#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtx h LEU 3 N 0.00 0.46 -0.38 1.20 5.85 -1.98 1.12 115.31 121.58 1jtx h LEU 3 Ca 0.00 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1jtx h LEU 3 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1jtx h LEU 3 CO 0.00 0.20 -0.33 0.50 -0.34 0.00 0.00 178.44 178.47 1jtx h LYS 4 N 0.47 0.90 0.00 1.25 3.64 -1.99 -1.75 116.57 119.08 1jtx h LYS 4 Ca 0.46 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1jtx h LYS 4 Cb 1.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1jtx h LYS 4 CO -0.18 1.11 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.40 1jtx h ASP 5 N 0.71 0.00 -0.26 4.20 3.32 -0.88 -1.71 116.42 121.81 1jtx h ASP 5 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1jtx h ASP 5 Cb 0.92 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1jtx h ASP 5 CO 0.08 0.26 -0.28 0.50 -1.72 0.00 0.00 179.24 178.08 1jtx h LYS 6 N 0.00 0.65 -0.32 3.56 3.64 0.15 -1.00 116.57 123.24 1jtx h LYS 6 Ca -0.00 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1jtx h LYS 6 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1jtx h LYS 6 CO 0.03 0.96 0.16 0.82 -2.27 0.00 0.00 179.45 179.15 1jtx h ILE 7 N 0.37 1.15 -0.76 2.00 2.04 -0.99 0.90 117.51 122.22 1jtx h ILE 7 Ca 0.04 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1jtx h ILE 7 Cb 0.85 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1jtx h ILE 7 CO 0.07 0.15 0.48 -0.07 0.00 0.00 0.00 178.15 178.79 1jtx h LEU 8 N 0.38 0.80 -0.33 1.44 3.38 -1.25 0.31 115.31 120.04 1jtx h LEU 8 Ca 0.11 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1jtx h LEU 8 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jtx h LEU 8 CO -0.01 0.56 0.08 1.23 0.09 0.00 0.00 178.44 180.38 1jtx h GLY 9 N 0.95 0.56 0.72 0.83 0.00 -0.78 -0.80 103.07 104.55 1jtx h GLY 9 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1jtx h GLY 9 CO -0.11 0.32 -0.04 -2.08 0.00 0.00 0.00 176.54 174.64 1jtx h VAL 10 N 0.37 1.30 -0.79 4.60 2.07 -0.41 -2.75 116.25 120.64 1jtx h VAL 10 Ca 0.10 -1.02 0.11 0.00 0.82 0.00 0.00 66.70 66.71 1jtx h VAL 10 Cb 0.29 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 1jtx h VAL 10 CO 0.00 0.29 0.42 0.00 0.02 0.00 0.00 177.57 178.30 1jtx h ALA 11 N 0.68 1.13 -0.21 1.67 0.00 -0.39 0.75 119.26 122.88 1jtx h ALA 11 Ca 0.03 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jtx h ALA 11 Cb 0.47 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1jtx h ALA 11 CO 0.01 0.00 0.04 -0.22 0.00 0.00 0.00 179.25 179.08 1jtx h LYS 12 N 0.68 0.12 -0.45 0.00 3.64 -0.94 0.20 116.57 119.82 1jtx h LYS 12 Ca 0.40 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1jtx h LYS 12 Cb 0.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jtx h LYS 12 CO -0.28 0.08 -0.15 1.05 -2.27 0.00 0.00 179.45 177.88 1jtx h GLU 13 N 0.12 0.84 -0.27 1.90 4.11 -1.04 -0.00 114.58 120.23 1jtx h GLU 13 Ca 0.10 -0.31 0.02 0.00 0.07 0.00 0.00 59.36 59.24 1jtx h GLU 13 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1jtx h GLU 13 CO -0.13 0.94 0.12 -0.07 0.07 0.00 0.00 179.01 179.94 1jtx h LEU 14 N 0.75 0.18 -0.15 3.06 -0.00 -0.34 -1.02 115.31 117.79 1jtx h LEU 14 Ca 0.12 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1jtx h LEU 14 Cb 0.66 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.29 1jtx h LEU 14 CO 0.05 0.14 0.03 -0.26 -0.00 0.00 0.00 178.44 178.40 1jtx h PHE 15 N 0.27 0.06 -0.44 1.13 0.05 -0.14 -0.48 116.94 117.39 1jtx h PHE 15 Ca 0.11 0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.98 1jtx h PHE 15 Cb 0.05 -0.00 -0.06 0.00 2.00 0.00 0.00 35.95 37.94 1jtx h PHE 15 CO -0.10 0.02 0.11 0.82 -0.18 0.00 0.00 178.31 178.98 1jtx h ILE 16 N 0.10 0.80 -0.02 -0.55 2.04 -0.68 0.40 117.51 119.59 1jtx h ILE 16 Ca 0.07 -0.09 -0.18 0.00 1.00 0.00 0.00 64.86 65.66 1jtx h ILE 16 Cb 0.05 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1jtx h ILE 16 CO -0.08 0.05 -0.80 0.50 0.00 0.00 0.00 178.15 177.81 1jtx h LYS 17 N 0.25 0.22 0.00 2.37 3.64 -0.91 -3.37 116.57 118.78 1jtx h LYS 17 Ca 0.21 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jtx h LYS 17 Cb 0.25 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1jtx h LYS 17 CO -0.26 0.91 0.00 0.09 -2.27 0.00 0.00 179.45 177.92 1jtx n ASN 18 N -3.73 1.46 -0.31 4.20 3.02 -0.21 -5.11 115.26 114.58 1jtx n ASN 18 Ca -0.03 -1.67 0.04 0.00 -0.03 0.00 0.00 54.58 52.89 1jtx n ASN 18 Cb 0.75 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.91 1jtx n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jtx n GLY 19 N -0.34 -1.86 0.09 7.41 0.00 0.14 -4.01 105.19 106.61 1jtx n GLY 19 Ca 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1jtx n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jtx h TYR 20 N -0.30 0.16 -0.07 1.61 3.20 -1.79 -3.18 116.97 116.61 1jtx h TYR 20 Ca -0.01 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 1jtx h TYR 20 Cb 0.29 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1jtx h TYR 20 CO -0.25 0.61 -0.45 -0.91 -1.64 0.00 0.00 178.16 175.51 1jtx h ASN 21 N -0.33 0.17 -0.16 -2.11 4.21 -1.90 -3.28 115.58 112.19 1jtx h ASN 21 Ca 0.01 -0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.37 1jtx h ASN 21 Cb 0.59 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1jtx h ASN 21 CO 0.01 0.61 -0.16 0.00 -1.29 0.00 0.00 177.43 176.60 1jtx h ALA 22 N 1.40 0.23 -2.34 -0.83 0.00 -1.70 -3.44 119.26 112.58 1jtx h ALA 22 Ca 0.01 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 54.02 1jtx h ALA 22 Cb 0.86 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.64 1jtx h ALA 22 CO 0.07 0.13 0.99 2.41 0.00 0.00 0.00 179.25 182.85 1jtx n THR 23 N -4.53 0.25 -4.22 0.00 -1.04 -1.20 -5.01 114.28 98.53 1jtx n THR 23 Ca -0.06 -0.04 -0.31 0.00 -2.04 0.00 0.00 64.05 61.60 1jtx n THR 23 Cb 0.38 -1.86 -0.09 0.00 -1.82 0.00 0.00 70.33 66.94 1jtx n THR 23 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1jtx s THR 24 N 2.22 3.93 0.22 12.58 -4.23 -1.26 -4.99 115.64 124.11 1jtx s THR 24 Ca 0.82 -0.89 0.35 0.00 -1.18 0.00 0.00 61.69 60.79 1jtx s THR 24 Cb -0.59 -2.82 0.38 0.00 1.34 0.00 0.00 72.50 70.81 1jtx s THR 24 CO 0.40 0.22 2.07 0.71 -0.54 0.00 0.00 174.62 177.48 1jtx h THR 25 N 3.19 0.00 0.36 3.99 1.35 -1.99 -2.12 112.91 117.70 1jtx h THR 25 Ca -0.48 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1jtx h THR 25 Cb 1.17 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1jtx h THR 25 CO 0.58 0.00 -0.18 1.23 -0.25 0.00 0.00 175.52 176.90 1jtx h GLY 26 N 1.09 -0.51 0.94 5.82 0.00 -1.99 0.21 103.07 108.64 1jtx h GLY 26 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.53 