#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba h GLN 3 N 0.00 0.51 -6.21 1.61 4.15 -2.10 -3.44 115.11 109.62 1jba h GLN 3 Ca 0.00 -0.54 -0.68 0.00 0.77 0.00 0.00 58.65 58.20 1jba h GLN 3 Cb 0.00 0.15 0.02 0.00 0.21 0.00 0.00 27.48 27.86 1jba h GLN 3 CO 0.00 1.18 0.98 1.04 -1.93 0.00 0.00 178.83 180.09 1jba n GLN 4 N -3.78 1.61 -0.77 1.69 1.13 -1.26 -4.88 117.38 111.12 1jba n GLN 4 Ca -0.08 0.59 -0.33 0.00 -1.94 0.00 0.00 57.00 55.24 1jba n GLN 4 Cb 0.85 -2.35 0.13 0.00 0.11 0.00 0.00 30.24 28.98 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1jba n PHE 5 N 5.84 -1.62 -2.47 1.08 3.72 -1.26 -5.00 117.46 117.74 1jba n PHE 5 Ca 0.24 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1jba n PHE 5 Cb 0.20 -1.70 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 1jba n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jba n SER 6 N -1.13 0.00 -4.65 4.37 2.88 -1.26 -4.94 113.62 108.89 1jba n SER 6 Ca 0.04 -0.43 -0.30 0.00 -1.33 0.00 0.00 58.87 56.85 1jba n SER 6 Cb 0.57 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 1jba n SER 6 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1jba s TRP 7 N -5.44 2.90 0.10 0.66 0.51 -1.26 -5.03 118.94 111.38 1jba s TRP 7 Ca 0.00 -0.07 -0.16 0.00 -2.12 0.00 0.00 56.10 53.75 1jba s TRP 7 Cb 0.00 -1.50 -0.06 0.00 -0.81 0.00 0.00 33.47 31.10 1jba s TRP 7 CO 0.00 0.46 1.49 0.93 -0.51 0.00 0.00 176.95 179.32 1jba h GLU 8 N 3.54 0.65 0.00 4.98 3.07 -2.02 -2.65 114.58 122.15 1jba h GLU 8 Ca -0.48 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.12 1jba h GLU 8 Cb 1.17 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1jba h GLU 8 CO 0.57 0.84 0.00 0.39 -1.40 0.00 0.00 179.01 179.41 1jba n GLU 9 N -4.41 0.00 -0.31 2.33 4.71 -1.26 0.30 120.64 122.00 1jba n GLU 9 Ca -0.03 0.24 0.17 0.00 -0.01 0.00 0.00 57.16 57.53 1jba n GLU 9 Cb 0.35 -0.82 0.35 0.00 -1.01 0.00 0.00 31.44 30.31 1jba n GLU 9 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jba h ALA 10 N -2.26 1.48 -0.55 0.62 0.00 -1.92 0.56 119.26 117.19 1jba h ALA 10 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1jba h ALA 10 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jba h ALA 10 CO 0.00 -0.51 0.09 1.49 0.00 0.00 0.00 179.25 180.32 1jba h GLU 11 N 0.23 0.88 0.00 0.00 4.22 -1.04 -1.40 114.58 117.47 1jba h GLU 11 Ca 0.61 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.85 1jba h GLU 11 Cb 1.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jba h GLU 11 CO -0.66 0.82 0.00 -1.91 -2.18 0.00 0.00 179.01 175.08 1jba n GLU 12 N -4.24 0.51 -3.60 1.92 0.00 0.88 -4.56 120.64 111.54 1jba n GLU 12 Ca 0.04 0.03 -0.40 0.00 0.00 0.00 0.00 57.16 56.83 1jba n GLU 12 Cb 0.26 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.09 1jba n GLU 12 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1jba s ASN 13 N -2.39 5.72 0.00 4.31 0.01 -0.39 -5.02 114.94 117.18 1jba s ASN 13 Ca 0.29 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1jba s ASN 13 Cb 0.17 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.81 1jba s ASN 13 CO 0.36 -0.37 0.47 0.61 -1.51 0.00 0.00 177.10 176.67 1jba n GLY 14 N 5.00 -3.04 2.80 0.66 0.00 -1.26 -3.49 105.19 105.86 1jba n GLY 14 Ca -0.12 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.74 5.10 -0.90 4.61 0.00 -1.26 -4.96 120.51 122.36 1jba n ALA 15 Ca 0.00 -3.75 -0.34 0.00 0.00 0.00 0.00 53.44 49.34 1jba n ALA 15 Cb 0.00 -3.56 0.08 0.00 0.00 0.00 0.00 19.45 15.98 1jba n ALA 15 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1jba n VAL 16 N 5.27 0.06 0.00 0.00 3.14 -1.23 -4.80 118.33 120.77 1jba n VAL 16 Ca 0.52 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 1jba n VAL 16 Cb 0.39 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jba n GLY 17 N 2.35 -0.13 1.95 7.55 0.00 -1.26 -5.02 105.19 110.62 1jba n GLY 17 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 5.25 0.00 4.61 0.00 -1.26 -4.78 120.51 124.33 1jba n ALA 18 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1jba n ALA 18 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N 0.34 0.00 -1.00 0.00 0.00 -1.26 -4.80 120.51 113.80 1jba n ALA 19 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1jba n ALA 19 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1jba n ALA 19 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jba n ASP 20 N 0.53 0.00 -0.32 0.00 5.75 -1.26 -1.75 116.55 119.49 1jba n ASP 20 Ca 0.00 0.18 0.19 0.00 -0.01 0.00 0.00 54.79 55.15 1jba n ASP 20 Cb 0.00 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.46 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jba n ALA 21 N -2.20 0.64 -0.34 2.12 0.00 -1.26 0.18 120.51 119.65 1jba n ALA 21 Ca 0.00 1.00 0.22 0.00 0.00 0.00 0.00 53.44 54.66 1jba n ALA 21 Cb 0.00 -0.81 0.46 0.00 0.00 0.00 0.00 19.45 19.10 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 1.89 2.04 0.02 0.00 0.00 -1.88 0.53 119.26 121.86 1jba h ALA 22 Ca 0.65 0.12 -0.24 0.00 0.00 0.00 0.00 54.91 55.44 1jba h ALA 22 Cb 1.49 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.35 1jba h ALA 22 CO -0.83 -0.54 -1.00 1.96 0.00 0.00 0.00 179.25 178.84 1jba h GLN 23 N 0.43 0.43 -0.31 0.00 1.08 0.27 -2.74 115.11 114.27 1jba h GLN 23 Ca 0.67 -0.49 -0.14 0.00 -1.45 0.00 0.00 58.65 57.23 1jba h GLN 23 Cb 1.52 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 29.09 1jba h GLN 23 CO -0.45 1.15 -0.37 -0.07 -0.95 0.00 0.00 178.83 178.14 1jba h LEU 24 N 0.23 0.76 0.03 1.46 -0.00 0.13 -1.14 115.31 116.78 1jba h LEU 24 Ca -0.09 -0.33 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1jba h LEU 24 Cb 1.64 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1jba h LEU 24 CO 0.17 1.05 -0.01 -0.61 -0.00 0.00 0.00 178.44 179.04 1jba h GLN 25 N 0.60 -0.03 0.00 1.13 -0.00 -0.23 -2.07 115.11 114.50 1jba h GLN 25 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1jba h GLN 25 Cb 0.91 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.40 1jba h GLN 25 CO 0.08 0.29 -0.00 1.49 0.00 0.00 0.00 178.83 180.68 1jba h GLU 26 N -0.36 0.00 0.07 1.69 4.81 -1.48 -2.43 114.58 116.89 1jba h GLU 26 Ca -0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1jba h GLU 26 Cb 0.34 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.73 1jba h GLU 26 CO 0.01 0.00 -1.13 -1.49 -0.73 0.00 0.00 179.01 175.67 1jba h TRP 27 N 0.00 0.85 -0.14 0.92 4.06 -0.81 -2.51 115.95 118.31 1jba h TRP 27 Ca -0.00 -0.51 -0.13 0.00 2.06 0.00 0.00 58.89 60.32 1jba h TRP 27 Cb 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1jba h TRP 27 CO 0.00 1.35 -0.40 -0.92 -3.56 0.00 0.00 178.44 174.91 1jba h TYR 28 N 0.26 0.68 0.49 0.49 5.03 -0.93 -1.14 116.97 121.85 1jba h TYR 28 Ca -0.14 -0.27 -0.02 0.00 2.58 0.00 0.00 58.73 60.88 1jba h TYR 28 Cb 1.79 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.96 1jba h TYR 28 CO 0.09 1.02 -0.23 -0.22 -1.32 0.00 0.00 178.16 177.49 1jba h LYS 29 N 0.15 -0.63 0.00 1.82 1.63 -1.55 -2.76 116.57 115.23 1jba h LYS 29 Ca -0.01 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1jba h LYS 29 Cb 1.01 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1jba h LYS 29 CO 0.09 -0.35 0.00 -0.22 -3.45 0.00 0.00 179.45 175.51 1jba h LYS 30 N -0.81 0.00 -0.12 1.90 3.64 -1.54 -2.13 116.57 117.50 1jba h LYS 30 Ca -0.07 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1jba h LYS 30 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1jba h LYS 30 CO 0.11 0.00 -0.43 0.35 -2.27 0.00 0.00 179.45 177.21 1jba h PHE 31 N 0.00 0.67 0.00 1.91 3.57 -0.93 -3.26 116.94 118.90 1jba h PHE 31 Ca 0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1jba h PHE 31 Cb 0.36 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1jba h PHE 31 CO 0.00 1.03 -0.52 1.28 -2.23 0.00 0.00 178.31 177.88 1jba n LEU 32 N -4.28 0.52 0.05 0.59 4.32 -1.07 -3.28 117.00 113.85 1jba n LEU 32 Ca -0.07 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.01 1jba n LEU 32 Cb 0.56 -0.24 0.40 0.00 -1.62 0.00 0.00 43.42 42.51 1jba n LEU 32 CO 0.45 0.12 0.79 1.21 -1.22 0.00 0.00 177.39 178.74 1jba n GLU 33 N -1.53 0.08 0.00 3.23 2.13 -0.81 -2.17 120.64 121.57 1jba n GLU 33 Ca 0.05 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1jba n GLU 33 Cb 0.34 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1jba n GLU 33 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jba n GLU 34 N -1.81 2.41 -2.95 5.31 4.07 -1.24 -4.83 120.64 121.60 1jba n GLU 34 Ca 0.03 -0.28 -0.15 0.00 -0.06 0.00 0.00 57.16 56.70 1jba n GLU 34 Cb 0.21 -0.77 -0.00 0.00 -0.06 0.00 0.00 31.44 30.81 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba n PRO 36 N 1.49 0.76 0.00 0.00 -0.02 -1.02 -3.85 135.00 132.36 1jba n PRO 36 Ca 0.14 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1jba n PRO 36 Cb 0.59 -3.42 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 1jba n PRO 36 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jba n SER 37 N 16.71 0.00 -2.19 2.55 2.88 -1.26 -4.99 113.62 127.32 1jba n SER 37 Ca 0.43 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.77 1jba n SER 37 Cb 0.46 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N 0.00 0.15 3.28 0.46 0.00 -1.25 -4.94 105.19 102.89 1jba n GLY 38 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -2.97 0.10 -0.07 2.61 -4.23 -1.26 -4.83 115.64 104.98 1jba s THR 39 Ca 0.00 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1jba s THR 39 Cb 0.00 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.59 1jba s THR 39 CO 0.00 -0.43 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.29 1jba s LEU 40 N -2.83 1.65 0.37 4.79 0.20 -0.78 -5.00 118.68 117.07 1jba s LEU 40 Ca 0.04 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.53 1jba s LEU 40 Cb 0.03 -0.89 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 1jba s LEU 40 CO -0.11 0.03 0.58 -0.36 -0.29 0.00 0.00 176.35 176.20 1jba s PHE 41 N 0.74 3.48 0.54 5.38 0.08 -1.26 -2.15 117.98 124.79 1jba s PHE 41 Ca -0.13 0.37 0.22 0.00 0.12 0.00 0.00 56.93 57.52 1jba s PHE 41 Cb -0.16 -1.96 1.50 0.00 -0.57 0.00 0.00 43.02 41.84 1jba s PHE 41 CO 0.03 0.05 2.18 0.00 -0.10 0.00 0.00 175.22 177.38 1jba h MET 42 N 0.68 0.00 0.40 0.44 -0.00 -1.96 -1.89 114.93 112.60 1jba h MET 42 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.19 1jba h MET 42 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 1jba h MET 42 CO 0.61 0.02 -0.19 1.25 -0.00 0.00 0.00 176.91 178.60 1jba h HIS 43 N 0.00 -0.50 0.00 -0.10 6.17 -2.00 -2.50 115.15 116.22 1jba h HIS 43 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1jba h HIS 43 Cb 0.04 0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.13 1jba h HIS 43 CO 0.00 -0.31 0.09 -1.91 0.71 0.00 0.00 177.93 176.51 1jba n GLU 44 N -4.74 0.10 0.03 5.26 0.00 -1.14 -1.16 120.64 118.99 1jba n GLU 44 Ca -0.07 0.58 -0.19 0.00 0.00 0.00 0.00 57.16 57.48 1jba n GLU 44 Cb 0.21 -1.92 -0.14 0.00 0.00 0.00 0.00 31.44 29.59 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1jba h PHE 45 N 0.00 0.44 -0.49 4.31 3.57 -1.22 -2.43 116.94 121.12 1jba h PHE 45 Ca 0.00 -0.32 -0.07 0.00 3.53 0.00 0.00 57.97 61.11 1jba h PHE 45 Cb 0.18 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1jba h PHE 45 CO 0.00 1.28 0.02 -0.22 -2.23 0.00 0.00 178.31 177.16 1jba h LYS 46 N -0.48 0.79 0.48 1.11 3.11 -0.68 -2.65 116.57 118.26 1jba h LYS 46 Ca -0.13 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 57.48 1jba h LYS 46 Cb 1.54 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.68 1jba h LYS 46 CO 0.12 0.78 -0.23 0.00 -2.81 0.00 0.00 179.45 177.31 1jba h ARG 47 N 0.75 -0.62 -0.04 1.90 3.08 -1.51 0.35 114.38 118.30 1jba h ARG 47 Ca 0.15 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1jba h ARG 47 Cb 0.42 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1jba h ARG 47 CO 0.02 -0.32 -0.03 0.35 -1.07 0.00 0.00 179.97 178.92 1jba h PHE 48 N -1.02 -0.09 -0.00 3.04 3.04 -1.40 2.27 116.94 122.78 1jba h PHE 48 Ca -0.07 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1jba h PHE 48 Cb 0.59 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 1jba h PHE 48 CO 0.01 -0.02 -0.10 0.74 -2.02 0.00 0.00 178.31 176.92 1jba h PHE 49 N -0.01 -0.29 -3.55 0.41 0.04 -1.57 -3.32 116.94 108.65 1jba h PHE 49 Ca 0.01 0.01 -0.70 0.00 2.80 0.00 0.00 57.97 60.08 1jba h PHE 49 Cb 0.02 0.13 -0.35 0.00 2.20 0.00 0.00 35.95 37.95 1jba h PHE 49 CO -0.78 -0.10 -0.35 0.15 -0.60 0.00 0.00 178.31 176.63 1jba s LYS 50 N -3.49 2.59 0.43 1.51 1.02 0.11 -4.92 119.74 116.99 1jba s LYS 50 Ca -0.03 -2.51 0.23 0.00 0.02 0.00 0.00 55.97 53.68 1jba