#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtg h PRO 27 N 0.00 0.50 -0.69 1.57 0.11 -1.98 0.73 132.00 132.25 1jtg h PRO 27 Ca 0.00 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.10 1jtg h PRO 27 Cb 0.00 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 30.96 1jtg h PRO 27 CO 0.00 0.33 0.45 0.93 -0.21 0.00 0.00 178.00 179.51 1jtg h GLU 28 N 0.52 0.85 -0.55 1.05 3.07 -2.00 -1.58 114.58 115.94 1jtg h GLU 28 Ca 0.63 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.32 1jtg h GLU 28 Cb 1.20 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 1jtg h GLU 28 CO -0.50 0.56 -0.09 1.15 -1.40 0.00 0.00 179.01 178.73 1jtg h THR 29 N 0.87 1.27 -0.42 1.13 2.02 -1.17 -2.44 112.91 114.17 1jtg h THR 29 Ca 0.27 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 1jtg h THR 29 Cb -0.01 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1jtg h THR 29 CO -0.07 0.44 0.11 -0.07 0.37 0.00 0.00 175.52 176.30 1jtg h LEU 30 N 0.91 0.57 -0.65 2.58 3.38 -1.01 -0.13 115.31 120.97 1jtg h LEU 30 Ca 0.14 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1jtg h LEU 30 Cb 0.66 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1jtg h LEU 30 CO 0.05 0.57 -0.03 0.58 0.09 0.00 0.00 178.44 179.69 1jtg h VAL 31 N 0.61 1.26 -0.58 1.22 2.07 -1.09 -0.68 116.25 119.06 1jtg h VAL 31 Ca 0.14 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 1jtg h VAL 31 Cb 0.22 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1jtg h VAL 31 CO -0.00 0.42 -0.02 0.50 0.02 0.00 0.00 177.57 178.49 1jtg h LYS 32 N 0.93 1.03 -0.39 1.57 1.63 -0.85 0.93 116.57 121.42 1jtg h LYS 32 Ca 0.16 -0.33 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1jtg h LYS 32 Cb 0.58 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1jtg h LYS 32 CO 0.03 1.02 0.16 0.28 -3.45 0.00 0.00 179.45 177.49 1jtg h VAL 33 N 0.94 1.19 -0.71 2.00 2.07 -0.79 0.15 116.25 121.10 1jtg h VAL 33 Ca 0.16 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1jtg h VAL 33 Cb 0.57 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1jtg h VAL 33 CO 0.03 0.21 0.23 0.50 0.02 0.00 0.00 177.57 178.56 1jtg h LYS 34 N 0.49 1.10 -0.52 1.57 1.63 -0.94 -2.19 116.57 117.71 1jtg h LYS 34 Ca 0.13 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1jtg h LYS 34 Cb 0.18 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1jtg h LYS 34 CO -0.01 0.94 0.34 0.22 -3.45 0.00 0.00 179.45 177.49 1jtg h ASP 35 N 1.04 0.59 -0.99 4.20 3.58 -0.35 -2.19 116.42 122.30 1jtg h ASP 35 Ca 0.23 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.76 1jtg h ASP 35 Cb 0.29 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.12 1jtg h ASP 35 CO -0.01 0.43 0.63 0.00 -2.88 0.00 0.00 179.24 177.41 1jtg h ALA 36 N 1.19 1.49 -0.81 -0.78 0.00 -0.12 -1.18 119.26 119.05 1jtg h ALA 36 Ca 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1jtg h ALA 36 Cb -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1jtg h ALA 36 CO -0.04 0.31 0.41 0.93 0.00 0.00 0.00 179.25 180.86 1jtg h GLU 37 N 1.06 1.16 -0.34 0.00 5.08 -0.84 0.75 114.58 121.44 1jtg h GLU 37 Ca 0.46 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1jtg h GLU 37 Cb 0.34 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1jtg h GLU 37 CO -0.21 0.88 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.21 1jtg h ASP 38 N 1.14 0.61 -0.14 1.42 3.32 -1.01 0.04 116.42 121.81 1jtg h ASP 38 Ca 0.28 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 1jtg h ASP 38 Cb 0.08 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1jtg h ASP 38 CO -0.04 0.79 -0.54 1.56 -1.72 0.00 0.00 179.24 179.29 1jtg h GLN 39 N 0.42 0.72 0.00 3.56 4.20 -1.01 -3.20 115.11 119.81 1jtg h GLN 39 Ca 0.09 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.30 1jtg h GLN 39 Cb 0.49 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1jtg h GLN 39 CO 0.02 1.08 -0.73 -0.07 -0.67 0.00 0.00 178.83 178.46 1jtg h LEU 40 N 0.56 0.00 -0.61 1.46 3.38 -0.89 -3.48 115.31 115.72 1jtg h LEU 40 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1jtg h LEU 40 Cb 1.11 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.93 1jtg h LEU 40 CO 0.11 0.22 -0.37 0.61 0.09 0.00 0.00 178.44 179.11 1jtg n GLY 41 N 1.21 0.09 3.48 0.83 0.00 -0.02 -4.16 105.19 106.63 1jtg n GLY 41 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1jtg n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jtg s ALA 42 N -3.11 0.65 0.16 4.61 0.00 -1.07 -4.57 121.76 118.43 1jtg s ALA 42 Ca 0.29 -1.43 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1jtg s ALA 42 Cb -0.13 1.16 -0.07 0.00 0.00 0.00 0.00 23.12 24.08 1jtg s ALA 42 CO 0.36 -0.78 0.60 1.03 0.00 0.00 0.00 175.76 176.97 1jtg s ARG 43 N -3.29 4.08 -0.06 0.00 0.52 -1.19 -4.47 118.95 114.54 1jtg s ARG 43 Ca 0.30 0.63 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 1jtg s ARG 43 Cb 0.00 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.54 1jtg s ARG 43 CO 0.18 0.47 -0.12 0.08 0.02 0.00 0.00 175.30 175.93 1jtg s VAL 44 N -1.45 1.07 -0.07 3.52 1.01 -1.26 -2.68 120.40 120.54 1jtg s VAL 44 Ca 0.38 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1jtg s VAL 44 Cb -0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1jtg s VAL 44 CO 0.20 0.34 -0.12 -0.83 0.00 0.00 0.00 175.10 174.68 1jtg s GLY 45 N 0.59 1.58 -0.08 4.51 0.00 0.84 -4.63 107.32 110.13 1jtg s GLY 45 Ca -0.13 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1jtg s GLY 45 CO 0.03 -0.62 0.21 -0.47 0.00 0.00 0.00 173.10 172.24 1jtg s TYR 46 N -0.54 -0.23 -0.11 1.90 5.04 0.09 -1.36 117.35 122.14 1jtg s TYR 46 Ca 0.07 0.57 -0.09 0.00 -2.44 0.00 0.00 57.07 55.18 1jtg s TYR 46 Cb -0.12 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.29 1jtg s TYR 46 CO 0.02 -0.12 0.28 -1.50 -1.34 0.00 0.00 175.55 172.89 1jtg s ILE 47 N 0.28 -0.00 -0.14 3.14 1.10 -0.75 -0.70 121.20 124.13 1jtg s ILE 47 Ca -0.01 0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 1jtg s ILE 47 Cb -0.03 -0.40 0.02 0.00 0.15 0.00 0.00 42.46 42.20 1jtg s ILE 47 CO -0.01 0.01 -0.16 -0.70 -2.11 0.00 0.00 174.94 171.97 1jtg s GLU 48 N 0.30 2.42 -0.04 3.50 2.12 -0.51 -1.53 118.70 124.96 1jtg s GLU 48 Ca -0.01 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.75 1jtg s GLU 48 Cb -0.03 -2.13 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 1jtg s GLU 48 CO -0.01 -0.16 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.20 1jtg s LEU 49 N 1.25 1.96 -0.04 2.70 2.96 0.27 -0.99 118.68 126.79 1jtg s LEU 49 Ca 0.00 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 1jtg s LEU 49 Cb -0.14 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1jtg s LEU 49 CO -0.07 0.18 1.31 -0.62 -1.32 0.00 0.00 176.35 175.83 1jtg s ASP 50 N -0.10 6.94 0.24 3.68 -1.08 -0.08 -0.64 116.67 125.63 1jtg s ASP 50 Ca -0.01 1.95 -0.04 0.00 -0.52 0.00 0.00 52.55 53.93 1jtg s ASP 50 Cb -0.11 -2.56 0.27 0.00 -1.46 0.00 0.00 42.92 39.06 1jtg s ASP 50 CO 0.02 -0.67 1.74 0.25 0.52 0.00 0.00 175.17 177.02 1jtg h LEU 51 N 8.47 0.85 0.13 -1.34 5.85 -1.44 0.17 115.31 127.99 1jtg h LEU 51 Ca -0.35 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1jtg h LEU 51 Cb 1.16 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1jtg h LEU 51 CO 0.90 0.90 -0.06 0.78 -0.34 0.00 0.00 178.44 180.62 1jtg h ASN 52 N 0.82 -0.14 0.99 1.25 2.35 -1.92 -3.37 115.58 115.56 1jtg h ASN 52 Ca 0.16 -0.41 -0.20 0.00 -0.55 0.00 0.00 56.30 55.30 1jtg h ASN 52 Cb 0.46 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 1jtg h ASN 52 CO 0.02 0.45 -1.06 0.77 -1.65 0.00 0.00 177.43 175.96 1jtg h SER 53 N -0.85 0.00 0.00 5.81 4.64 -1.95 -3.47 113.55 117.72 1jtg h SER 53 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1jtg h SER 53 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1jtg h SER 53 CO 0.03 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1jtg n GLY 54 N 1.36 0.51 3.74 -0.77 0.00 0.61 -5.02 105.19 105.63 1jtg n GLY 54 Ca -0.04 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1jtg n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jtg s LYS 55 N -0.40 4.77 -0.14 1.61 2.20 -1.25 -4.75 119.74 121.78 1jtg s LYS 55 Ca 0.00 1.45 -0.29 0.00 -0.36 0.00 0.00 55.97 56.77 1jtg s LYS 55 Cb 0.00 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1jtg s LYS 55 CO 0.00 0.39 1.17 0.42 -0.36 0.00 0.00 175.35 176.96 1jtg s ILE 56 N -0.66 4.42 -0.12 5.43 1.01 -1.26 -0.91 121.20 129.12 1jtg s ILE 56 Ca 0.43 1.72 0.06 0.00 0.00 0.00 0.00 60.65 62.86 1jtg s ILE 56 Cb -0.25 -4.11 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 1jtg s ILE 56 CO 0.31 -0.09 0.37 0.18 0.00 0.00 0.00 174.94 175.70 1jtg n LEU 57 N 5.96 1.59 -3.63 2.97 4.77 -0.16 -4.97 117.00 123.53 1jtg n LEU 57 Ca 0.12 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1jtg n LEU 57 Cb 0.46 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1jtg n LEU 57 CO 0.54 0.63 0.29 -0.70 -1.33 0.00 0.00 177.39 176.82 1jtg s GLU 58 N -2.56 0.82 0.09 3.23 2.56 -1.18 -4.59 118.70 117.07 1jtg s GLU 58 Ca -0.15 0.44 -0.19 0.00 0.00 0.00 0.00 54.97 55.07 1jtg s GLU 58 Cb 0.07 0.39 0.04 0.00 2.00 0.00 0.00 34.13 36.64 1jtg s GLU 58 CO 0.78 -0.19 0.46 -1.54 -0.56 0.00 