#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtg n GLY 2 N 0.00 -2.82 0.42 0.00 0.00 -1.26 -5.01 105.19 96.52 1jtg n GLY 2 Ca 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 1jtg n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jtg n VAL 3 N -1.54 0.00 -2.34 1.61 0.24 -1.26 -4.92 118.33 110.12 1jtg n VAL 3 Ca -0.00 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.34 61.82 1jtg n VAL 3 Cb 0.01 -1.57 -0.03 0.00 -1.47 0.00 0.00 33.84 30.79 1jtg n VAL 3 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1jtg s MET 4 N -3.31 4.36 0.16 7.34 0.00 -0.76 -4.96 119.30 122.13 1jtg s MET 4 Ca 0.08 1.88 -0.00 0.00 0.00 0.00 0.00 55.69 57.65 1jtg s MET 4 Cb -0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 34.83 31.83 1jtg s MET 4 CO 0.06 -0.07 0.06 0.95 0.00 0.00 0.00 175.02 176.02 1jtg s THR 5 N -1.28 0.22 0.30 10.11 -4.23 -1.26 -4.20 115.64 115.30 1jtg s THR 5 Ca 0.50 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1jtg s THR 5 Cb -0.32 -2.18 0.27 0.00 1.34 0.00 0.00 72.50 71.60 1jtg s THR 5 CO 0.42 -0.35 1.96 1.23 -0.54 0.00 0.00 174.62 177.33 1jtg h GLY 6 N 2.76 1.19 1.02 3.99 0.00 -1.95 -1.60 103.07 108.48 1jtg h GLY 6 Ca -0.36 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 1jtg h GLY 6 CO 0.59 0.40 0.42 0.00 0.00 0.00 0.00 176.54 177.95 1jtg h ALA 7 N 1.49 1.03 -0.49 3.60 0.00 -1.97 -1.33 119.26 121.60 1jtg h ALA 7 Ca 0.32 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1jtg h ALA 7 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1jtg h ALA 7 CO -0.08 0.57 -0.16 0.87 0.00 0.00 0.00 179.25 180.44 1jtg h LYS 8 N 1.13 0.95 -0.99 0.00 1.57 -1.80 -2.06 116.57 115.37 1jtg h LYS 8 Ca 0.28 -0.37 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1jtg h LYS 8 Cb 0.07 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1jtg h LYS 8 CO -0.04 1.04 0.64 0.35 -0.57 0.00 0.00 179.45 180.87 1jtg h PHE 9 N 0.83 1.19 -0.13 -1.35 3.57 -0.78 -1.92 116.94 118.35 1jtg h PHE 9 Ca 0.12 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 1jtg h PHE 9 Cb 0.72 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1jtg h PHE 9 CO 0.04 0.64 -0.59 1.15 -2.23 0.00 0.00 178.31 177.33 1jtg h THR 10 N 1.19 1.35 0.00 4.41 2.02 -1.02 -3.04 112.91 117.82 1jtg h THR 10 Ca 0.41 -1.89 -0.07 0.00 0.77 0.00 0.00 66.41 65.63 1jtg h THR 10 Cb 0.11 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1jtg h THR 10 CO -0.15 0.57 -0.35 1.56 0.37 0.00 0.00 175.52 177.52 1jtg h GLN 11 N 0.31 0.00 -6.64 6.66 4.20 -0.64 -3.43 115.11 115.57 1jtg h GLN 11 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1jtg h GLN 11 Cb 1.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.91 1jtg h GLN 11 CO 0.10 0.35 0.54 0.42 -0.67 0.00 0.00 178.83 179.58 1jtg s ILE 12 N -4.13 3.69 0.12 2.54 1.01 -0.91 -5.02 121.20 118.50 1jtg s ILE 12 Ca -0.02 1.40 0.10 0.00 0.00 0.00 0.00 60.65 62.12 1jtg s ILE 12 Cb 0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1jtg s ILE 12 CO 0.71 0.21 -0.21 -1.10 0.00 0.00 0.00 174.94 174.55 1jtg s GLN 13 N -0.08 1.67 0.49 2.79 -1.52 -1.26 -5.00 119.66 116.74 1jtg s GLN 13 Ca 0.53 -1.23 -0.24 0.00 -1.95 0.00 0.00 55.36 52.47 1jtg s GLN 13 Cb -0.32 -2.05 -0.07 0.00 -0.22 0.00 0.00 33.01 30.36 1jtg s GLN 13 CO 0.35 0.47 1.38 1.19 -0.25 0.00 0.00 175.29 178.44 1jtg n PHE 14 N 0.83 2.46 -0.12 0.91 3.01 -1.26 -1.84 117.46 121.45 1jtg n PHE 14 Ca -0.16 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1jtg n PHE 14 Cb 0.53 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.59 1jtg n PHE 14 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jtg n GLY 15 N 0.68 1.28 3.80 1.37 0.00 -0.04 -4.90 105.19 107.39 1jtg n GLY 15 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1jtg n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jtg s MET 16 N -0.52 3.20 0.64 1.61 -1.94 -0.77 -4.48 119.30 117.06 1jtg s MET 16 Ca 0.00 1.18 -0.05 0.00 -1.71 0.00 0.00 55.69 55.11 1jtg s MET 16 Cb 0.00 -2.02 0.04 0.00 2.01 0.00 0.00 34.83 34.87 1jtg s MET 16 CO 0.00 -0.90 0.94 0.95 -0.01 0.00 0.00 175.02 175.99 1jtg s THR 17 N -2.55 2.70 0.21 2.05 -4.23 -1.26 -0.67 115.64 111.88 1jtg s THR 17 Ca 0.63 -0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.76 1jtg s THR 17 Cb -0.16 -3.11 0.15 0.00 1.34 0.00 0.00 72.50 70.71 1jtg s THR 17 CO 0.40 -0.11 1.76 0.03 -0.54 0.00 0.00 174.62 176.16 1jtg h ARG 18 N -0.36 0.48 -0.71 3.99 3.08 -1.76 -1.89 114.38 117.22 1jtg h ARG 18 Ca -0.44 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1jtg h ARG 18 Cb 1.30 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1jtg h ARG 18 CO 0.59 0.32 0.40 0.37 -1.07 0.00 0.00 179.97 180.58 1jtg h GLN 19 N 0.50 0.99 -0.75 0.04 5.75 -1.94 -1.39 115.11 118.31 1jtg h GLN 19 Ca 0.31 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1jtg h GLN 19 Cb 0.34 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1jtg h GLN 19 CO -0.27 0.72 0.44 1.96 -2.65 0.00 0.00 178.83 179.04 1jtg h GLN 20 N 0.98 1.02 0.09 1.69 4.20 -1.78 0.11 115.11 121.42 1jtg h GLN 20 Ca 0.25 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jtg h GLN 20 Cb 0.02 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1jtg h GLN 20 CO -0.04 0.73 -0.04 0.28 -0.67 0.00 0.00 178.83 179.08 1jtg h VAL 21 N 1.02 0.94 -0.66 -0.54 2.07 -1.02 -1.89 116.25 116.17 1jtg h VAL 21 Ca 0.27 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1jtg h VAL 21 Cb -0.02 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1jtg h VAL 21 CO -0.05 0.02 0.43 -0.07 0.02 0.00 0.00 177.57 177.92 1jtg h LEU 22 N -0.16 0.77 -0.70 2.57 3.38 -0.92 0.16 115.31 120.40 1jtg h LEU 22 Ca -0.01 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jtg h LEU 22 Cb 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1jtg h LEU 22 CO 0.02 0.57 0.42 0.44 0.09 0.00 0.00 178.44 179.99 1jtg h ASP 23 N 0.90 0.67 -0.06 -0.43 3.45 -0.65 0.50 116.42 120.81 1jtg h ASP 23 Ca 0.24 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.60 1jtg h ASP 23 Cb -0.08 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 38.56 1jtg h ASP 23 CO -0.05 0.46 -0.42 0.40 -1.57 0.00 0.00 179.24 178.06 1jtg h ILE 24 N 0.81 1.42 -0.04 0.35 2.04 -0.76 -3.34 117.51 117.99 1jtg h ILE 24 Ca 0.29 -1.84 -0.16 0.00 1.00 0.00 0.00 64.86 64.16 1jtg h ILE 24 Cb 0.08 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1jtg h ILE 24 CO -0.14 0.53 -0.68 0.00 0.00 0.00 0.00 178.15 177.87 1jtg h ALA 25 N 0.40 0.79 0.00 1.87 0.00 -0.61 -3.48 119.26 118.23 1jtg h ALA 25 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1jtg h ALA 25 Cb 1.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jtg h ALA 25 CO 0.09 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1jtg n GLY 26 N 0.43 0.51 0.46 0.00 0.00 0.15 -4.55 105.19 102.19 1jtg n GLY 26 Ca -0.02 -0.88 0.28 0.00 0.00 0.00 0.00 46.02 45.39 1jtg n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jtg h ALA 27 N 0.00 2.71 0.00 4.61 0.00 -1.85 -0.26 119.26 124.48 1jtg h ALA 27 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jtg h ALA 27 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jtg h ALA 27 CO 0.00 -1.03 -0.07 1.49 0.00 0.00 0.00 179.25 179.64 1jtg h GLU 28 N 0.13 0.00 -0.01 0.00 4.57 -1.91 -2.35 114.58 115.02 1jtg h GLU 28 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1jtg h GLU 28 Cb 1.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.34 1jtg h GLU 28 CO -0.09 0.07 -0.28 0.09 -1.18 0.00 0.00 179.01 177.63 1jtg n ASN 29 N -3.66 0.85 -4.54 1.04 3.02 -0.11 -4.96 115.26 106.90 1jtg n ASN 29 Ca -0.02 -0.71 -0.24 0.00 -0.03 0.00 0.00 54.58 53.58 1jtg n ASN 29 Cb 0.18 0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.39 1jtg n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jtg s GLU 31 N -3.58 0.70 0.21 0.00 -1.05 0.40 -4.96 118.70 110.41 1jtg s GLU 31 Ca 0.31 -1.14 -0.06 0.00 -0.15 0.00 0.00 54.97 53.93 1jtg s GLU 31 Cb -0.04 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 1jtg s GLU 31 CO 0.17 -0.17 0.25 -0.08 0.95 0.00 0.00 175.26 176.38 1jtg s THR 32 N -3.91 0.01 0.00 1.83 -1.32 -1.26 -0.79 115.64 110.20 1jtg s THR 32 Ca 0.07 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1jtg s THR 32 Cb 0.07 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 1jtg s THR 32 CO -0.10 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1jtg n GLY 33 N -0.29 -2.01 7.00 6.08 0.00 0.19 -4.90 105.19 111.26 1jtg n GLY 33 Ca -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1jtg n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtg n GLY 34 N -0.07 3.07 0.20 -0.02 0.00 -1.26 -1.10 105.19 106.01 1jtg n GLY 34 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1jtg n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jtg h SER 35 N 2.50 0.00 -0.25 1.61 0.02 -2.02 -2.83 113.55 112.58 1jtg h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jtg h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jtg h SER 35 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1jtg n PHE 36 N -2.50 0.31 -0.70 3.45 3.01 -0.25 -5.05 117.46 115.73 1jtg n PHE 36 Ca -0.01 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1jtg n PHE 36 Cb 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1jtg n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jtg n GLY 37 N 1.32 3.34 1.33 1.37 0.00 -1.07 -1.65 105.19 109.83 1jtg n GLY 37 Ca 0.16 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1jtg n GLY 37 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jtg n ASP 38 N 3.75 3.92 -4.90 1.61 3.85 -1.26 0.55 116.55 124.06 1jtg n ASP 38 Ca 0.00 -2.27 -0.29 0.00 -0.71 0.00 0.00 54.79 51.53 1jtg n ASP 38 Cb 0.00 -0.50 0.05 0.00 -1.35 0.00 0.00 41.12 39.32 1jtg n ASP 38 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1jtg s SER 39 N -0.88 5.39 -0.18 -1.12 0.01 -0.66 -4.71 113.70 111.55 1jtg s SER 39 Ca 0.43 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.62 1jtg s SER 39 Cb 0.26 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1jtg s SER 39 CO 0.23 -1.31 -0.14 -0.63 0.41 0.00 0.00 173.24 171.81 1jtg s ILE 40 N -3.25 2.66 -0.19 1.44 1.01 -0.10 -4.25 121.20 118.50 1jtg s ILE 40 Ca 0.57 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1jtg s ILE 40 Cb -0.11 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1jtg s ILE 40 CO 0.49 0.50 -0.05 -2.28 0.00 0.00 0.00 174.94 173.60 1jtg s HIS 41 N 1.11 2.95 -0.08 3.97 5.65 0.03 -0.31 115.29 128.61 1jtg s HIS 41 Ca 0.00 -0.73 0.05 0.00 0.25 0.00 0.00 55.06 54.63 1jtg s HIS 41 Cb -0.14 -2.04 -0.00 0.00 -1.18 0.00 0.00 32.58 29.21 1jtg s HIS 41 CO -0.05 -0.38 -0.23 0.00 -0.65 0.00 0.00 174.74 173.43 1jtg s ARG 43 N 0.17 3.74 0.00 0.00 0.52 0.77 -1.22 118.95 122.93 1jtg s ARG 43 Ca -0.13 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1jtg s ARG 43 Cb -0.16 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1jtg s ARG 43 CO 0.06 0.66 0.00 0.41 0.02 0.00 0.00 175.30 176.46 1jtg n GLY 44 N 1.47 2.40 3.78 -3.53 0.00 0.93 -1.82 105.19 108.42 1jtg n GLY 44 Ca -0.13 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 1jtg n GLY 44 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jtg