s LYS 50 Cb 0.01 -3.76 0.34 0.00 -0.52 0.00 0.00 37.83 33.90 1jba s LYS 50 CO 0.11 -1.18 1.60 -0.24 -0.92 0.00 0.00 175.35 174.73 1jba h VAL 51 N 5.29 0.08 -3.11 3.17 3.04 0.37 -3.32 116.25 121.77 1jba h VAL 51 Ca -0.01 -1.10 -0.53 0.00 -1.01 0.00 0.00 66.70 64.05 1jba h VAL 51 Cb 0.96 2.03 0.04 0.00 -2.01 0.00 0.00 31.29 32.31 1jba h VAL 51 CO 0.72 0.05 0.79 -2.84 -1.01 0.00 0.00 177.57 175.27 1jba s PRO 52 N -3.20 4.26 0.36 4.17 0.02 -1.26 -4.95 135.00 134.40 1jba s PRO 52 Ca 0.07 2.27 -0.27 0.00 0.02 0.00 0.00 61.00 63.08 1jba s PRO 52 Cb 0.05 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1jba s PRO 52 CO 0.67 -0.48 1.27 -0.51 -0.33 0.00 0.00 177.00 177.62 1jba s ASP 53 N 0.77 6.63 0.00 2.53 1.11 -1.26 -4.76 116.67 121.69 1jba s ASP 53 Ca 0.64 2.59 0.00 0.00 0.18 0.00 0.00 52.55 55.96 1jba s ASP 53 Cb -0.41 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 40.94 1jba s ASP 53 CO 0.36 -0.62 0.00 -0.46 1.18 0.00 0.00 175.17 175.63 1jba n ASN 54 N 0.51 0.00 -4.15 0.27 6.94 -1.26 -5.03 115.26 112.54 1jba n ASN 54 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.27 1jba n ASN 54 Cb 0.43 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.80 1jba n ASN 54 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jba n GLU 55 N -0.10 -1.72 0.02 -3.83 1.02 -1.26 -4.72 120.64 110.06 1jba n GLU 55 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1jba n GLU 55 Cb 0.00 -3.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.58 1jba n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jba n GLU 56 N -4.55 0.00 0.00 3.49 1.02 -1.26 -4.82 120.64 114.52 1jba n GLU 56 Ca -0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 1jba n GLU 56 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.10 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 -2.60 2.42 0.51 0.62 0.00 -1.26 -3.23 120.51 116.96 1jba n ALA 57 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1jba n ALA 57 Cb 0.00 -1.00 0.33 0.00 0.00 0.00 0.00 19.45 18.78 1jba n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h THR 58 N 0.00 0.00 -0.48 0.00 1.03 -1.95 -3.24 112.91 108.26 1jba h THR 58 Ca 0.00 -0.63 -0.07 0.00 -0.01 0.00 0.00 66.41 65.69 1jba h THR 58 Cb 0.19 1.63 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 1jba h THR 58 CO 0.00 0.00 0.01 -0.61 -0.01 0.00 0.00 175.52 174.91 1jba h GLN 59 N 0.00 0.85 0.79 0.00 -0.00 -1.95 -2.45 115.11 112.35 1jba h GLN 59 Ca 0.00 -0.26 -0.04 0.00 -0.00 0.00 0.00 58.65 58.35 1jba h GLN 59 Cb 0.82 -0.08 0.01 0.00 0.00 0.00 0.00 27.48 28.22 1jba h GLN 59 CO 0.00 0.88 -0.38 -0.92 0.00 0.00 0.00 178.83 178.41 1jba h TYR 60 N 0.71 -0.98 -0.64 3.99 3.20 -1.84 -2.70 116.97 118.71 1jba h TYR 60 Ca 0.14 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.09 1jba h TYR 60 Cb 0.49 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 38.97 1jba h TYR 60 CO 0.04 -0.61 -0.36 0.28 -1.64 0.00 0.00 178.16 175.86 1jba h VAL 61 N -1.26 0.13 -0.83 1.81 2.07 -1.66 0.51 116.25 117.01 1jba h VAL 61 Ca -0.11 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.62 1jba h VAL 61 Cb 0.81 0.13 -0.13 0.00 -1.52 0.00 0.00 31.29 30.58 1jba h VAL 61 CO 0.18 0.00 0.19 -0.08 0.02 0.00 0.00 177.57 177.88 1jba h GLU 62 N -0.16 0.21 -0.97 1.57 4.57 -1.44 0.93 114.58 119.30 1jba h GLU 62 Ca 0.23 -0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.60 1jba h GLU 62 Cb 0.56 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.01 1jba h GLU 62 CO -0.72 0.14 0.61 0.00 -1.18 0.00 0.00 179.01 177.86 1jba h ALA 63 N 1.73 1.93 0.57 2.92 0.00 0.35 -0.50 119.26 126.27 1jba h ALA 63 Ca 0.50 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1jba h ALA 63 Cb 0.96 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1jba h ALA 63 CO -0.62 -0.27 -0.27 1.98 0.00 0.00 0.00 179.25 180.07 1jba h MET 64 N 0.60 -0.74 0.00 0.00 1.85 0.12 -1.79 114.93 114.97 1jba h MET 64 Ca 0.53 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.67 1jba h MET 64 Cb 1.04 0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1jba h MET 64 CO -0.28 -0.43 0.00 0.34 -0.40 0.00 0.00 176.91 176.14 1jba n PHE 65 N -5.33 0.00 -0.10 1.39 -0.00 -0.70 -0.19 117.46 112.53 1jba n PHE 65 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.15 1jba n PHE 65 Cb 0.34 -0.49 -0.10 0.00 -0.00 0.00 0.00 39.48 39.23 1jba n PHE 65 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1jba h ARG 66 N 0.00 0.00 0.00 -4.13 2.43 -0.62 -3.23 114.38 108.84 1jba h ARG 66 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jba h ARG 66 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1jba h ARG 66 CO 0.00 0.81 -0.43 0.00 -1.51 0.00 0.00 179.97 178.84 1jba n ALA 67 N -3.42 3.13 -0.06 2.80 0.00 -0.72 -3.77 120.51 118.47 1jba n ALA 67 Ca -0.26 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 1jba n ALA 67 Cb 0.59 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -1.68 0.15 0.00 0.00 -0.00 0.74 -4.79 117.46 111.87 1jba n PHE 68 Ca 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1jba n PHE 68 Cb 0.37 -0.40 0.00 0.00 -0.00 0.00 0.00 39.48 39.44 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 -3.86 0.00 0.00 -2.13 2.03 -1.22 -4.71 116.55 106.66 1jba n ASP 69 Ca -0.09 0.73 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1jba n ASP 69 Cb 0.32 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1jba n ASP 69 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1jba n THR 70 N -1.26 0.00 -1.04 5.18 -1.04 -1.23 -4.82 114.28 110.07 1jba n THR 70 Ca 0.00 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.54 1jba n THR 70 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1jba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1jba n ASN 71 N 1.45 0.57 0.00 8.00 0.23 -1.26 -4.60 115.26 119.65 1jba n ASN 71 Ca 0.00 0.51 0.00 0.00 -0.53 0.00 0.00 54.58 54.56 1jba n ASN 71 Cb 0.00 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 72 N 6.02 -0.01 0.29 4.83 0.00 -1.26 -3.20 105.19 111.86 1jba n GLY 72 Ca 0.46 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.52 1jba n GLY 72 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jba h ASP 73 N 0.00 0.00 0.00 1.61 3.32 -1.97 -3.42 116.42 115.97 1jba h ASP 73 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jba