1jtx h GLY 26 CO 0.00 -0.19 0.23 0.83 0.00 0.00 0.00 176.54 177.42 1jtx h GLU 27 N -0.49 0.46 -0.46 4.80 5.08 -1.81 -1.32 114.58 120.84 1jtx h GLU 27 Ca -0.05 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1jtx h GLU 27 Cb 0.38 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1jtx h GLU 27 CO 0.08 0.30 0.23 0.82 -1.00 0.00 0.00 179.01 179.45 1jtx h ILE 28 N 0.47 0.97 -0.32 3.13 2.04 -1.23 0.14 117.51 122.73 1jtx h ILE 28 Ca 0.15 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1jtx h ILE 28 Cb -0.02 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1jtx h ILE 28 CO -0.06 0.08 0.16 0.58 0.00 0.00 0.00 178.15 178.92 1jtx h VAL 29 N 0.46 1.00 0.06 1.67 2.07 -0.12 -2.69 116.25 118.70 1jtx h VAL 29 Ca 0.20 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jtx h VAL 29 Cb 0.10 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1jtx h VAL 29 CO -0.13 0.06 -0.03 0.50 0.02 0.00 0.00 177.57 177.99 1jtx h LYS 30 N 0.34 -0.08 0.00 1.57 1.63 -0.68 -1.03 116.57 118.32 1jtx h LYS 30 Ca 0.13 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1jtx h LYS 30 Cb 0.04 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1jtx h LYS 30 CO -0.08 0.41 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.25 1jtx h LEU 31 N -0.61 0.00 -1.53 5.20 3.38 -0.77 0.31 115.31 121.29 1jtx h LEU 31 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jtx h LEU 31 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jtx h LEU 31 CO 0.01 0.00 -0.16 -1.54 0.09 0.00 0.00 178.44 176.84 1jtx n SER 32 N -3.09 2.50 -3.47 -0.43 3.41 -1.02 -4.97 113.62 106.55 1jtx n SER 32 Ca -0.03 -1.75 -0.18 0.00 -0.26 0.00 0.00 58.87 56.65 1jtx n SER 32 Cb 0.08 0.17 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1jtx n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jtx n GLU 33 N 0.77 -6.52 0.00 4.33 1.02 0.10 -4.87 120.64 115.47 1jtx n GLU 33 Ca 0.11 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 1jtx n GLU 33 Cb 0.51 -5.79 0.00 0.00 -0.02 0.00 0.00 31.44 26.13 1jtx n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jtx n SER 34 N -3.11 0.00 -3.50 1.62 2.88 -0.43 -5.05 113.62 106.02 1jtx n SER 34 Ca -0.27 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.17 1jtx n SER 34 Cb 0.66 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 1jtx n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jtx s SER 35 N 1.00 -0.41 0.20 -3.46 1.04 -1.26 -4.84 113.70 105.96 1jtx s SER 35 Ca 0.00 0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.40 1jtx s SER 35 Cb 0.00 0.41 0.23 0.00 0.10 0.00 0.00 66.02 66.76 1jtx s SER 35 CO 0.00 -0.64 1.76 0.11 0.98 0.00 0.00 173.24 175.45 1jtx h LYS 36 N 2.10 0.43 -0.38 4.02 1.57 -1.94 0.67 116.57 123.04 1jtx h LYS 36 Ca -0.24 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1jtx h LYS 36 Cb 1.24 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 1jtx h LYS 36 CO 0.32 0.29 0.07 0.78 -0.57 0.00 0.00 179.45 180.34 1jtx h GLY 37 N 0.45 0.44 1.34 3.86 0.00 -1.99 0.12 103.07 107.28 1jtx h GLY 37 Ca 0.28 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 1jtx h GLY 37 CO -0.25 -0.03 -0.27 -0.57 0.00 0.00 0.00 176.54 175.42 1jtx h ASN 38 N 0.19 0.77 -0.74 0.19 -0.00 -1.72 -1.87 115.58 112.40 1jtx h ASN 38 Ca 0.18 -0.29 -0.05 0.00 -0.00 0.00 0.00 56.30 56.14 1jtx h ASN 38 Cb 0.21 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 1jtx h ASN 38 CO -0.24 1.00 0.26 0.25 -0.00 0.00 0.00 177.43 178.70 1jtx h LEU 39 N 0.64 1.05 -0.71 0.34 6.46 -0.30 -2.48 115.31 120.31 1jtx h LEU 39 Ca 0.08 -0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.57 1jtx h LEU 39 Cb 0.78 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1jtx h LEU 39 CO 0.06 0.95 -0.01 0.22 -0.62 0.00 0.00 178.44 179.05 1jtx h TYR 40 N 1.10 1.07 -0.41 1.25 3.20 -0.56 -2.58 116.97 120.03 1jtx h TYR 40 Ca 0.25 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1jtx h TYR 40 Cb 0.26 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1jtx h TYR 40 CO 0.02 0.96 -0.17 -0.92 -1.64 0.00 0.00 178.16 176.41 1jtx h TYR 41 N 0.90 0.87 0.15 -3.82 3.20 -0.99 -3.34 116.97 113.95 1jtx h TYR 41 Ca 0.16 -0.18 -0.28 0.00 3.14 0.00 0.00 58.73 61.57 1jtx h TYR 41 Cb 0.54 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.61 1jtx h TYR 41 CO 0.04 0.89 -1.36 0.45 -1.64 0.00 0.00 178.16 176.54 1jtx h HIS 42 N 0.70 0.58 -2.25 -3.82 3.86 -1.43 -3.46 115.15 109.33 1jtx h HIS 42 Ca 0.11 -0.43 -0.55 0.00 -1.16 0.00 0.00 60.37 58.35 1jtx h HIS 42 Cb 0.67 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 28.98 1jtx h HIS 42 CO 0.03 1.53 -0.59 -0.06 0.86 0.00 0.00 177.93 179.70 1jtx s PHE 43 N -2.50 2.12 -0.03 2.45 0.40 -0.98 -5.05 117.98 114.39 1jtx s PHE 43 Ca -0.17 -0.89 0.06 0.00 -0.60 0.00 0.00 56.93 55.33 1jtx s PHE 43 Cb 0.04 -1.46 -0.08 0.00 0.51 0.00 0.00 43.02 42.03 1jtx s PHE 43 CO 0.82 0.14 0.08 1.63 0.70 0.00 0.00 175.22 178.59 1jtx n LYS 44 N -0.84 1.51 -4.11 0.44 4.01 -1.25 -3.93 118.16 113.98 1jtx n LYS 44 Ca -0.05 -0.03 -0.11 0.00 -0.51 0.00 0.00 58.31 57.61 1jtx n LYS 44 Cb 0.67 -1.15 -0.08 0.00 -0.51 0.00 0.00 35.03 33.96 1jtx n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jtx s THR 45 N -2.29 0.00 0.18 -0.18 -4.23 -1.26 -4.77 115.64 103.09 1jtx s THR 45 Ca -0.03 -1.72 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1jtx s THR 45 Cb 0.03 -2.39 0.08 0.00 1.34 0.00 0.00 72.50 71.56 1jtx s THR 45 CO 0.25 0.00 1.84 0.50 -0.54 0.00 0.00 174.62 176.67 1jtx h LYS 46 N 2.42 0.76 -0.43 3.99 3.64 -1.98 0.25 116.57 125.23 1jtx h LYS 46 Ca -0.31 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1jtx h LYS 46 Cb 1.25 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1jtx h LYS 46 CO 0.44 0.51 0.17 0.93 -2.27 0.00 0.00 179.45 179.22 1jtx h GLU 47 N 0.78 0.33 -0.64 1.90 3.07 -1.99 -0.11 114.58 117.92 1jtx h GLU 47 Ca 0.21 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1jtx h GLU 47 Cb -0.08 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1jtx h GLU 47 CO -0.04 0.22 0.10 -0.97 -1.40 0.00 0.00 179.01 176.91 1jtx h ASN 48 N 0.34 1.02 -0.17 1.42 -1.24 -1.80 -1.66 115.58 113.49 1jtx h ASN 48 Ca 0.20 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 1jtx h ASN 48 Cb 0.17 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1jtx h ASN 48 CO -0.19 1.02 0.07 0.25 -1.29 0.00 0.00 177.43 177.30 1jtx h LEU 49 N 0.98 0.23 -1.23 0.34 6.46 0.29 -2.28 115.31 120.09 1jtx h LEU 49 Ca 0.19 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1jtx h LEU 49 Cb 0.44 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1jtx h LEU 49 CO 