0.00 0.00 54.79 53.97 1jba n ASP 69 Cb 0.40 -0.10 0.43 0.00 -0.72 0.00 0.00 41.12 41.13 1jba n ASP 69 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1jba h THR 70 N 3.11 0.58 0.00 5.18 2.02 -0.57 0.35 112.91 123.58 1jba h THR 70 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1jba h THR 70 Cb 1.01 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1jba h THR 70 CO 0.00 0.10 0.22 -0.46 0.37 0.00 0.00 175.52 175.75 1jba n ASN 71 N -4.73 0.00 -0.67 4.18 0.23 -1.26 -4.67 115.26 108.34 1jba n ASN 71 Ca 0.25 0.22 -0.06 0.00 -0.53 0.00 0.00 54.58 54.45 1jba n ASN 71 Cb 0.76 -0.22 -0.01 0.00 -2.08 0.00 0.00 39.78 38.23 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 72 N -1.18 0.31 0.08 4.83 0.00 0.12 -4.89 105.19 104.45 1jba n GLY 72 Ca 0.00 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1jba n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jba n ASP 73 N 0.82 0.48 0.00 1.61 8.00 -1.24 -4.83 116.55 121.39 1jba n ASP 73 Ca -0.07 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1jba n ASP 73 Cb 0.46 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1jba n ASN 74 N -1.99 0.00 -3.90 -2.24 4.05 -1.26 -4.82 115.26 105.10 1jba n ASN 74 Ca 0.04 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 54.98 1jba n ASN 74 Cb 0.29 -0.52 -0.08 0.00 1.23 0.00 0.00 39.78 40.71 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1jba s THR 75 N -0.70 0.14 -0.06 -0.44 -1.32 -1.26 -4.69 115.64 107.31 1jba s THR 75 Ca 0.00 -1.28 0.05 0.00 -1.21 0.00 0.00 61.69 59.25 1jba s THR 75 Cb 0.00 -1.41 -0.01 0.00 -1.51 0.00 0.00 72.50 69.57 1jba s THR 75 CO 0.00 -0.66 -0.22 -0.63 -2.21 0.00 0.00 174.62 170.91 1jba s ILE 76 N -3.88 1.80 0.26 5.08 1.01 -1.08 -4.99 121.20 119.40 1jba s ILE 76 Ca 0.07 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1jba s ILE 76 Cb 0.05 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1jba s ILE 76 CO -0.10 0.50 0.34 -1.81 0.00 0.00 0.00 174.94 173.87 1jba s ASP 77 N 0.03 6.06 0.26 3.58 1.11 -1.26 -2.26 116.67 124.20 1jba s ASP 77 Ca -0.07 -0.06 0.16 0.00 0.18 0.00 0.00 52.55 52.76 1jba s ASP 77 Cb -0.14 -1.64 0.95 0.00 1.07 0.00 0.00 42.92 43.16 1jba s ASP 77 CO 0.04 -0.12 1.09 0.33 1.18 0.00 0.00 175.17 177.68 1jba n PHE 78 N -1.39 0.75 0.00 4.23 7.35 -1.26 -0.77 117.46 126.37 1jba n PHE 78 Ca -0.07 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 1jba n PHE 78 Cb 0.57 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 39.23 1jba n PHE 78 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1jba n LEU 79 N -4.47 0.13 -0.32 -2.13 7.99 -1.26 -1.75 117.00 115.20 1jba n LEU 79 Ca 0.27 0.64 0.11 0.00 -0.01 0.00 0.00 56.01 57.01 1jba n LEU 79 Cb 0.93 -0.47 0.23 0.00 -0.11 0.00 0.00 43.42 44.00 1jba n LEU 79 CO 0.03 -0.47 0.80 -0.08 -1.51 0.00 0.00 177.39 176.16 1jba h GLU 80 N 0.00 0.05 0.11 3.23 4.81 -1.70 0.38 114.58 121.45 1jba h GLU 80 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1jba h GLU 80 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1jba h GLU 80 CO 0.00 0.03 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.32 1jba h TYR 81 N 0.05 -0.20 -0.98 0.92 3.20 -1.06 -2.54 116.97 116.36 1jba h TYR 81 Ca 0.53 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.64 1jba h TYR 81 Cb 1.01 0.07 -0.13 0.00 1.54 0.00 0.00 36.73 39.23 1jba h TYR 81 CO -0.49 -0.11 0.54 0.28 -1.64 0.00 0.00 178.16 176.74 1jba h VAL 82 N -0.17 0.49 -0.96 1.81 2.07 -0.47 0.67 116.25 119.68 1jba h VAL 82 Ca -0.01 -0.17 0.23 0.00 0.82 0.00 0.00 66.70 67.56 1jba h VAL 82 Cb 0.14 -0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 29.74 1jba h VAL 82 CO 0.01 0.09 0.53 0.00 0.02 0.00 0.00 177.57 178.22 1jba h ALA 83 N 1.74 1.65 -0.47 1.67 0.00 0.07 0.30 119.26 124.21 1jba h ALA 83 Ca 0.64 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.63 1jba h ALA 83 Cb 1.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1jba h ALA 83 CO -0.51 -0.25 0.13 0.00 0.00 0.00 0.00 179.25 178.61 1jba h ALA 84 N 1.70 0.62 0.01 0.00 0.00 0.75 -2.56 119.26 119.79 1jba h ALA 84 Ca 0.60 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1jba h ALA 84 Cb 1.