s HIS 45 N 3.88 2.66 0.52 1.61 0.00 -1.26 -4.60 115.29 118.11 1jtg s HIS 45 Ca 0.00 1.54 -0.22 0.00 -3.00 0.00 0.00 55.06 53.37 1jtg s HIS 45 Cb 0.00 -3.05 -0.06 0.00 -4.00 0.00 0.00 32.58 25.47 1jtg s HIS 45 CO 0.00 -1.69 1.35 0.00 -1.00 0.00 0.00 174.74 173.40 1jtg s ALA 46 N -2.79 2.89 -0.24 -1.38 0.00 -1.26 -1.01 121.76 117.98 1jtg s ALA 46 Ca 0.62 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.76 1jtg s ALA 46 Cb -0.17 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.47 1jtg s ALA 46 CO 0.52 -1.28 0.59 0.00 0.00 0.00 0.00 175.76 175.60 1jtg s ALA 47 N -1.31 -1.59 0.00 0.00 0.00 -0.66 -4.70 121.76 113.51 1jtg s ALA 47 Ca 0.69 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.77 1jtg s ALA 47 Cb -0.40 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1jtg s ALA 47 CO 0.48 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1jtg n GLY 48 N 4.30 3.34 1.60 0.00 0.00 -0.44 -0.68 105.19 113.30 1jtg n GLY 48 Ca -0.21 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1jtg n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jtg n ASP 49 N 3.82 4.97 0.00 1.61 2.03 -1.26 -4.92 116.55 122.80 1jtg n ASP 49 Ca 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.66 1jtg n ASP 49 Cb 0.00 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1jtg n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jtg n TYR 50 N 0.79 0.00 -3.81 -0.67 9.36 0.14 -5.19 117.16 117.79 1jtg n TYR 50 Ca 0.26 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.38 1jtg n TYR 50 Cb 0.98 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.64 1jtg n TYR 50 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1jtg s TYR 51 N 3.36 0.08 0.57 2.98 1.51 -1.21 -1.65 117.35 122.99 1jtg s TYR 51 Ca 0.00 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.45 1jtg s TYR 51 Cb 0.00 0.13 -0.05 0.00 -0.11 0.00 0.00 41.96 41.93 1jtg s TYR 51 CO 0.00 -0.72 1.06 0.00 -1.11 0.00 0.00 175.55 174.77 1jtg s ALA 52 N -3.88 2.76 0.20 3.71 0.00 -0.18 -4.73 121.76 119.64 1jtg s ALA 52 Ca 0.09 0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 1jtg s ALA 52 Cb 0.02 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.95 1jtg s ALA 52 CO -0.06 -0.71 0.88 1.52 0.00 0.00 0.00 175.76 177.40 1jtg s TYR 53 N -2.30 -0.14 0.04 0.00 -0.85 -0.59 -0.05 117.35 113.45 1jtg s TYR 53 Ca 0.65 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 57.01 1jtg s TYR 53 Cb -0.17 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1jtg s TYR 53 CO 0.33 -0.97 -0.09 0.00 -1.52 0.00 0.00 175.55 173.30 1jtg s ALA 54 N -3.46 0.67 -0.06 9.51 0.00 -0.36 -1.67 121.76 126.39 1jtg s ALA 54 Ca 0.12 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1jtg s ALA 54 Cb -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1jtg s ALA 54 CO 0.04 0.05 -0.11 0.99 0.00 0.00 0.00 175.76 176.72 1jtg s THR 55 N -1.09 1.05 -0.17 0.00 2.01 0.08 -0.28 115.64 117.24 1jtg s THR 55 Ca -0.06 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1jtg s THR 55 Cb -0.08 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1jtg s THR 55 CO 0.01 0.34 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.81 1jtg s PHE 56 N 0.66 2.87 0.15 4.92 0.08 0.58 -1.22 117.98 126.01 1jtg s PHE 56 Ca -0.14 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.04 1jtg s PHE 56 Cb -0.15 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1jtg s PHE 56 CO 0.03 -0.41 0.33 0.20 -0.10 0.00 0.00 175.22 175.28 1jtg s GLY 57 N 0.89 1.92 0.16 4.36 0.00 -0.34 -0.93 107.32 113.38 1jtg s GLY 57 Ca -0.03 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.93 1jtg s GLY 57 CO 0.00 -0.79 -0.15 -1.36 0.00 0.00 0.00 173.10 170.80 1jtg s PHE 58 N -1.74 1.60 0.45 1.90 0.40 -1.26 -1.15 117.98 118.18 1jtg s PHE 58 Ca 0.37 -0.56 0.24 0.00 -0.60 0.00 0.00 56.93 56.38 1jtg s PHE 58 Cb -0.12 -0.79 1.36 0.00 0.51 0.00 0.00 43.02 43.98 1jtg s PHE 58 CO 0.28 0.26 2.07 1.79 0.70 0.00 0.00 175.22 180.32 1jtg h THR 59 N 3.06 0.73 -2.89 0.64 1.35 -1.36 -3.45 112.91 111.00 1jtg h THR 59 Ca -0.40 -0.50 0.03 0.00 -0.55 0.00 0.00 66.41 64.99 1jtg h THR 59 Cb 1.21 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1jtg h THR 59 CO 0.56 0.12 0.34 -0.94 -0.25 0.00 0.00 175.52 175.35 1jtg s SER 60 N -6.41 -0.02 0.00 5.36 1.04 -1.26 -4.99 113.70 107.42 1jtg s SER 60 Ca -0.03 -1.00 0.29 0.00 0.48 0.00 0.00 55.95 55.69 1jtg s SER 60 Cb 0.14 0.76 1.32 0.00 0.10 0.00 0.00 66.02 68.35 1jtg s SER 60 CO 0.61 -1.51 1.95 0.00 0.98 0.00 0.00 173.24 175.27 1jtg n ALA 61 N -0.56 2.50 -1.68 5.32 0.00 -1.26 -4.68 120.51 120.15 1jtg n ALA 61 Ca -0.07 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 1jtg n ALA 61 Cb 0.60 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.67 1jtg n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jtg n ALA 62 N -1.36 0.80 0.33 0.00 0.00 -1.26 -4.87 120.51 114.15 1jtg n ALA 62 Ca 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1jtg n ALA 62 Cb 0.29 -2.26 0.50 0.00 0.00 0.00 0.00 19.45 17.99 1jtg n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jtg n ALA 63 N -1.92 1.47 -1.46 0.00 0.00 -1.26 -1.63 120.51 115.71 1jtg n ALA 63 Ca 0.15 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 1jtg n ALA 63 Cb 0.48 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.77 1jtg n ALA 63 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jtg n ASP 64 N -2.20 2.46 -4.82 0.00 3.85 -1.26 -4.35 116.55 110.22 1jtg n ASP 64 Ca 0.01 -3.80 -0.31 0.00 -0.71 0.00 0.00 54.79 49.99 1jtg n ASP 64 Cb 0.17 -0.64 0.05 0.00 -1.35 0.00 0.00 41.12 