#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba s GLN 3 N 0.00 2.49 0.00 1.61 0.00 -1.26 -5.09 119.66 117.41 1jba s GLN 3 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 55.36 55.62 1jba s GLN 3 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 33.01 30.99 1jba s GLN 3 CO 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 175.29 174.05 1jba n GLN 4 N -3.09 1.56 0.09 9.60 0.00 -1.26 -5.08 117.38 119.20 1jba n GLN 4 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.07 1jba n GLN 4 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.83 1jba n GLN 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1jba n PHE 5 N -0.71 -2.05 -1.74 2.61 7.35 -1.26 -5.09 117.46 116.58 1jba n PHE 5 Ca 0.00 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1jba n PHE 5 Cb 0.00 1.08 0.00 0.00 0.35 0.00 0.00 39.48 40.91 1jba n PHE 5 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1jba n SER 6 N -3.03 0.00 -4.32 -2.13 7.64 -1.26 -4.42 113.62 106.11 1jba n SER 6 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1jba n SER 6 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.37 1jba n SER 6 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1jba s TRP 7 N 0.00 1.82 0.11 1.43 0.52 -1.26 -4.93 118.94 116.62 1jba s TRP 7 Ca 0.00 0.50 -0.16 0.00 0.02 0.00 0.00 56.10 56.46 1jba s TRP 7 Cb 0.00 -3.81 -0.05 0.00 -1.15 0.00 0.00 33.47 28.46 1jba s TRP 7 CO 0.00 -2.62 1.54 0.93 0.02 0.00 0.00 176.95 176.82 1jba h GLU 8 N -1.65 0.61 -0.10 4.98 5.08 -2.00 -2.86 114.58 118.65 1jba h GLU 8 Ca -0.46 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 57.73 1jba h GLU 8 Cb 1.27 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1jba h GLU 8 CO 0.46 0.75 -0.47 0.93 -1.00 0.00 0.00 179.01 179.68 1jba h GLU 9 N 0.41 -0.53 -1.01 2.33 5.08 -1.93 0.25 114.58 119.18 1jba h GLU 9 Ca 0.09 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.73 1jba h GLU 9 Cb 0.49 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.74 1jba h GLU 9 CO 0.02 -0.36 0.61 0.00 -1.00 0.00 0.00 179.01 178.28 1jba h ALA 10 N -0.08 1.84 -0.08 3.43 0.00 -1.87 1.23 119.26 123.73 1jba h ALA 10 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1jba h ALA 10 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jba h ALA 10 CO -0.40 -0.30 -0.14 0.93 0.00 0.00 0.00 179.25 179.35 1jba h GLU 11 N 0.57 0.12 -0.65 0.00 4.39 -0.36 -1.70 114.58 116.95 1jba h GLU 11 Ca 0.63 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1jba h GLU 11 Cb 1.23 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1jba h GLU 11 CO -0.45 0.27 0.00 -1.91 -1.16 0.00 0.00 179.01 175.76 1jba n GLU 12 N -4.31 3.33 -3.53 2.33 4.07 0.38 -4.95 120.64 117.96 1jba n GLU 12 Ca -0.01 -2.77 -0.29 0.00 -0.06 0.00 0.00 57.16 54.03 1jba n GLU 12 Cb 0.25 -1.75 -0.04 0.00 -0.06 0.00 0.00 31.44 29.84 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 -0.98 6.44 0.00 4.31 0.01 0.12 -5.03 114.94 119.82 1jba s ASN 13 Ca 0.49 0.59 0.00 0.00 -0.71 0.00 0.00 52.86 53.23 1jba s ASN 13 Cb 0.29 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.86 1jba s ASN 13 CO 0.27 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1jba n GLY 14 N -0.60 -0.46 3.66 0.66 0.00 -1.26 -4.88 105.19 102.31 1jba n GLY 14 Ca -0.03 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ALA 15 N -3.37 3.68 0.00 4.61 0.00 -1.26 -4.63 121.76 120.79 1jba s ALA 15 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1jba s ALA 15 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1jba s ALA 15 CO 0.00 -1.07 0.00 1.55 0.00 0.00 0.00 175.76 176.24 1jba n VAL 16 N 5.35 0.00 -0.30 0.00 3.14 -1.26 -4.96 118.33 120.30 1jba n VAL 16 Ca 0.12 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.47 1jba n VAL 16 Cb 0.46 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.20 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 0.00 1.55 0.00 7.55 0.00 -1.26 -2.88 105.19 110.14 1jba n GLY 17 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 2.45 2.02 -0.29 4.61 0.00 -1.26 -4.28 120.51 123.77 1jba n ALA 18 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1jba n ALA 18 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.59 2.71 -1.00 0.00 0.00 -1.14 -4.70 120.51 114.79 1jba n ALA 19 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 19 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1jba n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jba n ASP 20 N -2.07 0.00 -0.32 0.00 8.00 -1.26 -1.81 116.55 119.09 1jba n ASP 20 Ca 0.00 0.30 0.26 0.00 0.71 0.00 0.00 54.79 56.06 1jba n ASP 20 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.59 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jba n ALA 21 N -1.54 0.85 -0.32 2.24 0.00 -1.26 0.20 120.51 120.68 1jba n ALA 21 Ca 0.00 1.00 0.11 0.00 0.00 0.00 0.00 53.44 54.55 1jba n ALA 21 Cb 0.00 -0.92 0.28 0.00 0.00 0.00 0.00 19.45 18.81 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 1.94 1.47 -0.27 0.00 0.00 -1.72 0.22 119.26 120.89 1jba h ALA 22 Ca 0.75 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.60 1jba h ALA 22 Cb 1.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1jba h ALA 22 CO -0.79 -0.12 -0.47 0.37 0.00 0.00 0.00 179.25 178.23 1jba h GLN 23 N 0.64 0.72 0.00 0.00 5.75 0.31 -2.49 115.11 120.04 1jba h GLN 23 Ca 0.53 -0.41 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1jba h GLN 23 Cb 0.84 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.42 1jba h GLN 23 CO -0.40 1.03 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.70 1jba h LEU 24 N 0.57 0.00 0.14 -2.39 -0.00 -0.16 -1.45 115.31 112.02 1jba h LEU 24 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1jba h LEU 24 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1jba h LEU 24 CO 0.10 0.05 -0.07 -0.61 -0.00 0.00 0.00 178.44 177.91 1jba h GLN 25 N 0.00 -0.18 -0.18 1.13 4.15 -0.65 -1.34 115.11 118.03 1jba h GLN 25 Ca -0.00 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.49 1jba h GLN 25 Cb 0.12 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1jba h GLN 25 CO 0.01 -0.12 0.64 1.49 -1.93 0.00 0.00 178.83 178.91 1jba h GLU 26 N -0.57 0.00 0.00 1.69 4.57 -1.36 1.59 114.58 120.50 1jba h GLU 26 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1jba h GLU 26 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1jba