#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 -0.03 -1.86 1.61 1.13 -1.26 -4.97 117.38 112.00 1jba n GLN 3 Ca 0.00 0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.81 1jba n GLN 3 Cb 0.00 -2.21 0.01 0.00 0.11 0.00 0.00 30.24 28.15 1jba n GLN 3 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1jba s GLN 4 N -3.91 3.53 0.00 -1.09 0.74 -1.26 -5.07 119.66 112.60 1jba s GLN 4 Ca 0.67 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.88 1jba s GLN 4 Cb -0.27 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.77 1jba s GLN 4 CO 0.57 -0.62 0.00 1.97 -0.55 0.00 0.00 175.29 176.65 1jba n PHE 5 N -2.72 -0.16 -4.09 1.67 -1.74 -1.26 -4.70 117.46 104.46 1jba n PHE 5 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 1jba n PHE 5 Cb 0.54 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.54 1jba n PHE 5 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1jba n SER 6 N 0.00 -0.11 -3.53 5.98 7.64 -1.26 -4.25 113.62 118.09 1jba n SER 6 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1jba n SER 6 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1jba n SER 6 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jba n TRP 7 N 0.00 1.58 0.00 1.43 8.01 -1.26 -4.74 117.44 122.46 1jba n TRP 7 Ca 0.00 -1.68 0.00 0.00 -1.31 0.00 0.00 57.50 54.51 1jba n TRP 7 Cb 0.00 -1.59 0.00 0.00 -2.01 0.00 0.00 31.31 27.71 1jba n TRP 7 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1jba n GLU 8 N 6.66 0.00 -0.29 -0.99 1.02 -1.26 -1.53 120.64 124.25 1jba n GLU 8 Ca 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.50 1jba n GLU 8 Cb 0.36 -0.44 -0.09 0.00 -0.02 0.00 0.00 31.44 31.25 1jba n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jba h GLU 9 N 0.00 -0.17 -1.31 3.49 5.08 -1.91 0.79 114.58 120.55 1jba h GLU 9 Ca 0.00 0.01 0.45 0.00 -1.00 0.00 0.00 59.36 58.82 1jba h GLU 9 Cb 0.00 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.15 1jba h GLU 9 CO 0.00 -0.12 0.83 0.00 -1.00 0.00 0.00 179.01 178.72 1jba h ALA 10 N 0.31 2.70 0.00 3.43 0.00 -1.90 1.34 119.26 125.14 1jba h ALA 10 Ca 0.13 0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 1jba h ALA 10 Cb 0.50 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1jba h ALA 10 CO -0.78 -1.38 -1.66 -1.91 0.00 0.00 0.00 179.25 173.52 1jba n GLU 11 N -4.78 0.63 -0.66 0.00 2.13 0.19 -3.88 120.64 114.26 1jba n GLU 11 Ca 0.39 0.29 0.02 0.00 0.66 0.00 0.00 57.16 58.52 1jba n GLU 11 Cb 1.47 -1.80 0.27 0.00 0.27 0.00 0.00 31.44 31.65 1jba n GLU 11 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jba n GLU 12 N -3.02 3.52 -3.89 5.31 4.07 0.40 -4.80 120.64 122.23 1jba n GLU 12 Ca -0.16 -2.21 -0.25 0.00 -0.06 0.00 0.00 57.16 54.49 1jba n GLU 12 Cb 1.02 -2.02 -0.17 0.00 -0.06 0.00 0.00 31.44 30.21 1jba n GLU 12 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1jba s ASN 13 N -0.55 1.89 0.89 4.31 0.02 0.18 -4.92 114.94 116.76 1jba s ASN 13 Ca 0.39 -0.21 -0.13 0.00 -1.02 0.00 0.00 52.86 51.89 1jba s ASN 13 Cb 0.30 -0.67 0.06 0.00 0.02 0.00 0.00 41.25 40.96 1jba s ASN 13 CO 0.11 -0.14 0.71 0.61 0.02 0.00 0.00 177.10 178.41 1jba n GLY 14 N 4.95 -1.28 2.94 0.66 0.00 -1.26 -4.21 105.19 106.99 1jba n GLY 14 Ca -0.11 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 15 N -3.55 -2.90 -1.13 4.61 0.00 -1.26 -4.83 120.51 111.46 1jba n ALA 15 Ca 0.09 0.46 -0.37 0.00 0.00 0.00 0.00 53.44 53.63 1jba n ALA 15 Cb 0.52 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 0.62 0.53 0.00 0.00 3.14 -1.26 -4.96 118.33 116.40 1jba n VAL 16 Ca 0.01 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1jba n VAL 16 Cb 0.28 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 2.47 -1.16 2.61 7.55 0.00 -1.26 -5.03 105.19 110.37 1jba n GLY 17 Ca 0.05 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 -0.17 0.00 4.61 0.00 -1.26 -4.91 120.51 115.78 1jba n ALA 18 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1jba n ALA 18 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.45 0.00 -1.00 0.00 0.00 -1.26 -5.05 120.51 113.65 1jba n ALA 19 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1jba n ALA 19 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 0.00 0.00 -0.29 0.00 2.03 -1.26 -1.98 116.55 115.05 1jba n ASP 20 Ca 0.00 0.06 0.13 0.00 0.52 0.00 0.00 54.79 55.50 1jba n ASP 20 Cb 0.00 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 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 -2.63 0.45 -0.29 -1.67 0.00 -1.26 0.23 120.51 115.33 1jba n ALA 21 Ca 0.00 0.90 0.08 0.00 0.00 0.00 0.00 53.44 54.42 1jba n ALA 21 Cb 0.00 -0.67 0.24 0.00 0.00 0.00 0.00 19.45 19.02 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 1.68 1.28 -0.20 0.00 0.00 -1.97 0.57 119.26 120.61 1jba h ALA 22 Ca 0.52 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.35 1jba h ALA 22 Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1jba h ALA 22 CO -0.78 -0.18 -0.64 1.96 0.00 0.00 0.00 179.25 179.61 1jba h GLN 23 N 0.53 0.73 -0.76 0.00 4.20 0.34 -2.82 115.11 117.34 1jba h GLN 23 Ca 0.48 -0.51 0.08 0.00 0.06 0.00 0.00 58.65 58.76 1jba h GLN 23 Cb 0.76 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 1jba h GLN 23 CO -0.42 1.14 0.42 -0.07 -0.67 0.00 0.00 178.83 179.23 1jba h LEU 24 N 0.54 0.59 0.27 1.46 -0.00 0.11 1.89 115.31 120.18 1jba h LEU 24 Ca -0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1jba h LEU 24 Cb 1.23 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1jba h LEU 24 CO 0.13 0.35 -0.13 1.56 -0.00 0.00 0.00 178.44 180.36 1jba h GLN 25 N 0.72 -0.34 -0.11 1.13 1.08 -1.11 -2.32 115.11 114.15 1jba h GLN 25 Ca 0.36 0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.49 1jba h GLN 25 Cb 0.31 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1jba h GLN 25 CO -0.23 -0.13 -0.35 1.49 -0.95 0.00 0.00 178.83 178.66 1jba h GLU 26 N -0.51 0.23 -0.43 1.46 4.81 -1.17 -2.42 114.58 116.56 1jba h GLU 26 Ca -0.04 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1jba h GLU 26 Cb 0.38 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1jba h GLU 26 CO 0.06 0.56 0.28 -1.49 -0.73 0.00 0.00 179.01 177.69 1jba h TRP 27 N 0.20 0.52 0.17 0.92 4.06 0.32 0.62 115.95 122.75 1jba h TRP 27 Ca 0.02 0.01 -0.31 0.00 2.06 0.00 0.00 58.89 60.67 1jba h TRP 27 Cb 0.72 -0.18 0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1jba