#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtb s ASN 2 N 0.00 4.38 0.28 -1.43 2.20 -1.26 -2.21 114.94 116.88 1jtb s ASN 2 Ca 0.00 -0.47 0.01 0.00 -0.94 0.00 0.00 52.86 51.46 1jtb s ASN 2 Cb 0.00 -0.81 0.56 0.00 -2.00 0.00 0.00 41.25 39.00 1jtb s ASN 2 CO 0.00 0.14 1.80 0.00 -2.94 0.00 0.00 177.10 176.10 1jtb h GLY 4 N 0.84 -0.67 1.45 0.00 0.00 -1.99 -0.97 103.07 101.72 1jtb h GLY 4 Ca 0.49 0.55 -0.18 0.00 0.00 0.00 0.00 47.33 48.19 1jtb h GLY 4 CO -0.31 -0.20 -0.67 1.46 0.00 0.00 0.00 176.54 176.83 1jtb h GLN 5 N -0.42 0.56 -0.94 4.80 4.20 -1.88 0.74 115.11 122.17 1jtb h GLN 5 Ca 0.10 -0.41 0.18 0.00 0.06 0.00 0.00 58.65 58.58 1jtb h GLN 5 Cb 0.61 0.07 -0.17 0.00 0.30 0.00 0.00 27.48 28.29 1jtb h GLN 5 CO -0.49 1.03 -0.27 0.28 -0.67 0.00 0.00 178.83 178.72 1jtb h VAL 6 N 0.40 0.05 0.00 -0.54 2.07 -0.02 0.48 116.25 118.68 1jtb h VAL 6 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1jtb h VAL 6 Cb 1.25 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1jtb h VAL 6 CO 0.13 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.05 1jtb n ASP 7 N -5.57 0.00 -0.62 0.57 -0.08 -0.45 -0.87 116.55 109.54 1jtb n ASP 7 Ca 0.13 0.42 0.47 0.00 -1.51 0.00 0.00 54.79 54.30 1jtb n ASP 7 Cb 0.46 -0.49 0.72 0.00 2.34 0.00 0.00 41.12 44.15 1jtb n ASP 7 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1jtb n SER 8 N -2.03 0.02 -0.03 1.67 2.88 0.24 0.11 113.62 116.48 1jtb n SER 8 Ca 0.00 0.93 -0.04 0.00 -1.33 0.00 0.00 58.87 58.42 1jtb n SER 8 Cb 0.00 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.80 0.12 -0.63 -1.46 4.76 0.16 -4.79 118.16 112.53 1jtb n LYS 9 Ca 0.40 0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.95 1jtb n LYS 9 Cb 1.77 -0.97 0.32 0.00 -1.84 0.00 0.00 35.03 34.31 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 -2.85 3.75 0.08 1.97 2.81 -0.05 -4.55 117.12 118.29 1jtb n MET 10 Ca -0.10 -2.97 -0.12 0.00 -1.81 0.00 0.00 57.70 52.71 1jtb n MET 10 Cb 0.59 -2.01 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 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 2.75 -0.32 -1.08 0.03 3.64 0.44 0.52 116.57 122.55 1jtb h LYS 11 Ca 0.00 0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.72 1jtb h LYS 11 Cb 1.65 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.50 1jtb h LYS 11 CO 0.33 -0.21 1.22 -1.00 -2.27 0.00 0.00 179.45 177.52 1jtb h PRO 12 N -0.33 0.00 0.00 1.90 0.13 -1.82 0.43 132.00 132.31 1jtb h PRO 12 Ca 0.05 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.85 1jtb h PRO 12 Cb 0.39 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.47 1jtb h PRO 12 CO -0.15 0.00 -1.75 0.00 -0.23 0.00 0.00 178.00 175.86 1jtb h LEU 14 N -0.95 -0.20 -0.56 0.00 5.85 -0.14 -1.31 115.31 118.01 1jtb h LEU 14 Ca -0.48 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1jtb h LEU 14 Cb 1.45 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.46 1jtb h LEU 14 CO -0.27 -0.12 -0.47 0.71 -0.34 0.00 0.00 178.44 177.94 1jtb h THR 15 N -0.18 0.00 -0.55 1.05 1.35 -0.32 0.40 112.91 114.66 1jtb h THR 15 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1jtb