#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtc n PHE 1 N 0.00 1.18 -2.74 -1.40 7.35 -1.26 -5.03 117.46 115.56 1jtc n PHE 1 Ca 0.00 -1.69 -0.43 0.00 -0.76 0.00 0.00 57.45 54.57 1jtc n PHE 1 Cb 0.00 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 39.55 1jtc n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jtc s ASN 2 N -3.26 6.96 0.05 -2.13 0.01 -1.26 -5.02 114.94 110.28 1jtc s ASN 2 Ca 0.38 1.16 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 1jtc s ASN 2 Cb 0.37 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 1jtc s ASN 2 CO -0.05 -0.67 0.16 -0.76 -1.51 0.00 0.00 177.10 174.27 1jtc s LEU 3 N 3.19 4.19 0.52 0.60 1.43 -1.26 -0.89 118.68 126.46 1jtc s LEU 3 Ca 0.41 0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.64 1jtc s LEU 3 Cb -0.14 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1jtc s LEU 3 CO 0.09 0.20 0.86 -2.16 0.23 0.00 0.00 176.35 175.57 1jtc s PRO 4 N -2.30 3.59 0.73 1.29 0.04 -1.26 -4.61 135.00 132.49 1jtc s PRO 4 Ca 0.31 0.41 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 1jtc s PRO 4 Cb -0.13 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1jtc s PRO 4 CO 0.23 -0.30 1.08 -1.25 0.04 0.00 0.00 177.00 176.81 1jtc s PRO 5 N -4.77 2.62 0.00 0.56 0.04 -1.26 -4.96 135.00 127.23 1jtc s PRO 5 Ca 0.50 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1jtc s PRO 5 Cb -0.10 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1jtc s PRO 5 CO 0.46 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1jtc n GLY 6 N -2.24 1.09 3.47 0.56 0.00 -1.26 -5.11 105.19 101.71 1jtc n GLY 6 Ca 0.07 -2.27 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 1jtc n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtc s ASN 7 N 0.00 0.35 0.00 1.61 2.20 -1.26 -5.06 114.94 112.78 1jtc s ASN 7 Ca 0.00 -1.24 0.20 0.00 -0.94 0.00 0.00 52.86 50.88 1jtc s ASN 7 Cb 0.00 0.57 0.31 0.00 -2.00 0.00 0.00 41.25 40.14 1jtc s ASN 7 CO 0.00 -1.14 1.27 -1.22 -2.94 0.00 0.00 177.10 173.07 1jtc n TYR 8 N -0.43 0.33 -0.21 1.54 4.01 -1.26 -4.66 117.16 116.48 1jtc n TYR 8 Ca 0.00 -0.19 -0.01 0.00 -0.16 0.00 0.00 57.90 57.53 1jtc n TYR 8 Cb 0.63 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.71 1jtc n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jtc h LYS 9 N 3.87 -0.04 -6.46 -0.72 1.79 -1.97 -3.42 116.57 109.62 1jtc h LYS 9 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 1jtc h LYS 9 Cb 0.88 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.40 1jtc h LYS 9 CO 0.00 -0.03 -0.72 0.15 -1.08 0.00 0.00 179.45 177.77 1jtc s LYS 10 N -6.18 2.13 0.91 3.15 1.02 -1.26 -5.05 119.74 114.46 1jtc s LYS 10 Ca -0.14 -1.18 -0.10 0.00 0.02 0.00 0.00 55.97 54.56 1jtc s LYS 10 Cb 0.19 -2.22 0.14 0.00 -0.52 0.00 0.00 37.83 35.42 1jtc s LYS 10 CO 0.73 0.45 1.13 -2.14 -0.92 0.00 0.00 175.35 174.60 1jtc s PRO 11 N -2.70 1.04 0.27 -1.68 0.01 -1.26 -4.75 135.00 125.93 1jtc s PRO 11 Ca 0.24 1.41 -0.07 0.00 0.01 0.00 0.00 61.00 62.60 1jtc s PRO 11 Cb -0.09 -1.74 -0.01 0.00 0.01 0.00 0.00 34.50 32.66 1jtc s PRO 11 CO 0.15 -2.57 0.39 -1.59 0.01 0.00 0.00 177.00 173.40 1jtc s LYS 12 N -4.68 1.58 0.11 5.54 -2.85 0.96 -1.91 119.74 118.49 1jtc s LYS 12 Ca 0.66 -1.50 0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1jtc s LYS 12 Cb -0.22 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1jtc s LYS 12 CO 0.58 -0.63 0.18 -0.51 0.10 0.00 0.00 175.35 175.08 1jtc s LEU 13 N -3.12 4.10 -0.43 2.77 1.43 0.10 -0.53 118.68 122.99 1jtc s LEU 13 Ca 0.29 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1jtc s LEU 13 Cb 0.01 -2.71 0.12 0.00 0.03 0.00 0.00 46.19 43.64 1jtc s LEU 13 CO 0.13 0.12 0.18 -0.76 0.23 0.00 0.00 176.35 176.25 1jtc s LEU 14 N -2.81 4.78 -0.17 1.79 1.43 -1.26 -0.54 118.68 121.90 1jtc s LEU 14 Ca 0.33 -2.45 -0.20 0.00 -1.03 0.00 0.00 54.13 50.78 1jtc s LEU 14 Cb -0.12 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1jtc s LEU 14 CO 0.26 -0.37 0.58 -0.47 0.23 0.00 0.00 176.35 176.58 1jtc s TYR 15 N 0.51 3.42 -0.34 0.29 5.04 0.05 -1.24 117.35 125.08 1jtc s TYR 15 Ca 0.13 0.91 -0.14 0.00 -2.44 0.00 0.00 57.07 55.52 1jtc s TYR 15 Cb -0.22 -2.72 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1jtc s TYR 15 CO -0.05 -0.07 0.32 0.00 -1.34 0.00 0.00 175.55 174.42 1jtc h SER 17 N 8.46 0.18 -0.77 0.00 4.64 -1.82 0.15 113.55 124.39 1jtc h SER 17 Ca -0.30 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1jtc h SER 17 Cb 1.15 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.09 1jtc h SER 17 CO 0.67 0.20 -0.56 -1.13 -0.87 0.00 0.00 176.83 175.15 1jtc h ASN 18 N 0.20 -1.98 -0.00 4.97 -1.24 -1.81 -3.14 115.58 112.57 1jtc h ASN 18 Ca 0.05 0.29 0.00 0.00 0.71 0.00 0.00 56.30 57.35 1jtc h ASN 18 Cb 0.11 0.86 0.00 0.00 0.73 0.00 0.00 38.32 40.02 1jtc h ASN 18 CO -0.00 -0.28 -0.04 0.61 -1.29 0.00 0.00 177.43 176.43 1jtc n GLY 19 N -1.28 -0.55 1.41 1.57 0.00 -1.24 -4.70 105.19 100.40 1jtc n GLY 19 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1jtc n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtc n GLY 20 N 0.46 0.35 3.32 -0.02 0.00 0.45 -4.97 105.19 104.78 1jtc n GLY 20 Ca 0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1jtc n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jtc s HIS 21 N -3.05 1.95 -0.18 1.61 3.76 -0.74 -4.55 115.29 114.08 1jtc s HIS 21 Ca 0.01 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.35 1jtc s HIS 21 Cb -0.00 -1.05 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 1jtc s HIS 21 CO 0.11 0.27 0.37 -0.06 -0.85 0.00 0.00 174.74 174.58 1jtc s PHE 22 N -1.25 3.42 0.29 1.40 0.08 -0.24 0.56 117.98 122.25 1jtc s PHE 22 Ca 0.10 0.64 -0.30 0.00 0.12 0.00 0.00 56.93 57.49 1jtc s PHE 22 Cb -0.09 -2.47 -0.13 0.00 -0.57 0.00 0.00 43.02 39.76 1jtc s PHE 22 CO 0.05 0.09 1.38 -0.11 -0.10 0.00 0.00 175.22 176.53 1jtc n LEU 23 N 4.09 3.47 -3.92 -0.37 7.94 -0.37 -1.61 117.00 126.23 1jtc n LEU 23 Ca -0.09 1.17 -0.15 0.00 -1.11 0.00 0.00 56.01 55.83 1jtc n LEU 23 Cb 0.51 -1.47 -0.14 0.00 0.53 0.00 0.00 43.42 42.84 1jtc n LEU 23 CO 0.40 -0.41 -0.39 -0.60 -1.11 0.00 0.00 177.39 175.29 1jtc s ARG 24 N -1.10 0.30 -0.28 1.96 3.52 0.26 -4.44 118.95 119.17 1jtc s ARG 24 Ca 0.62 -0.11 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 1jtc s ARG 24 Cb -0.59 -0.30 0.07 0.00 -1.56 0.00 0.00 34.95 32.57 1jtc s ARG 24 CO 0.55 0.06 -0.07 0.42 -0.81 0.00 0.00 175.30 175.45 1jtc s ILE 25 N 0.00 2.16 0.75 4.11 1.01 -1.01 -0.98 121.20 127.25 1jtc s ILE 25 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 60.65 58.75 1jtc s ILE 25 Cb -0.02 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1jtc s ILE 25 CO -0.00 -0.17 1.09 -0.76 0.00 0.00 0.00 174.94 175.10 1jtc s LEU 26 N 1.07 3.10 0.59 2.97 1.43 0.13 -4.83 118.68 123.14 1jtc s LEU 26 Ca -0.04 1.85 0.34 0.00 -1.03 0.00 0.00 54.13 55.25 1jtc s LEU 26 Cb -0.20 -4.53 1.85 0.00 0.03 0.00 0.00 46.19 43.35 1jtc s LEU 26 CO -0.06 -1.95 2.21 -0.65 0.23 0.00 0.00 176.35 176.13 1jtc h PRO 27 N -0.91 0.00 -0.00 1.29 0.11 -1.99 0.11 132.00 130.61 1jtc h PRO 27 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jtc h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jtc h PRO 27 CO 0.52 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1jtc n ASP 28 N -3.48 0.04 0.00 -2.05 5.75 -1.26 -4.85 116.55 110.70 1jtc n ASP 28 Ca -0.02 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.59 1jtc n ASP 28 Cb 0.15 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1jtc n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jtc n GLY 29 N 0.93 0.52 3.77 6.12 0.00 0.37 -4.97 105.19 111.92 1jtc n GLY 29 Ca 0.20 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1jtc n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jtc s THR 30 N -2.00 4.21 -0.03 2.61 -1.32 -1.24 -1.10 115.64 116.77 1jtc s THR 30 Ca 0.00 1.88 0.05 0.00 -1.21 0.00 0.00 61.69 62.40 1jtc s THR 30 Cb 0.00 -4.19 -0.03 0.00 -1.51 0.00 0.00 72.50 66.78 1jtc s THR 30 CO 0.00 0.43 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.98 1jtc s VAL 31 N -1.27 2.90 0.00 5.08 1.01 -1.26 0.21 120.40 127.07 1jtc s VAL 31 Ca 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1jtc s VAL 31 Cb -0.23 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1jtc s VAL 31 CO 0.28 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 175.04 1jtc n ASP 32 N 2.22 0.00 -4.20 3.32 5.75 -0.15 -4.42 116.55 119.07 1jtc n ASP 32 Ca -0.17 -0.25 -0.16 0.00 -0.01 0.00 0.00 54.79 54.20 1jtc n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1jtc n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jtc s GLY 33 N -0.90 0.92 -0.01 6.12 0.00 0.99 0.92 107.32 115.37 1jtc s GLY 33 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.48 1jtc s GLY 33 CO 0.00 -1.26 0.10 -1.08 0.00 0.00 0.00 173.10 170.86 1jtc s THR 34 N -2.18 0.06 -1.08 0.90 -1.32 -0.63 -4.78 115.64 106.61 1jtc s THR 34 Ca 0.05 -0.51 0.27 0.00 -1.21 0.00 0.00 61.69 60.29 1jtc s THR 34 Cb -0.05 -0.32 0.16 0.00 -1.51 0.00 0.00 72.50 70.79 1jtc s THR 34 CO 0.01 -0.28 1.70 0.54 -2.21 0.00 0.00 174.62 174.38 1jtc n ARG 35 N 1.98 0.08 -2.42 7.08 1.74 -1.26 -1.07 116.66 122.78 1jtc n ARG 35 Ca -0.20 -0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.46 