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jba h ALA 84 CO -0.47 0.30 -0.02 -0.07 0.00 0.00 0.00 179.25 178.99 1jba h LEU 85 N 0.64 -0.05 -1.29 0.00 3.38 -0.18 0.96 115.31 118.77 1jba h LEU 85 Ca 0.15 0.00 0.44 0.00 0.09 0.00 0.00 57.88 58.56 1jba h LEU 85 Cb 0.31 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 1jba h LEU 85 CO -0.00 -0.02 0.78 -1.13 0.09 0.00 0.00 178.44 178.15 1jba h ASN 86 N -0.03 0.27 0.19 -0.43 -0.00 -1.44 0.20 115.58 114.33 1jba h ASN 86 Ca -0.00 0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.46 1jba h ASN 86 Cb 0.03 0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1jba h ASN 86 CO -0.00 -0.25 -0.09 0.25 -0.00 0.00 0.00 177.43 177.33 1jba h LEU 87 N 0.07 -0.21 0.00 0.34 5.85 -0.91 -3.04 115.31 117.41 1jba h LEU 87 Ca 0.84 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.56 1jba h LEU 87 Cb 2.51 0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.60 1jba h LEU 87 CO -0.52 0.21 0.00 0.52 -0.34 0.00 0.00 178.44 178.32 1jba n VAL 88 N -4.71 0.00 0.00 1.05 0.31 0.33 -4.34 118.33 110.96 1jba n VAL 88 Ca -0.03 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.60 1jba n VAL 88 Cb 0.10 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 1jba n VAL 88 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1jba n LEU 89 N -1.43 0.00 0.00 7.52 4.32 0.55 -4.74 117.00 123.23 1jba n LEU 89 Ca 0.00 0.05 -0.13 0.00 -0.02 0.00 0.00 56.01 55.91 1jba n LEU 89 Cb 0.00 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.91 1jba n LEU 89 CO 0.00 0.00 0.24 -1.14 -1.22 0.00 0.00 177.39 175.27 1jba n ARG 90 N -0.07 -2.13 -3.61 3.23 0.63 -1.19 -5.01 116.66 108.51 1jba n ARG 90 Ca 0.00 -0.71 -0.05 0.00 -0.92 0.00 0.00 57.85 56.17 1jba n ARG 90 Cb 0.00 -0.70 -0.04 0.00 0.45 0.00 0.00 32.46 32.17 1jba n ARG 90 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1jba s GLY 91 N -3.18 -0.15 0.00 5.14 0.00 -1.15 -4.12 107.32 103.86 1jba s GLY 91 Ca 0.29 2.17 0.00 0.00 0.00 0.00 0.00 44.72 47.18 1jba s GLY 91 CO 0.23 0.88 0.00 2.41 0.00 0.00 0.00 173.10 176.62 1jba n THR 92 N 0.36 0.00 -3.24 0.90 -1.04 -1.26 -5.10 114.28 104.90 1jba n THR 92 Ca -0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.59 1jba n THR 92 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.04 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 -3.32 4.42 0.00 -4.42 2.01 -1.26 -4.90 118.68 111.20 1jba s LEU 93 Ca 0.00 1.13 0.00 0.00 0.01 0.00 0.00 54.13 55.27 1jba s LEU 93 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 46.19 43.32 1jba s LEU 93 CO 0.00 0.12 0.88 -1.84 1.01 0.00 0.00 176.35 176.51 1jba n GLU 94 N 2.68 0.00 -0.25 1.70 0.28 -1.26 -2.95 120.64 120.84 1jba n GLU 94 Ca -0.08 0.38 0.28 0.00 -0.16 0.00 0.00 57.16 57.58 1jba n GLU 94 Cb 0.51 -1.57 0.43 0.00 1.43 0.00 0.00 31.44 32.24 1jba n GLU 94 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1jba n HIS 95 N -1.38 0.00 -0.57 -1.84 -0.00 -1.26 -0.69 115.22 109.48 1jba n HIS 95 Ca 0.00 0.00 0.47 0.00 0.46 0.00 0.00 57.72 58.65 1jba n HIS 95 Cb 0.07 -0.26 0.78 0.00 -0.12 0.00 0.00 29.99 30.46 1jba n HIS 95 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1jba h LYS 96 N 0.00 0.00 0.00 1.57 1.57 -1.92 -1.59 116.57 116.20 1jba h LYS 96 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1jba h LYS 96 Cb 2.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.00 1jba h LYS 96 CO -0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 1jba n LEU 97 N -3.92 0.05 -0.32 2.94 4.77 0.13 -2.40 117.00 118.26 1jba n LEU 97 Ca 0.38 0.79 0.18 0.00 -0.03 0.00 0.00 56.01 57.33 1jba n LEU 97 Cb 1.79 -0.48 0.37 0.00 -2.33 0.00 0.00 43.42 42.78 1jba n LEU 97 CO 0.42 -0.48 0.93 0.11 -1.33 0.00 0.00 177.39 177.04 1jba h LYS 98 N 0.00 0.10 0.32 3.23 1.57 -1.55 -0.89 116.57 119.35 1jba h LYS 98 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jba h LYS 98 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1jba h LYS 98 CO 0.00 0.06 -0.36 2.35 -0.57 0.00 0.00 179.45 180.93 1jba h TRP 99 N 0.10 -1.02 -0.78 -1.35 7.01 -1.46 -1.69 115.95 116.76 1jba h TRP 99 Ca 0.65 0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.84 1jba h TRP 99 Cb 1.44 0.40 -0.13 0.00 -2.10 0.00 0.00 29.16 28.77 1jba h TRP 99 CO -0.28 -0.47 0.11 0.00 -2.79 0.00 0.00 178.44 175.01 1jba h THR 100 N -0.70 0.37 -0.42 2.65 1.03 -0.82 1.89 112.91 116.92 1jba h THR 100 Ca -0.04 -0.06 0.12 0.00 -0.01 0.00 0.00 66.41 66.42 1jba h THR 100 Cb 0.61 0.19 -0.02 0.00 -1.07 0.00 0.00 68.15 67.87 1jba h THR 100 CO -0.07 0.03 0.39 0.15 -0.01 0.00 0.00 175.52 176.01 1jba h PHE 101 N 0.17 0.00 -0.04 0.00 3.04 -0.83 0.69 116.94 119.97 1jba h PHE 101 Ca 0.45 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.30 1jba h PHE 101 Cb 0.82 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.34 1jba h PHE 101 CO -0.34 0.00 -0.35 -0.22 -2.02 0.00 0.00 178.31 175.38 1jba h LYS 102 N 0.00 0.31 -0.84 1.11 3.64 0.38 -3.04 116.57 118.13 1jba h LYS 102 Ca 0.20 -0.28 0.21 0.00 -1.27 0.00 0.00 60.65 59.51 1jba h LYS 102 Cb 0.97 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.72 1jba h LYS 102 CO -0.00 0.95 0.13 0.82 -2.27 0.00 0.00 179.45 179.07 1jba h ILE 103 N -0.23 0.30 0.00 2.00 1.08 -0.17 1.91 117.51 122.39 1jba h ILE 103 Ca -0.03 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 1jba h ILE 103 Cb 1.04 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1jba h ILE 103 CO 0.07 0.03 -0.14 1.88 -0.69 0.00 0.00 178.15 179.30 1jba h TYR 104 N 0.15 0.00 -0.27 1.37 0.05 -1.52 -3.40 116.97 113.36 1jba h TYR 104 Ca 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.27 1jba h TYR 104 Cb 0.97 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1jba h TYR 104 CO -0.35 0.14 0.08 -3.47 -1.05 0.00 0.00 178.16 173.51 1jba n ASP 105 N -3.54 1.56 -0.08 3.88 2.03 0.65 -4.68 116.55 116.38 1jba n ASP 105 Ca -0.01 -1.69 -0.10 0.00 0.52 0.00 0.00 54.79 53.50 1jba n ASP 105 Cb 0.29 -1.64 -0.06 0.00 -0.72 0.00 0.00 41.12 38.99 1jba n ASP 105 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1jba h LYS 106 N 12.38 0.00 -0.91 -0.67 3.64 -1.81 -3.35 116.57 125.85 1jba h LYS 106 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1jba h LYS 106 Cb 1.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1jba h LYS 106 CO 1.02 0.46 0.04 -0.40 -2.27 0.00 0.00 179.45 178.30 1jba n ASP 107 N -4.60 2.55 -2.48 4.20 5.75 -1.26 -4.93 116.55 115.77 1jba n ASP 107 Ca -0.13 -2.31 -0.22 0.00 -0.01 0.00 0.00 54.79 52.12 1jba n ASP 107 Cb 0.36 -0.56 0.02 0.00 -1.03 0.00 0.00 41.12 39.91 1jba n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1jba n ARG 108 N 0.15 -1.07 0.00 0.11 1.85 -1.26 -4.86 116.66 111.58 1jba n ARG 108 Ca 0.10 0.77 0.00 0.00 -1.00 0.00 0.00 57.85 57.72 1jba n ARG 108 Cb 0.59 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1jba n ASN 109 N 0.21 0.96 0.00 2.89 6.94 -1.26 -5.01 115.26 119.98 1jba n ASN 109 Ca -0.06 -0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.37 1jba n ASN 109 Cb 0.39 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 38.25 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 110 N 0.73 0.71 3.14 4.83 0.00 -1.26 -5.07 105.19 108.27 1jba n GLY 110 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.68 5.22 0.15 0.00 1.01 -1.08 -4.88 121.20 119.95 1jba s ILE 112 Ca -0.12 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1jba s ILE 112 Cb -0.06 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1jba s ILE 112 CO 0.01 0.28 -0.08 -0.62 0.00 0.00 0.00 174.94 174.52 1jba s ASP 113 N -2.03 1.69 0.46 3.58 2.15 -1.26 -2.63 116.67 118.63 1jba s ASP 113 Ca 0.28 -1.04 0.21 0.00 0.43 0.00 0.00 52.55 52.43 1jba s ASP 113 Cb -0.13 0.01 1.15 0.00 -0.30 0.00 0.00 42.92 43.65 1jba s ASP 113 CO 0.20 -0.37 1.60 0.03 -0.17 0.00 0.00 175.17 176.45 1jba h ARG 114 N 2.77 0.00 0.00 4.34 3.08 -1.94 -1.52 114.38 121.11 1jba h ARG 114 Ca -0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1jba h ARG 114 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1jba h ARG 114 CO 0.64 0.00 -0.34 0.37 -1.07 0.00 0.00 179.97 179.57 1jba h GLN 115 N 0.00 0.00 -0.93 0.04 5.75 -1.99 -2.59 115.11 115.40 1jba h GLN 115 Ca 0.00 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.70 1jba h GLN 115 Cb 0.55 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.98 1jba h GLN 115 CO 0.00 0.72 0.49 0.93 -2.65 0.00 0.00 178.83 178.31 1jba h GLU 116 N -1.00 0.56 -0.01 1.69 5.08 -1.61 -1.24 114.58 118.05 1jba h GLU 116 Ca -0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1jba h GLU 116 Cb 0.83 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jba h GLU 116 CO -0.05 0.37 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.25 1jba h LEU 117 N 0.57 0.02 -1.95 1.33 3.38 -1.59 -2.46 115.31 114.61 1jba h LEU 117 Ca 0.55 -0.52 0.55 0.00 0.09 0.00 0.00 57.88 58.55 1jba h LEU 117 Cb 0.95 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 1jba h LEU 117 CO -0.44 0.53 1.38 0.25 0.09 0.00 0.00 178.44 180.25 1jba h LEU 118 N -0.50 0.00 0.21 1.67 5.85 -0.81 2.46 115.31 124.19 1jba h LEU 118 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 1jba h LEU 118 Cb 0.53 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.58 1jba h LEU 118 CO 0.00 0.00 -1.63 0.44 -0.34 0.00 0.00 178.44 176.91 1jba h ASP 119 N 0.00 0.70 -0.07 1.25 3.32 -1.20 -2.83 116.42 117.59 1jba h ASP 119 Ca 0.89 -0.93 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1jba h ASP 119 Cb 3.65 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 42.97 1jba h ASP 119 CO -0.01 1.76 -0.15 0.40 -1.72 0.00 0.00 179.24 179.52 1jba h ILE 120 N 0.10 1.41 -0.32 0.35 1.08 0.43 -2.69 117.51 117.87 1jba h ILE 120 Ca -0.31 -1.45 0.04 0.00 -0.39 0.00 0.00 64.86 62.74 1jba h ILE 120 Cb 2.11 2.19 -0.04 0.00 -3.07 0.00 0.00 36.82 38.02 1jba h ILE 120 CO 0.21 0.41 0.11 -0.37 -0.69 0.00 0.00 178.15 177.82 1jba h VAL 121 N -0.25 0.90 -0.98 1.67 -1.51 0.16 0.46 116.25 116.71 1jba h VAL 121 Ca 0.00 -0.08 0.18 0.00 -1.23 0.00 0.00 66.70 65.57 1jba h VAL 121 Cb 0.73 0.64 -0.09 0.00 -2.13 0.00 0.00 31.29 30.44 1jba h VAL 121 CO 0.03 0.04 0.61 -0.08 -1.23 0.00 0.00 177.57 176.95 1jba h GLU 122 N 0.25 0.67 -0.37 5.19 4.81 -1.50 0.18 114.58 123.81 1jba h GLU 122 Ca 0.15 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1jba h GLU 122 Cb 0.12 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1jba h GLU 122 CO -0.15 0.45 -0.15 1.03 -0.73 0.00 0.00 179.01 179.45 1jba h SER 123 N 0.69 0.77 -0.42 1.04 0.87 -0.69 -2.19 113.55 113.62 1jba h SER 123 Ca 0.54 -0.39 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1jba h SER 123 Cb 0.92 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1jba h SER 123 CO -0.31 0.99 0.28 0.40 -0.53 0.00 0.00 176.83 177.66 1jba h ILE 124 N 0.54 1.07 -0.17 2.23 5.03 0.13 -1.47 117.51 124.87 1jba h ILE 124 Ca 0.08 -0.18 -0.16 0.00 -0.12 0.00 0.00 64.86 64.48 1jba h ILE 124 Cb 0.69 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 1jba h ILE 124 CO 0.05 0.09 -0.58 1.88 -0.68 0.00 0.00 178.15 178.91 1jba h TYR 125 N 0.51 0.68 0.74 1.37 0.05 -0.72 -2.60 116.97 117.02 1jba h TYR 125 Ca 0.16 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1jba h TYR 125 Cb 0.02 -0.13 0.01 0.00 1.01 0.00 0.00 36.73 37.64 1jba h TYR 125 CO -0.00 0.99 -0.36 -0.22 -1.05 0.00 0.00 178.16 177.52 1jba h LYS 126 N 0.41 -0.96 -0.76 4.88 3.64 -0.65 -1.42 116.57 121.72 1jba h LYS 126 Ca 0.00 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1jba h LYS 126 Cb 1.13 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 1jba h LYS 126 CO 0.11 -0.64 0.30 1.25 -2.27 0.00 0.00 179.45 178.20 1jba h LEU 127 N -1.00 0.28 0.17 5.20 6.46 -1.57 -2.06 115.31 122.79 1jba h LEU 127 Ca -0.10 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1jba h LEU 127 Cb 0.76 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 1jba h LEU 127 CO 0.17 0.10 -0.49 0.50 -0.62 0.00 0.00 178.44 178.09 1jba h LYS 128 N 0.44 -0.73 -1.01 1.25 3.64 -1.28 0.88 116.57 119.76 1jba h LYS 128 Ca 0.42 0.05 0.28 0.00 -1.27 0.00 0.00 60.65 60.13 1jba h LYS 128 Cb 0.64 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 1jba h LYS 128 CO -0.41 -0.49 0.71 0.87 -2.27 0.00 0.00 179.45 177.86 1jba h LYS 129 N -0.76 0.13 -0.47 1.90 1.57 -0.58 1.30 116.57 119.66 1jba h LYS 129 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jba h LYS 129 Cb 0.76 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1jba h LYS 129 CO -0.25 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.72 1jba n ALA 130 N -2.66 2.43 -1.76 3.86 0.00 -0.04 -4.91 120.51 117.43 1jba n ALA 130 Ca 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1jba n ALA 130 Cb 1.