h GLU 26 CO 0.03 0.00 -0.00 -1.49 -1.18 0.00 0.00 179.01 176.37 1jba h TRP 27 N 0.00 -0.00 0.00 0.92 4.06 -1.20 -2.55 115.95 117.18 1jba h TRP 27 Ca 0.09 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1jba h TRP 27 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1jba h TRP 27 CO 0.00 -0.00 0.00 -0.92 -3.56 0.00 0.00 178.44 173.96 1jba h TYR 28 N -0.01 0.00 0.34 0.49 5.03 -0.33 -2.29 116.97 120.19 1jba h TYR 28 Ca -0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1jba h TYR 28 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1jba h TYR 28 CO 0.03 0.00 -0.16 -0.22 -1.32 0.00 0.00 178.16 176.49 1jba h LYS 29 N 0.00 -0.44 -0.06 1.82 1.63 0.22 -2.28 116.57 117.46 1jba h LYS 29 Ca 0.00 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1jba h LYS 29 Cb 0.25 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1jba h LYS 29 CO 0.00 -0.27 0.09 -0.22 -3.45 0.00 0.00 179.45 175.60 1jba h LYS 30 N -1.11 0.00 -0.09 1.90 3.64 -1.31 0.11 116.57 119.72 1jba h LYS 30 Ca -0.05 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1jba h LYS 30 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1jba h LYS 30 CO 0.08 0.00 -0.34 0.35 -2.27 0.00 0.00 179.45 177.26 1jba h PHE 31 N 0.00 0.51 -0.00 1.91 3.57 -1.40 -3.13 116.94 118.40 1jba h PHE 31 Ca 0.03 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1jba h PHE 31 Cb 0.21 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1jba h PHE 31 CO 0.00 0.95 -0.12 1.28 -2.23 0.00 0.00 178.31 178.19 1jba n LEU 32 N -4.39 0.16 0.29 0.59 4.77 -0.63 -3.29 117.00 114.50 1jba n LEU 32 Ca -0.08 0.31 0.17 0.00 -0.03 0.00 0.00 56.01 56.38 1jba n LEU 32 Cb 0.51 -0.39 0.82 0.00 -2.33 0.00 0.00 43.42 42.03 1jba n LEU 32 CO 0.42 0.04 1.02 -0.08 -1.33 0.00 0.00 177.39 177.47 1jba h GLU 33 N 0.06 0.00 -0.03 3.23 4.57 -0.76 -0.88 114.58 120.78 1jba h GLU 33 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jba h GLU 33 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1jba h GLU 33 CO 0.00 0.05 -0.04 -1.91 -1.18 0.00 0.00 179.01 175.93 1jba n GLU 34 N -3.28 2.02 -2.81 1.92 2.13 -1.21 -4.78 120.64 114.64 1jba n GLU 34 Ca -0.01 -1.75 0.00 0.00 0.66 0.00 0.00 57.16 56.06 1jba n GLU 34 Cb 0.23 -1.43 0.01 0.00 0.27 0.00 0.00 31.44 30.53 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jba n PRO 36 N 3.50 0.18 0.01 0.00 -0.02 -0.89 -3.42 135.00 134.36 1jba n PRO 36 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.49 1jba n PRO 36 Cb 0.62 -1.41 -0.13 0.00 -0.02 0.00 0.00 33.50 32.56 1jba n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jba h SER 37 N 2.28 0.00 0.00 2.55 0.87 -1.95 -3.48 113.55 113.83 1jba h SER 37 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jba h SER 37 Cb 0.18 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1jba h SER 37 CO 0.00 1.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.92 1jba n GLY 38 N 1.47 0.60 3.25 5.77 0.00 -1.22 -5.04 105.19 110.03 1jba n GLY 38 Ca -0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 0.11 0.19 2.61 -4.23 -1.26 -4.64 115.64 106.42 1jba s THR 39 Ca 0.00 -0.87 0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1jba s THR 39 Cb 0.00 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1jba s THR 39 CO 0.00 -0.48 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.15 1jba s LEU 40 N -2.70 2.44 0.22 4.79 2.96 -1.02 -4.94 118.68 120.43 1jba s LEU 40 Ca 0.02 -0.88 0.10 0.00 -0.22 0.00 0.00 54.13 53.15 1jba s LEU 40 Cb 0.03 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1jba s LEU 40 CO -0.10 0.10 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.58 1jba s PHE 41 N -1.76 2.60 0.06 5.38 0.40 -1.26 -2.42 117.98 120.98 1jba s PHE 41 Ca 0.21 -0.24 -0.16 0.00 -0.60 0.00 0.00 56.93 56.13 1jba s PHE 41 Cb -0.07 -1.22 -0.06 0.00 0.51 0.00 0.00 43.02 42.17 1jba s PHE 41 CO 0.10 0.57 1.27 1.98 0.70 0.00 0.00 175.22 179.83 1jba h MET 42 N 2.53 -0.27 -0.92 0.44 1.85 -1.99 0.57 114.93 117.15 1jba h MET 42 Ca -0.45 0.02 0.21 0.00 -0.61 0.00 0.00 59.70 58.86 1jba h MET 42 Cb 1.22 0.06 -0.12 0.00 0.43 0.00 0.00 31.60 33.20 1jba h MET 42 CO 0.56 -0.18 0.46 0.45 -0.40 0.00 0.00 176.91 177.81 1jba h HIS 43 N -0.28 0.78 0.00 1.39 3.86 -1.99 1.34 115.15 120.26 1jba h HIS 43 Ca 0.02 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1jba h HIS 43 Cb 0.33 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1jba h HIS 43 CO -0.52 0.05 0.00 -1.91 0.86 0.00 0.00 177.93 176.41 1jba n GLU 44 N -4.95 0.17 0.10 2.45 4.07 -0.29 -2.48 120.64 119.72 1jba n GLU 44 Ca 0.22 0.38 -0.17 0.00 -0.06 0.00 0.00 57.16 57.53 1jba n GLU 44 Cb 0.62 -1.81 -0.12 0.00 -0.06 0.00 0.00 31.44 30.07 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1jba h PHE 45 N 0.00 0.65 0.06 4.31 3.04 0.71 -2.44 116.94 123.27 1jba h PHE 45 Ca 0.00 -0.44 -0.00 0.00 3.98 0.00 0.00 57.97 61.51 1jba h PHE 45 Cb 0.38 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1jba h PHE 45 CO 0.00 1.31 -0.03 -0.22 -2.02 0.00 0.00 178.31 177.36 1jba h LYS 46 N 0.15 -0.07 -0.65 1.11 3.64 -1.12 -2.80 116.57 116.83 1jba h LYS 46 Ca -0.14 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1jba h LYS 46 Cb 1.90 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 1jba h LYS 46 CO 0.21 0.52 0.39 0.00 -2.27 0.00 0.00 179.45 178.30 1jba h ARG 47 N -0.77 0.88 -0.63 1.90 3.08 -1.63 2.57 114.38 119.78 1jba h ARG 47 Ca -0.01 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1jba h ARG 47 Cb 0.63 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1jba h ARG 47 CO 0.01 0.63 0.41 0.35 -1.07 0.00 0.00 179.97 180.30 1jba h PHE 48 N 0.88 0.76 0.00 3.04 3.57 -1.52 2.02 116.94 125.69 1jba h PHE 48 Ca 0.23 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.53 1jba h PHE 48 Cb -0.03 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 1jba h PHE 48 CO -0.02 0.46 -1.76 0.34 -2.23 0.00 0.00 178.31 175.10 1jba n PHE 49 N -4.68 0.65 -0.11 0.41 7.35 -1.05 -4.49 117.46 115.53 1jba n PHE 49 Ca 0.06 0.22 -0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1jba n PHE 49 Cb 0.05 -1.02 -0.13 0.00 0.35 0.00 0.00 39.48 38.73 1jba n PHE 49 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1jba n LYS 50 N -2.81 0.72 -1.39 -4.13 3.00 0.86 -5.08 118.16 109.34 1jba n LYS 50 Ca -0.16 0.08 