h ASP 73 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1jba h ASP 73 CO 0.00 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.32 1jba n ASN 74 N -2.41 0.00 -3.83 6.45 2.85 -1.19 -4.91 115.26 112.22 1jba n ASN 74 Ca -0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1jba n ASN 74 Cb 0.77 -0.36 -0.09 0.00 1.24 0.00 0.00 39.78 41.34 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1jba s THR 75 N -2.24 0.07 -0.04 -0.44 -1.32 -1.26 -4.84 115.64 105.58 1jba s THR 75 Ca 0.00 -0.60 -0.09 0.00 -1.21 0.00 0.00 61.69 59.79 1jba s THR 75 Cb 0.00 -0.50 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 1jba s THR 75 CO 0.00 -0.33 0.26 -0.51 -2.21 0.00 0.00 174.62 171.83 1jba s ILE 76 N -1.35 5.30 0.29 5.08 2.07 -0.91 -4.95 121.20 126.73 1jba s ILE 76 Ca -0.14 0.35 0.04 0.00 -1.41 0.00 0.00 60.65 59.49 1jba s ILE 76 Cb -0.07 -3.55 -0.03 0.00 0.13 0.00 0.00 42.46 38.95 1jba s ILE 76 CO 0.03 0.50 0.43 -1.81 -1.91 0.00 0.00 174.94 172.18 1jba s ASP 77 N -1.33 6.25 0.15 4.50 1.11 -1.26 -1.87 116.67 124.23 1jba s ASP 77 Ca 0.23 0.15 -0.29 0.00 0.18 0.00 0.00 52.55 52.81 1jba s ASP 77 Cb -0.14 -1.82 -0.03 0.00 1.07 0.00 0.00 42.92 42.00 1jba s ASP 77 CO 0.11 -0.20 1.56 0.15 1.18 0.00 0.00 175.17 177.98 1jba h PHE 78 N 1.00 -1.50 0.14 4.23 3.57 -1.95 0.11 116.94 122.55 1jba h PHE 78 Ca -0.50 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1jba h PHE 78 Cb 1.23 0.73 -0.04 0.00 2.79 0.00 0.00 35.95 40.66 1jba h PHE 78 CO 0.46 -0.45 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.59 1jba h LEU 79 N -0.28 -1.29 -0.81 0.59 -0.00 -1.95 0.25 115.31 111.81 1jba h LEU 79 Ca 0.13 0.13 0.12 0.00 -0.00 0.00 0.00 57.88 58.26 1jba h LEU 79 Cb 0.57 0.47 -0.13 0.00 -0.00 0.00 0.00 40.66 41.57 1jba h LEU 79 CO -0.67 -0.47 -0.43 -0.33 -0.00 0.00 0.00 178.44 176.54 1jba h GLU 80 N -0.65 -0.09 0.60 1.13 5.08 -1.75 2.25 114.58 121.15 1jba h GLU 80 Ca -0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jba h GLU 80 Cb 0.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1jba h GLU 80 CO -0.21 -0.06 -0.44 -0.92 -1.00 0.00 0.00 179.01 176.38 1jba h TYR 81 N -0.09 -1.19 -0.88 4.33 3.20 -0.28 -2.27 116.97 119.80 1jba h TYR 81 Ca 0.25 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.22 1jba h TYR 81 Cb 0.55 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 1jba h TYR 81 CO -0.82 -0.63 0.57 0.28 -1.64 0.00 0.00 178.16 175.92 1jba h VAL 82 N -1.00 0.95 -0.95 1.81 2.07 0.48 0.50 116.25 120.11 1jba h VAL 82 Ca -0.08 -0.29 0.22 0.00 0.82 0.00 0.00 66.70 67.37 1jba h VAL 82 Cb 0.82 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.51 1jba h VAL 82 CO 0.03 0.15 0.52 0.00 0.02 0.00 0.00 177.57 178.30 1jba h ALA 83 N 1.57 1.61 -0.11 1.67 0.00 0.43 0.21 119.26 124.63 1jba h ALA 83 Ca 0.41 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1jba h ALA 83 Cb 0.44 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jba h ALA 83 CO -0.17 -0.23 0.05 0.00 0.00 0.00 0.00 179.25 178.89 1jba h ALA 84 N 1.69 0.14 -0.04 0.00 0.00 -0.46 -2.72 119.26 117.87 1jba h ALA 84 Ca 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1jba h ALA 84 Cb 1.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jba h ALA 84 CO -0.46 -0.28 -0.07 -0.07 0.00 0.00 0.00 179.25 178.36 1jba h LEU 85 N 0.03 -0.23 -1.00 0.00 3.38 -0.40 0.73 115.31 117.82 1jba h LEU 85 Ca 0.04 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.43 1jba h LEU 85 Cb 0.15 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 40.82 1jba h LEU 85 CO -0.00 -0.06 0.49 -1.13 0.09 0.00 0.00 178.44 177.83 1jba h ASN 86 N -0.06 0.26 -0.97 -0.43 -0.00 -1.43 1.48 115.58 114.43 1jba h ASN 86 Ca 0.01 0.25 0.05 0.00 -0.00 0.00 0.00 56.30 56.61 1jba h ASN 86 Cb 0.08 0.28 -0.06 0.00 -0.00 0.00 0.00 38.32 38.61 1jba h ASN 86 CO -0.07 -0.39 0.63 0.25 -0.00 0.00 0.00 177.43 177.85 1jba h LEU 87 N 0.04 1.02 0.00 0.34 7.12 -0.54 -3.19 115.31 120.10 1jba h LEU 87 Ca 0.81 0.00 -0.41 0.00 0.13 0.00 0.00 57.88 58.41 1jba h LEU 87 Cb 2.06 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 41.91 1jba h LEU 87 CO -0.76 0.67 -2.26 0.52 -0.13 0.00 0.00 178.44 176.48 1jba n VAL 88 N -4.50 1.53 -0.06 1.05 0.31 0.41 -4.38 118.33 112.69 1jba n VAL 88 Ca 0.14 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1jba n VAL 88 Cb 0.14 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 -4.29 1.62 0.00 7.52 4.32 0.38 -4.53 117.00 122.01 1jba n LEU 89 Ca -0.50 -0.74 0.00 0.00 -0.02 0.00 0.00 56.01 54.76 1jba n LEU 89 Cb 0.84 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1jba n LEU 89 CO 0.07 0.30 0.00 -1.14 -1.22 0.00 0.00 177.39 175.40 1jba n ARG 90 N 1.63 0.00 0.00 3.23 0.63 -1.21 -4.82 116.66 116.13 1jba n ARG 90 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1jba n ARG 90 Cb 0.17 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.08 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jba n GLY 91 N 0.00 2.40 0.00 5.14 0.00 -1.26 -5.05 105.19 106.42 1jba n GLY 91 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1jba n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jba n THR 92 N -0.58 0.00 -1.65 2.61 -1.04 -1.26 -5.10 114.28 107.26 1jba n THR 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jba n THR 92 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jba n LEU 93 N 0.00 0.00 0.00 -4.42 4.77 -1.26 -4.82 117.00 111.27 1jba n LEU 93 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jba n LEU 93 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jba n LEU 93 CO 0.00 -0.45 0.49 -1.84 -1.33 0.00 0.00 177.39 174.26 1jba n GLU 94 N -0.91 0.00 -0.36 3.23 -0.00 -1.26 -1.90 120.64 119.44 1jba n GLU 94 Ca 0.00 0.24 0.30 0.00 -0.00 0.00 0.00 57.16 57.69 1jba n GLU 94 Cb 0.00 -1.75 0.56 0.00 -0.00 0.00 0.00 31.44 30.24 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 0.79 -0.33 -1.84 2.76 -2.00 1.34 115.15 115.87 1jba h HIS 95 Ca 0.00 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 1jba h HIS 95 Cb 0.51 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1jba h HIS 95 CO 0.00 -0.28 -0.20 -0.22 -1.30 0.00 0.00 177.93 175.93 1jba h LYS 96 N 0.16 0.73 -0.63 5.26 3.64 -1.72 -2.07 116.57 121.94 1jba h LYS 96 Ca 0.79 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1jba