0.00 175.26 174.21 1jtg s SER 59 N -0.52 -0.34 -0.21 -1.70 1.04 -1.26 -1.42 113.70 109.29 1jtg s SER 59 Ca -0.06 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1jtg s SER 59 Cb -0.03 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.66 1jtg s SER 59 CO 0.05 -0.80 0.47 0.12 0.98 0.00 0.00 173.24 174.06 1jtg s PHE 60 N -3.19 -0.84 -1.53 5.02 5.36 0.13 -4.88 117.98 118.04 1jtg s PHE 60 Ca -0.01 1.62 -0.10 0.00 -0.96 0.00 0.00 56.93 57.48 1jtg s PHE 60 Cb 0.00 0.39 0.08 0.00 -0.34 0.00 0.00 43.02 43.15 1jtg s PHE 60 CO -0.08 -0.48 0.76 0.54 -1.46 0.00 0.00 175.22 174.51 1jtg n ARG 61 N 5.04 -4.21 0.28 10.12 1.74 -1.26 -0.73 116.66 127.64 1jtg n ARG 61 Ca -0.13 0.49 0.16 0.00 -0.77 0.00 0.00 57.85 57.59 1jtg n ARG 61 Cb 0.52 -5.11 0.92 0.00 -1.02 0.00 0.00 32.46 27.77 1jtg n ARG 61 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1jtg h PRO 62 N -1.82 0.00 -0.26 5.56 0.13 -1.90 -2.89 132.00 130.81 1jtg h PRO 62 Ca -0.60 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.40 1jtg h PRO 62 Cb 1.38 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.43 1jtg h PRO 62 CO 0.68 0.00 -0.16 0.39 -0.23 0.00 0.00 178.00 178.68 1jtg n GLU 63 N -3.77 1.82 -4.12 0.86 1.02 -1.26 -1.73 120.64 113.45 1jtg n GLU 63 Ca -0.02 -3.18 -0.29 0.00 -0.02 0.00 0.00 57.16 53.65 1jtg n GLU 63 Cb 0.13 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 1jtg n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1jtg s GLU 64 N -3.22 2.63 0.28 3.49 2.02 -1.09 -5.02 118.70 117.79 1jtg s GLU 64 Ca 0.43 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 54.38 1jtg s GLU 64 Cb 0.39 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 1jtg s GLU 64 CO -0.01 0.52 0.75 1.03 0.02 0.00 0.00 175.26 177.56 1jtg s ARG 65 N -2.56 4.14 0.01 1.61 0.52 -1.26 -4.13 118.95 117.28 1jtg s ARG 65 Ca 0.27 0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 56.23 1jtg s ARG 65 Cb -0.11 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.72 1jtg s ARG 65 CO 0.20 0.26 0.09 -0.06 0.02 0.00 0.00 175.30 175.81 1jtg s PHE 66 N -1.77 0.10 0.28 -0.53 0.40 -0.50 -4.96 117.98 111.01 1jtg s PHE 66 Ca 0.49 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.28 1jtg s PHE 66 Cb -0.13 -0.09 -0.10 0.00 0.51 0.00 0.00 43.02 43.21 1jtg s PHE 66 CO 0.19 -0.26 1.38 -2.14 0.70 0.00 0.00 175.22 175.09 1jtg s PRO 67 N -1.41 4.30 0.15 0.24 0.02 -1.26 -1.42 135.00 135.62 1jtg s PRO 67 Ca -0.15 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.16 1jtg s PRO 67 Cb -0.08 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.27 1jtg s PRO 67 CO 0.01 -0.32 1.34 0.52 -0.33 0.00 0.00 177.00 178.21 1jtg h MET 68 N 4.32 0.16 0.00 5.54 2.86 -1.70 -3.46 114.93 122.66 1jtg h MET 68 Ca -0.47 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 1jtg h MET 68 Cb 1.22 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1jtg h MET 68 CO 0.72 0.99 0.00 -1.33 1.06 0.00 0.00 176.91 178.35 1jtg n MET 69 N -3.59 0.00 0.00 1.72 2.81 -1.26 -2.02 117.12 114.77 1jtg n MET 69 Ca -0.04 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.89 1jtg n MET 69 Cb 0.85 0.00 0.17 0.00 -0.71 0.00 0.00 33.22 33.53 1jtg n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1jtg n SER 70 N -2.72 0.00 0.31 7.83 7.64 -1.26 -2.51 113.62 122.90 1jtg n SER 70 Ca 0.00 0.35 0.19 0.00 1.01 0.00 0.00 58.87 60.43 1jtg n SER 70 Cb 0.00 -0.40 0.97 0.00 -1.01 0.00 0.00 64.21 63.76 1jtg n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1jtg h THR 71 N 0.00 0.10 0.00 0.44 1.35 -1.49 -1.35 112.91 111.96 1jtg h THR 71 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1jtg h THR 71 Cb 0.10 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1jtg h THR 71 CO 0.00 0.02 0.00 2.19 -0.25 0.00 0.00 175.52 177.48 1jtg h PHE 72 N 0.00 0.00 0.00 4.73 -5.15 -1.66 -2.93 116.94 111.93 1jtg h PHE 72 Ca -0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 1jtg h PHE 72 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.39 1jtg h PHE 72 CO 0.00 0.00 -0.09 0.87 -2.00 0.00 0.00 178.31 177.09 1jtg h LYS 73 N 0.00 0.00 -0.37 6.09 1.57 -1.49 -0.21 116.57 122.16 1jtg h LYS 73 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1jtg h LYS 73 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1jtg h LYS 73 CO 0.00 0.09 -0.21 0.28 -0.57 0.00 0.00 179.45 179.04 1jtg h VAL 74 N 0.00 1.28 -0.59 0.50 2.07 -1.73 -1.89 116.25 115.90 1jtg h VAL 74 Ca -0.00 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1jtg h VAL 74 Cb 0.24 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1jtg h VAL 74 CO 0.01 0.44 0.24 -0.07 0.02 0.00 0.00 177.57 178.22 1jtg h LEU 75 N 0.59 0.81 -0.05 2.57 3.38 -1.27 -0.74 115.31 120.59 1jtg h LEU 75 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jtg h LEU 75 Cb 0.76 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1jtg h LEU 75 CO 0.06 0.75 0.03 0.25 0.09 0.00 0.00 178.44 179.62 1jtg h LEU 76 N 0.81 0.06 -1.46 1.67 5.85 -1.15 -0.91 115.31 120.18 1jtg h LEU 76 Ca 0.20 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1jtg h LEU 76 Cb 0.19 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1jtg h LEU 76 CO -0.02 0.07 -0.13 0.00 -0.34 0.00 0.00 178.44 178.02 1jtg h GLY 78 N 1.72 1.04 1.31 0.00 0.00 -0.40 0.21 103.07 106.96 1jtg h GLY 78 Ca -0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1jtg h GLY 78 CO 0.02 0.78 -0.16 0.00 0.00 0.00 0.00 176.54 177.18 1jtg h ALA 79 N 0.90 0.92 -0.44 3.60 0.00 -0.45 -1.66 119.26 122.14 1jtg h ALA 79 Ca 0.13 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1jtg h ALA 79 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1jtg h ALA 79 CO 0.05 0.62 0.02 0.28 0.00 0.00 0.00 179.25 180.22 1jtg h VAL 80 N 0.72 1.26 -0.15 0.00 2.07 -1.05 -2.43 116.25 116.65 1jtg h VAL 80 Ca 0.11 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1jtg h VAL 80 Cb 0.66 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1jtg h VAL 80 CO 0.05 0.34 -0.19 -0.07 0.02 0.00 0.00 177.57 177.72 1jtg h LEU 81 N 0.60 0.25 -1.14 2.57 3.38 -0.76 -1.59 115.31 118.63 1jtg h LEU 81 Ca 0.13 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1jtg h LEU 81 Cb 0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1jtg h LEU 81 CO 0.02 0.46 -0.35 0.77 0.09 0.00 0.00 178.44 179.43 1jtg h SER 82 N 0.24 0.15 0.21 -0.43 4.64 -0.94 -0.19 113.55 117.23 1jtg h SER 82 Ca 0.04 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 1jtg h SER 82 Cb 0.48 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1jtg h SER 82 CO 0.03 0.50 -0.56 0.03 -0.87 0.00 0.00 176.83 175.95 1jtg h ARG 83 N 0.13 0.37 -0.26 4.77 3.08 -0.87 -1.93 114.38 119.68 1jtg h ARG 83 Ca 0.02 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 1jtg h ARG 83 Cb 0.68 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1jtg h ARG 83 CO 0.05 0.83 -0.03 0.82 -1.07 0.00 0.00 179.97 180.58 1jtg h ILE 84 N 0.28 1.27 -1.00 2.04 2.04 -0.74 0.26 117.51 121.67 1jtg h ILE 84 Ca 0.00 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 64.94 1jtg h ILE 84 Cb 1.07 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 1jtg h ILE 84 CO 0.09 0.31 0.64 0.44 0.00 0.00 0.00 178.15 179.64 1jtg h ASP 85 N 0.23 1.02 -0.03 1.72 3.45 -0.92 -0.80 116.42 121.09 1jtg h ASP 85 Ca 0.07 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1jtg h ASP 85 Cb 0.47 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1jtg h ASP 85 CO 0.02 0.64 0.00 0.00 -1.57 0.00 0.00 179.24 178.33 1jtg n ALA 86 N -2.37 2.58 -1.19 3.45 0.00 -0.74 -4.89 120.51 117.36 1jtg n ALA 86 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1jtg n ALA 86 Cb 0.20 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1jtg n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtg n GLY 87 N 0.80 0.87 0.66 0.00 0.00 -0.31 -4.90 105.19 102.32 1jtg n GLY 87 Ca 0.12 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1jtg n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jtg n GLN 88 N -2.50 1.64 -3.69 1.61 1.13 0.88 -4.97 117.38 111.48 1jtg n GLN 88 Ca -0.07 -1.33 -0.10 0.00 -1.94 0.00 0.00 57.00 53.56 1jtg n GLN 88 Cb 0.25 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.08 1jtg n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1jtg s GLU 89 N -2.28 1.00 -0.03 -1.09 2.56 -1.11 -4.90 118.70 112.85 1jtg s GLU 89 Ca 0.23 -0.73 0.02 0.00 0.00 0.00 0.00 54.97 54.50 1jtg s GLU 89 Cb 0.19 0.43 0.00 0.00 2.00 0.00 0.00 34.13 36.76 1jtg s GLU 89 CO 0.46 -0.37 -0.09 -0.65 -0.56 0.00 0.00 175.26 174.05 1jtg s GLN 90 N -3.67 1.00 0.42 4.30 -1.52 -1.26 -4.26 119.66 114.66 1jtg s GLN 90 Ca 0.02 -0.31 0.09 0.00 -1.95 0.00 0.00 55.36 53.21 1jtg s GLN 90 Cb 0.02 -0.93 0.92 0.00 -0.22 0.00 0.00 33.01 32.81 1jtg s GLN 90 CO -0.11 0.11 2.06 -0.07 -0.25 0.00 0.00 175.29 177.03 1jtg h LEU 91 N 6.42 0.41 -1.18 2.90 3.38 -1.97 -2.59 115.31 122.68 1jtg h LEU 91 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1jtg h LEU 91 Cb 1.