39.35 1jtg n ASP 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jtg s ALA 65 N -3.26 2.64 0.17 2.12 0.00 -0.64 -4.98 121.76 117.80 1jtg s ALA 65 Ca 0.45 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.53 1jtg s ALA 65 Cb 0.41 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1jtg s ALA 65 CO -0.00 -1.27 -0.21 0.15 0.00 0.00 0.00 175.76 174.42 1jtg s LYS 66 N -5.08 1.64 0.04 0.00 1.02 -1.26 -3.77 119.74 112.32 1jtg s LYS 66 Ca 0.58 -1.39 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 1jtg s LYS 66 Cb -0.14 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 1jtg s LYS 66 CO 0.55 0.43 1.59 0.08 -0.92 0.00 0.00 175.35 177.08 1jtg s VAL 67 N -1.47 3.28 0.00 3.17 1.01 0.15 -0.90 120.40 125.64 1jtg s VAL 67 Ca 0.20 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1jtg s VAL 67 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1jtg s VAL 67 CO 0.10 -0.01 0.51 -0.90 0.00 0.00 0.00 175.10 174.80 1jtg n ASP 68 N 5.74 1.01 -3.66 3.32 5.68 -0.30 -0.86 116.55 127.48 1jtg n ASP 68 Ca 0.15 -1.11 -0.14 0.00 -0.50 0.00 0.00 54.79 53.20 1jtg n ASP 68 Cb 0.42 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.32 1jtg n ASP 68 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jtg s SER 69 N -0.11 -0.65 -0.06 -1.12 1.04 -1.18 -1.04 113.70 110.59 1jtg s SER 69 Ca 0.00 1.22 0.02 0.00 0.48 0.00 0.00 55.95 57.67 1jtg s SER 69 Cb 0.00 1.23 0.01 0.00 0.10 0.00 0.00 66.02 67.37 1jtg s SER 69 CO 0.00 -0.24 -0.10 -0.54 0.98 0.00 0.00 173.24 173.34 1jtg s LYS 70 N 0.24 1.46 0.03 4.02 1.02 -0.44 -1.20 119.74 124.88 1jtg s LYS 70 Ca -0.01 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.67 1jtg s LYS 70 Cb -0.04 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1jtg s LYS 70 CO 0.01 0.01 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.25 1jtg s SER 71 N 0.68 0.89 -0.01 2.83 0.01 -0.36 -1.00 113.70 116.75 1jtg s SER 71 Ca -0.13 -0.46 -0.24 0.00 1.31 0.00 0.00 55.95 56.43 1jtg s SER 71 Cb -0.15 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.13 1jtg s SER 71 CO 0.03 -0.13 0.52 0.00 0.41 0.00 0.00 173.24 174.07 1jtg s GLN 72 N -1.27 0.93 -0.05 12.44 1.03 0.13 -0.74 119.66 132.12 1jtg s GLN 72 Ca -0.07 -0.02 0.02 0.00 0.04 0.00 0.00 55.36 55.33 1jtg s GLN 72 Cb -0.08 0.43 0.02 0.00 0.03 0.00 0.00 33.01 33.40 1jtg s GLN 72 CO 0.00 -0.30 -0.09 -1.21 -2.54 0.00 0.00 175.29 171.16 1jtg s GLU 73 N -1.58 1.31 -1.35 9.60 2.02 -0.67 -4.61 118.70 123.42 1jtg s GLU 73 Ca -0.10 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1jtg s GLU 73 Cb -0.02 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 33.07 1jtg s GLU 73 CO 0.05 -0.00 0.00 1.63 0.02 0.00 0.00 175.26 176.96 1jtg n LYS 74 N 3.85 -1.07 -0.11 1.61 5.02 -1.26 -1.55 118.16 124.66 1jtg n LYS 74 Ca -0.24 0.93 -0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1jtg n LYS 74 Cb 0.52 -5.04 -0.15 0.00 -0.02 0.00 0.00 35.03 30.34 1jtg n LYS 74 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jtg n LEU 75 N -1.44 1.08 -4.69 -0.35 4.77 -1.26 -4.80 117.00 110.31 1jtg n LEU 75 Ca -0.13 -0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.47 1jtg n LEU 75 Cb 0.46 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1jtg n LEU 75 CO 0.19 0.65 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.86 1jtg s LEU 76 N -5.88 3.70 0.02 2.23 1.43 -1.26 -3.45 118.68 115.46 1jtg s LEU 76 Ca -0.18 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1jtg s LEU 76 Cb 0.07 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1jtg s LEU 76 CO 0.75 0.33 -0.01 0.00 0.23 0.00 0.00 176.35 177.65 1jtg s ALA 77 N -0.60 3.23 0.48 4.21 0.00 -1.26 -4.98 121.76 122.85 1jtg s ALA 77 Ca 0.10 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1jtg s ALA 77 Cb -0.12 -1.27 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 1jtg s ALA 77 CO 0.02 0.65 1.14 -1.25 0.00 0.00 0.00 175.76 176.32 1jtg s PRO 78 N -1.67 3.68 0.11 0.00 0.04 -1.26 -4.95 135.00 130.94 1jtg s PRO 78 Ca 0.20 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 1jtg s PRO 78 Cb -0.11 -2.28 -0.13 0.00 0.04 0.00 0.00 34.50 32.01 1jtg s PRO 78 CO 0.11 -0.59 1.29 0.66 0.04 0.00 0.00 177.00 178.50 1jtg h SER 79 N 1.81 0.73 -1.44 6.66 4.64 -1.79 -3.42 113.55 120.74 1jtg h SER 79 Ca -0.49 -0.55 -0.29 0.00 -0.47 0.00 0.00 61.79 59.99 1jtg h SER 79 Cb 1.25 -0.22 -0.23 0.00 -0.31 0.00 0.00 62.40 62.88 1jtg h SER 79 CO 0.59 1.34 -0.64 0.00 -0.87 0.00 0.00 176.83 177.25 1jtg s ALA 80 N -3.42 -1.00 0.09 5.18 0.00 0.05 -5.05 121.76 117.61 1jtg s ALA 80 Ca -0.08 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 50.54 1jtg s ALA 80 Cb 0.08 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1jtg s ALA 80 CO 0.89 -2.16 1.32 -1.25 0.00 0.00 0.00 175.76 174.56 1jtg s PRO 81 N 0.67 4.36 0.00 0.00 0.04 -1.09 -3.43 135.00 135.55 1jtg s PRO 81 Ca 0.30 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jtg s PRO 81 Cb 0.01 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1jtg s PRO 81 CO -0.09 -0.37 0.63 0.25 0.04 0.00 0.00 177.00 177.46 1jtg n THR 82 N 3.95 0.00 -1.80 1.26 -2.24 -1.24 -3.81 114.28 110.40 1jtg n THR 82 Ca 0.11 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 1jtg n THR 82 Cb 0.44 0.82 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1jtg n THR 82 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jtg s LEU 83 N 0.00 3.86 0.17 3.22 2.96 -1.17 -4.86 118.68 122.86 1jtg s LEU 83 Ca 0.00 2.75 -0.03 0.00 -0.22 0.00 0.00 54.13 56.63 1jtg s LEU 83 Cb 0.00 -4.27 -0.03 0.00 0.50 0.00 0.00 46.19 42.39 1jtg s