#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtx n LEU 3 N 0.00 0.57 -0.03 1.20 7.99 -1.26 -3.73 117.00 121.75 1jtx n LEU 3 Ca 0.00 0.04 0.24 0.00 -0.01 0.00 0.00 56.01 56.28 1jtx n LEU 3 Cb 0.00 -0.15 0.71 0.00 -0.11 0.00 0.00 43.42 43.87 1jtx n LEU 3 CO 0.00 -0.15 1.22 0.07 -1.51 0.00 0.00 177.39 177.02 1jtx h LYS 4 N 0.00 0.00 0.00 3.23 2.10 -2.00 0.40 116.57 120.30 1jtx h LYS 4 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jtx h LYS 4 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jtx h LYS 4 CO 0.00 0.00 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.08 1jtx n ASP 5 N -3.81 0.45 0.02 7.07 9.92 -1.26 -2.05 116.55 126.89 1jtx n ASP 5 Ca 0.13 0.41 -0.17 0.00 -0.53 0.00 0.00 54.79 54.63 1jtx n ASP 5 Cb 0.83 -0.46 -0.14 0.00 -0.64 0.00 0.00 41.12 40.70 1jtx n ASP 5 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1jtx h LYS 6 N 0.00 0.20 0.05 -1.24 1.63 -0.30 -3.29 116.57 113.63 1jtx h LYS 6 Ca 0.00 -0.35 -0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1jtx h LYS 6 Cb 0.62 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1jtx h LYS 6 CO 0.00 1.02 -0.03 0.82 -3.45 0.00 0.00 179.45 177.81 1jtx h ILE 7 N 0.06 0.00 -0.97 2.00 1.08 -1.50 -3.08 117.51 115.11 1jtx h ILE 7 Ca -0.32 -0.01 0.38 0.00 -0.39 0.00 0.00 64.86 64.52 1jtx h ILE 7 Cb 2.03 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 35.63 1jtx h ILE 7 CO 0.12 0.00 0.55 0.18 -0.69 0.00 0.00 178.15 178.31 1jtx n LEU 8 N -2.21 0.28 -0.10 1.44 4.77 -0.87 0.20 117.00 120.51 1jtx n LEU 8 Ca -0.01 1.41 -0.11 0.00 -0.03 0.00 0.00 56.01 57.28 1jtx n LEU 8 Cb 0.03 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1jtx n LEU 8 CO 0.02 -1.57 0.79 1.23 -1.33 0.00 0.00 177.39 176.53 1jtx h GLY 9 N 0.00 0.52 0.99 -0.72 0.00 -1.62 -1.08 103.07 101.17 1jtx h GLY 9 Ca 0.76 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.60 1jtx h GLY 9 CO -0.62 0.34 -0.29 -2.08 0.00 0.00 0.00 176.54 173.89 1jtx h VAL 10 N 0.29 1.30 0.15 4.60 2.07 -0.16 -0.94 116.25 123.55 1jtx h VAL 10 Ca 0.08 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1jtx h VAL 10 Cb 0.38 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1jtx h VAL 10 CO 0.01 0.47 -0.22 0.00 0.02 0.00 0.00 177.57 177.85 1jtx h ALA 11 N 0.72 -0.85 -1.10 1.67 0.00 -1.12 0.53 119.26 119.11 1jtx h ALA 11 Ca 0.05 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1jtx h ALA 11 Cb 0.86 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1jtx h ALA 11 CO 0.07 -0.88 0.68 -0.22 0.00 0.00 0.00 179.25 178.90 1jtx h LYS 12 N -0.39 0.28 0.57 0.00 3.64 -1.21 0.62 116.57 120.10 1jtx h LYS 12 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1jtx h LYS 12 Cb 0.35 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1jtx h LYS 12 CO -0.07 0.19 -0.41 1.49 -2.27 0.00 0.00 179.45 178.38 1jtx h GLU 13 N 0.29 -0.92 -0.33 1.90 4.22 0.60 -2.67 114.58 117.68 1jtx h GLU 13 Ca 0.71 0.06 -0.10 0.00 0.08 0.00 0.00 59.36 60.11 1jtx h GLU 13 Cb 1.85 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 1jtx h GLU 13 CO -0.45 -0.61 -0.19 -0.07 -2.18 0.00 0.00 179.01 175.51 1jtx h LEU 14 N -0.95 0.73 -1.31 1.64 4.07 0.45 -1.88 115.31 118.06 1jtx h LEU 14 Ca -0.07 -0.42 0.17 0.00 0.08 0.00 0.00 57.88 57.64 1jtx h LEU 14 Cb 0.79 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 42.26 1jtx h LEU 14 CO 0.03 0.99 0.59 -0.26 -1.08 0.00 0.00 178.44 178.71 1jtx h PHE 15 N 0.47 0.77 0.06 1.13 0.05 -0.02 0.28 116.94 119.68 1jtx h PHE 15 Ca 0.07 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.88 1jtx h PHE 15 Cb 0.73 -0.24 0.00 0.00 2.00 0.00 0.00 35.95 38.44 1jtx h PHE 15 CO 0.06 0.24 -0.03 0.82 -0.18 0.00 0.00 178.31 179.22 1jtx h ILE 16 N 0.61 0.13 -0.12 -0.55 2.04 -1.45 -2.55 117.51 115.62 