h THR 15 Cb 0.17 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.52 1jtb h THR 15 CO -0.01 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 174.93 1jtb n TYR 16 N -4.87 -0.24 -0.32 4.73 9.36 -0.67 0.14 117.16 125.28 1jtb n TYR 16 Ca -0.01 0.68 0.05 0.00 3.32 0.00 0.00 57.90 61.95 1jtb n TYR 16 Cb 0.25 -0.51 0.25 0.00 -0.63 0.00 0.00 39.34 38.69 1jtb n TYR 16 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1jtb h VAL 17 N 0.00 1.02 -0.53 2.97 -1.51 0.07 0.77 116.25 119.05 1jtb h VAL 17 Ca 0.09 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1jtb h VAL 17 Cb 0.22 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.31 1jtb h VAL 17 CO -0.52 0.18 0.00 0.00 -1.23 0.00 0.00 177.57 176.01 1jtb n GLN 18 N -4.52 2.33 0.00 5.19 10.64 0.42 0.67 117.38 132.10 1jtb n GLN 18 Ca 0.15 -1.94 0.00 0.00 -1.83 0.00 0.00 57.00 53.38 1jtb n GLN 18 Cb 0.25 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 1jtb n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jtb n GLY 19 N 1.29 0.75 3.47 2.61 0.00 0.36 -3.54 105.19 110.14 1jtb n GLY 19 Ca 0.18 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1jtb n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jtb s GLY 20 N -0.50 2.23 -0.52 -0.02 0.00 0.96 -4.52 107.32 104.95 1jtb s GLY 20 Ca 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 44.72 42.88 1jtb s GLY 20 CO 0.00 -1.83 2.56 -1.55 0.00 0.00 0.00 173.10 172.28 1jtb n PRO 21 N -0.76 2.43 0.00 2.90 -0.04 -1.26 -4.39 135.00 133.88 1jtb n PRO 21 Ca -0.04 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1jtb n PRO 21 Cb 0.66 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1jtb n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jtb n GLY 22 N 0.52 2.39 0.00 0.55 0.00 -1.26 -3.98 105.19 103.42 1jtb n GLY 22 Ca 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.70 -4.21 1.61 -0.04 -1.26 -5.11 135.00 127.68 1jtb n PRO 23 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1jtb n PRO 23 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1jtb n PRO 23 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jtb s SER 24 N -1.00 5.60 0.09 3.54 0.01 -1.26 -5.02 113.70 115.66 1jtb s SER 24 Ca 0.00 0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.49 1jtb s SER 24 Cb 0.00 -1.65 0.17 0.00 0.21 0.00 0.00 66.02 64.75 1jtb s SER 24 CO 0.00 0.38 0.46 0.61 0.41 0.00 0.00 173.24 175.10 1jtb n GLY 25 N 2.02 -0.45 0.36 3.44 0.00 -1.26 -0.38 105.19 108.91 1jtb n GLY 25 Ca -0.19 0.30 0.32 0.00 0.00 0.00 0.00 46.02 46.46 1jtb n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1jtb h GLU 26 N 0.00 0.05 0.10 1.61 4.11 -1.97 -0.95 114.58 117.53 1jtb h GLU 26 Ca 0.16 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 1jtb h GLU 26 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jtb h GLU 26 CO -0.29 0.03 -0.05 0.00 0.07 0.00 0.00 179.01 178.78 1jtb h ASN 29 N 0.02 0.49 -0.13 0.00 -1.07 -1.38 -0.14 115.58 113.37 1jtb h ASN 29 Ca 0.55 -0.54 0.04 0.00 0.07 0.00 0.00 56.30 56.43 1jtb h ASN 29 Cb 1.06 -0.14 -0.07 0.00 -2.07 0.00 0.00 38.32 37.10 1jtb h ASN 