#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtb n ASN 2 N 0.00 4.35 -0.27 -1.43 6.94 -1.26 -4.99 115.26 118.59 1jtb n ASN 2 Ca 0.00 -3.52 -0.07 0.00 -0.02 0.00 0.00 54.58 50.97 1jtb n ASN 2 Cb 0.00 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jtb n GLY 4 N -1.18 -0.10 0.36 0.00 0.00 -1.26 0.74 105.19 103.75 1jtb n GLY 4 Ca 0.02 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1jtb n GLY 4 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jtb h GLN 5 N 0.00 0.67 -0.10 1.61 1.08 -1.99 -2.14 115.11 114.23 1jtb h GLN 5 Ca 0.03 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1jtb h GLN 5 Cb 0.04 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1jtb h GLN 5 CO -0.06 0.44 -0.09 0.28 -0.95 0.00 0.00 178.83 178.45 1jtb h VAL 6 N 0.69 0.00 -0.38 -0.54 2.07 0.07 -1.23 116.25 116.92 1jtb h VAL 6 Ca 0.35 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.95 1jtb h VAL 6 Cb 0.44 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1jtb h VAL 6 CO -0.13 0.00 -0.28 -0.78 0.02 0.00 0.00 177.57 176.40 1jtb h ASP 7 N -0.04 -0.93 -0.73 0.57 1.82 -1.62 0.39 116.42 115.87 1jtb h ASP 7 Ca 0.02 0.18 0.23 0.00 -0.39 0.00 0.00 57.03 57.06 1jtb h ASP 7 Cb 0.08 0.45 -0.13 0.00 0.68 0.00 0.00 39.33 40.41 1jtb h ASP 7 CO -0.11 -0.29 0.12 -0.24 -1.61 0.00 0.00 179.24 177.10 1jtb n SER 8 N -5.41 0.01 -0.11 2.28 2.88 -0.53 0.38 113.62 113.12 1jtb n SER 8 Ca 0.01 1.22 -0.19 0.00 -1.33 0.00 0.00 58.87 58.58 1jtb n SER 8 Cb 0.32 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 63.20 1jtb n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jtb n LYS 9 N -4.90 0.53 0.01 -1.46 4.76 -0.52 -4.68 118.16 111.90 1jtb n LYS 9 Ca 0.20 0.17 0.14 0.00 -2.87 0.00 0.00 58.31 55.94 1jtb n LYS 9 Cb 0.67 -1.40 0.59 0.00 -1.84 0.00 0.00 35.03 33.05 1jtb n LYS 9 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1jtb n MET 10 N -3.53 0.01 -0.04 1.97 2.81 0.12 -4.24 117.12 114.24 1jtb n MET 10 Ca -0.42 0.02 -0.06 0.00 -1.81 0.00 0.00 57.70 55.44 1jtb n MET 10 Cb 0.88 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.83 1jtb n MET 10 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jtb h LYS 11 N 0.00 -0.17 -1.59 0.03 1.63 -0.22 0.64 116.57 116.89 1jtb h LYS 11 Ca 0.00 0.01 0.47 0.00 -0.85 0.00 0.00 60.65 60.28 1jtb h LYS 11 Cb 0.50 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.09 1jtb h LYS 11 CO 0.00 -0.11 1.13 -2.30 -3.45 0.00 0.00 179.45 174.72 1jtb n PRO 12 N -3.72 -0.00 -0.10 1.90 -0.02 -1.26 -0.32 135.00 131.48 1jtb n PRO 12 Ca -0.02 0.93 -0.20 0.00 -2.02 0.00 0.00 63.50 62.19 1jtb n PRO 12 Cb 0.14 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 1jtb n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jtb h LEU 14 N -0.98 -1.42 -0.09 0.00 5.85 0.55 0.47 115.31 119.69 1jtb h LEU 14 Ca -0.28 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1jtb h LEU 14 Cb 1.26 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1jtb h LEU 14 CO -0.16 -0.50 -0.07 0.71 -0.34 0.00 0.00 178.44 178.07 1jtb h THR 15 N -0.65 0.00 -0.79 1.05 1.35 -0.81 0.62 112.91 113.68 1jtb h THR 15 Ca 0.03 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.05 