1jtc n ARG 35 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1jtc n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jtc s ASP 36 N -2.94 5.99 0.58 0.55 2.15 -1.26 -4.88 116.67 116.86 1jtc s ASP 36 Ca 0.14 -0.54 0.38 0.00 0.43 0.00 0.00 52.55 52.97 1jtc s ASP 36 Cb 0.18 -2.56 2.06 0.00 -0.30 0.00 0.00 42.92 42.31 1jtc s ASP 36 CO 0.60 -1.94 2.16 -0.09 -0.17 0.00 0.00 175.17 175.73 1jtc h ARG 37 N 10.99 0.00 -0.00 4.34 9.65 -2.01 -0.72 114.38 136.62 1jtc h ARG 37 Ca -0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1jtc h ARG 37 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1jtc h ARG 37 CO 1.30 0.00 -0.41 -1.13 2.80 0.00 0.00 179.97 182.52 1jtc n SER 38 N -2.85 0.74 -4.61 -3.80 3.41 -1.26 -4.92 113.62 100.33 1jtc n SER 38 Ca -0.03 -0.54 -0.47 0.00 -0.26 0.00 0.00 58.87 57.58 1jtc n SER 38 Cb 0.08 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1jtc n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jtc n ASP 39 N -1.14 1.83 -0.01 4.04 -0.08 -0.28 -4.87 116.55 116.04 1jtc n ASP 39 Ca 0.08 1.15 0.15 0.00 -1.51 0.00 0.00 54.79 54.66 1jtc n ASP 39 Cb 0.34 -1.30 0.78 0.00 2.34 0.00 0.00 41.12 43.28 1jtc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtc n GLN 40 N 1.68 0.54 -0.41 -0.67 1.13 -1.26 -3.82 117.38 114.57 1jtc n GLN 40 Ca 0.13 -0.02 0.08 0.00 -1.94 0.00 0.00 57.00 55.25 1jtc n GLN 40 Cb 0.28 -1.50 0.25 0.00 0.11 0.00 0.00 30.24 29.38 1jtc n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jtc n HIS 41 N -1.21 0.89 -0.34 1.08 8.25 -1.26 -4.55 115.22 118.09 1jtc n HIS 41 Ca 0.16 -0.84 0.06 0.00 -0.26 0.00 0.00 57.72 56.85 1jtc n HIS 41 Cb 0.22 -0.28 0.18 0.00 1.12 0.00 0.00 29.99 31.23 1jtc n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jtc n ILE 42 N -0.40 1.25 -4.05 1.59 -5.35 -1.25 -2.40 119.36 108.75 1jtc n ILE 42 Ca 0.20 -1.16 -0.35 0.00 -0.27 0.00 0.00 62.75 61.18 1jtc n ILE 42 Cb 0.84 0.36 -0.11 0.00 -1.74 0.00 0.00 39.64 38.99 1jtc n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jtc s GLN 43 N -1.34 3.83 0.04 6.28 1.11 -1.26 -4.38 119.66 123.94 1jtc s GLN 43 Ca 0.28 -0.42 0.06 0.00 0.01 0.00 0.00 55.36 55.29 1jtc s GLN 43 Cb 0.17 -3.16 -0.02 0.00 -1.01 0.00 0.00 33.01 28.98 1jtc s GLN 43 CO 0.15 0.16 -0.16 -0.06 0.01 0.00 0.00 175.29 175.39 1jtc s PHE 44 N 0.64 1.43 -0.31 0.91 0.08 0.31 -1.24 117.98 119.80 1jtc s PHE 44 Ca 0.02 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 1jtc s PHE 44 Cb -0.13 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 1jtc s PHE 44 CO 0.02 0.06 0.16 -1.14 -0.10 0.00 0.00 175.22 174.22 1jtc s GLN 45 N -1.15 3.39 0.17 0.44 2.00 0.25 -0.03 119.66 124.73 1jtc s GLN 45 Ca 0.04 -0.69 -0.08 0.00 -2.00 0.00 0.00 55.36 52.63 1jtc s GLN 45 Cb -0.08 -3.59 -0.06 0.00 0.80 0.00 0.00 33.01 30.07 1jtc s GLN 45 CO 0.01 -0.40 0.45 -0.51 -0.50 0.00 0.00 175.29 174.34 1jtc s LEU 46 N 1.63 4.24 -0.01 3.68 1.02 -1.26 -1.26 118.68 126.72 1jtc s LEU 46 Ca 0.05 0.76 -0.13 0.00 0.02 0.00 0.00 54.13 54.83 1jtc s LEU 46 Cb -0.17 -3.43 0.02 0.00 0.02 0.00 0.00 46.19 42.63 1jtc s LEU 46 CO 0.07 0.02 0.26 -0.94 0.02 0.00 0.00 176.35 175.77 1jtc s SER 47 N -2.31 -0.13 0.20 2.29 1.04 -0.82 -4.78 113.70 109.20 1jtc s SER 47 Ca 0.43 0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.88 1jtc s SER 47 Cb -0.12 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1jtc s SER 47 CO 0.22 -0.42 0.36 0.00 0.98 0.00 0.00 173.24 174.38 1jtc s ALA 48 N -1.33 3.89 0.00 5.32 0.00 -1.26 -0.59 121.76 127.80 1jtc s ALA 48 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1jtc s ALA 48 Cb -0.06 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1jtc s ALA 48 CO 0.03 0.39 0.00 -1.91 0.00 0.00 0.00 175.76 174.28 1jtc n GLU 49 N -0.87 0.00 -2.50 0.00 4.07 -0.51 -4.91 120.64 115.93 1jtc n GLU 49 Ca -0.06 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.80 1jtc n GLU 49 Cb 0.55 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 32.02 1jtc n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jtc s SER 50 N -0.21 4.57 0.15 4.31 0.01 -1.26 -4.93 113.70 116.34 1jtc s SER 50 Ca 0.00 -0.12 -0.33 0.00 1.31 0.00 0.00 55.95 56.81 1jtc s SER 50 Cb 0.00 -0.40 -0.13 0.00 0.21 0.00 0.00 66.02 65.70 1jtc s SER 50 CO 0.00 -1.70 1.68 0.52 0.41 0.00 0.00 173.24 174.15 1jtc n VAL 51 N -2.78 0.09 -0.30 3.43 0.31 -1.26 -1.67 118.33 116.15 1jtc n VAL 51 Ca 0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1jtc n VAL 51 Cb 0.60 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1jtc n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jtc n GLY 52 N 3.75 1.55 3.56 2.92 0.00 -1.26 -5.03 105.19 110.68 1jtc n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1jtc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jtc s GLU 53 N -0.31 3.06 0.09 1.61 2.02 -0.67 -0.80 118.70 123.70 1jtc s GLU 53 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.47 1jtc s GLU 53 Cb 0.00 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1jtc s GLU 53 CO 0.00 0.53 -0.07 0.14 0.02 0.00 0.00 175.26 175.88 1jtc s VAL 54 N -0.43 0.70 -0.08 2.63 -7.23 -0.14 -1.42 120.40 114.43 1jtc s VAL 54 Ca 0.07 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1jtc s VAL 54 Cb -0.12 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1jtc s VAL 54 CO 0.02 -0.79 -0.07 -0.31 -0.31 0.00 0.00 175.10 173.64 1jtc s TYR 55 N -3.28 2.95 -0.34 2.82 2.02 0.25 -1.63 117.35 120.13 1jtc s TYR 55 Ca 0.09 -0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 1jtc s TYR 55 Cb 0.03 -1.74 0.08 0.00 -0.40 0.00 0.00 41.96 39.93 1jtc s TYR 55 CO -0.04 0.28 0.07 0.42 -1.57 0.00 0.00 175.55 174.72 1jtc s ILE 56 N -0.66 2.96 -0.15 2.71 1.01 -1.26 -1.94 121.20 123.87 1jtc s ILE 56 Ca 0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 60.65 58.98 1jtc s ILE 56 Cb -0.11 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1jtc s ILE 56 CO 0.02 -0.37 -0.06 -0.75 0.00 0.00 0.00 174.94 173.78 1jtc s LYS 57 N 1.16 3.57 0.03 2.79 2.20 -0.39 -0.65 119.74 128.45 1jtc s LYS 57 Ca 0.01 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 1jtc s LYS 57 Cb -0.21 -2.84 -0.08 0.00 -1.51 0.00 0.00 37.83 33.19 1jtc s LYS 57 CO -0.03 0.20 1.78 0.45 -0.36 0.00 0.00 175.35 177.39 1jtc s SER 58 N 0.45 6.55 0.46 1.43 0.15 0.21 0.87 113.70 123.81 1jtc s SER 58 Ca -0.05 2.51 0.25 0.00 0.70 0.00 0.00 55.95 59.35 1jtc s SER 58 Cb -0.15 -2.54 1.00 0.00 -1.71 0.00 0.00 66.02 62.62 1jtc s SER 58 CO 0.03 -0.97 1.86 0.71 1.20 0.00 0.00 173.24 176.07 1jtc h THR 59 N 5.32 0.51 0.00 6.45 1.35 -1.51 -0.43 112.91 124.59 1jtc h THR 59 Ca -0.44 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 1jtc h THR 59 Cb 1.21 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1jtc h THR 59 CO 0.94 0.19 -0.07 -0.08 -0.25 0.00 0.00 175.52 176.26 1jtc h GLU 60 N 0.00 0.00 0.00 4.72 4.57 -1.81 -3.41 114.58 118.65 1jtc h GLU 60 Ca -0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1jtc h GLU 60 Cb 0.69 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1jtc h GLU 60 CO 0.03 0.87 -1.95 0.25 -1.18 0.00 0.00 179.01 177.03 1jtc n THR 61 N -4.62 0.21 -0.04 0.32 -2.24 -1.24 -5.00 114.28 101.68 1jtc n THR 61 Ca -0.10 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1jtc n THR 61 Cb 0.43 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1jtc n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtc n GLY 62 N 1.48 1.24 3.77 3.38 0.00 -0.17 -5.02 105.19 109.87 1jtc n GLY 62 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1jtc n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtc s GLN 63 N -0.57 3.48 -0.06 1.61 -0.21 -1.26 -4.64 119.66 118.00 1jtc s GLN 63 Ca 0.00 1.63 -0.02 0.00 0.02 0.00 0.00 55.36 56.99 1jtc s GLN 63 Cb 0.00 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1jtc s GLN 63 CO 0.00 -0.75 0.06 0.71 -2.12 0.00 0.00 175.29 173.19 1jtc s TYR 64 N -1.73 3.31 0.30 0.91 1.51 0.27 -0.62 117.35 121.30 1jtc s TYR 64 Ca 0.70 0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 56.75 1jtc s TYR 64 Cb -0.25 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.70 1jtc s TYR 64 CO 0.28 0.56 1.29 -1.17 -1.11 0.00 0.00 175.55 175.40 1jtc s LEU 65 N -1.23 4.44 0.11 -1.29 2.96 0.18 -0.41 118.68 123.43 1jtc s LEU 65 Ca 0.17 2.59 -0.11 0.00 -0.22 0.00 0.00 54.13 56.57 1jtc s LEU 65 Cb -0.12 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1jtc s LEU 65 CO 0.07 -0.49 0.26 0.00 -1.32 0.00 0.00 176.35 174.87 1jtc s ALA 66 N -0.92 -0.40 -0.12 5.97 0.00 -0.18 -4.38 121.76 121.73 1jtc s ALA 66 Ca 0.50 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1jtc s ALA 66 Cb -0.38 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1jtc s ALA 66 CO 0.49 -0.56 -0.09 1.41 0.00 0.00 0.00 175.76 177.01 1jtc s MET 67 N -3.85 1.63 0.90 0.00 1.75 -0.61 -0.98 119.30 118.15 1jtc s MET 67 Ca 0.05 -0.30 -0.13 0.00 -1.25 0.00 0.00 55.69 54.06 1jtc s MET 67 Cb 0.04 -1.65 0.16 0.00 2.84 0.00 0.00 34.83 36.23 1jtc s MET 67 CO -0.10 -0.25 1.25 0.16 -0.65 0.00 0.00 175.02 175.43 1jtc s ASP 68 N 1.64 3.56 0.56 1.11 1.47 -0.51 -4.82 116.67 119.67 1jtc s ASP 68 Ca 0.04 0.31 0.37 0.00 1.18 0.00 0.00 52.55 54.46 1jtc s ASP 68 Cb -0.13 -0.50 1.98 0.00 -0.34 0.00 0.00 42.92 43.93 1jtc s ASP 68 CO -0.08 -2.45 2.14 0.71 0.68 0.00 0.00 175.17 176.17 1jtc h THR 69 N -1.38 0.00 -0.02 2.11 1.35 -2.01 0.50 112.91 113.46 1jtc h THR 69 Ca -0.44 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1jtc h THR 69 Cb 1.26 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1jtc h THR 69 CO 0.44 0.00 -0.06 0.47 -0.25 0.00 0.00 175.52 176.12 1jtc n ASP 70 N -2.84 1.78 0.00 5.36 8.00 -1.26 -4.94 116.55 122.64 1jtc n ASP 70 Ca -0.02 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1jtc n ASP 70 Cb 0.09 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1jtc n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtc n GLY 71 N 1.25 0.41 3.81 0.44 0.00 0.18 -4.67 105.19 106.61 1jtc n GLY 71 Ca 0.16 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1jtc n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jtc s LEU 72 N 0.00 4.33 0.49 0.99 2.01 -1.25 -0.30 118.68 124.95 1jtc s LEU 72 Ca 0.00 0.49 -0.20 0.00 0.01 0.00 0.00 54.13 54.43 1jtc s LEU 72 Cb 0.00 -2.21 -0.08 0.00 0.01 0.00 0.00 46.19 43.91 1jtc s LEU 72 CO 0.00 0.28 1.03 -0.76 1.01 0.00 0.00 176.35 177.91 1jtc s LEU 73 N -0.42 3.80 0.13 1.79 1.43 -1.26 -1.43 118.68 122.73 1jtc s LEU 73 Ca 0.15 1.88 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 1jtc s LEU 73 Cb -0.13 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.61 1jtc s LEU 73 CO 0.04 -0.78 0.70 -0.72 0.23 0.00 0.00 176.35 175.82 1jtc s TYR 74 N -2.08 -0.44 -0.25 0.29 1.13 -0.15 -4.61 117.35 111.24 1jtc s TYR 74 Ca 0.66 0.22 -0.18 0.00 -1.41 0.00 0.00 57.07 56.35 1jtc s TYR 74 Cb -0.15 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1jtc s TYR 74 CO 0.22 -0.81 0.52 0.20 -2.51 0.00 0.00 175.55 173.17 1jtc s GLY 75 N -2.71 1.89 -0.08 5.49 0.00 -0.26 -1.01 107.32 110.63 1jtc s GLY 75 Ca 0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 1jtc s GLY 75 CO -0.09 1.22 0.16 -0.45 0.00 0.00 0.00 173.10 173.93 1jtc s SER 76 N 1.45 6.39 0.45 1.64 0.15 0.45 -4.78 113.70 119.45 1jtc s SER 76 Ca 0.22 0.44 0.24 0.00 0.70 0.00 0.00 55.95 57.55 1jtc s SER 76 Cb -0.16 -2.05 0.92 0.00 -1.71 0.00 0.00 66.02 63.03 1jtc s SER 76 CO 0.09 0.36 1.83 1.56 1.20 0.00 0.00 173.24 178.28 1jtc h GLN 77 N 4.60 0.00 -5.10 5.44 1.08 -1.92 0.78 115.11 119.98 1jtc h GLN 77 Ca -0.53 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.31 1jtc h GLN 77 Cb 1.22 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.45 1jtc h GLN 77 CO 0.62 0.21 -0.75 0.95 -0.95 0.00 0.00 178.83 178.91 1jtc s THR 78 N -3.63 1.01 -1.19 -0.54 -4.23 -1.26 -4.84 115.64 100.96 1jtc s THR 78 Ca 0.01 -1.50 -0.16 0.00 -1.18 0.00 0.00 61.69 58.86 1jtc s THR 78 Cb 0.10 -1.22 0.14 0.00 1.34 0.00 0.00 72.50 72.85 1jtc s THR 78 CO 0.63 -0.42 1.47 -2.16 -0.54 0.00 0.00 174.62 173.61 1jtc s PRO 79 N -2.34 3.98 0.03 3.99 0.04 -1.26 -4.80 135.00 134.64 1jtc s PRO 79 Ca 0.02 -2.27 0.00 0.00 0.04 0.00 0.00 61.00 58.80 1jtc s PRO 79 Cb -0.06 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1jtc s PRO 79 CO 0.01 -1.91 0.03 0.27 0.04 0.00 0.00 177.00 175.44 1jtc n ASN 80 N 6.60 0.85 0.31 6.66 0.23 -1.26 -4.94 115.26 123.70 1jtc n ASN 80 Ca 0.38 -1.10 0.19 0.00 -0.53 0.00 0.00 54.58 53.53 1jtc n ASN 80 Cb 0.45 -0.01 1.03 0.00 -2.08 0.00 0.00 39.78 39.17 1jtc n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jtc h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.98 0.77 114.58 113.65 1jtc h GLU 81 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jtc h GLU 81 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1jtc h GLU 81 CO 0.03 0.00 -0.04 0.39 0.07 0.00 0.00 179.01 179.46 1jtc n GLU 82 N -3.31 0.16 0.00 1.06 1.02 -1.26 -3.66 120.64 114.65 1jtc n GLU 82 Ca -0.02 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.22 1jtc n GLU 82 Cb 0.18 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1jtc n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jtc s LEU 84 N -2.50 4.28 0.07 0.00 1.43 -1.24 -4.46 118.68 116.26 1jtc s LEU 84 Ca 0.17 1.