#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 -7.60 -0.04 1.45 4.13 -1.26 -4.88 115.26 107.06 1jtb n ASN 2 Ca 0.00 0.16 0.02 0.00 1.68 0.00 0.00 54.58 56.43 1jtb n ASN 2 Cb 0.00 -4.97 0.02 0.00 -1.54 0.00 0.00 39.78 33.29 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jtb n GLY 4 N -0.55 0.00 0.27 0.00 0.00 -1.26 0.37 105.19 104.02 1jtb n GLY 4 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1jtb n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jtb n GLN 5 N -1.11 -0.06 -0.02 1.61 6.02 -1.26 -0.62 117.38 121.93 1jtb n GLN 5 Ca 0.00 1.15 -0.05 0.00 -0.01 0.00 0.00 57.00 58.09 1jtb n GLN 5 Cb 0.00 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.44 1jtb n GLN 5 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1jtb h VAL 6 N 0.00 0.00 -0.52 5.09 2.07 -0.51 -1.62 116.25 120.77 1jtb h VAL 6 Ca 0.42 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.03 1jtb h VAL 6 Cb 0.79 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 1jtb h VAL 6 CO -0.74 0.00 -0.38 -0.78 0.02 0.00 0.00 177.57 175.69 1jtb h ASP 7 N -0.17 -1.29 -1.00 0.57 1.82 -1.05 0.63 116.42 115.93 1jtb h ASP 7 Ca 0.02 0.22 0.20 0.00 -0.39 0.00 0.00 57.03 57.08 1jtb h ASP 7 Cb 0.22 0.60 -0.19 0.00 0.68 0.00 0.00 39.33 40.64 1jtb h ASP 7 CO -0.17 -0.33 -0.24 -0.24 -1.61 0.00 0.00 179.24 176.65 1jtb n SER 8 N -5.42 -0.35 -0.18 2.28 2.88 -0.77 -0.50 113.62 111.56 1jtb n SER 8 Ca 0.02 1.72 0.02 0.00 -1.33 0.00 0.00 58.87 59.29 1jtb n SER 8 Cb 0.35 -0.52 0.04 0.00 -0.75 0.00 0.00 64.21 63.33 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 -5.62 1.83 0.00 -1.46 4.76 -0.68 -4.68 118.16 112.31 1jtb n LYS 9 Ca 0.16 -1.36 0.00 0.00 -2.87 0.00 0.00 58.31 54.24 1jtb n LYS 9 Cb 0.50 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 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 -0.06 5.66 -0.24 1.97 2.81 0.21 -4.46 117.12 123.01 1jtb n MET 10 Ca 0.03 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.85 1jtb n MET 10 Cb 0.23 -0.56 -0.03 0.00 -0.71 0.00 0.00 33.22 32.16 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 -1.24 0.03 1.63 -0.89 1.00 116.57 116.92 1jtb h LYS 11 Ca 0.00 0.01 0.36 0.00 -0.85 0.00 0.00 60.65 60.17 1jtb h LYS 11 Cb 0.00 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 1jtb h LYS 11 CO 0.00 -0.11 0.86 -1.00 -3.45 0.00 0.00 179.45 175.75 1jtb h PRO 12 N -0.18 0.11 0.07 1.90 0.13 -1.87 0.26 132.00 132.42 1jtb h PRO 12 Ca 0.20 -0.01 -0.27 0.00 -0.87 0.00 0.00 66.00 65.05 1jtb h PRO 12 Cb 0.56 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 1jtb h PRO 12 CO -0.74 0.07 -1.40 0.00 -0.23 0.00 0.00 178.00 175.70 1jtb h LEU 14 N 0.04 -0.68 -0.65 0.00 6.46 0.77 -2.13 115.31 119.13 1jtb h LEU 14 Ca -0.18 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1jtb h LEU 14 Cb 1.95 0.18 -0.12 0.00 -0.73 0.00 0.00 40.66 41.93 1jtb h LEU 14 CO 0.14 -0.32 -0.39 0.71 -0.62 0.00 0.00 178.44 177.96 1jtb h THR 15 N -1.08 0.11 -0.67 1.05 1.35 -0.65 0.13 112.91 113.15 1jtb h THR 15 Ca -0.08 