1jtb h THR 15 Cb 0.70 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.97 1jtb h THR 15 CO -0.31 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 174.77 1jtb n TYR 16 N -3.18 0.30 0.05 4.73 4.19 -0.70 0.44 117.16 122.99 1jtb n TYR 16 Ca -0.00 0.97 -0.14 0.00 3.31 0.00 0.00 57.90 62.03 1jtb n TYR 16 Cb 0.04 -0.97 -0.04 0.00 0.49 0.00 0.00 39.34 38.86 1jtb n TYR 16 CO 0.00 0.00 0.00 -0.39 0.91 0.00 0.00 176.86 177.38 1jtb h VAL 17 N 0.00 1.36 0.00 2.97 -1.51 0.13 -2.96 116.25 116.24 1jtb h VAL 17 Ca 0.38 -2.29 -0.08 0.00 -1.23 0.00 0.00 66.70 63.48 1jtb h VAL 17 Cb 0.60 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1jtb h VAL 17 CO -0.81 0.69 -0.40 0.06 -1.23 0.00 0.00 177.57 175.88 1jtb h GLN 18 N 0.31 0.00 0.00 5.19 3.07 -0.22 0.27 115.11 123.73 1jtb h GLN 18 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1jtb h GLN 18 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.07 1jtb h GLN 18 CO 0.16 0.40 0.00 0.41 0.09 0.00 0.00 178.83 179.89 1jtb n GLY 19 N 0.19 0.75 2.27 0.06 0.00 0.38 -4.51 105.19 104.31 1jtb n GLY 19 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1jtb n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtb n GLY 20 N 0.00 3.75 3.07 -0.02 0.00 0.17 -4.91 105.19 107.25 1jtb n GLY 20 Ca 0.00 -2.26 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 1jtb n GLY 20 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jtb n PRO 21 N -0.76 -1.26 0.00 1.61 -0.02 -1.26 -3.22 135.00 130.09 1jtb n PRO 21 Ca -0.11 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1jtb n PRO 21 Cb 0.40 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1jtb n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtb n GLY 22 N 2.64 0.50 0.00 -1.23 0.00 -1.26 -2.51 105.19 103.32 1jtb n GLY 22 Ca 0.02 -2.31 0.10 0.00 0.00 0.00 0.00 46.02 43.83 1jtb n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jtb n PRO 23 N -0.71 0.81 -0.73 1.61 -0.04 -1.26 -5.01 135.00 129.67 1jtb n PRO 23 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jtb n PRO 23 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1jtb n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jtb n SER 24 N -0.90 0.00 0.00 3.54 7.64 -1.26 -0.84 113.62 121.80 1jtb n SER 24 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1jtb n SER 24 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1jtb n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jtb n GLY 25 N -0.22 1.95 0.31 0.23 0.00 -1.26 -4.62 105.19 101.57 1jtb n GLY 25 Ca 0.00 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1jtb n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jtb n GLU 26 N 0.00 -0.07 0.22 1.61 0.28 -1.13 -1.02 120.64 120.53 1jtb n GLU 26 Ca 0.00 1.34 -0.09 0.00 -0.16 0.00 0.00 57.16 58.25 1jtb n GLU 26 Cb 0.00 -2.15 -0.04 0.00 1.43 0.00 0.00 31.44 30.68 1jtb n GLU 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jtb h ASN 29 N 0.07 -0.49 -0.74 0.00 -1.07 -1.12 0.19 115.58 112.41 1jtb h ASN 29 Ca 0.42 -0.09 0.13 0.00 0.07 0.00 0.00 56.30 56.84 1jtb h ASN 29 Cb 0.74 0.13 -0.13 0.00 -2.07 0.00 0.00 38.32 36.98 1jtb h ASN 29 CO -0.73 -0.07 -0.23 0.61 0.07 0.00 0.00 177.43 177.08 1jtb n GLY 30 N -0.08 -1.35 0.27 9.14 0.00 0.52 0.04 105.19 113.73 1jtb n GLY 30 Ca -0.09 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 46.63 1jtb n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jtb h VAL 31 N 0.00 0.00 -0.38 1.61 2.07 -0.22 0.05 116.25 119.39 1jtb h VAL 31 Ca 0.31 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.91 1jtb h VAL 31 Cb 0.50 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1jtb h VAL 31 CO -0.75 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 176.54 1jtb h ARG 32 N -0.66 -0.14 -0.03 1.57 1.12 0.16 0.39 114.38 116.79 1jtb h ARG 32 Ca -0.06 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1jtb h ARG 32 Cb 0.51 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 1jtb h ARG 32 CO 0.09 -0.09 -0.05 -0.44 -3.11 0.00 0.00 179.97 176.37 1jtb h ASP 33 N -0.15 -0.16 -0.24 -3.80 3.32 -0.37 -1.29 116.42 113.74 1jtb h ASP 33 Ca 0.19 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1jtb h ASP 33 Cb 0.44 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1jtb h ASP 33 CO -0.47 -0.04 -0.14 0.18 -1.72 0.00 0.00 179.24 177.05 1jtb n LEU 34 N -2.90 -0.25 -0.28 1.55 7.99 0.00 0.18 117.00 123.29 1jtb n LEU 34 Ca -0.00 1.08 0.24 0.00 -0.01 0.00 0.00 56.01 57.32 1jtb n LEU 34 Cb 0.03 -0.38 0.45 0.00 -0.11 0.00 0.00 43.42 43.41 1jtb n LEU 34 CO 0.00 -0.67 0.86 1.57 -1.51 0.00 0.00 177.39 177.64 1jtb n HIS 35 N -3.49 0.91 0.03 -1.77 -0.00 0.13 0.13 115.22 111.16 1jtb n HIS 35 Ca 0.00 1.02 0.11 0.00 0.46 0.00 0.00 57.72 59.32 1jtb n HIS 35 Cb 0.06 -1.37 -0.11 0.00 -0.12 0.00 0.00 29.99 28.46 1jtb n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1jtb n ASN 36 N -5.00 0.32 0.03 0.26 5.03 0.30 -4.27 115.26 111.93 1jtb n ASN 36 Ca 0.30 0.12 -0.19 0.00 0.87 0.00 0.00 54.58 55.68 1jtb n ASN 36 Cb 1.02 1.41 -0.11 0.00 -1.02 0.00 0.00 39.78 41.07 1jtb n ASN 36 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1jtb h GLN 37 N 0.00 0.55 -2.66 3.52 4.20 0.39 -3.30 115.11 117.81 1jtb h GLN 37 Ca 0.00 -0.62 -0.59 0.00 0.06 0.00 0.00 58.65 57.50 1jtb h GLN 37 Cb 1.00 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 1jtb h GLN 37 CO 0.00 1.24 2.52 0.00 -0.67 0.00 0.00 178.83 181.92 1jtb n ALA 38 N -2.63 7.11 -2.34 3.87 0.00 0.79 -4.51 120.51 122.81 1jtb n ALA 38 Ca -0.11 -3.33 -0.21 0.00 0.00 0.00 0.00 53.44 49.79 1jtb n ALA 38 Cb 0.81 -2.96 0.02 0.00 0.00 0.00 0.00 19.45 17.32 1jtb n ALA 38 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jtb n GLN 39 N 2.75 3.08 -2.56 0.00 -0.06 -1.24 -4.29 117.38 115.05 1jtb n GLN 39 Ca 0.67 -4.11 -0.06 0.00 -2.00 0.00 0.00 57.00 51.49 1jtb n GLN 39 Cb 0.38 -2.08 -0.02 0.00 -4.06 0.00 0.00 30.24 24.46 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1jtb n SER 40 N -0.55 1.04 0.00 1.69 2.88 -1.26 -5.06 113.62 112.35 1jtb n SER 40 Ca 0.34 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1jtb n SER 40 Cb 0.83 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 1jtb n SER 40 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jtb n SER 41 N -1.92 0.00 -2.66 -3.46 7.64 -1.26 -3.64 113.62 108.33 