1jtx h ILE 16 Ca 0.48 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1jtx h ILE 16 Cb 0.90 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1jtx h ILE 16 CO -0.23 0.04 0.25 0.50 0.00 0.00 0.00 178.15 178.72 1jtx h LYS 17 N -1.02 0.00 0.00 2.37 3.64 -1.01 -3.35 116.57 117.20 1jtx h LYS 17 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jtx h LYS 17 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1jtx h LYS 17 CO 0.01 0.00 -0.60 0.09 -2.27 0.00 0.00 179.45 176.68 1jtx n ASN 18 N -3.34 1.33 0.00 4.20 3.02 0.96 -5.05 115.26 116.38 1jtx n ASN 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jtx n ASN 18 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 2.57 3.63 0.00 7.41 0.00 -0.96 -4.73 105.19 113.11 1jtx n GLY 19 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1jtx n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jtx n TYR 20 N -1.54 0.00 -0.17 1.61 9.36 -1.26 -2.35 117.16 122.81 1jtx n TYR 20 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1jtx n TYR 20 Cb 0.00 -0.22 0.01 0.00 -0.63 0.00 0.00 39.34 38.49 1jtx n TYR 20 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1jtx h ASN 21 N 0.00 0.74 -0.73 2.98 2.35 -1.94 -2.72 115.58 116.26 1jtx h ASN 21 Ca 0.00 -0.23 0.27 0.00 -0.55 0.00 0.00 56.30 55.79 1jtx h ASN 21 Cb 0.00 -0.20 -0.13 0.00 0.05 0.00 0.00 38.32 38.04 1jtx h ASN 21 CO 0.00 0.78 0.27 0.00 -1.65 0.00 0.00 177.43 176.82 1jtx n ALA 22 N -2.38 0.62 -2.78 -0.83 0.00 -1.18 -3.76 120.51 110.20 1jtx n ALA 22 Ca 0.01 0.75 -0.36 0.00 0.00 0.00 0.00 53.44 53.84 1jtx n ALA 22 Cb 0.22 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1jtx n ALA 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jtx s THR 23 N -5.28 5.42 0.30 0.00 -4.23 -0.99 -4.93 115.64 105.92 1jtx s THR 23 Ca -0.07 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1jtx s THR 23 Cb 0.24 -3.47 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 1jtx s THR 23 CO 0.57 0.53 -0.03 0.28 -0.54 0.00 0.00 174.62 175.43 1jtx s THR 24 N -0.39 1.55 0.18 3.99 -1.32 -1.25 -4.91 115.64 113.49 1jtx s THR 24 Ca 0.13 -2.08 -0.13 0.00 -1.21 0.00 0.00 61.69 58.40 1jtx s THR 24 Cb -0.12 -2.56 0.07 0.00 -1.51 0.00 0.00 72.50 68.38 1jtx s THR 24 CO 0.03 -0.21 1.79 0.71 -2.21 0.00 0.00 174.62 174.72 1jtx h THR 25 N 2.21 0.97 -0.64 5.08 1.35 -1.98 -2.09 112.91 117.80 1jtx h THR 25 Ca -0.40 -0.17 0.06 0.00 -0.55 0.00 0.00 66.41 65.35 1jtx h THR 25 Cb 1.24 0.42 -0.09 0.00 -1.73 0.00 0.00 68.15 67.98 1jtx h THR 25 CO 0.69 0.09 -0.54 1.23 -0.25 0.00 0.00 175.52 176.73 1jtx h GLY 26 N 0.50 -1.01 -0.07 5.82 0.00 -2.01 -2.05 103.07 104.26 1jtx h GLY 26 Ca 0.22 0.77 0.01 0.00 0.00 0.00 0.00 47.33 48.33 1jtx h GLY 26 CO -0.15 -0.08 -0.21 0.83 0.00 0.00 0.00 176.54 176.93 1jtx h GLU 27 N -0.21 -0.21 -0.67 4.80 5.08 -1.82 -2.90 114.58 118.66 1jtx h GLU 27 Ca 0.11 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1jtx h GLU 27 Cb 0.49 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 1jtx h GLU 27 CO -0.71 -0.14 -0.29 -0.89 -1.00 0.00 0.00 179.01 175.98 1jtx n ILE 28 N -3.69 -0.38 0.06 3.13 2.08 -0.82 0.09 119.36 119.83 1jtx n ILE 28 Ca -0.02 1.59 -0.14 0.00 0.56 0.00 0.00 62.75 64.73 1jtx n ILE 28 Cb 0.14 -2.07 -0.08 0.00 -0.75 0.00 0.00 39.64 36.89 1jtx n ILE 28 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1jtx h VAL 29 N 0.00 0.10 -0.77 1.39 2.07 -1.22 -2.54 116.25 115.29 1jtx h VAL 29 Ca 0.21 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 1jtx h VAL 29 Cb 0.37 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.14 1jtx h VAL 29 CO -0.66 0.00 -0.37 1.17 0.02 0.00 0.00 177.57 177.73 1jtx n LYS 30 N -5.46 -0.25 -1.62 1.57 4.81 0.11 0.40 118.16 117.72 1jtx n LYS 30 Ca -0.06 1.17 -0.35 0.00 -0.87 