29 CO -0.92 0.94 -0.40 1.23 0.07 0.00 0.00 177.43 178.35 1jtb h GLY 30 N 0.07 -0.64 -0.42 9.14 0.00 0.12 0.57 103.07 111.91 1jtb h GLY 30 Ca 0.01 0.49 0.04 0.00 0.00 0.00 0.00 47.33 47.87 1jtb h GLY 30 CO 0.06 -0.22 -0.41 -2.08 0.00 0.00 0.00 176.54 173.88 1jtb h VAL 31 N -0.47 0.00 -0.14 4.60 2.07 -0.13 0.40 116.25 122.58 1jtb h VAL 31 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1jtb h VAL 31 Cb 0.61 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1jtb h VAL 31 CO -0.39 0.00 -0.40 -0.09 0.02 0.00 0.00 177.57 176.71 1jtb h ARG 32 N -0.21 -0.45 0.81 1.57 1.12 -0.37 0.33 114.38 117.18 1jtb h ARG 32 Ca 0.07 0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.93 1jtb h ARG 32 Cb 0.39 0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1jtb h ARG 32 CO -0.51 -0.30 -0.47 -0.44 -3.11 0.00 0.00 179.97 175.15 1jtb h ASP 33 N -0.47 -1.17 -0.88 -3.80 5.19 -0.35 0.02 116.42 114.96 1jtb h ASP 33 Ca 0.08 0.06 0.11 0.00 -0.62 0.00 0.00 57.03 56.66 1jtb h ASP 33 Cb 0.61 0.33 -0.12 0.00 0.18 0.00 0.00 39.33 40.33 1jtb h ASP 33 CO -0.40 -0.74 -0.43 0.18 -3.12 0.00 0.00 179.24 174.73 1jtb n LEU 34 N -5.45 -0.75 -0.14 1.55 7.99 0.14 0.16 117.00 120.49 1jtb n LEU 34 Ca -0.15 1.56 -0.03 0.00 -0.01 0.00 0.00 56.01 57.37 1jtb n LEU 34 Cb 0.49 -0.28 0.05 0.00 -0.11 0.00 0.00 43.42 43.57 1jtb n LEU 34 CO 0.34 -1.33 0.92 -0.74 -1.51 0.00 0.00 177.39 175.07 1jtb h HIS 35 N 0.00 0.17 0.00 -1.77 2.76 0.05 0.31 115.15 116.68 1jtb h HIS 35 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1jtb h HIS 35 Cb 0.45 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1jtb h HIS 35 CO -0.84 0.02 0.00 0.09 -1.30 0.00 0.00 177.93 175.90 1jtb n ASN 36 N -5.09 0.00 -0.01 3.26 4.13 0.42 0.04 115.26 118.01 1jtb n ASN 36 Ca 0.04 -0.19 -0.22 0.00 1.68 0.00 0.00 54.58 55.90 1jtb n ASN 36 Cb 0.21 -0.24 -0.14 0.00 -1.54 0.00 0.00 39.78 38.08 1jtb n ASN 36 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1jtb h GLN 37 N 0.00 0.22 0.03 3.52 1.08 0.30 -3.41 115.11 116.86 1jtb h GLN 37 Ca 0.00 -0.38 -0.29 0.00 -1.45 0.00 0.00 58.65 56.53 1jtb h GLN 37 Cb 0.19 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1jtb h GLN 37 CO 0.00 1.18 -1.59 0.00 -0.95 0.00 0.00 178.83 177.48 1jtb h ALA 38 N -0.06 0.58 0.00 3.87 0.00 -0.29 -3.39 119.26 119.96 1jtb h ALA 38 Ca -0.37 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.23 1jtb h ALA 38 Cb 1.83 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1jtb h ALA 38 CO 0.03 1.42 0.00 1.04 0.00 0.00 0.00 179.25 181.75 1jtb n GLN 39 N -3.21 0.98 -0.00 0.00 3.00 0.11 -2.79 117.38 115.46 1jtb n GLN 39 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.85 1jtb n GLN 39 Cb 1.03 -1.03 0.01 0.00 0.00 0.00 0.00 30.24 30.25 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1jtb n SER 40 N 0.49 1.32 0.00 1.08 2.88 -1.26 -5.04 113.62 113.09 1jtb n SER 40 Ca 0.00 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1jtb n SER 40 Cb 0.48 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1jtb n SER 40 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1jtb n SER 