#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 1.52 -3.83 1.96 4.05 -1.26 -5.08 115.26 112.62 1jtb n ASN 2 Ca 0.00 -2.03 -0.12 0.00 0.45 0.00 0.00 54.58 52.87 1jtb n ASN 2 Cb 0.00 -0.11 -0.12 0.00 1.23 0.00 0.00 39.78 40.78 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jtb n GLY 4 N 2.79 -0.78 0.43 0.00 0.00 -1.26 -4.87 105.19 101.50 1jtb n GLY 4 Ca -0.14 0.26 0.24 0.00 0.00 0.00 0.00 46.02 46.38 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 0.06 0.00 1.61 1.08 -1.98 -1.47 115.11 114.42 1jtb h GLN 5 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jtb h GLN 5 Cb 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1jtb h GLN 5 CO 0.00 0.04 0.00 0.28 -0.95 0.00 0.00 178.83 178.20 1jtb n VAL 6 N -4.34 0.00 -0.22 -0.54 0.31 -1.26 0.32 118.33 112.60 1jtb n VAL 6 Ca 0.16 1.47 -0.01 0.00 -0.01 0.00 0.00 64.34 65.95 1jtb n VAL 6 Cb 0.80 -2.11 0.06 0.00 -0.91 0.00 0.00 33.84 31.68 1jtb n VAL 6 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1jtb h ASP 7 N 0.00 -0.72 -0.98 4.52 1.82 -1.63 0.57 116.42 120.00 1jtb h ASP 7 Ca 0.00 0.20 0.19 0.00 -0.39 0.00 0.00 57.03 57.03 1jtb h ASP 7 Cb 0.00 0.44 -0.09 0.00 0.68 0.00 0.00 39.33 40.36 1jtb h ASP 7 CO 0.00 -0.24 0.61 -1.28 -1.61 0.00 0.00 179.24 176.73 1jtb h SER 8 N -0.03 0.69 -0.13 2.28 0.87 -0.46 0.29 113.55 117.04 1jtb h SER 8 Ca 0.30 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1jtb h SER 8 Cb 0.50 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1jtb h SER 8 CO -0.68 0.26 0.00 0.29 -0.53 0.00 0.00 176.83 176.17 1jtb n LYS 9 N -4.67 1.61 -0.01 2.24 4.76 0.15 -4.62 118.16 117.62 1jtb n LYS 9 Ca 0.22 -1.45 -0.01 0.00 -2.87 0.00 0.00 58.31 54.20 1jtb n LYS 9 Cb 0.59 -1.16 -0.01 0.00 -1.84 0.00 0.00 35.03 32.61 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 0.29 3.32 -0.15 1.97 2.81 0.18 -1.83 117.12 123.72 1jtb n MET 10 Ca 0.06 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.92 1jtb n MET 10 Cb 0.29 -1.03 -0.03 0.00 -0.71 0.00 0.00 33.22 31.74 1jtb n MET 10 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1jtb n LYS 11 N -2.11 -0.15 0.14 0.03 3.00 0.98 0.14 118.16 120.19 1jtb n LYS 11 Ca -0.02 0.76 0.19 0.00 -0.00 0.00 0.00 58.31 59.24 1jtb n LYS 11 Cb 0.53 -1.12 0.77 0.00 0.00 0.00 0.00 35.03 35.21 1jtb n LYS 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1jtb h PRO 12 N 0.00 0.00 0.02 1.64 0.13 -1.83 0.34 132.00 132.29 1jtb h PRO 12 Ca 0.06 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.87 1jtb h PRO 12 Cb 0.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.23 1jtb h PRO 12 CO -0.33 0.00 -1.82 0.00 -0.23 0.00 0.00 178.00 175.62 1jtb h LEU 14 N 0.01 -0.90 -0.35 0.00 7.12 0.16 -0.27 115.31 121.09 1jtb h LEU 14 Ca -0.33 0.03 0.04 0.00 0.13 0.00 0.00 57.88 57.75 1jtb h LEU 14 Cb 2.03 0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 42.33 1jtb h LEU 14 CO 0.07 -0.54 -0.41 0.71 -0.13 0.00 0.00 178.44 178.15 1jtb h THR 15 N -1.27 0.00 -0.73 1.05 1.35 -0.56 -0.08 112.91 112.67 1jtb h THR 15 Ca -0.11 