h LYS 96 Cb 2.08 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 1jba h LYS 96 CO -0.61 0.95 0.36 1.25 -2.27 0.00 0.00 179.45 179.13 1jba h LEU 97 N 0.50 0.76 0.71 5.20 6.46 0.14 -2.69 115.31 126.38 1jba h LEU 97 Ca 0.07 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1jba h LEU 97 Cb 0.75 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1jba h LEU 97 CO 0.06 0.60 -0.34 0.50 -0.62 0.00 0.00 178.44 178.64 1jba h LYS 98 N 0.87 -0.91 -0.94 1.25 1.63 -0.55 -2.79 116.57 115.13 1jba h LYS 98 Ca 0.22 0.06 0.25 0.00 -0.85 0.00 0.00 60.65 60.33 1jba h LYS 98 Cb 0.00 0.21 -0.17 0.00 -0.60 0.00 0.00 32.23 31.67 1jba h LYS 98 CO -0.04 -0.61 0.02 2.35 -3.45 0.00 0.00 179.45 177.72 1jba h TRP 99 N -1.24 -0.06 0.04 1.91 7.01 -1.28 0.42 115.95 122.76 1jba h TRP 99 Ca -0.10 0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.00 1jba h TRP 99 Cb 0.73 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 1jba h TRP 99 CO 0.00 -0.38 -0.23 1.15 -2.79 0.00 0.00 178.44 176.19 1jba h THR 100 N 0.04 0.47 0.00 2.65 2.02 -1.44 0.41 112.91 117.06 1jba h THR 100 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1jba h THR 100 Cb 1.10 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1jba h THR 100 CO -0.87 0.00 0.19 0.15 0.37 0.00 0.00 175.52 175.36 1jba h PHE 101 N -0.39 0.00 0.17 3.16 3.57 0.07 0.39 116.94 123.91 1jba h PHE 101 Ca 0.05 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.32 1jba h PHE 101 Cb 0.45 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.21 1jba h PHE 101 CO -0.25 0.00 -1.03 -0.22 -2.23 0.00 0.00 178.31 174.58 1jba h LYS 102 N 0.00 0.36 -0.37 1.11 3.64 0.91 -3.11 116.57 119.10 1jba h LYS 102 Ca 0.00 -0.61 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1jba h LYS 102 Cb 0.37 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1jba h LYS 102 CO 0.00 1.29 0.23 0.82 -2.27 0.00 0.00 179.45 179.52 1jba h ILE 103 N -0.24 1.11 0.00 2.00 1.08 -0.14 0.13 117.51 121.45 1jba h ILE 103 Ca -0.18 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1jba h ILE 103 Cb 1.79 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1jba h ILE 103 CO 0.18 0.11 0.00 -1.22 -0.69 0.00 0.00 178.15 176.53 1jba n TYR 104 N -4.46 0.05 -1.98 1.37 4.01 -1.06 -4.00 117.16 111.09 1jba n TYR 104 Ca 0.03 0.02 -0.40 0.00 -0.16 0.00 0.00 57.90 57.38 1jba n TYR 104 Cb 0.08 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.58 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 -1.54 7.83 -0.24 7.72 -0.08 0.46 -4.71 116.55 125.98 1jba n ASP 105 Ca 0.06 -3.10 0.03 0.00 -1.51 0.00 0.00 54.79 50.27 1jba n ASP 105 Cb 0.30 -1.39 0.12 0.00 2.34 0.00 0.00 41.12 42.49 1jba n ASP 105 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1jba h LYS 106 N 4.73 0.05 0.00 -0.67 3.64 -1.77 1.48 116.57 124.03 1jba h LYS 106 Ca 0.69 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.07 1jba h LYS 106 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1jba h LYS 106 CO 1.51 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 178.48 1jba n ASP 107 N -5.39 0.00 -3.36 4.20 8.00 -1.26 -4.93 116.55 113.81 1jba n ASP 107 Ca 0.11 0.34 -0.30 0.00 0.71 0.00 0.00 54.79 55.65 1jba n ASP 107 Cb 0.41 -0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1jba n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1jba n ARG 108 N -1.43 -1.89 0.00 -1.24 0.63 0.51 -4.91 116.66 108.33 1jba n ARG 108 Ca 0.06 1.51 0.00 0.00 -0.92 0.00 0.00 57.85 58.49 1jba n ARG 108 Cb 0.18 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.50 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1jba n ASN 109 N -0.05 0.00 0.00 6.15 6.94 -1.26 -5.03 115.26 122.01 1jba n ASN 109 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 1jba n ASN 109 Cb 0.62 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.07 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 110 N 0.69 -0.79 3.17 4.83 0.00 -1.26 -5.14 105.19 106.69 1jba n GLY 110 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.64 1.79 0.07 0.00 -1.09 0.38 -4.82 121.20 113.89 1jba s ILE 112 Ca 0.12 -1.74 -0.00 0.00 -2.23 0.00 0.00 60.65 56.80 1jba s ILE 112 Cb 0.05 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 1jba s ILE 112 CO -0.05 -0.18 -0.03 -1.81 -1.23 0.00 0.00 174.94 171.64 1jba s ASP 113 N -2.29 0.64 0.62 3.58 1.01 -1.26 -2.54 116.67 116.43 1jba s ASP 113 Ca 0.11 -1.03 0.27 0.00 0.71 0.00 0.00 52.55 52.62 1jba s ASP 113 Cb -0.08 0.18 1.41 0.00 1.01 0.00 0.00 42.92 45.44 1jba s ASP 113 CO 0.06 -0.58 1.81 0.08 0.21 0.00 0.00 175.17 176.74 1jba h ARG 114 N 3.07 0.00 0.09 8.23 0.11 -1.97 -0.38 114.38 123.53 1jba h ARG 114 Ca -0.34 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.57 1jba h ARG 114 Cb 1.15 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.24 1jba h ARG 114 CO 0.65 0.00 -0.76 -0.56 0.10 0.00 0.00 179.97 179.40 1jba h GLN 115 N 0.00 0.19 -1.06 0.08 3.07 -1.98 -2.54 115.11 112.89 1jba h GLN 115 Ca 0.14 -0.33 0.28 0.00 0.09 0.00 0.00 58.65 58.82 1jba h GLN 115 Cb 1.15 0.12 -0.09 0.00 0.08 0.00 0.00 27.48 28.74 1jba h GLN 115 CO -0.00 1.16 0.69 0.93 0.09 0.00 0.00 178.83 181.70 1jba h GLU 116 N -0.56 0.32 0.07 0.06 5.08 -1.39 -0.48 114.58 117.68 1jba h GLU 116 Ca -0.15 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1jba h GLU 116 Cb 1.48 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.67 1jba h GLU 116 CO 0.07 0.21 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.63 1jba h LEU 117 N 0.33 0.23 -1.13 1.33 3.38 -1.59 -2.73 115.31 115.13 1jba h LEU 117 Ca 0.59 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.72 1jba h LEU 117 Cb 1.61 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1jba h LEU 117 CO -0.26 1.27 0.77 0.25 0.09 0.00 0.00 178.44 180.56 1jba h LEU 118 N -0.67 0.00 0.12 1.67 5.85 -0.67 1.81 115.31 123.41 1jba h LEU 118 Ca -0.12 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.32 1jba h LEU 118 Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1jba h LEU 118 CO 0.05 0.00 -1.44 -0.78 -0.34 0.00 0.00 178.44 175.93 1jba h ASP 119 N 0.00 0.38 -0.02 1.25 1.82 -1.25 -2.50 116.42 116.11 1jba h ASP 119 Ca 0.14 -0.85 -0.18 0.00 -0.39 0.00 0.00 57.03 55.75 1jba h ASP 119 Cb 1.67 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 41.57 1jba h ASP 119 CO -0.00 1.63 -0.68 0.40 -1.61 0.00 0.00 179.24 178.97 1jba h ILE 120 N -0.29 1.39 -0.32 2.25 1.08 0.21 -2.61 117.51 119.22 1jba h ILE 120 Ca -0.31 -2.08 -0.01 0.00 -0.39 0.00 0.00 64.86 62.07 1jba h ILE 120 Cb 1.77 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 38.00 1jba h ILE 120 CO 0.06 0.62 0.15 0.58 -0.69 0.00 0.00 178.15 178.86 1jba h VAL 121 N 0.04 1.16 -0.95 1.67 2.07 0.19 -0.09 116.25 120.34 1jba h VAL 121 Ca -0.08 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.12 1jba h VAL 121 Cb 1.37 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1jba h VAL 121 CO 0.14 0.17 0.60 -0.08 0.02 0.00 0.00 177.57 178.42 1jba h GLU 122 N 0.37 0.75 -0.26 1.57 4.81 -1.48 0.11 114.58 120.45 1jba h GLU 122 Ca 0.11 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1jba h GLU 122 Cb 0.