0.00 0.00 58.31 58.20 1jtx n LYS 30 Cb 0.38 -1.73 0.06 0.00 0.02 0.00 0.00 35.03 33.76 1jtx n LYS 30 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1jtx n LEU 31 N -5.05 7.22 0.00 3.14 7.94 -1.11 -4.11 117.00 125.02 1jtx n LEU 31 Ca 0.05 -4.54 0.00 0.00 -1.11 0.00 0.00 56.01 50.41 1jtx n LEU 31 Cb 0.26 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.30 1jtx n LEU 31 CO -0.11 1.66 0.00 -0.24 -1.11 0.00 0.00 177.39 177.58 1jtx n SER 32 N -0.77 0.00 -3.00 1.96 2.88 0.15 -4.91 113.62 109.94 1jtx n SER 32 Ca 0.57 -0.04 -0.01 0.00 -1.33 0.00 0.00 58.87 58.07 1jtx n SER 32 Cb 0.58 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 1jtx n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1jtx n GLU 33 N 0.00 -1.83 -3.61 -1.46 4.71 0.16 -4.87 120.64 113.74 1jtx n GLU 33 Ca 0.00 1.62 -0.01 0.00 -0.01 0.00 0.00 57.16 58.76 1jtx n GLU 33 Cb 0.01 -1.69 -0.01 0.00 -1.01 0.00 0.00 31.44 28.73 1jtx n GLU 33 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1jtx s SER 34 N -0.26 -0.04 0.33 1.62 0.15 -1.26 -5.08 113.70 109.16 1jtx s SER 34 Ca -0.05 -0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.30 1jtx s SER 34 Cb 0.00 0.05 -0.09 0.00 -1.71 0.00 0.00 66.02 64.27 1jtx s SER 34 CO 0.16 -0.08 1.15 -0.55 1.20 0.00 0.00 173.24 175.12 1jtx s SER 35 N -2.37 6.96 0.00 5.45 0.15 -1.26 -4.85 113.70 117.77 1jtx s SER 35 Ca 0.12 2.35 0.03 0.00 0.70 0.00 0.00 55.95 59.15 1jtx s SER 35 Cb 0.02 -2.62 0.19 0.00 -1.71 0.00 0.00 66.02 61.90 1jtx s SER 35 CO -0.04 -0.37 0.71 2.29 1.20 0.00 0.00 173.24 177.03 1jtx n LYS 36 N 0.74 0.10 -0.12 5.44 2.85 -1.26 -2.05 118.16 123.86 1jtx n LYS 36 Ca 0.01 0.03 -0.20 0.00 -1.05 0.00 0.00 58.31 57.09 1jtx n LYS 36 Cb 0.45 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.21 1jtx n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jtx n GLY 37 N -0.82 -0.41 0.25 2.58 0.00 -1.26 -4.50 105.19 101.03 1jtx n GLY 37 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1jtx n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jtx n ASN 38 N -3.47 -0.29 0.00 1.61 4.13 -0.87 0.26 115.26 116.63 1jtx n ASN 38 Ca -0.46 1.17 0.00 0.00 1.68 0.00 0.00 54.58 56.97 1jtx n ASN 38 Cb 0.97 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1jtx n ASN 38 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jtx n LEU 39 N -5.08 0.00 -0.01 3.41 7.99 -1.26 -2.72 117.00 119.33 1jtx n LEU 39 Ca 0.10 0.18 -0.16 0.00 -0.01 0.00 0.00 56.01 56.12 1jtx n LEU 39 Cb 0.32 -0.18 -0.14 0.00 -0.11 0.00 0.00 43.42 43.32 1jtx n LEU 39 CO -0.08 -0.18 -0.70 0.00 -1.51 0.00 0.00 177.39 174.92 1jtx n TYR 40 N -1.12 1.13 0.05 -1.77 9.36 0.72 -3.58 117.16 121.96 1jtx n TYR 40 Ca 0.00 0.30 -0.02 0.00 3.32 0.00 0.00 57.90 61.50 1jtx n TYR 40 Cb 0.05 -1.17 -0.01 0.00 -0.63 0.00 0.00 39.34 37.58 1jtx n TYR 40 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1jtx h TYR 41 N 0.04 -0.15 -0.01 2.98 3.20 -1.67 -3.35 116.97 118.00 1jtx h TYR 41 Ca -0.37 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.52 1jtx h TYR 41 Cb 2.03 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 40.29 1jtx h TYR 41 CO 0.04 -0.09 -0.48 0.45 -1.64 0.00 0.00 178.16 176.44 1jtx h HIS 42 N -0.45 -1.39 -3.29 -3.82 3.86 -1.82 -3.39 115.15 104.86 1jtx h HIS 42 Ca -0.02 0.05 -0.63 0.00 -1.16 0.00 0.00 60.37 58.61 1jtx h HIS 42 Cb 0.12 0.61 -0.18 0.00 1.06 0.00 0.00 27.41 29.03 1jtx h HIS 42 CO 0.04 -0.54 -0.61 -0.06 0.86 0.00 0.00 177.93 177.62 1jtx s PHE 43 N -5.82 3.16 0.16 2.45 0.40 -1.23 -5.02 117.98 112.07 1jtx s PHE 43 Ca -0.16 -0.05 -0.13 0.00 -0.60 0.00 0.00 56.93 55.99 1jtx s PHE 43 Cb 0.08 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1jtx s PHE 43 CO 0.62 0.13 1.69 0.87 0.70 0.00 0.00 175.22 179.24 1jtx h LYS 44 N 6.45 