#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 0.53 -2.46 1.61 3.00 -1.26 -4.75 117.38 114.05 1jba n GLN 3 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1jba n GLN 3 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 30.24 28.96 1jba n GLN 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jba n GLN 4 N 0.27 -2.17 -2.08 -1.09 10.64 -1.26 -4.47 117.38 117.23 1jba n GLN 4 Ca 0.00 0.02 -0.01 0.00 -1.83 0.00 0.00 57.00 55.18 1jba n GLN 4 Cb 0.14 -3.56 0.06 0.00 -0.86 0.00 0.00 30.24 26.02 1jba n GLN 4 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1jba n PHE 5 N -2.25 -0.95 -1.75 2.61 7.35 -1.26 -5.13 117.46 116.08 1jba n PHE 5 Ca 0.02 -0.80 0.00 0.00 -0.76 0.00 0.00 57.45 55.91 1jba n PHE 5 Cb 0.38 1.04 0.00 0.00 0.35 0.00 0.00 39.48 41.25 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 -0.69 0.17 -0.77 -2.13 7.64 -1.26 -4.88 113.62 111.69 1jba n SER 6 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1jba n SER 6 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.00 -0.64 1.43 8.01 -1.26 -4.33 117.44 120.65 1jba n TRP 7 Ca 0.00 -0.22 0.50 0.00 -1.31 0.00 0.00 57.50 56.47 1jba n TRP 7 Cb 0.00 -0.16 0.79 0.00 -2.01 0.00 0.00 31.31 29.93 1jba n TRP 7 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 1jba h GLU 8 N 0.29 0.00 0.00 -0.99 4.81 -1.98 -0.65 114.58 116.06 1jba h GLU 8 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jba h GLU 8 Cb 0.63 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1jba h GLU 8 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 1jba n GLU 9 N -4.16 0.00 0.30 1.92 -0.58 -1.26 -1.47 120.64 115.39 1jba n GLU 9 Ca 0.43 0.29 0.07 0.00 -0.42 0.00 0.00 57.16 57.53 1jba n GLU 9 Cb 1.89 -1.04 0.30 0.00 -0.57 0.00 0.00 31.44 32.01 1jba n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jba h ALA 10 N -2.00 1.84 0.15 0.62 0.00 -1.67 1.06 119.26 119.27 1jba h ALA 10 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1jba h ALA 10 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jba h ALA 10 CO 0.00 -0.82 -0.93 1.49 0.00 0.00 0.00 179.25 178.99 1jba h GLU 11 N 0.00 0.37 -0.53 0.00 4.81 -1.08 -3.26 114.58 114.89 1jba h GLU 11 Ca 0.03 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1jba h GLU 11 Cb 1.60 0.22 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1jba h GLU 11 CO -0.00 1.27 0.00 0.39 -0.73 0.00 0.00 179.01 179.94 1jba n GLU 12 N -4.05 2.36 0.00 1.92 1.02 0.35 -4.61 120.64 117.63 1jba n GLU 12 Ca -0.14 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 1jba n GLU 12 Cb 0.87 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1jba n GLU 12 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jba n ASN 13 N 0.59 0.00 0.00 1.62 4.13 0.03 -5.05 115.26 116.58 1jba n ASN 13 Ca 0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1jba n ASN 13 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 14 N 3.69 0.10 0.00 7.41 0.00 -1.26 -5.10 105.19 110.03 1jba n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 1.26 4.61 0.00 -1.26 -5.00 120.51 120.12 1jba n ALA 15 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1jba n ALA 15 Cb 0.01 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 1jba n ALA 15 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jba n VAL 16 N 0.00 0.00 0.00 0.00 0.24 -1.26 -4.78 118.33 112.53 1jba n VAL 16 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1jba n VAL 16 Cb 0.00 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jba n GLY 17 N 1.33 2.12 0.00 7.63 0.00 -1.26 -4.39 105.19 110.62 1jba n GLY 17 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N 0.00 0.00 0.63 4.61 0.00 -1.26 -4.97 120.51 119.52 1jba n ALA 18 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1jba n ALA 18 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -3.00 2.75 -0.60 0.00 0.00 -1.26 -4.46 120.51 113.94 1jba n ALA 19 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1jba n ALA 19 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.34 0.00 -0.27 0.00 -0.08 -1.26 -2.11 116.55 113.17 1jba n ASP 20 Ca 0.11 0.63 0.04 0.00 -1.51 0.00 0.00 54.79 54.06 1jba n ASP 20 Cb 0.45 -0.20 0.14 0.00 2.34 0.00 0.00 41.12 43.85 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jba h ALA 21 N -2.00 0.68 -0.86 -1.67 0.00 -1.78 0.38 119.26 114.01 1jba h ALA 21 Ca 0.00 0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.41 1jba h ALA 21 Cb 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 1jba h ALA 21 CO 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 179.25 178.95 1jba h ALA 22 N 1.76 1.10 -0.37 0.00 0.00 -1.80 0.96 119.26 120.90 1jba h ALA 22 Ca 0.41 0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.48 1jba h ALA 22 Cb 0.69 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1jba h ALA 22 CO -0.75 -0.47 -0.14 0.37 0.00 0.00 0.00 179.25 178.26 1jba h GLN 23 N 0.14 0.67 -0.31 0.00 5.75 0.28 -2.72 115.11 118.92 1jba h GLN 23 Ca 0.52 -0.22 -0.15 0.00 -0.15 0.00 0.00 58.65 58.65 1jba h GLN 23 Cb 1.01 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 1jba h GLN 23 CO -0.71 0.78 -0.41 -0.07 -2.65 0.00 0.00 178.83 175.78 1jba h LEU 24 N 0.60 0.80 -0.71 -2.39 4.07 0.14 -2.44 115.31 115.38 1jba h LEU 24 Ca 0.10 -0.37 0.01 0.00 0.08 0.00 0.00 57.88 57.71 1jba h LEU 24 Cb 0.59 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1jba h LEU 24 CO 0.04 1.11 0.47 -0.61 -1.08 0.00 0.00 178.44 178.36 1jba h GLN 25 N 0.61 0.91 -0.14 1.13 4.15 0.14 -0.14 115.11 121.77 1jba h GLN 25 Ca 0.05 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1jba h GLN 25 Cb 0.96 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1jba h GLN 25 CO 0.09 0.60 -0.32 0.93 -1.93 0.00 0.00 178.83 178.20 1jba h GLU 26 N 0.94 0.27 -0.36 1.69 5.08 -1.39 -1.68 114.58 119.13 1jba h GLU 26 Ca 0.27 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1jba h GLU 26 Cb -0.