LEU 83 CO 0.00 -1.54 0.15 0.42 -1.32 0.00 0.00 176.35 174.06 1jtg s THR 84 N -1.31 0.05 0.28 3.68 -4.23 -1.26 -4.18 115.64 108.67 1jtg s THR 84 Ca 0.71 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1jtg s THR 84 Cb -0.40 -2.18 0.21 0.00 1.34 0.00 0.00 72.50 71.47 1jtg s THR 84 CO 0.47 -0.24 1.89 0.25 -0.54 0.00 0.00 174.62 176.46 1jtg h LEU 85 N 2.68 0.90 -0.19 4.79 5.85 -1.56 -1.53 115.31 126.25 1jtg h LEU 85 Ca -0.34 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1jtg h LEU 85 Cb 1.23 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1jtg h LEU 85 CO 0.53 0.75 -0.13 0.00 -0.34 0.00 0.00 178.44 179.25 1jtg h ALA 86 N 1.40 0.02 -0.65 1.25 0.00 -1.96 -1.41 119.26 117.91 1jtg h ALA 86 Ca 0.25 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1jtg h ALA 86 Cb 0.07 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1jtg h ALA 86 CO -0.04 -0.56 0.09 0.87 0.00 0.00 0.00 179.25 179.62 1jtg h LYS 87 N -0.12 1.07 -1.00 0.00 1.57 -1.80 -2.71 116.57 113.58 1jtg h LYS 87 Ca 0.11 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1jtg h LYS 87 Cb 0.29 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1jtg h LYS 87 CO -0.27 0.98 0.65 0.35 -0.57 0.00 0.00 179.45 180.60 1jtg h PHE 88 N 1.00 1.23 0.00 -1.35 3.57 -0.85 -2.06 116.94 118.47 1jtg h PHE 88 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1jtg h PHE 88 Cb 0.44 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1jtg h PHE 88 CO 0.03 0.71 0.00 -0.91 -2.23 0.00 0.00 178.31 175.92 1jtg h ASN 89 N 1.27 0.00 1.01 0.41 2.35 -0.95 -2.65 115.58 117.03 1jtg h ASN 89 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1jtg h ASN 89 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1jtg h ASN 89 CO -0.12 0.00 -0.37 0.00 -1.65 0.00 0.00 177.43 175.29 1jtg n GLN 90 N -2.88 0.22 -2.45 0.81 6.02 -0.79 -4.82 117.38 113.49 1jtg n GLN 90 Ca 0.01 0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 1jtg n GLN 90 Cb 0.29 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1jtg n GLN 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jtg s VAL 91 N -3.11 3.91 0.05 5.09 1.01 -1.00 -5.03 120.40 121.31 1jtg s VAL 91 Ca 0.09 1.50 0.06 0.00 0.00 0.00 0.00 61.98 63.63 1jtg s VAL 91 Cb 0.14 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1jtg s VAL 91 CO 0.66 0.19 -0.16 0.42 0.00 0.00 0.00 175.10 176.21 1jtg s THR 92 N 0.38 1.31 0.40 3.92 -4.23 -1.26 -5.05 115.64 111.12 1jtg s THR 92 Ca 0.54 -1.12 -0.26 0.00 -1.18 0.00 0.00 61.69 59.67 1jtg s THR 92 Cb -0.30 -1.18 -0.10 0.00 1.34 0.00 0.00 72.50 72.26 1jtg s THR 92 CO 0.33 0.04 1.36 0.52 -0.54 0.00 0.00 174.62 176.33 1jtg n VAL 93 N 1.78 2.38 0.00 2.29 0.31 -1.26 -2.32 118.33 121.51 1jtg n VAL 93 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1jtg n VAL 93 Cb 0.54 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1jtg n VAL 93 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jtg n GLY 94 N 0.66 1.00 3.78 2.92 0.00 -0.25 -4.99 105.19 108.32 1jtg n GLY 94 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1jtg n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jtg s MET 95 N -0.98 3.37 0.74 1.61 1.00 -0.98 -4.61 119.30 119.45 1jtg s MET 95 Ca 0.00 1.51 -0.10 0.00 0.00 0.00 0.00 55.69 57.10 1jtg s MET 95 Cb 0.00 -2.02 0.05 0.00 0.00 0.00 0.00 34.83 32.86 1jtg s MET 95 CO 0.00 -0.81 1.10 0.95 0.00 0.00 0.00 175.02 176.25 1jtg s THR 96 N -1.92 2.70 0.24 2.05 -4.23 -1.26 -0.21 115.64 113.00 1jtg s THR 96 Ca 0.70 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.27 1jtg s THR 96 Cb -0.22 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.64 1jtg s THR 96 CO 0.28 -0.25 1.87 -0.09 -0.54 0.00 0.00 174.62 175.89 1jtg h ARG 97 N -0.77 1.03 -0.73 3.99 2.43 -1.89 -0.64 114.38 117.80 1jtg h ARG 97 Ca -0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1jtg h ARG 97 Cb 1.30 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 1jtg h ARG 97 CO 0.64 0.68 0.46 0.00 -1.51 0.00 0.00 179.97 180.24 1jtg h ALA 98 N 1.37 0.93 -0.55 2.80 0.00 -1.92 -1.24 119.26 120.65 1jtg h ALA 98 Ca 0.36 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1jtg h ALA 98 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jtg h ALA 98 CO -0.13 0.37 0.08 1.96 0.00 0.00 0.00 179.25 181.53 1jtg h GLN 99 N 0.99 0.91 -0.41 0.00 4.20 -1.71 -1.45 115.11 117.65 1jtg h GLN 99 Ca 0.26 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1jtg h GLN 99 Cb -0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1jtg h GLN 99 CO -0.05 0.88 0.22 0.28 -0.67 0.00 0.00 178.83 179.49 1jtg h VAL 100 N 0.80 1.15 -0.01 -0.54 2.07 -0.84 -1.95 116.25 116.93 1jtg h VAL 100 Ca 0.17 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1jtg h VAL 100 Cb 0.42 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1jtg h VAL 100 CO 0.01 0.16 -0.31 -0.07 0.02 0.00 0.00 177.57 177.38 1jtg h LEU 101 N 0.53 0.03 -1.05 2.57 3.38 -1.05 0.86 115.31 120.57 1jtg h LEU 101 Ca 0.14 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1jtg h LEU 101 Cb 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jtg h LEU 101 CO -0.02 0.34 -0.27 0.00 0.09 0.00 0.00 178.44 178.57 1jtg h ALA 102 N 1.66 1.20 0.06 1.53 0.00 -0.88 -0.72 119.26 122.11 1jtg h ALA 102 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1jtg h ALA 102 Cb 0.57 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jtg h ALA 102 CO 0.04 0.52 -0.32 1.15 0.00 0.00 0.00 179.25 180.64 1jtg h THR 103 N 0.31 1.68 -0.00 0.00 2.02 -0.44 -3.37 112.91 113.10 1jtg h THR 103 Ca 0.05 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1jtg