0.81 0.00 0.44 6.56 -1.76 -3.28 116.57 125.79 1jtx h LYS 44 Ca -0.37 -0.17 -0.10 0.00 -1.06 0.00 0.00 60.65 58.96 1jtx h LYS 44 Cb 1.18 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.70 1jtx h LYS 44 CO 0.65 0.74 0.04 0.25 -2.06 0.00 0.00 179.45 179.07 1jtx n THR 45 N -4.49 0.00 0.26 -0.16 -2.24 -1.26 -4.81 114.28 101.58 1jtx n THR 45 Ca 0.02 -0.86 0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1jtx n THR 45 Cb 0.19 0.65 0.67 0.00 -2.10 0.00 0.00 70.33 69.74 1jtx n THR 45 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jtx h LYS 46 N 0.00 0.00 -0.24 -0.78 3.64 -1.92 0.26 116.57 117.53 1jtx h LYS 46 Ca -0.19 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 1jtx h LYS 46 Cb 0.75 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1jtx h LYS 46 CO 0.25 0.09 -0.26 0.93 -2.27 0.00 0.00 179.45 178.19 1jtx h GLU 47 N 0.00 0.46 0.35 1.90 5.08 -1.98 -1.28 114.58 119.11 1jtx h GLU 47 Ca -0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1jtx h GLU 47 Cb 0.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jtx h GLU 47 CO 0.01 0.68 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.63 1jtx h ASN 48 N 0.40 -0.40 -1.17 1.42 4.21 -1.02 0.98 115.58 120.01 1jtx h ASN 48 Ca 0.06 0.01 0.36 0.00 1.21 0.00 0.00 56.30 57.94 1jtx h ASN 48 Cb 0.67 0.10 -0.12 0.00 -1.12 0.00 0.00 38.32 37.85 1jtx h ASN 48 CO 0.05 -0.10 0.74 0.25 -1.29 0.00 0.00 177.43 177.07 1jtx h LEU 49 N -0.83 0.36 0.08 1.61 5.85 -0.71 0.52 115.31 122.18 1jtx h LEU 49 Ca -0.05 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jtx h LEU 49 Cb 0.36 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1jtx h LEU 49 CO 0.08 -0.09 -0.04 0.15 -0.34 0.00 0.00 178.44 178.20 1jtx h PHE 50 N 0.22 -0.10 -0.98 1.25 3.04 -1.23 -2.94 116.94 116.20 1jtx h PHE 50 Ca 0.73 -0.00 0.28 0.00 3.98 0.00 0.00 57.97 62.97 1jtx h PHE 50 Cb 2.07 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 40.57 1jtx h PHE 50 CO -0.01 -0.06 1.01 -0.07 -2.02 0.00 0.00 178.31 177.16 1jtx h LEU 51 N -0.29 0.00 0.47 0.59 -0.00 0.49 0.19 115.31 116.76 1jtx h LEU 51 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1jtx h LEU 51 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1jtx h LEU 51 CO 0.02 0.00 -0.23 -0.08 -0.00 0.00 0.00 178.44 178.15 1jtx h GLU 52 N 0.00 -0.61 -0.83 1.13 4.57 -0.07 -1.48 114.58 117.29 1jtx h GLU 52 Ca 0.47 0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.89 1jtx h GLU 52 Cb 2.47 0.14 -0.13 0.00 -0.16 0.00 0.00 28.75 31.07 1jtx h GLU 52 CO -0.00 -0.40 0.21 0.82 -1.18 0.00 0.00 179.01 178.45 1jtx h ILE 53 N -1.17 0.38 -0.05 2.32 2.04 -0.48 0.31 117.51 120.87 1jtx h ILE 53 Ca -0.06 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1jtx h ILE 53 Cb 0.49 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1jtx h ILE 53 CO 0.11 0.04 -0.04 -0.07 0.00 0.00 0.00 178.15 178.19 1jtx h LEU 54 N 0.23 -0.12 -0.57 1.44 3.38 -1.21 -1.93 115.31 116.53 1jtx h LEU 54 Ca 0.50 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.60 1jtx h LEU 54 Cb 0.95 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 1jtx h LEU 54 CO -0.61 -0.05 0.12 -1.13 0.09 0.00 0.00 178.44 176.86 1jtx h ASN 55 N -0.04 0.00 -0.00 -0.43 -1.24 0.66 -0.32 115.58 114.21 1jtx h ASN 55 Ca 0.03 0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.16 1jtx h ASN 55 Cb 0.09 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1jtx h ASN 55 CO -0.08 0.02 -0.06 0.40 -1.29 0.00 0.00 177.43 176.42 1jtx h ILE 56 N 0.25 0.85 -0.14 2.57 2.04 -0.89 -2.29 117.51 119.91 1jtx h ILE 56 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.17 1jtx h ILE 56 Cb 0.42 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1jtx h ILE 56 CO -0.38 0.00 0.02 -0.33 0.00 0.00 0.00 178.15 177.46 