h TRP 27 CO 0.01 0.32 -1.47 -0.92 -3.56 0.00 0.00 178.44 172.82 1jba h TYR 28 N 0.56 0.64 0.00 0.49 3.20 -1.12 -2.43 116.97 118.31 1jba h TYR 28 Ca 0.16 -0.47 -0.11 0.00 3.14 0.00 0.00 58.73 61.45 1jba h TYR 28 Cb -0.03 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1jba h TYR 28 CO -0.00 1.44 -0.53 -0.22 -1.64 0.00 0.00 178.16 177.21 1jba h LYS 29 N 0.10 0.00 0.20 1.82 3.64 -0.95 -2.67 116.57 118.71 1jba h LYS 29 Ca -0.23 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.83 1jba h LYS 29 Cb 2.06 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.90 1jba h LYS 29 CO 0.21 0.53 -1.46 -0.22 -2.27 0.00 0.00 179.45 176.24 1jba h LYS 30 N 0.00 0.43 0.65 1.90 1.63 0.15 -2.62 116.57 118.71 1jba h LYS 30 Ca -0.01 -0.73 -0.03 0.00 -0.85 0.00 0.00 60.65 59.03 1jba h LYS 30 Cb 1.13 0.27 0.01 0.00 -0.60 0.00 0.00 32.23 33.04 1jba h LYS 30 CO 0.07 1.34 -0.31 0.35 -3.45 0.00 0.00 179.45 177.45 1jba h PHE 31 N 0.12 -0.81 0.00 1.91 3.57 -1.43 -2.98 116.94 117.31 1jba h PHE 31 Ca -0.23 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1jba h PHE 31 Cb 2.10 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 41.10 1jba h PHE 31 CO 0.10 -0.46 -0.05 1.25 -2.23 0.00 0.00 178.31 176.92 1jba h LEU 32 N -1.12 0.00 -1.23 0.59 5.85 -1.63 -3.46 115.31 114.32 1jba h LEU 32 Ca -0.09 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.08 1jba h LEU 32 Cb 0.70 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.54 1jba h LEU 32 CO 0.15 0.05 -0.85 1.21 -0.34 0.00 0.00 178.44 178.66 1jba n GLU 33 N -4.47 -3.05 -3.12 1.25 2.13 -0.99 0.53 120.64 112.92 1jba n GLU 33 Ca -0.03 0.36 -0.14 0.00 0.66 0.00 0.00 57.16 58.01 1jba n GLU 33 Cb 0.14 -4.98 0.05 0.00 0.27 0.00 0.00 31.44 26.91 1jba n GLU 33 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1jba n GLU 34 N -4.38 -4.58 -3.70 5.31 1.02 -1.26 -5.00 120.64 108.05 1jba n GLU 34 Ca 0.02 0.48 -0.38 0.00 -0.02 0.00 0.00 57.16 57.26 1jba n GLU 34 Cb 0.52 -4.47 -0.12 0.00 -0.02 0.00 0.00 31.44 27.35 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba n PRO 36 N 4.92 0.14 -0.08 0.00 -0.04 -1.26 -2.66 135.00 136.02 1jba n PRO 36 Ca -0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 1jba n PRO 36 Cb 0.48 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 1jba n PRO 36 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jba n SER 37 N 0.95 0.16 -0.94 3.54 2.88 -1.26 -4.93 113.62 114.02 1jba n SER 37 Ca 0.00 0.08 -0.07 0.00 -1.33 0.00 0.00 58.87 57.55 1jba n SER 37 Cb 0.07 0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 64.32 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N 1.70 0.65 3.27 0.46 0.00 -1.09 -4.84 105.19 105.35 1jba n GLY 38 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1jba n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jba s THR 39 N -1.43 -0.00 -0.17 2.61 2.01 -1.26 -4.54 115.64 112.85 1jba s THR 39 Ca 0.00 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 1jba s THR 39 Cb 0.00 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 1jba s THR 39 CO 0.00 0.00 0.18 -0.22 -0.69 0.00 0.00 174.62 173.89 1jba s LEU 40 N 0.30 4.26 0.22 4.42 2.96 -0.95 -4.97 118.68 124.93 1jba s LEU 40 Ca -0.01 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 1jba s LEU 40 Cb -0.03 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1jba s LEU 40 CO -0.01 0.21 0.28 -0.36 -1.32 0.00 0.00 176.35 175.16 1jba s PHE 41 N 0.08 3.35 0.42 5.38 0.40 -1.26 -0.75 117.98 125.60 1jba s PHE 41 Ca 0.12 -0.02 0.21 0.00 -0.60 0.00 0.00 56.93 56.64 1jba s PHE 41 Cb -0.12 -1.54 1.18 0.00 0.51 0.00 0.00 43.02 43.05 1jba s PHE 41 CO 0.01 0.48 1.76 1.98 0.70 0.00 0.00 175.22 180.15 1jba h MET 42 N 1.56 0.32 -0.23 0.44 4.05 -1.97 0.22 114.93 119.31 1jba h MET 42 Ca -0.50 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 58.89 1jba h MET 42 Cb 1.22 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1jba h MET 42 CO 0.63 0.21 0.09 1.25 0.23 0.00 0.00 176.91 179.31 1jba h HIS 43 N 0.33 0.36 0.00 1.39 6.17 -1.97 -1.82 115.15 119.60 1jba h HIS 43 Ca 0.61 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.66 1jba h HIS 43 Cb 1.67 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 31.50 1jba h HIS 43 CO -0.00 0.40 0.00 0.93 0.71 0.00 0.00 177.93 179.96 1jba h GLU 44 N 0.22 0.00 0.14 5.26 5.08 -1.01 -1.47 114.58 122.80 1jba h GLU 44 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1jba h GLU 44 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jba h GLU 44 CO -0.01 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.29 1jba h PHE 45 N 0.00 -0.17 0.00 4.33 3.04 -0.38 -2.81 116.94 120.95 1jba h PHE 45 Ca 0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1jba h PHE 45 Cb 0.35 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 1jba h PHE 45 CO 0.00 0.24 -0.11 -0.22 -2.02 0.00 0.00 178.31 176.20 1jba h LYS 46 N -0.94 0.00 0.00 1.11 3.11 -1.28 -2.89 116.57 115.68 1jba h LYS 46 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1jba h LYS 46 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1jba h LYS 46 CO 0.03 0.11 0.00 -2.13 -2.81 0.00 0.00 179.45 174.65 1jba n ARG 47 N -3.69 0.00 -0.36 1.90 0.63 -0.56 0.16 116.66 114.74 1jba n ARG 47 Ca -0.02 0.45 -0.01 0.00 -0.92 0.00 0.00 57.85 57.35 1jba n ARG 47 Cb 0.23 -1.38 0.04 0.00 0.45 0.00 0.00 32.46 31.80 1jba n ARG 47 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1jba h PHE 48 N 0.00 -1.04 0.00 -0.14 3.57 -1.48 0.28 116.94 118.13 1jba h PHE 48 Ca 0.00 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jba h PHE 48 Cb 0.00 0.59 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1jba h PHE 48 CO 0.18 -0.40 0.00 1.19 -2.23 0.00 0.00 178.31 177.04 1jba n PHE 49 N -5.48 0.00 -3.67 0.41 3.01 -1.10 -4.51 117.46 106.14 1jba n PHE 49 Ca 0.10 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.19 1jba n PHE 49 Cb 0.40 -0.30 -0.08 0.00 -0.01 0.00 0.00 39.48 39.49 1jba n PHE 49 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1jba s LYS 50 N -1.58 2.94 0.43 -1.08 1.02 0.42 -4.90 119.74 117.00 1jba s LYS 50 Ca 0.00 -2.90 0.24 0.00 0.02 0.00 0.00 55.97 53.33 1jba s LYS 50 Cb 0.00 -3.86 0.61 0.00 -0.52 0.00 0.00 37.83 34.06 1jba s LYS 50 CO 0.00 -1.22 1.70 -0.24 -0.92 0.00 0.00 175.35 174.66 1jba h VAL 51 N 4.67 0.26 -2.83 3.17 3.04 -0.38 -3.36 