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.26 3.62 -4.85 0.00 3.41 -1.26 -4.92 113.62 107.35 1jba n SER 132 Ca 0.00 -3.13 -0.21 0.00 -0.26 0.00 0.00 58.87 55.26 1jba n SER 132 Cb 0.00 -0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 63.17 1jba n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jba s VAL 133 N -2.39 3.83 -0.79 -3.33 1.01 -1.26 -5.02 120.40 112.44 1jba s VAL 133 Ca 0.41 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1jba s VAL 133 Cb 0.35 -3.26 0.37 0.00 0.00 0.00 0.00 36.38 33.83 1jba s VAL 133 CO 0.08 -0.22 2.05 -0.62 0.00 0.00 0.00 175.10 176.39 1jba n GLU 134 N -1.33 2.72 -2.15 2.72 1.02 -1.26 -4.94 120.64 117.41 1jba n GLU 134 Ca -0.03 -3.41 -0.12 0.00 -0.02 0.00 0.00 57.16 53.58 1jba n GLU 134 Cb 0.59 -2.27 0.01 0.00 -0.02 0.00 0.00 31.44 29.76 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 -0.61 -1.60 0.00 2.62 3.14 -1.26 -4.80 118.33 115.82 1jba n VAL 135 Ca 0.56 0.14 0.00 0.00 -2.96 0.00 0.00 64.34 62.08 1jba n VAL 135 Cb 0.36 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 1jba n VAL 135 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba n GLU 136 N 0.36 0.00 0.00 1.45 4.71 -1.26 -4.56 120.64 121.34 1jba n GLU 136 Ca -0.03 0.57 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 1jba n GLU 136 Cb 0.32 -1.01 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jba n ALA 137 N -1.50 0.00 -0.46 0.62 0.00 -1.26 -4.04 120.51 113.86 1jba n ALA 137 Ca 0.00 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.82 1jba n ALA 137 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 1jba n ALA 137 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jba h GLU 138 N 0.00 0.09 0.00 0.00 5.08 -1.93 -3.33 114.58 114.49 1jba h GLU 138 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jba h GLU 138 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1jba h GLU 138 CO 0.00 0.06 0.00 0.94 -1.00 0.00 0.00 179.01 179.01 1jba n GLN 139 N -4.51 3.54 -4.04 2.33 7.27 -1.26 -3.61 117.38 117.11 1jba n GLN 139 Ca 0.36 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 57.15 1jba n GLN 139 Cb 1.45 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 34.06 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 0.00 -2.55 -3.91 3.69 6.02 -1.26 -0.27 117.38 119.10 1jba n GLN 140 Ca 0.00 0.32 -0.27 0.00 -0.01 0.00 0.00 57.00 57.04 1jba n GLN 140 Cb 0.00 -4.23 -0.01 0.00 1.02 0.00 0.00 30.24 27.03 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jba n GLY 141 N -2.13 -0.35 1.26 1.08 0.00 -1.26 -4.57 105.19 99.23 1jba n GLY 141 Ca -0.30 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1jba n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jba n LYS 142 N -4.38 -2.53 -1.61 1.61 5.02 0.63 -4.67 118.16 112.23 1jba n LYS 142 Ca -0.28 1.84 -0.47 0.00 -2.02 0.00 0.00 58.31 57.39 1jba n LYS 142 Cb 0.67 -3.11 -0.03 0.00 -0.02 0.00 0.00 35.03 32.54 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jba n LEU 143 N -3.81 2.03 0.00 -0.35 4.77 -1.25 -4.89 117.00 113.49 1jba n LEU 143 Ca -0.02 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1jba n LEU 143 Cb 0.65 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1jba n LEU 143 CO 0.02 -1.07 0.00 0.00 -1.33 0.00 0.00 177.39 175.01 1jba n LEU 144 N 1.97 0.00 -4.59 2.23 -0.00 -1.26 -5.16 117.00 110.19 1jba n LEU 144 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.90 1jba n LEU 144 Cb 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.61 1jba n LEU 144 CO 0.61 0.00 -0.38 0.42 -0.00 0.00 0.00 177.39 178.04 1jba s THR 145 N -0.72 3.15 0.49 1.47 -4.23 -1.26 -5.01 115.64 109.53 1jba s THR 145 