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1jba h GLU 26 CO -0.07 0.57 -0.44 -1.49 -1.00 0.00 0.00 179.01 176.58 1jba h TRP 27 N 0.24 1.13 -0.06 4.33 6.55 -0.82 -2.03 115.95 125.29 1jba h TRP 27 Ca 0.03 -0.36 -0.12 0.00 0.95 0.00 0.00 58.89 59.39 1jba h TRP 27 Cb 0.69 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.75 1jba h TRP 27 CO 0.01 1.19 -0.52 -0.92 -1.05 0.00 0.00 178.44 177.15 1jba h TYR 28 N 0.74 0.20 -0.10 0.49 3.20 -0.87 -0.56 116.97 120.07 1jba h TYR 28 Ca 0.05 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1jba h TYR 28 Cb 1.04 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1jba h TYR 28 CO 0.07 0.65 -0.07 -0.22 -1.64 0.00 0.00 178.16 176.95 1jba h LYS 29 N 0.13 0.23 0.00 1.82 3.64 -1.19 -2.75 116.57 118.45 1jba h LYS 29 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1jba h LYS 29 Cb 0.97 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1jba h LYS 29 CO 0.08 0.61 0.00 1.17 -2.27 0.00 0.00 179.45 179.04 1jba n LYS 30 N -4.69 0.03 -0.00 1.90 3.00 -0.77 -2.18 118.16 115.45 1jba n LYS 30 Ca -0.07 0.08 -0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1jba n LYS 30 Cb 0.30 -1.54 -0.00 0.00 0.00 0.00 0.00 35.03 33.79 1jba n LYS 30 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1jba h PHE 31 N 0.00 -0.00 0.05 5.64 3.57 -0.90 -3.42 116.94 121.88 1jba h PHE 31 Ca 0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jba h PHE 31 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1jba h PHE 31 CO 0.00 -0.00 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.98 1jba h LEU 32 N -0.01 -0.06 0.00 0.59 -0.00 -1.63 -3.46 115.31 110.74 1jba h LEU 32 Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1jba h LEU 32 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1jba h LEU 32 CO 0.00 0.61 0.00 -0.62 -0.00 0.00 0.00 178.44 178.43 1jba n GLU 33 N -4.77 0.00 -0.29 1.13 1.02 -0.93 -2.40 120.64 114.41 1jba n GLU 33 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1jba n GLU 33 Cb 0.22 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 1jba n GLU 33 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jba n GLU 34 N 0.00 0.00 -3.25 3.49 1.02 -1.26 -4.98 120.64 115.66 1jba n GLU 34 Ca 0.00 -0.23 -0.25 0.00 -0.02 0.00 0.00 57.16 56.67 1jba n GLU 34 Cb 0.00 -0.14 -0.07 0.00 -0.02 0.00 0.00 31.44 31.21 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 0.89 1.80 0.00 0.00 -0.02 -1.26 -4.13 135.00 132.27 1jba n PRO 36 Ca 0.26 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1jba n PRO 36 Cb 0.48 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.79 1jba n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jba n SER 37 N 11.83 0.00 -3.12 2.55 7.64 -1.26 -5.05 113.62 126.20 1jba n SER 37 Ca 0.32 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.17 1jba n SER 37 Cb 0.43 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jba n GLY 38 N -0.01 -1.24 3.11 0.23 0.00 -1.26 -4.99 105.19 101.03 1jba n GLY 38 Ca 0.00 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.03 -0.57 -0.12 2.61 -4.23 -1.26 -3.98 115.64 105.06 1jba s THR 39 Ca 0.04 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 1jba s THR 39 Cb -0.01 -0.63 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 1jba s THR 39 CO 0.76 0.04 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.50 1jba s LEU 40 N 2.54 2.56 0.29 4.79 2.96 -0.93 -5.01 118.68 125.87 1jba s LEU 40 Ca 0.02 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1jba s LEU 40 Cb -0.13 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1jba s LEU 40 CO -0.12 0.17 0.45 -0.36 -1.32 0.00 0.00 176.35 175.18 1jba s PHE 41 N 0.28 3.47 0.38 5.38 0.08 -1.26 -2.34 117.98 123.97 1jba s PHE 41 Ca -0.12 0.16 0.07 0.00 0.12 0.00 0.00 56.93 57.17 1jba s PHE 41 Cb -0.16 -1.73 0.80 0.00 -0.57 0.00 0.00 43.02 41.35 1jba s PHE 41 CO 0.06 0.28 1.98 0.00 -0.10 0.00 0.00 175.22 177.44 1jba h MET 42 N 0.96 0.66 0.65 0.44 -0.00 -1.98 0.57 114.93 116.24 1jba h MET 42 Ca -0.51 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.70 59.12 1jba h MET 42 Cb 1.22 -0.15 0.01 0.00 -0.00 0.00 0.00 31.60 32.68 1jba h MET 42 CO 0.61 0.44 -0.31 1.25 -0.00 0.00 0.00 176.91 178.89 1jba h HIS 43 N 0.68 -0.82 0.00 -0.10 6.17 -1.99 -0.89 115.15 118.20 1jba h HIS 43 Ca 0.27 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.33 1jba h HIS 43 Cb 0.22 0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.42 1jba h HIS 43 CO -0.00 -0.47 0.00 0.93 0.71 0.00 0.00 177.93 179.10 1jba h GLU 44 N -1.01 0.00 0.00 5.26 4.39 -1.90 -2.74 114.58 118.58 1jba h GLU 44 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1jba h GLU 44 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1jba h GLU 44 CO 0.15 0.00 -0.01 0.35 -1.16 0.00 0.00 179.01 178.34 1jba h PHE 45 N 0.00 0.01 -0.80 4.33 3.04 -0.56 -0.78 116.94 122.17 1jba h PHE 45 Ca 0.00 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1jba h PHE 45 Cb 0.32 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.79 1jba h PHE 45 CO 0.00 0.80 0.53 -0.22 -2.02 0.00 0.00 178.31 177.40 1jba h LYS 46 N -0.79 0.98 0.00 1.11 3.11 -1.02 -2.18 116.57 117.79 1jba h LYS 46 Ca -0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1jba h LYS 46 Cb 0.80 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1jba h LYS 46 CO 0.00 0.65 0.00 0.54 -2.81 0.00 0.00 179.45 177.83 1jba n ARG 47 N -4.44 0.00 -0.28 1.90 1.74 -1.05 -2.17 116.66 112.35 1jba n ARG 47 Ca 0.10 0.02 0.26 0.00 -0.77 0.00 0.00 57.85 57.46 1jba n ARG 47 Cb 0.10 -0.49 0.46 0.00 -1.02 0.00 0.00 32.46 31.51 1jba n ARG 47 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jba n PHE 48 N -0.64 0.67 -0.06 -1.55 7.35 -0.30 0.21 117.46 123.15 1jba n PHE 48 Ca 0.00 0.68 -0.06 0.00 -0.76 0.00 0.00 57.45 57.31 1jba n PHE 48 Cb 0.00 -1.09 -0.05 0.00 0.35 0.00 0.00 39.48 38.68 1jba n PHE 48 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1jba h PHE 49 N 0.00 0.00 0.00 -5.13 3.04 -1.51 -3.44 116.94 109.90 1jba h PHE 49 Ca 0.62 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.57 1jba h PHE 49 Cb 1.83 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.34 1jba h PHE 49 CO -0.01 0.42 -0.68 1.63 -2.02 0.00 0.00 178.31 177.65 1jba n LYS 50 N -4.70 0.44 -3.99 1.11 5.02 0.33 -4.97 118.16 111.40 1jba n LYS 50 Ca -0.05 0.35 -0.33 0.00 -2.02 0.00 0.00 58.31 56.26 1jba n LYS 50 Cb 0.21 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1jba n VAL 51 N -4.34 -1.58 0.90 -0.18 3.14 0.13 -4.72 118.33 111.68 1jba n VAL 51 Ca -0.10 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1jba