116.25 120.83 1jba h VAL 51 Ca 0.08 -1.15 -0.57 0.00 -1.01 0.00 0.00 66.70 64.05 1jba h VAL 51 Cb 0.89 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 32.07 1jba h VAL 51 CO 0.78 0.13 1.20 -2.16 -1.01 0.00 0.00 177.57 176.52 1jba s PRO 52 N -3.34 3.36 -0.43 4.17 0.05 -1.26 -4.88 135.00 132.67 1jba s PRO 52 Ca 0.04 1.16 -0.45 0.00 0.05 0.00 0.00 61.00 61.80 1jba s PRO 52 Cb 0.07 -4.15 -0.19 0.00 0.05 0.00 0.00 34.50 30.28 1jba s PRO 52 CO 0.65 -1.83 1.49 -0.25 0.05 0.00 0.00 177.00 177.12 1jba n ASP 53 N 9.94 1.03 -3.64 6.66 8.00 -1.26 -4.91 116.55 132.37 1jba n ASP 53 Ca 0.20 1.15 -0.06 0.00 0.71 0.00 0.00 54.79 56.80 1jba n ASP 53 Cb 0.48 -0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 40.65 1jba n ASP 53 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1jba s ASN 54 N 2.57 -0.83 0.20 -2.24 0.01 -1.26 -5.17 114.94 108.22 1jba s ASN 54 Ca 1.00 1.32 0.00 0.00 -0.71 0.00 0.00 52.86 54.48 1jba s ASN 54 Cb -1.43 1.35 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1jba s ASN 54 CO 0.77 -0.21 0.00 -0.62 -1.51 0.00 0.00 177.10 175.53 1jba n GLU 55 N 4.16 1.17 -0.04 -0.60 4.71 -1.26 -4.27 120.64 124.51 1jba n GLU 55 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.95 1jba n GLU 55 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.02 1jba n GLU 55 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1jba n GLU 56 N -0.28 0.00 0.00 3.49 -0.00 -1.26 -4.16 120.64 118.43 1jba n GLU 56 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.21 1jba n GLU 56 Cb 0.00 -1.16 -0.01 0.00 -0.00 0.00 0.00 31.44 30.27 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jba n ALA 57 N 0.50 2.90 0.01 -1.84 0.00 -1.26 -3.46 120.51 117.36 1jba n ALA 57 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1jba n ALA 57 Cb 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 1jba n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jba h THR 58 N 0.85 1.06 -0.83 0.00 2.02 -1.76 -3.32 112.91 110.93 1jba h THR 58 Ca 0.00 -2.85 0.12 0.00 0.77 0.00 0.00 66.41 64.46 1jba h THR 58 Cb 0.31 2.57 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 1jba h THR 58 CO 0.00 0.67 0.54 -0.61 0.37 0.00 0.00 175.52 176.49 1jba h GLN 59 N 0.01 0.65 0.43 6.66 -0.00 -1.92 0.34 115.11 121.29 1jba h GLN 59 Ca -0.23 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.36 1jba h GLN 59 Cb 1.96 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 29.30 1jba h GLN 59 CO 0.10 0.43 -0.21 -0.92 0.00 0.00 0.00 178.83 178.24 1jba h TYR 60 N 0.67 -0.54 -0.02 3.99 3.20 -1.76 -2.44 116.97 120.08 1jba h TYR 60 Ca 0.40 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1jba h TYR 60 Cb 0.62 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1jba h TYR 60 CO -0.00 -0.34 0.21 0.28 -1.64 0.00 0.00 178.16 176.67 1jba h VAL 61 N -1.06 0.04 -0.20 1.81 2.07 -1.59 0.35 116.25 117.67 1jba h VAL 61 Ca -0.06 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 1jba h VAL 61 Cb 0.45 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1jba h VAL 61 CO 0.10 0.00 -0.45 -0.08 0.02 0.00 0.00 177.57 177.15 1jba h GLU 62 N 0.00 0.65 -0.00 1.57 4.81 -0.18 -1.86 114.58 119.57 1jba h GLU 62 Ca 0.01 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 1jba h GLU 62 Cb 0.43 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1jba h GLU 62 CO -0.00 1.06 -0.35 0.00 -0.73 0.00 0.00 179.01 178.99 1jba h ALA 63 N 0.59 1.41 -0.03 2.92 0.00 0.13 0.61 119.26 124.88 1jba h ALA 63 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1jba h ALA 63 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1jba h ALA 63 CO 0.10 0.44 -0.35 0.52 0.00 0.00 0.00 179.25 179.96 1jba h MET 64 N 0.01 0.06 0.22 0.00 2.86 -0.92 -0.24 114.93 116.91 1jba h MET 64 Ca -0.00 -0.02 -0.32 0.00 -2.06 0.00 0.00 59.70 57.29 1jba h MET 64 Cb 0.63 -0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.32 1jba h MET 64 CO 0.05 0.41 -1.38 0.35 1.06 0.00 0.00 176.91 177.39 1jba h PHE 65 N 0.06 0.97 0.29 -0.22 3.04 -0.36 -3.16 116.94 117.55 1jba h PHE 65 Ca 0.00 -0.69 -0.01 0.00 3.98 0.00 0.00 57.97 61.25 1jba h PHE 65 Cb 0.65 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1jba h PHE 65 CO 0.00 1.53 -0.14 0.00 -2.02 0.00 0.00 178.31 177.68 1jba h ARG 66 N 0.15 -0.37 -1.44 1.11 3.08 -0.62 2.15 114.38 118.43 1jba h ARG 66 Ca -0.23 0.03 0.44 0.00 0.07 0.00 0.00 59.98 60.28 1jba h ARG 66 Cb 2.08 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 32.11 1jba h ARG 66 CO 0.26 -0.25 0.98 0.00 -1.07 0.00 0.00 179.97 179.89 1jba h ALA 67 N -1.72 3.04 0.11 0.04 0.00 -1.22 0.47 119.26 119.97 1jba h ALA 67 Ca -0.04 0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1jba h ALA 67 Cb 0.30 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jba h ALA 67 CO 0.07 -1.59 -1.90 0.35 0.00 0.00 0.00 179.25 176.17 1jba h PHE 68 N 0.08 0.40 -1.30 0.00 3.57 -1.49 -3.41 116.94 114.79 1jba h PHE 68 Ca 0.79 -0.29 -0.70 0.00 3.53 0.00 0.00 57.97 61.30 1jba h PHE 68 Cb 2.74 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 41.35 1jba h PHE 68 CO -0.00 1.61 1.90 0.34 -2.23 0.00 0.00 178.31 179.93 1jba s ASP 69 N -6.87 6.90 0.05 0.41 2.15 0.73 -4.70 116.67 115.34 1jba s ASP 69 Ca -0.18 -2.60 -0.10 0.00 0.43 0.00 0.00 52.55 50.11 1jba s ASP 69 Cb 0.07 -2.52 -0.32 0.00 -0.30 0.00 0.00 42.92 39.85 1jba s ASP 69 CO 0.79 -1.04 1.07 0.71 -0.17 0.00 0.00 175.17 176.53 1jba h THR 70 N 5.31 1.40 0.00 1.71 1.35 -1.80 -3.19 112.91 117.69 1jba h THR 70 Ca 0.40 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1jba h THR 70 Cb 0.88 3.