Ca 0.00 -1.99 0.20 0.00 -1.18 0.00 0.00 61.69 58.72 1jba s THR 145 Cb 0.00 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1jba s THR 145 CO 0.00 -0.33 2.10 1.55 -0.54 0.00 0.00 174.62 177.40 1jba h PRO 146 N 2.19 0.00 0.00 3.99 0.13 -2.02 -1.90 132.00 134.39 1jba h PRO 146 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1jba h PRO 146 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1jba h PRO 146 CO 0.59 0.09 -0.82 1.05 -0.23 0.00 0.00 178.00 178.67 1jba h GLU 147 N 0.00 0.00 0.29 0.86 4.11 -1.98 -3.32 114.58 114.54 1jba h GLU 147 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1jba h GLU 147 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jba h GLU 147 CO 0.01 0.52 -0.14 0.93 0.07 0.00 0.00 179.01 180.40 1jba h GLU 148 N 0.00 -0.37 -0.57 1.06 4.39 -1.74 -1.39 114.58 115.96 1jba h GLU 148 Ca -0.05 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.79 1jba h GLU 148 Cb 1.50 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 30.14 1jba h GLU 148 CO 0.07 -0.10 -0.00 -0.39 -1.16 0.00 0.00 179.01 177.42 1jba h VAL 149 N -0.61 0.54 -0.07 3.13 -1.51 -1.67 0.15 116.25 116.21 1jba h VAL 149 Ca -0.04 -0.04 0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1jba h VAL 149 Cb 0.44 0.41 -0.02 0.00 -2.13 0.00 0.00 31.29 29.99 1jba h VAL 149 CO 0.06 0.02 -0.04 0.58 -1.23 0.00 0.00 177.57 176.96 1jba h VAL 150 N 0.12 0.87 0.00 7.19 2.07 -1.63 0.24 116.25 125.10 1jba h VAL 150 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1jba h VAL 150 Cb 0.46 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1jba h VAL 150 CO -0.48 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.55 1jba h ASP 151 N -0.04 0.00 0.18 0.57 5.19 -0.06 0.33 116.42 122.60 1jba h ASP 151 Ca 0.04 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.19 1jba h ASP 151 Cb 0.10 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.64 1jba h ASP 151 CO -0.10 0.00 -1.21 -0.09 -3.12 0.00 0.00 179.24 174.72 1jba h ARG 152 N 0.00 0.38 -0.00 3.56 9.65 0.12 -2.77 114.38 125.33 1jba h ARG 152 Ca 0.00 -0.66 -0.18 0.00 -1.10 0.00 0.00 59.98 58.04 1jba h ARG 152 Cb 0.14 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1jba h ARG 152 CO 0.00 1.31 -0.83 0.82 2.80 0.00 0.00 179.97 184.07 1jba h ILE 153 N -0.15 1.51 0.55 1.20 2.04 -0.60 -2.41 117.51 119.65 1jba h ILE 153 Ca -0.22 -2.61 -0.03 0.00 1.00 0.00 0.00 64.86 63.00 1jba h ILE 153 Cb 1.88 2.44 0.01 0.00 -0.74 0.00 0.00 36.82 40.40 1jba h ILE 153 CO 0.18 0.76 -0.26 0.15 0.00 0.00 0.00 178.15 178.98 1jba h PHE 154 N 0.08 -0.68 0.38 1.37 3.57 -1.05 -2.77 116.94 117.83 1jba h PHE 154 Ca -0.03 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1jba h PHE 154 Cb 1.45 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1jba h PHE 154 CO 0.02 -0.39 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.46 1jba h LEU 155 N -1.15 -0.43 -0.85 0.59 3.38 -1.60 2.19 115.31 117.42 1jba h LEU 155 Ca -0.07 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.09 1jba h LEU 155 Cb 0.59 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.30 1jba h LEU 155 CO 0.12 -0.30 -0.13 0.25 0.09 0.00 0.00 178.44 178.47 1jba h LEU 156 N -0.53 -0.66 0.00 1.67 5.85 -1.54 0.71 115.31 120.81 1jba h LEU 156 Ca -0.05 0.25 -0.23 0.00 0.84 0.00 0.00 57.88 58.69 1jba h LEU 156 Cb 0.40 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1jba h LEU 156 CO 0.09 -0.27 -1.41 0.58 -0.34 0.00 0.00 178.44 177.08 1jba h VAL 157 N 0.02 0.89 -2.24 1.05 2.07 -1.26 -3.37 116.25 113.41 1jba h VAL 157 Ca 0.44 -2.58 -0.73 0.00 0.82 0.00 0.00 66.70 64.64 1jba h VAL 157 Cb 0.73 2.38 -0.32 0.00 -1.52 0.00 0.00 31.29 32.56 1jba h VAL 157 CO -0.84 0.51 0.45 -0.67 0.02 0.00 0.00 177.57 177.03 1jba n ASP 158 N -3.07 6.37 0.00 0.57 -0.08 0.74 -4.74 116.55 116.34 1jba n ASP 158 Ca -0.11 -3.70 0.11 0.00 -1.51 0.00 0.00 54.79 49.59 1jba n ASP 158 Cb 0.95 -0.95 0.59 0.00 2.34 0.00 0.00 41.12 44.05 1jba n ASP 158 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jba n GLU 159 N -0.15 0.49 -0.09 -0.67 1.02 -0.25 -2.64 120.64 118.36 1jba n GLU 159 Ca 