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.82 1jtb h THR 15 Cb 0.81 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.15 1jtb h THR 15 CO 0.18 0.00 -0.43 0.00 -0.25 0.00 0.00 175.52 175.02 1jtb n TYR 16 N -4.63 -0.32 0.20 4.73 9.36 -0.69 -0.03 117.16 125.78 1jtb n TYR 16 Ca -0.02 0.91 0.06 0.00 3.32 0.00 0.00 57.90 62.18 1jtb n TYR 16 Cb 0.24 -0.55 0.42 0.00 -0.63 0.00 0.00 39.34 38.81 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 0.92 0.00 2.97 -1.51 0.32 -2.54 116.25 116.41 1jtb h VAL 17 Ca 0.12 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1jtb h VAL 17 Cb 0.30 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1jtb h VAL 17 CO -0.69 0.32 -0.25 0.06 -1.23 0.00 0.00 177.57 175.78 1jtb h GLN 18 N 0.00 0.00 0.00 5.19 3.07 0.75 0.28 115.11 124.40 1jtb h GLN 18 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1jtb h GLN 18 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1jtb h GLN 18 CO 0.04 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.37 1jtb n GLY 19 N 1.17 1.55 0.00 0.06 0.00 0.95 -2.50 105.19 106.42 1jtb n GLY 19 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.04 3.65 3.22 -0.02 0.00 0.56 -4.95 105.19 106.62 1jtb n GLY 20 Ca 0.00 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.12 0.00 -4.48 1.61 -0.02 -1.26 -3.77 135.00 126.96 1jtb n PRO 21 Ca 0.00 -0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 60.77 1jtb n PRO 21 Cb 0.00 -1.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1jtb n PRO 21 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jtb s GLY 22 N 4.69 2.46 0.16 -1.23 0.00 -1.25 -4.46 107.32 107.68 1jtb s GLY 22 Ca 0.31 -1.43 0.23 0.00 0.00 0.00 0.00 44.72 43.83 1jtb s GLY 22 CO 0.15 -1.79 1.08 -1.55 0.00 0.00 0.00 173.10 170.99 1jtb n PRO 23 N -0.83 0.49 0.00 2.90 -0.04 -1.26 -4.83 135.00 131.43 1jtb n PRO 23 Ca -0.04 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1jtb n PRO 23 Cb 0.65 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.44 0.00 -0.07 3.54 7.64 -1.26 -0.68 113.62 120.35 1jtb n SER 24 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 1jtb n SER 24 Cb 0.51 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.00 -0.86 0.21 0.23 0.00 -1.26 -4.29 105.19 99.22 1jtb n GLY 25 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 0.01 0.27 0.00 1.61 9.09 -1.99 -0.42 114.58 123.14 1jtb h GLU 26 Ca -0.47 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1jtb h GLU 26 Cb 2.11 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 29.15 1jtb h GLU 26 CO 0.03 0.18 0.00 0.00 0.05 0.00 0.00 179.01 179.26 1jtb h ASN 29 N 0.00 0.95 0.22 0.00 7.08 -1.10 -0.06 115.58 122.67 1jtb h ASN 29 Ca 0.26 -0.11 -0.01 0.00 -3.08 0.00 0.00 56.30 53.36 1jtb h ASN 29 Cb 0.51 -0.24 -0.01 0.00 -2.08 0.00 0.00 38.32 36.50 1jtb h ASN 29 CO -0.96 0.79 -0.18 1.23 -2.08 0.00 0.00 177.43 176.22 1jtb h GLY 30 N 1.03 -0.82 -0.32 9.14 0.00 0.30 0.24 103.07 112.63 1jtb h GLY 30 Ca 0.26 0.36 0.16 0.00 0.00 0.00 0.00 47.33 48.10 1jtb h GLY 30 CO -0.04 -0.28 -0.05 -2.08 0.00 0.00 0.00 176.54 