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jtg h LEU 91 CO 0.49 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1jtg n GLY 92 N -1.49 0.46 3.69 0.83 0.00 -1.26 -1.40 105.19 106.01 1jtg n GLY 92 Ca 0.03 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1jtg n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jtg s ARG 93 N -1.65 4.33 0.00 1.61 3.52 -0.98 -4.83 118.95 120.96 1jtg s ARG 93 Ca 0.27 1.77 -0.23 0.00 -0.13 0.00 0.00 55.73 57.40 1jtg s ARG 93 Cb 0.14 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 1jtg s ARG 93 CO 0.20 -0.49 0.69 0.50 -0.81 0.00 0.00 175.30 175.40 1jtg s ARG 94 N 2.26 4.42 -0.20 5.12 3.52 -1.26 -1.46 118.95 131.36 1jtg s ARG 94 Ca 0.58 0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 57.04 1jtg s ARG 94 Cb -0.27 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1jtg s ARG 94 CO 0.23 0.26 0.02 0.42 -0.81 0.00 0.00 175.30 175.43 1jtg s ILE 95 N 0.09 4.15 -0.27 4.11 1.01 0.11 -4.93 121.20 125.47 1jtg s ILE 95 Ca 0.36 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 1jtg s ILE 95 Cb -0.19 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1jtg s ILE 95 CO 0.20 0.42 0.15 -1.00 0.00 0.00 0.00 174.94 174.71 1jtg s HIS 96 N 0.94 3.17 0.27 3.97 3.76 -1.26 -1.74 115.29 124.39 1jtg s HIS 96 Ca 0.02 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1jtg s HIS 96 Cb -0.14 -2.33 -0.00 0.00 1.11 0.00 0.00 32.58 31.21 1jtg s HIS 96 CO 0.02 -0.25 0.01 2.48 -0.85 0.00 0.00 174.74 176.15 1jtg n TYR 97 N 5.01 0.56 -3.98 1.40 4.11 -1.26 -5.07 117.16 117.93 1jtg n TYR 97 Ca -0.15 -1.35 -0.10 0.00 -0.00 0.00 0.00 57.90 56.31 1jtg n TYR 97 Cb 0.52 -0.16 -0.03 0.00 -0.00 0.00 0.00 39.34 39.67 1jtg n TYR 97 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1jtg n SER 98 N -1.24 -0.67 -0.20 9.48 3.41 -1.26 -4.93 113.62 118.21 1jtg n SER 98 Ca -0.10 -2.20 0.17 0.00 -0.26 0.00 0.00 58.87 56.48 1jtg n SER 98 Cb 0.34 1.32 0.50 0.00 -0.26 0.00 0.00 64.21 66.11 1jtg n SER 98 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1jtg h GLN 99 N 0.00 0.42 0.00 4.33 7.50 -1.99 -0.32 115.11 125.05 1jtg h GLN 99 Ca -0.15 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 1jtg h GLN 99 Cb 0.71 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.15 1jtg h GLN 99 CO 0.21 0.28 -0.00 -0.97 -1.50 0.00 0.00 178.83 176.85 1jtg h ASN 100 N 0.43 0.00 1.38 1.46 -0.00 -2.05 -2.52 115.58 114.28 1jtg h ASN 100 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 1jtg h ASN 100 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.28 1jtg h ASN 100 CO -0.15 0.00 -0.45 0.44 -0.00 0.00 0.00 177.43 177.28 1jtg h ASP 101 N 0.00 0.00 -3.38 1.15 3.32 -1.45 -3.47 116.42 112.58 1jtg h ASP 101 Ca -0.00 -0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.48 1jtg h ASP 101 Cb 0.01 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.60 1jtg h ASP 101 CO 0.00 0.02 0.70 -0.76 -1.72 0.00 0.00 179.24 177.48 1jtg s LEU 102 N -5.32 4.40 0.29 1.55 1.43 -0.95 -4.83 118.68 115.24 1jtg s LEU 102 Ca 0.05 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 55.70 1jtg s LEU 102 Cb 0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1jtg s LEU 102 CO 0.71 -0.61 0.09 0.68 0.23 0.00 0.00 176.35 177.45 1jtg s VAL 103 N 0.05 0.79 0.25 -1.59 -7.23 -1.26 -5.07 120.40 106.35 1jtg s VAL 103 Ca 0.58 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 1jtg s VAL 103 Cb -0.39 -2.68 -0.15 0.00 0.56 0.00 0.00 36.38 33.72 1jtg s VAL 103 CO 0.41 0.00 1.04 1.21 -0.31 0.00 0.00 175.10 177.45 1jtg n GLU 104 N -0.57 1.27 -2.52 4.82 2.13 -1.26 -3.68 120.64 120.83 1jtg n GLU 104 Ca -0.01 0.45 -0.05 0.00 0.66 0.00 0.00 57.16 58.21 1jtg n GLU 104 Cb 0.66 -1.85 0.02 0.00 0.27 0.00 0.00 31.44 30.55 1jtg n GLU 104 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jtg n TYR 105 N 0.61 -1.67 -3.13 4.31 4.02 -1.26 -4.52 117.16 115.52 1jtg n TYR 105 Ca 0.11 0.61 -0.22 0.00 -0.01 0.00 0.00 57.90 58.40 1jtg n TYR 105 Cb 0.30 -3.32 -0.04 0.00 -0.02 0.00 0.00 39.34 36.26 1jtg n TYR 105 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1jtg n SER 106 N -2.05 2.04 -0.24 7.72 7.64 -1.24 -0.72 113.62 126.77 1jtg n SER 106 Ca -0.02 -3.21 -0.02 0.00 1.01 0.00 0.00 58.87 56.63 1jtg n SER 106 Cb 0.54 -0.61 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 1jtg n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jtg h PRO 107 N 3.16 0.76 0.13 1.43 0.13 -1.93 -1.26 132.00 134.43 1jtg h PRO 107 Ca 0.11 -0.05 -0.26 0.00 -0.87 0.00 0.00 66.00 64.94 1jtg h PRO 107 Cb 0.80 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.76 1jtg h PRO 107 CO 0.61 0.50 -1.29 0.28 -0.23 0.00 0.00 178.00 177.88 1jtg h VAL 108 N 0.78 1.15 -0.20 1.56 2.07 -1.95 -3.22 116.25 116.45 1jtg h VAL 108 Ca 0.29 -2.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.29 1jtg h VAL 108 Cb 0.10 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1jtg h VAL 108 CO -0.14 0.72 -0.21 0.71 0.02 0.00 0.00 177.57 178.66 1jtg h THR 109 N -0.28 1.24 -0.36 2.57 1.35 -1.97 -2.14 112.91 113.31 1jtg h THR 109 Ca -0.27 -1.10 -0.08 0.00 -0.55 0.00 0.00 66.41 64.42 1jtg h THR 109 Cb 1.77 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.49 1jtg h THR 109 CO 0.10 0.34 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.54 1jtg h GLU 110 N 0.32 0.62 -0.41 4.72 4.22 -1.35 -2.52 114.58 120.18 1jtg h GLU 110 Ca 0.05 -0.18 -0.09 0.00 0.08 0.00 0.00 59.36 59.23 1jtg h GLU 110 Cb 0.56 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1jtg h GLU 110 CO 0.04 0.71 -0.11 -0.22 -2.18 0.00 0.00 179.01 177.25 1jtg h LYS 111 N 0.57 0.73 -0.62 1.92 3.11 -1.42 -3.05 116.57 117.82 1jtg h LYS 111 Ca 0.11 -0.23 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1jtg h LYS 111 Cb 0.50 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1jtg h LYS 111 CO 0.03 0.81 0.00 0.72 -2.81 0.00 0.00 179.45 178.20 1jtg n HIS 112 N -4.17 1.16 -0.34 1.91 8.25 -0.88 -4.57 115.22 116.58 1jtg n HIS 112 Ca 0.01 -0.46 0.17 0.00 -0.26 0.00 0.00 57.72 57.18 1jtg n HIS 112 Cb 0.36 -0.21 0.39 0.00 1.12 0.00 0.00 29.99 31.65 1jtg n HIS 112 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1jtg h LEU 113 N 3.14 0.67 0.00 2.41 5.85 -1.34 -0.10 115.31 125.95 1jtg h LEU 113 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1jtg h LEU 113 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1jtg h LEU 113 CO 0.19 0.16 -0.49 0.35 -0.34 0.00 0.00 178.44 178.30 1jtg n THR 114 N -4.80 0.24 -0.01 1.05 -2.24 -1.26 -4.09 114.28 103.16 1jtg n THR 114 Ca 0.25 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1jtg n THR 114 Cb 0.71 -0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 1jtg n THR 114 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jtg n ASP 115 N -1.90 0.15 -0.02 3.42 8.00 -0.24 -5.10 116.55 120.86 1jtg n ASP 115 Ca 0.04 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1jtg n ASP 115 Cb 0.40 1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 43.02 1jtg n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtg n GLY 116 N 1.36 -1.72 3.13 0.44 0.00 -0.22 -4.99 105.19 103.19 1jtg n GLY 116 Ca -0.10 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1jtg n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jtg s MET 117 N -1.68 0.43 0.73 1.61 -1.94 -0.71 -4.87 119.30 112.87 1jtg s MET 117 Ca 0.00 -0.10 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 1jtg s MET 117 Cb 0.00 0.19 0.03 0.00 2.01 0.00 0.00 34.83 37.06 1jtg s MET 117 CO 0.00 -0.10 1.11 0.95 -0.01 0.00 0.00 175.02 176.98 1jtg s THR 118 N -0.83 3.18 0.22 2.05 -4.23 -1.26 0.05 115.64 114.83 1jtg s THR 118 Ca -0.09 0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.72 1jtg s THR 118 Cb -0.05 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.58 1jtg s THR 118 CO 0.02 -0.50 1.85 0.58 -0.54 0.00 0.00 174.62 176.03 1jtg h VAL 119 N -0.74 1.08 -0.26 2.29 2.07 -1.12 -0.26 116.25 119.31 1jtg h VAL 119 Ca -0.45 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1jtg h VAL 119 Cb 1.27 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1jtg h VAL 119 CO 0.64 0.17 0.16 -0.09 0.02 0.00 0.00 177.57 178.47 1jtg h ARG 120 N 0.92 0.32 -0.49 1.57 2.43 -1.52 -1.57 114.38 116.03 1jtg h ARG 120 Ca 0.32 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1jtg h ARG 120 Cb 0.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1jtg h ARG 120 CO -0.13 0.21 0.18 0.93 -1.51 0.00 0.00 179.97 179.66 1jtg h GLU 121 N 0.33 0.71 -0.41 0.20 5.08 -1.65 -1.12 114.58 117.72 1jtg h GLU 121 Ca 0.10 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1jtg h GLU 121 Cb -0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1jtg h GLU 121 CO -0.04 0.60 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.24 1jtg h LEU 122 N 0.71 0.94 -0.60 1.33 3.38 -0.63 0.43 115.31 120.87 1jtg h LEU 122 Ca 0.17 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 1jtg h LEU 122 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1jtg h LEU 122 CO -0.01 1.16 -0.42 0.00 0.09 0.00 0.00 178.44 179.25 1jtg h SER 124 N 0.51 0.73 -0.51 0.00 0.87 -1.06 -0.89 113.55 113.21 1jtg h SER 124 Ca 0.04 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1jtg h SER 124 Cb 0.95 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1jtg h SER 124 CO 0.09 0.68 0.01 0.00 -0.53 0.00 0.00 176.83 177.07 1jtg h ALA 125 N 1.08 0.97 -0.38 6.23 0.00 -0.57 0.60 119.26 127.19 1jtg h ALA 125 Ca 0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1jtg h ALA 125 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jtg h ALA 125 CO -0.02 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.63 1jtg h ALA 126 N 1.13 0.55 0.14 0.00 0.00 -0.76 -1.41 119.26 118.90 1jtg h ALA 126 Ca 0.16 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1jtg h ALA 126 Cb 0.50 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jtg h ALA 126 CO 0.02 0.52 -1.07 0.82 0.00 0.00 0.00 179.25 179.54 1jtg h ILE 127 N 0.63 1.32 0.03 0.00 2.04 -1.05 -2.31 117.51 118.17 1jtg h ILE 127 Ca 0.08 -2.50 -0.25 0.00 1.00 0.00 0.00 64.86 63.19 1jtg h ILE 127 Cb 0.79 3.