0.16 0.00 -0.00 0.00 0.00 58.31 58.39 1jba n LYS 50 Cb 0.92 -1.49 -0.09 0.00 0.00 0.00 0.00 35.03 34.38 1jba n LYS 50 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1jba n VAL 51 N -3.00 -0.93 -1.50 3.15 0.24 0.68 -4.45 118.33 112.53 1jba n VAL 51 Ca -0.38 0.90 -0.41 0.00 -2.04 0.00 0.00 64.34 62.40 1jba n VAL 51 Cb 1.03 -1.35 -0.10 0.00 -1.47 0.00 0.00 33.84 31.95 1jba n VAL 51 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1jba n PRO 52 N -4.23 0.50 0.00 7.34 -0.02 -1.26 -4.28 135.00 133.04 1jba n PRO 52 Ca -0.09 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1jba n PRO 52 Cb 0.63 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1jba n PRO 52 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jba n ASP 53 N 12.15 0.00 -1.25 2.55 8.00 -1.26 -5.16 116.55 131.59 1jba n ASP 53 Ca 0.52 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 56.00 1jba n ASP 53 Cb 0.23 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1jba n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1jba n ASN 54 N -1.34 -0.17 0.00 -2.24 0.23 -1.26 -5.09 115.26 105.39 1jba n ASN 54 Ca 0.00 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 1jba n ASN 54 Cb 0.00 0.31 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1jba n ASN 54 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jba n GLU 55 N -0.07 0.00 0.00 -3.83 4.71 -1.26 -4.81 120.64 115.38 1jba n GLU 55 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.18 1jba n GLU 55 Cb 0.07 -0.26 0.17 0.00 -1.01 0.00 0.00 31.44 30.41 1jba n GLU 55 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1jba n GLU 56 N -1.88 0.09 -1.02 3.49 1.02 -1.26 -2.30 120.64 118.77 1jba n GLU 56 Ca 0.00 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.16 1jba n GLU 56 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.03 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba n ALA 57 N -1.31 5.25 0.36 0.62 0.00 -1.26 -4.07 120.51 120.11 1jba n ALA 57 Ca 0.03 -2.41 0.10 0.00 0.00 0.00 0.00 53.44 51.17 1jba n ALA 57 Cb 0.06 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.61 0.00 0.07 0.00 5.66 -0.97 -4.34 114.28 114.09 1jba n THR 58 Ca 0.47 -0.31 -0.10 0.00 -3.05 0.00 0.00 64.05 61.06 1jba n THR 58 Cb 1.10 0.38 -0.07 0.00 -1.55 0.00 0.00 70.33 70.19 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 0.00 -0.24 -0.34 1.09 7.50 -1.85 -2.06 115.11 119.21 1jba h GLN 59 Ca 0.00 0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.23 1jba h GLN 59 Cb 0.80 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 28.30 1jba h GLN 59 CO 0.00 0.15 -0.43 -0.92 -1.50 0.00 0.00 178.83 176.13 1jba h TYR 60 N -0.89 -1.26 -0.25 2.96 3.20 -1.78 -1.29 116.97 117.65 1jba h TYR 60 Ca -0.03 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1jba h TYR 60 Cb 0.51 0.60 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1jba h TYR 60 CO 0.07 -0.45 0.06 0.28 -1.64 0.00 0.00 178.16 176.48 1jba h VAL 61 N -0.37 0.90 -1.08 1.81 2.07 -1.76 -1.20 116.25 116.62 1jba h VAL 61 Ca 0.12 -0.06 0.33 0.00 0.82 0.00 0.00 66.70 67.92 1jba h VAL 61 Cb 0.59 0.73 -0.13 0.00 -1.52 0.00 0.00 31.29 30.96 1jba h VAL 61 CO -0.53 0.03 0.65 -0.08 0.02 0.00 0.00 177.57 177.66 1jba h GLU 62 N 0.16 0.28 -0.22 1.57 4.22 -0.51 0.63 114.58 120.72 1jba h GLU 62 Ca 0.11 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 1jba h GLU 62 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1jba h GLU 62 CO -0.14 0.19 0.03 0.00 -2.18 0.00 0.00 179.01 176.91 1jba h ALA 63 N 1.75 0.29 -1.02 2.92 0.00 -0.41 -2.38 119.26 120.42 1jba h ALA 63 Ca 0.73 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.70 1jba h ALA 63 Cb 1.83 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.43 1jba h ALA 63 CO -0.50 -0.02 0.63 1.98 0.00 0.00 0.00 179.25 181.34 1jba h MET 64 N 0.16 0.50 -0.32 0.00 1.85 0.56 0.23 114.93 117.91 1jba h MET 64 Ca 0.07 -0.03 -0.18 0.00 -0.61 0.00 0.00 59.70 58.95 1jba h MET 64 Cb 0.34 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.26 1jba h MET 64 CO 0.01 0.33 -0.49 0.35 -0.40 0.00 0.00 176.91 176.71 1jba h PHE 65 N 0.51 1.09 0.54 1.39 3.04 -1.03 -1.22 116.94 121.26 1jba h PHE 65 Ca 0.61 -0.36 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1jba h PHE 65 Cb 1.31 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 39.61 1jba h PHE 65 CO -0.00 1.19 -0.26 -0.09 -2.02 0.00 0.00 178.31 177.13 1jba h ARG 66 N 0.70 -0.69 0.00 1.11 2.43 -0.10 0.12 114.38 117.94 1jba h ARG 66 Ca 0.03 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1jba h ARG 66 Cb 1.09 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1jba h ARG 66 CO 0.11 -0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.18 1jba n ALA 67 N -2.54 1.98 -0.06 2.80 0.00 -0.53 -4.00 120.51 118.16 1jba n ALA 67 Ca -0.11 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1jba n ALA 67 Cb 0.33 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -2.26 0.00 0.00 0.00 -0.00 -0.46 -4.82 117.46 109.92 1jba n PHE 68 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1jba n PHE 68 Cb 0.33 -0.38 0.00 0.00 -0.00 0.00 0.00 39.48 39.43 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jba n ASP 69 N -4.20 0.00 0.00 -2.13 -0.08 0.41 -4.92 116.55 105.62 1jba n ASP 69 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1jba n ASP 69 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 1jba n ASP 69 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1jba n THR 70 N 0.00 0.00 0.00 5.18 -1.04 -1.11 -4.83 114.28 112.47 1jba n THR 70 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jba n THR 70 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jba n THR 70 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1jba n ASN 71 N 3.54 0.00 0.00 8.00 5.03 -1.26 -2.84 115.26 127.72 1jba n ASN 71 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1jba n ASN 71 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jba n GLY 72 N -0.69 0.91 0.00 7.41 0.00 -1.26 -4.88 105.19 106.68 1jba n GLY 72 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 -2.99 1.61 5.75 -1.13 -4.87 116.55 114.92 1jba n ASP 73 Ca 0.00 0.32 -0.12 0.00 -0.01 0.00 0.00 54.79 54.98 1jba n ASP 73 Cb 0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 39.64 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1jba