0.01 0.33 0.32 0.15 -0.62 0.00 0.00 178.44 178.63 1jtx h PHE 50 N 0.12 0.84 -0.17 1.25 3.04 -0.94 -0.65 116.94 120.43 1jtx h PHE 50 Ca 0.06 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1jtx h PHE 50 Cb 0.17 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1jtx h PHE 50 CO -0.01 0.59 -0.30 -0.07 -2.02 0.00 0.00 178.31 176.50 1jtx h LEU 51 N 0.86 0.33 -0.31 0.59 3.38 -1.18 -0.83 115.31 118.14 1jtx h LEU 51 Ca 0.22 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1jtx h LEU 51 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jtx h LEU 51 CO -0.03 0.63 -0.03 -0.08 0.09 0.00 0.00 178.44 179.02 1jtx h GLU 52 N 0.29 0.57 0.11 1.13 4.57 -0.68 -1.20 114.58 119.36 1jtx h GLU 52 Ca 0.04 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1jtx h GLU 52 Cb 0.68 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1jtx h GLU 52 CO 0.05 0.73 -0.27 0.82 -1.18 0.00 0.00 179.01 179.16 1jtx h ILE 53 N 0.35 0.41 -0.85 2.32 1.08 -0.66 -1.90 117.51 118.26 1jtx h ILE 53 Ca 0.08 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.76 1jtx h ILE 53 Cb 0.49 0.41 -0.12 0.00 -3.07 0.00 0.00 36.82 34.52 1jtx h ILE 53 CO 0.02 0.00 0.29 -0.07 -0.69 0.00 0.00 178.15 177.70 1jtx h LEU 54 N -0.47 0.15 -0.24 1.44 4.07 -0.92 0.76 115.31 120.10 1jtx h LEU 54 Ca 0.03 0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1jtx h LEU 54 Cb 0.51 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1jtx h LEU 54 CO -0.16 -0.05 0.13 0.78 -1.08 0.00 0.00 178.44 178.05 1jtx h ASN 55 N 0.32 0.30 -0.50 -0.43 4.21 -0.53 -0.49 115.58 118.45 1jtx h ASN 55 Ca 0.52 -0.09 0.05 0.00 1.21 0.00 0.00 56.30 57.99 1jtx h ASN 55 Cb 0.97 -0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 38.05 1jtx h ASN 55 CO -0.56 0.30 0.23 0.40 -1.29 0.00 0.00 177.43 176.52 1jtx h ILE 56 N 0.27 0.92 -0.95 2.81 2.04 -0.21 -1.04 117.51 121.33 1jtx h ILE 56 Ca 0.08 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1jtx h ILE 56 Cb 0.07 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1jtx h ILE 56 CO -0.01 0.08 0.62 -0.33 0.00 0.00 0.00 178.15 178.51 1jtx h GLU 57 N 0.45 1.14 -0.47 2.37 4.39 -0.62 -1.43 114.58 120.42 1jtx h GLU 57 Ca 0.23 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1jtx h GLU 57 Cb 0.17 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1jtx h GLU 57 CO -0.18 0.76 0.20 1.49 -1.16 0.00 0.00 179.01 180.12 1jtx h GLU 58 N 1.18 0.69 -0.26 2.33 4.57 -0.21 -1.26 114.58 121.61 1jtx h GLU 58 Ca 0.39 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1jtx h GLU 58 Cb 0.05 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1jtx h GLU 58 CO -0.13 0.61 0.16 0.77 -1.18 0.00 0.00 179.01 179.24 1jtx h SER 59 N 0.61 0.26 -0.89 1.04 0.02 -0.38 0.55 113.55 114.78 1jtx h SER 59 Ca 0.16 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1jtx h SER 59 Cb 0.16 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1jtx h SER 59 CO -0.02 0.19 0.57 0.11 -1.14 0.00 0.00 176.83 176.55 1jtx h LYS 60 N 0.32 1.07 -0.46 3.45 1.79 -1.06 0.11 116.57 121.79 1jtx h LYS 60 Ca 0.10 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1jtx h LYS 60 Cb -0.02 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.37 1jtx h LYS 60 CO -0.04 0.71 0.30 2.35 -1.08 0.00 0.00 179.45 181.69 1jtx h TRP 61 N 1.10 0.59 0.02 -1.35 2.91 -0.51 0.40 115.95 119.11 1jtx h TRP 61 Ca 0.36 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.39 1jtx h TRP 61 Cb 0.02 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.47 1jtx h TRP 61 CO -0.02 0.38 -0.01 1.96 -1.03 0.00 0.00 178.44 179.72 1jtx h GLN 62 N 0.62 -0.02 -0.40 2.65 1.08 -0.15 -0.42 115.11 118.47 1jtx h GLN 62 Ca 0.17 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.45 1jtx h GLN 62 Cb -0.06 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.29 1jtx h GLN 62 CO -0.04 0.12 -0.23 1.49 -0.95 0.00 0.00 178.83 179.23 1jtx h GLU 63 N -0.16 -0.15 -0.06 1.46 4.22 -0.40 0.40 114.58 119.88 1jtx h GLU 63 Ca -0.00 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.49 1jtx h GLU 63 Cb 0.15 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1jtx h GLU 63 CO 0.00 -0.10 -0.39 1.96 -2.18 0.00 0.00 179.01 178.30 1jtx h GLN 64 N -0.16 -0.49 -0.86 1.92 4.20 0.11 -1.90 115.11 117.94 1jtx h GLN 64 Ca 0.19 0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.07 1jtx h GLN 64 Cb 0.46 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.26 1jtx h GLN 64 CO -0.50 -0.32 0.47 2.35 -0.67 0.00 0.00 178.83 180.16 1jtx h TRP 65 N -0.50 0.83 -0.98 2.96 -0.00 0.49 -0.22 115.95 118.52 1jtx h TRP 65 Ca 0.07 0.03 0.22 0.00 -0.00 0.00 0.00 58.89 59.20 1jtx h TRP 65 Cb 0.61 -0.24 -0.12 0.00 -0.00 0.00 0.00 29.16 29.42 1jtx h TRP 65 CO -0.43 0.25 0.57 -0.22 -0.00 0.00 0.00 178.44 178.62 1jtx h LYS 66 N 0.70 0.62 0.01 2.65 3.64 0.56 -0.73 116.57 124.03 1jtx h LYS 66 Ca 0.45 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1jtx h LYS 66 Cb 0.57 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jtx h LYS 66 CO -0.32 0.41 -0.01 0.87 -2.27 0.00 0.00 179.45 178.13 1jtx h LYS 67 N 0.64 -0.02 -0.98 1.90 1.57 -0.88 -3.37 116.57 115.43 1jtx h LYS 67 Ca 0.60 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.62 1jtx h LYS 67 Cb 1.05 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.28 1jtx h LYS 67 CO -0.44 0.51 0.65 1.49 -0.57 0.00 0.00 179.45 181.09 1jtx h GLU 68 N -0.99 0.36 0.00 3.15 4.57 -0.71 -2.17 114.58 118.79 1jtx h GLU 68 Ca -0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1jtx h GLU 68 Cb 0.54 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1jtx h GLU 68 CO 0.00 0.24 -0.18 -0.56 -1.18 0.00 0.00 179.01 177.34 1jtx h GLN 69 N 0.37 0.00 -0.61 1.92 3.07 -1.30 -2.42 115.11 116.14 1jtx h GLN 69 Ca 0.53 0.00 0.18 0.00 0.09 0.00 0.00 58.65 59.45 1jtx h GLN 69 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.93 1jtx h GLN 69 CO -0.22 0.18 0.57 0.82 0.09 0.00 0.00 178.83 180.26 1jtx h ILE 70 N 0.00 0.40 -0.56 1.86 1.08 -1.57 0.49 117.51 119.21 1jtx h ILE 70 Ca -0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.39 1jtx h ILE 70 Cb 0.57 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1jtx h ILE 70 CO 0.02 0.00 0.06 0.11 -0.69 0.00 0.00 178.15 177.65 1jtx h LYS 71 N 0.00 0.95 -6.22 2.37 1.57 -1.63 -3.40 116.57 110.21 1jtx h LYS 71 Ca 0.29 -0.27 -0.59 0.00 -1.87 0.00 0.00 60.65 58.21 1jtx h LYS 71 Cb 1.42 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.53 1jtx h LYS 71 CO -0.00 0.92 0.64 0.00 -0.57 0.00 0.00 179.45 180.44 1jtx s ALA 72 N -5.13 3.26 0.02 3.86 0.00 0.17 -4.95 121.76 118.98 1jtx s ALA 72 Ca -0.12 