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.85 1jtg h ILE 127 CO 0.06 0.72 -1.29 0.71 0.00 0.00 0.00 178.15 178.35 1jtg h THR 128 N -0.32 1.38 -0.12 -0.27 1.35 -0.99 -3.36 112.91 110.58 1jtg h THR 128 Ca -0.21 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.55 1jtg h THR 128 Cb 1.72 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.87 1jtg h THR 128 CO 0.13 0.82 0.00 0.23 -0.25 0.00 0.00 175.52 176.44 1jtg n MET 129 N -3.30 2.06 -3.79 4.72 2.81 -0.59 -4.38 117.12 114.65 1jtg n MET 129 Ca -0.08 -1.51 -0.29 0.00 -1.81 0.00 0.00 57.70 54.01 1jtg n MET 129 Cb 0.99 -1.12 -0.00 0.00 -0.71 0.00 0.00 33.22 32.38 1jtg n MET 129 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1jtg n SER 130 N 0.08 -3.98 -4.65 7.83 7.64 -0.87 -4.87 113.62 114.80 1jtg n SER 130 Ca 0.05 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.81 1jtg n SER 130 Cb 0.28 -3.24 -0.03 0.00 -1.01 0.00 0.00 64.21 60.22 1jtg n SER 130 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jtg s ASP 131 N -3.06 6.60 0.13 6.43 2.15 -0.86 -4.88 116.67 123.18 1jtg s ASP 131 Ca 0.59 2.09 -0.09 0.00 0.43 0.00 0.00 52.55 55.57 1jtg s ASP 131 Cb -0.31 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 39.71 1jtg s ASP 131 CO 0.72 -1.00 1.38 0.78 -0.17 0.00 0.00 175.17 176.88 1jtg h ASN 132 N 9.81 0.83 -0.40 -0.34 -0.26 -1.15 -2.84 115.58 121.23 1jtg h ASN 132 Ca -0.38 -0.51 -0.09 0.00 -0.56 0.00 0.00 56.30 54.76 1jtg h ASN 132 Cb 1.17 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 38.17 1jtg h ASN 132 CO 0.96 1.29 -0.08 0.74 -1.06 0.00 0.00 177.43 179.28 1jtg h THR 133 N 0.52 1.26 -0.49 2.81 2.02 -1.83 -2.06 112.91 115.14 1jtg h THR 133 Ca -0.02 -1.15 0.04 0.00 0.77 0.00 0.00 66.41 66.05 1jtg h THR 133 Cb 1.29 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1jtg h THR 133 CO 0.14 0.40 0.25 0.00 0.37 0.00 0.00 175.52 176.68 1jtg h ALA 134 N 1.14 0.62 -0.66 6.16 0.00 -1.88 0.24 119.26 124.89 1jtg h ALA 134 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jtg h ALA 134 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jtg h ALA 134 CO 0.04 -0.10 0.40 0.00 0.00 0.00 0.00 179.25 179.59 1jtg h ALA 135 N 1.26 0.84 -0.54 0.00 0.00 -1.22 -1.83 119.26 117.78 1jtg h ALA 135 Ca 0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1jtg h ALA 135 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1jtg h ALA 135 CO -0.15 0.31 0.10 -0.91 0.00 0.00 0.00 179.25 178.60 1jtg h ASN 136 N 0.90 0.85 -0.76 0.00 2.35 -0.79 0.28 115.58 118.41 1jtg h ASN 136 Ca 0.24 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1jtg h ASN 136 Cb -0.04 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1jtg h ASN 136 CO -0.05 0.89 0.48 -0.07 -1.65 0.00 0.00 177.43 177.03 1jtg h LEU 137 N 0.78 0.89 -0.65 1.61 3.38 -0.75 -0.86 115.31 119.70 1jtg h LEU 137 Ca 0.17 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1jtg h LEU 137 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jtg h LEU 137 CO 0.01 0.67 -0.17 -0.07 0.09 0.00 0.00 178.44 178.97 1jtg h LEU 138 N 1.03 0.89 -1.05 1.67 3.38 -1.13 -2.68 115.31 117.42 1jtg h LEU 138 Ca 0.27 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jtg h LEU 138 Cb -0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1jtg h LEU 138 CO -0.06 1.05 0.36 -0.07 0.09 0.00 0.00 178.44 179.81 1jtg h LEU 139 N 0.78 0.94 -0.78 1.67 3.38 -0.45 -1.98 115.31 118.86 1jtg h LEU 139 Ca 0.12 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1jtg h LEU 139 Cb 0.70 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1jtg h LEU 139 CO 0.05 0.78 0.51 0.74 0.09 0.00 0.00 178.44 180.62 1jtg h THR 140 N 1.03 1.16 0.00 0.22 2.02 -0.87 0.14 112.91 116.62 1jtg h THR 140 Ca 0.26 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jtg h THR 140 Cb 0.09 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1jtg h THR 140 CO -0.04 0.19 -0.05 0.71 0.37 0.00 0.00 175.52 176.70 1jtg h THR 141 N 1.02 0.59 -0.02 3.16 1.35 -1.04 -2.63 112.91 115.34 1jtg h THR 141 Ca 0.30 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1jtg h THR 141 Cb -0.06 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1jtg h THR 141 CO -0.08 0.05 -0.34 2.30 -0.25 0.00 0.00 175.52 177.20 1jtg n ILE 142 N -3.82 0.00 0.00 6.82 -5.35 -0.86 -4.96 119.36 111.19 1jtg n ILE 142 Ca -0.03 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1jtg n ILE 142 Cb 0.15 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1jtg n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jtg n GLY 143 N 1.34 1.11 0.00 3.28 0.00 -0.91 -4.79 105.19 105.21 1jtg n GLY 143 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jtg n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtg n GLY 144 N -1.12 0.22 0.27 -0.02 0.00 0.44 -4.37 105.19 100.61 1jtg n GLY 144 Ca 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.15 1jtg n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jtg h PRO 145 N 0.00 0.23 -0.86 1.61 0.11 -1.86 -1.11 132.00 130.12 1jtg h PRO 145 Ca 0.00 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.14 1jtg h PRO 145 Cb 0.00 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.01 1jtg h PRO 145 CO 0.00 0.15 0.56 1.57 -0.21 0.00 0.00 178.00 180.08 1jtg h LYS 146 N 0.24 0.99 -0.03 1.05 2.10 -1.83 -0.83 116.57 118.26 1jtg h LYS 146 Ca 0.43 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 58.87 1jtg h LYS 146 Cb 0.75 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 31.84 1jtg h LYS 146 CO -0.54 0.66 -0.64 0.93 -2.00 0.00 0.00 179.45 177.85 1jtg h GLU 147 N 1.02 0.13 -0.41 0.07 4.39 -1.42 -1.55 114.58 116.81 1jtg h GLU 147 Ca 0.35 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 1jtg h GLU 147 Cb 0.10 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1jtg h GLU 147 CO -0.11 0.72 -0.14 1.25 -1.16 0.00 0.00 179.01 179.57 1jtg h LEU 148 N 0.09 0.83 -0.68 1.33 5.85 -0.69 -1.79 115.31 120.25 1jtg h LEU 148 Ca -0.01 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1jtg h LEU 148 Cb 1.15 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1jtg h LEU 148 CO 0.09 1.02 0.39 0.74 -0.34 0.00 0.00 178.44 180.35 1jtg h THR 149 N 0.63 1.20 -0.78 1.05 2.02 -1.02 -1.48 112.91 114.54 1jtg h THR 149 Ca 0.10 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1jtg h THR 149 Cb 0.68 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1jtg h THR 149 CO 0.05 0.22 0.49 0.00 0.37 0.00 0.00 175.52 176.64 1jtg h ALA 150 N 1.20 0.99 -0.72 6.16 0.00 -1.16 -1.23 119.26 124.51 1jtg h ALA 150 Ca 0.24 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jtg h ALA 150 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1jtg h ALA 150 CO -0.04 0.43 0.46 0.35 0.00 0.00 0.00 179.25 180.45 1jtg h PHE 151 N 1.06 0.86 -0.42 0.00 3.57 -0.84 -1.94 116.94 119.23 1jtg h PHE 151 Ca 0.28 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1jtg h PHE 151 Cb -0.07 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 1jtg h PHE 151 CO -0.01 0.50 0.10 -0.07 -2.23 0.00 0.00 178.31 176.60 1jtg h LEU 152 N 0.90 0.64 -0.73 0.59 3.38 -0.57 -2.61 115.31 116.91 1jtg h LEU 152 Ca 0.28 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1jtg h LEU 152 Cb -0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 1jtg h LEU 152 CO -0.10 0.71 0.42 -0.74 0.09 0.00 0.00 178.44 178.82 1jtg h HIS 153 N 0.54 0.77 -0.29 1.13 2.76 -0.92 -1.30 115.15 117.85 1jtg h HIS 153 Ca 0.13 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1jtg h HIS 153 Cb 0.32 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1jtg h HIS 153 CO 0.02 0.36 0.19 -0.91 -1.30 0.00 0.00 177.93 176.29 1jtg h ASN 154 N 0.76 0.28 -0.33 3.26 4.21 -1.05 -1.06 115.58 121.65 1jtg h ASN 154 Ca 0.33 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1jtg h ASN 154 Cb 0.21 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1jtg h ASN 154 CO -0.19 0.20 0.00 1.15 -1.29 0.00 0.00 177.43 177.30 1jtg n MET 155 N -4.49 1.89 0.00 0.81 0.00 -0.64 -4.91 117.12 109.78 1jtg n MET 155 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 57.70 56.35 1jtg n MET 155 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 31.99 1jtg n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jtg n GLY 156 N 1.15 0.59 3.40 3.17 0.00 -0.40 -5.05 105.19 108.03 1jtg n GLY 156 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1jtg n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jtg s ASP 157 N -2.24 6.19 0.00 1.61 -1.08 -0.59 -4.88 116.67 115.69 1jtg s ASP 157 Ca 0.00 -1.26 0.23 0.00 -0.52 0.00 0.00 52.55 51.00 1jtg s ASP 157 Cb 0.00 -2.26 0.53 0.00 -1.46 0.00 0.00 42.92 39.73 1jtg s ASP 157 CO 0.00 -0.91 1.45 1.41 0.52 0.00 0.00 175.17 177.64 1jtg n HIS 158 N 5.91 0.30 -0.08 -5.34 8.25 -1.26 -2.78 115.22 120.23 1jtg n HIS 158 Ca -0.10 -0.15 -0.13 0.00 -0.26 0.00 0.00 57.72 57.08 1jtg n HIS 158 Cb 0.43 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 1jtg n HIS 158 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1jtg n VAL 159 N 1.02 0.87 -1.83 1.59 3.14 -1.26 -5.01 118.33 116.85 1jtg n VAL 159 Ca 0.18 -0.29 -0.42 0.00 -2.96 0.00 0.00 64.34 60.85 1jtg n VAL 159 Cb 0.50 -1.30 -0.03 0.00 -1.06 0.00 0.00 33.84 31.95 1jtg n VAL 159 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1jtg s THR 160 N -2.30 2.27 -0.01 1.55 2.01 -1.26 -4.82 115.64 113.09 1jtg s THR 160 Ca -0.21 0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1jtg s THR 160 Cb 0.07 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1jtg s THR 160 CO 0.32 0.02 0.01 0.00 -0.69 0.00 0.00 174.62 174.28 1jtg s ARG 161 N 0.63 -0.01 -0.11 4.92 1.70 -0.75 -4.88 118.95 120.45 1jtg s ARG 161 Ca 0.69 0.