n VAL 51 Cb 0.35 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 1jba n VAL 51 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1jba n PRO 52 N -4.08 0.90 -0.31 1.45 -0.04 -1.26 -4.75 135.00 126.90 1jba n PRO 52 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1jba n PRO 52 Cb 0.48 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jba n ASP 53 N 0.16 0.00 -4.41 3.54 -0.08 -1.26 -4.87 116.55 109.63 1jba n ASP 53 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1jba n ASP 53 Cb 0.27 -2.12 -0.13 0.00 2.34 0.00 0.00 41.12 41.48 1jba n ASP 53 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1jba s ASN 54 N -2.00 4.52 -0.66 1.67 -0.87 -1.26 -5.06 114.94 111.27 1jba s ASN 54 Ca 0.00 -0.26 -0.08 0.00 -1.57 0.00 0.00 52.86 50.95 1jba s ASN 54 Cb 0.00 -1.75 0.17 0.00 -0.02 0.00 0.00 41.25 39.65 1jba s ASN 54 CO 0.00 0.09 0.53 -1.83 -2.57 0.00 0.00 177.10 173.32 1jba s GLU 55 N 0.84 2.88 0.00 -0.60 -1.05 -1.26 -4.58 118.70 114.93 1jba s GLU 55 Ca -0.01 -2.36 0.00 0.00 -0.15 0.00 0.00 54.97 52.45 1jba s GLU 55 Cb -0.15 -3.99 0.00 0.00 -0.44 0.00 0.00 34.13 29.55 1jba s GLU 55 CO 0.01 -1.22 0.00 -0.85 0.95 0.00 0.00 175.26 174.16 1jba n GLU 56 N 3.92 0.00 0.00 -4.83 0.28 -1.26 -4.90 120.64 113.85 1jba n GLU 56 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1jba n GLU 56 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jba n ALA 57 N -2.16 2.44 0.09 -1.84 0.00 -1.26 -3.58 120.51 114.19 1jba n ALA 57 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1jba n ALA 57 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 0.05 1.58 -0.19 0.00 2.02 -1.90 -3.19 112.91 111.27 1jba h THR 58 Ca 0.00 -3.00 0.04 0.00 0.77 0.00 0.00 66.41 64.23 1jba h THR 58 Cb 0.85 2.63 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 1jba h THR 58 CO 0.00 0.85 -0.08 -0.61 0.37 0.00 0.00 175.52 176.05 1jba h GLN 59 N 0.00 -0.04 -0.58 6.66 -0.00 -1.97 0.15 115.11 119.33 1jba h GLN 59 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1jba h GLN 59 Cb 1.56 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 29.03 1jba h GLN 59 CO 0.11 -0.03 0.31 -0.92 0.00 0.00 0.00 178.83 178.31 1jba h TYR 60 N -0.05 0.80 0.02 3.99 3.20 -1.86 -2.54 116.97 120.54 1jba h TYR 60 Ca 0.10 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1jba h TYR 60 Cb 0.20 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1jba h TYR 60 CO -0.24 0.59 -0.13 0.28 -1.64 0.00 0.00 178.16 177.02 1jba h VAL 61 N 0.79 0.69 -1.09 1.81 2.07 -1.38 0.90 116.25 120.04 1jba h VAL 61 Ca 0.20 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.02 1jba h VAL 61 Cb 0.06 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1jba h VAL 61 CO -0.03 0.00 0.72 -0.33 0.02 0.00 0.00 177.57 177.95 1jba h GLU 62 N -0.23 0.26 -0.53 1.57 4.39 -0.72 0.82 114.58 120.15 1jba h GLU 62 Ca 0.04 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1jba h GLU 62 Cb 0.27 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1jba h GLU 62 CO -0.11 0.18 0.24 0.00 -1.16 0.00 0.00 179.01 178.15 1jba h ALA 63 N 1.57 0.68 -0.61 3.43 0.00 -0.41 -0.76 119.26 123.16 1jba h ALA 63 Ca 0.60 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.68 1jba h ALA 63 Cb 1.75 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 1jba h ALA 63 CO -0.23 -0.13 -0.02 0.52 0.00 0.00 0.00 179.25 179.38 1jba h MET 64 N 0.46 0.09 -0.68 0.00 2.86 0.93 0.28 114.93 118.86 1jba h MET 64 Ca 0.25 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.99 1jba h MET 64 Cb 0.21 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.77 1jba h MET 64 CO -0.21 0.06 0.27 0.35 1.06 0.00 0.00 176.91 178.44 1jba h PHE 65 N 0.10 0.47 0.43 -0.22 3.04 -1.01 1.41 116.94 121.15 1jba h PHE 65 Ca 0.31 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.28 1jba h PHE 65 Cb 0.51 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1jba h PHE 65 CO -0.38 0.10 -0.21 0.00 -2.02 0.00 0.00 178.31 175.80 1jba h ARG 66 N 0.44 -0.55 0.00 1.11 3.08 0.00 0.60 114.38 119.06 1jba h ARG 66 Ca 0.36 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1jba h ARG 66 Cb 0.48 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1jba h ARG 66 CO -0.34 -0.26 -0.21 0.00 -1.07 0.00 0.00 179.97 178.09 1jba h ALA 67 N -0.38 1.07 0.04 0.04 0.00 -0.58 -3.31 119.26 116.14 1jba h ALA 67 Ca -0.06 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.30 1jba h ALA 67 Cb 0.55 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1jba h ALA 67 CO 0.10 0.26 -2.05 0.34 0.00 0.00 0.00 179.25 177.90 1jba n PHE 68 N -3.45 0.67 -1.50 0.00 7.35 0.48 -4.71 117.46 116.30 1jba n PHE 68 Ca -0.00 0.19 -0.12 0.00 -0.76 0.00 0.00 57.45 56.76 1jba n PHE 68 Cb 0.39 -1.08 -0.10 0.00 0.35 0.00 0.00 39.48 39.04 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jba n ASP 69 N -3.79 0.92 0.09 -2.13 2.03 0.21 -4.59 116.55 109.29 1jba n ASP 69 Ca -0.40 -2.11 -0.15 0.00 0.52 0.00 0.00 54.79 52.65 1jba n ASP 69 Cb 0.92 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 39.67 1jba n ASP 69 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jba h THR 70 N 6.93 1.45 -1.26 5.18 1.35 -1.85 -3.21 112.91 121.50 1jba h THR 70 Ca 0.00 -2.79 0.39 0.00 -0.55 0.00 0.00 66.41 63.46 1jba h THR 70 Cb 1.00 2.73 -0.11 0.00 -1.73 0.00 0.00 68.15 70.05 1jba h THR 70 CO 1.02 0.82 0.82 -1.13 -0.25 0.00 0.00 175.52 176.81 1jba h ASN 71 N 0.14 0.27 -4.25 5.36 -0.00 -1.95 -3.45 115.58 111.70 1jba h ASN 71 Ca -0.12 0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1jba h ASN 71 Cb 1.82 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 40.22 1jba h ASN 71 CO 0.19 -0.09 -0.33 0.61 -0.00 0.00 0.00 177.43 177.82 1jba n GLY 72 N -1.54 -1.52 0.74 1.57 0.00 -1.22 -5.01 105.19 98.21 1jba n GLY 72 Ca 0.33 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.25 0.00 0.00 1.61 5.75 -1.26 -5.05 116.55 117.35 1jba n ASP 73 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1jba n ASP 73 Cb 0.21 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1jba n ASP 73 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1jba n ASN 74 N -1.55 0.00 -4.15 -1.12 0.23 -1.26 -5.16 115.26 102.25 1jba n ASN 74 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 1jba n