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 1jtx s ALA 72 Cb 0.13 -3.65 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 1jtx s ALA 72 CO 0.83 -1.99 1.30 -0.22 0.00 0.00 0.00 175.76 175.68 1jtx h LYS 73 N 8.97 -0.37 -6.16 0.00 3.64 -1.80 -3.43 116.57 117.42 1jtx h LYS 73 Ca -0.24 0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.62 1jtx h LYS 73 Cb 1.07 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1jtx h LYS 73 CO 1.03 -0.07 -0.37 0.95 -2.27 0.00 0.00 179.45 178.72 1jtx s THR 74 N -4.82 5.24 0.49 1.00 -4.23 -1.26 -5.00 115.64 107.05 1jtx s THR 74 Ca -0.14 -0.40 0.15 0.00 -1.18 0.00 0.00 61.69 60.12 1jtx s THR 74 Cb 0.02 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.38 1jtx s THR 74 CO 0.57 -0.12 2.08 0.78 -0.54 0.00 0.00 174.62 177.38 1jtx h ASN 75 N 2.17 0.00 -0.92 3.99 2.35 -1.92 0.11 115.58 121.36 1jtx h ASN 75 Ca -0.48 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.35 1jtx h ASN 75 Cb 1.19 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.49 1jtx h ASN 75 CO 0.69 0.09 0.57 -0.09 -1.65 0.00 0.00 177.43 177.04 1jtx h ARG 76 N 0.00 0.96 0.05 0.81 2.43 -1.95 -0.81 114.38 115.88 1jtx h ARG 76 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1jtx h ARG 76 Cb 0.15 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1jtx h ARG 76 CO 0.01 0.63 -0.03 0.93 -1.51 0.00 0.00 179.97 180.01 1jtx h GLU 77 N 0.99 -0.07 -1.00 0.20 5.08 -1.39 -2.81 114.58 115.58 1jtx h GLU 77 Ca 0.42 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.94 1jtx h GLU 77 Cb 0.28 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 1jtx h GLU 77 CO -0.21 0.27 0.62 0.87 -1.00 0.00 0.00 179.01 179.56 1jtx h LYS 78 N -0.41 0.84 0.59 2.33 1.57 -0.88 0.11 116.57 120.72 1jtx h LYS 78 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1jtx h LYS 78 Cb 0.37 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1jtx h LYS 78 CO 0.01 0.55 -0.48 0.35 -0.57 0.00 0.00 179.45 179.32 1jtx h PHE 79 N 0.86 -1.31 -0.47 -1.35 3.57 -1.01 0.11 116.94 117.35 1jtx h PHE 79 Ca 0.54 0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.14 1jtx h PHE 79 Cb 0.72 0.49 -0.10 0.00 2.79 0.00 0.00 35.95 39.85 1jtx h PHE 79 CO -0.01 -0.67 -0.21 1.88 -2.23 0.00 0.00 178.31 177.08 1jtx h TYR 80 N -1.05 -0.52 -0.16 0.41 0.05 -0.98 -2.30 116.97 112.43 1jtx h TYR 80 Ca -0.07 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1jtx h TYR 80 Cb 0.88 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1jtx h TYR 80 CO -0.19 -0.29 0.06 1.25 -1.05 0.00 0.00 178.16 177.94 1jtx h LEU 81 N -0.10 0.09 -1.07 3.88 5.85 -0.57 -2.10 115.31 121.28 1jtx h LEU 81 Ca 0.22 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1jtx h LEU 81 Cb 0.45 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1jtx h LEU 81 CO -0.54 0.07 0.48 0.22 -0.34 0.00 0.00 178.44 178.33 1jtx h TYR 82 N 0.15 1.09 -0.30 1.25 3.20 -0.46 0.37 116.97 122.25 1jtx h TYR 82 Ca 0.06 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1jtx h TYR 82 Cb 0.03 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 1jtx h TYR 82 CO -0.10 0.73 -0.20 -0.91 -1.64 0.00 0.00 178.16 176.04 1jtx h ASN 83 N 1.13 0.70 -0.67 -2.11 -0.26 -1.19 -1.71 115.58 111.47 1jtx h ASN 83 Ca 0.29 -0.44 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1jtx h ASN 83 Cb -0.02 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.01 1jtx h ASN 83 CO -0.05 0.99 0.37 -0.33 -1.06 0.00 0.00 177.43 177.34 1jtx h GLU 84 N 0.42 0.94 -0.70 0.81 5.08 -1.07 -2.06 114.58 117.99 1jtx h GLU 84 Ca 0.06 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1jtx h GLU 84 Cb 0.75 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1jtx h GLU 84 CO 0.06 0.71 0.40 -0.07 -1.00 0.00 0.00 179.01 179.10 1jtx h LEU 85 N 0.92 0.85 -0.75 1.33 -0.00 -0.76 0.67 115.31 117.58 1jtx h LEU 85 Ca 0.24 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.88 57.93 1jtx h LEU 85 Cb 0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 1jtx h LEU 85 CO -0.04 0.68 -0.46 0.28 -0.00 0.00 0.00 178.44 178.90 1jtx h SER 86 N 0.97 0.41 0.21 -0.43 0.02 -0.87 -0.03 113.55 113.82 1jtx h SER 86 Ca 0.25 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1jtx h SER 86 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1jtx h SER 86 CO -0.04 0.82 -0.10 0.25 -1.14 0.00 0.00 176.83 176.61 1jtx h LEU 87 N 0.31 -0.23 -0.39 5.07 5.85 -0.79 -3.03 115.31 122.10 1jtx h LEU 87 Ca 0.02 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1jtx h LEU 87 Cb 0.93 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1jtx h LEU 87 CO 0.08 0.27 -0.12 0.71 -0.34 0.00 0.00 178.44 179.04 1jtx h THR 88 N -0.85 1.28 -0.29 1.05 1.35 -0.89 -2.84 112.91 111.73 1jtx h THR 88 Ca -0.03 -1.23 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 1jtx h THR 88 Cb 0.51 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1jtx h THR 88 CO 0.05 0.41 0.05 0.71 -0.25 0.00 0.00 175.52 176.48 1jtx h THR 89 N 0.57 1.15 -0.13 6.82 1.35 -1.13 -1.84 112.91 119.70 1jtx h THR 89 Ca 0.09 -0.54 -0.09 0.00 -0.55 0.00 0.00 66.41 65.32 1jtx h THR 89 Cb 0.66 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1jtx h THR 89 CO 0.04 0.19 -0.32 -0.08 -0.25 0.00 0.00 175.52 175.10 1jtx h GLU 90 N 0.41 0.26 -1.04 4.72 4.81 -1.39 -1.98 114.58 120.37 1jtx h GLU 90 Ca 0.10 -0.10 0.28 0.00 -0.13 0.00 0.00 59.36 59.50 1jtx h GLU 90 Cb 0.20 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 1jtx h GLU 90 CO -0.00 0.56 0.71 -0.92 -0.73 0.00 0.00 179.01 178.63 1jtx h TYR 91 N 0.23 0.37 0.00 0.92 3.20 -1.09 -2.60 116.97 118.00 1jtx h TYR 91 Ca 0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1jtx h TYR 91 Cb 0.68 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.77 1jtx h TYR 91 CO 0.01 0.04 -0.45 2.48 -1.64 0.00 0.00 178.16 178.60 1jtx n TYR 92 N -4.44 0.00 -2.47 -3.82 0.18 -0.96 -5.03 117.16 100.62 1jtx n TYR 92 Ca 0.24 -0.95 -0.43 0.00 1.88 0.00 0.00 57.90 58.64 1jtx n TYR 92 Cb 0.97 -0.17 -0.02 0.00 -0.38 0.00 0.00 39.34 39.74 1jtx n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1jtx s TYR 93 N -2.07 2.95 0.26 -3.48 6.04 -0.79 -4.92 117.35 115.34 1jtx s TYR 93 Ca 0.30 1.10 0.24 0.00 0.04 0.00 0.00 57.07 58.75 1jtx s TYR 93 Cb 0.29 -3.46 1.06 0.00 -1.04 0.00 0.00 41.96 38.82 1jtx s TYR 93 CO -0.05 -1.45 1.90 -1.00 -1.54 0.00 0.00 175.55 173.41 1jtx h PRO 94 N 8.04 0.00 0.00 4.97 0.13 -1.91 -2.73 132.00 140.50 1jtx h PRO 94 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1jtx h PRO 94 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jtx h PRO 94 CO 0.97 0.22 -0.28 -0.07 -0.23 0.00 0.00 178.00 178.61 1jtx h LEU 95 N 0.00 