1jtx h GLU 57 N -0.10 0.08 0.00 2.37 4.39 -0.74 0.38 114.58 120.96 1jtx h GLU 57 Ca 0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1jtx h GLU 57 Cb 0.13 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1jtx h GLU 57 CO -0.06 0.05 -0.01 0.93 -1.16 0.00 0.00 179.01 178.76 1jtx h GLU 58 N 0.08 0.00 0.00 2.33 4.39 -0.99 -0.99 114.58 119.39 1jtx h GLU 58 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1jtx h GLU 58 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1jtx h GLU 58 CO -0.09 0.01 -0.11 0.77 -1.16 0.00 0.00 179.01 178.43 1jtx h SER 59 N 0.00 0.00 0.01 1.42 0.02 -0.39 -2.95 113.55 111.67 1jtx h SER 59 Ca -0.00 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1jtx h SER 59 Cb 0.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1jtx h SER 59 CO 0.00 0.79 -0.50 0.11 -1.14 0.00 0.00 176.83 176.09 1jtx h LYS 60 N -1.00 -0.61 -0.97 3.45 1.57 0.00 0.08 116.57 119.10 1jtx h LYS 60 Ca -0.02 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1jtx h LYS 60 Cb 0.53 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.89 1jtx h LYS 60 CO -0.01 -0.41 0.58 2.35 -0.57 0.00 0.00 179.45 181.39 1jtx h TRP 61 N -0.63 1.04 -0.48 -1.35 2.91 -1.37 0.73 115.95 116.80 1jtx h TRP 61 Ca 0.01 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 1jtx h TRP 61 Cb 0.67 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 1jtx h TRP 61 CO -0.50 0.32 0.10 0.37 -1.03 0.00 0.00 178.44 177.70 1jtx h GLN 62 N 0.84 0.73 -0.10 2.65 5.75 -1.19 -1.40 115.11 122.39 1jtx h GLN 62 Ca 0.52 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.76 1jtx h GLN 62 Cb 0.66 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1jtx h GLN 62 CO -0.32 0.68 -0.36 1.49 -2.65 0.00 0.00 178.83 177.66 1jtx h GLU 63 N 0.71 0.42 -0.25 1.69 4.81 0.59 -2.59 114.58 119.96 1jtx h GLU 63 Ca 0.16 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1jtx h GLU 63 Cb 0.29 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1jtx h GLU 63 CO 0.00 0.95 -0.07 0.37 -0.73 0.00 0.00 179.01 179.53 1jtx h GLN 64 N -0.02 -0.00 -0.90 1.92 4.15 -0.67 0.17 115.11 119.76 1jtx h GLN 64 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.54 1jtx h GLN 64 Cb 0.99 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.61 1jtx h GLN 64 CO 0.08 -0.00 0.58 2.35 -1.93 0.00 0.00 178.83 179.90 1jtx h TRP 65 N -0.00 0.86 -0.47 3.99 -0.00 -1.27 -0.25 115.95 118.80 1jtx h TRP 65 Ca 0.12 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.99 1jtx h TRP 65 Cb 0.19 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.06 1jtx h TRP 65 CO -0.25 0.33 0.12 0.87 -0.00 0.00 0.00 178.44 179.50 1jtx h LYS 66 N 0.74 0.75 -0.99 2.65 6.56 -0.61 0.99 116.57 126.66 1jtx h LYS 66 Ca 0.45 -0.18 -0.00 0.00 -1.06 0.00 0.00 60.65 59.85 1jtx h LYS 66 Cb 0.66 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1jtx h LYS 66 CO -0.21 0.74 0.01 1.63 -2.06 0.00 0.00 179.45 179.56 1jtx n LYS 67 N -4.49 1.09 0.00 3.15 5.02 -0.14 -3.77 118.16 119.02 1jtx n LYS 67 Ca 0.01 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1jtx n LYS 67 Cb 0.21 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1jtx n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jtx n GLU 68 N 0.14 3.40 0.18 1.97 1.02 -0.83 -4.84 120.64 121.68 1jtx n GLU 68 Ca 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1jtx n GLU 68 Cb 0.35 -0.35 0.62 0.00 -0.02 0.00 0.00 31.44 32.03 1jtx n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1jtx h GLN 69 N 0.00 0.00 -0.80 3.49 3.07 -0.92 -2.20 115.11 117.76 1jtx h GLN 69 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.80 1jtx h GLN 69 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 1jtx h GLN 69 CO 0.00 0.00 0.49 0.82 0.09 0.00 0.00 178.83 180.23 1jtx h ILE 