174.10 1jtb h VAL 31 N -0.39 0.35 0.92 4.60 2.07 0.71 0.36 116.25 124.87 1jtb h VAL 31 Ca -0.03 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1jtb h VAL 31 Cb 0.33 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1jtb h VAL 31 CO -0.00 0.01 -0.44 -0.09 0.02 0.00 0.00 177.57 177.07 1jtb h ARG 32 N 0.07 -1.19 -0.75 1.57 1.12 -0.76 0.26 114.38 114.70 1jtb h ARG 32 Ca 0.38 0.08 0.09 0.00 -1.11 0.00 0.00 59.98 59.41 1jtb h ARG 32 Cb 0.63 0.27 -0.11 0.00 -0.01 0.00 0.00 29.97 30.75 1jtb h ARG 32 CO -0.66 -0.79 -0.52 0.22 -3.11 0.00 0.00 179.97 175.11 1jtb h ASP 33 N -1.28 -1.83 -0.30 -3.80 3.58 0.73 0.18 116.42 113.69 1jtb h ASP 33 Ca -0.13 0.29 0.04 0.00 0.42 0.00 0.00 57.03 57.65 1jtb h ASP 33 Cb 0.95 0.82 -0.06 0.00 1.72 0.00 0.00 39.33 42.75 1jtb h ASP 33 CO 0.21 -0.31 -0.43 -0.07 -2.88 0.00 0.00 179.24 175.76 1jtb h LEU 34 N -0.15 -1.43 -1.85 2.28 -0.00 -0.22 0.52 115.31 114.45 1jtb h LEU 34 Ca 0.17 0.19 0.19 0.00 -0.00 0.00 0.00 57.88 58.42 1jtb h LEU 34 Cb 0.52 0.59 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 1jtb h LEU 34 CO -0.80 -0.31 0.63 -0.74 -0.00 0.00 0.00 178.44 177.21 1jtb h HIS 35 N -0.31 0.00 -0.00 1.13 2.76 0.24 0.51 115.15 119.47 1jtb h HIS 35 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1jtb h HIS 35 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1jtb h HIS 35 CO -0.69 0.00 -0.77 0.09 -1.30 0.00 0.00 177.93 175.26 1jtb n ASN 36 N -3.77 1.15 -0.01 3.26 4.13 0.15 -4.08 115.26 116.08 1jtb n ASN 36 Ca 0.13 -0.99 0.06 0.00 1.68 0.00 0.00 54.58 55.46 1jtb n ASN 36 Cb 0.87 0.72 -0.11 0.00 -1.54 0.00 0.00 39.78 39.71 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jtb n GLN 37 N -1.13 0.62 -2.77 3.52 10.64 0.53 -4.56 117.38 124.23 1jtb n GLN 37 Ca 0.06 -0.12 -0.40 0.00 -1.83 0.00 0.00 57.00 54.71 1jtb n GLN 37 Cb 0.36 -1.35 0.01 0.00 -0.86 0.00 0.00 30.24 28.40 1jtb n GLN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jtb n ALA 38 N -2.08 5.72 0.10 2.61 0.00 0.16 -4.49 120.51 122.53 1jtb n ALA 38 Ca -0.05 -4.67 0.04 0.00 0.00 0.00 0.00 53.44 48.76 1jtb n ALA 38 Cb 0.46 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 1jtb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jtb n GLN 39 N 0.27 1.56 0.00 0.00 -0.00 -1.26 -3.88 117.38 114.07 1jtb n GLN 39 Ca 0.40 -0.05 0.00 0.00 -0.00 0.00 0.00 57.00 57.36 1jtb n GLN 39 Cb 0.29 -1.08 0.00 0.00 -0.00 0.00 0.00 30.24 29.45 1jtb n GLN 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1jtb n SER 40 N -1.58 0.00 0.00 2.61 7.64 -1.26 -5.03 113.62 116.00 1jtb n SER 40 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.87 1jtb n SER 40 Cb 0.17 0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1jtb n SER 40 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jtb n SER 41 N -1.81 0.15 -3.11 6.43 7.64 -1.26 -4.81 113.62 116.85 1jtb n SER 41 Ca 0.00 0.02 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 1jtb n SER 41 Cb 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 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 3.11 