1jtb n SER 41 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 1jtb n SER 41 Cb 0.14 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.43 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jtb n GLY 42 N -0.74 -1.46 0.05 0.23 0.00 -1.26 -5.06 105.19 96.95 1jtb n GLY 42 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 1jtb n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jtb h ASP 43 N 1.90 -0.05 -0.70 1.61 5.19 -1.85 -2.74 116.42 119.78 1jtb h ASP 43 Ca -0.39 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.17 1jtb h ASP 43 Cb 1.23 0.01 -0.11 0.00 0.18 0.00 0.00 39.33 40.64 1jtb h ASP 43 CO -0.06 0.25 0.11 0.03 -3.12 0.00 0.00 179.24 176.46 1jtb h ARG 44 N -0.64 0.21 0.00 3.56 -0.00 -1.89 0.87 114.38 116.48 1jtb h ARG 44 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1jtb h ARG 44 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1jtb h ARG 44 CO 0.01 0.14 0.00 1.04 0.00 0.00 0.00 179.97 181.16 1jtb n GLN 45 N -5.20 0.18 0.00 0.04 6.02 -1.26 -0.04 117.38 117.12 1jtb n GLN 45 Ca 0.12 0.48 -0.18 0.00 -0.01 0.00 0.00 57.00 57.42 1jtb n GLN 45 Cb 0.43 -1.89 -0.14 0.00 1.02 0.00 0.00 30.24 29.65 1jtb n GLN 45 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1jtb h THR 46 N 0.00 1.63 -0.34 5.09 2.02 0.91 -2.95 112.91 119.28 1jtb h THR 46 Ca 0.00 -2.45 0.07 0.00 0.77 0.00 0.00 66.41 64.80 1jtb h THR 46 Cb 0.27 3.27 -0.07 0.00 -1.74 0.00 0.00 68.15 69.89 1jtb h THR 46 CO 0.00 0.67 -0.10 0.58 0.37 0.00 0.00 175.52 177.04 1jtb h VAL 47 N -0.62 0.63 -0.99 3.16 2.07 0.13 -0.13 116.25 120.51 1jtb h VAL 47 Ca -0.08 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.62 1jtb h VAL 47 Cb 1.38 0.63 -0.18 0.00 -1.52 0.00 0.00 31.29 31.60 1jtb h VAL 47 CO 0.09 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.39 1jtb h ASN 49 N -0.00 1.13 0.20 0.00 2.35 -0.88 0.27 115.58 118.65 1jtb h ASN 49 Ca 0.43 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1jtb h ASN 49 Cb 0.68 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1jtb h ASN 49 CO -1.01 0.87 -0.09 0.00 -1.65 0.00 0.00 177.43 175.55 1jtb h LEU 51 N -0.45 -1.91 -0.56 0.00 3.38 0.67 0.40 115.31 116.84 1jtb h LEU 51 Ca -0.03 0.28 0.10 0.00 0.09 0.00 0.00 57.88 58.33 1jtb h LEU 51 Cb 0.34 0.83 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 1jtb h LEU 51 CO 0.04 -0.32 -0.30 0.11 0.09 0.00 0.00 178.44 178.06 1jtb h LYS 52 N -0.21 -0.15 0.12 1.13 1.79 -0.29 0.32 116.57 119.28 1jtb h LYS 52 Ca 0.13 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1jtb h LYS 52 Cb 0.52 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1jtb h LYS 52 CO -0.76 -0.10 -0.06 0.78 -1.08 0.00 0.00 179.45 178.24 1jtb h GLY 53 N -0.15 -0.17 1.00 3.86 0.00 0.18 -0.37 103.07 107.41 1jtb h GLY 53 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1jtb h GLY 53 CO -0.65 -0.06 0.10 1.19 0.00 0.00 0.00 176.54 177.12 1jtb h ILE 54 N -0.31 1.04 -0.89 2.60 2.10 0.39 -2.15 117.51 120.29 1jtb h ILE 54 Ca -0.02 -0.07 0.17 0.00 1.08 0.00 0.00 64.86 66.02 1jtb h ILE 54 Cb 0.25 0.81 -0.16 0.00 -1.09 0.00 0.00 36.82 36.63 1jtb h ILE 54 CO 0.03 0.04 -0.26 0.00 -1.08 0.00 0.00 