n ASN 74 N -1.43 -1.66 -3.75 -1.12 3.02 -1.26 -4.87 115.26 104.20 1jba n ASN 74 Ca 0.08 0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.54 1jba n ASN 74 Cb 0.27 -1.50 -0.09 0.00 -0.61 0.00 0.00 39.78 37.85 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1jba s THR 75 N -2.39 0.05 0.18 3.41 -1.32 -1.26 -4.59 115.64 109.72 1jba s THR 75 Ca 0.21 -0.40 0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1jba s THR 75 Cb -0.12 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 1jba s THR 75 CO 0.25 -0.22 0.16 -0.63 -2.21 0.00 0.00 174.62 171.97 1jba s ILE 76 N -1.16 4.53 0.28 5.08 -1.09 -1.02 -4.91 121.20 122.93 1jba s ILE 76 Ca -0.12 -1.12 0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1jba s ILE 76 Cb -0.05 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1jba s ILE 76 CO 0.04 -0.16 -0.16 -1.81 -1.23 0.00 0.00 174.94 171.62 1jba s ASP 77 N -3.26 3.44 0.00 3.58 1.01 -1.26 -2.44 116.67 117.74 1jba s ASP 77 Ca 0.32 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.50 1jba s ASP 77 Cb -0.10 -0.28 0.00 0.00 1.01 0.00 0.00 42.92 43.55 1jba s ASP 77 CO 0.24 -0.06 0.64 0.33 0.21 0.00 0.00 175.17 176.53 1jba n PHE 78 N -0.62 0.00 0.15 4.23 7.35 -1.26 -0.22 117.46 127.08 1jba n PHE 78 Ca -0.05 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.50 1jba n PHE 78 Cb 0.61 -0.31 -0.08 0.00 0.35 0.00 0.00 39.48 40.05 1jba n PHE 78 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1jba h LEU 79 N 0.00 -0.27 -0.92 -2.13 5.85 -1.97 -2.32 115.31 113.55 1jba h LEU 79 Ca 0.00 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.82 1jba h LEU 79 Cb 0.00 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 40.95 1jba h LEU 79 CO 0.00 -0.12 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.51 1jba h GLU 80 N -0.39 -0.03 -0.27 1.25 4.81 -1.62 2.11 114.58 120.44 1jba h GLU 80 Ca -0.03 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1jba h GLU 80 Cb 0.30 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1jba h GLU 80 CO 0.05 -0.02 0.10 -0.92 -0.73 0.00 0.00 179.01 177.50 1jba h TYR 81 N -0.03 0.19 -0.69 0.92 3.20 -0.49 -2.17 116.97 117.89 1jba h TYR 81 Ca 0.32 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 1jba h TYR 81 Cb 0.59 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1jba h TYR 81 CO -0.84 0.09 0.18 0.28 -1.64 0.00 0.00 178.16 176.24 1jba h VAL 82 N 0.23 1.26 -0.88 1.81 2.07 0.38 -2.46 116.25 118.66 1jba h VAL 82 Ca 0.12 -0.94 0.21 0.00 0.82 0.00 0.00 66.70 66.92 1jba h VAL 82 Cb 0.08 0.54 -0.12 0.00 -1.52 0.00 0.00 31.29 30.27 1jba h VAL 82 CO -0.11 0.36 0.36 0.00 0.02 0.00 0.00 177.57 178.20 1jba h ALA 83 N 1.09 1.38 -0.16 1.67 0.00 0.38 0.11 119.26 123.72 1jba h ALA 83 Ca 0.22 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1jba h ALA 83 Cb 0.35 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jba h ALA 83 CO -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 179.25 178.95 1jba h ALA 84 N 1.70 0.22 -0.34 0.00 0.00 -1.13 -2.80 119.26 116.91 1jba h ALA 84 Ca 0.55 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1jba h ALA 84 Cb 1.03 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1jba h ALA 84 CO -0.53 -0.16 -0.34 -0.07 0.00 0.00 0.00 179.25 178.14 1jba h LEU 85 N 0.08 -1.18 -0.75 0.00 3.38 -0.60 0.44 115.31 116.68 1jba h LEU 85 Ca 0.05 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1jba h LEU 85 Cb 0.24 0.49 -0.14 0.00 0.09 0.00 0.00 40.66 41.34 1jba h LEU 85 CO -0.00 -0.22 -0.23 0.78 0.09 0.00 0.00 178.44 178.86 1jba h ASN 86 N -0.18 -0.84 -0.65 -0.43 -0.26 -1.42 1.53 115.58 113.32 1jba h ASN 86 Ca 0.06 0.24 0.14 0.00 -0.56 0.00 0.00 56.30 56.17 1jba h ASN 86 Cb 0.33 0.51 -0.10 0.00 -1.06 0.00 0.00 38.32 38.00 1jba h ASN 86 CO -0.41 -0.27 0.06 0.25 -1.06 0.00 0.00 177.43 176.00 1jba h LEU 87 N -0.03 -0.18 0.00 1.61 7.12 -0.69 -3.34 115.31 119.81 1jba h LEU 87 Ca 0.34 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.50 1jba h LEU 87 Cb 0.57 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1jba h LEU 87 CO -0.79 -0.09 0.00 0.52 -0.13 0.00 0.00 178.44 177.96 1jba n VAL 88 N -5.24 0.00 -1.71 1.05 0.31 0.10 -4.75 118.33 108.10 1jba n VAL 88 Ca 0.10 0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 64.32 1jba n VAL 88 Cb 0.38 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 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 -1.86 3.87 -2.78 7.52 4.32 0.49 -3.98 117.00 124.57 1jba n LEU 89 Ca 0.00 1.07 -0.02 0.00 -0.02 0.00 0.00 56.01 57.04 1jba n LEU 89 Cb 0.00 -1.55 -0.01 0.00 -1.62 0.00 0.00 43.42 40.23 1jba n LEU 89 CO 0.00 0.11 -0.52 -1.14 -1.22 0.00 0.00 177.39 174.63 1jba n ARG 90 N 3.86 -3.25 -3.74 3.23 0.63 -1.26 -3.93 116.66 112.19 1jba n ARG 90 Ca 0.16 2.62 -0.13 0.00 -0.92 0.00 0.00 57.85 59.58 1jba n ARG 90 Cb 0.34 -4.37 -0.10 0.00 0.45 0.00 0.00 32.46 28.78 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 -1.14 -0.28 0.00 5.14 0.00 -1.26 -4.69 107.32 105.10 1jba s GLY 91 Ca -0.09 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.64 1jba s GLY 91 CO 0.63 0.85 0.00 -0.37 0.00 0.00 0.00 173.10 174.20 1jba n THR 92 N 2.65 0.00 -1.99 0.90 5.66 -1.26 -5.11 114.28 115.12 1jba n THR 92 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1jba n THR 92 Cb 0.57 0.99 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1jba n LEU 93 N 0.00 0.00 -0.08 1.09 4.77 -1.26 -5.00 117.00 116.52 1jba n LEU 93 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1jba n LEU 93 Cb 0.14 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.51 1jba n LEU 93 CO 0.00 -0.35 0.50 -1.84 -1.33 0.00 0.00 177.39 174.37 1jba n GLU 94 N -0.70 0.26 0.00 3.23 0.28 -1.26 -4.12 120.64 118.33 1jba n GLU 94 Ca 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1jba n GLU 94 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.38 1jba n GLU 94 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1jba n HIS 95 N -1.23 0.00 0.08 -1.84 1.44 -1.26 0.11 115.22 112.52 1jba n HIS 95 Ca 0.08 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.71 1jba n HIS 95 Cb 0.34 -0.20 -0.08 0.00 0.12 0.00 0.00 29.99 30.17 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1jba h LYS 96 N 0.00 0.05 -0.23 -1.40 1.63 -1.90 -2.84 116.57 111.87 1jba h LYS 96 Ca 0.00 