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1jba h THR 70 CO 1.39 0.85 0.16 0.78 -0.25 0.00 0.00 175.52 178.46 1jba h ASN 71 N 0.11 0.00 -0.92 5.36 4.21 -1.93 -3.44 115.58 118.97 1jba h ASN 71 Ca -0.19 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 56.94 1jba h ASN 71 Cb 2.07 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 39.13 1jba h ASN 71 CO 0.24 0.00 -0.34 0.61 -1.29 0.00 0.00 177.43 176.65 1jba n GLY 72 N -1.19 1.73 0.00 2.83 0.00 -1.21 -4.81 105.19 102.55 1jba n GLY 72 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.97 0.00 -1.60 1.61 5.68 -1.26 -4.80 116.55 115.21 1jba n ASP 73 Ca -0.18 -0.96 -0.13 0.00 -0.50 0.00 0.00 54.79 53.02 1jba n ASP 73 Cb 0.60 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.54 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jba n ASN 74 N -0.78 -3.59 -3.78 -1.12 3.02 -1.26 -4.88 115.26 102.86 1jba n ASN 74 Ca 0.09 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.82 1jba n ASN 74 Cb 0.04 -3.29 -0.07 0.00 -0.61 0.00 0.00 39.78 35.85 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 -2.23 0.09 -0.35 3.41 -4.23 -1.26 -4.55 115.64 106.53 1jba s THR 75 Ca 0.00 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1jba s THR 75 Cb 0.00 -0.99 0.10 0.00 1.34 0.00 0.00 72.50 72.95 1jba s THR 75 CO 0.00 -0.43 0.08 -0.63 -0.54 0.00 0.00 174.62 173.10 1jba s ILE 76 N -2.78 2.01 0.80 2.99 -1.09 0.07 -5.00 121.20 118.19 1jba s ILE 76 Ca -0.03 -2.26 -0.11 0.00 -2.23 0.00 0.00 60.65 56.02 1jba s ILE 76 Cb -0.00 -2.48 0.07 0.00 -1.58 0.00 0.00 42.46 38.47 1jba s ILE 76 CO -0.05 -0.64 1.10 -0.62 -1.23 0.00 0.00 174.94 173.49 1jba s ASP 77 N 0.92 4.28 0.25 3.58 2.15 -1.26 -2.23 116.67 124.36 1jba s ASP 77 Ca 0.11 1.82 -0.08 0.00 0.43 0.00 0.00 52.55 54.83 1jba s ASP 77 Cb -0.19 -2.49 0.40 0.00 -0.30 0.00 0.00 42.92 40.34 1jba s ASP 77 CO -0.10 -2.18 1.44 0.33 -0.17 0.00 0.00 175.17 174.49 1jba n PHE 78 N -3.62 0.30 0.22 -5.34 7.35 -1.26 -1.15 117.46 113.96 1jba n PHE 78 Ca 0.09 1.13 -0.14 0.00 -0.76 0.00 0.00 57.45 57.77 1jba n PHE 78 Cb 0.53 -1.02 -0.08 0.00 0.35 0.00 0.00 39.48 39.27 1jba n PHE 78 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jba h LEU 79 N 0.00 -0.50 -0.96 -2.13 4.07 -1.98 -2.25 115.31 111.57 1jba h LEU 79 Ca 0.43 -0.10 0.30 0.00 0.08 0.00 0.00 57.88 58.59 1jba h LEU 79 Cb 0.66 0.13 -0.16 0.00 1.08 0.00 0.00 40.66 42.36 1jba h LEU 79 CO -0.95 -0.13 0.30 -0.33 -1.08 0.00 0.00 178.44 176.25 1jba h GLU 80 N -0.92 0.11 0.39 1.13 5.08 -1.47 0.50 114.58 119.41 1jba h GLU 80 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1jba h GLU 80 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jba h GLU 80 CO 0.10 0.07 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.07 1jba h TYR 81 N 0.12 -0.49 -0.26 4.33 3.20 -1.15 -2.34 116.97 120.38 1jba h TYR 81 Ca 0.66 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.60 1jba h TYR 81 Cb 1.51 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.93 1jba h TYR 81 CO -0.23 -0.16 0.26 0.28 -1.64 0.00 0.00 178.16 176.67 1jba h VAL 82 N -0.86 0.49 -0.30 1.81 2.07 -0.33 0.10 116.25 119.23 1jba h VAL 82 Ca -0.05 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 1jba h VAL 82 Cb 0.54 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1jba h VAL 82 CO 0.09 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.20 1jba h ALA 83 N 1.71 0.46 -0.27 1.67 0.00 0.16 -2.84 119.26 120.15 1jba h ALA 83 Ca 0.12 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1jba h ALA 83 Cb 0.65 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1jba h ALA 83 CO -0.00 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.80 1jba h ALA 84 N 0.69 0.16 0.23 0.00 0.00 -0.25 -2.29 119.26 117.80 1jba h ALA 84 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jba h ALA 84 Cb 1.09 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1jba h ALA 84 CO 0.11 -0.48 -0.38 -0.07 0.00 0.00 0.00 179.25 178.43 1jba h LEU 85 N -0.02 -1.09 -1.95 0.00 3.38 -1.48 0.11 115.31 114.27 1jba h LEU 85 Ca 0.13 0.11 0.49 0.00 0.09 0.00 0.00 57.88 58.70 1jba h LEU 85 Cb 0.22 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1jba h LEU 85 CO -0.29 -0.49 1.24 -1.13 0.09 0.00 0.00 178.44 177.87 1jba h ASN 86 N -0.69 0.00 -0.01 -0.43 -0.73 -1.18 2.80 115.58 115.34 1jba h ASN 86 Ca 0.00 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1jba h ASN 86 Cb 0.67 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.27 1jba h ASN 86 CO -0.16 0.00 -0.32 0.25 -0.37 0.00 0.00 177.43 176.83 1jba h LEU 87 N 0.00 0.30 0.00 0.34 7.12 -0.28 -3.26 115.31 119.52 1jba h LEU 87 Ca 0.80 -0.76 -0.08 0.00 0.13 0.00 0.00 57.88 57.98 1jba h LEU 87 Cb 3.28 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 43.31 1jba h LEU 87 CO -0.01 1.01 -0.94 0.52 -0.13 0.00 0.00 178.44 178.89 1jba n VAL 88 N -4.45 1.47 0.00 1.05 0.31 0.34 -4.66 118.33 112.39 1jba n VAL 88 Ca -0.10 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1jba n VAL 88 Cb 0.53 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1jba n VAL 88 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jba n LEU 89 N -4.51 0.00 -3.59 7.52 -0.00 0.85 -4.85 117.00 112.42 1jba n LEU 89 Ca -0.17 0.67 -0.11 0.00 -0.00 0.00 0.00 56.01 56.39 1jba n LEU 89 Cb 0.45 -0.17 -0.06 0.00 -0.00 0.00 0.00 43.42 43.65 1jba n LEU 89 CO 0.14 -0.17 0.69 -0.60 -0.00 0.00 0.00 177.39 177.45 1jba s ARG 90 N -1.68 0.65 0.00 1.96 6.06 -1.22 -5.00 118.95 119.72 1jba s ARG 90 Ca 0.00 0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.59 1jba s ARG 90 Cb 0.00 0.31 0.00 0.00 0.06 0.00 0.00 34.95 35.32 1jba s ARG 90 CO 0.00 -0.16 0.00 0.41 -2.50 0.00 0.00 175.30 173.05 1jba n GLY 91 N 1.34 -0.49 2.59 8.12 0.00 -1.23 -4.48 105.19 111.04 1jba n GLY 91 Ca -0.12 0.32 -0.24 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 0.00 0.00 0.00 2.61 -1.04 -1.26 -5.04 114.28 109.54 1jba n THR 92 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1jba n THR 92 Cb 0.00 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1jba n THR 92 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1jba n LEU 93 N 0.00 0.00 0.03 -4.42 -0.00 -1.26 -4.76 117.00 106.59 1jba n LEU 93 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.24 1jba n LEU 93 Cb 0.47 -0.20 0.49 0.00 -0.00 0.00 0.00 43.42 44.18 1jba n LEU 93 CO 0.31 -0.44 0.87 -1.84 -0.00 0.00 0.00 177.39 176.29 1jba n GLU 94 N -2.36 0.05 0.33 1.96 0.00 -1.26 -3.69 120.64 115.67 1jba n GLU 94 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 57.16 57.34 1jba n GLU 94 Cb 0.00 -1.57 0.22 0.00 0.00 0.00 0.00 31.44 30.09 1jba n GLU 94 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 1jba h HIS 95 N 0.00 0.00 -0.46 -1.84 2.07 -1.99 0.88 115.15 113.80 1jba h HIS 95 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 1jba h HIS 95 Cb 0.45 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.40 1jba h HIS 95 CO 0.00 0.00 0.12 -0.22 -3.07 0.00 0.00 177.93 174.76 1jba h LYS 96 N 0.00 0.69 0.00 5.12 1.63 -1.93 -2.65 116.57 119.43 1jba h LYS 96 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1jba