h THR 103 Cb 0.65 3.31 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1jtg h THR 103 CO 0.05 0.65 -0.41 1.33 0.37 0.00 0.00 175.52 177.50 1jtg n VAL 104 N -4.42 0.00 0.00 3.16 0.24 0.17 -4.86 118.33 112.62 1jtg n VAL 104 Ca -0.11 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1jtg n VAL 104 Cb 0.61 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1jtg n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jtg n GLY 105 N 1.43 2.38 0.33 7.63 0.00 -0.30 -3.49 105.19 113.18 1jtg n GLY 105 Ca 0.08 -1.27 0.19 0.00 0.00 0.00 0.00 46.02 45.02 1jtg n GLY 105 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jtg h GLN 106 N 0.00 0.00 -0.15 1.61 1.08 -1.84 -2.53 115.11 113.27 1jtg h GLN 106 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jtg h GLN 106 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1jtg h GLN 106 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1jtg n GLY 107 N -1.23 4.32 0.03 3.46 0.00 -1.25 -4.63 105.19 105.88 1jtg n GLY 107 Ca -0.02 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1jtg n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jtg n SER 108 N -0.86 0.59 -4.30 1.61 7.64 -0.95 -0.77 113.62 116.58 1jtg n SER 108 Ca 0.18 -0.37 -0.19 0.00 1.01 0.00 0.00 58.87 59.51 1jtg n SER 108 Cb 0.76 0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 64.15 1jtg n SER 108 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jtg s THR 110 N -2.57 1.11 -0.22 0.00 -4.23 0.91 -4.79 115.64 105.84 1jtg s THR 110 Ca 0.17 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.37 1jtg s THR 110 Cb -0.03 -2.07 -0.00 0.00 1.34 0.00 0.00 72.50 71.74 1jtg s THR 110 CO 0.05 -0.56 0.87 -0.89 -0.54 0.00 0.00 174.62 173.55 1jtg s THR 111 N -3.37 4.82 -0.14 3.99 2.01 -1.26 -0.60 115.64 121.08 1jtg s THR 111 Ca 0.22 1.67 -0.16 0.00 0.31 0.00 0.00 61.69 63.72 1jtg s THR 111 Cb 0.04 -4.16 -0.14 0.00 0.01 0.00 0.00 72.50 68.25 1jtg s THR 111 CO 0.04 -0.07 0.31 -0.25 -0.69 0.00 0.00 174.62 173.96 1jtg h TRP 112 N 7.57 0.00 -3.24 4.92 2.91 -0.82 -3.41 115.95 123.87 1jtg h TRP 112 Ca -0.24 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.63 1jtg h TRP 112 Cb 1.09 0.00 -0.23 0.00 -0.51 0.00 0.00 29.16 29.52 1jtg h TRP 112 CO 0.75 0.66 -0.42 -1.54 -1.03 0.00 0.00 178.44 176.86 1jtg s SER 113 N -6.08 -0.15 -0.03 2.65 1.04 -0.90 -0.69 113.70 109.53 1jtg s SER 113 Ca -0.15 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 1jtg s SER 113 Cb 0.00 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1jtg s SER 113 CO 0.41 -0.25 0.03 -0.70 0.98 0.00 0.00 173.24 173.71 1jtg s GLU 114 N -0.64 0.09 -0.01 4.02 2.12 -0.17 -0.26 118.70 123.85 1jtg s GLU 114 Ca -0.07 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1jtg s GLU 114 Cb -0.04 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.90 1jtg s GLU 114 CO 0.02 -0.22 -0.02 -0.47 -0.54 0.00 0.00 175.26 174.02 1jtg s TYR 115 N 1.47 0.28 -0.55 5.30 6.04 -0.40 -1.33 117.35 128.16 1jtg s TYR 115 Ca -0.04 -0.04 -0.02 0.00 0.04 0.00 0.00 57.07 57.01 1jtg s TYR 115 Cb -0.13 -0.23 0.14 0.00 -1.04 0.00 0.00 41.96 40.71 1jtg s TYR 115 CO -0.03 -0.03 0.35 0.71 -1.54 0.00 0.00 175.55 175.01 1jtg s TYR 116 N 0.17 3.44 0.12 4.97 1.51 -0.20 -1.19 117.35 126.17 1jtg s TYR 116 Ca -0.01 -2.71 0.33 0.00 -1.01 0.00 0.00 57.07 53.67 1jtg s TYR 116 Cb -0.04 -3.15 1.63 0.00 -0.11 0.00 0.00 41.96 40.28 1jtg s TYR 116 CO -0.00 -0.87 2.00 -1.00 -1.11 0.00 0.00 175.55 174.57 1jtg h PRO 117 N 7.24 0.00 -0.09 -1.71 0.13 -1.82 -2.38 132.00 133.36 1jtg h PRO 117 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1jtg h PRO 117 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1jtg h PRO 117 CO 0.70 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1jtg n ALA 118 N -1.96 2.47 -1.47 -0.56 0.00 -1.26 -5.06 120.51 112.68 1jtg n ALA 118 Ca -0.01 -2.37 -0.49 0.00 0.00 0.00 0.00 53.44 50.58 1jtg n ALA 118 Cb 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1jtg n ALA 118 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1jtg n TYR 119 N -1.01 0.16 0.41 0.00 4.19 -0.90 -1.09 117.16 118.91 1jtg n TYR 119 Ca 0.16 0.90 0.10 0.00 3.31 0.00 0.00 57.90 62.37 1jtg n TYR 119 Cb 0.69 -2.06 0.42 0.00 0.49 0.00 0.00 39.34 38.87 1jtg n TYR 119 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1jtg n PRO 120 N 1.08 0.12 -2.05 2.98 -0.04 -1.26 -5.08 135.00 130.75 1jtg n PRO 120 Ca 0.16 0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 63.62 1jtg n PRO 120 Cb 0.24 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 31.98 1jtg n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jtg s SER 121 N -3.75 5.88 0.00 3.54 0.15 -0.25 -4.92 113.70 114.34 1jtg s SER 121 Ca 0.05 2.53 0.23 0.00 0.70 0.00 0.00 55.95 59.46 1jtg s SER 121 Cb 0.09 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 62.37 1jtg s SER 121 CO 0.33 -1.13 1.48 0.35 1.20 0.00 0.00 173.24 175.46 1jtg n THR 122 N -0.56 0.22 -2.27 6.45 -2.24 -1.26 -4.39 114.28 110.23 1jtg n THR 122 Ca 0.08 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 1jtg n THR 122 Cb 0.46 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1jtg n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jtg s ALA 123 N -1.78 3.48 0.00 6.98 0.00 -1.26 -2.93 121.76 126.25 1jtg s ALA 123 Ca 0.34 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1jtg s ALA 123 Cb 0.20 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1jtg s ALA 123 CO 0.30 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1jtg n GLY 124 N 1.62 0.72 3.62 0.00 0.00 -1.26 -4.23 