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.59 1jba h LYS 96 Cb 0.61 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1jba h LYS 96 CO 0.00 0.97 -0.43 -0.07 -3.45 0.00 0.00 179.45 176.47 1jba h LEU 97 N 0.02 0.60 0.30 5.20 3.38 0.47 -2.01 115.31 123.26 1jba h LEU 97 Ca -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1jba h LEU 97 Cb 1.68 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1jba h LEU 97 CO 0.13 0.96 -0.14 0.50 0.09 0.00 0.00 178.44 179.98 1jba h LYS 98 N 0.46 -0.38 -1.00 1.13 1.63 -1.61 -2.42 116.57 114.37 1jba h LYS 98 Ca 0.03 0.03 0.23 0.00 -0.85 0.00 0.00 60.65 60.09 1jba h LYS 98 Cb 0.94 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.56 1jba h LYS 98 CO 0.08 -0.26 0.63 2.35 -3.45 0.00 0.00 179.45 178.81 1jba h TRP 99 N -0.95 0.81 0.29 1.91 7.01 -1.60 -0.17 115.95 123.24 1jba h TRP 99 Ca -0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1jba h TRP 99 Cb 0.30 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1jba h TRP 99 CO 0.01 0.13 -0.14 1.15 -2.79 0.00 0.00 178.44 176.81 1jba h THR 100 N 0.54 0.73 -0.25 2.65 2.02 -1.40 -1.24 112.91 115.95 1jba h THR 100 Ca 0.57 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.71 1jba h THR 100 Cb 1.21 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1jba h THR 100 CO -0.32 0.03 0.40 0.15 0.37 0.00 0.00 175.52 176.14 1jba h PHE 101 N -0.45 0.00 0.08 3.16 3.57 -0.52 -0.34 116.94 122.45 1jba h PHE 101 Ca -0.04 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1jba h PHE 101 Cb 0.34 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.09 1jba h PHE 101 CO -0.04 0.00 -0.55 -0.22 -2.23 0.00 0.00 178.31 175.27 1jba h LYS 102 N 0.00 0.22 -0.94 1.11 3.64 -0.62 -3.06 116.57 116.93 1jba h LYS 102 Ca 0.12 -0.35 0.18 0.00 -1.27 0.00 0.00 60.65 59.33 1jba h LYS 102 Cb 0.91 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.75 1jba h LYS 102 CO -0.00 1.15 0.52 0.82 -2.27 0.00 0.00 179.45 179.67 1jba h ILE 103 N -0.52 0.68 0.45 2.00 1.08 -0.11 -2.14 117.51 118.96 1jba h ILE 103 Ca -0.09 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1jba h ILE 103 Cb 1.41 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1jba h ILE 103 CO 0.10 0.12 -0.22 1.88 -0.69 0.00 0.00 178.15 179.35 1jba h TYR 104 N 0.67 -0.57 -0.39 1.37 0.05 -1.58 -3.40 116.97 113.12 1jba h TYR 104 Ca 0.54 -0.01 -0.38 0.00 0.05 0.00 0.00 58.73 58.92 1jba h TYR 104 Cb 0.83 0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.70 1jba h TYR 104 CO -0.05 -0.24 1.55 -3.47 -1.05 0.00 0.00 178.16 174.89 1jba n ASP 105 N -5.24 0.48 0.03 3.88 2.03 -0.81 -4.67 116.55 112.25 1jba n ASP 105 Ca -0.10 -0.41 0.02 0.00 0.52 0.00 0.00 54.79 54.82 1jba n ASP 105 Cb 0.30 -1.07 -0.09 0.00 -0.72 0.00 0.00 41.12 39.54 1jba n ASP 105 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1jba n LYS 106 N 7.87 0.63 0.00 -0.67 4.81 -1.26 -4.83 118.16 124.71 1jba n LYS 106 Ca 0.58 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1jba n LYS 106 Cb 0.23 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jba n ASP 107 N -2.75 0.00 0.00 3.14 5.68 -1.26 -5.13 116.55 116.23 1jba n ASP 107 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1jba n ASP 107 Cb 0.79 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1jba n ASP 107 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1jba n ARG 108 N 0.00 0.00 0.00 0.11 1.85 -1.26 -5.06 116.66 112.30 1jba n ARG 108 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1jba n ARG 108 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.00 0.00 -0.63 2.89 0.23 -1.26 -4.97 115.26 111.51 1jba n ASN 109 Ca 0.00 -0.66 -0.08 0.00 -0.53 0.00 0.00 54.58 53.31 1jba n ASN 109 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 110 N 0.00 0.93 3.14 4.83 0.00 -1.26 -4.95 105.19 107.87 1jba n GLY 110 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -2.58 5.03 0.26 0.00 1.01 0.14 -4.83 121.20 120.24 1jba s ILE 112 Ca -0.05 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.47 1jba s ILE 112 Cb -0.01 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1jba s ILE 112 CO -0.04 0.40 -0.17 -0.62 0.00 0.00 0.00 174.94 174.51 1jba s ASP 113 N -1.64 3.28 0.65 3.58 -1.08 -1.26 -2.69 116.67 117.51 1jba s ASP 113 Ca 0.22 -1.05 0.38 0.00 -0.52 0.00 0.00 52.55 51.59 1jba s ASP 113 Cb -0.12 -0.25 2.11 0.00 -1.46 0.00 0.00 42.92 43.20 1jba s ASP 113 CO 0.13 -0.05 2.24 -0.09 0.52 0.00 0.00 175.17 177.92 1jba h ARG 114 N 2.33 0.00 0.23 4.34 2.43 -1.97 -1.71 114.38 120.03 1jba h ARG 114 Ca -0.40 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.43 1jba h ARG 114 Cb 1.25 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1jba h ARG 114 CO 0.62 0.00 -1.58 1.96 -1.51 0.00 0.00 179.97 179.46 1jba h GLN 115 N 0.00 0.49 -0.79 0.20 4.20 -1.99 -2.70 115.11 114.52 1jba h GLN 115 Ca 0.01 -0.83 0.09 0.00 0.06 0.00 0.00 58.65 57.98 1jba h GLN 115 Cb 0.19 0.31 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 1jba h GLN 115 CO -0.00 1.40 0.52 0.93 -0.67 0.00 0.00 178.83 181.00 1jba h GLU 116 N 0.13 0.73 0.00 1.46 5.08 -1.63 -2.28 114.58 118.08 1jba h GLU 116 Ca -0.29 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1jba h GLU 116 Cb 2.15 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 1jba h GLU 116 CO 0.24 0.48 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.62 1jba h LEU 117 N 0.75 0.00 -1.72 1.33 3.38 -1.61 -2.56 115.31 114.88 1jba h LEU 117 Ca 0.36 -0.29 0.44 0.00 0.09 0.00 0.00 57.88 58.48 1jba h LEU 117 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1jba h LEU 117 CO -0.13 0.67 1.25 0.25 0.09 0.00 0.00 178.44 180.57 1jba h LEU 118 N -1.00 0.00 0.22 1.67 6.46 -1.40 2.39 115.31 123.65 1jba h LEU 118 Ca -0.01 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.45 1jba h LEU 118 Cb 0.33 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1jba h LEU 118 CO -0.00 0.00 -1.39 -0.78 -0.62 0.00 0.00 178.44 175.65 1jba h ASP 119 N 0.00 0.73 0.38 1.25 3.58 -1.45 -2.63 116.42 118.28 1jba h ASP 119 Ca 0.73 -0.93 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 1jba h ASP 119 Cb 3.23 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 44.04 1jba h ASP 119 CO -0.01 1.66 -0.18 0.40 -2.88 0.00 0.00 179.24 178.23 1jba h ILE 120 N 0.02 0.00 -0.36 2.25 1.08 0.43 -2.68 117.51 118.24 1jba h ILE 120 