178.15 176.87 1jtb h ALA 55 N 1.06 0.47 0.00 0.18 0.00 -0.23 0.23 119.26 120.96 1jtb h ALA 55 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1jtb h ALA 55 Cb -0.02 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1jtb h ALA 55 CO -0.01 -0.45 0.00 -2.13 0.00 0.00 0.00 179.25 176.65 1jtb n ARG 56 N -5.55 0.00 0.00 0.00 0.63 -0.16 -3.03 116.66 108.55 1jtb n ARG 56 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1jtb n ARG 56 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 1jtb n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jtb n GLY 57 N -0.94 0.00 0.00 5.14 0.00 -0.47 -5.04 105.19 103.88 1jtb n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jtb n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jtb n ILE 58 N -0.32 0.00 0.00 -0.61 5.41 0.68 -4.47 119.36 120.05 1jtb n ILE 58 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1jtb n ILE 58 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 1jtb n ILE 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1jtb n HIS 59 N 0.00 0.00 0.00 1.39 8.25 -1.26 -5.09 115.22 118.51 1jtb n HIS 59 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jtb n HIS 59 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1jtb n HIS 59 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jtb n ASN 60 N 0.00 0.00 -4.27 0.41 5.15 -1.26 -5.19 115.26 110.10 1jtb n ASN 60 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1jtb n ASN 60 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1jtb s LEU 61 N 0.00 2.32 -0.55 1.20 2.96 -1.26 -4.64 118.68 118.70 1jtb s LEU 61 Ca 0.00 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.26 1jtb s LEU 61 Cb 0.00 -0.80 0.35 0.00 0.50 0.00 0.00 46.19 46.24 1jtb s LEU 61 CO 0.00 0.02 0.97 -3.20 -1.32 0.00 0.00 176.35 172.82 1jtb n ASN 62 N 1.00 4.47 -0.02 3.68 5.15 0.95 -4.94 115.26 125.56 1jtb n ASN 62 Ca -0.19 -3.68 -0.00 0.00 -0.60 0.00 0.00 54.58 50.11 1jtb n ASN 62 Cb 0.54 -0.55 -0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1jtb n ASN 62 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1jtb n LEU 63 N -0.28 -0.04 -0.47 1.20 4.77 -1.26 -0.01 117.00 120.91 1jtb n LEU 63 Ca 0.32 0.08 0.37 0.00 -0.03 0.00 0.00 56.01 56.75 1jtb n LEU 63 Cb 0.44 -0.01 0.58 0.00 -2.33 0.00 0.00 43.42 42.10 1jtb n LEU 63 CO 0.34 -0.06 1.06 0.59 -1.33 0.00 0.00 177.39 177.98 1jtb n ASN 64 N -4.06 0.07 -0.00 -1.43 4.13 -1.26 0.44 115.26 113.14 1jtb n ASN 64 Ca 0.00 0.88 -0.21 0.00 1.68 0.00 0.00 54.58 56.94 1jtb n ASN 64 Cb 0.01 -0.44 -0.14 0.00 -1.54 0.00 0.00 39.78 37.68 1jtb n ASN 64 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1jtb h ASN 65 N 0.00 0.32 -0.34 6.41 -1.24 -0.78 -3.35 115.58 116.61 1jtb h ASN 65 Ca 0.70 -0.84 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 1jtb h ASN 65 Cb 2.60 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 41.53 1jtb h ASN 65 CO -0.15 1.52 0.20 0.00 -1.29 0.00 0.00 177.43 177.71 1jtb h ALA 66 N -0.07 0.43 -0.69 1.57 0.00 -0.12 -3.08 119.26 117.30 1jtb h ALA 66 Ca -0.26 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 54.88 1jtb h ALA 66 Cb 1.63 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 