h LYS 96 Cb 1.63 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1jba h LYS 96 CO 0.00 0.62 0.00 -0.11 -3.45 0.00 0.00 179.45 176.51 1jba n LEU 97 N -4.31 0.00 -0.10 5.20 -0.00 0.30 -0.62 117.00 117.47 1jba n LEU 97 Ca 0.03 0.89 -0.06 0.00 -0.00 0.00 0.00 56.01 56.87 1jba n LEU 97 Cb 0.20 -0.39 0.01 0.00 -0.00 0.00 0.00 43.42 43.24 1jba n LEU 97 CO 0.39 -0.39 0.74 0.50 -0.00 0.00 0.00 177.39 178.63 1jba h LYS 98 N 0.00 -0.10 -0.96 1.96 3.64 -1.74 0.18 116.57 119.56 1jba h LYS 98 Ca 0.00 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.68 1jba h LYS 98 Cb 0.00 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 31.69 1jba h LYS 98 CO 0.00 -0.06 0.42 2.35 -2.27 0.00 0.00 179.45 179.88 1jba h TRP 99 N -0.10 0.67 -0.08 1.91 7.01 -1.16 0.30 115.95 124.50 1jba h TRP 99 Ca 0.18 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1jba h TRP 99 Cb 0.38 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1jba h TRP 99 CO -0.39 -0.22 0.00 1.15 -2.79 0.00 0.00 178.44 176.19 1jba h THR 100 N 0.25 1.24 -0.38 2.65 2.02 0.12 -2.40 112.91 116.41 1jba h THR 100 Ca 0.67 -0.75 0.11 0.00 0.77 0.00 0.00 66.41 67.21 1jba h THR 100 Cb 1.48 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1jba h THR 100 CO -0.65 0.21 0.50 0.15 0.37 0.00 0.00 175.52 176.10 1jba h PHE 101 N -0.14 0.00 0.00 3.16 3.04 0.19 -0.90 116.94 122.29 1jba h PHE 101 Ca 0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1jba h PHE 101 Cb 0.33 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1jba h PHE 101 CO 0.03 0.00 -0.03 0.87 -2.02 0.00 0.00 178.31 177.16 1jba h LYS 102 N 0.00 0.01 -0.57 1.11 1.79 -0.84 -3.33 116.57 114.74 1jba h LYS 102 Ca 0.18 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.74 1jba h LYS 102 Cb 1.19 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 31.74 1jba h LYS 102 CO -0.00 0.95 -0.11 0.82 -1.08 0.00 0.00 179.45 180.02 1jba h ILE 103 N -0.91 0.45 0.00 1.86 1.08 -0.94 0.51 117.51 119.56 1jba h ILE 103 Ca -0.01 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1jba h ILE 103 Cb 0.96 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1jba h ILE 103 CO 0.01 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 176.25 1jba n TYR 104 N -5.37 0.00 -3.36 1.37 4.01 -1.06 -4.19 117.16 108.56 1jba n TYR 104 Ca 0.07 -0.23 -0.15 0.00 -0.16 0.00 0.00 57.90 57.42 1jba n TYR 104 Cb 0.31 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.10 1jba n TYR 104 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jba s ASP 105 N 0.74 1.16 -0.21 7.72 1.11 0.18 -4.62 116.67 122.74 1jba s ASP 105 Ca 0.00 -1.04 0.14 0.00 0.18 0.00 0.00 52.55 51.84 1jba s ASP 105 Cb 0.00 0.67 0.45 0.00 1.07 0.00 0.00 42.92 45.11 1jba s ASP 105 CO 0.00 -0.32 1.34 2.29 1.18 0.00 0.00 175.17 179.66 1jba n LYS 106 N 4.85 2.02 0.00 8.23 2.85 -1.26 -4.68 118.16 130.17 1jba n LYS 106 Ca 0.04 -2.95 0.00 0.00 -1.05 0.00 0.00 58.31 54.35 1jba n LYS 106 Cb 0.47 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jba n ASP 107 N -1.01 0.00 0.10 -5.58 5.68 -1.26 -4.94 116.55 109.54 1jba n ASP 107 Ca 0.24 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.60 1jba n ASP 107 Cb 0.85 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.82 1jba n ASP 107 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1jba h ARG 108 N 0.00 0.00 0.00 0.11 0.11 -1.91 -3.46 114.38 109.23 1jba h ARG 108 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jba h ARG 108 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1jba h ARG 108 CO 0.00 0.11 0.00 0.09 0.10 0.00 0.00 179.97 180.27 1jba n ASN 109 N -2.80 0.00 0.28 0.08 3.02 -1.26 -4.57 115.26 110.00 1jba n ASN 109 Ca -0.02 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.71 1jba n ASN 109 Cb 0.64 -1.34 0.80 0.00 -0.61 0.00 0.00 39.78 39.28 1jba n ASN 109 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1jba h GLY 110 N 0.00 0.00 -3.01 7.41 0.00 -1.96 -3.44 103.07 102.07 1jba h GLY 110 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1jba h GLY 110 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.39 1jba s ILE 112 N -3.84 3.19 0.07 0.00 1.01 -0.43 -4.84 121.20 116.36 1jba s ILE 112 Ca 0.05 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.22 1jba s ILE 112 Cb 0.02 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1jba s ILE 112 CO -0.10 0.48 -0.27 -0.62 0.00 0.00 0.00 174.94 174.44 1jba s ASP 113 N 0.88 3.20 0.62 3.58 2.15 -1.26 -2.31 116.67 123.53 1jba s ASP 113 Ca -0.02 -0.63 0.06 0.00 0.43 0.00 0.00 52.55 52.38 1jba s ASP 113 Cb -0.15 -0.27 0.33 0.00 -0.30 0.00 0.00 42.92 42.53 1jba s ASP 113 CO 0.00 0.24 1.16 -0.09 -0.17 0.00 0.00 175.17 176.31 1jba h ARG 114 N 4.55 0.00 -0.15 4.34 2.43 -1.97 1.51 114.38 125.09 1jba h ARG 114 Ca -0.48 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.55 1jba h ARG 114 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1jba h ARG 114 CO 0.42 0.00 -0.45 1.96 -1.51 0.00 0.00 179.97 180.39 1jba h GLN 115 N 0.00 0.57 0.00 0.20 4.20 -1.99 -2.78 115.11 115.31 1jba h GLN 115 Ca 0.00 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.23 1jba h GLN 115 Cb 1.66 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1jba h GLN 115 CO 0.00 1.04 -0.30 0.93 -0.67 0.00 0.00 178.83 179.83 1jba h GLU 116 N 0.21 0.00 0.32 1.46 5.08 0.18 -2.86 114.58 118.97 1jba h GLU 116 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jba h GLU 116 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1jba h GLU 116 CO 0.10 0.30 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.18 1jba h LEU 117 N 0.00 -0.36 -0.96 1.33 -0.00 -1.26 -2.76 115.31 111.30 1jba h LEU 117 Ca -0.00 0.01 0.27 0.00 -0.00 0.00 0.00 57.88 58.16 1jba h LEU 117 Cb 0.64 0.09 -0.14 0.00 -0.00 0.00 0.00 40.66 41.25 1jba h LEU 117 CO 0.04 -0.23 0.48 0.25 -0.00 0.00 0.00 178.44 178.98 1jba h LEU 118 N -0.49 0.43 -0.27 1.67 6.46 -1.51 0.81 115.31 122.42 1jba h LEU 118 Ca -0.04 0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1jba h LEU 118 Cb 0.33 0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 1jba h LEU 118 CO 0.07 -0.05 -0.15 -0.78 -0.62 0.00 0.00 178.44 176.91 1jba h ASP 119 N 0.38 -0.50 0.15 1.25 1.82 -1.42 0.22 116.42 118.33 1jba h ASP 119 Ca 0.65 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 57.39 1jba h ASP 119 