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.01 1jtg s ARG 161 Cb -0.47 -0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 33.82 1jtg s ARG 161 CO 0.36 -0.05 -0.12 -1.17 -1.08 0.00 0.00 175.30 173.25 1jtg s LEU 162 N 0.31 2.81 0.00 -1.89 2.96 -1.26 -2.55 118.68 119.06 1jtg s LEU 162 Ca -0.03 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1jtg s LEU 162 Cb -0.04 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1jtg s LEU 162 CO -0.01 0.23 0.00 0.47 -1.32 0.00 0.00 176.35 175.72 1jtg n ASP 163 N 3.12 4.36 -4.49 3.68 9.92 -1.26 -4.24 116.55 127.64 1jtg n ASP 163 Ca -0.18 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.79 1jtg n ASP 163 Cb 0.53 0.51 -0.08 0.00 -0.64 0.00 0.00 41.12 41.43 1jtg n ASP 163 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1jtg s ARG 164 N -1.85 2.05 0.53 -1.24 0.52 -1.26 -4.85 118.95 112.85 1jtg s ARG 164 Ca 0.00 -2.27 0.09 0.00 -0.52 0.00 0.00 55.73 53.03 1jtg s ARG 164 Cb 0.00 -1.15 0.06 0.00 0.52 0.00 0.00 34.95 34.38 1jtg s ARG 164 CO 0.00 -0.37 0.66 -1.58 0.02 0.00 0.00 175.30 174.02 1jtg s TRP 165 N -3.01 1.76 0.33 -0.53 0.52 -1.26 -4.75 118.94 112.00 1jtg s TRP 165 Ca 0.16 -0.68 -0.26 0.00 0.02 0.00 0.00 56.10 55.34 1jtg s TRP 165 Cb 0.03 -2.18 -0.10 0.00 -1.15 0.00 0.00 33.47 30.07 1jtg s TRP 165 CO 0.09 -0.84 0.98 -1.21 0.02 0.00 0.00 176.95 175.99 1jtg s GLU 166 N -4.51 4.52 0.00 4.98 0.41 -1.26 -1.82 118.70 121.02 1jtg s GLU 166 Ca 0.55 1.42 0.25 0.00 -0.41 0.00 0.00 54.97 56.77 1jtg s GLU 166 Cb -0.06 -2.81 0.35 0.00 -1.78 0.00 0.00 34.13 29.84 1jtg s GLU 166 CO 0.34 0.20 1.33 -0.35 -0.49 0.00 0.00 175.26 176.29 1jtg n PRO 167 N 0.54 1.46 -0.10 0.39 -0.04 -1.26 -4.91 135.00 131.08 1jtg n PRO 167 Ca 0.02 -1.11 0.20 0.00 -0.04 0.00 0.00 63.50 62.57 1jtg n PRO 167 Cb 0.49 -1.48 0.62 0.00 -0.04 0.00 0.00 33.50 33.10 1jtg n PRO 167 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jtg h GLU 168 N 2.71 0.17 0.00 0.54 3.07 -1.87 -2.35 114.58 116.83 1jtg h GLU 168 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1jtg h GLU 168 Cb 0.73 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1jtg h GLU 168 CO 0.00 0.11 0.00 1.47 -1.40 0.00 0.00 179.01 179.19 1jtg n LEU 169 N -4.41 0.00 -0.88 1.33 -0.00 -0.76 -1.99 117.00 110.30 1jtg n LEU 169 Ca 0.13 0.40 0.10 0.00 -0.00 0.00 0.00 56.01 56.65 1jtg n LEU 169 Cb 0.64 -0.40 0.28 0.00 -0.00 0.00 0.00 43.42 43.94 1jtg n LEU 169 CO 0.35 -0.32 0.73 0.59 -0.00 0.00 0.00 177.39 178.74 1jtg n ASN 170 N -1.40 2.61 -0.25 1.45 3.02 -0.89 -4.52 115.26 115.28 1jtg n ASN 170 Ca 0.02 -1.89 0.01 0.00 -0.03 0.00 0.00 54.58 52.69 1jtg n ASN 170 Cb 0.06 -0.22 0.13 0.00 -0.61 0.00 0.00 39.78 39.15 1jtg n ASN 170 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1jtg h GLU 171 N 3.27 0.63 -5.85 3.52 4.81 -1.61 -0.48 114.58 118.86 1jtg h GLU 171 Ca 0.00 -0.04 -0.37 0.00 -0.13 0.00 0.00 59.36 58.82 1jtg h GLU 171 Cb 0.73 -0.14 0.12 0.00 0.63 0.00 0.00 28.75 30.08 1jtg h GLU 171 CO 0.00 0.41 -0.78 0.00 -0.73 0.00 0.00 179.01 177.91 1jtg n ALA 172 N -2.39 -1.93 -2.05 2.92 0.00 -1.26 -4.33 120.51 111.46 1jtg n ALA 172 Ca 0.11 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1jtg n ALA 172 Cb 0.25 -2.61 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 1jtg n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jtg s ILE 173 N -3.46 3.18 0.33 0.00 -1.09 -1.26 -4.75 121.20 114.15 1jtg s ILE 173 Ca 0.08 0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 59.13 1jtg s ILE 173 Cb -0.04 -3.59 -0.11 0.00 -1.58 0.00 0.00 42.46 37.14 1jtg s ILE 173 CO 0.76 0.11 1.53 -2.65 -1.23 0.00 0.00 174.94 173.47 1jtg n PRO 174 N 3.13 2.64 -0.36 2.79 -0.02 -1.26 -1.83 135.00 140.10 1jtg n PRO 174 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1jtg n PRO 174 Cb 0.42 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1jtg n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jtg n ASN 175 N 1.39 0.00 -4.69 2.55 3.02 -1.26 -4.98 115.26 111.29 1jtg n ASN 175 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 1jtg n ASN 175 Cb 0.37 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1jtg n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jtg s ASP 176 N -3.05 7.19 0.00 6.41 -1.08 -0.76 -4.91 116.67 120.46 1jtg s ASP 176 Ca 0.00 1.64 0.28 0.00 -0.52 0.00 0.00 52.55 53.95 1jtg s ASP 176 Cb 0.00 -2.56 0.98 0.00 -1.46 0.00 0.00 42.92 39.88 1jtg s ASP 176 CO 0.00 -0.48 1.70 -0.62 0.52 0.00 0.00 175.17 176.29 1jtg n GLU 177 N 4.97 1.23 -2.04 4.34 1.02 -1.26 -4.85 120.64 124.05 1jtg n GLU 177 Ca 0.09 -0.68 -0.40 0.00 -0.02 0.00 0.00 57.16 56.15 1jtg n GLU 177 Cb 0.48 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1jtg n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1jtg s ARG 178 N -2.24 4.10 -1.45 3.49 0.52 -1.26 -3.25 118.95 118.87 1jtg s ARG 178 Ca 0.32 2.23 -0.09 0.00 -0.52 0.00 0.00 55.73 57.67 1jtg s ARG 178 Cb 0.20 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.82 1jtg s ARG 178 CO 0.42 -0.41 0.97 -0.25 0.02 0.00 0.00 175.30 176.06 1jtg n ASP 179 N 0.38 -5.79 -4.56 0.23 10.43 -1.11 -4.93 116.55 111.20 1jtg n ASP 179 Ca 0.02 -0.54 -0.26 0.00 2.57 0.00 0.00 54.79 56.58 1jtg n ASP 179 Cb 0.42 -4.60 -0.10 0.00 1.84 0.00 0.00 41.12 38.68 1jtg n ASP 179 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1jtg s THR 180 N -3.26 2.23 0.31 -3.53 -4.23 -1.06 -1.87 115.64 104.24 1jtg s THR 180 Ca 0.54 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1jtg s THR 180 Cb -0.25 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 1jtg s THR 180 CO 0.67 -0.18 0.32 0.28 -0.54 0.00 0.00 174.62 175.17 1jtg s THR 181 N -2.62 0.00 0.05 3.99 -1.32 -0.51 -1.81 115.64 113.43 1jtg s THR 181 Ca 0.33 -1.86 0.08 0.00 -1.21 0.00 0.00 61.69 59.03 1jtg s THR 181 Cb 0.03 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 1jtg s THR 181 CO 0.17 0.00 -0.21 -0.04 -2.21 0.00 0.00 174.62 172.33 1jtg s MET 182 N -3.46 1.95 0.28 7.08 -1.94 -1.26 -1.40 119.30 120.54 1jtg s MET 182 Ca 0.37 -1.04 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 1jtg s MET 182 Cb 0.02 -2.11 0.64 0.00 2.01 0.00 0.00 34.83 35.39 1jtg s MET 182 CO 0.22 0.53 1.69 -1.35 -0.01 0.00 0.00 175.02 176.11 1jtg h PRO 183 N 4.60 0.36 -0.30 2.03 0.11 -1.70 -0.07 132.00 137.02 1jtg h PRO 183 Ca -0.47 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1jtg h PRO 183 Cb 1.15 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1jtg h PRO 183 CO 0.46 0.24 -0.31 -0.24 -0.21 0.00 0.00 178.00 177.93 1jtg h VAL 184 N 0.37 1.28 -0.10 3.15 3.04 -1.67 -1.32 116.25 120.99 1jtg h VAL 184 Ca 0.51 -1.43 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 1jtg h VAL 184 Cb 0.93 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1jtg h VAL 184 CO -0.52 0.46 -0.02 0.00 -1.01 0.00 0.00 177.57 176.48 1jtg h ALA 185 N 1.12 0.14 -0.53 3.17 0.00 -1.45 -2.23 119.26 119.47 1jtg h ALA 185 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jtg h ALA 185 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1jtg h ALA 185 CO 0.07 -0.14 0.34 1.98 0.00 0.00 0.00 179.25 181.49 1jtg h MET 186 N -0.13 0.67 -0.87 0.00 -1.53 -0.97 -0.17 114.93 111.92 1jtg h MET 186 Ca 0.03 -0.04 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1jtg h MET 186 Cb 0.41 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 31.27 1jtg h MET 186 CO 0.01 0.44 0.58 0.00 0.14 0.00 0.00 176.91 178.08 1jtg h ALA 187 N 1.21 1.11 -0.12 0.39 0.00 -1.19 0.13 119.26 120.79 1jtg h ALA 187 Ca 0.20 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1jtg h ALA 187 Cb -0.04 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.41 1jtg h ALA 187 CO -0.07 0.50 -0.78 1.79 0.00 0.00 0.00 179.25 180.70 1jtg h THR 188 N 1.17 1.31 -0.62 0.00 1.35 -1.08 -1.80 112.91 113.25 1jtg h THR 188 Ca 0.32 -2.05 -0.09 0.00 -0.55 0.00 0.00 66.41 64.04 1jtg h THR 188 Cb -0.13 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1jtg h THR 188 CO -0.07 0.64 0.03 