1jtb h ALA 66 CO 0.04 -0.07 0.37 0.00 0.00 0.00 0.00 179.25 179.59 1jtb n ALA 67 N -2.22 0.71 0.90 0.00 0.00 0.91 0.38 120.51 121.19 1jtb n ALA 67 Ca -0.01 0.69 0.09 0.00 0.00 0.00 0.00 53.44 54.22 1jtb n ALA 67 Cb 0.06 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 1jtb n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jtb n SER 68 N -4.53 1.04 -0.11 0.00 2.88 -1.16 -4.59 113.62 107.15 1jtb n SER 68 Ca 0.26 -1.02 -0.07 0.00 -1.33 0.00 0.00 58.87 56.71 1jtb n SER 68 Cb 0.88 0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 65.27 1jtb n SER 68 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jtb h ILE 69 N 0.31 0.33 -0.51 2.46 1.08 -0.10 -2.22 117.51 118.87 1jtb h ILE 69 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1jtb h ILE 69 Cb 0.48 0.33 -0.10 0.00 -3.07 0.00 0.00 36.82 34.46 1jtb h ILE 69 CO 0.00 0.00 -0.20 -0.65 -0.69 0.00 0.00 178.15 176.61 1jtb h PRO 70 N -0.20 -0.08 0.09 2.37 0.11 -1.81 0.45 132.00 132.94 1jtb h PRO 70 Ca 0.18 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 1jtb h PRO 70 Cb 0.49 0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.63 1jtb h PRO 70 CO -0.49 -0.05 -0.57 1.03 -0.21 0.00 0.00 178.00 177.70 1jtb h SER 71 N -0.08 0.34 -0.84 -2.05 0.87 -1.85 -1.12 113.55 108.82 1jtb h SER 71 Ca 0.24 -0.95 0.21 0.00 -1.23 0.00 0.00 61.79 60.05 1jtb h SER 71 Cb 0.45 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 1jtb h SER 71 CO -0.56 1.27 0.58 0.50 -0.53 0.00 0.00 176.83 178.08 1jtb h LYS 72 N -0.53 0.24 -0.60 2.24 3.64 -0.64 0.29 116.57 121.21 1jtb h LYS 72 Ca -0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1jtb h LYS 72 Cb 1.44 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1jtb h LYS 72 CO 0.11 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.45 1jtb n ASN 74 N 1.00 -3.10 -3.30 0.00 5.15 0.09 -4.78 115.26 110.32 1jtb n ASN 74 Ca 0.24 -0.99 -0.26 0.00 -0.60 0.00 0.00 54.58 52.97 1jtb n ASN 74 Cb 0.81 -1.19 -0.07 0.00 -0.53 0.00 0.00 39.78 38.80 1jtb n ASN 74 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1jtb n VAL 75 N -4.05 1.76 -0.69 3.44 3.14 -0.48 -4.92 118.33 116.52 1jtb n VAL 75 Ca -0.09 -5.01 0.00 0.00 -2.96 0.00 0.00 64.34 56.28 1jtb n VAL 75 Cb 0.42 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 1jtb n VAL 75 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1jtb n ASN 76 N 0.78 -0.67 -4.72 6.55 0.23 -1.26 -4.75 115.26 111.42 1jtb n ASN 76 Ca 0.28 -0.36 -0.26 0.00 -0.53 0.00 0.00 54.58 53.72 1jtb n ASN 76 Cb 0.44 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.06 1jtb n ASN 76 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1jtb s VAL 77 N 2.06 2.14 -1.64 3.53 -7.23 -1.26 -5.02 120.40 112.97 1jtb s VAL 77 Ca 0.00 -1.77 0.22 0.00 -1.81 0.00 0.00 61.98 58.62 1jtb s VAL 77 Cb 0.00 -2.91 -0.10 0.00 0.56 0.00 0.00 36.38 33.94 1jtb s VAL 77 CO 0.00 0.00 1.01 -0.81 -0.31 0.00 0.00 175.10 174.99 1jtb n PRO 78 N -1.21 0.76 0.00 4.82 -0.04 -1.26 -5.00 135.00 133.07 1jtb n PRO 78 Ca -0.03 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1jtb n PRO 78 Cb 0.65 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1jtb