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 1jtc s LEU 84 Cb 0.18 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1jtc s LEU 84 CO 0.59 -0.15 -0.20 -0.36 0.23 0.00 0.00 176.35 176.46 1jtc s PHE 85 N 1.03 1.76 -0.45 0.29 0.40 -0.65 -1.20 117.98 119.16 1jtc s PHE 85 Ca 0.35 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 56.06 1jtc s PHE 85 Cb -0.17 -1.01 0.03 0.00 0.51 0.00 0.00 43.02 42.38 1jtc s PHE 85 CO 0.16 0.14 0.76 -0.51 0.70 0.00 0.00 175.22 176.47 1jtc s LEU 86 N -1.51 4.29 -0.27 -0.37 1.43 0.12 -0.96 118.68 121.41 1jtc s LEU 86 Ca 0.06 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 1jtc s LEU 86 Cb -0.09 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1jtc s LEU 86 CO 0.03 -0.89 0.68 -0.70 0.23 0.00 0.00 176.35 175.69 1jtc s GLU 87 N 3.21 4.06 0.08 1.70 2.12 0.02 -1.23 118.70 128.67 1jtc s GLU 87 Ca 0.29 0.56 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1jtc s GLU 87 Cb -0.12 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1jtc s GLU 87 CO 0.22 -0.49 -0.07 1.03 -0.54 0.00 0.00 175.26 175.41 1jtc s ARG 88 N 2.62 0.76 0.40 4.30 1.81 -0.37 -4.75 118.95 123.72 1jtc s ARG 88 Ca 0.28 -1.21 -0.23 0.00 -1.72 0.00 0.00 55.73 52.84 1jtc s ARG 88 Cb -0.15 -0.19 -0.09 0.00 -0.45 0.00 0.00 34.95 34.06 1jtc s ARG 88 CO 0.09 -0.01 1.01 -1.17 -0.68 0.00 0.00 175.30 174.55 1jtc s LEU 89 N -2.75 4.10 -0.02 2.53 2.96 -0.06 -0.82 118.68 124.62 1jtc s LEU 89 Ca 0.07 1.93 -0.02 0.00 -0.22 0.00 0.00 54.13 55.89 1jtc s LEU 89 Cb 0.02 -4.27 0.00 0.00 0.50 0.00 0.00 46.19 42.45 1jtc s LEU 89 CO -0.04 -0.43 0.05 -0.70 -1.32 0.00 0.00 176.35 173.91 1jtc s GLU 90 N -2.63 0.09 -1.37 1.98 2.56 0.61 -4.82 118.70 115.11 1jtc s GLU 90 Ca 0.58 0.02 -0.11 0.00 0.00 0.00 0.00 54.97 55.47 1jtc s GLU 90 Cb -0.18 0.04 0.08 0.00 2.00 0.00 0.00 34.13 36.07 1jtc s GLU 90 CO 0.23 -0.01 0.58 0.39 -0.56 0.00 0.00 175.26 175.89 1jtc n GLU 91 N 2.91 -3.63 -1.90 4.30 1.02 -1.26 -0.53 120.64 121.56 1jtc n GLU 91 Ca -0.13 0.49 -0.16 0.00 -0.02 0.00 0.00 57.16 57.34 1jtc n GLU 91 Cb 0.59 -5.22 -0.04 0.00 -0.02 0.00 0.00 31.44 26.75 1jtc n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jtc n ASN 92 N -2.39 -4.38 0.06 1.62 4.13 -1.26 -4.61 115.26 108.42 1jtc n ASN 92 Ca -0.00 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1jtc n ASN 92 Cb 0.54 -3.85 0.00 0.00 -1.54 0.00 0.00 39.78 34.93 1jtc n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jtc n HIS 93 N -2.77 -2.14 -2.12 3.10 -0.00 0.32 -5.15 115.22 106.45 1jtc n HIS 93 Ca -0.17 0.32 -0.27 0.00 0.46 0.00 0.00 57.72 58.06 1jtc n HIS 93 Cb 0.57 1.10 0.12 0.00 -0.12 0.00 0.00 29.99 31.66 1jtc n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1jtc s TYR 94 N -2.00 2.31 -0.09 1.57 2.02 -0.32 -4.79 117.35 116.05 1jtc s TYR 94 Ca 0.00 0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.04 1jtc s TYR 94 Cb 0.00 -3.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.02 1jtc s TYR 94 CO 0.00 -1.91 -0.05 -0.80 -1.57 0.00 0.00 175.55 171.21 1jtc s ASN 95 N -4.68 4.74 0.11 2.29 -0.87 0.04 -0.28 114.94 116.29 1jtc s ASN 95 Ca 0.66 -0.04 0.08 0.00 -1.57 0.00 0.00 52.86 51.99 1jtc s ASN 95 Cb -0.08 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.25 39.74 1jtc s ASN 95 CO 0.48 0.31 -0.19 0.42 -2.57 0.00 0.00 177.10 175.55 1jtc s THR 96 N -0.49 1.67 -0.26 1.60 -4.23 -0.00 -0.64 115.64 113.30 1jtc s THR 96 Ca 0.07 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1jtc s THR 96 Cb -0.12 -1.58 0.07 0.00 1.34 0.00 0.00 72.50 72.20 1jtc s THR 96 CO 0.02 -0.15 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.59 1jtc s TYR 97 N -1.42 2.83 -0.14 3.99 2.02 -1.26 -1.24 117.35 122.13 1jtc s TYR 97 Ca 0.08 -2.10 -0.07 0.00 -0.37 0.00 0.00 57.07 54.60 1jtc s TYR 97 Cb -0.09 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1jtc s TYR 97 CO 0.05 -0.84 0.12 0.42 -1.57 0.00 0.00 175.55 173.73 1jtc s ILE 98 N 1.24 5.33 0.12 2.71 1.01 -0.36 -0.91 121.20 130.34 1jtc s ILE 98 Ca -0.04 0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 1jtc s ILE 98 Cb -0.19 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 38.82 1jtc s ILE 98 CO -0.07 0.57 1.84 -0.24 0.00 0.00 0.00 174.94 177.04 1jtc n SER 99 N 2.46 4.04 -0.04 3.58 2.88 -0.20 0.11 113.62 126.45 1jtc n SER 99 Ca -0.19 0.99 -0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1jtc n SER 99 Cb 0.54 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 62.39 1jtc n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jtc h LYS 100 N 8.52 0.23 -1.00 -1.46 3.64 -1.48 -0.70 116.57 124.31 1jtc h LYS 100 Ca -0.46 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 58.93 1jtc h LYS 100 Cb 1.22 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 1jtc h LYS 100 CO 0.95 0.49 0.64 -0.22 -2.27 0.00 0.00 179.45 179.04 1jtc h LYS 101 N -0.06 1.06 -0.59 1.90 3.64 -1.76 -2.09 116.57 118.67 1jtc h LYS 101 Ca 0.03 -0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 1jtc h LYS 101 Cb 0.40 -0.24 -0.20 0.00 -0.41 0.00 0.00 32.23 31.78 1jtc h LYS 101 CO 0.01 0.70 0.08 0.72 -2.27 0.00 0.00 179.45 178.69 1jtc n HIS 102 N -4.56 1.90 -0.36 1.91 8.25 -1.20 -4.75 115.22 116.41 1jtc n HIS 102 Ca 0.17 -1.90 0.12 0.00 -0.26 0.00 0.00 57.72 55.85 1jtc n HIS 102 Cb 0.27 -0.68 0.30 0.00 1.12 0.00 0.00 29.99 31.00 1jtc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jtc h ALA 103 N 1.25 1.64 0.00 -1.41 0.00 -0.38 -0.40 119.26 119.96 1jtc h ALA 103 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1jtc h ALA 103 Cb 1.