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.85 1jtb h THR 15 Cb 0.67 0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 67.09 1jtb h THR 15 CO 0.13 0.00 -0.56 0.22 -0.25 0.00 0.00 175.52 175.07 1jtb h TYR 16 N -0.16 -1.73 -0.49 4.73 3.20 -1.05 0.39 116.97 121.86 1jtb h TYR 16 Ca 0.22 0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.22 1jtb h TYR 16 Cb 0.56 0.84 -0.03 0.00 1.54 0.00 0.00 36.73 39.65 1jtb h TYR 16 CO -0.71 -0.44 0.33 -0.39 -1.64 0.00 0.00 178.16 175.31 1jtb h VAL 17 N -0.22 1.07 -0.00 1.81 -1.51 -0.09 -2.25 116.25 115.06 1jtb h VAL 17 Ca 0.12 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1jtb h VAL 17 Cb 0.52 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1jtb h VAL 17 CO -0.75 0.11 -0.41 0.00 -1.23 0.00 0.00 177.57 175.29 1jtb n GLN 18 N -4.47 0.09 -0.20 5.19 10.64 -0.79 -3.22 117.38 124.62 1jtb n GLN 18 Ca 0.05 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1jtb n GLN 18 Cb 0.12 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 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 1.48 0.52 0.00 2.61 0.00 0.50 -5.03 105.19 105.26 1jtb n GLY 19 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.10 4.90 2.30 -0.02 0.00 0.11 -4.96 105.19 107.43 1jtb n GLY 20 Ca 0.00 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 43.96 1jtb n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jtb n PRO 21 N 0.00 0.05 -4.18 1.61 -0.04 -1.26 -4.05 135.00 127.13 1jtb n PRO 21 Ca 0.00 -0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 1jtb n PRO 21 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1jtb n PRO 21 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jtb s GLY 22 N 2.62 0.89 -0.10 0.55 0.00 -1.25 -4.56 107.32 105.46 1jtb s GLY 22 Ca 0.01 -1.02 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 1jtb s GLY 22 CO 0.00 -1.05 0.20 2.56 0.00 0.00 0.00 173.10 174.81 1jtb s PRO 23 N -1.78 3.57 -0.01 2.90 0.04 -1.26 -4.62 135.00 133.85 1jtb s PRO 23 Ca -0.01 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.08 1jtb s PRO 23 Cb -0.10 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1jtb s PRO 23 CO 0.02 0.74 -0.23 -1.12 0.04 0.00 0.00 177.00 176.45 1jtb s SER 24 N -0.97 2.69 0.10 6.66 0.01 -1.26 -5.05 113.70 115.88 1jtb s SER 24 Ca 0.17 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 1jtb s SER 24 Cb -0.13 -0.29 0.13 0.00 0.21 0.00 0.00 66.02 65.94 1jtb s SER 24 CO 0.06 0.27 0.67 0.61 0.41 0.00 0.00 173.24 175.25 1jtb n GLY 25 N 2.40 -0.84 0.55 3.44 0.00 -1.26 0.00 105.19 109.47 1jtb n GLY 25 Ca -0.16 0.47 0.37 0.00 0.00 0.00 0.00 46.02 46.71 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 0.04 1.61 4.11 -1.99 -0.77 114.58 117.62 1jtb h GLU 26 Ca 0.16 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 1jtb h GLU 26 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jtb h GLU 26 CO -0.43 0.03 -0.02 0.00 0.07 0.00 0.00 179.01 178.66 1jtb h ASN 29 N 0.08 -0.01 -0.87 0.00 7.08 -1.46 -1.58 115.58 118.82 1jtb h ASN 29 Ca 0.52 -0.70 0.11 0.00 -3.08 0.00 0.00 56.30 53.15 1jtb h ASN 