4.59 2.21 0.23 0.00 -1.26 -4.85 105.19 109.22 1jtb n GLY 42 Ca -0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 1jtb n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jtb n ASP 43 N 2.11 0.13 -0.03 1.61 9.92 -1.26 -3.81 116.55 125.22 1jtb n ASP 43 Ca 0.62 -1.31 0.19 0.00 -0.53 0.00 0.00 54.79 53.76 1jtb n ASP 43 Cb 0.37 -0.56 0.65 0.00 -0.64 0.00 0.00 41.12 40.94 1jtb n ASP 43 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1jtb h ARG 44 N 0.00 0.08 -1.00 -1.24 3.08 -1.90 0.16 114.38 113.56 1jtb h ARG 44 Ca -0.24 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.94 1jtb h ARG 44 Cb 0.68 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.62 1jtb h ARG 44 CO 0.18 0.05 0.62 1.96 -1.07 0.00 0.00 179.97 181.71 1jtb h GLN 45 N 0.08 0.91 0.06 0.04 4.20 -1.92 0.53 115.11 119.02 1jtb h GLN 45 Ca 0.27 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1jtb h GLN 45 Cb 0.97 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1jtb h GLN 45 CO -0.02 0.60 -0.03 1.15 -0.67 0.00 0.00 178.83 179.86 1jtb h THR 46 N 0.93 1.24 -0.84 -0.54 2.02 -1.03 -2.13 112.91 112.57 1jtb h THR 46 Ca 0.52 -1.28 0.13 0.00 0.77 0.00 0.00 66.41 66.55 1jtb h THR 46 Cb 0.59 2.05 -0.09 0.00 -1.74 0.00 0.00 68.15 68.96 1jtb h THR 46 CO -0.30 0.31 0.44 1.62 0.37 0.00 0.00 175.52 177.97 1jtb h VAL 47 N -0.69 0.78 0.30 3.16 3.04 -0.64 -0.44 116.25 121.76 1jtb h VAL 47 Ca -0.01 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 1jtb h VAL 47 Cb 0.57 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.88 1jtb h VAL 47 CO 0.01 0.12 -0.38 0.00 -1.01 0.00 0.00 177.57 176.31 1jtb h ASN 49 N -0.70 0.67 0.64 0.00 2.35 -0.66 0.62 115.58 118.50 1jtb h ASN 49 Ca -0.04 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1jtb h ASN 49 Cb 0.63 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.00 1jtb h ASN 49 CO -0.09 0.20 -0.31 0.00 -1.65 0.00 0.00 177.43 175.59 1jtb h LEU 51 N -0.93 -1.40 -0.03 0.00 -0.00 0.17 0.21 115.31 113.33 1jtb h LEU 51 Ca -0.09 0.28 0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1jtb h LEU 51 Cb 0.68 0.70 -0.03 0.00 -0.00 0.00 0.00 40.66 42.01 1jtb h LEU 51 CO 0.14 -0.30 -0.29 0.11 -0.00 0.00 0.00 178.44 178.11 1jtb h LYS 52 N -0.08 -0.33 -0.61 1.13 1.79 -0.59 0.41 116.57 118.29 1jtb h LYS 52 Ca 0.28 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1jtb h LYS 52 Cb 0.57 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1jtb h LYS 52 CO -0.85 -0.22 0.38 0.78 -1.08 0.00 0.00 179.45 178.46 1jtb h GLY 53 N -0.34 0.87 0.28 3.86 0.00 -0.01 -2.23 103.07 105.50 1jtb h GLY 53 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1jtb h GLY 53 CO -0.21 0.34 -0.02 1.19 0.00 0.00 0.00 176.54 177.84 1jtb h ILE 54 N 0.84 1.38 -0.97 2.60 -0.00 -0.49 -3.17 117.51 117.69 1jtb h ILE 54 Ca 0.22 -1.57 0.31 0.00 -0.00 0.00 0.00 64.86 63.82 1jtb h ILE 54 Cb -0.05 2.38 -0.17 0.00 -0.00 0.00 0.00 36.82 38.98 1jtb h ILE 54 CO -0.04 0.38 0.27 0.00 -0.00 0.00 0.00 178.15 178.76 1jtb h ALA 55 N 0.10 1.55 0.00 0.18 0.00 -0.02 -2.74 119.26 118.33 1jtb h