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1jba h GLU 122 CO -0.01 0.49 0.02 1.03 -0.73 0.00 0.00 179.01 179.81 1jba h SER 123 N 0.77 0.43 -0.72 1.04 0.87 -0.89 -0.14 113.55 114.91 1jba h SER 123 Ca 0.49 -0.29 0.16 0.00 -1.23 0.00 0.00 61.79 60.93 1jba h SER 123 Cb 0.74 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1jba h SER 123 CO -0.26 0.61 0.49 0.40 -0.53 0.00 0.00 176.83 177.54 1jba h ILE 124 N 0.23 0.76 -0.03 2.23 5.03 0.97 -0.18 117.51 126.52 1jba h ILE 124 Ca 0.08 -0.10 -0.14 0.00 -0.12 0.00 0.00 64.86 64.57 1jba h ILE 124 Cb 0.38 0.44 0.01 0.00 -3.03 0.00 0.00 36.82 34.61 1jba h ILE 124 CO 0.01 0.05 -0.54 1.88 -0.68 0.00 0.00 178.15 178.87 1jba h TYR 125 N 0.30 0.61 0.20 1.37 -1.99 -0.50 -2.62 116.97 114.35 1jba h TYR 125 Ca 0.35 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1jba h TYR 125 Cb 0.95 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.57 1jba h TYR 125 CO -0.00 1.11 -0.41 -0.22 -0.00 0.00 0.00 178.16 178.63 1jba h LYS 126 N -0.06 -0.65 -0.58 4.88 3.64 0.75 1.75 116.57 126.30 1jba h LYS 126 Ca -0.06 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1jba h LYS 126 Cb 1.23 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.12 1jba h LYS 126 CO 0.11 -0.43 0.13 1.25 -2.27 0.00 0.00 179.45 178.24 1jba h LEU 127 N -0.67 0.03 -1.57 5.20 7.12 -1.46 0.44 115.31 124.39 1jba h LEU 127 Ca -0.02 0.10 -0.05 0.00 0.13 0.00 0.00 57.88 58.05 1jba h LEU 127 Cb 0.64 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1jba h LEU 127 CO -0.17 0.03 -0.22 0.50 -0.13 0.00 0.00 178.44 178.45 1jba h LYS 128 N 0.27 0.00 0.05 1.25 3.64 -0.97 -0.92 116.57 119.90 1jba h LYS 128 Ca 0.30 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.43 1jba h LYS 128 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jba h LYS 128 CO -0.38 0.22 -1.06 -0.22 -2.27 0.00 0.00 179.45 175.74 1jba h LYS 129 N 0.00 0.37 -0.06 1.90 3.11 0.60 -3.25 116.57 119.24 1jba h LYS 129 Ca -0.00 -0.47 -0.17 0.00 -2.81 0.00 0.00 60.65 57.20 1jba h LYS 129 Cb 0.42 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 1jba h LYS 129 CO 0.03 1.16 -0.70 0.00 -2.81 0.00 0.00 179.45 177.13 1jba h ALA 130 N 0.66 0.69 -1.94 5.00 0.00 0.15 -3.44 119.26 120.39 1jba h ALA 130 Ca -0.11 -0.60 -0.37 0.00 0.00 0.00 0.00 54.91 53.84 1jba h ALA 130 Cb 1.73 -0.07 0.21 0.00 0.00 0.00 0.00 17.79 19.66 1jba h ALA 130 CO 0.18 0.78 -0.17 0.00 0.00 0.00 0.00 179.25 180.04 1jba n SER 132 N -5.55 5.14 -4.34 0.00 2.88 -1.26 -4.78 113.62 105.71 1jba n SER 132 Ca 0.12 -2.43 -0.40 0.00 -1.33 0.00 0.00 58.87 54.84 1jba n SER 132 Cb 0.59 -1.04 -0.11 0.00 -0.75 0.00 0.00 64.21 62.89 1jba n SER 132 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1jba s VAL 133 N -0.24 4.31 -1.20 2.46 1.01 -1.26 -4.99 120.40 120.50 1jba s VAL 133 Ca 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1jba s VAL 133 Cb 0.03 -3.44 0.21 0.00 0.00 0.00 0.00 36.38 33.18 1jba s VAL 133 CO 0.00 -0.24 2.05 -1.84 0.00 0.00 0.00 175.10 175.07 1jba n GLU 134 N 4.94 4.76 -2.85 2.72 -0.00 -1.26 -4.57 120.64 124.38 1jba n GLU 134 Ca -0.12 -3.98 -0.12 0.00 -0.00 0.00 0.00 57.16 52.94 1jba n GLU 134 Cb 0.45 -2.60 0.03 0.00 -0.00 0.00 0.00 31.44 29.33 1jba n GLU 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1jba n VAL 135 N 1.27 0.31 -1.48 3.84 0.31 -1.26 -4.95 118.33 116.36 1jba n VAL 135 Ca 0.51 -3.05 -0.35 0.00 -0.01 0.00 0.00 64.34 61.44 1jba n VAL 135 Cb 0.27 0.55 0.07 0.00 -0.91 0.00 0.00 33.84 33.82 1jba n VAL 135 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1jba n GLU 136 N 0.02 2.78 -0.78 5.55 0.28 -1.26 -4.82 120.64 122.41 1jba n GLU 136 Ca 0.12 -3.41 0.00 0.00 -0.16 0.00 0.00 57.16 53.71 1jba n GLU 136 Cb 0.76 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jba n ALA 137 N -0.84 0.00 -0.67 -1.84 0.00 -1.26 -4.89 120.51 111.01 1jba n ALA 137 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1jba n ALA 137 Cb 0.62 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1jba n ALA 137 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jba n GLU 138 N -1.39 0.00 0.00 0.00 0.00 -1.26 -4.10 120.64 113.90 1jba n GLU 138 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.16 57.82 1jba n GLU 138 Cb 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 31.44 30.40 1jba n GLU 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jba n GLN 139 N -1.65 0.06 -0.34 5.31 10.64 -1.26 -4.68 117.38 125.46 1jba n GLN 139 Ca 0.00 -0.50 -0.03 0.00 -1.83 0.00 0.00 57.00 54.65 1jba n GLN 139 Cb 0.00 -0.51 -0.04 0.00 -0.86 0.00 0.00 30.24 28.83 1jba n GLN 139 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1jba n GLN 140 N -0.01 0.67 -0.20 2.61 1.13 -1.26 -4.09 117.38 116.23 1jba n GLN 140 Ca 0.00 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 1jba n GLN 140 Cb 0.48 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jba n GLY 141 N 2.30 0.63 2.01 1.08 0.00 -1.26 -4.77 105.19 105.18 1jba n GLY 141 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 -3.95 0.00 1.61 4.81 -1.26 -5.06 118.16 112.31 1jba n LYS 142 Ca 0.00 2.98 0.00 0.00 -0.87 0.00 0.00 58.31 60.42 1jba n LYS 142 Cb 0.00 -3.69 0.00 0.00 0.02 0.00 0.00 35.03 31.36 1jba n LYS 142 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1jba n LEU 143 N 1.39 0.00 0.00 3.14 7.94 -1.26 -5.10 117.00 123.11 1jba n LEU 143 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1jba n LEU 143 