70 N 0.00 1.04 0.00 1.86 5.03 -1.84 0.21 117.51 123.81 1jtx h ILE 70 Ca 0.00 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1jtx h ILE 70 Cb 0.22 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.07 1jtx h ILE 70 CO 0.00 0.16 0.00 0.29 -0.68 0.00 0.00 178.15 177.92 1jtx n LYS 71 N -4.66 0.05 -3.99 2.37 5.02 -0.83 -4.20 118.16 111.93 1jtx n LYS 71 Ca 0.11 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 1jtx n LYS 71 Cb 0.16 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 1jtx n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jtx s ALA 72 N -2.00 2.33 0.19 7.82 0.00 0.74 -5.01 121.76 125.83 1jtx s ALA 72 Ca 0.02 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 1jtx s ALA 72 Cb 0.01 -1.59 0.10 0.00 0.00 0.00 0.00 23.12 21.65 1jtx s ALA 72 CO 0.02 -1.30 1.56 0.87 0.00 0.00 0.00 175.76 176.91 1jtx h LYS 73 N 7.83 0.79 -6.20 0.00 6.56 -1.80 -3.44 116.57 120.31 1jtx h LYS 73 Ca -0.16 -0.38 -0.51 0.00 -1.06 0.00 0.00 60.65 58.54 1jtx h LYS 73 Cb 1.05 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.65 1jtx h LYS 73 CO 0.45 1.00 -0.54 0.95 -2.06 0.00 0.00 179.45 179.25 1jtx s THR 74 N -4.43 4.31 0.23 -0.16 -4.23 -1.26 -5.01 115.64 105.08 1jtx s THR 74 Ca -0.09 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 1jtx s THR 74 Cb 0.12 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 1jtx s THR 74 CO 0.85 -0.34 1.58 0.78 -0.54 0.00 0.00 174.62 176.94 1jtx h ASN 75 N 1.59 0.43 -0.72 3.99 4.21 -1.92 -0.14 115.58 123.03 1jtx h ASN 75 Ca -0.48 -0.22 0.15 0.00 1.21 0.00 0.00 56.30 56.96 1jtx h ASN 75 Cb 1.24 -0.12 -0.10 0.00 -1.12 0.00 0.00 38.32 38.21 1jtx h ASN 75 CO 0.61 0.87 0.18 -0.09 -1.29 0.00 0.00 177.43 177.71 1jtx h ARG 76 N 0.31 0.28 -0.44 0.81 2.43 -1.95 0.68 114.38 116.49 1jtx h ARG 76 Ca 0.01 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1jtx h ARG 76 Cb 1.01 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1jtx h ARG 76 CO 0.09 0.18 -0.12 0.93 -1.51 0.00 0.00 179.97 179.54 1jtx h GLU 77 N 0.28 0.86 -0.77 0.20 5.08 -1.77 -2.62 114.58 115.84 1jtx h GLU 77 Ca 0.40 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1jtx h GLU 77 Cb 0.66 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1jtx h GLU 77 CO -0.48 0.97 0.51 0.87 -1.00 0.00 0.00 179.01 179.87 1jtx h LYS 78 N 0.69 0.85 0.82 2.33 1.57 0.14 0.15 116.57 123.11 1jtx h LYS 78 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1jtx h LYS 78 Cb 0.66 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1jtx h LYS 78 CO 0.05 0.56 -0.39 0.35 -0.57 0.00 0.00 179.45 179.44 1jtx h PHE 79 N 0.87 -1.02 -0.78 -1.35 3.57 0.47 0.10 116.94 118.80 1jtx h PHE 79 Ca 0.32 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.94 1jtx h PHE 79 Cb 0.17 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 39.15 1jtx h PHE 79 CO -0.00 -0.64 0.34 1.88 -2.23 0.00 0.00 178.31 177.66 1jtx h TYR 80 N -1.18 0.58 -0.12 0.41 0.05 -1.13 -2.33 116.97 113.25 1jtx h TYR 80 Ca -0.11 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1jtx h TYR 80 Cb 0.84 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1jtx h TYR 80 CO 0.02 0.09 0.03 1.25 -1.05 0.00 0.00 178.16 178.51 1jtx h LEU 81 N 0.49 0.19 -0.07 3.88 5.85 -0.61 -1.84 115.31 123.20 1jtx h LEU 81 Ca 0.43 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1jtx h LEU 81 Cb 0.65 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1jtx h LEU 81 CO -0.40 0.37 -0.14 0.22 -0.34 0.00 0.00 178.44 178.15 1jtx h TYR 82 N 0.00 -0.36 -0.97 1.25 3.20 -0.39 0.01 116.97 119.71 1jtx h TYR 82 Ca 0.04 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1jtx h TYR 82 Cb 0.25 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1jtx h TYR 82 CO 0.01 -0.21 0.64 -0.91 -1.64 0.00 0.00 178.16 