29 Cb 1.01 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 37.13 1jtb h ASN 29 CO -0.78 0.82 -0.50 1.23 -2.08 0.00 0.00 177.43 176.12 1jtb h GLY 30 N -0.97 -0.51 0.58 9.14 0.00 0.34 0.51 103.07 112.17 1jtb h GLY 30 Ca -0.00 0.66 0.05 0.00 0.00 0.00 0.00 47.33 48.04 1jtb h GLY 30 CO 0.00 -0.08 0.03 -2.08 0.00 0.00 0.00 176.54 174.41 1jtb h VAL 31 N -0.08 0.81 0.03 4.60 2.07 -0.14 0.35 116.25 123.89 1jtb h VAL 31 Ca 0.21 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1jtb h VAL 31 Cb 0.51 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1jtb h VAL 31 CO -0.88 0.02 -0.32 -0.09 0.02 0.00 0.00 177.57 176.32 1jtb h ARG 32 N 0.12 -0.47 0.70 1.57 1.12 0.94 0.27 114.38 118.63 1jtb h ARG 32 Ca 0.14 0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 1jtb h ARG 32 Cb 0.18 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1jtb h ARG 32 CO -0.22 -0.32 -0.40 -0.44 -3.11 0.00 0.00 179.97 175.48 1jtb h ASP 33 N -0.49 -1.00 -0.75 -3.80 5.19 -0.36 -1.83 116.42 113.37 1jtb h ASP 33 Ca 0.05 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.62 1jtb h ASP 33 Cb 0.56 0.28 -0.11 0.00 0.18 0.00 0.00 39.33 40.25 1jtb h ASP 33 CO -0.25 -0.64 -0.34 0.18 -3.12 0.00 0.00 179.24 175.07 1jtb n LEU 34 N -4.97 -0.59 -0.32 1.55 7.99 0.12 0.44 117.00 121.21 1jtb n LEU 34 Ca -0.13 1.33 0.01 0.00 -0.01 0.00 0.00 56.01 57.21 1jtb n LEU 34 Cb 0.42 -0.26 0.07 0.00 -0.11 0.00 0.00 43.42 43.54 1jtb n LEU 34 CO 0.30 -1.16 0.64 -0.74 -1.51 0.00 0.00 177.39 174.92 1jtb h HIS 35 N 0.00 -0.77 0.00 -1.77 -0.00 0.34 0.28 115.15 113.23 1jtb h HIS 35 Ca 0.22 0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1jtb h HIS 35 Cb 0.41 0.47 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1jtb h HIS 35 CO -0.70 -0.39 -1.15 0.27 -0.00 0.00 0.00 177.93 175.96 1jtb n ASN 36 N -5.52 0.58 0.14 3.26 0.23 0.13 -4.37 115.26 109.72 1jtb n ASN 36 Ca 0.11 -0.20 -0.24 0.00 -0.53 0.00 0.00 54.58 53.72 1jtb n ASN 36 Cb 0.42 0.94 -0.16 0.00 -2.08 0.00 0.00 39.78 38.90 1jtb n ASN 36 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1jtb h GLN 37 N 0.00 0.52 -1.52 -3.83 1.08 0.11 -3.38 115.11 108.08 1jtb h GLN 37 Ca 0.00 -0.89 -0.29 0.00 -1.45 0.00 0.00 58.65 56.02 1jtb h GLN 37 Cb 0.77 0.33 -0.13 0.00 -0.05 0.00 0.00 27.48 28.40 1jtb h GLN 37 CO 0.00 1.42 0.37 0.00 -0.95 0.00 0.00 178.83 179.68 1jtb n ALA 38 N -2.72 4.93 -2.67 3.87 0.00 0.89 -4.12 120.51 120.69 1jtb n ALA 38 Ca -0.17 -1.49 -0.08 0.00 0.00 0.00 0.00 53.44 51.71 1jtb n ALA 38 Cb 1.10 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 0.40 1.78 -0.03 0.00 10.64 -1.26 -1.73 117.38 127.18 1jtb n GLN 39 Ca 0.27 -3.54 -0.03 0.00 -1.83 0.00 0.00 57.00 51.87 1jtb n GLN 39 Cb 0.60 -1.57 -0.01 0.00 -0.86 0.00 0.00 30.24 28.41 1jtb n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1jtb n SER 40 N -0.39 0.92 0.00 2.61 3.41 -1.26 -4.90 113.62 114.01 1jtb n SER 40 Ca 0.13 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1jtb n SER 40 Cb 0.81 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1jtb n SER 