ALA 55 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jtb h ALA 55 Cb 0.67 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jtb h ALA 55 CO 0.01 -0.66 0.00 -2.13 0.00 0.00 0.00 179.25 176.47 1jtb n ARG 56 N -5.32 0.00 -0.19 0.00 0.63 -0.85 -0.50 116.66 110.43 1jtb n ARG 56 Ca 0.28 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.22 1jtb n ARG 56 Cb 0.91 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.84 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 -0.63 0.05 0.10 5.14 0.00 -1.08 -5.00 105.19 103.77 1jtb n GLY 57 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.25 -0.12 0.00 -0.61 5.41 0.34 -4.93 119.36 119.20 1jtb n ILE 58 Ca 0.02 0.65 0.00 0.00 1.00 0.00 0.00 62.75 64.42 1jtb n ILE 58 Cb 0.55 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1jtb n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1jtb n HIS 59 N -4.14 0.00 -3.05 1.39 -0.00 -1.26 -4.89 115.22 103.26 1jtb n HIS 59 Ca 0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 1jtb n HIS 59 Cb 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.19 1jtb n HIS 59 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1jtb n ASN 60 N 0.00 3.76 -4.53 0.26 4.13 -1.04 -5.04 115.26 112.79 1jtb n ASN 60 Ca 0.00 -3.53 -0.23 0.00 1.68 0.00 0.00 54.58 52.50 1jtb n ASN 60 Cb 0.00 -0.59 -0.13 0.00 -1.54 0.00 0.00 39.78 37.52 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1jtb n LEU 61 N 0.03 0.55 -4.25 3.41 7.94 -1.25 -4.23 117.00 119.20 1jtb n LEU 61 Ca 0.30 -0.82 -0.43 0.00 -1.11 0.00 0.00 56.01 53.94 1jtb n LEU 61 Cb 0.43 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1jtb n LEU 61 CO 0.33 -1.84 1.63 -3.20 -1.11 0.00 0.00 177.39 173.20 1jtb n ASN 62 N 12.75 5.15 -0.33 1.96 2.85 0.97 -4.83 115.26 133.78 1jtb n ASN 62 Ca 0.55 -3.02 0.18 0.00 -0.11 0.00 0.00 54.58 52.19 1jtb n ASN 62 Cb 0.30 -1.55 0.36 0.00 1.24 0.00 0.00 39.78 40.13 1jtb n ASN 62 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1jtb h LEU 63 N 9.19 -0.15 -0.21 1.20 7.12 -1.87 0.40 115.31 131.00 1jtb h LEU 63 Ca 0.35 0.25 0.04 0.00 0.13 0.00 0.00 57.88 58.66 1jtb h LEU 63 Cb 0.78 0.37 -0.07 0.00 -0.53 0.00 0.00 40.66 41.22 1jtb h LEU 63 CO 1.39 -0.32 -0.48 0.78 -0.13 0.00 0.00 178.44 179.68 1jtb h ASN 64 N 0.07 -1.55 0.08 1.25 4.21 -1.97 0.38 115.58 118.05 1jtb h ASN 64 Ca 0.65 0.20 0.02 0.00 1.21 0.00 0.00 56.30 58.38 1jtb h ASN 64 Cb 1.44 0.63 -0.05 0.00 -1.12 0.00 0.00 38.32 39.22 1jtb h ASN 64 CO -0.81 -0.44 -0.34 -1.13 -1.29 0.00 0.00 177.43 173.42 1jtb h ASN 65 N -0.49 -1.01 -0.56 5.81 -1.24 -0.65 -2.43 115.58 115.01 1jtb h ASN 65 Ca 0.07 0.12 0.11 0.00 0.71 0.00 0.00 56.30 57.31 1jtb h ASN 65 Cb 0.64 0.39 -0.10 0.00 0.73 0.00 0.00 38.32 39.98 1jtb h ASN 65 CO -0.47 -0.42 -0.10 0.00 -1.29 0.00 0.00 177.43 175.15 1jtb h ALA 66 N 0.09 0.42 -0.41 1.57 0.00 -0.17 0.18 119.26 120.94 1jtb h ALA 66 Ca 0.04 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.27 1jtb h ALA 66 Cb 0.60 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1jtb h ALA 66 CO -0.23 -0.43 0.39 