Ca -0.25 -0.57 0.08 0.00 -0.39 0.00 0.00 64.86 63.73 1jba h ILE 120 Cb 2.04 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.71 1jba h ILE 120 CO 0.23 0.00 -0.22 -0.37 -0.69 0.00 0.00 178.15 177.10 1jba h VAL 121 N -1.08 0.40 -1.09 1.67 -1.51 -0.65 0.62 116.25 114.60 1jba h VAL 121 Ca -0.05 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.72 1jba h VAL 121 Cb 0.39 0.40 -0.10 0.00 -2.13 0.00 0.00 31.29 29.85 1jba h VAL 121 CO 0.09 0.00 0.71 -0.08 -1.23 0.00 0.00 177.57 177.05 1jba h GLU 122 N -0.16 0.31 -0.26 5.19 4.81 -1.55 0.46 114.58 123.37 1jba h GLU 122 Ca 0.18 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1jba h GLU 122 Cb 0.44 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1jba h GLU 122 CO -0.46 0.20 -0.08 1.03 -0.73 0.00 0.00 179.01 178.98 1jba h SER 123 N 0.32 0.52 0.24 1.04 0.87 0.54 -1.25 113.55 115.83 1jba h SER 123 Ca 0.63 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1jba h SER 123 Cb 1.72 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1jba h SER 123 CO -0.30 0.78 -0.11 0.40 -0.53 0.00 0.00 176.83 177.06 1jba h ILE 124 N 0.26 0.78 -0.75 2.23 5.03 0.11 -2.78 117.51 122.40 1jba h ILE 124 Ca 0.06 -0.08 0.03 0.00 -0.12 0.00 0.00 64.86 64.76 1jba h ILE 124 Cb 0.56 0.83 -0.04 0.00 -3.03 0.00 0.00 36.82 35.13 1jba h ILE 124 CO 0.03 0.02 0.47 1.88 -0.68 0.00 0.00 178.15 179.87 1jba h TYR 125 N -0.36 0.89 -0.59 1.37 0.05 -1.09 -2.32 116.97 114.92 1jba h TYR 125 Ca -0.03 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.89 1jba h TYR 125 Cb 0.27 -0.29 -0.11 0.00 1.01 0.00 0.00 36.73 37.61 1jba h TYR 125 CO -0.05 0.51 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.26 1jba h LYS 126 N 0.93 0.04 -0.36 4.88 1.63 -0.99 0.52 116.57 123.22 1jba h LYS 126 Ca 0.30 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 1jba h LYS 126 Cb 0.00 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1jba h LYS 126 CO -0.10 0.03 0.06 1.25 -3.45 0.00 0.00 179.45 177.23 1jba h LEU 127 N 0.04 0.49 -0.06 5.20 7.12 -1.17 -0.90 115.31 126.04 1jba h LEU 127 Ca 0.30 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.23 1jba h LEU 127 Cb 0.46 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1jba h LEU 127 CO -0.57 0.52 0.00 1.17 -0.13 0.00 0.00 178.44 179.43 1jba n LYS 128 N -4.32 0.06 0.07 1.25 4.81 0.14 -3.14 118.16 117.03 1jba n LYS 128 Ca 0.02 0.13 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 1jba n LYS 128 Cb 0.20 -1.58 -0.05 0.00 0.02 0.00 0.00 35.03 33.63 1jba n LYS 128 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1jba h LYS 129 N 0.00 0.41 -0.00 1.64 3.64 0.10 -3.12 116.57 119.24 1jba h LYS 129 Ca 0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1jba h LYS 129 Cb 0.46 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1jba h LYS 129 CO 0.00 1.11 -0.14 0.00 -2.27 0.00 0.00 179.45 178.16 1jba n ALA 130 N -2.54 2.78 -0.36 5.00 0.00 -1.19 -4.90 120.51 119.31 1jba n ALA 130 Ca -0.07 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 1jba n ALA 130 Cb 0.84 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.75 1.49 -0.04 0.00 3.41 -1.26 -4.68 113.62 108.78 1jba n SER 132 Ca 0.10 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1jba n SER 132 Cb 0.48 -0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.86 0.50 -3.32 -3.33 0.24 -1.26 -5.05 118.33 105.24 1jba n VAL 133 Ca 0.09 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.34 61.67 1jba n VAL 133 Cb 0.63 -0.23 0.02 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.29 -1.57 0.00 7.34 -0.58 -1.26 -4.99 120.64 117.29 1jba n GLU 134 Ca -0.13 1.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.98 1jba n GLU 134 Cb 0.69 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1jba n VAL 135 N 0.27 0.00 -0.15 2.62 3.14 -1.26 -4.64 118.33 118.32 1jba n VAL 135 Ca -0.04 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.32 1jba n VAL 135 Cb 0.58 0.00 0.20 0.00 -1.06 0.00 0.00 33.84 33.56 1jba n VAL 135 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1jba h GLU 136 N 0.00 0.86 -0.02 1.45 4.81 -2.01 -1.86 114.58 117.81 1jba h GLU 136 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1jba h GLU 136 Cb 0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1jba h GLU 136 CO 0.00 0.73 0.00 0.00 -0.73 0.00 0.00 179.01 179.01 1jba n ALA 137 N -2.45 1.58 -1.33 2.92 0.00 -1.26 -4.77 120.51 115.19 1jba n ALA 137 Ca 0.05 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.93 1jba n ALA 137 Cb 0.19 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 1jba n ALA 137 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jba n GLU 138 N -0.37 0.46 -3.64 0.00 0.28 -0.70 -0.01 120.64 116.66 1jba n GLU 138 Ca 0.00 0.12 -0.24 0.00 -0.16 0.00 0.00 57.16 56.89 1jba n GLU 138 Cb 0.01 -1.91 0.04 0.00 1.43 0.00 0.00 31.44 31.00 1jba n GLU 138 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1jba n GLN 139 N 7.80 -3.32 -1.41 3.44 -0.06 -1.26 -4.77 117.38 117.80 1jba n GLN 139 Ca 0.49 0.59 -0.52 0.00 -2.00 0.00 0.00 57.00 55.56 1jba n GLN 139 Cb 0.07 -4.92 -0.05 0.00 -4.06 0.00 0.00 30.24 21.28 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1jba n GLN 140 N -4.10 0.00 0.00 3.69 0.00 0.99 -4.76 117.38 113.20 1jba n GLN 140 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.79 1jba n GLN 140 Cb 0.64 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.66 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jba n GLY 141 N 1.70 -1.03 0.07 1.69 0.00 -1.26 -4.98 105.19 101.38 1jba n GLY 141 Ca 0.19 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.78 1jba n GLY 141 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jba h LYS 142 N 0.00 0.06 -7.04 1.61 3.64 -1.98 -3.45 116.57 109.40 1jba h LYS 142 Ca 0.00 -0.09 -0.46 0.00 -1.27 0.00 0.00 60.65 58.82 1jba h LYS 142 Cb 0.00 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1jba h LYS 142 CO 0.00 1.03 0.38 -0.48 -2.27 0.00 0.00 179.45 178.10 1jba s LEU 143 N -6.84 3.94 -0.18 5.20 2.34 -1.26 -4.40 118.68 117.48 1jba s LEU 143 Ca -0.00 1.89 -0.11 0.00 0.06 0.00 0.00 54.13 55.96 1jba s LEU 143 Cb 0.10 -4.47 0.02 0.00 -0.56 0.00 0.00 46.19 41.27 1jba s LEU 143 CO 0.83 -0.60 0.21 -0.11 -1.06 0.00 0.00 176.35 175.62 1jba n LEU 144 N -0.67 -4.11 -4.86 1.48 -0.00 -1.26 -4.92 117.00 