41 N 0.07 0.97 0.00 -3.46 2.88 -1.12 -5.06 113.62 107.90 1jtb n SER 41 Ca 0.01 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1jtb n SER 41 Cb 0.09 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.40 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jtb n GLY 42 N 0.00 -1.06 0.00 0.46 0.00 -1.26 -4.78 105.19 98.55 1jtb n GLY 42 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1jtb n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jtb n ASP 43 N -2.32 0.00 -0.19 1.61 -0.08 -1.26 -0.34 116.55 113.97 1jtb n ASP 43 Ca -0.04 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.21 1jtb n ASP 43 Cb 0.58 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.08 1jtb n ASP 43 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1jtb h ARG 44 N 0.00 -0.05 0.00 -0.67 -0.00 -1.86 1.67 114.38 113.47 1jtb h ARG 44 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1jtb h ARG 44 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 29.97 29.98 1jtb h ARG 44 CO 0.00 -0.03 0.65 1.96 0.00 0.00 0.00 179.97 182.54 1jtb h GLN 45 N -0.05 0.00 0.00 0.04 4.20 -0.88 0.27 115.11 118.69 1jtb h GLN 45 Ca 0.27 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.79 1jtb h GLN 45 Cb 0.46 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1jtb h GLN 45 CO -0.60 0.00 -1.58 2.41 -0.67 0.00 0.00 178.83 178.38 1jtb n THR 46 N -2.51 1.51 -0.32 -0.54 -1.04 0.29 -4.13 114.28 107.54 1jtb n THR 46 Ca -0.01 -0.07 0.16 0.00 -2.04 0.00 0.00 64.05 62.09 1jtb n THR 46 Cb 0.67 -2.16 0.32 0.00 -1.82 0.00 0.00 70.33 67.34 1jtb n THR 46 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1jtb h VAL 47 N -1.00 0.16 -0.88 12.58 2.07 -0.45 0.72 116.25 129.45 1jtb h VAL 47 Ca -0.28 -0.03 0.22 0.00 0.82 0.00 0.00 66.70 67.43 1jtb h VAL 47 Cb 1.22 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 30.92 1jtb h VAL 47 CO -0.17 0.02 0.33 0.00 0.02 0.00 0.00 177.57 177.76 1jtb h ASN 49 N 0.31 0.46 0.41 0.00 2.35 0.28 0.14 115.58 119.53 1jtb h ASN 49 Ca 0.55 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1jtb h ASN 49 Cb 1.08 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1jtb h ASN 49 CO -0.58 1.06 -0.20 0.00 -1.65 0.00 0.00 177.43 176.07 1jtb h LEU 51 N -0.59 -0.11 -0.69 0.00 3.38 -0.50 -1.72 115.31 115.08 1jtb h LEU 51 Ca -0.06 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.07 1jtb h LEU 51 Cb 0.44 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 1jtb h LEU 51 CO 0.09 -0.03 -0.17 0.29 0.09 0.00 0.00 178.44 178.72 1jtb n LYS 52 N -2.80 -0.06 -0.15 1.13 5.02 0.47 0.95 118.16 122.71 1jtb n LYS 52 Ca -0.00 1.07 -0.09 0.00 -2.02 0.00 0.00 58.31 57.27 1jtb n LYS 52 Cb 0.02 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1jtb n LYS 52 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1jtb h GLY 53 N 0.00 0.72 0.00 0.72 0.00 -0.16 -0.25 103.07 104.09 1jtb h GLY 53 Ca 0.33 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1jtb h GLY 53 CO -0.71 0.37 -0.02 1.19 0.00 0.00 0.00 176.54 177.37 1jtb h ILE 54 N 0.57 0.53 -0.87 2.60 2.10 -0.24 -3.27 117.51 118.94 1jtb h ILE 54 Ca 0.15 -1.41 0.34 0.00 1.08 0.00 0.00 64.86 65.02 1jtb h ILE 54 Cb 0.21 1.01 -0.13 0.00 -1.09 0.00 0.00 36.82 36.82 1jtb h ILE 54 CO -0.01 0.18 0.51 0.00 -1.08 0.00 0.00 178.15 177.75 1jtb n ALA 55 N -2.75 0.88 0.00 0.18 0.00 0.27 -1.65 120.51 117.44 1jtb n ALA 55 Ca -0.03 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1jtb n ALA 55 Cb 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1jtb n ALA 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jtb n ARG 56 N -4.55 0.00 0.00 0.00 0.63 -0.11 -3.19 116.66 109.44 1jtb n ARG 56 Ca 0.30 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1jtb n ARG 56 Cb 1.06 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.97 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 -0.79 0.00 0.00 5.14 0.00 -0.77 -5.11 105.19 103.66 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 0.00 0.00 0.00 -0.61 5.41 -0.66 -4.93 119.36 118.57 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 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 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 -3.09 1.39 8.25 -1.26 -5.01 115.22 115.50 1jtb n HIS 59 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1jtb n HIS 59 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.25 2.64 -4.63 0.41 5.15 -1.23 -5.08 115.26 112.26 1jtb n ASN 60 Ca 0.00 -3.33 -0.54 0.00 -0.60 0.00 0.00 54.58 50.11 1jtb n ASN 60 Cb 0.00 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.59 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1jtb n LEU 61 N 0.12 2.48 -0.01 1.20 7.94 -1.26 -4.29 117.00 123.19 1jtb n LEU 61 Ca 0.28 0.88 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 1jtb n LEU 61 Cb 0.52 -1.21 -0.14 0.00 0.53 0.00 0.00 43.42 43.12 1jtb n LEU 61 CO 0.28 -0.44 -0.49 -1.13 -1.11 0.00 0.00 177.39 174.50 1jtb h ASN 62 N 8.95 0.07 0.00 1.96 -0.73 -0.09 -3.48 115.58 122.25 1jtb h ASN 62 Ca -0.41 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 57.63 1jtb h ASN 62 Cb 1.31 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1jtb h ASN 62 CO 0.98 1.12 0.00 -0.11 -0.37 0.00 0.00 177.43 179.05 1jtb n LEU 63 N -3.14 0.00 -0.14 0.34 -0.00 -1.26 -4.18 117.00 108.62 1jtb n LEU 63 Ca -0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.76 1jtb n LEU 63 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.45 1jtb n LEU 63 CO 0.45 0.00 0.62 0.78 -0.00 0.00 0.00 177.39 179.25 1jtb h ASN 64 N 0.00 -1.17 -0.88 1.96 4.21 -1.96 0.69 115.58 118.43 1jtb h ASN 64 Ca 0.00 0.20 0.14 0.00 1.21 0.00 0.00 56.30 57.86 1jtb h ASN 64 Cb 0.00 0.55 -0.09 0.00 -1.12 0.00 0.00 38.32 37.66 1jtb h ASN 64 CO 0.00 -0.33 0.48 -0.55 -1.29 0.00 0.00 177.43 175.74 1jtb h ASN 65 N -0.25 0.62 -0.18 5.81 -1.07 -1.95 0.52 115.58 119.08 1jtb h ASN 65 Ca 0.18 0.08 0.03 0.00 0.07 0.00 0.00 56.30 56.66 1jtb h ASN 65 Cb 0.55 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 36.75 1jtb h ASN 65 CO -0.58 0.28 0.02 0.00 0.07 0.00 0.00 177.43 177.22 1jtb h ALA 66 N 1.55 0.17 0.00 4.14 0.00 -0.13 0.12 119.26 125.11 1jtb h ALA 66 Ca 0.47 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 