0.74 -0.25 0.00 0.00 175.52 176.61 1jtg h THR 189 N 0.44 1.27 -0.55 6.82 2.02 -0.76 -1.18 112.91 120.96 1jtg h THR 189 Ca -0.05 -1.11 -0.10 0.00 0.77 0.00 0.00 66.41 65.92 1jtg h THR 189 Cb 1.39 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1jtg h THR 189 CO 0.15 0.41 -0.06 0.25 0.37 0.00 0.00 175.52 176.64 1jtg h LEU 190 N 0.97 0.98 -0.74 2.58 5.85 -0.68 -1.46 115.31 122.82 1jtg h LEU 190 Ca 0.18 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1jtg h LEU 190 Cb 0.52 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1jtg h LEU 190 CO 0.03 1.06 0.49 -0.09 -0.34 0.00 0.00 178.44 179.59 1jtg h ARG 191 N 0.90 0.96 -0.60 1.25 2.43 -1.00 -0.72 114.38 117.59 1jtg h ARG 191 Ca 0.15 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1jtg h ARG 191 Cb 0.60 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1jtg h ARG 191 CO 0.04 0.64 0.10 0.87 -1.51 0.00 0.00 179.97 180.11 1jtg h LYS 192 N 0.99 1.00 -0.42 0.20 1.57 -0.83 -0.11 116.57 118.96 1jtg h LYS 192 Ca 0.27 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1jtg h LYS 192 Cb -0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1jtg h LYS 192 CO -0.06 0.94 0.03 -0.07 -0.57 0.00 0.00 179.45 179.71 1jtg h LEU 193 N 0.90 0.70 0.00 2.94 3.38 -0.91 0.16 115.31 122.49 1jtg h LEU 193 Ca 0.18 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1jtg h LEU 193 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1jtg h LEU 193 CO 0.01 0.82 -0.48 -0.07 0.09 0.00 0.00 178.44 178.81 1jtg h LEU 194 N 0.57 0.00 0.00 1.67 3.38 -1.01 -3.40 115.31 116.52 1jtg h LEU 194 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jtg h LEU 194 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jtg h LEU 194 CO 0.02 0.47 -0.01 0.35 0.09 0.00 0.00 178.44 179.36 1jtg n THR 195 N -3.21 0.00 -1.28 0.22 -2.24 -0.07 -4.97 114.28 102.74 1jtg n THR 195 Ca 0.02 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 1jtg n THR 195 Cb 0.72 0.99 0.15 0.00 -2.10 0.00 0.00 70.33 70.09 1jtg n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtg n GLY 196 N 0.38 -1.92 1.68 3.38 0.00 0.54 -4.95 105.19 104.30 1jtg n GLY 196 Ca 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.50 1jtg n GLY 196 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jtg n GLU 197 N -3.18 4.12 -0.17 1.61 0.28 -1.26 -4.40 120.64 117.64 1jtg n GLU 197 Ca 0.10 -2.86 -0.10 0.00 -0.16 0.00 0.00 57.16 54.14 1jtg n GLU 197 Cb 0.38 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.21 1jtg n GLU 197 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jtg h LEU 198 N 3.89 0.90 -9.38 -1.84 6.46 -1.91 -3.43 115.31 110.00 1jtg h LEU 198 Ca 0.00 -0.33 -0.66 0.00 -0.12 0.00 0.00 57.88 56.78 1jtg h LEU 198 Cb 1.63 -0.24 -0.13 0.00 -0.73 0.00 0.00 40.66 41.19 1jtg h LEU 198 CO 0.34 1.02 -0.69 -0.76 -0.62 0.00 0.00 178.44 177.72 1jtg s LEU 199 N -9.32 3.29 1.02 2.25 1.43 -1.26 -4.97 118.68 111.13 1jtg s LEU 199 Ca -0.12 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1jtg s LEU 199 Cb 0.12 -2.05 0.20 0.00 0.03 0.00 0.00 46.19 44.49 1jtg s LEU 199 CO 0.84 0.18 1.08 0.42 0.23 0.00 0.00 176.35 179.09 1jtg s THR 200 N -1.27 2.21 0.26 5.49 -4.23 -1.26 -4.70 115.64 112.13 1jtg s THR 200 Ca 0.24 0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1jtg s THR 200 Cb -0.11 -2.23 0.20 0.00 1.34 0.00 0.00 72.50 71.69 1jtg s THR 200 CO 0.16 -0.09 1.86 0.25 -0.54 0.00 0.00 174.62 176.27 1jtg h LEU 201 N -2.11 0.99 -0.62 4.79 5.85 -1.97 -0.38 115.31 121.86 1jtg h LEU 201 Ca -0.53 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.04 1jtg h LEU 201 Cb 1.30 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1jtg h LEU 201 CO 0.49 0.83 0.21 0.00 -0.34 0.00 0.00 178.44 179.63 1jtg h ALA 202 N 1.32 0.81 -0.21 1.25 0.00 -1.99 -1.17 119.26 119.27 1jtg h ALA 202 Ca 0.27 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1jtg h ALA 202 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jtg h ALA 202 CO -0.04 0.47 -0.47 0.77 0.00 0.00 0.00 179.25 179.98 1jtg h SER 203 N 0.89 0.60 -0.72 0.00 0.02 -1.74 -1.49 113.55 111.10 1jtg h SER 203 Ca 0.20 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1jtg h SER 203 Cb 0.27 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1jtg h SER 203 CO -0.01 0.98 0.31 0.03 -1.14 0.00 0.00 176.83 177.01 1jtg h ARG 204 N 0.44 1.06 -0.23 3.45 3.08 -0.87 -1.45 114.38 119.86 1jtg h ARG 204 Ca 0.02 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1jtg h ARG 204 Cb 0.99 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1jtg h ARG 204 CO 0.09 0.86 -0.34 0.37 -1.07 0.00 0.00 179.97 179.88 1jtg h GLN 205 N 1.02 0.49 -0.45 0.04 5.75 -1.01 -1.90 115.11 119.05 1jtg h GLN 205 Ca 0.24 -0.22 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 1jtg h GLN 205 Cb 0.17 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1jtg h GLN 205 CO -0.02 0.76 -0.04 0.37 -2.65 0.00 0.00 178.83 177.25 1jtg h GLN 206 N 0.42 0.82 -0.30 1.69 5.75 -0.82 -0.23 115.11 122.44 1jtg h GLN 206 Ca 0.05 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1jtg h GLN 206 Cb 0.79 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1jtg h GLN 206 CO 0.06 0.90 0.12 1.25 -2.65 0.00 0.00 178.83 178.52 1jtg h LEU 207 N 0.66 0.42 -0.83 -2.39 5.85 -1.10 -1.65 115.31 116.26 1jtg h LEU 207 Ca 0.12 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1jtg h LEU 207 Cb 0.56 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1jtg h LEU 207 CO 0.03 0.47 0.52 0.40 -0.34 0.00 0.00 178.44 179.52 1jtg h ILE 208 N 0.34 1.23 -0.72 4.05 2.04 -1.26 -2.18 117.51 121.01 1jtg h ILE 208 Ca 0.10 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1jtg h ILE 208 Cb 0.18 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 1jtg h ILE 208 CO -0.01 0.23 0.38 0.44 0.00 0.00 0.00 178.15 179.19 1jtg h ASP 209 N 1.14 0.90 -0.43 1.72 3.32 -0.61 0.14 116.42 122.60 1jtg h ASP 209 Ca 0.30 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1jtg h ASP 209 Cb -0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1jtg h ASP 209 CO -0.06 0.74 -0.26 -0.50 -1.72 0.00 0.00 179.24 177.44 1jtg h TRP 210 N 1.01 1.09 0.00 4.55 6.55 -0.95 -2.91 115.95 125.28 1jtg h TRP 210 Ca 0.25 -0.28 -0.09 0.00 0.95 0.00 0.00 58.89 59.72 1jtg h TRP 210 Cb 0.05 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 1jtg h TRP 210 CO 0.01 1.10 -0.42 0.52 -1.05 0.00 0.00 178.44 178.60 1jtg h MET 211 N 0.77 0.00 0.00 0.49 2.86 -0.76 -2.99 114.93 115.30 1jtg h MET 211 Ca 0.09 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1jtg h MET 211 Cb 0.84 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1jtg h MET 211 CO 0.07 0.42 -0.48 1.49 1.06 0.00 0.00 176.91 179.47 1jtg h GLU 212 N 0.00 0.00 -5.96 1.72 4.81 -0.63 -1.88 114.58 112.64 1jtg h GLU 212 Ca -0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 1jtg h GLU 212 Cb 0.81 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 1jtg h GLU 212 CO 0.05 0.48 0.20 0.00 -0.73 0.00 0.00 179.01 179.02 1jtg s ALA 213 N -3.46 3.42 0.00 2.92 0.00 -1.11 -4.89 121.76 118.63 1jtg s ALA 213 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1jtg s ALA 213 Cb 0.11 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1jtg s ALA 213 CO 0.72 -0.35 0.00 1.33 0.00 0.00 0.00 175.76 177.46 1jtg n VAL 216 N 4.23 0.00 0.03 0.00 0.24 -1.26 -4.73 118.33 116.84 1jtg n VAL 216 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.36 1jtg n VAL 216 Cb 0.50 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 33.11 1jtg n VAL 216 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jtg n ALA 217 N 0.86 3.08 -0.23 2.33 0.00 -1.26 -4.55 120.51 120.75 1jtg n ALA 217 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 53.44 52.37 1jtg n ALA 217 Cb 0.00 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.53 1jtg n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jtg h GLY 218 N 4.58 0.98 1.33 0.00 0.00 -2.01 -2.08 103.07 105.88 1jtg h GLY 218 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1jtg h GLY 218 CO 0.21 0.03 0.00 -1.55 0.00 0.00 0.00 176.54 175.24 1jtg n PRO 219 N -4.91 0.37 0.00 4.80 -0.04 -1.26 -2.21 135.00 131.75 1jtg n PRO 219 Ca 0.10 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1jtg n PRO 219 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1jtg n PRO 219 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jtg n LEU 220 N -1.17 0.00 0.14 1.53 4.77 -0.78 -4.50 117.00 116.99 1jtg n LEU 220 Ca 0.10 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1jtg n LEU 220 Cb 0.10 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.51 1jtg n LEU 220 CO 0.12 0.00 0.73 -0.07 -1.33 0.00 0.00 177.39 176.84 1jtg h LEU 221 N 0.00 0.14 -1.63 2.23 3.38 -1.82 -3.01 115.31 114.59 1jtg h LEU 221 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1jtg h LEU 221 Cb 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1jtg h LEU 221 CO 0.00 0.47 -0.19 0.03 0.09 0.00 0.00 178.44 178.85 1jtg h ARG 222 N 0.12 0.00 0.00 1.13 3.08 -1.73 -2.32 114.38 114.66 1jtg h ARG 222 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1jtg h ARG 222 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1jtg