ASN 74 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1jba s THR 75 N 0.00 0.55 -0.32 5.53 -4.23 -1.26 -4.77 115.64 111.14 1jba s THR 75 Ca 0.00 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1jba s THR 75 Cb 0.00 -1.69 0.10 0.00 1.34 0.00 0.00 72.50 72.25 1jba s THR 75 CO 0.00 -0.86 0.05 -0.63 -0.54 0.00 0.00 174.62 172.64 1jba s ILE 76 N -3.72 1.72 0.73 2.99 1.01 -0.99 -4.97 121.20 117.97 1jba s ILE 76 Ca 0.12 -1.90 -0.11 0.00 0.00 0.00 0.00 60.65 58.76 1jba s ILE 76 Cb 0.06 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.32 1jba s ILE 76 CO -0.05 -0.57 1.07 1.51 0.00 0.00 0.00 174.94 176.90 1jba s ASP 77 N 1.20 5.05 0.17 3.58 1.47 -1.26 -2.20 116.67 124.68 1jba s ASP 77 Ca 0.09 1.54 -0.14 0.00 1.18 0.00 0.00 52.55 55.22 1jba s ASP 77 Cb -0.18 -2.37 0.17 0.00 -0.34 0.00 0.00 42.92 40.20 1jba s ASP 77 CO -0.14 -1.65 1.18 0.33 0.68 0.00 0.00 175.17 175.57 1jba n PHE 78 N -3.25 -0.00 -0.00 2.11 7.35 -1.26 -1.30 117.46 121.11 1jba n PHE 78 Ca 0.07 0.94 -0.01 0.00 -0.76 0.00 0.00 57.45 57.69 1jba n PHE 78 Cb 0.54 -0.77 -0.00 0.00 0.35 0.00 0.00 39.48 39.60 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 -0.08 -0.63 -2.13 -0.00 -1.93 0.45 115.31 110.98 1jba h LEU 79 Ca 0.25 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.22 1jba h LEU 79 Cb 0.44 0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 41.03 1jba h LEU 79 CO -0.75 -0.02 -0.50 -0.33 -0.00 0.00 0.00 178.44 176.84 1jba h GLU 80 N -0.03 -0.22 -0.08 1.13 5.08 -1.54 1.05 114.58 119.98 1jba h GLU 80 Ca 0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1jba h GLU 80 Cb 0.03 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1jba h GLU 80 CO -0.02 -0.14 -0.26 -0.92 -1.00 0.00 0.00 179.01 176.66 1jba h TYR 81 N -0.22 -0.78 -0.50 4.33 3.20 -0.83 -0.36 116.97 121.80 1jba h TYR 81 Ca 0.15 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.15 1jba h TYR 81 Cb 0.55 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 1jba h TYR 81 CO -0.79 -0.26 -0.02 0.28 -1.64 0.00 0.00 178.16 175.74 1jba h VAL 82 N -0.26 0.59 -1.05 1.81 2.07 0.67 0.18 116.25 120.25 1jba h VAL 82 Ca 0.02 -0.03 0.28 0.00 0.82 0.00 0.00 66.70 67.78 1jba h VAL 82 Cb 0.32 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1jba h VAL 82 CO -0.22 0.02 0.66 0.00 0.02 0.00 0.00 177.57 178.05 1jba h ALA 83 N 1.46 2.14 -0.10 1.67 0.00 0.20 0.19 119.26 124.82 1jba h ALA 83 Ca 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jba h ALA 83 Cb 0.39 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jba h ALA 83 CO -0.44 -0.59 0.05 0.00 0.00 0.00 0.00 179.25 178.27 1jba h ALA 84 N 1.66 0.13 -0.40 0.00 0.00 0.10 -2.85 119.26 117.91 1jba h ALA 84 Ca 0.64 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.55 1jba h ALA 84 Cb 1.53 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 1jba h ALA 84 CO -0.37 -0.31 -0.37 -0.07 0.00 0.00 0.00 179.25 178.13 1jba h LEU 85 N 0.05 -1.22 -0.68 0.00 3.38 -0.36 -0.29 115.31 116.19 1jba h LEU 85 Ca 0.04 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.33 1jba h LEU 85 Cb 0.11 0.55 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 1jba h LEU 85 CO -0.00 -0.34 -0.32 0.78 0.09 0.00 0.00 178.44 178.64 1jba h ASN 86 N -0.29 -1.14 0.23 -0.43 -0.26 -1.31 2.18 115.58 114.56 1jba h ASN 86 Ca 0.16 0.24 -0.00 0.00 -0.56 0.00 0.00 56.30 56.14 1jba h ASN 86 Cb 0.56 0.59 -0.03 0.00 -1.06 0.00 0.00 38.32 38.38 1jba h ASN 86 CO -0.55 -0.29 -0.39 0.25 -1.06 0.00 0.00 177.43 175.38 1jba h LEU 87 N -0.12 -1.14 0.00 1.61 7.12 -0.87 -3.33 115.31 118.59 1jba h LEU 87 Ca 0.27 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.39 1jba h LEU 87 Cb 0.56 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1jba h LEU 87 CO -0.74 -0.46 0.00 0.52 -0.13 0.00 0.00 178.44 177.62 1jba n VAL 88 N -4.74 0.00 -1.69 1.05 0.31 -0.58 -4.27 118.33 108.40 1jba n VAL 88 Ca -0.08 0.59 -0.42 0.00 -0.01 0.00 0.00 64.34 64.42 1jba n VAL 88 Cb 0.33 -1.27 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 1jba n VAL 88 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1jba s LEU 89 N -2.57 4.43 -0.20 7.52 2.96 0.73 -3.94 118.68 127.60 1jba s LEU 89 Ca 0.00 2.66 -0.05 0.00 -0.22 0.00 0.00 54.13 56.52 1jba s LEU 89 Cb 0.00 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.18 1jba s LEU 89 CO 0.00 -1.05 0.10 0.54 -1.32 0.00 0.00 176.35 174.62 1jba n ARG 90 N 7.43 -3.43 -2.71 1.98 1.74 -1.26 -3.71 116.66 116.70 1jba n ARG 90 Ca 0.20 2.72 -0.05 0.00 -0.77 0.00 0.00 57.85 59.95 1jba n ARG 90 Cb 0.41 -4.41 0.04 0.00 -1.02 0.00 0.00 32.46 27.48 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jba n GLY 91 N 1.33 -0.95 0.02 -0.13 0.00 -1.25 -4.51 105.19 99.70 1jba n GLY 91 Ca -0.17 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1jba n GLY 91 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jba n THR 92 N 2.11 0.00 -3.19 2.61 5.66 -1.26 -4.59 114.28 115.62 1jba n THR 92 Ca 0.10 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.69 1jba n THR 92 Cb 0.64 -0.41 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 1jba n THR 92 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1jba s LEU 93 N -0.97 4.06 0.00 1.09 2.96 -1.26 -4.90 118.68 119.67 1jba s LEU 93 Ca 0.00 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1jba s LEU 93 Cb 0.00 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.96 1jba s LEU 93 CO 0.00 -0.31 0.84 -1.84 -1.32 0.00 0.00 176.35 173.72 1jba n GLU 94 N 5.55 0.00 0.21 1.98 -0.00 -1.26 -2.81 120.64 124.31 1jba n GLU 94 Ca -0.03 0.35 0.02 0.00 -0.00 0.00 0.00 57.16 57.50 1jba n GLU 94 Cb 0.49 -1.58 0.11 0.00 -0.00 0.00 0.00 31.44 30.46 1jba n GLU 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1jba h HIS 95 N 0.00 0.00 -0.31 -1.84 2.76 -1.91 0.48 115.15 114.34 1jba h HIS 95 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1jba h HIS 95 Cb 0.17 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1jba h HIS 95 CO 0.00 0.00 0.03 1.57 -1.30 0.00 0.00 177.93 178.23 1jba h LYS 96 N 0.00 0.46 -0.59 5.26 2.10 -1.88 -2.45 116.57 119.47 1jba h LYS 96 Ca 0.00 -0.08 0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1jba h LYS 96 Cb 1.41 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 