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1jba n LEU 143 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1jba n LEU 144 N 0.00 0.00 -4.69 -1.96 -0.00 -1.26 -5.09 117.00 104.00 1jba n LEU 144 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1jba n LEU 144 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1jba n LEU 144 CO 0.00 -0.16 -0.32 0.42 -0.00 0.00 0.00 177.39 177.33 1jba s THR 145 N 0.77 3.94 0.66 1.47 -4.23 -1.26 -4.99 115.64 112.01 1jba s THR 145 Ca 0.00 -1.18 0.34 0.00 -1.18 0.00 0.00 61.69 59.68 1jba s THR 145 Cb 0.00 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.26 1jba s THR 145 CO 0.00 0.00 2.07 -0.65 -0.54 0.00 0.00 174.62 175.50 1jba h PRO 146 N 3.03 0.00 0.00 3.99 0.10 -2.00 0.25 132.00 137.37 1jba h PRO 146 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1jba h PRO 146 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1jba h PRO 146 CO 0.59 0.00 -1.01 -0.85 0.10 0.00 0.00 178.00 176.83 1jba n GLU 147 N -3.00 0.59 0.05 1.05 0.28 -1.26 -3.98 120.64 114.36 1jba n GLU 147 Ca -0.02 0.11 -0.02 0.00 -0.16 0.00 0.00 57.16 57.07 1jba n GLU 147 Cb 0.29 -1.81 -0.01 0.00 1.43 0.00 0.00 31.44 31.34 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1jba h GLU 148 N 0.00 -0.11 -0.80 3.44 4.57 -0.88 -2.43 114.58 118.36 1jba h GLU 148 Ca 0.00 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.38 1jba h GLU 148 Cb 0.98 0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 29.46 1jba h GLU 148 CO 0.00 -0.07 0.09 -0.24 -1.18 0.00 0.00 179.01 177.61 1jba h VAL 149 N -0.13 0.34 -0.98 0.32 3.04 -1.77 0.65 116.25 117.72 1jba h VAL 149 Ca -0.01 -0.05 0.24 0.00 -1.01 0.00 0.00 66.70 65.87 1jba h VAL 149 Cb 0.09 0.17 -0.12 0.00 -2.01 0.00 0.00 31.29 29.42 1jba h VAL 149 CO 0.02 0.03 0.56 0.58 -1.01 0.00 0.00 177.57 177.74 1jba h VAL 150 N 0.15 0.52 0.00 1.51 2.07 -1.67 1.38 116.25 120.21 1jba h VAL 150 Ca 0.46 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1jba h VAL 150 Cb 0.86 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jba h VAL 150 CO -0.66 0.10 -0.08 -0.78 0.02 0.00 0.00 177.57 176.17 1jba h ASP 151 N 0.55 0.00 0.00 0.57 3.58 0.80 -2.88 116.42 119.04 1jba h ASP 151 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 1jba h ASP 151 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1jba h ASP 151 CO -0.49 0.08 -0.04 -0.09 -2.88 0.00 0.00 179.24 175.83 1jba h ARG 152 N 0.00 0.00 -0.75 0.28 9.65 0.25 -2.84 114.38 120.97 1jba h ARG 152 Ca -0.00 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.04 1jba h ARG 152 Cb 0.75 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.20 1jba h ARG 152 CO 0.01 0.00 -0.11 0.82 2.80 0.00 0.00 179.97 183.49 1jba h ILE 153 N -0.93 0.29 -0.16 1.20 2.04 -0.89 1.26 117.51 120.32 1jba h ILE 153 Ca 0.00 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1jba h ILE 153 Cb 0.04 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1jba h ILE 153 CO 0.00 0.01 -0.09 0.15 0.00 0.00 0.00 178.15 178.22 1jba h PHE 154 N 0.04 -0.21 0.18 1.37 3.04 -1.64 -2.17 116.94 117.55 1jba h PHE 154 Ca 0.38 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.34 1jba h PHE 154 Cb 0.62 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1jba h PHE 154 CO -0.52 -0.14 -0.09 -0.07 -2.02 0.00 0.00 178.31 175.47 1jba h LEU 155 N -0.08 -0.21 -1.95 0.59 3.38 -0.47 -0.33 115.31 116.25 1jba h LEU 155 Ca 0.09 -0.27 0.51 0.00 0.09 0.00 0.00 57.88 58.30 1jba h LEU 155 Cb 0.21 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1jba h LEU 155 CO -0.21 0.18 1.24 0.25 0.09 0.00 0.00 178.44 179.99 1jba h LEU 156 N -0.63 0.02 0.00 1.67 6.46 0.16 -1.65 115.31 121.34 1jba h LEU 156 Ca -0.02 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1jba h LEU 156 Cb 0.46 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1jba h LEU 156 CO 0.04 -0.02 -0.56 0.52 -0.62 0.00 0.00 178.44 177.81 1jba n VAL 157 N -4.06 1.42 -0.22 1.05 0.31 -0.83 -4.96 118.33 111.05 1jba n VAL 157 Ca 0.39 0.21 -0.17 0.00 -0.01 0.00 0.00 64.34 64.76 1jba n VAL 157 Cb 1.78 -2.38 0.17 0.00 -0.91 0.00 0.00 33.84 32.50 1jba n VAL 157 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1jba n ASP 158 N -4.60 -3.12 0.00 4.52 2.03 -0.15 -4.78 116.55 110.44 1jba n ASP 158 Ca -0.08 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1jba n ASP 158 Cb 0.29 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N -3.36 0.00 0.10 -0.67 0.00 -1.26 -4.88 120.64 110.56 1jba n GLU 159 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.35 1jba n GLU 159 Cb 0.34 0.00 0.45 0.00 0.00 0.00 0.00 31.44 32.23 1jba n GLU 159 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1jba n ASN 160 N -1.70 0.57 -2.49 4.31 0.23 -1.26 -4.86 115.26 110.06 1jba n ASN 160 Ca 0.00 0.61 -0.14 0.00 -0.53 0.00 0.00 54.58 54.52 1jba n ASN 160 Cb 0.00 -0.74 -0.01 0.00 -2.08 0.00 0.00 39.78 36.95 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 161 N 0.46 -0.50 0.25 4.83 0.00 -1.26 -4.85 105.19 104.12 1jba n GLY 161 Ca 0.04 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.08 -0.47 0.00 1.61 3.04 -2.02 -3.47 116.42 115.04 1jba h ASP 162 Ca -0.33 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 1jba h ASP 162 Cb 1.24 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.65 1jba h ASP 162 CO 0.39 -0.20 0.00 0.61 -2.04 0.00 0.00 179.24 178.01 1jba n GLY 163 N -0.81 -0.27 3.11 7.15 0.00 -1.26 -5.13 105.19 107.97 1jba n GLY 163 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1jba n GLY 163 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jba s GLN 164 N 0.00 0.29 -0.55 1.61 -2.07 -1.26 -5.02 119.66 112.66 1jba s GLN 164 Ca 0.00 0.83 -0.18 0.00 -1.82 0.00 0.00 55.36 54.18 1jba s GLN 164 Cb 0.00 0.00 0.09 0.00 -1.09 0.00 0.00 33.01 32.01 1jba s GLN 164 CO 0.00 -0.38 0.63 -1.17 -1.32 0.00 0.00 175.29 173.05 1jba s LEU 165 N 2.55 5.33 0.00 2.60 2.96 -1.05 -4.94 118.68 126.14 1jba s LEU 165 Ca 0.03 -1.27 0.01 0.00 -0.22 0.00 0.00 54.13 52.68 1jba s LEU 165 Cb -0.13 -2.33 0.14 0.00 0.50 0.00 0.00 46.19 44.36 1jba s LEU 165 CO -0.13 -0.97 0.96 -0.24 -1.32 0.00 0.00 176.35 174.65 1jba n SER 166 N 6.07 1.41 0.02 3.68 2.88 -1.26 -0.47 113.62 125.95 1jba n SER 166 Ca -0.09 -2.16 -0.13 0.00 -1.33 0.00 0.00 58.87 55.16 1jba