Cb 1.35 0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1jba h ASP 119 CO -0.57 -0.19 -0.07 0.40 -1.61 0.00 0.00 179.24 177.20 1jba h ILE 120 N -0.12 0.00 -0.93 2.25 1.08 -0.56 -2.15 117.51 117.07 1jba h ILE 120 Ca 0.14 -0.05 0.26 0.00 -0.39 0.00 0.00 64.86 64.83 1jba h ILE 120 Cb 0.34 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.95 1jba h ILE 120 CO -0.34 0.00 0.39 -0.37 -0.69 0.00 0.00 178.15 177.14 1jba h VAL 121 N -0.26 0.34 -0.48 1.67 -1.51 -1.46 1.91 116.25 116.46 1jba h VAL 121 Ca -0.02 -0.10 0.07 0.00 -1.23 0.00 0.00 66.70 65.41 1jba h VAL 121 Cb 0.16 0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.31 1jba h VAL 121 CO 0.03 0.05 0.32 -0.08 -1.23 0.00 0.00 177.57 176.67 1jba h GLU 122 N 0.29 0.37 -0.05 5.19 4.81 -0.53 0.30 114.58 124.96 1jba h GLU 122 Ca 0.62 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.66 1jba h GLU 122 Cb 1.31 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1jba h GLU 122 CO -0.62 0.24 -0.73 1.03 -0.73 0.00 0.00 179.01 178.20 1jba h SER 123 N 0.38 0.34 -0.01 1.04 0.87 0.36 -2.74 113.55 113.80 1jba h SER 123 Ca 0.21 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1jba h SER 123 Cb 0.35 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1jba h SER 123 CO -0.05 0.96 -0.24 0.40 -0.53 0.00 0.00 176.83 177.37 1jba h ILE 124 N 0.19 1.54 -0.49 2.23 5.03 0.52 -2.73 117.51 123.79 1jba h ILE 124 Ca -0.03 -1.91 0.06 0.00 -0.12 0.00 0.00 64.86 62.87 1jba h ILE 124 Cb 1.30 2.72 -0.05 0.00 -3.03 0.00 0.00 36.82 37.76 1jba h ILE 124 CO 0.12 0.52 0.20 1.88 -0.68 0.00 0.00 178.15 180.19 1jba h TYR 125 N -0.49 0.36 0.66 1.37 0.05 -0.58 0.49 116.97 118.84 1jba h TYR 125 Ca -0.03 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1jba h TYR 125 Cb 0.98 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1jba h TYR 125 CO 0.17 0.14 -0.37 0.87 -1.05 0.00 0.00 178.16 177.93 1jba h LYS 126 N 0.39 -0.92 -0.49 4.88 1.79 -1.56 -2.00 116.57 118.67 1jba h LYS 126 Ca 0.23 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.86 1jba h LYS 126 Cb 0.21 0.21 -0.10 0.00 -1.58 0.00 0.00 32.23 30.97 1jba h LYS 126 CO -0.21 -0.62 -0.19 1.25 -1.08 0.00 0.00 179.45 178.60 1jba h LEU 127 N -0.96 -0.66 -1.83 2.94 7.12 -1.18 0.50 115.31 121.24 1jba h LEU 127 Ca -0.09 0.17 0.27 0.00 0.13 0.00 0.00 57.88 58.36 1jba h LEU 127 Cb 0.76 0.38 -0.05 0.00 -0.53 0.00 0.00 40.66 41.22 1jba h LEU 127 CO 0.11 -0.22 0.68 0.50 -0.13 0.00 0.00 178.44 179.38 1jba h LYS 128 N -0.08 0.12 0.48 1.25 3.64 -0.61 -2.01 116.57 119.36 1jba h LYS 128 Ca 0.23 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1jba h LYS 128 Cb 0.44 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1jba h LYS 128 CO -0.54 0.08 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.27 1jba h LYS 129 N 0.12 -0.63 -0.70 1.90 3.64 0.74 -2.86 116.57 118.79 1jba h LYS 129 Ca 0.48 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1jba h LYS 129 Cb 1.69 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1jba h LYS 129 CO -0.08 -0.42 0.00 0.00 -2.27 0.00 0.00 179.45 176.69 1jba n ALA 130 N -2.53 1.80 -0.75 5.00 0.00 -0.82 -3.97 120.51 119.25 1jba n ALA 130 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jba n ALA 130 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.87 -0.22 -1.72 0.00 3.41 -1.25 -5.12 113.62 107.84 1jba n SER 132 Ca 0.00 -0.61 -0.06 0.00 -0.26 0.00 0.00 58.87 57.93 1jba n SER 132 Cb 0.00 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jba n VAL 133 N -0.08 0.00 -0.00 -3.33 0.24 -1.26 -5.11 118.33 108.78 1jba n VAL 133 Ca -0.05 -0.78 -0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1jba n VAL 133 Cb 0.40 0.40 -0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1jba n VAL 133 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jba n GLU 134 N -0.21 0.03 -3.18 7.34 1.02 -1.26 -4.91 120.64 119.47 1jba n GLU 134 Ca 0.02 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 1jba n GLU 134 Cb 0.20 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 -2.54 -2.00 -0.30 2.62 3.14 -1.26 -4.79 118.33 113.22 1jba n VAL 135 Ca -0.01 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1jba n VAL 135 Cb 0.02 -1.79 -0.10 0.00 -1.06 0.00 0.00 33.84 30.92 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 0.37 -0.16 -0.85 1.45 4.39 -2.01 -3.43 114.58 114.34 1jba h GLU 136 Ca -0.39 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.17 1jba h GLU 136 Cb 0.85 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 1jba h GLU 136 CO 0.21 -0.11 -0.14 0.00 -1.16 0.00 0.00 179.01 177.82 1jba n ALA 137 N -3.17 -0.11 -2.05 3.43 0.00 -1.26 -4.78 120.51 112.56 1jba n ALA 137 Ca -0.00 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1jba n ALA 137 Cb 0.29 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1jba n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jba n GLU 138 N -0.87 2.76 -1.75 0.00 1.02 -1.26 -4.36 120.64 116.18 1jba n GLU 138 Ca -0.07 -2.79 -0.05 0.00 -0.02 0.00 0.00 57.16 54.23 1jba n GLU 138 Cb 0.36 -3.38 -0.01 0.00 -0.02 0.00 0.00 31.44 28.39 1jba n GLU 138 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jba n GLN 139 N 7.30 -1.84 -2.59 3.49 6.02 -1.26 -4.87 117.38 123.64 1jba n GLN 139 Ca 0.50 0.25 -0.27 0.00 -0.01 0.00 0.00 57.00 57.47 1jba n GLN 139 Cb 0.43 -4.54 0.01 0.00 1.02 0.00 0.00 30.24 27.16 1jba n GLN 139 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1jba s GLN 140 N -3.59 3.31 0.00 -1.09 0.74 -1.26 -4.94 119.66 112.83 1jba s GLN 140 Ca 0.00 0.08 0.24 0.00 0.05 0.00 0.00 55.36 55.73 1jba s GLN 140 Cb 0.00 -2.36 1.37 0.00 1.10 0.00 0.00 33.01 33.12 1jba s GLN 140 CO 0.00 -0.36 1.78 0.41 -0.55 0.00 0.00 175.29 176.57 1jba n GLY 141 N -2.35 -0.81 0.00 2.59 0.00 -1.26 -4.02 105.19 99.34 1jba n GLY 141 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.06 0.00 -0.03 1.61 4.76 -1.26 -4.88 118.16 117.29 1jba n LYS 142 Ca 0.16 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1jba n LYS 142 Cb 0.10 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jba n LEU 143 N -1.17 0.00 0.00 -0.35 4.77 -1.26 -5.12 117.00 113.87 1jba n LEU 143 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jba n LEU 143 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jba n LEU 143 CO 0.00 -0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.04 