40 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1jtb n SER 41 N -3.41 1.35 0.00 4.04 2.88 -1.26 -4.95 113.62 112.27 1jtb n SER 41 Ca -0.05 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.84 1jtb n SER 41 Cb 0.20 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.32 0.84 0.00 0.46 0.00 -1.26 -5.04 105.19 99.87 1jtb n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 9.92 -1.26 0.38 116.55 127.21 1jtb n ASP 43 Ca 0.00 0.68 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1jtb n ASP 43 Cb 0.00 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 1jtb n ASP 43 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1jtb n ARG 44 N -2.57 0.00 -0.12 -1.24 1.74 -0.71 -0.06 116.66 113.70 1jtb n ARG 44 Ca 0.00 0.20 -0.23 0.00 -0.77 0.00 0.00 57.85 57.05 1jtb n ARG 44 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 1jtb n ARG 44 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jtb n GLN 45 N -1.20 0.56 -0.17 5.56 1.13 0.16 -1.35 117.38 122.07 1jtb n GLN 45 Ca 0.00 0.31 -0.02 0.00 -1.94 0.00 0.00 57.00 55.35 1jtb n GLN 45 Cb 0.00 -1.52 0.06 0.00 0.11 0.00 0.00 30.24 28.89 1jtb n GLN 45 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1jtb h THR 46 N -1.00 0.53 0.35 5.09 2.02 0.12 0.29 112.91 120.31 1jtb h THR 46 Ca -0.45 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1jtb h THR 46 Cb 1.37 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1jtb h THR 46 CO -0.27 0.01 -0.21 0.58 0.37 0.00 0.00 175.52 175.99 1jtb h VAL 47 N 0.07 0.55 -0.88 3.16 2.07 -0.65 -1.80 116.25 118.78 1jtb h VAL 47 Ca 0.27 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.01 1jtb h VAL 47 Cb 0.42 0.55 -0.15 0.00 -1.52 0.00 0.00 31.29 30.58 1jtb h VAL 47 CO -0.49 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.18 1jtb h ASN 49 N 0.10 -0.65 -0.20 0.00 -0.73 -0.07 0.40 115.58 114.41 1jtb h ASN 49 Ca 0.52 0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.84 1jtb h ASN 49 Cb 1.02 0.40 -0.01 0.00 0.27 0.00 0.00 38.32 40.00 1jtb h ASN 49 CO -0.76 -0.22 -0.00 0.00 -0.37 0.00 0.00 177.43 176.08 1jtb h LEU 51 N 0.12 -1.89 -0.86 0.00 -0.00 0.24 0.80 115.31 113.72 1jtb h LEU 51 Ca 0.06 0.27 0.14 0.00 -0.00 0.00 0.00 57.88 58.34 1jtb h LEU 51 Cb 0.40 0.81 -0.14 0.00 -0.00 0.00 0.00 40.66 41.73 1jtb h LEU 51 CO 0.01 -0.34 -0.33 0.29 -0.00 0.00 0.00 178.44 178.07 1jtb n LYS 52 N -5.35 -0.19 0.15 1.13 4.76 0.11 -0.54 118.16 118.23 1jtb n LYS 52 Ca -0.01 1.33 -0.12 0.00 -2.87 0.00 0.00 58.31 56.64 1jtb n LYS 52 Cb 0.32 -1.97 -0.07 0.00 -1.84 0.00 0.00 35.03 31.47 1jtb n LYS 52 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1jtb h GLY 53 N 0.00 -0.45 -0.75 0.72 0.00 -0.70 -0.78 103.07 101.12 1jtb h GLY 53 Ca 0.31 0.17 0.15 0.00 0.00 0.00 0.00 47.33 47.96 1jtb h GLY 53 CO -0.86 -0.16 -0.29 1.19 0.00 0.00 0.00 176.54 176.42 1jtb h ILE 54 N -0.91 0.10 -0.89 2.60 6.09 0.73 1.63 117.51 126.85 1jtb h ILE 54 Ca -0.04 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.47 1jtb h ILE 54 Cb 0.52 0.10 -0.05 0.00 0.47 0.00 0.00 36.82 