0.42 0.04 0.05 0.00 -0.02 0.00 0.00 57.16 57.66 1jba n GLU 159 Cb 0.31 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.43 1jba n GLU 159 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jba n ASN 160 N -1.15 1.08 -0.93 1.62 0.23 -1.26 -4.85 115.26 110.01 1jba n ASN 160 Ca 0.13 -1.87 -0.06 0.00 -0.53 0.00 0.00 54.58 52.25 1jba n ASN 160 Cb 0.12 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 161 N 0.88 0.59 0.49 4.83 0.00 -1.08 -4.69 105.19 106.20 1jba n GLY 161 Ca 0.10 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.42 1jba n GLY 161 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jba h ASP 162 N 0.00 0.00 0.00 1.61 3.58 -1.89 -3.44 116.42 116.28 1jba h ASP 162 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1jba h ASP 162 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1jba h ASP 162 CO 0.19 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 1jba n GLY 163 N -1.72 2.97 3.22 -0.78 0.00 -1.26 -5.00 105.19 102.62 1jba n GLY 163 Ca 0.20 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.49 -0.45 1.61 -0.21 -1.26 -4.94 119.66 115.90 1jba s GLN 164 Ca 0.00 -0.81 -0.21 0.00 0.02 0.00 0.00 55.36 54.36 1jba s GLN 164 Cb 0.00 -1.51 0.03 0.00 1.00 0.00 0.00 33.01 32.52 1jba s GLN 164 CO 0.00 0.40 0.69 -1.17 -2.12 0.00 0.00 175.29 173.09 1jba s LEU 165 N -0.78 4.43 0.69 2.90 2.96 -1.08 -5.00 118.68 122.80 1jba s LEU 165 Ca 0.07 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1jba s LEU 165 Cb -0.08 -2.79 0.09 0.00 0.50 0.00 0.00 46.19 43.91 1jba s LEU 165 CO 0.00 -0.83 0.97 -0.55 -1.32 0.00 0.00 176.35 174.62 1jba s SER 166 N 2.07 4.59 -0.05 3.68 0.15 -1.26 -2.62 113.70 120.25 1jba s SER 166 Ca 0.25 -0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.64 1jba s SER 166 Cb -0.14 -0.51 -0.17 0.00 -1.71 0.00 0.00 66.02 63.49 1jba s SER 166 CO 0.20 -1.69 0.94 0.25 1.20 0.00 0.00 173.24 174.14 1jba h LEU 167 N -0.48 -0.13 -0.95 3.45 5.85 -1.96 -2.57 115.31 118.51 1jba h LEU 167 Ca -0.40 -0.43 0.28 0.00 0.84 0.00 0.00 57.88 58.17 1jba h LEU 167 Cb 1.28 0.03 -0.17 0.00 0.37 0.00 0.00 40.66 42.18 1jba h LEU 167 CO 0.48 0.44 0.19 0.78 -0.34 0.00 0.00 178.44 179.99 1jba h ASN 168 N -0.80 -0.17 -0.32 1.25 4.21 -2.00 0.73 115.58 118.48 1jba h ASN 168 Ca -0.02 0.24 -0.16 0.00 1.21 0.00 0.00 56.30 57.58 1jba h ASN 168 Cb 0.56 0.37 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 1jba h ASN 168 CO 0.03 -0.29 -0.41 -0.33 -1.29 0.00 0.00 177.43 175.14 1jba h GLU 169 N 0.09 0.88 0.00 0.81 5.08 -1.95 -2.91 114.58 116.58 1jba h GLU 169 Ca 0.62 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jba h GLU 169 Cb 1.34 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1jba h GLU 169 CO -0.79 1.12 0.00 0.34 -1.00 0.00 0.00 179.01 178.68 1jba n PHE 170 N -4.05 0.00 -0.29 4.33 7.35 0.25 -0.77 117.46 124.28 1jba n PHE 170 Ca -0.02 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.65 1jba n PHE 170 Cb 0.55 -0.50 0.04 0.00 0.35 0.00 0.00 39.48 39.93 1jba n PHE 170 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1jba h VAL 171 N 0.00 0.11 0.00 -2.13 -1.51 -1.42 2.90 116.25 114.19 1jba h VAL 171 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1jba h VAL 171 Cb 0.00 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.27 1jba h VAL 171 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.72 1jba n GLU 172 N -5.47 0.15 -0.02 5.19 -0.58 -1.10 0.12 120.64 118.92 1jba n GLU 172 Ca 0.08 0.61 0.02 0.00 -0.42 0.00 0.00 57.16 57.45 1jba n GLU 172 Cb 0.39 -1.95 -0.08 0.00 -0.57 0.00 0.00 31.44 29.23 1jba n GLU 172 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jba n GLY 173 N -1.09 -0.49 0.02 0.62 0.00 0.71 -4.49 105.19 100.47 1jba n GLY 173 Ca -0.01 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.05 4.11 -0.07 4.61 0.00 0.81 -3.64 120.51 124.28 1jba n ALA 174 Ca -0.07 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 1jba n ALA 174 Cb 0.47 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 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 0.10 0.00 0.00 0.00 2.43 0.74 -3.31 114.38 