1jtb h ALA 66 Cb 0.62 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jtb h ALA 66 CO -0.34 -0.42 -0.12 0.00 0.00 0.00 0.00 179.25 178.37 1jtb h ALA 67 N 1.14 1.43 0.00 0.00 0.00 0.13 0.11 119.26 122.08 1jtb h ALA 67 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jtb h ALA 67 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jtb h ALA 67 CO -0.13 0.15 0.00 1.03 0.00 0.00 0.00 179.25 180.30 1jtb h SER 68 N 0.00 0.00 0.71 0.00 0.87 0.23 -3.33 113.55 112.03 1jtb h SER 68 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1jtb h SER 68 Cb 0.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1jtb h SER 68 CO 0.02 0.00 -0.34 0.40 -0.53 0.00 0.00 176.83 176.38 1jtb h ILE 69 N 0.00 0.26 -0.89 2.23 1.08 0.14 -0.30 117.51 120.03 1jtb h ILE 69 Ca 0.00 -0.12 0.18 0.00 -0.39 0.00 0.00 64.86 64.54 1jtb h ILE 69 Cb 0.84 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 34.78 1jtb h ILE 69 CO 0.00 0.01 0.44 1.55 -0.69 0.00 0.00 178.15 179.46 1jtb h PRO 70 N -1.03 0.53 0.35 2.37 0.13 -1.69 0.98 132.00 133.63 1jtb h PRO 70 Ca -0.10 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1jtb h PRO 70 Cb 0.75 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1jtb h PRO 70 CO 0.16 0.35 -0.17 1.03 -0.23 0.00 0.00 178.00 179.14 1jtb h SER 71 N 0.55 -0.40 -0.99 1.44 0.87 -1.72 -0.17 113.55 113.13 1jtb h SER 71 Ca 0.52 -0.12 0.31 0.00 -1.23 0.00 0.00 61.79 61.27 1jtb h SER 71 Cb 0.86 0.10 -0.15 0.00 -0.44 0.00 0.00 62.40 62.77 1jtb h SER 71 CO -0.43 0.06 0.54 0.50 -0.53 0.00 0.00 176.83 176.97 1jtb h LYS 72 N -1.02 0.32 -0.52 2.24 3.64 -0.21 0.48 116.57 121.49 1jtb h LYS 72 Ca -0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1jtb h LYS 72 Cb 0.49 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jtb h LYS 72 CO 0.08 0.21 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1jtb n ASN 74 N 0.54 0.00 -4.10 0.00 5.15 0.17 -4.69 115.26 112.33 1jtb n ASN 74 Ca 0.25 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.80 1jtb n ASN 74 Cb 1.01 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 40.27 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 -0.86 5.04 0.00 3.44 3.14 -0.28 -4.94 118.33 123.87 1jtb n VAL 75 Ca 0.00 -5.65 0.00 0.00 -2.96 0.00 0.00 64.34 55.73 1jtb n VAL 75 Cb 0.00 -2.25 0.00 0.00 -1.06 0.00 0.00 33.84 30.53 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 1.99 0.00 -4.92 6.55 6.94 -1.26 -4.86 115.26 119.69 1jtb n ASN 76 Ca 0.27 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.60 1jtb n ASN 76 Cb 0.35 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.74 1jtb n ASN 76 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1jtb s VAL 77 N 0.00 5.06 -0.19 3.53 -7.23 -1.26 -4.97 120.40 115.34 1jtb s VAL 77 Ca 0.00 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 1jtb s VAL 77 Cb 0.00 -3.70 -0.22 0.00 0.56 0.00 0.00 36.38 33.03 1jtb s VAL 77 CO 0.00 -0.25 0.08 -0.81 -0.31 0.00 0.00 175.10 173.81 1jtb n PRO 78 N -1.05 0.68 -0.06 4.82 -0.05 -1.26 -5.07 135.00 133.02 1jtb n PRO 78 Ca -0.08 0.16 0.00 0.00 -0.05 0.00 0.00 63.50 63.53 1jtb n