37.86 1jtb h ILE 54 CO 0.07 0.00 0.59 0.00 -3.07 0.00 0.00 178.15 175.74 1jtb h ALA 55 N 1.55 1.41 0.00 0.18 0.00 -0.81 0.52 119.26 122.11 1jtb h ALA 55 Ca 0.36 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1jtb h ALA 55 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jtb h ALA 55 CO -0.88 0.52 -0.38 -0.09 0.00 0.00 0.00 179.25 178.42 1jtb h ARG 56 N 1.15 0.00 0.11 0.00 9.65 0.35 -3.32 114.38 122.32 1jtb h ARG 56 Ca 0.34 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.89 1jtb h ARG 56 Cb -0.04 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1jtb h ARG 56 CO -0.09 0.38 -1.80 0.78 2.80 0.00 0.00 179.97 182.03 1jtb h GLY 57 N 2.56 0.26 0.00 2.80 0.00 0.14 -3.46 103.07 105.37 1jtb h GLY 57 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1jtb h GLY 57 CO 0.05 0.58 0.00 1.39 0.00 0.00 0.00 176.54 178.56 1jtb n ILE 58 N -3.40 0.00 -3.54 2.60 5.41 0.08 -5.09 119.36 115.42 1jtb n ILE 58 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1jtb n ILE 58 Cb 1.05 -0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.90 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 -2.03 1.39 8.25 -1.26 -5.00 115.22 116.58 1jtb n HIS 59 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 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 0.09 0.64 0.00 0.00 176.34 177.07 1jtb n ASN 60 N -1.24 7.47 -0.27 0.41 4.13 -1.26 -4.77 115.26 119.73 1jtb n ASN 60 Ca 0.00 -3.11 -0.03 0.00 1.68 0.00 0.00 54.58 53.13 1jtb n ASN 60 Cb 0.00 -1.40 -0.00 0.00 -1.54 0.00 0.00 39.78 36.84 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 2.26 -0.15 -2.86 3.41 7.94 -1.26 -4.82 117.00 121.53 1jtb n LEU 61 Ca 0.59 0.06 -0.31 0.00 -1.11 0.00 0.00 56.01 55.23 1jtb n LEU 61 Cb 0.27 -0.06 -0.05 0.00 0.53 0.00 0.00 43.42 44.11 1jtb n LEU 61 CO 0.72 -0.24 2.06 -3.20 -1.11 0.00 0.00 177.39 175.62 1jtb n ASN 62 N 0.14 7.10 0.03 1.96 4.05 -1.20 -4.59 115.26 122.76 1jtb n ASN 62 Ca 0.01 -3.03 0.22 0.00 0.45 0.00 0.00 54.58 52.23 1jtb n ASN 62 Cb 0.02 -1.33 0.73 0.00 1.23 0.00 0.00 39.78 40.43 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1jtb h LEU 63 N 4.95 0.00 -0.92 1.20 3.38 -1.87 0.18 115.31 122.23 1jtb h LEU 63 Ca 0.53 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.74 1jtb h LEU 63 Cb 0.63 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.25 1jtb h LEU 63 CO 1.09 0.00 0.40 0.78 0.09 0.00 0.00 178.44 180.80 1jtb h ASN 64 N 0.00 0.31 -0.17 -0.43 4.21 -1.89 0.71 115.58 118.32 1jtb h ASN 64 Ca 0.24 0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.89 1jtb h ASN 64 Cb 1.21 0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.56 1jtb h ASN 64 CO -0.00 -0.05 -0.03 -0.55 -1.29 0.00 0.00 177.43 175.50 1jtb h ASN 65 N 0.35 0.32 -0.42 5.81 -1.07 -1.03 -2.82 115.58 116.72 1jtb h ASN 65 Ca 0.59 -0.36 0.08 0.00 0.07 0.00 0.00 56.30 56.68 1jtb h ASN 65 Cb 1.19 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 37.29 1jtb h ASN 65 CO -0.57 0.60 0.02 0.00 0.07 0.00 0.00 177.43 177.55 1jtb h ALA 66 N 0.72 0.40 0.00 4.14 0.00 0.24 