114.34 1jba h ARG 175 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jba h ARG 175 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1jba h ARG 175 CO 0.00 0.89 0.00 -0.09 -1.51 0.00 0.00 179.97 179.26 1jba h ARG 176 N -1.00 0.00 0.00 0.20 1.12 -1.79 -3.49 114.38 109.42 1jba h ARG 176 Ca -0.06 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 58.89 1jba h ARG 176 Cb 0.95 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 1jba h ARG 176 CO -0.04 0.00 -0.10 -0.40 -3.11 0.00 0.00 179.97 176.32 1jba n ASP 177 N -2.84 -2.14 0.00 -3.80 5.68 -1.24 -4.99 116.55 107.21 1jba n ASP 177 Ca 0.04 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 1jba n ASP 177 Cb 0.46 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.32 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1jba n LYS 178 N -1.25 0.00 0.00 0.11 4.81 -1.26 -4.97 118.16 115.60 1jba n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jba n LYS 178 Cb 0.13 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.18 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1jba n TRP 179 N 0.00 0.00 -0.11 5.64 -0.00 -1.26 -4.92 117.44 116.79 1jba n TRP 179 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 1jba n TRP 179 Cb 0.00 0.00 0.48 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.00 0.89 0.00 5.87 3.04 -1.93 -2.86 116.25 121.26 1jba h VAL 180 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1jba h VAL 180 Cb 0.00 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1jba h VAL 180 CO 0.00 0.08 0.00 0.80 -1.01 0.00 0.00 177.57 177.44 1jba n MET 181 N -4.48 0.00 -0.41 4.17 0.00 -1.26 0.83 117.12 115.97 1jba n MET 181 Ca 0.11 0.60 -0.11 0.00 -0.00 0.00 0.00 57.70 58.30 1jba n MET 181 Cb 0.38 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.01 1jba n MET 181 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1jba n LYS 182 N -2.20 -0.43 0.15 2.12 4.81 -1.11 0.24 118.16 121.74 1jba n LYS 182 Ca 0.00 1.50 -0.07 0.00 -0.87 0.00 0.00 58.31 58.87 1jba n LYS 182 Cb 0.00 -2.20 -0.03 0.00 0.02 0.00 0.00 35.03 32.81 1jba n LYS 182 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1jba h MET 183 N 0.00 -0.40 -0.69 1.64 4.05 -1.45 0.43 114.93 118.51 1jba h MET 183 Ca 0.16 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.75 1jba h MET 183 Cb 0.40 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.18 1jba h MET 183 CO -0.92 -0.27 0.07 1.25 0.23 0.00 0.00 176.91 177.27 1jba h LEU 184 N -0.41 -0.18 0.00 3.39 5.85 0.97 -3.31 115.31 121.61 1jba h LEU 184 Ca -0.04 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jba h LEU 184 Cb 0.33 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1jba h LEU 184 CO 0.03 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.03 1jba n GLN 185 N -5.25 0.00 0.00 1.25 1.13 0.65 -5.05 117.38 110.12 1jba n GLN 185 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1jba n GLN 185 Cb 0.42 -0.24 0.00 0.00 0.11 0.00 0.00 30.24 30.53 1jba n GLN 185 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1jba n MET 186 N 0.00 0.00 0.00 -1.09 2.81 0.13 -5.04 117.12 113.93 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1jba n MET 186 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1jba n ASP 187 N 0.00 0.00 -0.36 7.83 2.03 -1.26 -4.30 116.55 120.50 1jba n ASP 187 Ca 0.00 -0.01 0.01 0.00 0.52 0.00 0.00 54.79 55.31 1jba n ASP 187 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1jba n ASP 187 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1jba h LEU 188 N 0.00 -1.25 0.00 -2.67 6.46 -1.97 -3.44 115.31 112.44 1jba h LEU 188 Ca 0.00 0.30 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1jba h LEU 188 Cb 0.01 0.70 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1jba h LEU 188 CO 0.00 -0.30 0.00 -3.20 -0.62 0.00 0.00 178.44 174.32 1jba n ASN 189 N -5.51 0.00 0.00 1.25 5.15 -1.26 -5.27 115.26 109.61 1jba n ASN 189 Ca 0.11 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.16 1jba n ASN 189 Cb 0.42 0.01 0.37 0.00 -0.53 0.00 0.00 39.78 40.06 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85