1jba n LEU 144 N 0.00 0.00 -4.16 2.23 -0.00 -1.26 -4.90 117.00 108.91 1jba n LEU 144 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 1jba n LEU 144 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1jba n LEU 144 CO 0.00 0.00 -0.45 0.42 -0.00 0.00 0.00 177.39 177.36 1jba s THR 145 N 1.43 1.05 0.65 1.47 -4.23 -1.26 -4.89 115.64 109.86 1jba s THR 145 Ca 0.00 -1.29 0.36 0.00 -1.18 0.00 0.00 61.69 59.58 1jba s THR 145 Cb 0.00 -1.03 0.38 0.00 1.34 0.00 0.00 72.50 73.19 1jba s THR 145 CO 0.00 -0.25 2.16 -0.65 -0.54 0.00 0.00 174.62 175.34 1jba h PRO 146 N 4.30 0.00 0.00 3.99 0.10 -1.98 0.88 132.00 139.29 1jba h PRO 146 Ca -0.40 0.00 -0.12 0.00 0.10 0.00 0.00 66.00 65.57 1jba h PRO 146 Cb 1.19 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.27 1jba h PRO 146 CO 0.40 0.00 -0.59 1.49 0.10 0.00 0.00 178.00 179.40 1jba h GLU 147 N 0.00 0.00 0.00 1.05 4.57 -1.99 -3.16 114.58 115.05 1jba h GLU 147 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1jba h GLU 147 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1jba h GLU 147 CO -0.00 0.59 0.00 -1.91 -1.18 0.00 0.00 179.01 176.51 1jba n GLU 148 N -3.33 0.00 -0.29 1.92 2.13 0.30 -1.86 120.64 119.51 1jba n GLU 148 Ca 0.01 0.49 0.09 0.00 0.66 0.00 0.00 57.16 58.41 1jba n GLU 148 Cb 0.73 -1.26 0.22 0.00 0.27 0.00 0.00 31.44 31.40 1jba n GLU 148 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1jba h VAL 149 N 0.00 0.25 -0.84 6.31 -1.51 -1.72 0.78 116.25 119.51 1jba h VAL 149 Ca 0.00 -0.03 0.05 0.00 -1.23 0.00 0.00 66.70 65.49 1jba h VAL 149 Cb 0.00 0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 29.25 1jba h VAL 149 CO 0.00 0.02 0.55 0.58 -1.23 0.00 0.00 177.57 177.49 1jba h VAL 150 N 0.10 1.09 0.00 7.19 2.07 -1.63 0.54 116.25 125.62 1jba h VAL 150 Ca 0.49 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 1jba h VAL 150 Cb 0.93 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1jba h VAL 150 CO -0.74 0.18 -0.44 -0.78 0.02 0.00 0.00 177.57 175.82 1jba h ASP 151 N 0.99 0.00 0.67 0.57 1.82 0.13 -2.33 116.42 118.26 1jba h ASP 151 Ca 0.35 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.73 1jba h ASP 151 Cb 0.14 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 1jba h ASP 151 CO -0.12 0.44 -1.41 -0.09 -1.61 0.00 0.00 179.24 176.45 1jba h ARG 152 N 0.00 0.06 -0.43 0.28 9.65 0.67 -2.72 114.38 121.88 1jba h ARG 152 Ca -0.00 -0.09 -0.14 0.00 -1.10 0.00 0.00 59.98 58.64 1jba h ARG 152 Cb 0.86 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 1jba h ARG 152 CO 0.06 0.82 -0.29 0.82 2.80 0.00 0.00 179.97 184.17 1jba h ILE 153 N 0.02 1.27 -0.02 1.20 2.04 0.13 -0.32 117.51 121.83 1jba h ILE 153 Ca -0.18 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 1jba h ILE 153 Cb 1.92 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1jba h ILE 153 CO 0.11 0.50 -0.25 0.15 0.00 0.00 0.00 178.15 178.66 1jba h PHE 154 N 0.80 0.29 0.20 1.37 3.04 -1.53 -2.63 116.94 118.47 1jba h PHE 154 Ca 0.09 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1jba h PHE 154 Cb 0.88 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1jba h PHE 154 CO 0.06 0.91 -0.10 1.25 -2.02 0.00 0.00 178.31 178.41 1jba h LEU 155 N -0.42 -0.23 -0.90 0.59 5.85 -1.51 2.20 115.31 120.89 1jba h LEU 155 Ca -0.03 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.73 1jba h LEU 155 Cb 0.96 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.97 1jba h LEU 155 CO 0.05 -0.07 0.53 0.25 -0.34 0.00 0.00 178.44 178.86 1jba h LEU 156 N -0.37 0.75 0.09 2.25 5.85 -1.16 -2.86 115.31 119.86 1jba h LEU 156 Ca -0.03 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1jba h LEU 156 Cb 0.29 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1jba h LEU 156 CO 0.04 0.40 -0.90 0.58 -0.34 0.00 0.00 178.44 178.22 1jba h VAL 157 N 0.84 1.34 0.00 1.05 2.07 -1.21 -3.46 116.25 116.88 1jba h VAL 157 Ca 0.45 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1jba h VAL 157 Cb 0.47 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1jba h VAL 157 CO -0.28 0.64 0.00 -0.67 0.02 0.00 0.00 177.57 177.29 1jba n ASP 158 N -4.19 0.00 0.00 0.57 2.03 0.74 -4.58 116.55 111.12 1jba n ASP 158 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1jba n ASP 158 Cb 0.76 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.00 0.09 -0.67 2.13 -1.24 -4.90 120.64 116.05 1jba n GLU 159 Ca 0.00 0.24 0.11 0.00 0.66 0.00 0.00 57.16 58.18 1jba n GLU 159 Cb 0.00 -3.44 -0.03 0.00 0.27 0.00 0.00 31.44 28.24 1jba n GLU 159 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jba n ASN 160 N 0.97 0.73 -2.63 4.31 4.13 -1.26 -5.02 115.26 116.49 1jba n ASN 160 Ca 0.00 0.28 -0.05 0.00 1.68 0.00 0.00 54.58 56.49 1jba n ASN 160 Cb 0.00 0.67 0.01 0.00 -1.54 0.00 0.00 39.78 38.92 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 161 N 1.19 -1.17 2.00 7.41 0.00 -1.26 -5.00 105.19 108.36 1jba n GLY 161 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.60 -0.14 0.00 1.61 5.75 -1.26 -5.10 116.55 116.82 1jba n ASP 162 Ca 0.08 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1jba n ASP 162 Cb 0.40 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jba n GLY 163 N 1.46 -0.42 3.17 6.12 0.00 -1.26 -5.14 105.19 109.11 1jba n GLY 163 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.85 -0.63 1.61 -0.21 -1.26 -5.10 119.66 114.92 1jba s GLN 164 Ca 0.00 -1.35 -0.25 0.00 0.02 0.00 0.00 55.36 53.78 1jba s GLN 164 Cb 0.00 -0.16 0.04 0.00 1.00 0.00 0.00 33.01 33.89 1jba s GLN 164 CO 0.00 -0.05 1.09 -1.17 -2.12 0.00 0.00 175.29 173.04 1jba s LEU 165 N -3.05 3.78 0.68 2.90 2.96 -0.98 -4.95 118.68 120.03 1jba s LEU 165 Ca 0.13 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1jba s LEU 165 Cb 0.06 -2.74 0.09 0.00 0.50 0.00 0.00 46.19 44.10 1jba s LEU 165 CO -0.04 -1.49 0.95 -0.55 -1.32 0.00 0.00 176.35 173.90 1jba s SER 166 N 3.28 4.65 0.08 3.68 0.15 -1.26 -1.31 113.70 122.97 1jba s SER 166 Ca 0.32 -0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.64 1jba s SER 166 Cb -0.11 -0.50 -0.17 0.00 -1.71 0.00 0.00 66.02 63.53 1jba s SER 166 CO 0.17 -1.64 1.67 0.25 1.20 0.00 0.00 173.24 174.89 1jba h LEU 167 N -0.42 -0.28 -0.76 3.45 5.85 -1.95 -1.03 115.31 120.17 1jba h LEU 167 Ca -0.40 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.47 1jba h LEU 167 Cb 1.28 