n PRO 78 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1jtb n TYR 79 N -0.59 0.00 0.00 0.54 9.36 -1.12 -4.61 117.16 120.75 1jtb n TYR 79 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1jtb n TYR 79 Cb 0.42 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 1jtb n TYR 79 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1jtb n THR 80 N 0.00 0.00 -3.03 2.97 -1.04 -0.27 -4.79 114.28 108.13 1jtb n THR 80 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jtb n THR 80 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jtb n THR 80 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1jtb n ILE 81 N 0.00 0.00 -4.51 12.58 2.08 -1.26 -4.94 119.36 123.31 1jtb n ILE 81 Ca 0.00 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.07 1jtb n ILE 81 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.78 1jtb n ILE 81 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1jtb s SER 82 N -3.46 3.10 0.00 4.38 0.01 -1.26 -4.90 113.70 111.57 1jtb s SER 82 Ca 0.00 -1.31 -0.00 0.00 1.31 0.00 0.00 55.95 55.95 1jtb s SER 82 Cb 0.00 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 1jtb s SER 82 CO 0.00 -0.45 0.59 -2.65 0.41 0.00 0.00 173.24 171.15 1jtb n PRO 83 N -0.76 -0.00 -2.70 12.44 -0.02 -1.26 -1.16 135.00 141.54 1jtb n PRO 83 Ca -0.04 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 1jtb n PRO 83 Cb 0.66 -0.89 -0.01 0.00 -0.02 0.00 0.00 33.50 33.23 1jtb n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jtb n ASP 84 N -2.62 5.47 0.00 2.55 2.03 -1.26 -5.02 116.55 117.70 1jtb n ASP 84 Ca 0.00 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.60 1jtb n ASP 84 Cb 0.00 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jtb n ILE 85 N -0.27 0.00 -3.87 5.18 3.06 -0.31 -4.84 119.36 118.31 1jtb n ILE 85 Ca 0.38 0.00 -0.24 0.00 -2.50 0.00 0.00 62.75 60.39 1jtb n ILE 85 Cb 0.39 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.55 1jtb n ILE 85 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1jtb s ASP 86 N 0.00 6.34 -1.36 9.51 1.11 -1.26 -4.54 116.67 126.47 1jtb s ASP 86 Ca 0.00 0.19 -0.14 0.00 0.18 0.00 0.00 52.55 52.79 1jtb s ASP 86 Cb 0.00 -1.92 -0.03 0.00 1.07 0.00 0.00 42.92 42.04 1jtb s ASP 86 CO 0.00 -0.03 2.36 0.00 1.18 0.00 0.00 175.17 178.68 1jtb n SER 88 N 5.52 1.64 -3.37 0.00 2.88 -1.26 -4.92 113.62 114.11 1jtb n SER 88 Ca 0.58 0.05 -0.26 0.00 -1.33 0.00 0.00 58.87 57.91 1jtb n SER 88 Cb 0.33 -0.21 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 1jtb n SER 88 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1jtb n ARG 89 N -3.14 1.08 -4.39 -1.46 1.85 -1.26 -5.05 116.66 104.29 1jtb n ARG 89 Ca -0.16 -3.65 -0.20 0.00 -1.00 0.00 0.00 57.85 52.83 1jtb n ARG 89 Cb 0.63 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 30.28 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1jtb s ILE 90 N -1.18 1.93 0.00 8.89 1.01 -1.26 -1.11 121.20 129.48 1jtb s ILE 90 Ca 0.34 -2.25 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1jtb s ILE 90 Cb 0.11 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1jtb s ILE 90 CO -0.12 -0.50 0.38 -1.22 0.00 0.00 0.00 174.94 173.47