102.65 1jba n LEU 144 Ca 0.08 0.40 -0.32 0.00 -0.00 0.00 0.00 56.01 56.16 1jba n LEU 144 Cb 0.52 -1.91 -0.05 0.00 -0.00 0.00 0.00 43.42 41.98 1jba n LEU 144 CO 0.40 -1.33 0.35 0.42 -0.00 0.00 0.00 177.39 177.22 1jba s THR 145 N -1.29 4.79 0.46 1.96 -4.23 -1.26 -4.80 115.64 111.26 1jba s THR 145 Ca 0.12 0.71 0.16 0.00 -1.18 0.00 0.00 61.69 61.49 1jba s THR 145 Cb -0.01 -3.63 0.33 0.00 1.34 0.00 0.00 72.50 70.53 1jba s THR 145 CO 0.37 -0.20 2.00 -0.65 -0.54 0.00 0.00 174.62 175.61 1jba h PRO 146 N 2.19 0.29 0.00 3.99 0.10 -1.94 -0.65 132.00 135.98 1jba h PRO 146 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1jba h PRO 146 Cb 1.17 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 32.21 1jba h PRO 146 CO 0.66 0.19 -0.57 -0.85 0.10 0.00 0.00 178.00 177.53 1jba n GLU 147 N -4.46 0.02 0.00 1.05 0.28 -1.26 -4.11 120.64 112.16 1jba n GLU 147 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1jba n GLU 147 Cb 0.38 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1jba n GLU 147 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1jba n GLU 148 N -1.54 0.00 -0.32 3.44 2.13 -0.25 -1.99 120.64 122.11 1jba n GLU 148 Ca 0.05 0.49 0.20 0.00 0.66 0.00 0.00 57.16 58.56 1jba n GLU 148 Cb 0.34 -1.27 0.46 0.00 0.27 0.00 0.00 31.44 31.25 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 0.58 -0.31 6.31 -1.51 -1.78 0.35 116.25 119.88 1jba h VAL 149 Ca 0.00 -0.16 -0.05 0.00 -1.23 0.00 0.00 66.70 65.25 1jba h VAL 149 Cb 0.00 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 29.20 1jba h VAL 149 CO 0.00 0.09 -0.02 0.58 -1.23 0.00 0.00 177.57 176.98 1jba h VAL 150 N 0.48 1.20 0.00 7.19 2.07 -1.71 -0.99 116.25 124.48 1jba h VAL 150 Ca 0.58 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jba h VAL 150 Cb 1.33 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1jba h VAL 150 CO -0.32 0.27 -0.07 -0.78 0.02 0.00 0.00 177.57 176.69 1jba h ASP 151 N 0.47 0.00 0.00 0.57 3.58 0.29 -3.07 116.42 118.27 1jba h ASP 151 Ca 0.10 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1jba h ASP 151 Cb 0.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1jba h ASP 151 CO 0.01 0.00 -0.42 0.03 -2.88 0.00 0.00 179.24 175.99 1jba h ARG 152 N 0.00 0.00 -0.72 0.28 2.47 -0.60 -2.73 114.38 113.08 1jba h ARG 152 Ca 0.00 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1jba h ARG 152 Cb 0.96 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.21 1jba h ARG 152 CO 0.00 0.62 0.38 0.82 0.56 0.00 0.00 179.97 182.35 1jba h ILE 153 N -1.00 0.89 -0.21 2.04 2.04 -1.34 2.26 117.51 122.19 1jba h ILE 153 Ca -0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1jba h ILE 153 Cb 0.78 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1jba h ILE 153 CO -0.06 0.12 -0.01 0.15 0.00 0.00 0.00 178.15 178.35 1jba h PHE 154 N 0.67 0.43 0.02 1.37 3.04 -1.68 -2.88 116.94 117.90 1jba h PHE 154 Ca 0.35 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 62.13 1jba h PHE 154 Cb 0.32 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 38.72 1jba h PHE 154 CO -0.09 0.59 -0.35 1.25 -2.02 0.00 0.00 178.31 177.69 1jba h LEU 155 N 0.14 0.28 -0.62 0.59 5.85 -1.09 -1.89 115.31 118.56 1jba h LEU 155 Ca 0.06 -0.82 0.09 0.00 0.84 0.00 0.00 57.88 58.05 1jba h LEU 155 Cb 0.42 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.26 1jba h LEU 155 CO 0.01 1.07 -0.43 0.25 -0.34 0.00 0.00 178.44 179.00 1jba h LEU 156 N -0.48 -1.49 -0.03 2.25 5.85 0.37 -2.32 115.31 119.47 1jba h LEU 156 Ca -0.05 0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1jba h LEU 156 Cb 1.14 0.69 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1jba h LEU 156 CO 0.07 -0.33 -0.09 -0.37 -0.34 0.00 0.00 178.44 177.39 1jba h VAL 157 N -0.20 1.47 -2.72 1.05 -1.51 -1.63 -3.45 116.25 109.26 1jba h VAL 157 Ca 0.19 -1.50 -0.33 0.00 -1.23 0.00 0.00 66.70 63.83 1jba h VAL 157 Cb 0.56 2.40 0.19 0.00 -2.13 0.00 0.00 31.29 32.31 1jba h VAL 157 CO -0.72 0.41 -0.16 -0.67 -1.23 0.00 0.00 177.57 175.20 1jba n ASP 158 N -4.69 -3.94 0.00 4.19 2.03 -0.71 -4.71 116.55 108.72 1jba n ASP 158 Ca -0.08 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1jba n ASP 158 Cb 0.36 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1jba n ASP 158 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1jba n GLU 159 N -4.93 0.00 0.15 -0.67 0.28 -1.26 -4.88 120.64 109.33 1jba n GLU 159 Ca 0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.14 1jba n GLU 159 Cb 0.54 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.58 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1jba h ASN 160 N 0.00 0.00 -5.96 -1.84 7.08 -1.95 -3.47 115.58 109.44 1jba h ASN 160 Ca 0.00 0.00 -0.40 0.00 -3.08 0.00 0.00 56.30 52.82 1jba h ASN 160 Cb 0.00 0.00 0.09 0.00 -2.08 0.00 0.00 38.32 36.33 1jba h ASN 160 CO 0.00 0.52 -0.78 0.61 -2.08 0.00 0.00 177.43 175.70 1jba n GLY 161 N 0.62 -0.37 0.09 9.14 0.00 -1.26 -4.89 105.19 108.52 1jba n GLY 161 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1jba n GLY 161 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jba h ASP 162 N -2.02 0.28 0.00 1.61 2.03 -2.01 -3.47 116.42 112.83 1jba h ASP 162 Ca -0.60 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 55.41 1jba h ASP 162 Cb 1.36 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1jba h ASP 162 CO 0.56 1.23 0.00 0.61 -1.03 0.00 0.00 179.24 180.61 1jba n GLY 163 N 1.47 -0.12 2.86 7.15 0.00 -1.26 -5.11 105.19 110.17 1jba n GLY 163 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 1.23 -0.38 1.61 -0.21 -1.26 -4.88 119.66 115.77 1jba s GLN 164 Ca 0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 55.36 54.85 1jba s GLN 164 Cb 0.00 -1.87 0.03 0.00 1.00 0.00 0.00 33.01 32.17 1jba s GLN 164 CO 0.00 -0.44 0.22 -1.17 -2.12 0.00 0.00 175.29 171.78 1jba s LEU 165 N 1.71 4.77 0.00 2.90 2.96 -1.09 -4.95 118.68 124.98 1jba s LEU 165 Ca 0.01 -1.00 0.04 0.00 -0.22 0.00 0.00 54.13 52.96 1jba s LEU 165 Cb -0.15 -2.04 0.13 0.00 0.50 0.00 0.00 46.19 44.63 1jba s LEU 165 CO -0.07 -0.40 0.95 -0.24 -1.32 0.00 0.00 176.35 175.27 1jba n SER 166 N 5.01 1.70 0.40 3.68 2.88 -1.26 0.27 113.62 126.30 1jba n SER 166 Ca -0.12 -2.34 -0.16 0.00 -1.33 0.00 0.00 58.87 54.93 1jba n SER 166 Cb 0.46 -0.58 -0.08 0.00 -0.75 0.00 0.00 64.21 63.27 1jba n SER 166 