32.61 1jba h LYS 96 CO 0.00 0.47 0.27 -0.07 -2.00 0.00 0.00 179.45 178.11 1jba h LEU 97 N 0.45 0.34 -0.18 7.07 3.38 -0.34 0.67 115.31 126.69 1jba h LEU 97 Ca 0.10 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jba h LEU 97 Cb 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1jba h LEU 97 CO 0.00 0.22 0.10 0.50 0.09 0.00 0.00 178.44 179.35 1jba h LYS 98 N 0.49 0.25 -0.18 1.13 3.64 -1.62 0.50 116.57 120.78 1jba h LYS 98 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1jba h LYS 98 Cb 0.26 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1jba h LYS 98 CO -0.23 0.25 0.12 2.35 -2.27 0.00 0.00 179.45 179.66 1jba h TRP 99 N 0.19 0.23 -0.46 1.91 7.01 -1.03 -2.18 115.95 121.61 1jba h TRP 99 Ca 0.06 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.13 1jba h TRP 99 Cb 0.07 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.00 1jba h TRP 99 CO -0.04 0.15 0.16 1.15 -2.79 0.00 0.00 178.44 177.07 1jba h THR 100 N 0.24 0.84 -0.67 2.65 2.02 0.56 0.21 112.91 118.77 1jba h THR 100 Ca 0.07 -0.11 0.18 0.00 0.77 0.00 0.00 66.41 67.32 1jba h THR 100 Cb -0.02 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1jba h THR 100 CO -0.01 0.06 0.47 0.15 0.37 0.00 0.00 175.52 176.56 1jba h PHE 101 N 0.33 0.08 -0.09 3.16 3.04 -0.43 0.19 116.94 123.21 1jba h PHE 101 Ca 0.22 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1jba h PHE 101 Cb 0.22 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 1jba h PHE 101 CO -0.16 0.03 -0.00 -0.22 -2.02 0.00 0.00 178.31 175.93 1jba h LYS 102 N 0.06 0.16 -0.14 1.11 1.63 0.01 -2.73 116.57 116.68 1jba h LYS 102 Ca 0.32 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.11 1jba h LYS 102 Cb 1.19 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.74 1jba h LYS 102 CO -0.02 0.43 -0.47 0.82 -3.45 0.00 0.00 179.45 176.76 1jba h ILE 103 N -0.12 0.08 0.00 2.00 1.08 -0.54 1.66 117.51 121.68 1jba h ILE 103 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1jba h ILE 103 Cb 0.36 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 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 -5.44 0.00 -3.21 1.37 4.01 -1.05 -2.92 117.16 109.92 1jba n TYR 104 Ca -0.05 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.46 1jba n TYR 104 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 1jba n TYR 104 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jba n ASP 105 N -0.66 0.84 0.00 7.72 -0.08 0.57 -4.58 116.55 120.36 1jba n ASP 105 Ca 0.01 -2.86 0.00 0.00 -1.51 0.00 0.00 54.79 50.43 1jba n ASP 105 Cb 0.01 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 42.83 1jba n ASP 105 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1jba n LYS 106 N 1.11 0.00 0.00 -0.67 4.81 -1.15 0.18 118.16 122.43 1jba n LYS 106 Ca 0.23 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1jba n LYS 106 Cb 0.53 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.46 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 -1.80 0.10 -3.93 3.14 5.68 -1.26 -4.80 116.55 113.67 1jba n ASP 107 Ca 0.00 -0.53 -0.27 0.00 -0.50 0.00 0.00 54.79 53.49 1jba n ASP 107 Cb 0.00 -0.05 0.01 0.00 -1.14 0.00 0.00 41.12 39.94 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 -0.19 -0.58 -0.07 0.11 1.85 0.46 -4.72 116.66 113.52 1jba n ARG 108 Ca 0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 57.85 56.66 1jba n ARG 108 Cb 0.02 -0.97 0.03 0.00 -1.05 0.00 0.00 32.46 30.49 1jba n ARG 108 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1jba n ASN 109 N -0.80 1.35 0.00 2.89 5.03 -1.26 -4.75 115.26 117.72 1jba n ASN 109 Ca -0.06 -2.07 0.00 0.00 0.87 0.00 0.00 54.58 53.32 1jba n ASN 109 Cb 0.32 -0.51 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jba n GLY 110 N 0.05 0.78 3.01 7.41 0.00 -1.26 -4.90 105.19 110.28 1jba n GLY 110 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -1.79 2.72 0.11 0.00 1.01 -0.19 -4.88 121.20 118.17 1jba s ILE 112 Ca -0.12 -1.82 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 1jba s ILE 112 Cb -0.07 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1jba s ILE 112 CO -0.02 -0.16 0.30 -1.81 0.00 0.00 0.00 174.94 173.25 1jba s ASP 113 N -3.80 -0.05 0.17 3.58 1.01 -1.26 -2.48 116.67 113.84 1jba s ASP 113 Ca 0.37 -0.51 0.08 0.00 0.71 0.00 0.00 52.55 53.20 1jba s ASP 113 Cb -0.00 0.41 0.46 0.00 1.01 0.00 0.00 42.92 44.80 1jba s ASP 113 CO 0.21 -0.80 1.16 0.54 0.21 0.00 0.00 175.17 176.49 1jba n ARG 114 N -0.15 0.06 -0.09 8.23 1.74 -1.26 -1.70 116.66 123.50 1jba n ARG 114 Ca -0.15 0.49 -0.15 0.00 -0.77 0.00 0.00 57.85 57.26 1jba n ARG 114 Cb 0.63 -1.85 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 1jba n ARG 114 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1jba h GLN 115 N 0.00 0.00 -0.72 5.56 7.50 -1.99 -2.74 115.11 122.72 1jba h GLN 115 Ca 0.00 0.00 0.20 0.00 0.50 0.00 0.00 58.65 59.35 1jba h GLN 115 Cb 0.33 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.83 1jba h GLN 115 CO 0.00 0.77 0.51 0.93 -1.50 0.00 0.00 178.83 179.54 1jba h GLU 116 N -1.00 0.09 0.00 1.46 5.08 -1.63 -2.24 114.58 116.34 1jba h GLU 116 Ca -0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1jba h GLU 116 Cb 0.99 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1jba h GLU 116 CO -0.10 0.06 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.84 1jba h LEU 117 N 0.10 0.00 -1.08 1.33 3.38 -1.62 -2.57 115.31 114.84 1jba h LEU 117 Ca 0.35 -0.62 0.18 0.00 0.09 0.00 0.00 57.88 57.88 1jba h LEU 117 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1jba h LEU 117 CO -0.04 0.84 0.96 0.25 0.09 0.00 0.00 178.44 180.54 1jba h LEU 118 N -1.00 0.00 0.11 1.67 5.85 -1.09 2.02 115.31 122.86 1jba h LEU 118 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 1jba h LEU 118 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1jba h LEU 118 CO -0.01 0.00 -1.05 0.44 -0.34 0.00 0.00 178.44 177.48 1jba h ASP 119 N 0.00 0.35 0.34 1.25 3.32 -1.42 -2.59 116.42 117.68 1jba h ASP 119 Ca 0.29 -0.88 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 1jba h ASP 119 Cb 2.