176.05 1jtx h ASN 83 N -0.20 1.09 0.43 -2.11 -0.26 -1.42 -1.09 115.58 112.03 1jtx h ASN 83 Ca 0.07 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1jtx h ASN 83 Cb 0.30 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1jtx h ASN 83 CO -0.19 0.78 -0.21 -0.33 -1.06 0.00 0.00 177.43 176.42 1jtx h GLU 84 N 1.28 -0.56 -0.51 0.81 5.08 -0.76 -2.83 114.58 117.10 1jtx h GLU 84 Ca 0.37 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.91 1jtx h GLU 84 Cb -0.09 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1jtx h GLU 84 CO -0.09 -0.30 0.36 -0.07 -1.00 0.00 0.00 179.01 177.91 1jtx h LEU 85 N -0.71 0.05 -1.87 1.33 -0.00 -0.70 0.55 115.31 113.95 1jtx h LEU 85 Ca -0.06 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.03 1jtx h LEU 85 Cb 0.51 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.13 1jtx h LEU 85 CO 0.10 0.03 0.54 0.28 -0.00 0.00 0.00 178.44 179.38 1jtx h SER 86 N 0.05 0.11 0.68 -0.43 0.02 -0.94 0.84 113.55 113.89 1jtx h SER 86 Ca 0.24 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.99 1jtx h SER 86 Cb 0.89 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1jtx h SER 86 CO -0.02 0.05 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.68 1jtx h LEU 87 N 0.11 0.23 0.03 5.07 3.38 -0.95 -3.38 115.31 119.80 1jtx h LEU 87 Ca 0.37 -0.21 -0.35 0.00 0.09 0.00 0.00 57.88 57.79 1jtx h LEU 87 Cb 1.31 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 1jtx h LEU 87 CO -0.05 1.07 -2.08 0.35 0.09 0.00 0.00 178.44 177.83 1jtx n THR 88 N -3.57 1.58 -0.82 0.22 -2.24 0.11 -5.01 114.28 104.55 1jtx n THR 88 Ca -0.04 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.69 1jtx n THR 88 Cb 0.88 -1.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1jtx n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jtx n THR 89 N -3.11 0.00 0.08 4.28 -1.04 -0.18 -4.91 114.28 109.40 1jtx n THR 89 Ca -0.29 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 61.64 1jtx n THR 89 Cb 1.07 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.60 1jtx n THR 89 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1jtx n GLU 90 N 2.05 0.64 -4.19 -2.82 0.00 -1.26 -4.91 120.64 110.14 1jtx n GLU 90 Ca -0.02 -1.03 -0.31 0.00 0.00 0.00 0.00 57.16 55.80 1jtx n GLU 90 Cb 0.58 -1.07 -0.08 0.00 0.00 0.00 0.00 31.44 30.87 1jtx n GLU 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jtx s TYR 91 N -0.53 3.07 0.00 -1.84 4.12 -1.26 -4.69 117.35 116.22 1jtx s TYR 91 Ca 0.05 0.05 0.00 0.00 0.02 0.00 0.00 57.07 57.19 1jtx s TYR 91 Cb 0.03 -1.62 0.00 0.00 -1.52 0.00 0.00 41.96 38.85 1jtx s TYR 91 CO 0.05 0.48 0.00 0.98 0.02 0.00 0.00 175.55 177.08 1jtx n TYR 92 N 0.97 0.00 -0.34 2.71 4.19 -1.26 -4.11 117.16 119.33 1jtx n TYR 92 Ca -0.12 0.00 0.22 0.00 3.31 0.00 0.00 57.90 61.31 1jtx n TYR 92 Cb 0.52 0.00 0.48 0.00 0.49 0.00 0.00 39.34 40.84 1jtx n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jtx h TYR 93 N 0.00 0.76 0.00 2.98 0.05 -1.92 -0.51 116.97 118.33 1jtx h TYR 93 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1jtx h TYR 93 Cb 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.52 1jtx h TYR 93 CO 0.00 0.03 0.09 -2.30 -1.05 0.00 0.00 178.16 174.93 1jtx n PRO 94 N -4.72 0.00 -2.76 4.88 -0.02 -1.26 -1.97 135.00 129.15 1jtx n PRO 94 Ca 0.27 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 62.03 1jtx n PRO 94 Cb 0.88 -1.59 0.04 0.00 -0.02 0.00 0.00 33.50 32.82 1jtx n PRO 94 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1jtx n LEU 95 N -1.30 1.42 0.12 2.45 -0.00 -0.20 -4.77 117.00 114.73 1jtx n LEU 95 Ca 0.00 -3.32 -0.03 0.00 -0.00 0.00 0.00 56.01 52.66 1jtx n LEU 95 Cb 0.09 0.45 0.13 0.00 -0.00 0.00 0.00 43.42 44.08 1jtx n LEU 95 CO 0.00 1.28 0.44 -0.61 -0.00 0.00 0.00 177.39 178.50 1jtx h GLN 96 N 2.74 0.03 -0.40 1.47 5.75 -1.51 -2.37 115.11 120.83 1jtx h GLN 96 Ca -0.13 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1jtx h GLN 96 Cb 1.23 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1jtx h GLN 96 CO 0.31 0.69 0.14 -0.91 -2.65 0.00 0.00 178.83 176.41 1jtx h ASN 97 N 0.02 0.57 -0.08 -0.69 2.35 -1.86 -0.40 115.58 115.49 1jtx h ASN 97 Ca -0.01 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 1jtx h ASN 97 Cb 1.