105.19 105.67 1jtg n GLY 124 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 1jtg n GLY 124 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jtg n VAL 125 N -2.45 0.21 -4.72 1.61 3.14 -1.15 -4.60 118.33 110.37 1jtg n VAL 125 Ca 0.00 -0.05 -0.33 0.00 -2.96 0.00 0.00 64.34 61.00 1jtg n VAL 125 Cb 0.00 -1.14 -0.13 0.00 -1.06 0.00 0.00 33.84 31.52 1jtg n VAL 125 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1jtg s THR 126 N 0.49 3.36 -0.02 1.55 -4.23 -0.33 -0.73 115.64 115.72 1jtg s THR 126 Ca 0.79 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1jtg s THR 126 Cb -0.82 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 70.66 1jtg s THR 126 CO 0.45 0.56 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.81 1jtg s LEU 127 N -0.35 1.69 -0.10 4.79 2.96 -0.44 -1.27 118.68 125.95 1jtg s LEU 127 Ca 0.04 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1jtg s LEU 127 Cb -0.12 -0.42 -0.00 0.00 0.50 0.00 0.00 46.19 46.15 1jtg s LEU 127 CO 0.02 0.02 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.40 1jtg s SER 128 N 0.35 3.10 0.02 3.68 0.01 0.65 -0.19 113.70 121.32 1jtg s SER 128 Ca -0.05 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.70 1jtg s SER 128 Cb -0.09 -1.40 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 1jtg s SER 128 CO 0.00 0.16 -0.06 -0.76 0.41 0.00 0.00 173.24 172.99 1jtg s LEU 129 N 0.33 3.21 -0.18 2.44 1.43 0.92 -0.18 118.68 126.64 1jtg s LEU 129 Ca -0.19 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1jtg s LEU 129 Cb -0.18 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1jtg s LEU 129 CO 0.09 0.26 -0.01 -0.44 0.23 0.00 0.00 176.35 176.47 1jtg s SER 130 N -1.60 4.83 0.15 2.29 0.01 0.23 -1.75 113.70 117.85 1jtg s SER 130 Ca 0.19 -0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.37 1jtg s SER 130 Cb -0.11 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1jtg s SER 130 CO 0.09 0.11 -0.19 0.00 0.41 0.00 0.00 173.24 173.66 1jtg s PHE 132 N -1.76 0.75 0.89 0.00 0.40 0.89 -0.96 117.98 118.18 1jtg s PHE 132 Ca 0.13 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 55.74 1jtg s PHE 132 Cb -0.07 -0.44 0.19 0.00 0.51 0.00 0.00 43.02 43.21 1jtg s PHE 132 CO 0.06 -0.10 1.22 0.16 0.70 0.00 0.00 175.22 177.26 1jtg s ASP 133 N -1.99 3.41 0.34 1.36 1.47 -0.89 -3.06 116.67 117.30 1jtg s ASP 133 Ca -0.04 -0.05 0.13 0.00 1.18 0.00 0.00 52.55 53.77 1jtg s ASP 133 Cb -0.06 -0.05 1.05 0.00 -0.34 0.00 0.00 42.92 43.52 1jtg s ASP 133 CO -0.01 -2.51 1.63 1.62 0.68 0.00 0.00 175.17 176.58 1jtg h VAL 134 N -1.30 0.22 0.00 2.11 3.04 -1.74 -2.22 116.25 116.36 1jtg h VAL 134 Ca -0.41 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1jtg h VAL 134 Cb 1.24 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1jtg h VAL 134 CO 0.35 0.04 -0.06 -0.90 -1.01 0.00 0.00 177.57 175.99 1jtg n ASP 135 N -5.16 1.85 0.12 3.17 5.75 -1.26 -4.82 116.55 116.20 1jtg n ASP 135 Ca 0.31 -2.56 -0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1jtg n ASP 135 Cb 0.98 -0.26 0.06 0.00 -1.03 0.00 0.00 41.12 40.86 1jtg n ASP 135 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1jtg h GLY 136 N 0.00 0.00 -3.18 6.12 0.00 -1.48 -3.40 103.07 101.12 1jtg h GLY 136 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1jtg h GLY 136 CO 0.00 0.00 0.44 -0.47 0.00 0.00 0.00 176.54 176.51 1jtg s TYR 137 N -3.09 3.40 -0.15 5.60 5.04 -1.26 -0.76 117.35 126.12 1jtg s TYR 137 Ca 0.02 1.67 -0.07 0.00 -2.44 0.00 0.00 57.07 56.25 1jtg s TYR 137 Cb 0.10 -3.19 0.06 0.00 0.35 0.00 0.00 41.96 39.28 1jtg s TYR 137 CO 0.76 -0.59 0.35 0.45 -1.34 0.00 0.00 175.55 175.18 1jtg s SER 138 N -1.29 -0.25 0.00 4.32 0.15 -1.26 -4.86 113.70 110.50 1jtg s SER 138 Ca 0.52 0.77 0.24 0.00 0.70 0.00 0.00 55.95 58.19 1jtg s SER 138 Cb -0.26 0.79 0.38 0.00 -1.71 0.00 0.00 66.02 65.21 1jtg s SER 138 CO 0.33 -0.20 1.33 -1.54 1.20 0.00 0.00 173.24 174.35 1jtg n SER 139 N 4.67 1.20 0.00 5.45 3.41 -1.26 -4.34 113.62 122.74 1jtg n SER 139 Ca -0.18 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1jtg n SER 139 Cb 0.53 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1jtg n SER 139 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jtg n THR 140 N -0.75 0.00 0.00 6.66 -2.24 -1.26 -4.72 114.28 111.97 1jtg n THR 140 Ca 0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1jtg n THR 140 Cb 0.38 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1jtg n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtg n GLY 141 N 0.87 3.39 3.46 3.38 0.00 -1.26 -1.33 105.19 113.70 1jtg n GLY 141 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1jtg n GLY 141 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jtg s PHE 142 N 3.95 2.59 0.66 1.61 0.40 -1.26 -4.44 117.98 121.49 1jtg s PHE 142 Ca 0.00 -0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 1jtg s PHE 142 Cb 0.00 -1.49 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 1jtg s PHE 142 CO 0.00 0.24 1.20 0.71 0.70 0.00 0.00 175.22 178.07 1jtg s TYR 143 N -0.90 2.27 -0.48 0.36 2.02 -1.26 -4.69 117.35 114.67 1jtg s TYR 143 Ca 0.14 1.55 0.08 0.00 -0.37 0.00 0.00 57.07 58.48 1jtg s TYR 143 Cb -0.11 -3.45 0.34 0.00 -0.40 0.00 0.00 41.96 38.35 1jtg s TYR 143 CO 0.05 -2.34 0.83 0.54 -1.57 0.00 0.00 175.55 173.06 1jtg n ARG 144 N -2.16 2.11 0.00 -0.62 1.74 0.06 -4.94 116.66 112.85 1jtg n ARG 144 Ca 0.13 -4.14 0.00 0.00 -0.77 0.00 0.00 57.85 53.07 1jtg n ARG 144 Cb 0.50 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1jtg n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jtg n GLY 145 