PRO 78 Cb 0.56 -1.60 0.00 0.00 -0.05 0.00 0.00 33.50 32.41 1jtb n PRO 78 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 175.50 176.43 1jtb n TYR 79 N -3.19 0.00 0.00 0.54 9.36 -1.26 -4.33 117.16 118.28 1jtb n TYR 79 Ca -0.37 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.85 1jtb n TYR 79 Cb 1.05 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.76 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 0.03 0.00 -1.32 2.97 -1.04 -1.26 -4.75 114.28 108.91 1jtb n THR 80 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1jtb n THR 80 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 -4.91 12.58 2.08 -1.26 -4.98 119.36 122.87 1jtb n ILE 81 Ca 0.00 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.01 1jtb n ILE 81 Cb 0.00 -1.37 -0.15 0.00 -0.75 0.00 0.00 39.64 37.38 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 -2.18 3.21 0.19 4.38 0.01 -1.26 -4.70 113.70 113.35 1jtb s SER 82 Ca 0.00 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 1jtb s SER 82 Cb 0.00 -0.32 0.20 0.00 0.21 0.00 0.00 66.02 66.11 1jtb s SER 82 CO 0.00 0.26 1.76 -0.65 0.41 0.00 0.00 173.24 175.02 1jtb h PRO 83 N 4.81 0.39 0.00 12.44 0.11 -2.00 0.26 132.00 148.01 1jtb h PRO 83 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jtb h PRO 83 Cb 1.14 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jtb h PRO 83 CO 0.44 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1jtb n ASP 84 N -4.97 0.60 0.00 -2.05 5.68 -1.26 -4.57 116.55 109.98 1jtb n ASP 84 Ca 0.06 0.71 0.00 0.00 -0.50 0.00 0.00 54.79 55.06 1jtb n ASP 84 Cb 0.21 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.38 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jtb n ILE 85 N -2.23 0.00 -2.80 2.12 3.06 0.90 -4.82 119.36 115.59 1jtb n ILE 85 Ca 0.00 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.82 1jtb n ILE 85 Cb 0.13 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.30 1jtb n ILE 85 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1jtb s ASP 86 N 0.00 6.89 0.00 9.51 2.15 -1.26 -4.71 116.67 129.25 1jtb s ASP 86 Ca 0.00 -2.56 0.00 0.00 0.43 0.00 0.00 52.55 50.42 1jtb s ASP 86 Cb 0.00 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1jtb s ASP 86 CO 0.00 -0.99 0.00 0.00 -0.17 0.00 0.00 175.17 174.01 1jtb h SER 88 N 0.00 0.15 -2.07 0.00 4.64 -1.90 -3.38 113.55 110.99 1jtb h SER 88 Ca 0.00 -0.14 -0.64 0.00 -0.47 0.00 0.00 61.79 60.55 1jtb h SER 88 Cb 0.00 -0.05 -0.39 0.00 -0.31 0.00 0.00 62.40 61.66 1jtb h SER 88 CO 0.00 0.98 -0.28 -2.11 -0.87 0.00 0.00 176.83 174.55 1jtb n ARG 89 N -3.57 3.60 -2.37 4.77 0.00 -0.60 -5.01 116.66 113.48 1jtb n ARG 89 Ca -0.03 -4.65 -0.25 0.00 -0.00 0.00 0.00 57.85 52.93 1jtb n ARG 89 Cb 0.84 -2.28 0.09 0.00 -0.00 0.00 0.00 32.46 31.11 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1jtb s ILE 90 N -4.77 2.29 0.00 8.89 1.01 -1.26 -4.82 121.20 122.54 1jtb s ILE 90 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1jtb s ILE 90 Cb 0.31 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1jtb s ILE 90 CO -0.17 0.00 0.40 -1.22 0.00 0.00 0.00 174.94 173.95