h ARG 222 CO 0.05 0.19 0.00 -1.13 -1.07 0.00 0.00 179.97 178.00 1jtg n SER 223 N -4.30 0.46 -0.43 7.04 3.41 -0.94 -1.91 113.62 116.95 1jtg n SER 223 Ca -0.02 0.65 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 1jtg n SER 223 Cb 0.25 -0.73 0.08 0.00 -0.26 0.00 0.00 64.21 63.54 1jtg n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jtg n ALA 224 N -1.70 2.34 -2.62 7.33 0.00 -0.88 -5.02 120.51 119.97 1jtg n ALA 224 Ca 0.01 -0.80 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 1jtg n ALA 224 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1jtg n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jtg s LEU 225 N -0.86 4.23 0.76 0.00 2.96 -0.81 -4.89 118.68 120.07 1jtg s LEU 225 Ca 0.14 1.59 -0.11 0.00 -0.22 0.00 0.00 54.13 55.53 1jtg s LEU 225 Cb 0.09 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.27 1jtg s LEU 225 CO 0.12 -0.52 1.08 -2.84 -1.32 0.00 0.00 176.35 172.87 1jtg s PRO 226 N 2.26 2.39 0.40 0.98 0.02 -1.26 -4.96 135.00 134.84 1jtg s PRO 226 Ca 0.50 1.09 -0.26 0.00 0.02 0.00 0.00 61.00 62.35 1jtg s PRO 226 Cb -0.20 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1jtg s PRO 226 CO 0.17 -1.52 1.30 0.00 -0.33 0.00 0.00 177.00 176.62 1jtg n ALA 227 N -3.43 1.44 0.00 -1.55 0.00 -1.26 -2.52 120.51 113.18 1jtg n ALA 227 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1jtg n ALA 227 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1jtg n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtg n GLY 228 N 0.76 2.73 3.80 0.00 0.00 -1.26 -4.85 105.19 106.36 1jtg n GLY 228 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1jtg n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jtg s TRP 229 N -2.22 2.91 -0.08 1.61 0.52 -1.05 -0.05 118.94 120.58 1jtg s TRP 229 Ca 0.00 1.51 -0.04 0.00 0.02 0.00 0.00 56.10 57.59 1jtg s TRP 229 Cb 0.00 -3.04 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 1jtg s TRP 229 CO 0.00 -1.26 0.11 0.12 0.02 0.00 0.00 176.95 175.94 1jtg s PHE 230 N -2.48 3.45 -0.14 -1.98 5.36 0.86 -4.65 117.98 118.40 1jtg s PHE 230 Ca 0.64 0.39 -0.10 0.00 -0.96 0.00 0.00 56.93 56.90 1jtg s PHE 230 Cb -0.17 -1.86 0.05 0.00 -0.34 0.00 0.00 43.02 40.69 1jtg s PHE 230 CO 0.39 0.64 0.36 -1.50 -1.46 0.00 0.00 175.22 173.66 1jtg s ILE 231 N -1.06 -0.02 -0.13 3.12 2.07 -1.26 -1.74 121.20 122.19 1jtg s ILE 231 Ca 0.17 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.47 1jtg s ILE 231 Cb -0.12 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 41.97 1jtg s ILE 231 CO 0.07 0.02 -0.08 0.00 -1.91 0.00 0.00 174.94 173.05 1jtg s ALA 232 N 0.85 1.40 0.21 1.50 0.00 -0.36 -4.45 121.76 120.91 1jtg s ALA 232 Ca -0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1jtg s ALA 232 Cb -0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1jtg s ALA 232 CO -0.06 -0.50 0.20 0.16 0.00 0.00 0.00 175.76 175.56 1jtg s ASP 233 N 1.68 0.11 -0.16 0.00 -4.77 -0.71 -1.18 116.67 111.64 1jtg s ASP 233 Ca 0.04 -1.29 -0.07 0.00 -3.30 0.00 0.00 52.55 47.93 1jtg s ASP 233 Cb -0.13 0.42 0.07 0.00 -1.09 0.00 0.00 42.92 42.18 1jtg s ASP 233 CO -0.08 -0.89 0.36 -0.75 0.70 0.00 0.00 175.17 174.50 1jtg s LYS 234 N -4.13 0.29 0.46 2.11 2.47 -0.67 -4.67 119.74 115.60 1jtg s LYS 234 Ca 0.35 0.82 0.08 0.00 -1.56 0.00 0.00 55.97 55.67 1jtg s LYS 234 Cb 0.06 0.08 0.03 0.00 -1.46 0.00 0.00 37.83 36.53 1jtg s LYS 234 CO 0.11 -0.22 0.61 -1.54 0.16 0.00 0.00 175.35 174.47 1jtg s SER 235 N 2.01 5.48 -0.01 1.43 1.04 -1.26 -1.73 113.70 120.66 1jtg s SER 235 Ca -0.04 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.63 1jtg s SER 235 Cb -0.11 -0.41 0.04 0.00 0.10 0.00 0.00 66.02 65.64 1jtg s SER 235 CO -0.11 -0.90 0.43 -0.83 0.98 0.00 0.00 173.24 172.81 1jtg s GLY 236 N -4.41 -0.29 0.02 7.32 0.00 -0.12 -3.72 107.32 106.12 1jtg s GLY 236 Ca 0.56 0.57 0.01 0.00 0.00 0.00 0.00 44.72 45.85 1jtg s GLY 236 CO 0.34 0.31 -0.04 0.00 0.00 0.00 0.00 173.10 173.71 1jtg s ALA 237 N -1.61 0.22 0.09 3.20 0.00 -1.26 -1.27 121.76 121.13 1jtg s ALA 237 Ca -0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1jtg s ALA 237 Cb -0.03 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1jtg s ALA 237 CO 0.04 -0.12 0.15 0.41 0.00 0.00 0.00 175.76 176.24 1jtg n GLY 238 N 1.65 2.42 3.74 0.00 0.00 -0.66 -4.57 105.19 107.77 1jtg n GLY 238 Ca -0.23 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1jtg n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jtg s GLU 239 N -2.12 0.27 -1.49 1.61 0.41 -0.19 -3.34 118.70 113.84 1jtg s GLU 239 Ca 0.06 0.09 -0.13 0.00 -0.41 0.00 0.00 54.97 54.58 1jtg s GLU 239 Cb -0.01 -1.76 0.07 0.00 -1.78 0.00 0.00 34.13 30.65 1jtg s GLU 239 CO 0.04 -2.75 1.04 0.54 -0.49 0.00 0.00 175.26 173.64 1jtg n ARG 240 N -4.11 -6.16 -2.06 1.61 3.00 -1.26 -2.10 116.66 105.58 1jtg n ARG 240 Ca 0.10 0.66 -0.19 0.00 -0.01 0.00 0.00 57.85 58.41 1jtg n ARG 240 Cb 0.59 -5.59 -0.03 0.00 0.00 0.00 0.00 32.46 27.42 1jtg n ARG 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jtg n GLY 241 N -1.78 0.41 3.74 -0.13 0.00 -1.21 0.13 105.19 106.36 1jtg n GLY 241 Ca 0.04 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1jtg n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jtg s SER 242 N -2.39 7.43 -0.11 1.61 0.01 -0.89 -4.23 113.70 115.13 1jtg s SER 242 Ca 0.00 2.02 -0.23 0.00 1.31 0.00 0.00 55.95 59.05 1jtg s SER 242 Cb 0.00 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.68 1jtg s SER 242 CO 0.00 -0.06 0.56 -0.60 0.41 0.00 0.00 173.24 173.55 1jtg s ARG 243 N -0.74 0.83 0.13 12.44 6.06 -0.46 -1.66 118.95 135.56 1jtg s ARG 243 Ca 0.45 0.38 -0.25 0.00 -2.50 0.00 0.00 55.73 53.81 1jtg s ARG 243 Cb -0.28 0.39 0.07 0.00 0.06 0.00 0.00 34.95 35.19 1jtg s ARG 243 CO 0.34 -0.20 0.85 0.20 -2.50 0.00 0.00 175.30 173.99 1jtg s GLY 244 N -0.64 -0.32 -0.19 8.12 0.00 -0.40 -0.90 107.32 112.99 1jtg s GLY 244 Ca -0.07 0.35 -0.21 0.00 0.00 0.00 0.00 44.72 44.78 1jtg s GLY 244 CO 0.05 0.10 0.59 -1.50 0.00 0.00 0.00 173.10 172.34 1jtg s ILE 245 N -3.40 0.00 0.01 0.90 2.07 -0.02 -0.95 121.20 119.81 1jtg s ILE 245 Ca 0.09 -0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.37 1jtg s ILE 245 Cb -0.02 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1jtg s ILE 245 CO -0.02 -0.01 -0.22 0.27 -1.91 0.00 0.00 174.94 173.05 1jtg s ILE 246 N 0.08 1.75 0.08 2.00 -4.36 -0.71 -1.18 121.20 118.86 1jtg s ILE 246 Ca -0.02 -1.08 -0.24 0.00 -0.26 0.00 0.00 60.65 59.05 1jtg s ILE 246 Cb -0.04 -1.48 0.06 0.00 1.25 0.00 0.00 42.46 42.25 1jtg s ILE 246 CO 0.02 0.37 0.58 0.00 0.24 0.00 0.00 174.94 176.15 1jtg s ALA 247 N -0.65 -1.52 -0.14 2.27 0.00 0.16 -1.66 121.76 120.22 1jtg s ALA 247 Ca 0.08 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1jtg s ALA 247 Cb -0.09 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1jtg s ALA 247 CO 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 175.76 174.96 1jtg s ALA 248 N -2.83 2.30 0.19 0.00 0.00 -0.33 -0.34 121.76 120.75 1jtg s ALA 248 Ca -0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 1jtg s ALA 248 Cb -0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1jtg s ALA 248 CO -0.05 -0.05 0.26 -0.48 0.00 0.00 0.00 175.76 175.45 1jtg s LEU 249 N 0.84 0.95 0.00 0.00 2.34 0.04 -1.23 118.68 121.62 1jtg s LEU 249 Ca -0.06 -1.07 0.00 0.00 0.06 0.00 0.00 54.13 53.06 1jtg s LEU 249 Cb -0.15 1.01 0.00 0.00 -0.56 0.00 0.00 46.19 46.49 1jtg s LEU 249 CO -0.02 -0.92 0.00 0.61 -1.06 0.00 0.00 176.35 174.96 1jtg n GLY 250 N -0.26 1.06 3.82 -3.48 0.00 -0.71 -0.67 105.19 104.95 1jtg n GLY 250 Ca -0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1jtg n GLY 250 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jtg s PRO 251 N -2.00 1.87 -1.40 1.61 0.04 -1.25 -0.10 135.00 133.78 1jtg s PRO 251 Ca 0.00 0.42 -0.03 0.00 0.04 0.00 0.00 61.00 61.43 1jtg s PRO 251 Cb 0.00 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1jtg s PRO 251 CO 0.00 -1.72 0.63 -3.47 0.04 0.00 0.00 177.00 172.48 1jtg n ASP 252 N -3.46 -1.37 0.00 6.66 4.64 -1.21 -2.75 116.55 119.06 1jtg n ASP 252 Ca 0.07 -0.90 0.00 0.00 -1.38 0.00 0.00 54.79 52.58 1jtg n ASP 252 Cb 0.58 -3.56 0.00 0.00 -1.04 0.00 0.00 41.12 37.10 1jtg n ASP 252 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1jtg n GLY 253 N -1.74 0.20 2.97 0.27 0.00 0.92 -4.94 105.19 102.86 1jtg n GLY 253 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1jtg n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtg s LYS 254 N -1.22 0.46 0.32 1.61 0.00 -1.11 -4.75 119.74 115.05 1jtg s LYS 254 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 55.97 55.50 1jtg s LYS 254 Cb 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 37.83 37.29 1jtg s LYS 254 CO 0.00 0.12 1.01 -1.25 0.00 0.00 0.00 175.35 175.24 1jtg s PRO 255 N -0.14 4.50 0.00 1.78 0.04 -1.26 -3.62 135.00 136.31 1jtg s PRO 255 Ca 0.02 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1jtg s PRO 255 Cb -0.02 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1jtg s PRO 255 CO -0.00 0.16 0.04 -1.13 0.04 0.00 0.00 177.00 176.11 1jtg n SER 256 N 0.65 0.08 -3.86 6.66 3.41 0.15 -4.85 113.62 115.86 1jtg n SER 256 Ca 0.02 -0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 