N 0.09 2.12 3.55 -0.13 0.00 -1.24 -3.74 105.19 105.85 1jtg n GLY 145 Ca 0.28 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1jtg n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtg s SER 146 N 0.00 0.02 0.08 1.61 1.04 -0.66 -2.11 113.70 113.68 1jtg s SER 146 Ca 0.00 -1.02 -0.16 0.00 0.48 0.00 0.00 55.95 55.25 1jtg s SER 146 Cb 0.00 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1jtg s SER 146 CO 0.00 -1.14 0.37 0.00 0.98 0.00 0.00 173.24 173.45 1jtg s ALA 147 N -3.91 -0.86 -0.14 5.32 0.00 -0.14 -1.02 121.76 121.02 1jtg s ALA 147 Ca 0.24 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1jtg s ALA 147 Cb -0.00 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1jtg s ALA 147 CO 0.10 -0.52 -0.19 -1.58 0.00 0.00 0.00 175.76 173.57 1jtg s HIS 148 N -3.08 2.44 -0.09 0.00 2.46 0.07 -1.06 115.29 116.02 1jtg s HIS 148 Ca -0.01 -1.27 0.04 0.00 0.47 0.00 0.00 55.06 54.28 1jtg s HIS 148 Cb 0.01 -1.70 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 1jtg s HIS 148 CO -0.07 -0.62 -0.21 -0.51 -2.47 0.00 0.00 174.74 170.86 1jtg s LEU 149 N 1.03 1.99 0.02 8.88 1.43 -0.72 -1.38 118.68 129.93 1jtg s LEU 149 Ca -0.03 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1jtg s LEU 149 Cb -0.15 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1jtg s LEU 149 CO -0.05 0.13 -0.20 -1.66 0.23 0.00 0.00 176.35 174.80 1jtg s TRP 150 N 0.42 1.75 0.15 0.29 -2.14 -0.93 -0.05 118.94 118.42 1jtg s TRP 150 Ca -0.18 -0.35 0.07 0.00 2.66 0.00 0.00 56.10 58.30 1jtg s TRP 150 Cb -0.17 -1.07 -0.04 0.00 -3.10 0.00 0.00 33.47 29.08 1jtg s TRP 150 CO 0.08 0.04 -0.16 -0.06 -2.66 0.00 0.00 176.95 174.19 1jtg s PHE 151 N -0.66 1.58 -0.06 1.66 0.40 0.73 -0.21 117.98 121.43 1jtg s PHE 151 Ca 0.07 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1jtg s PHE 151 Cb -0.08 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.67 1jtg s PHE 151 CO 0.01 0.23 -0.06 0.99 0.70 0.00 0.00 175.22 177.09 1jtg s THR 152 N -2.23 0.71 -1.56 0.64 2.01 -0.73 -1.33 115.64 113.15 1jtg s THR 152 Ca 0.13 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 1jtg s THR 152 Cb -0.04 -0.71 0.10 0.00 0.01 0.00 0.00 72.50 71.85 1jtg s THR 152 CO 0.05 0.27 0.90 0.47 -0.69 0.00 0.00 174.62 175.62 1jtg n ASP 153 N 4.16 -4.04 -0.01 3.53 8.00 0.09 -1.93 116.55 126.34 1jtg n ASP 153 Ca -0.22 -0.85 -0.00 0.00 0.71 0.00 0.00 54.79 54.43 1jtg n ASP 153 Cb 0.51 -3.59 -0.00 0.00 -0.02 0.00 0.00 41.12 38.02 1jtg n ASP 153 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtg n GLY 154 N -1.63 0.34 3.28 0.44 0.00 -1.26 -5.01 105.19 101.35 1jtg n GLY 154 Ca 0.02 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jtg n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jtg s VAL 155 N -1.67 2.34 0.13 1.61 1.01 -0.81 -2.56 120.40 120.45 1jtg s VAL 155 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 1jtg s VAL 155 Cb 0.00 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 1jtg s VAL 155 CO 0.00 0.56 1.78 -0.22 0.00 0.00 0.00 175.10 177.21 1jtg s LEU 156 N 0.17 4.39 -0.08 3.92 2.96 0.71 -1.78 118.68 128.98 1jtg s LEU 156 Ca -0.12 2.73 0.16 0.00 -0.22 0.00 0.00 54.13 56.68 1jtg s LEU 156 Cb -0.16 -3.57 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 1jtg s LEU 156 CO 0.07 -0.97 0.25 0.00 -1.32 0.00 0.00 176.35 174.37 1jtg n GLN 157 N 5.32 0.87 -3.66 1.98 1.13 0.71 -1.09 117.38 122.64 1jtg n GLN 157 Ca 0.17 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1jtg n GLN 157 Cb 0.38 -1.41 -0.01 0.00 0.11 0.00 0.00 30.24 29.32 1jtg n GLN 157 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jtg s GLY 158 N -4.36 -0.37 0.04 1.08 0.00 -1.13 -4.95 107.32 97.64 1jtg s GLY 158 Ca -0.07 0.55 -0.19 0.00 0.00 0.00 0.00 44.72 45.01 1jtg s GLY 158 CO 0.69 0.21 0.43 -1.59 0.00 0.00 0.00 173.10 172.84 1jtg s LYS 159 N -2.60 0.94 -0.08 2.90 -2.85 -1.26 -2.18 119.74 114.60 1jtg s LYS 159 Ca 0.14 -0.34 -0.19 0.00 -1.00 0.00 0.00 55.97 54.59 1jtg s LYS 159 Cb 0.03 0.42 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 1jtg s LYS 159 CO -0.02 -0.33 0.44 0.50 0.10 0.00 0.00 175.35 176.04 1jtg s ARG 160 N -2.47 0.70 0.11 1.78 3.52 -0.48 -5.00 118.95 117.11 1jtg s ARG 160 Ca -0.05 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.79 1jtg s ARG 160 Cb -0.01 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1jtg s ARG 160 CO -0.02 -0.17 -0.07 1.14 -0.81 0.00 0.00 175.30 175.37 1jtg s GLN 161 N -0.69 0.87 -0.06 5.12 1.03 -1.26 -0.75 119.66 123.91 1jtg s GLN 161 Ca -0.08 -1.33 -0.00 0.00 0.04 0.00 0.00 55.36 53.99 1jtg s GLN 161 Cb -0.03 -0.30 0.03 0.00 0.03 0.00 0.00 33.01 32.73 1jtg s GLN 161 CO 0.04 0.01 -0.02 -1.58 -2.54 0.00 0.00 175.29 171.20 1jtg s TRP 162 N -3.42 0.74 -1.85 9.60 0.51 -0.19 -4.91 118.94 119.42 1jtg s TRP 162 Ca 0.12 -0.21 0.00 0.00 -2.12 0.00 0.00 56.10 53.88 1jtg s TRP 162 Cb 0.04 -0.77 0.00 0.00 -0.81 0.00 0.00 33.47 31.93 1jtg s TRP 162 CO -0.03 -0.28 0.00 -0.25 -0.51 0.00 0.00 176.95 175.87 1jtg n ASP 163 N 4.69 -5.35 -4.86 2.95 8.00 -1.26 -1.66 116.55 119.07 1jtg n ASP 163 Ca -0.15 0.27 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 1jtg n ASP 163 Cb 0.50 -4.46 -0.02 0.00 -0.02 0.00 0.00 41.12 37.12 1jtg n ASP 163 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jtg s LEU 164 N -4.76 3.60 0.00 0.64 1.43 -1.26 -4.18 118.68 114.16 1jtg s LEU 164 Ca 0.00 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1jtg s LEU 164 Cb 0.00 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1jtg s LEU 164 CO 0.00 -0.59 0.11 1.33 0.23 0.00 0.00 176.35 177.43