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1jtc h ALA 103 CO 0.71 0.01 0.00 1.05 0.00 0.00 0.00 179.25 181.02 1jtc h GLU 104 N 0.82 0.00 -0.01 0.00 9.09 -1.85 -2.15 114.58 120.47 1jtc h GLU 104 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 1jtc h GLU 104 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1jtc h GLU 104 CO -0.36 0.00 -0.28 1.63 0.05 0.00 0.00 179.01 180.05 1jtc n LYS 105 N -2.67 1.13 -3.49 1.06 5.02 -0.16 -4.97 118.16 114.08 1jtc n LYS 105 Ca 0.00 -0.78 -0.19 0.00 -2.02 0.00 0.00 58.31 55.32 1jtc n LYS 105 Cb 0.21 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1jtc n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jtc n ASN 106 N -0.25 -2.69 -4.60 4.39 4.13 -0.81 -4.97 115.26 110.47 1jtc n ASN 106 Ca 0.12 -0.71 -0.37 0.00 1.68 0.00 0.00 54.58 55.30 1jtc n ASN 106 Cb 0.40 -4.75 -0.11 0.00 -1.54 0.00 0.00 39.78 33.79 1jtc n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jtc s TRP 107 N -3.46 3.23 0.31 3.10 0.52 -1.25 -4.47 118.94 116.92 1jtc s TRP 107 Ca 0.10 0.08 0.10 0.00 0.02 0.00 0.00 56.10 56.40 1jtc s TRP 107 Cb -0.02 -2.31 -0.05 0.00 -1.15 0.00 0.00 33.47 29.94 1jtc s TRP 107 CO 0.76 -0.10 -0.01 -0.06 0.02 0.00 0.00 176.95 177.56 1jtc s PHE 108 N 1.46 2.57 0.07 -1.98 0.40 -1.26 -1.03 117.98 118.21 1jtc s PHE 108 Ca 0.07 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 1jtc s PHE 108 Cb -0.15 -1.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 1jtc s PHE 108 CO 0.08 0.54 0.95 0.08 0.70 0.00 0.00 175.22 177.57 1jtc s VAL 109 N -2.45 4.62 0.14 -0.44 1.01 -0.09 -4.52 120.40 118.67 1jtc s VAL 109 Ca 0.33 2.04 -0.24 0.00 0.00 0.00 0.00 61.98 64.11 1jtc s VAL 109 Cb -0.03 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 32.11 1jtc s VAL 109 CO 0.19 0.27 0.69 -0.83 0.00 0.00 0.00 175.10 175.43 1jtc s GLY 110 N 0.29 -0.51 0.02 4.51 0.00 -1.26 -4.47 107.32 105.90 1jtc s GLY 110 Ca 0.48 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.74 1jtc s GLY 110 CO 0.29 0.16 -0.14 1.08 0.00 0.00 0.00 173.10 174.49 1jtc s LEU 111 N -2.72 2.13 0.68 0.66 1.43 -0.86 -0.69 118.68 119.31 1jtc s LEU 111 Ca 0.03 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1jtc s LEU 111 Cb -0.02 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.59 1jtc s LEU 111 CO -0.09 0.07 1.05 -0.54 0.23 0.00 0.00 176.35 177.07 1jtc s LYS 112 N -0.90 2.84 0.59 1.70 1.02 0.20 -4.43 119.74 120.75 1jtc s LYS 112 Ca 0.03 0.32 0.28 0.00 0.02 0.00 0.00 55.97 56.62 1jtc s LYS 112 Cb -0.07 -2.08 1.59 0.00 -0.52 0.00 0.00 37.83 36.75 1jtc s LYS 112 CO 0.01 -0.97 2.04 0.87 -0.92 0.00 0.00 175.35 176.37 1jtc h LYS 113 N -0.54 0.00 -0.01 1.68 1.57 -1.88 0.20 116.57 117.58 1jtc h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jtc h LYS 113 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1jtc h LYS 113 CO 0.63 0.00 -0.09 0.27 -0.57 0.00 0.00 179.45 179.70 1jtc n ASN 114 N -3.79 0.93 0.00 0.86 0.23 -1.26 -4.48 115.26 107.74 1jtc n ASN 114 Ca 0.04 -1.06 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 1jtc n ASN 114 Cb 0.43 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1jtc n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jtc n GLY 115 N 1.21 0.86 3.85 4.83 0.00 0.69 -5.00 105.19 111.64 1jtc n GLY 115 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1jtc n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtc s SER 116 N -2.20 6.60 0.66 1.61 1.04 -1.26 -0.01 113.70 120.15 1jtc s SER 116 Ca 0.00 1.39 -0.16 0.00 0.48 0.00 0.00 55.95 57.66 1jtc s SER 116 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1jtc s SER 116 CO 0.00 -0.48 1.17 0.00 0.98 0.00 0.00 173.24 174.91 1jtc s LYS 118 N -3.80 3.62 -0.01 0.00 1.02 0.13 -4.69 119.74 116.00 1jtc s LYS 118 Ca 0.72 -0.07 -0.20 0.00 0.02 0.00 0.00 55.97 56.44 1jtc s LYS 118 Cb -0.26 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1jtc s LYS 118 CO 0.40 0.55 0.58 1.03 -0.92 0.00 0.00 175.35 176.98 1jtc s ARG 119 N -2.27 4.30 0.25 1.68 0.52 -1.26 -4.61 118.95 117.57 1jtc s ARG 119 Ca 0.35 0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 56.25 1jtc s ARG 119 Cb -0.13 -3.35 0.55 0.00 0.52 0.00 0.00 34.95 32.55 1jtc s ARG 119 CO 0.22 0.36 1.34 0.41 0.02 0.00 0.00 175.30 177.64 1jtc n GLY 120 N 2.49 -1.27 0.24 -3.53 0.00 0.59 0.91 105.19 104.62 1jtc n GLY 120 Ca -0.07 0.87 0.17 0.00 0.00 0.00 0.00 46.02 46.98 1jtc n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jtc h PRO 121 N 0.00 0.00 -0.25 1.61 0.11 -1.83 -1.51 132.00 130.13 1jtc h PRO 121 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1jtc h PRO 121 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1jtc h PRO 121 CO -0.83 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.50 1jtc n ARG 122 N -2.79 2.33 -3.79 1.05 5.12 0.26 -4.93 116.66 113.91 1jtc n ARG 122 Ca -0.00 -1.99 -0.20 0.00 -1.93 0.00 0.00 57.85 53.73 1jtc n ARG 122 Cb 0.21 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1jtc n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jtc s THR 123 N -1.69 4.69 -0.22 0.55 -4.23 -0.57 -4.92 115.64 109.26 1jtc s THR 123 Ca 0.35 -1.04 -0.36 0.00 -1.18 0.00 0.00 61.69 59.46 1jtc s THR 123 Cb 0.21 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.57 1jtc s THR 123 CO 0.31 -0.26 1.28 -1.38 -0.54 0.00 0.00 174.62 174.02 1jtc s HIS 124 N -2.08 -0.08 0.40 3.99 -3.43 -1.26 -4.85 115.29 107.98 1jtc s HIS 124 Ca 0.38 0.05 -0.26 0.00 -0.80 0.00 0.00 55.06 54.43 1jtc s HIS 124 Cb -0.09 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.47 1jtc s HIS 124 CO 0.29 -0.14 1.29 0.66 -2.00 0.00 0.00 174.74 174.84 1jtc n TYR 125 N -0.08 2.22 0.00 0.38 4.01 -1.26 -2.74 117.16 119.68 1jtc n TYR 125 Ca 0.02 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1jtc n TYR 125 Cb 0.58 -2.40 0.00 0.00 -0.31 0.00 0.00 39.34 37.21 1jtc n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jtc n GLY 126 N 0.78 2.98 3.88 2.72 0.00 -1.26 -5.08 105.19 109.20 1jtc n GLY 126 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1jtc n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtc s GLN 127 N -0.63 3.64 0.11 1.61 -0.21 -1.11 -4.97 119.66 118.10 1jtc s GLN 127 Ca 0.00 0.63 0.14 0.00 0.02 0.00 0.00 55.36 56.16 1jtc s GLN 127 Cb 0.00 -2.17 -0.11 0.00 1.00 0.00 0.00 33.01 31.73 1jtc s GLN 127 CO 0.00 -0.42 1.02 0.87 -2.12 0.00 0.00 175.29 174.64 1jtc h LYS 128 N 0.04 0.00 -0.02 2.91 1.79 -1.97 -3.33 116.57 115.98 1jtc h LYS 128 Ca -0.45 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.03 1jtc h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1jtc h LYS 128 CO 0.62 0.47 0.03 0.00 -1.08 0.00 0.00 179.45 179.48 1jtc h ALA 129 N 1.33 1.58 -0.01 3.86 0.00 -1.94 -2.46 119.26 121.61 1jtc h ALA 129 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jtc h ALA 129 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1jtc h ALA 129 CO 0.07 -0.04 -0.12 0.44 0.00 0.00 0.00 179.25 179.59 1jtc n ILE 130 N -3.86 0.00 -3.08 0.00 -5.35 -1.25 -2.02 119.36 103.80 1jtc n ILE 130 Ca -0.02 -0.25 -0.41 0.00 -0.27 0.00 0.00 62.75 61.80 1jtc n ILE 130 Cb 0.11 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.63 1jtc n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jtc s LEU 131 N -2.20 4.07 0.20 7.28 1.43 -0.92 -4.39 118.68 124.15 1jtc s LEU 131 Ca 0.31 0.77 0.11 0.00 -1.03 0.00 0.00 54.13 54.29 1jtc s LEU 131 Cb 0.20 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1jtc s LEU 131 CO 0.41 -0.38 -0.22 -0.36 0.23 0.00 0.00 176.35 176.03 1jtc s PHE 132 N 2.49 2.18 -0.22 0.29 0.40 0.19 -3.14 117.98 120.17 1jtc s PHE 132 Ca 0.28 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1jtc s PHE 132 Cb -0.15 -1.06 0.04 0.00 0.51 0.00 0.00 43.02 42.35 1jtc s PHE 132 CO 0.08 0.49 -0.14 -0.51 0.70 0.00 0.00 175.22 175.84 1jtc s LEU 133 N -2.81 2.82 -0.35 -0.37 1.43 0.33 -0.78 118.68 118.95 1jtc s LEU 133 Ca 0.21 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 52.05 1jtc s LEU 133 Cb -0.07 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1jtc s LEU 133 CO 0.10 -0.10 1.01 -2.16 0.23 0.00 0.00 176.35 175.43 1jtc s PRO 134 N 1.22 3.96 -0.12 1.29 0.04 -1.26 -0.77 135.00 139.37 1jtc s PRO 134 Ca -0.01 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1jtc s PRO 134 Cb -0.16 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1jtc s PRO 134 CO -0.08 -0.93 -0.05 -0.51 0.04 0.00 0.00 177.00 175.46 1jtc s LEU 135 N 3.61 3.24 0.28 -3.56 1.43 0.30 -4.91 118.68 119.06 1jtc s LEU 135 Ca 0.42 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1jtc s LEU 135 Cb -0.12 -1.75 -0.14 0.00 0.03 0.00 0.00 46.19 44.22 1jtc s LEU 135 CO 0.17 0.25 1.20 -0.81 0.23 0.00 0.00 176.35 177.40 1jtc n PRO 136 N 2.95 1.71 0.00 1.29 -0.04 -1.26 0.00 135.00 139.66 1jtc n PRO 136 Ca -0.18 0.60 0.15 0.00 -0.04 0.00 0.00 63.50 64.04 1jtc n PRO 136 Cb 0.53 -2.12 0.92 0.00 -0.04 0.00 0.00 33.50 32.79 1jtc n PRO 136 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74