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.65 1jba h ASP 119 CO -0.00 1.47 -0.16 0.40 -1.72 0.00 0.00 179.24 179.22 1jba h ILE 120 N -0.45 0.59 -0.58 0.35 1.08 0.34 -2.79 117.51 116.05 1jba h ILE 120 Ca -0.22 -0.63 0.11 0.00 -0.39 0.00 0.00 64.86 63.73 1jba h ILE 120 Cb 1.61 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 36.15 1jba h ILE 120 CO 0.07 0.11 0.13 -0.37 -0.69 0.00 0.00 178.15 177.40 1jba h VAL 121 N -0.85 0.67 -1.07 1.67 -1.51 -0.37 0.50 116.25 115.29 1jba h VAL 121 Ca -0.05 -0.09 0.30 0.00 -1.23 0.00 0.00 66.70 65.63 1jba h VAL 121 Cb 0.53 0.37 -0.11 0.00 -2.13 0.00 0.00 31.29 29.95 1jba h VAL 121 CO 0.08 0.05 0.67 -0.33 -1.23 0.00 0.00 177.57 176.80 1jba h GLU 122 N 0.27 0.37 0.14 5.19 4.39 -1.40 2.22 114.58 125.76 1jba h GLU 122 Ca 0.30 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1jba h GLU 122 Cb 0.43 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1jba h GLU 122 CO -0.38 0.24 -0.07 0.77 -1.16 0.00 0.00 179.01 178.42 1jba h SER 123 N 0.38 -0.16 -0.07 1.42 0.02 0.24 0.33 113.55 115.71 1jba h SER 123 Ca 0.66 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1jba h SER 123 Cb 1.63 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 1jba h SER 123 CO -0.40 0.32 -0.09 0.40 -1.14 0.00 0.00 176.83 175.92 1jba h ILE 124 N -0.68 1.19 0.23 3.27 2.04 0.41 -2.86 117.51 121.11 1jba h ILE 124 Ca -0.02 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1jba h ILE 124 Cb 0.50 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1jba h ILE 124 CO 0.03 0.26 -0.11 0.22 0.00 0.00 0.00 178.15 178.55 1jba h TYR 125 N 0.33 -0.29 -0.62 1.37 3.20 0.36 -1.73 116.97 119.59 1jba h TYR 125 Ca 0.07 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.03 1jba h TYR 125 Cb 0.37 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.62 1jba h TYR 125 CO 0.01 0.10 -0.38 -0.22 -1.64 0.00 0.00 178.16 176.02 1jba h LYS 126 N -0.79 -0.17 -0.48 1.82 1.63 -0.82 0.15 116.57 117.91 1jba h LYS 126 Ca -0.03 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1jba h LYS 126 Cb 0.51 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 1jba h LYS 126 CO 0.05 -0.11 0.28 1.25 -3.45 0.00 0.00 179.45 177.47 1jba h LEU 127 N -0.18 0.45 -1.77 5.20 7.12 -1.56 -1.62 115.31 122.96 1jba h LEU 127 Ca 0.22 0.01 0.26 0.00 0.13 0.00 0.00 57.88 58.49 1jba h LEU 127 Cb 0.56 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.55 1jba h LEU 127 CO -0.71 0.32 0.66 0.50 -0.13 0.00 0.00 178.44 179.08 1jba h LYS 128 N 0.56 0.17 0.40 1.25 3.64 0.21 -1.70 116.57 121.11 1jba h LYS 128 Ca 0.19 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1jba h LYS 128 Cb 0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1jba h LYS 128 CO -0.09 0.11 -0.33 -0.22 -2.27 0.00 0.00 179.45 176.65 1jba h LYS 129 N 0.17 -0.71 -1.77 1.90 3.64 -0.23 -2.66 116.57 116.91 1jba h LYS 129 Ca 0.48 0.05 -0.48 0.00 -1.27 0.00 0.00 60.65 59.43 1jba h LYS 129 Cb 1.60 0.16 -0.18 0.00 -0.41 0.00 0.00 32.23 33.40 1jba h LYS 129 CO -0.10 -0.47 0.49 0.00 -2.27 0.00 0.00 179.45 177.10 1jba n ALA 130 N -2.59 6.04 -2.12 5.00 0.00 -0.65 -4.87 120.51 121.32 1jba n ALA 130 Ca -0.10 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1jba n ALA 130 Cb 0.35 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 0.00 -0.24 0.00 0.00 3.41 -1.26 -5.05 113.62 110.49 1jba n SER 132 Ca 0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1jba n SER 132 Cb 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1jba n SER 132 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1jba n VAL 133 N 0.13 0.00 0.32 -3.33 3.14 -1.26 -4.90 118.33 112.44 1jba n VAL 133 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1jba n VAL 133 Cb 0.78 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1jba n VAL 133 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba n GLU 134 N 0.00 0.18 -0.23 1.45 -0.58 -1.26 -4.77 120.64 115.43 1jba n GLU 134 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1jba n GLU 134 Cb 0.00 -1.02 -0.01 0.00 -0.57 0.00 0.00 31.44 29.84 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 -0.34 0.00 1.08 2.62 3.14 -1.26 -4.62 118.33 118.95 1jba n VAL 135 Ca 0.00 -0.10 0.10 0.00 -2.96 0.00 0.00 64.34 61.38 1jba n VAL 135 Cb 0.01 0.00 0.54 0.00 -1.06 0.00 0.00 33.84 33.33 1jba n VAL 135 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba n GLU 136 N 0.97 0.45 -0.56 1.45 1.02 -1.26 -4.03 120.64 118.68 1jba n GLU 136 Ca 0.04 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.18 1jba n GLU 136 Cb 0.08 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba n ALA 137 N -1.14 4.15 -1.00 0.62 0.00 -1.26 -4.65 120.51 117.22 1jba n ALA 137 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1jba n ALA 137 Cb 0.11 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 2.35 0.00 -0.00 0.00 1.02 -1.26 -4.51 120.64 118.25 1jba n GLU 138 Ca 0.20 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1jba n GLU 138 Cb 0.53 -0.25 -0.12 0.00 -0.02 0.00 0.00 31.44 31.58 1jba n GLU 138 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1jba n GLN 139 N 0.00 0.32 -2.02 3.49 7.27 -1.26 -5.08 117.38 120.10 1jba n GLN 139 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1jba n GLN 139 Cb 0.00 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1jba n GLN 140 N -1.89 -5.46 0.00 3.69 -0.06 -1.26 -5.02 117.38 107.37 1jba n GLN 140 Ca 0.00 3.89 0.00 0.00 -2.00 0.00 0.00 57.00 58.90 1jba n GLN 140 Cb 0.45 -4.27 0.00 0.00 -4.06 0.00 0.00 30.24 22.36 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jba n GLY 141 N 1.26 -1.35 0.08 1.69 0.00 -1.26 -4.95 105.19 100.66 1jba n GLY 141 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.46 1jba n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jba n LYS 142 N 0.00 0.66 0.00 1.61 4.81 -1.26 -4.95 118.16 119.03 1jba n LYS 142 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1jba n LYS 142 Cb 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jba n LEU 143 N -2.78 0.00 0.00 3.14 4.77 -1.26 -5.03 117.00 115.84 1jba n LEU 143 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1jba n LEU 143 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1jba n LEU 143 CO 0.44 -1.01 0.00 0.00 -1.33 0.00 0.00 177.39 175.49 1jba n LEU 144 N 0.00 0.00 -4.18 2.23 -0.00 -1.26 -5.12 117.00 108.67 1jba n LEU 144 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1jba n LEU 