0.42 119.26 125.19 1jtb h ALA 66 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jtb h ALA 66 Cb 0.46 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jtb h ALA 66 CO 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 179.25 178.93 1jtb h ALA 67 N 1.36 1.04 0.00 0.00 0.00 -0.38 0.40 119.26 121.67 1jtb h ALA 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jtb h ALA 67 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jtb h ALA 67 CO -0.33 -0.04 -1.05 0.45 0.00 0.00 0.00 179.25 178.29 1jtb n SER 68 N -2.72 0.77 0.13 0.00 2.88 0.14 -4.20 113.62 110.63 1jtb n SER 68 Ca -0.02 0.27 -0.14 0.00 -1.33 0.00 0.00 58.87 57.65 1jtb n SER 68 Cb 0.09 0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 0.84 -0.98 2.46 1.08 0.67 -0.46 117.51 121.11 1jtb h ILE 69 Ca 0.00 -0.28 0.28 0.00 -0.39 0.00 0.00 64.86 64.47 1jtb h ILE 69 Cb 0.97 1.00 -0.18 0.00 -3.07 0.00 0.00 36.82 35.55 1jtb h ILE 69 CO 0.00 0.06 0.09 -0.65 -0.69 0.00 0.00 178.15 176.96 1jtb h PRO 70 N -0.43 0.02 0.00 2.37 0.11 -1.73 0.20 132.00 132.54 1jtb h PRO 70 Ca -0.03 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 1jtb h PRO 70 Cb 0.33 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 1jtb h PRO 70 CO 0.05 0.01 -0.62 0.77 -0.21 0.00 0.00 178.00 178.01 1jtb h SER 71 N 0.02 0.54 -0.51 -2.05 0.02 -1.72 -0.10 113.55 109.76 1jtb h SER 71 Ca 0.62 -0.76 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1jtb h SER 71 Cb 1.32 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1jtb h SER 71 CO -0.89 1.23 0.19 0.50 -1.14 0.00 0.00 176.83 176.73 1jtb h LYS 72 N -0.10 0.82 0.08 3.45 3.64 0.48 -3.34 116.57 121.60 1jtb h LYS 72 Ca -0.08 -0.14 -0.35 0.00 -1.27 0.00 0.00 60.65 58.82 1jtb h LYS 72 Cb 1.33 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1jtb h LYS 72 CO 0.12 0.70 -1.95 0.00 -2.27 0.00 0.00 179.45 176.05 1jtb n ASN 74 N -3.34 0.00 -2.95 0.00 5.15 -0.68 -4.88 115.26 108.57 1jtb n ASN 74 Ca -0.29 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.56 1jtb n ASN 74 Cb 1.05 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 40.31 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 0.00 0.15 -1.46 3.44 3.14 -0.14 -4.91 118.33 118.56 1jtb n VAL 75 Ca 0.00 -3.49 -0.41 0.00 -2.96 0.00 0.00 64.34 57.49 1jtb n VAL 75 Cb 0.00 0.34 -0.02 0.00 -1.06 0.00 0.00 33.84 33.10 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 0.14 4.28 -4.90 6.55 6.94 -1.17 -4.35 115.26 122.75 1jtb n ASN 76 Ca 0.16 -2.73 -0.32 0.00 -0.02 0.00 0.00 54.58 51.67 1jtb n ASN 76 Cb 0.72 -1.47 -0.05 0.00 -2.36 0.00 0.00 39.78 36.63 1jtb n ASN 76 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1jtb s VAL 77 N 3.53 5.31 0.00 3.53 0.11 -1.26 -5.02 120.40 126.59 1jtb s VAL 77 Ca 0.52 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1jtb s VAL 77 Cb 0.14 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 1jtb s VAL 77 CO -0.03 0.20 0.23 -2.65 -3.33 0.00 0.00 175.10 169.51 1jtb n PRO 78 N 0.54 0.00 -3.35 1.54 -0.02 -1.26 -4.73 135.00 127.72 1jtb n PRO 78 Ca -0.07 -0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.09 1jtb n PRO 78 Cb 0.52 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 1jtb n PRO 78 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1jtb n TYR 79 N 3.07 0.05 0.00 6.00 9.36 -1.26 -3.24 117.16 131.14 1jtb n TYR 79 Ca 0.01 -3.57 0.00 0.00 3.32 0.00 0.00 57.90 57.66 1jtb n TYR 79 Cb 0.06 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.63 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 1.99 0.00 -3.98 2.97 -1.04 -1.26 -4.79 114.28 108.15 1jtb n THR 80 Ca 0.25 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.93 1jtb n THR 80 Cb 0.48 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 -1.73 -4.60 12.58 2.08 -1.26 -4.97 119.36 121.46 1jtb n ILE 81 Ca 0.00 -0.43 -0.25 0.00 0.56 0.00 0.00 62.75 62.63 1jtb n ILE 81 Cb 0.00 -1.49 -0.14 0.00 -0.75 0.00 0.00 39.64 37.26 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 -3.92 2.35 0.00 4.38 0.01 -1.26 -4.78 113.70 110.47 1jtb s SER 82 Ca 0.30 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1jtb s SER 82 Cb -0.17 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1jtb s SER 82 CO 0.75 0.14 0.00 -2.65 0.41 0.00 0.00 173.24 171.89 1jtb n PRO 83 N 1.87 0.00 -2.88 12.44 -0.02 -1.26 0.08 135.00 145.23 1jtb n PRO 83 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.09 1jtb n PRO 83 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.00 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 -2.58 3.05 0.00 2.55 2.03 -1.26 -4.90 116.55 115.43 1jtb n ASP 84 Ca 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.95 1jtb n ASP 84 Cb 0.00 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 -0.12 0.00 0.13 5.18 3.06 0.11 -4.89 119.36 122.83 1jtb n ILE 85 Ca 0.28 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.46 1jtb n ILE 85 Cb 0.58 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.72 1jtb n ILE 85 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1jtb h ASP 86 N 0.00 -0.52 0.00 9.51 5.19 -1.99 -3.46 116.42 125.15 1jtb h ASP 86 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1jtb h ASP 86 Cb 0.00 0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1jtb h ASP 86 CO 0.00 -0.26 0.00 0.00 -3.12 0.00 0.00 179.24 175.86 1jtb n SER 88 N 0.00 0.85 -2.72 0.00 2.88 -1.26 -4.49 113.62 108.87 1jtb n SER 88 Ca 0.00 -0.73 -0.24 0.00 -1.33 0.00 0.00 58.87 56.57 1jtb n SER 88 Cb 0.00 0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 64.12 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 -1.43 2.84 -4.40 -1.46 1.85 -1.26 -5.08 116.66 107.72 1jtb n ARG 89 Ca 0.05 -4.36 -0.26 0.00 -1.00 0.00 0.00 57.85 52.28 1jtb n ARG 89 Cb 0.34 -2.06 -0.13 0.00 -1.05 0.00 0.00 32.46 29.55 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 -4.57 1.87 0.00 8.89 1.01 -1.26 -4.49 121.20 122.64 1jtb s ILE 90 Ca 0.45 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1jtb s ILE 90 Cb 0.36 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1jtb s ILE 90 CO -0.13 0.04 0.00 -1.22 0.00 0.00 0.00 174.94 173.63