0.00 -0.85 1.56 3.38 -1.93 -3.38 115.31 114.09 1jtx h LEU 95 Ca -0.00 -0.05 0.30 0.00 0.09 0.00 0.00 57.88 58.22 1jtx h LEU 95 Cb 0.62 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.21 1jtx h LEU 95 CO 0.03 0.02 0.26 1.67 0.09 0.00 0.00 178.44 180.51 1jtx n GLN 96 N -2.54 -0.06 0.07 1.13 -0.06 -1.03 -0.14 117.38 114.75 1jtx n GLN 96 Ca 0.04 1.22 -0.16 0.00 -2.00 0.00 0.00 57.00 56.10 1jtx n GLN 96 Cb 0.48 -2.07 -0.08 0.00 -4.06 0.00 0.00 30.24 24.51 1jtx n GLN 96 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1jtx h ASN 97 N 0.00 0.63 -0.12 1.69 2.35 -1.81 -2.69 115.58 115.63 1jtx h ASN 97 Ca 0.63 -0.54 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1jtx h ASN 97 Cb 1.52 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 1jtx h ASN 97 CO -0.72 1.35 -0.22 0.00 -1.65 0.00 0.00 177.43 176.19 1jtx h ALA 98 N 0.60 1.08 0.53 -0.83 0.00 -0.80 -1.70 119.26 118.14 1jtx h ALA 98 Ca -0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1jtx h ALA 98 Cb 1.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1jtx h ALA 98 CO 0.19 0.56 -0.41 0.82 0.00 0.00 0.00 179.25 180.41 1jtx h ILE 99 N 0.49 0.00 -0.60 0.00 5.03 -0.84 -2.21 117.51 119.38 1jtx h ILE 99 Ca 0.07 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.93 1jtx h ILE 99 Cb 0.65 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.34 1jtx h ILE 99 CO 0.05 0.00 0.06 0.40 -0.68 0.00 0.00 178.15 177.97 1jtx h ILE 100 N -0.91 0.56 -0.13 -0.67 2.04 -1.31 0.42 117.51 117.52 1jtx h ILE 100 Ca -0.07 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1jtx h ILE 100 Cb 0.75 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1jtx h ILE 100 CO 0.02 0.03 0.15 -0.08 0.00 0.00 0.00 178.15 178.27 1jtx h GLU 101 N 0.17 0.00 0.00 2.37 4.81 -1.23 -2.15 114.58 118.55 1jtx h GLU 101 Ca 0.31 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1jtx h GLU 101 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1jtx h GLU 101 CO -0.47 0.00 -0.71 0.35 -0.73 0.00 0.00 179.01 177.45 1jtx h PHE 102 N 0.00 0.00 -0.51 0.92 3.04 0.36 -3.36 116.94 117.39 1jtx h PHE 102 Ca 0.06 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.15 1jtx h PHE 102 Cb 0.36 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 1jtx h PHE 102 CO 0.00 0.63 0.36 -0.92 -2.02 0.00 0.00 178.31 176.36 1jtx h TYR 103 N -1.00 0.07 -0.42 0.41 -0.00 -0.78 0.17 116.97 115.42 1jtx h TYR 103 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.60 1jtx h TYR 103 Cb 0.79 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.50 1jtx h TYR 103 CO -0.05 0.03 0.00 0.25 -0.00 0.00 0.00 178.16 178.39 1jtx n THR 104 N -4.41 0.99 0.00 1.81 -2.24 -0.81 -3.28 114.28 106.34 1jtx n THR 104 Ca 0.09 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1jtx n THR 104 Cb 0.54 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1jtx n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jtx n GLU 105 N 0.67 4.13 -2.30 -0.78 2.13 0.48 -4.78 120.64 120.20 1jtx n GLU 105 Ca 0.16 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.89 1jtx n GLU 105 Cb 0.54 -0.32 0.05 0.00 0.27 0.00 0.00 31.44 31.98 1jtx n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jtx n TYR 106 N -0.61 1.68 0.36 4.31 4.01 -0.46 -4.75 117.16 121.69 1jtx n TYR 106 Ca 0.00 -2.02 0.09 0.00 -0.16 0.00 0.00 57.90 55.82 1jtx n TYR 106 Cb 0.00 -0.27 0.15 0.00 -0.31 0.00 0.00 39.34 38.91 1jtx n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jtx n TYR 107 N -0.59 0.31 -0.56 -0.72 0.18 -1.21 -4.22 117.16 110.36 1jtx n TYR 107 Ca 0.22 -0.20 0.05 0.00 1.88 0.00 0.00 57.90 59.85 1jtx n TYR 107 Cb 0.88 -0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.91 1jtx n TYR 107 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1jtx n LYS 108 N 1.13 2.11 -4.28 -3.48 -0.00 -1.26 -4.95 118.16 107.43 1jtx n LYS 108 Ca 0.15 -2.07 -0.31 0.00 -0.00 0.00 0.00 58.31 56.08 1jtx n LYS 108 Cb 0.50 -1.26 -0.16 0.00 -0.00 0.00 0.00 35.03 34.11 1jtx n LYS 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jtx s THR 109 N -1.98 1.75 -0.28 0.58 2.01 -1.26 -5.02 115.64 111.44 1jtx s THR 109 Ca 0.17 -0.76 0.28 0.00 0.31 0.00 0.00 61.69 61.68 1jtx s THR 109 Cb 0.15 -1.59 0.32 0.00 0.01 0.00 0.00 72.50 71.39 1jtx s THR 109 CO 0.02 0.49 1.81 0.78 -0.69 0.00 0.00 174.62 177.03 1jtx h ASN 110 N 7.73 0.00 0.69 3.53 2.35 -1.92 -1.81 115.58 126.14 1jtx h ASN 110 Ca -0.37 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1jtx h ASN 110 Cb 1.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1jtx h ASN 110 CO 0.55 0.00 -0.44 -1.28 -1.65 0.00 0.00 177.43 174.60 1jtx h SER 111 N 0.00 -1.13 0.75 5.81 0.87 -1.95 -2.28 113.55 115.63 1jtx h SER 111 Ca 0.00 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1jtx h SER 111 Cb 0.57 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1jtx h SER 111 CO 0.00 -0.67 -0.49 0.40 -0.53 0.00 0.00 176.83 175.54 1jtx h ILE 112 N -1.07 1.14 0.00 2.23 5.03 -1.84 -3.09 117.51 119.91 1jtx h ILE 112 Ca -0.09 -1.81 0.00 0.00 -0.12 0.00 0.00 64.86 62.84 1jtx h ILE 112 Cb 0.87 2.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.70 1jtx h ILE 112 CO 0.08 0.48 0.00 0.59 -0.68 0.00 0.00 178.15 178.61 1jtx n ASN 113 N -3.65 0.72 -0.06 1.72 3.02 -0.69 -1.86 115.26 114.46 1jtx n ASN 113 Ca -0.01 0.64 -0.02 0.00 -0.03 0.00 0.00 54.58 55.16 1jtx n ASN 113 Cb 0.56 -0.80 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 1jtx n ASN 113 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1jtx h GLU 114 N 0.00 0.00 0.00 3.52 4.22 -1.32 -3.28 114.58 117.71 1jtx h GLU 114 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1jtx h GLU 114 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1jtx h GLU 114 CO 0.00 0.02 -0.07 0.87 -2.18 0.00 0.00 179.01 177.64 1jtx h LYS 115 N -1.00 0.00 0.00 1.92 1.57 -1.64 0.14 116.57 117.56 1jtx h LYS 115 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jtx h LYS 115 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jtx h LYS 115 CO -0.00 0.07 0.00 -1.33 -0.57 0.00 0.00 179.45 177.62 1jtx n MET 116 N -4.27 0.46 -0.07 3.15 2.81 -0.78 -2.70 117.12 115.71 1jtx n MET 116 Ca -0.03 0.03 -0.18 0.00 -1.81 0.00 0.00 57.70 55.72 1jtx n MET 116 Cb 0.15 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.03 1jtx n MET 116 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1jtx n ASN 117 N -1.24 1.75 0.27 7.83 5.15 0.47 -3.04 115.26 126.47 1jtx n ASN 117 Ca 0.14 0.04 0.17 0.00 -0.60 0.00 0.00 54.58 54.32 1jtx n ASN 117 Cb 0.19 -0.40 0.70 0.00 -0.53 0.00 0.00 39.78 39.74 1jtx n ASN 117 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1jtx h LYS 118 N 0.03 0.00 0.03 1.20 1.57 -1.43 -0.83 116.57 117.13 1jtx h LYS 118 Ca -0.50 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.12 1jtx h LYS 118 Cb 1.99 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.32 1jtx h LYS 118 CO -0.00 0.04 -0.64 1.25 -0.57 0.00 0.00 179.45 179.52 1jtx h LEU 119 N 0.00 0.51 -0.71 2.94 5.85 -1.62 -3.14 115.31 119.14 1jtx h LEU 119 Ca -0.00 -0.80 -0.14 0.00 0.84 0.00 0.00 57.88 57.78 1jtx h LEU 119 Cb 0.