n SER 166 Cb 0.43 -0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.04 -0.97 2.46 5.85 -1.97 -2.45 115.31 118.19 1jba h LEU 167 Ca -0.32 -0.32 0.32 0.00 0.84 0.00 0.00 57.88 58.40 1jba h LEU 167 Cb 1.20 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.08 1jba h LEU 167 CO 0.35 0.31 0.35 -1.13 -0.34 0.00 0.00 178.44 177.97 1jba h ASN 168 N -0.38 0.07 0.91 1.25 -0.73 -1.96 1.26 115.58 116.00 1jba h ASN 168 Ca -0.00 0.24 -0.17 0.00 1.87 0.00 0.00 56.30 58.24 1jba h ASN 168 Cb 0.36 0.30 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 1jba h ASN 168 CO 0.01 -0.31 -0.79 -0.33 -0.37 0.00 0.00 177.43 175.64 1jba h GLU 169 N 0.10 0.00 -0.07 6.67 5.08 -1.93 -2.64 114.58 121.78 1jba h GLU 169 Ca 0.70 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.04 1jba h GLU 169 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1jba h GLU 169 CO -0.76 0.79 -0.03 0.35 -1.00 0.00 0.00 179.01 178.36 1jba h PHE 170 N 0.00 0.17 -0.25 4.33 3.57 0.20 -2.24 116.94 122.71 1jba h PHE 170 Ca -0.01 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.34 1jba h PHE 170 Cb 1.46 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1jba h PHE 170 CO 0.00 0.51 -0.32 -0.39 -2.23 0.00 0.00 178.31 175.88 1jba h VAL 171 N -0.22 1.28 0.00 1.41 -1.51 -1.03 0.70 116.25 116.88 1jba h VAL 171 Ca 0.02 -1.41 -0.05 0.00 -1.23 0.00 0.00 66.70 64.03 1jba h VAL 171 Cb 0.46 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1jba h VAL 171 CO 0.01 0.45 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.24 1jba h GLU 172 N 0.45 0.00 -0.01 5.19 4.39 -1.42 -0.06 114.58 123.11 1jba h GLU 172 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1jba h GLU 172 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1jba h GLU 172 CO 0.06 0.22 -0.19 0.41 -1.16 0.00 0.00 179.01 178.36 1jba n GLY 173 N -0.68 -0.15 0.01 -3.84 0.00 -0.85 -4.39 105.19 95.29 1jba n GLY 173 Ca -0.02 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 174 N -0.05 2.59 0.05 4.61 0.00 0.24 -3.71 120.51 124.25 1jba n ALA 174 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1jba n ALA 174 Cb 0.25 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 0.00 0.00 2.43 -1.19 -3.41 114.38 112.21 1jba h ARG 175 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1jba h ARG 175 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1jba h ARG 175 CO 0.00 0.50 -1.15 -2.13 -1.51 0.00 0.00 179.97 175.68 1jba n ARG 176 N -3.08 0.52 -0.83 0.20 0.63 -1.26 -4.98 116.66 107.85 1jba n ARG 176 Ca -0.07 0.32 -0.34 0.00 -0.92 0.00 0.00 57.85 56.84 1jba n ARG 176 Cb 0.88 -1.53 0.10 0.00 0.45 0.00 0.00 32.46 32.37 1jba n ARG 176 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jba n ASP 177 N -4.46 -3.15 0.00 6.15 9.92 -1.24 -4.94 116.55 118.82 1jba n ASP 177 Ca -0.20 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1jba n ASP 177 Cb 0.53 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1jba n LYS 178 N -0.32 3.07 0.09 -1.24 0.00 -1.26 -4.67 118.16 113.83 1jba n LYS 178 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.10 1jba n LYS 178 Cb 0.59 -0.62 -0.15 0.00 0.00 0.00 0.00 35.03 34.86 1jba n LYS 178 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1jba h TRP 179 N 0.00 0.77 -0.46 5.64 7.01 -1.96 -3.35 115.95 123.60 1jba h TRP 179 Ca 0.00 -0.56 -0.02 0.00 2.11 0.00 0.00 58.89 60.42 1jba h TRP 179 Cb 0.00 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1jba h TRP 179 CO 0.00 1.62 0.21 0.28 -2.79 0.00 0.00 178.44 177.75 1jba h VAL 180 N 0.12 1.19 -0.32 2.65 2.07 -1.90 -2.35 116.25 117.71 1jba h VAL 180 Ca -0.31 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1jba h VAL 180 Cb 2.11 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 1jba h VAL 180 CO 0.20 0.22 -0.48 0.24 0.02 0.00 0.00 177.57 177.77 1jba h MET 181 N 0.60 -0.36 0.00 1.57 2.86 -1.83 -0.04 114.93 117.73 1jba h MET 181 Ca 0.16 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1jba h MET 181 Cb 0.15 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1jba h MET 181 CO -0.02 -0.24 -0.14 0.87 1.06 0.00 0.00 176.91 178.44 1jba h LYS 182 N -0.37 0.00 0.21 1.72 1.57 -1.69 -2.03 116.57 115.99 1jba h LYS 182 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1jba h LYS 182 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1jba h LYS 182 CO -0.50 0.14 -0.10 0.52 -0.57 0.00 0.00 179.45 178.94 1jba h MET 183 N 0.00 -0.28 0.06 3.15 2.86 -0.45 -2.51 114.93 117.75 1jba h MET 183 Ca -0.00 0.02 -0.31 0.00 -2.06 0.00 0.00 59.70 57.34 1jba h MET 183 Cb 0.51 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 1jba h MET 183 CO 0.02 -0.03 -1.73 1.37 1.06 0.00 0.00 176.91 177.60 1jba h LEU 184 N -0.50 0.20 -1.47 1.22 8.10 -1.41 -3.34 115.31 118.10 1jba h LEU 184 Ca -0.03 -0.39 -0.06 0.00 0.11 0.00 0.00 57.88 57.51 1jba h LEU 184 Cb 0.38 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 1jba h LEU 184 CO 0.05 1.34 -0.27 0.06 -4.11 0.00 0.00 178.44 175.51 1jba h GLN 185 N 0.03 0.00 -2.28 0.17 3.07 -1.48 -3.49 115.11 111.13 1jba h GLN 185 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1jba h GLN 185 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.57 1jba h GLN 185 CO 0.10 0.27 -0.58 -0.12 0.09 0.00 0.00 178.83 178.59 1jba n MET 186 N -4.14 -2.64 0.00 0.06 0.00 -0.95 -5.03 117.12 104.43 1jba n MET 186 Ca -0.02 2.01 0.00 0.00 -0.00 0.00 0.00 57.70 59.69 1jba n MET 186 Cb 0.32 -2.41 0.00 0.00 0.00 0.00 0.00 33.22 31.14 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jba n ASP 187 N -1.67 0.00 0.00 6.12 9.92 -1.26 -5.02 116.55 124.63 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jba n ASP 187 Cb 0.17 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1jba n LEU 188 N -1.27 0.00 -0.04 0.64 7.94 -1.26 -5.01 117.00 118.01 1jba n LEU 188 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1jba n LEU 188 Cb 0.00 0.40 -0.06 0.00 0.53 0.00 0.00 43.42 44.29 1jba n LEU 188 CO 0.00 -0.40 -0.74 -3.20 -1.11 0.00 0.00 177.39 171.95 1jba n ASN 189 N -2.27 3.25 0.00 1.96 5.15 -1.26 -4.94 115.26 117.16 1jba n ASN 189 Ca 0.00 -0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 1jba n ASN 189 Cb 0.00 0.63 0.47 0.00 -0.53 0.00 0.00 39.78 40.35 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85