144 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1jba n LEU 144 CO 0.00 -0.48 -0.29 0.28 -0.00 0.00 0.00 177.39 176.90 1jba s THR 145 N 0.27 0.20 0.63 1.47 -1.32 -1.26 -4.88 115.64 110.75 1jba s THR 145 Ca 0.00 -1.94 0.32 0.00 -1.21 0.00 0.00 61.69 58.87 1jba s THR 145 Cb 0.00 -2.14 0.36 0.00 -1.51 0.00 0.00 72.50 69.21 1jba s THR 145 CO 0.00 -0.39 2.07 -0.65 -2.21 0.00 0.00 174.62 173.45 1jba h PRO 146 N 2.79 0.00 0.00 7.08 0.10 -2.00 0.78 132.00 140.74 1jba h PRO 146 Ca -0.36 0.00 -0.20 0.00 0.10 0.00 0.00 66.00 65.55 1jba h PRO 146 Cb 1.21 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.28 1jba h PRO 146 CO 0.59 0.00 -1.14 1.05 0.10 0.00 0.00 178.00 178.60 1jba h GLU 147 N 0.00 0.00 0.45 1.05 4.11 -1.97 -3.30 114.58 114.92 1jba h GLU 147 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 1jba h GLU 147 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jba h GLU 147 CO -0.00 0.61 -0.21 1.49 0.07 0.00 0.00 179.01 180.97 1jba h GLU 148 N 0.00 -0.58 -1.21 1.06 4.81 -1.24 -2.83 114.58 114.59 1jba h GLU 148 Ca -0.11 0.04 0.38 0.00 -0.13 0.00 0.00 59.36 59.54 1jba h GLU 148 Cb 1.70 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 31.09 1jba h GLU 148 CO 0.08 -0.34 0.78 -0.39 -0.73 0.00 0.00 179.01 178.41 1jba h VAL 149 N -1.12 0.25 0.11 0.32 -1.51 -1.67 0.45 116.25 113.09 1jba h VAL 149 Ca -0.06 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 1jba h VAL 149 Cb 0.51 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1jba h VAL 149 CO 0.10 0.03 -0.05 0.58 -1.23 0.00 0.00 177.57 177.00 1jba h VAL 150 N 0.18 0.98 0.00 7.19 2.07 -1.62 -1.21 116.25 123.84 1jba h VAL 150 Ca 0.75 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.93 1jba h VAL 150 Cb 2.20 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1jba h VAL 150 CO -0.39 0.08 0.00 -0.67 0.02 0.00 0.00 177.57 176.61 1jba n ASP 151 N -5.08 0.28 -0.07 0.57 -0.08 0.14 -1.86 116.55 110.45 1jba n ASP 151 Ca -0.08 0.59 -0.09 0.00 -1.51 0.00 0.00 54.79 53.70 1jba n ASP 151 Cb 0.15 -0.64 -0.06 0.00 2.34 0.00 0.00 41.12 42.90 1jba n ASP 151 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1jba h ARG 152 N 0.00 0.00 -0.37 -0.67 2.43 -0.17 -2.61 114.38 112.99 1jba h ARG 152 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jba h ARG 152 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1jba h ARG 152 CO 0.00 0.49 0.24 0.82 -1.51 0.00 0.00 179.97 180.01 1jba h ILE 153 N -1.00 1.10 0.14 1.20 2.04 -1.10 0.14 117.51 120.03 1jba h ILE 153 Ca -0.07 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1jba h ILE 153 Cb 0.64 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1jba h ILE 153 CO -0.04 0.10 -0.07 0.15 0.00 0.00 0.00 178.15 178.29 1jba h PHE 154 N 0.50 -0.17 -0.60 1.37 3.57 -1.49 -2.77 116.94 117.35 1jba h PHE 154 Ca 0.14 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.75 1jba h PHE 154 Cb -0.05 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.65 1jba h PHE 154 CO 0.00 -0.11 0.01 1.25 -2.23 0.00 0.00 178.31 177.23 1jba h LEU 155 N -0.32 -0.24 -0.67 0.59 7.12 -1.42 -0.78 115.31 119.59 1jba h LEU 155 Ca -0.02 0.14 0.11 0.00 0.13 0.00 0.00 57.88 58.25 1jba h LEU 155 Cb 0.14 0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 40.40 1jba h LEU 155 CO 0.03 -0.10 -0.34 0.25 -0.13 0.00 0.00 178.44 178.15 1jba h LEU 156 N 0.13 -1.21 -5.71 2.25 5.85 -0.80 -2.31 115.31 113.52 1jba h LEU 156 Ca 0.31 0.24 -0.68 0.00 0.84 0.00 0.00 57.88 58.60 1jba h LEU 156 Cb 0.49 0.61 -0.36 0.00 0.37 0.00 0.00 40.66 41.77 1jba h LEU 156 CO -0.50 -0.30 0.02 0.55 -0.34 0.00 0.00 178.44 177.87 1jba n VAL 157 N -5.44 4.25 -2.80 1.05 3.14 -0.40 -4.84 118.33 113.28 1jba n VAL 157 Ca 0.05 -5.74 -0.00 0.00 -2.96 0.00 0.00 64.34 55.70 1jba n VAL 157 Cb 0.36 -1.49 0.01 0.00 -1.06 0.00 0.00 33.84 31.67 1jba n VAL 157 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba s ASP 158 N -2.62 -0.57 -0.08 6.55 2.15 -0.60 -4.70 116.67 116.80 1jba s ASP 158 Ca 0.45 -0.42 0.15 0.00 0.43 0.00 0.00 52.55 53.15 1jba s ASP 158 Cb 0.24 0.74 -0.23 0.00 -0.30 0.00 0.00 42.92 43.37 1jba s ASP 158 CO -0.13 -0.05 0.51 1.21 -0.17 0.00 0.00 175.17 176.55 1jba n GLU 159 N 3.43 0.65 0.13 4.34 4.07 -1.26 -4.03 120.64 127.97 1jba n GLU 159 Ca 0.09 0.20 0.18 0.00 -0.06 0.00 0.00 57.16 57.57 1jba n GLU 159 Cb 0.62 -1.72 0.77 0.00 -0.06 0.00 0.00 31.44 31.05 1jba n GLU 159 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1jba h ASN 160 N 0.00 0.00 0.00 4.31 4.21 -1.96 -3.43 115.58 118.71 1jba h ASN 160 Ca -0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.17 1jba h ASN 160 Cb 2.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.22 1jba h ASN 160 CO 0.06 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.81 1jba n GLY 161 N -1.48 0.00 0.31 2.83 0.00 -1.26 -4.68 105.19 100.91 1jba n GLY 161 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.29 0.21 -1.98 1.61 5.75 -1.26 -4.70 116.55 116.47 1jba n ASP 162 Ca 0.00 -0.69 -0.18 0.00 -0.01 0.00 0.00 54.79 53.91 1jba n ASP 162 Cb 0.30 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.14 0.58 2.60 6.12 0.00 -1.26 -4.92 105.19 108.45 1jba n GLY 163 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1jba n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jba s GLN 164 N -4.29 0.16 -0.74 1.61 -1.52 -1.26 -4.93 119.66 108.69 1jba s GLN 164 Ca 0.00 -0.27 -0.20 0.00 -1.95 0.00 0.00 55.36 52.94 1jba s GLN 164 Cb 0.00 -1.36 0.10 0.00 -0.22 0.00 0.00 33.01 31.53 1jba s GLN 164 CO 0.00 -0.86 0.96 -1.17 -0.25 0.00 0.00 175.29 173.97 1jba s LEU 165 N 2.16 4.87 0.88 2.90 2.96 -1.03 -4.91 118.68 126.49 1jba s LEU 165 Ca 0.06 -1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 52.39 1jba s LEU 165 Cb -0.16 -2.38 0.15 0.00 0.50 0.00 0.00 46.19 44.30 1jba s LEU 165 CO -0.24 -1.23 1.22 -0.94 -1.32 0.00 0.00 176.35 173.84 1jba s SER 166 N 3.62 3.72 0.02 3.68 1.04 -1.26 -1.02 113.70 123.50 1jba s SER 166 Ca 0.23 0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.71 1jba s SER 166 Cb -0.14 -0.54 -0.17 0.00 0.10 0.00 0.00 66.02 65.27 1jba s SER 166 CO 0.03 -2.35 1.34 0.25 0.98 0.00 0.00 173.24 173.49 1jba h LEU 167 N -1.28 -0.37 -0.91 2.42 5.85 -1.96 -2.70 115.31 116.35 1jba h LEU 167 