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1jba h LEU 167 N 0.00 -0.88 -0.98 2.46 5.85 -1.99 -1.79 115.31 117.98 1jba h LEU 167 Ca -0.32 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.62 1jba h LEU 167 Cb 1.27 0.23 -0.18 0.00 0.37 0.00 0.00 40.66 42.35 1jba h LEU 167 CO 0.38 -0.57 -0.26 0.78 -0.34 0.00 0.00 178.44 178.43 1jba h ASN 168 N -1.17 -0.96 0.58 1.25 4.21 -1.97 1.19 115.58 118.70 1jba h ASN 168 Ca -0.11 0.29 -0.03 0.00 1.21 0.00 0.00 56.30 57.67 1jba h ASN 168 Cb 0.80 0.62 0.01 0.00 -1.12 0.00 0.00 38.32 38.62 1jba h ASN 168 CO 0.17 -0.32 -0.28 -0.33 -1.29 0.00 0.00 177.43 175.39 1jba h GLU 169 N -0.00 -0.75 -0.34 0.81 5.08 -1.93 0.28 114.58 117.73 1jba h GLU 169 Ca 0.45 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.93 1jba h GLU 169 Cb 0.70 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1jba h GLU 169 CO -1.00 -0.50 -0.09 0.35 -1.00 0.00 0.00 179.01 176.77 1jba h PHE 170 N -0.79 -0.20 0.47 4.33 3.04 -0.35 -2.14 116.94 121.29 1jba h PHE 170 Ca -0.08 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1jba h PHE 170 Cb 0.60 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1jba h PHE 170 CO 0.09 -0.16 -0.38 0.28 -2.02 0.00 0.00 178.31 176.13 1jba h VAL 171 N -0.01 0.00 -1.58 1.41 2.07 0.14 0.41 116.25 118.69 1jba h VAL 171 Ca 0.17 0.00 0.46 0.00 0.82 0.00 0.00 66.70 68.14 1jba h VAL 171 Cb 0.26 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 1jba h VAL 171 CO -0.36 0.00 1.21 -0.08 0.02 0.00 0.00 177.57 178.36 1jba h GLU 172 N -0.82 0.00 0.13 1.57 4.57 -0.21 0.99 114.58 120.80 1jba h GLU 172 Ca -0.06 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.78 1jba h GLU 172 Cb 0.69 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1jba h GLU 172 CO 0.00 0.00 -1.77 0.78 -1.18 0.00 0.00 179.01 176.84 1jba h GLY 173 N 0.00 0.30 0.80 1.92 0.00 -0.57 -3.30 103.07 102.23 1jba h GLY 173 Ca 0.75 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1jba h GLY 173 CO -0.01 0.68 0.00 0.00 0.00 0.00 0.00 176.54 177.21 1jba n ALA 174 N -2.82 2.39 -0.08 3.60 0.00 0.32 -3.47 120.51 120.46 1jba n ALA 174 Ca -0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 1jba n ALA 174 Cb 1.06 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 1jba n ALA 174 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jba h ARG 175 N 0.00 0.00 -3.12 0.00 2.43 -1.05 -3.41 114.38 109.24 1jba h ARG 175 Ca 0.00 0.00 -0.81 0.00 -0.81 0.00 0.00 59.98 58.36 1jba h ARG 175 Cb 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.27 1jba h ARG 175 CO 0.00 0.47 0.68 -2.13 -1.51 0.00 0.00 179.97 177.48 1jba n ARG 176 N -4.55 4.19 -3.79 0.20 0.63 -1.23 -4.96 116.66 107.15 1jba n ARG 176 Ca -0.17 -4.53 -0.08 0.00 -0.92 0.00 0.00 57.85 52.15 1jba n ARG 176 Cb 0.43 -2.52 -0.02 0.00 0.45 0.00 0.00 32.46 30.79 1jba n ARG 176 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jba s ASP 177 N -0.82 -0.30 0.00 6.15 -1.08 -1.26 -5.01 116.67 114.35 1jba s ASP 177 Ca 0.31 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.81 1jba s ASP 177 Cb 0.00 0.70 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1jba s ASP 177 CO 0.05 -1.27 0.29 2.29 0.52 0.00 0.00 175.17 177.05 1jba n LYS 178 N -0.44 0.00 -0.00 4.34 -0.00 -1.26 -4.86 118.16 115.94 1jba n LYS 178 Ca -0.06 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.31 57.95 1jba n LYS 178 Cb 0.60 -0.48 -0.00 0.00 -0.00 0.00 0.00 35.03 35.15 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1jba n TRP 179 N 0.00 0.00 -0.27 5.58 -0.00 -1.26 -4.60 117.44 116.89 1jba n TRP 179 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.60 1jba n TRP 179 Cb 0.40 -0.04 0.34 0.00 -0.00 0.00 0.00 31.31 32.01 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 -0.04 0.89 0.30 5.87 3.04 -1.96 0.17 116.25 124.53 1jba h VAL 180 Ca -0.03 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 1jba h VAL 180 Cb 0.95 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1jba h VAL 180 CO -0.02 0.14 -0.16 -0.03 -1.01 0.00 0.00 177.57 176.49 1jba h MET 181 N 0.78 -0.41 -0.17 4.17 1.85 -1.89 -2.32 114.93 116.94 1jba h MET 181 Ca 0.43 0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.60 1jba h MET 181 Cb 0.57 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1jba h MET 181 CO -0.19 -0.27 0.14 0.87 -0.40 0.00 0.00 176.91 177.05 1jba h LYS 182 N -0.43 0.00 0.00 0.39 1.57 -1.77 -2.46 116.57 113.87 1jba h LYS 182 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1jba h LYS 182 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1jba h LYS 182 CO 0.06 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.61 1jba n MET 183 N -4.25 0.00 -0.52 3.15 2.81 0.03 -1.29 117.12 117.06 1jba n MET 183 Ca 0.01 0.00 0.44 0.00 -1.81 0.00 0.00 57.70 56.35 1jba n MET 183 Cb 0.27 -0.91 0.78 0.00 -0.71 0.00 0.00 33.22 32.66 1jba n MET 183 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 1jba h LEU 184 N 0.00 0.01 0.00 4.03 8.10 -1.46 -3.11 115.31 122.89 1jba h LEU 184 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1jba h LEU 184 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1jba h LEU 184 CO 0.00 -0.01 0.00 0.00 -4.11 0.00 0.00 178.44 174.32 1jba n GLN 185 N -4.08 0.00 0.00 0.17 6.02 -0.93 -5.04 117.38 113.52 1jba n GLN 185 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1jba n GLN 185 Cb 1.64 -0.20 0.00 0.00 1.02 0.00 0.00 30.24 32.70 1jba n GLN 185 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1jba n MET 186 N 0.00 0.00 0.00 -1.09 2.81 -0.41 -5.08 117.12 113.34 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 -0.25 1.51 0.00 0.00 175.97 177.23 1jba n ASP 187 N -1.84 0.00 0.00 7.83 8.00 -1.23 -4.79 116.55 124.52 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jba n ASP 187 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jba n LEU 188 N 0.00 0.00 -0.27 0.64 7.94 -1.26 -4.61 117.00 119.44 1jba n LEU 188 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1jba n LEU 188 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1jba n LEU 188 CO 0.00 0.00 0.40 0.59 -1.11 0.00 0.00 177.39 177.27 1jba n ASN 189 N 2.24 -0.69 0.00 1.96 3.02 -1.26 -5.32 115.26 115.21 1jba n ASN 189 Ca 0.00 1.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.89 1jba n ASN 189 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83