0.00 0.00 0.00 0.00 179.25 178.98 1jtb h ALA 67 N 1.54 2.17 0.00 0.00 0.00 0.19 0.48 119.26 123.64 1jtb h ALA 67 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1jtb h ALA 67 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jtb h ALA 67 CO -0.55 -0.60 -0.29 1.03 0.00 0.00 0.00 179.25 178.85 1jtb h SER 68 N 0.00 0.00 0.20 0.00 0.87 -0.25 -3.36 113.55 111.01 1jtb h SER 68 Ca 0.19 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1jtb h SER 68 Cb 0.97 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 1jtb h SER 68 CO -0.00 0.13 -0.35 0.40 -0.53 0.00 0.00 176.83 176.47 1jtb h ILE 69 N 0.00 0.27 -0.76 2.23 2.04 0.26 0.19 117.51 121.74 1jtb h ILE 69 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1jtb h ILE 69 Cb 1.10 0.27 -0.13 0.00 -0.74 0.00 0.00 36.82 37.32 1jtb h ILE 69 CO 0.02 0.00 0.06 -0.65 0.00 0.00 0.00 178.15 177.58 1jtb h PRO 70 N -0.63 0.14 -0.19 2.37 0.11 -1.70 0.34 132.00 132.44 1jtb h PRO 70 Ca 0.01 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1jtb h PRO 70 Cb 0.63 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1jtb h PRO 70 CO -0.16 0.09 -0.00 0.77 -0.21 0.00 0.00 178.00 178.49 1jtb h SER 71 N 0.14 0.33 0.15 -2.05 0.02 -1.65 -0.96 113.55 109.53 1jtb h SER 71 Ca 0.43 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1jtb h SER 71 Cb 0.76 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1jtb h SER 71 CO -0.63 0.56 -0.61 0.50 -1.14 0.00 0.00 176.83 175.51 1jtb h LYS 72 N 0.08 0.45 -1.01 3.45 3.64 -0.27 -3.33 116.57 119.59 1jtb h LYS 72 Ca 0.05 -0.31 -0.51 0.00 -1.27 0.00 0.00 60.65 58.62 1jtb h LYS 72 Cb 0.40 0.05 -0.29 0.00 -0.41 0.00 0.00 32.23 31.97 1jtb h LYS 72 CO 0.01 0.92 0.64 0.00 -2.27 0.00 0.00 179.45 178.76 1jtb n ASN 74 N -1.02 -1.52 -2.73 0.00 4.05 -1.13 -4.65 115.26 108.27 1jtb n ASN 74 Ca 0.57 -0.71 -0.16 0.00 0.45 0.00 0.00 54.58 54.73 1jtb n ASN 74 Cb 1.51 -1.36 0.01 0.00 1.23 0.00 0.00 39.78 41.16 1jtb n ASN 74 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1jtb n VAL 75 N -3.46 1.27 -0.03 3.44 3.14 -0.39 -4.89 118.33 117.41 1jtb n VAL 75 Ca 0.08 -3.93 -0.10 0.00 -2.96 0.00 0.00 64.34 57.43 1jtb n VAL 75 Cb 0.44 -0.08 -0.04 0.00 -1.06 0.00 0.00 33.84 33.10 1jtb n VAL 75 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jtb h ASN 76 N 2.90 0.19 -1.84 6.55 7.08 -1.80 -3.40 115.58 125.26 1jtb h ASN 76 Ca 0.04 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 1jtb h ASN 76 Cb 1.04 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.23 1jtb h ASN 76 CO 0.60 0.14 0.00 0.55 -2.08 0.00 0.00 177.43 176.64 1jtb n VAL 77 N -4.97 0.00 0.00 6.14 3.14 -1.26 -4.13 118.33 117.25 1jtb n VAL 77 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1jtb n VAL 77 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1jtb n VAL 77 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1jtb n PRO 78 N -0.35 0.00 -1.44 1.45 -0.04 -1.26 -4.89 135.00 128.47 1jtb n PRO 78 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1jtb n PRO 78 Cb 0.00 -0.42 0.08 0.00 -0.04 0.00 0.00 33.50 