Ca -0.44 -0.14 0.31 0.00 0.84 0.00 0.00 57.88 58.45 1jba h LEU 167 Cb 1.27 0.10 -0.17 0.00 0.37 0.00 0.00 40.66 42.22 1jba h LEU 167 CO 0.46 -0.06 0.22 0.59 -0.34 0.00 0.00 178.44 179.31 1jba n ASN 168 N -5.17 0.07 -0.07 1.25 4.13 -1.26 0.12 115.26 114.32 1jba n ASN 168 Ca -0.10 1.54 -0.13 0.00 1.68 0.00 0.00 54.58 57.57 1jba n ASN 168 Cb 0.26 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.80 1jba n ASN 168 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1jba h GLU 169 N 0.00 0.51 0.19 3.52 5.08 -1.90 -2.84 114.58 119.13 1jba h GLU 169 Ca 0.65 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1jba h GLU 169 Cb 1.53 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 1jba h GLU 169 CO -0.80 0.85 -0.26 0.35 -1.00 0.00 0.00 179.01 178.15 1jba h PHE 170 N 0.18 -0.73 -0.79 4.33 3.57 0.12 -2.18 116.94 121.44 1jba h PHE 170 Ca 0.03 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.73 1jba h PHE 170 Cb 0.76 0.29 -0.13 0.00 2.79 0.00 0.00 35.95 39.67 1jba h PHE 170 CO 0.08 -0.33 0.14 -0.39 -2.23 0.00 0.00 178.31 175.58 1jba h VAL 171 N -0.47 0.39 -0.70 1.41 -1.51 -1.40 1.63 116.25 115.61 1jba h VAL 171 Ca -0.02 -0.07 0.20 0.00 -1.23 0.00 0.00 66.70 65.58 1jba h VAL 171 Cb 0.42 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 29.74 1jba h VAL 171 CO -0.07 0.04 0.50 -0.33 -1.23 0.00 0.00 177.57 176.48 1jba h GLU 172 N 0.19 0.01 0.00 5.19 5.08 -1.19 2.31 114.58 126.18 1jba h GLU 172 Ca 0.46 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1jba h GLU 172 Cb 0.84 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1jba h GLU 172 CO -0.61 0.00 -1.63 0.41 -1.00 0.00 0.00 179.01 176.18 1jba n GLY 173 N -1.67 -0.80 0.01 -3.84 0.00 0.30 -4.38 105.19 94.80 1jba n GLY 173 Ca 0.14 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.99 3.75 -0.04 4.61 0.00 0.48 -3.01 120.51 124.31 1jba n ALA 174 Ca -0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1jba n ALA 174 Cb 0.44 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 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 0.25 0.00 0.00 9.65 0.36 -3.37 114.38 121.27 1jba h ARG 175 Ca 0.00 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1jba h ARG 175 Cb 0.76 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1jba h ARG 175 CO 0.00 0.67 -0.38 0.00 2.80 0.00 0.00 179.97 183.06 1jba h ARG 176 N -0.16 0.00 -2.27 0.20 3.08 -1.76 -3.50 114.38 109.96 1jba h ARG 176 Ca 0.01 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.33 1jba h ARG 176 Cb 0.63 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 1jba h ARG 176 CO 0.03 0.04 -0.39 -0.40 -1.07 0.00 0.00 179.97 178.17 1jba n ASP 177 N -4.66 -5.92 0.00 7.04 5.68 -1.16 -4.95 116.55 112.58 1jba n ASP 177 Ca -0.06 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1jba n ASP 177 Cb 0.20 -3.24 0.00 0.00 -1.14 0.00 0.00 41.12 36.94 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1jba n LYS 178 N -3.14 0.00 0.00 0.11 4.81 -1.26 -4.92 118.16 113.76 1jba n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jba n LYS 178 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 1jba n LYS 178 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 1jba n TRP 179 N 0.00 0.00 0.03 5.64 4.27 -1.26 -4.99 117.44 121.12 1jba n TRP 179 Ca 0.00 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.55 1jba n TRP 179 Cb 0.01 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 29.92 1jba n TRP 179 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1jba h VAL 180 N 0.08 0.40 -1.23 -1.67 2.07 -1.92 -2.82 116.25 111.16 1jba h VAL 180 Ca 0.00 -1.10 0.40 0.00 0.82 0.00 0.00 66.70 66.82 1jba h VAL 180 Cb 0.04 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 30.41 1jba h VAL 180 CO 0.00 0.12 0.78 -0.03 0.02 0.00 0.00 177.57 178.47 1jba h MET 181 N -1.01 0.15 0.16 1.57 4.05 -1.92 1.78 114.93 119.72 1jba h MET 181 Ca -0.02 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1jba h MET 181 Cb 0.34 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1jba h MET 181 CO 0.03 0.10 -0.08 0.87 0.23 0.00 0.00 176.91 178.06 1jba h LYS 182 N 0.15 -0.21 0.00 0.39 1.57 -1.86 -0.28 116.57 116.33 1jba h LYS 182 Ca 0.78 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 1jba h LYS 182 Cb 2.31 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.67 1jba h LYS 182 CO -0.43 -0.14 0.00 1.98 -0.57 0.00 0.00 179.45 180.29 1jba h MET 183 N -0.47 0.00 0.00 3.15 4.05 -1.04 0.39 114.93 121.01 1jba h MET 183 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1jba h MET 183 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1jba h MET 183 CO 0.04 0.00 0.00 -0.11 0.23 0.00 0.00 176.91 177.07 1jba n LEU 184 N -2.86 1.32 0.00 3.39 7.94 0.60 -4.36 117.00 123.04 1jba n LEU 184 Ca -0.02 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.90 1jba n LEU 184 Cb 0.09 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.17 1jba n LEU 184 CO 0.18 0.00 0.30 1.67 -1.11 0.00 0.00 177.39 178.44 1jba n GLN 185 N -0.92 0.25 0.00 1.96 7.27 -0.12 -4.91 117.38 120.91 1jba n GLN 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1jba n GLN 185 Cb 0.00 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.39 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 -0.76 0.00 0.00 3.69 0.00 0.13 -4.62 117.12 115.55 1jba n MET 186 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.73 1jba n MET 186 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.23 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 -2.95 0.00 0.00 6.12 8.00 -1.26 -4.46 116.55 122.00 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 0.18 -0.39 0.00 0.00 177.20 176.99 1jba n LEU 188 N 0.00 0.03 0.11 0.64 4.32 -1.26 -4.63 117.00 116.20 1jba n LEU 188 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1jba n LEU 188 Cb 0.00 -0.51 -0.13 0.00 -1.62 0.00 0.00 43.42 41.17 1jba n LEU 188 CO 0.00 -0.02 -0.05 0.78 -1.22 0.00 0.00 177.39 176.88 1jba h ASN 189 N 0.00 0.62 0.00 -1.43 4.21 -1.96 -3.51 115.58 113.50 1jba h ASN 189 Ca 0.00 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 56.90 1jba h ASN 189 Cb 0.00 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 1jba h ASN 189 CO 0.00 1.46 0.00 -0.81 -1.29 0.00 0.00 177.43 176.79