58.08 1jtg n SER 256 Cb 0.48 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1jtg n SER 256 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1jtg s ARG 257 N -0.14 0.50 -0.08 4.33 3.52 -0.69 -1.11 118.95 125.28 1jtg s ARG 257 Ca 0.00 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1jtg s ARG 257 Cb 0.00 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1jtg s ARG 257 CO 0.00 -0.12 -0.10 0.42 -0.81 0.00 0.00 175.30 174.69 1jtg s ILE 258 N -1.43 3.44 -0.03 4.11 1.01 0.19 -0.78 121.20 127.71 1jtg s ILE 258 Ca -0.14 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1jtg s ILE 258 Cb -0.07 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1jtg s ILE 258 CO 0.02 0.57 -0.12 -0.69 0.00 0.00 0.00 174.94 174.72 1jtg s VAL 259 N -0.47 1.02 -0.08 2.92 1.01 0.53 -0.57 120.40 124.76 1jtg s VAL 259 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1jtg s VAL 259 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1jtg s VAL 259 CO 0.02 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.63 1jtg s VAL 260 N 0.02 1.06 -0.06 2.92 1.01 -0.58 -0.66 120.40 124.11 1jtg s VAL 260 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1jtg s VAL 260 Cb -0.08 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1jtg s VAL 260 CO 0.01 0.35 -0.04 -0.63 0.00 0.00 0.00 175.10 174.79 1jtg s ILE 261 N 1.05 0.57 0.05 2.22 1.01 -0.32 -1.81 121.20 123.97 1jtg s ILE 261 Ca -0.07 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1jtg s ILE 261 Cb -0.15 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1jtg s ILE 261 CO -0.01 0.25 -0.11 -0.31 0.00 0.00 0.00 174.94 174.77 1jtg s TYR 262 N 1.22 0.92 -0.03 3.97 1.51 -0.46 -0.84 117.35 123.64 1jtg s TYR 262 Ca -0.06 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1jtg s TYR 262 Cb -0.14 -0.54 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1jtg s TYR 262 CO -0.02 -0.01 0.21 -0.08 -1.11 0.00 0.00 175.55 174.54 1jtg s THR 263 N -1.11 0.05 0.06 -0.71 -1.32 -0.07 -0.11 115.64 112.42 1jtg s THR 263 Ca -0.04 -0.43 -0.20 0.00 -1.21 0.00 0.00 61.69 59.81 1jtg s THR 263 Cb -0.09 -0.45 0.04 0.00 -1.51 0.00 0.00 72.50 70.50 1jtg s THR 263 CO 0.01 -0.24 0.46 0.28 -2.21 0.00 0.00 174.62 172.92 1jtg s THR 264 N -0.92 0.05 0.00 5.08 -1.32 -1.09 -1.35 115.64 116.08 1jtg s THR 264 Ca -0.10 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1jtg s THR 264 Cb -0.05 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1jtg s THR 264 CO 0.02 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1jtg n GLY 265 N 0.37 0.64 3.79 6.08 0.00 0.12 -3.16 105.19 113.03 1jtg n GLY 265 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1jtg n GLY 265 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jtg s SER 266 N -2.91 7.18 0.00 1.61 0.15 -1.17 -4.77 113.70 113.79 1jtg s SER 266 Ca 0.00 1.81 0.22 0.00 0.70 0.00 0.00 55.95 58.68 1jtg s SER 266 Cb 0.00 -2.57 -0.13 0.00 -1.71 0.00 0.00 66.02 61.61 1jtg s SER 266 CO 0.00 -0.19 0.94 0.00 1.20 0.00 0.00 173.24 175.19 1jtg n GLN 267 N 0.17 0.07 -0.88 5.44 1.13 -1.26 -3.29 117.38 118.76 1jtg n GLN 267 Ca 0.04 -0.02 -0.30 0.00 -1.94 0.00 0.00 57.00 54.78 1jtg n GLN 267 Cb 0.51 -1.51 0.16 0.00 0.11 0.00 0.00 30.24 29.51 1jtg n GLN 267 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jtg s ALA 268 N -3.05 1.32 0.76 -1.58 0.00 -1.26 -5.00 121.76 112.96 1jtg s ALA 268 Ca 0.07 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1jtg s ALA 268 Cb 0.16 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1jtg s ALA 268 CO 0.85 -2.66 1.08 0.95 0.00 0.00 0.00 175.76 175.98 1jtg s THR 269 N -2.73 3.47 0.18 0.00 -4.23 -1.26 -4.83 115.64 106.24 1jtg s THR 269 Ca 0.65 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 61.51 1jtg s THR 269 Cb -0.21 -3.07 0.08 0.00 1.34 0.00 0.00 72.50 70.64 1jtg s THR 269 CO 0.58 -0.62 1.76 -0.03 -0.54 0.00 0.00 174.62 175.77 1jtg h MET 270 N -1.04 0.39 0.00 3.99 4.05 -1.99 -0.31 114.93 120.02 1jtg h MET 270 Ca -0.44 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 58.92 1jtg h MET 270 Cb 1.23 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1jtg h MET 270 CO 0.54 0.25 -0.15 0.38 0.23 0.00 0.00 176.91 178.17 1jtg h ASP 271 N 0.40 0.00 0.38 1.39 2.03 -1.99 0.01 116.42 118.64 1jtg h ASP 271 Ca 0.22 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.34 1jtg h ASP 271 Cb 0.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 1jtg h ASP 271 CO -0.20 0.15 -0.76 -0.08 -1.03 0.00 0.00 179.24 177.32 1jtg h GLU 272 N 0.00 0.30 -0.28 4.15 4.57 -1.53 -1.48 114.58 120.32 1jtg h GLU 272 Ca -0.00 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.80 1jtg h GLU 272 Cb 0.26 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1jtg h GLU 272 CO 0.02 0.92 -0.26 0.00 -1.18 0.00 0.00 179.01 178.51 1jtg h ARG 273 N 0.20 0.66 -0.69 1.92 3.08 -0.10 -2.62 114.38 116.83 1jtg h ARG 273 Ca -0.03 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1jtg h ARG 273 Cb 1.33 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 1jtg h ARG 273 CO 0.12 0.95 0.43 -0.91 -1.07 0.00 0.00 179.97 179.49 1jtg h ASN 274 N 0.40 0.82 -0.38 7.04 2.35 -0.99 -2.81 115.58 122.01 1jtg h ASN 274 Ca 0.05 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1jtg h ASN 274 Cb 0.82 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 1jtg h ASN 274 CO 0.07 0.63 0.14 -0.09 -1.65 0.00 0.00 177.43 176.53 1jtg h ARG 275 N 0.94 0.30 -0.74 0.81 9.65 -1.13 0.97 114.38 125.18 1jtg h ARG 275 Ca 0.25 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1jtg h ARG 275 Cb -0.05 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1jtg h ARG 275 CO -0.05 0.20 0.48 1.96 2.80 0.00 0.00 179.97 185.36 1jtg h GLN 276 N 0.31 0.97 -0.44 0.20 1.08 -1.29 0.48 115.11 116.42 1jtg h GLN 276 Ca 0.17 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1jtg h GLN 276 Cb 0.14 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1jtg h GLN 276 CO -0.17 0.65 -0.04 0.82 -0.95 0.00 0.00 178.83 179.14 1jtg h ILE 277 N 1.00 1.27 -0.93 2.54 2.04 -1.21 -1.22 117.51 120.99 1jtg h ILE 277 Ca 0.27 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1jtg h ILE 277 Cb -0.11 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1jtg h ILE 277 CO -0.06 0.38 0.61 0.00 0.00 0.00 0.00 178.15 179.09 1jtg h ALA 278 N 0.89 1.36 -0.20 1.87 0.00 -0.20 -0.38 119.26 122.60 1jtg h ALA 278 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1jtg h ALA 278 Cb 0.55 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jtg h ALA 278 CO 0.03 0.58 -0.41 0.93 0.00 0.00 0.00 179.25 180.37 1jtg h GLU 279 N 1.23 0.46 -0.60 0.00 5.08 -0.58 0.12 114.58 120.29 1jtg h GLU 279 Ca 0.35 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1jtg h GLU 279 Cb -0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1jtg h GLU 279 CO -0.09 0.79 -0.01 0.82 -1.00 0.00 0.00 179.01 179.52 1jtg h ILE 280 N 0.38 1.27 -0.72 3.13 2.04 -0.69 -1.93 117.51 120.99 1jtg h ILE 280 Ca 0.03 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1jtg h ILE 280 Cb 0.88 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1jtg h ILE 280 CO 0.07 0.43 0.32 1.23 0.00 0.00 0.00 178.15 180.20 1jtg h GLY 281 N 0.97 1.11 1.01 5.37 0.00 -0.53 -1.18 103.07 109.83 1jtg h GLY 281 Ca 0.17 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1jtg h GLY 281 CO 0.03 0.53 0.23 0.00 0.00 0.00 0.00 176.54 177.33 1jtg h ALA 282 N 1.32 0.84 -0.46 3.60 0.00 -0.57 -1.90 119.26 122.08 1jtg h ALA 282 Ca 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jtg h ALA 282 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jtg h ALA 282 CO -0.03 0.49 0.12 1.03 0.00 0.00 0.00 179.25 180.86 1jtg h SER 283 N 0.92 0.69 -0.74 0.00 0.87 -0.92 -0.78 113.55 113.59 1jtg h SER 283 Ca 0.21 -0.22 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1jtg h SER 283 Cb 0.25 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1jtg h SER 283 CO -0.01 0.73 0.43 0.25 -0.53 0.00 0.00 176.83 177.70 1jtg h LEU 284 N 0.61 0.66 -0.10 2.23 5.85 -1.04 -0.50 115.31 123.03 1jtg h LEU 284 Ca 0.15 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1jtg h LEU 284 Cb 0.30 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1jtg h LEU 284 CO -0.00 0.43 -0.18 0.40 -0.34 0.00 0.00 178.44 178.75 1jtg h ILE 285 N 0.80 1.39 -0.24 4.05 1.08 -1.16 -2.32 117.51 121.11 1jtg h ILE 285 Ca 0.32 -1.45 0.03 0.00 -0.39 0.00 0.00 64.86 63.38 1jtg h ILE 285 Cb 0.17 2.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.99 1jtg h ILE 285 CO -0.17 0.42 0.06 0.50 -0.69 0.00 0.00 178.15 178.26 1jtg h LYS 286 N -0.15 0.15 -0.81 2.37 3.64 -0.93 -2.30 116.57 118.54 1jtg h LYS 286 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1jtg h LYS 286 Cb 0.76 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1jtg h LYS 286 CO 0.04 0.10 0.12 0.72 -2.27 0.00 0.00 179.45 178.16 1jtg n HIS 287 N -5.07 1.54 0.00 1.91 8.25 -0.21 -5.10 115.22 116.53 1jtg n HIS 287 Ca -0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 1jtg n HIS 287 Cb 0.10 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1jtg n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85