33.12 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 1.07 0.62 0.00 0.54 9.36 -1.26 -4.68 117.16 122.80 1jtb n TYR 79 Ca 0.00 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1jtb n TYR 79 Cb 0.00 -2.09 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 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 -2.27 0.00 -4.12 2.97 -1.04 -1.26 -4.75 114.28 103.81 1jtb n THR 80 Ca 0.13 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.85 1jtb n THR 80 Cb 0.49 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.91 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 -0.69 -4.35 12.58 2.08 -1.26 -4.95 119.36 122.77 1jtb n ILE 81 Ca 0.00 -0.34 -0.24 0.00 0.56 0.00 0.00 62.75 62.73 1jtb n ILE 81 Cb 0.00 -0.78 -0.08 0.00 -0.75 0.00 0.00 39.64 38.02 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 -3.95 4.16 0.97 4.38 0.01 -1.26 -4.81 113.70 113.20 1jtb s SER 82 Ca 0.16 -0.89 -0.12 0.00 1.31 0.00 0.00 55.95 56.41 1jtb s SER 82 Cb -0.10 -0.58 0.17 0.00 0.21 0.00 0.00 66.02 65.73 1jtb s SER 82 CO 0.89 -0.10 1.09 -2.16 0.41 0.00 0.00 173.24 173.36 1jtb s PRO 83 N -3.66 0.68 0.00 12.44 0.04 -1.26 -4.27 135.00 138.97 1jtb s PRO 83 Ca 0.33 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1jtb s PRO 83 Cb -0.03 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1jtb s PRO 83 CO 0.19 -2.59 0.00 -0.25 0.04 0.00 0.00 177.00 174.38 1jtb n ASP 84 N -4.10 0.00 -1.80 6.66 8.00 -1.26 -4.74 116.55 119.31 1jtb n ASP 84 Ca 0.06 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.39 1jtb n ASP 84 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jtb n ILE 85 N -0.26 0.00 -1.60 0.53 0.00 -1.26 -4.91 119.36 111.86 1jtb n ILE 85 Ca 0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 62.75 62.17 1jtb n ILE 85 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 39.64 39.70 1jtb n ILE 85 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1jtb n ASP 86 N 1.13 7.57 0.00 9.51 5.75 -1.26 -4.91 116.55 134.34 1jtb n ASP 86 Ca 0.03 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.03 1jtb n ASP 86 Cb 0.21 -1.03 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 1jtb n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jtb n SER 88 N 0.00 0.28 -3.04 0.00 2.88 -1.26 -4.96 113.62 107.53 1jtb n SER 88 Ca 0.00 -0.88 -0.09 0.00 -1.33 0.00 0.00 58.87 56.57 1jtb n SER 88 Cb 0.00 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 1jtb n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jtb s ARG 89 N -0.05 0.94 0.43 -1.46 3.03 -1.26 -5.14 118.95 115.44 1jtb s ARG 89 Ca 0.00 -1.08 0.02 0.00 2.03 0.00 0.00 55.73 56.70 1jtb s ARG 89 Cb 0.00 -0.36 -0.00 0.00 -1.03 0.00 0.00 34.95 33.56 1jtb s ARG 89 CO 0.00 -1.30 0.63 0.42 -1.13 0.00 0.00 175.30 173.92 1jtb s ILE 90 N 0.98 3.88 -0.24 4.99 1.01 -1.26 -4.82 121.20 125.74 1jtb s ILE 90 Ca 0.26 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1jtb s ILE 90 Cb -0.02 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.05 1jtb s ILE 90 CO -0.08 -0.25 0.56 -1.22 0.00 0.00 0.00 174.94 173.95