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.25 1jba h LEU 167 CO 0.47 -0.18 -0.09 -1.13 -0.34 0.00 0.00 178.44 177.18 1jba h ASN 168 N -0.35 -0.52 -0.17 1.25 -0.73 -2.00 0.46 115.58 113.52 1jba h ASN 168 Ca -0.03 0.21 -0.09 0.00 1.87 0.00 0.00 56.30 58.26 1jba h ASN 168 Cb 0.27 0.41 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1jba h ASN 168 CO 0.06 -0.22 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.40 1jba h GLU 169 N 0.05 0.58 0.00 6.67 5.08 -1.89 -2.47 114.58 122.60 1jba h GLU 169 Ca 0.39 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1jba h GLU 169 Cb 0.66 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1jba h GLU 169 CO -0.72 0.72 0.00 0.34 -1.00 0.00 0.00 179.01 178.34 1jba n PHE 170 N -4.16 0.00 -0.37 4.33 -0.00 0.15 -0.52 117.46 116.89 1jba n PHE 170 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.74 1jba n PHE 170 Cb 0.36 -0.43 0.56 0.00 -0.00 0.00 0.00 39.48 39.97 1jba n PHE 170 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 1jba h VAL 171 N 0.00 0.35 0.00 -2.13 -1.51 -1.33 2.80 116.25 114.43 1jba h VAL 171 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1jba h VAL 171 Cb 0.00 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.22 1jba h VAL 171 CO 0.00 0.05 0.00 -0.08 -1.23 0.00 0.00 177.57 176.31 1jba h GLU 172 N 0.26 0.00 0.00 5.19 4.57 -1.28 0.17 114.58 123.50 1jba h GLU 172 Ca 0.69 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.69 1jba h GLU 172 Cb 1.94 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.49 1jba h GLU 172 CO -0.37 0.00 -1.73 0.41 -1.18 0.00 0.00 179.01 176.14 1jba n GLY 173 N 0.49 -0.53 0.14 1.92 0.00 0.75 -4.36 105.19 103.60 1jba n GLY 173 Ca 0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.36 0.97 0.48 4.61 0.00 0.77 -3.85 120.51 121.12 1jba n ALA 174 Ca -0.16 -0.67 0.08 0.00 0.00 0.00 0.00 53.44 52.69 1jba n ALA 174 Cb 0.81 -0.58 0.34 0.00 0.00 0.00 0.00 19.45 20.02 1jba n ALA 174 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jba n ARG 175 N -3.51 0.03 0.01 0.00 0.63 0.05 -2.75 116.66 111.11 1jba n ARG 175 Ca -0.34 0.28 -0.19 0.00 -0.92 0.00 0.00 57.85 56.67 1jba n ARG 175 Cb 1.02 -1.56 -0.14 0.00 0.45 0.00 0.00 32.46 32.23 1jba n ARG 175 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jba h ARG 176 N 0.00 0.21 -5.70 -0.14 3.08 -1.69 -3.45 114.38 106.69 1jba h ARG 176 Ca 0.00 -0.36 -0.65 0.00 0.07 0.00 0.00 59.98 59.04 1jba h ARG 176 Cb 0.27 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 1jba h ARG 176 CO 0.00 1.17 -0.41 -0.51 -1.07 0.00 0.00 179.97 179.15 1jba s ASP 177 N -6.84 6.48 -0.22 7.04 1.11 -1.11 -4.98 116.67 118.15 1jba s ASP 177 Ca -0.17 0.57 0.05 0.00 0.18 0.00 0.00 52.55 53.18 1jba s ASP 177 Cb 0.01 -2.12 0.44 0.00 1.07 0.00 0.00 42.92 42.33 1jba s ASP 177 CO 0.77 0.36 1.43 0.29 1.18 0.00 0.00 175.17 179.21 1jba n LYS 178 N 2.11 2.42 -0.00 8.23 4.01 -1.26 -3.85 118.16 129.81 1jba n LYS 178 Ca -0.18 -1.85 0.00 0.00 -0.51 0.00 0.00 58.31 55.77 1jba n LYS 178 Cb 0.54 -1.82 -0.01 0.00 -0.51 0.00 0.00 35.03 33.23 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1jba n TRP 179 N -0.13 0.00 0.16 2.13 -0.00 -1.26 -4.66 117.44 113.67 1jba n TRP 179 Ca 0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.72 1jba n TRP 179 Cb 1.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 31.31 32.28 1jba n TRP 179 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1jba h VAL 180 N 0.00 0.00 -0.96 5.87 2.07 -1.85 0.21 116.25 121.58 1jba h VAL 180 Ca -0.02 -0.09 0.27 0.00 0.82 0.00 0.00 66.70 67.69 1jba h VAL 180 Cb 0.48 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.07 1jba h VAL 180 CO 0.00 0.00 0.05 1.15 0.02 0.00 0.00 177.57 178.79 1jba n MET 181 N -3.37 -0.08 0.15 1.57 -0.00 -1.26 0.15 117.12 114.29 1jba n MET 181 Ca -0.05 1.43 -0.07 0.00 -0.00 0.00 0.00 57.70 59.01 1jba n MET 181 Cb 0.16 -2.29 -0.03 0.00 -0.00 0.00 0.00 33.22 31.06 1jba n MET 181 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1jba h LYS 182 N 0.00 -0.42 -1.03 3.17 1.57 -1.81 -0.95 116.57 117.09 1jba h LYS 182 Ca 0.59 0.03 0.30 0.00 -1.87 0.00 0.00 60.65 59.70 1jba h LYS 182 Cb 1.25 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.61 1jba h LYS 182 CO -0.89 -0.28 0.74 1.98 -0.57 0.00 0.00 179.45 180.42 1jba h MET 183 N -0.83 0.04 0.04 3.15 4.05 0.57 0.29 114.93 122.24 1jba h MET 183 Ca -0.04 -0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.11 1jba h MET 183 Cb 0.34 -0.01 0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1jba h MET 183 CO 0.07 0.03 -1.08 -0.07 0.23 0.00 0.00 176.91 176.09 1jba h LEU 184 N 0.04 0.78 0.00 3.39 3.38 0.14 -3.41 115.31 119.64 1jba h LEU 184 Ca 0.50 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jba h LEU 184 Cb 1.92 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1jba h LEU 184 CO -0.03 1.46 0.00 1.67 0.09 0.00 0.00 178.44 181.63 1jba n GLN 185 N -3.79 0.00 -4.35 1.13 7.27 0.83 -5.01 117.38 113.46 1jba n GLN 185 Ca -0.10 0.21 -0.29 0.00 0.07 0.00 0.00 57.00 56.88 1jba n GLN 185 Cb 0.90 -0.64 -0.05 0.00 2.41 0.00 0.00 30.24 32.86 1jba n GLN 185 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1jba n MET 186 N -1.63 0.82 0.00 3.69 0.00 -0.00 -5.05 117.12 114.96 1jba n MET 186 Ca 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 57.70 54.27 1jba n MET 186 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 33.22 34.03 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jba n ASP 187 N -1.40 0.00 0.00 6.12 8.00 -1.26 -3.73 116.55 124.28 1jba n ASP 187 Ca -0.16 -0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 1jba n ASP 187 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 1jba n ASP 187 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1jba h LEU 188 N 0.00 -0.09 -0.02 0.64 3.38 -1.96 -3.21 115.31 114.04 1jba h LEU 188 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jba h LEU 188 Cb 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jba h LEU 188 CO 0.00 -0.03 -0.01 0.78 0.09 0.00 0.00 178.44 179.27 1jba h ASN 189 N -0.03 0.04 0.00 -0.43 4.21 -2.03 -3.56 115.58 113.78 1jba h ASN 189 Ca 0.00 -0.44 0.00 0.00 1.21 0.00 0.00 56.30 57.07 1jba h ASN 189 Cb 0.04 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1jba h ASN 189 CO -0.02 0.47 0.00 -2.65 -1.29 0.00 0.00 177.43 173.94