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1jtx h LEU 119 CO 0.00 1.26 -0.58 -0.33 -0.34 0.00 0.00 178.44 178.45 1jtx h GLU 120 N -0.17 0.20 -0.36 1.25 5.08 -1.38 -2.80 114.58 116.41 1jtx h GLU 120 Ca -0.09 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1jtx h GLU 120 Cb 1.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1jtx h GLU 120 CO 0.13 0.72 0.16 -0.91 -1.00 0.00 0.00 179.01 178.11 1jtx h ASN 121 N 0.15 0.45 -0.64 1.42 -0.26 -1.21 -0.11 115.58 115.38 1jtx h ASN 121 Ca -0.00 -0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 1jtx h ASN 121 Cb 1.06 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.18 1jtx h ASN 121 CO 0.09 0.40 0.20 0.11 -1.06 0.00 0.00 177.43 177.17 1jtx h LYS 122 N 0.51 0.99 -0.63 0.81 1.57 -1.45 -1.58 116.57 116.79 1jtx h LYS 122 Ca 0.13 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1jtx h LYS 122 Cb 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1jtx h LYS 122 CO -0.02 0.87 0.13 -0.92 -0.57 0.00 0.00 179.45 178.94 1jtx h TYR 123 N 0.92 1.07 0.00 -1.35 3.20 -1.15 -2.25 116.97 117.40 1jtx h TYR 123 Ca 0.21 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1jtx h TYR 123 Cb 0.29 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1jtx h TYR 123 CO 0.02 0.89 -0.07 0.82 -1.64 0.00 0.00 178.16 178.18 1jtx h ILE 124 N 0.96 0.26 -0.62 1.81 2.04 -0.56 -3.07 117.51 118.33 1jtx h ILE 124 Ca 0.20 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1jtx h ILE 124 Cb 0.38 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1jtx h ILE 124 CO 0.01 0.06 0.17 0.44 0.00 0.00 0.00 178.15 178.83 1jtx h ASP 125 N 0.00 0.89 -0.75 1.72 3.45 -0.67 -1.86 116.42 119.20 1jtx h ASP 125 Ca -0.00 -0.16 0.14 0.00 0.43 0.00 0.00 57.03 57.44 1jtx h ASP 125 Cb 0.36 -0.23 -0.09 0.00 -0.56 0.00 0.00 39.33 38.81 1jtx h ASP 125 CO 0.01 0.85 0.30 0.00 -1.57 0.00 0.00 179.24 178.83 1jtx h ALA 126 N 1.26 1.05 0.01 3.45 0.00 -1.63 0.15 119.26 123.56 1jtx h ALA 126 Ca 0.20 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jtx h ALA 126 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jtx h ALA 126 CO -0.00 -0.21 -0.01 1.88 0.00 0.00 0.00 179.25 180.91 1jtx h TYR 127 N 0.44 -0.01 -0.33 0.00 0.05 -1.65 -1.90 116.97 113.56 1jtx h TYR 127 Ca 0.41 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.25 1jtx h TYR 127 Cb 0.63 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.29 1jtx h TYR 127 CO -0.17 0.36 -0.44 1.25 -1.05 0.00 0.00 178.16 178.11 1jtx h HIS 128 N -0.39 -1.29 -0.47 4.88 2.76 -0.50 0.13 115.15 120.27 1jtx h HIS 128 Ca -0.00 0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 1jtx h HIS 128 Cb 0.38 0.61 -0.09 0.00 1.55 0.00 0.00 27.41 29.86 1jtx h HIS 128 CO 0.05 -0.46 -0.14 0.28 -1.30 0.00 0.00 177.93 176.37 1jtx h VAL 129 N -0.38 0.49 -0.02 5.26 2.07 -0.60 0.66 116.25 123.72 1jtx h VAL 129 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1jtx h VAL 129 Cb 0.60 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1jtx h VAL 129 CO -0.53 0.00 -0.42 0.40 0.02 0.00 0.00 177.57 177.05 1jtx h ILE 130 N -0.03 0.00 -0.39 4.57 1.08 -0.22 -1.32 117.51 121.20 1jtx h ILE 130 Ca 0.23 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 1jtx h ILE 130 Cb 0.37 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 1jtx h ILE 130 CO -0.50 0.00 0.20 -0.26 -0.69 0.00 0.00 178.15 176.90 1jtx h PHE 131 N -0.51 0.36 -0.35 1.37 0.04 0.00 0.21 116.94 118.07 1jtx h PHE 131 Ca 0.01 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.85 1jtx h PHE 131 Cb 0.55 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1jtx h PHE 131 CO -0.50 0.19 0.07 -0.22 -0.60 0.00 0.00 178.31 177.25 1jtx h LYS 132 N 0.40 0.19 -0.45 1.51 3.64 -0.80 -1.83 116.57 119.21 1jtx h LYS 132 Ca 0.17 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1jtx h LYS 132 Cb 0.07 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1jtx h LYS 132 CO -0.12 0.12 0.02 0.93 -2.27 0.00 0.00 179.45 178.13 1jtx h GLU 133 N 0.19 0.73 0.00 1.90 4.39 -0.65 -2.14 114.58 119.00 1jtx h GLU 133 Ca 0.17 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1jtx h GLU 133 Cb 0.19 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1jtx h GLU 133 CO -0.22 0.73 -0.19 0.78 -1.16 0.00 0.00 179.01 178.96 1jtx h GLY 134 N 0.95 0.00 0.71 -3.84 0.00 -0.02 -2.84 103.07 98.03 1jtx h GLY 134 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1jtx h GLY 134 CO 0.01 0.00 -0.27 3.43 0.00 0.00 0.00 176.54 179.72 1jtx h ASN 135 N 0.00 -0.63 0.00 0.19 2.35 -0.69 0.27 115.58 117.07 1jtx h ASN 135 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1jtx h ASN 135 Cb 0.40 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1jtx h ASN 135 CO 0.02 -0.27 0.00 0.18 -1.65 0.00 0.00 177.43 175.72 1jtx n LEU 136 N -5.31 0.11 -0.35 1.61 4.32 -1.06 -0.70 117.00 115.62 1jtx n LEU 136 Ca -0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1jtx n LEU 136 Cb 0.33 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 1jtx n LEU 136 CO 0.30 0.03 0.22 0.59 -1.22 0.00 0.00 177.39 177.30 1jtx n ASN 137 N 0.50 0.00 -3.24 -1.43 4.13 -1.12 -4.98 115.26 109.12 1jtx n ASN 137 Ca 0.00 -1.41 -0.21 0.00 1.68 0.00 0.00 54.58 54.64 1jtx n ASN 137 Cb 0.03 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.17 1jtx n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jtx n GLY 138 N 0.00 -0.48 0.06 7.41 0.00 0.12 -4.71 105.19 107.59 1jtx n GLY 138 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1jtx n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jtx h GLU 139 N -0.71 0.01 0.00 1.61 5.08 -0.68 -3.48 114.58 116.40 1jtx h GLU 139 Ca -0.37 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1jtx h GLU 139 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1jtx h GLU 139 CO 0.47 0.95 0.44 -2.67 -1.00 0.00 0.00 179.01 177.20 1jtx n TRP 140 N -3.32 -1.30 -3.41 4.33 2.14 -1.16 -5.02 117.44 109.71 1jtx n TRP 140 Ca -0.02 -1.06 -0.22 0.00 2.07 0.00 0.00 57.50 58.26 1jtx n TRP 140 Cb 0.95 0.52 -0.10 0.00 -0.81 0.00 0.00 31.31 31.88 1jtx n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1jtx s SER 141 N -2.91 1.99 -0.20 -0.67 0.15 -1.26 -4.18 113.70 106.62 1jtx s SER 141 Ca 0.18 -1.85 -0.12 0.00 0.70 0.00 0.00 55.95 54.85 1jtx s SER 141 Cb -0.02 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 1jtx s SER 141 CO 0.05 -0.28 0.22 -0.63 1.20 0.00 0.00 173.24 173.79 1jtx s ILE 142 N 1.27 5.34 -2.27 6.45 1.09 -1.26 -4.94 121.20 126.89 1jtx s ILE 142 Ca 0.17 0.35 0.25 0.00 -1.10 0.00 0.00 60.65 60.32 1jtx s ILE 142 Cb -0.19 -3.56 0.22 0.00 -1.06 0.00 0.00 42.46 37.88 1jtx s ILE 142 CO -0.02 0.37 1.38 -0.46 -0.10 0.00 0.00 174.94 176.12 1jtx n ASN 143 N 3.90 1.88 -2.48 3.58 2.04 -1.26 -4.26 115.26 118.65 1jtx n ASN 143 Ca -0.14 -1.46 -0.18 0.00 -0.44 0.00 0.00 54.58 52.37 1jtx n ASN 143 Cb 0.52 0.19 0.02 0.00 -2.53 0.00 0.00 39.78 37.97 1jtx n ASN 143 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1jtx n ASP 144 N 0.16 3.47 -0.33 0.53 5.75 -1.26 -4.92 116.55 119.95 1jtx n ASP 144 Ca 0.13 -3.24 0.22 0.00 -0.01 0.00 0.00 54.79 51.89 1jtx n ASP 144 Cb 0.44 -0.46 0.42 0.00 -1.03 0.00 0.00 41.12 40.50 1jtx n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1jtx h VAL 145 N 3.00 0.06 -0.28 2.12 2.07 -1.98 0.26 116.25 121.50 1jtx h VAL 145 Ca 0.15 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.66 1jtx h VAL 145 Cb 1.16 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1jtx h VAL 145 CO 0.65 0.01 0.18 0.78 0.02 0.00 0.00 177.57 179.21 1jtx h ASN 146 N 0.04 0.30 0.16 0.57 2.35 -1.96 -1.00 115.58 116.04 1jtx h ASN 146 Ca 0.70 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.44 1jtx h ASN 146 Cb 1.65 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1jtx h ASN 146 CO -0.82 0.22 -0.08 0.00 -1.65 0.00 0.00 177.43 175.10 1jtx h ALA 147 N 1.11 -0.22 -0.98 -0.83 0.00 -0.97 -2.57 119.26 114.81 1jtx h ALA 147 Ca 0.11 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1jtx h ALA 147 Cb -0.03 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1jtx h ALA 147 CO -0.03 -0.42 0.59 0.28 0.00 0.00 0.00 179.25 179.67 1jtx h VAL 148 N -0.63 0.78 -0.21 0.00 2.07 -1.13 -0.80 116.25 116.33 1jtx h VAL 148 Ca -0.02 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1jtx h VAL 148 Cb 0.47 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1jtx h VAL 148 CO 0.04 0.15 0.03 0.28 0.02 0.00 0.00 177.57 178.09 1jtx h SER 149 N 0.83 -0.01 -0.76 0.57 0.02 -1.08 0.70 113.55 113.82 1jtx h SER 149 Ca 0.54 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 1jtx h SER 149 Cb 0.73 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1jtx h SER 149 CO -0.34 0.03 0.46 0.11 -1.14 0.00 0.00 176.83 175.94 1jtx h LYS 150 N 0.11 1.04 0.61 3.45 1.57 -0.77 -1.62 116.57 120.96 1jtx h LYS 150 Ca 0.10 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1jtx h LYS 150 Cb 0.10 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1jtx h LYS 150 CO -0.14 0.74 -0.29 0.82 -0.57 0.00 0.00 179.45 180.00 1jtx h ILE 151 N 1.06 0.34 -0.52 1.86 2.04 -0.72 -1.89 117.51 119.68 1jtx h ILE 151 Ca 0.28 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 66.05 1jtx h ILE 151 Cb -0.03 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 36.35 1jtx h ILE 151 CO -0.05 0.03 -0.16 0.00 0.00 0.00 0.00 178.15 177.96 1jtx h ALA 152 N -0.65 0.28 -0.11 1.87 0.00 -0.67 0.40 119.26 120.38 1jtx h ALA 152 Ca -0.08 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1jtx h ALA 152 Cb 0.67 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1jtx h ALA 152 CO 0.14 -0.48 -0.15 0.00 0.00 0.00 0.00 179.25 178.76 1jtx h ALA 153 N 1.43 -0.09 -0.22 0.00 0.00 -1.21 -0.59 119.26 118.58 1jtx h ALA 153 Ca 0.25 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1jtx h ALA 153 Cb 0.42 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1jtx h ALA 153 CO -0.56 -0.61 -0.52 -0.91 0.00 0.00 0.00 179.25 176.66 1jtx h ASN 154 N -0.20 0.68 0.15 0.00 2.35 -0.46 -1.08 115.58 117.03 1jtx h ASN 154 Ca 0.09 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1jtx h ASN 154 Cb 0.32 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1jtx h ASN 154 CO -0.23 1.07 -0.07 0.00 -1.65 0.00 0.00 177.43 176.55 1jtx h ALA 155 N 0.95 -0.20 -0.05 -0.83 0.00 -0.08 -1.34 119.26 117.70 1jtx h ALA 155 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jtx h ALA 155 Cb 1.07 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1jtx h ALA 155 CO 0.10 -0.53 -0.09 0.28 0.00 0.00 0.00 179.25 179.02 1jtx h VAL 156 N -0.36 0.76 -0.01 0.00 2.07 -1.07 -1.14 116.25 116.50 1jtx h VAL 156 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1jtx h VAL 156 Cb 0.29 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1jtx h VAL 156 CO 0.03 0.00 0.01 0.78 0.02 0.00 0.00 177.57 178.41 1jtx h ASN 157 N -0.12 0.00 -0.08 0.57 2.35 -1.14 0.15 115.58 117.31 1jtx h ASN 157 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1jtx h ASN 157 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1jtx h ASN 157 CO -0.13 0.00 0.01 1.23 -1.65 0.00 0.00 177.43 176.89 1jtx h GLY 158 N 0.00 0.14 1.39 2.83 0.00 -0.08 0.29 103.07 107.64 1jtx h GLY 158 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1jtx h GLY 158 CO -0.00 0.09 0.34 -2.22 0.00 0.00 0.00 176.54 174.74 1jtx h ILE 159 N -0.12 1.18 0.14 2.60 2.04 0.18 -1.21 117.51 122.32 1jtx h ILE 159 Ca 0.02 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1jtx h ILE 159 Cb 0.30 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1jtx h ILE 159 CO 0.00 0.19 -0.07 0.58 0.00 0.00 0.00 178.15 178.86 1jtx h VAL 160 N 0.82 1.01 -0.63 1.67 2.07 -0.50 -3.37 116.25 117.32 1jtx h VAL 160 Ca 0.21 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1jtx h VAL 160 Cb 0.00 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1jtx h VAL 160 CO -0.04 0.22 0.20 0.74 0.02 0.00 0.00 177.57 178.71 1jtx h THR 161 N -0.69 1.25 -2.54 2.57 2.02 -0.25 -3.37 112.91 111.90 1jtx h THR 161 Ca -0.02 -0.84 -0.72 0.00 0.77 0.00 0.00 66.41 65.60 1jtx h THR 161 Cb 0.51 0.60 -0.34 0.00 -1.74 0.00 0.00 68.15 67.18 1jtx h THR 161 CO 0.03 0.32 0.22 0.49 0.37 0.00 0.00 175.52 176.95 1jtx n PHE 162 N -4.37 2.93 -1.35 3.16 3.01 -0.47 -4.51 117.46 115.85 1jtx n PHE 162 Ca 0.04 -3.24 0.00 0.00 1.01 0.00 0.00 57.45 55.26 1jtx n PHE 162 Cb 0.21 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 1jtx n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jtx n THR 163 N 0.87 0.00 0.00 4.37 -1.04 -1.26 -4.89 114.28 112.33 1jtx n THR 163 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1jtx n THR 163 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1jtx n THR 163 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jtx n HIS 164 N 0.00 0.00 -2.80 -1.42 8.25 -1.26 -2.90 115.22 115.09 1jtx n HIS 164 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1jtx n HIS 164 Cb 0.09 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1jtx n HIS 164 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1jtx n GLU 165 N -0.81 4.48 -3.46 -0.41 0.00 -1.26 -4.93 120.64 114.25 1jtx n GLU 165 Ca 0.00 -4.74 -0.14 0.00 0.00 0.00 0.00 57.16 52.28 1jtx n GLU 165 Cb 0.30 -2.38 -0.03 0.00 0.00 0.00 0.00 31.44 29.32 1jtx n GLU 165 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1jtx s GLN 166 N -3.87 1.15 0.29 3.44 -0.21 -1.14 -5.14 119.66 114.17 1jtx s GLN 166 Ca 0.42 -0.21 -0.28 0.00 0.02 0.00 0.00 55.36 55.31 1jtx s GLN 166 Cb 0.22 0.54 -0.09 0.00 1.00 0.00 0.00 33.01 34.67 1jtx s GLN 166 CO -0.12 -0.46 1.02 0.54 -2.12 0.00 0.00 175.29 174.15 1jtx s ASN 167 N -2.19 7.32 0.49 5.90 4.22 -1.26 -4.86 114.94 124.57 1jtx s ASN 167 Ca -0.03 2.07 0.39 0.00 -2.14 0.00 0.00 52.86 53.16 1jtx s ASN 167 Cb -0.01 -2.61 1.59 0.00 1.28 0.00 0.00 41.25 41.50 1jtx s ASN 167 CO -0.05 -0.09 1.58 -0.29 -2.04 0.00 0.00 177.10 176.22 1jtx h ILE 168 N 2.91 0.02 -0.63 0.54 6.09 -1.98 0.35 117.51 124.81 1jtx h ILE 168 Ca -0.46 -0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 62.99 1jtx h ILE 168 Cb 1.21 0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 1jtx h ILE 168 CO 0.66 0.00 0.28 0.78 -3.07 0.00 0.00 178.15 176.81 1jtx h ASN 169 N 0.01 0.85 -0.43 2.19 4.21 -1.99 -1.17 115.58 119.25 1jtx h ASN 169 Ca 0.90 -0.15 -0.02 0.00 1.21 0.00 0.00 56.30 58.24 1jtx h ASN 169 Cb 3.18 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 40.14 1jtx h ASN 169 CO -0.28 0.76 0.18 -0.08 -1.29 0.00 0.00 177.43 176.72 1jtx h GLU 170 N 0.88 0.64 0.06 0.81 4.22 -0.67 0.93 114.58 121.45 1jtx h GLU 170 Ca 0.21 -0.11 0.02 0.00 0.08 0.00 0.00 59.36 59.57 1jtx h GLU 170 Cb 0.15 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1jtx h GLU 170 CO -0.02 0.59 -0.25 0.00 -2.18 0.00 0.00 179.01 177.15 1jtx h ARG 171 N 0.55 -0.40 -0.97 1.92 2.47 -1.33 0.29 114.38 116.92 1jtx h ARG 171 Ca 0.14 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1jtx h ARG 171 Cb 0.18 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.53 1jtx h ARG 171 CO -0.01 -0.27 0.63 0.82 0.56 0.00 0.00 179.97 181.70 1jtx h ILE 172 N -0.42 1.13 -0.03 2.04 1.08 -0.89 0.15 117.51 120.58 1jtx h ILE 172 Ca 0.05 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1jtx h ILE 172 Cb 0.47 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1jtx h ILE 172 CO -0.18 0.22 0.02 0.50 -0.69 0.00 0.00 178.15 178.01 1jtx h LYS 173 N 1.18 0.05 -0.36 2.37 3.11 0.47 -1.33 116.57 122.05 1jtx h LYS 173 Ca 0.40 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.25 1jtx h LYS 173 Cb 0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 1jtx h LYS 173 CO -0.14 0.12 0.19 -0.07 -2.81 0.00 0.00 179.45 176.75 1jtx h LEU 174 N -0.05 0.30 -0.57 5.20 3.38 0.33 0.11 115.31 124.02 1jtx h LEU 174 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jtx h LEU 174 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jtx h LEU 174 CO -0.00 0.22 0.22 -0.03 0.09 0.00 0.00 178.44 178.93 1jtx h MET 175 N 0.40 0.85 -0.66 1.13 4.05 -0.60 0.16 114.93 120.25 1jtx h MET 175 Ca 0.15 -0.16 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 1jtx h MET 175 Cb 0.04 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 1jtx h MET 175 CO -0.09 0.75 0.14 -0.91 0.23 0.00 0.00 176.91 177.02 1jtx h ASN 176 N 0.78 1.01 -0.58 1.39 2.35 -0.96 0.12 115.58 119.69 1jtx h ASN 176 Ca 0.19 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1jtx h ASN 176 Cb 0.22 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1jtx h ASN 176 CO -0.01 0.99 0.37 0.50 -1.65 0.00 0.00 177.43 177.62 1jtx h LYS 177 N 1.01 0.71 -0.47 0.81 1.63 -0.58 -0.86 116.57 118.82 1jtx h LYS 177 Ca 0.21 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1jtx h LYS 177 Cb 0.39 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1jtx h LYS 177 CO 0.01 0.47 0.31 0.35 -3.45 0.00 0.00 179.45 177.13 1jtx h PHE 178 N 0.74 0.58 -0.26 1.91 3.57 0.05 -1.15 116.94 122.38 1jtx h PHE 178 Ca 0.23 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1jtx h PHE 178 Cb -0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1jtx h PHE 178 CO -0.05 0.36 0.11 0.77 -2.23 0.00 0.00 178.31 177.27 1jtx h SER 179 N 0.62 0.32 0.22 0.41 0.02 -0.07 -0.11 113.55 114.97 1jtx h SER 179 Ca 0.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1jtx h SER 179 Cb -0.06 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1jtx h SER 179 CO -0.05 0.29 -0.11 -0.61 -1.14 0.00 0.00 176.83 175.21 1jtx h GLN 180 N 0.36 -0.28 0.11 3.45 4.15 -0.20 -1.24 115.11 121.46 1jtx h GLN 180 Ca 0.09 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1jtx h GLN 180 Cb 0.06 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1jtx h GLN 180 CO -0.01 0.04 -0.24 0.82 -1.93 0.00 0.00 178.83 177.51 1jtx h ILE 181 N -0.63 0.47 -0.73 2.39 2.04 -0.95 -0.36 117.51 119.73 1jtx h ILE 181 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1jtx h ILE 181 Cb 0.45 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1jtx h ILE 181 CO 0.05 0.00 0.44 0.15 0.00 0.00 0.00 178.15 178.79 1jtx h PHE 182 N -0.44 0.82 0.00 1.37 3.04 -1.05 0.16 116.94 120.84 1jtx h PHE 182 Ca 0.03 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.90 1jtx h PHE 182 Cb 0.46 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1jtx h PHE 182 CO -0.23 0.42 -0.52 1.25 -2.02 0.00 0.00 178.31 177.22 1jtx h LEU 183 N 0.82 0.00 -0.49 0.59 5.85 -1.01 -2.74 115.31 118.33 1jtx h LEU 183 Ca 0.32 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.87 1jtx h LEU 183 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1jtx h LEU 183 CO -0.16 0.52 -0.73 -1.13 -0.34 0.00 0.00 178.44 176.60 1jtx h ASN 184 N 0.00 0.22 0.00 1.25 -0.73 -0.21 -3.27 115.58 112.84 1jtx h ASN 184 Ca -0.01 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.01 1jtx h ASN 184 Cb 0.95 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.47 1jtx h ASN 184 CO 0.07 0.87 0.00 0.61 -0.37 0.00 0.00 177.43 178.61 1jtx n GLY 185 N 0.55 0.00 2.57 1.57 0.00 0.49 -1.37 105.19 109.00 1jtx n GLY 185 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1jtx n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jtx n LEU 186 N 0.43 2.90 0.00 0.99 4.77 -1.24 -5.07 117.00 119.78 1jtx n LEU 186 Ca 0.00 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 1jtx n LEU 186 Cb 0.00 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1jtx n LEU 186 CO 0.00 1.82 0.00 -0.24 -1.33 0.00 0.00 177.39 177.64