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1jtx h ASN 97 CO 0.09 0.60 -0.17 0.00 -1.65 0.00 0.00 177.43 176.30 1jtx h ALA 98 N 0.99 1.22 -0.11 -0.83 0.00 -1.78 -1.00 119.26 117.74 1jtx h ALA 98 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jtx h ALA 98 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jtx h ALA 98 CO -0.01 0.51 0.03 0.82 0.00 0.00 0.00 179.25 180.60 1jtx h ILE 99 N 0.42 1.18 -0.88 0.00 2.04 -0.91 0.25 117.51 119.61 1jtx h ILE 99 Ca 0.07 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.48 1jtx h ILE 99 Cb 0.55 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.89 1jtx h ILE 99 CO 0.04 0.16 0.52 0.40 0.00 0.00 0.00 178.15 179.27 1jtx h ILE 100 N -0.01 0.91 0.88 -0.67 2.04 -0.65 0.57 117.51 120.59 1jtx h ILE 100 Ca 0.04 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1jtx h ILE 100 Cb 0.22 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1jtx h ILE 100 CO -0.00 0.16 -0.42 -0.08 0.00 0.00 0.00 178.15 177.80 1jtx h GLU 101 N 0.86 -1.13 -0.73 2.37 4.81 -0.84 -2.42 114.58 117.49 1jtx h GLU 101 Ca 0.43 0.08 0.16 0.00 -0.13 0.00 0.00 59.36 59.89 1jtx h GLU 101 Cb 0.40 0.26 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1jtx h GLU 101 CO -0.25 -0.76 0.19 0.35 -0.73 0.00 0.00 179.01 177.81 1jtx h PHE 102 N -1.23 0.30 -0.02 0.92 3.04 0.41 -0.29 116.94 120.07 1jtx h PHE 102 Ca -0.12 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.79 1jtx h PHE 102 Cb 0.90 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1jtx h PHE 102 CO 0.02 -0.06 -0.38 -0.92 -2.02 0.00 0.00 178.31 174.95 1jtx h TYR 103 N 0.29 0.04 -0.06 0.41 5.03 0.13 -1.79 116.97 121.02 1jtx h TYR 103 Ca 0.41 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.71 1jtx h TYR 103 Cb 0.69 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.96 1jtx h TYR 103 CO -0.25 0.41 0.00 0.25 -1.32 0.00 0.00 178.16 177.25 1jtx n THR 104 N -4.08 0.07 -0.33 1.81 -2.24 -0.18 -1.45 114.28 107.88 1jtx n THR 104 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1jtx n THR 104 Cb 0.42 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1jtx n THR 104 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jtx n GLU 105 N -0.32 2.05 0.00 -0.78 1.02 -0.71 -4.64 120.64 117.26 1jtx n GLU 105 Ca 0.17 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 1jtx n GLU 105 Cb 0.20 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1jtx n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jtx n TYR 106 N -0.36 0.00 0.30 -0.32 4.02 -0.96 -4.88 117.16 114.95 1jtx n TYR 106 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.06 1jtx n TYR 106 Cb 0.33 0.01 0.84 0.00 -0.02 0.00 0.00 39.34 40.50 1jtx n TYR 106 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 1jtx h TYR 107 N 0.00 0.00 0.00 -0.72 -0.00 -1.45 0.76 116.97 115.56 1jtx h TYR 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1jtx h TYR 107 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.02 1jtx h TYR 107 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.03 1jtx h LYS 108 N 0.00 0.00 -5.82 0.10 1.57 -1.90 -3.44 116.57 107.08 1jtx h LYS 108 Ca 0.03 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.22 1jtx h LYS 108 Cb 0.67 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 1jtx h LYS 108 CO -0.00 0.00 -0.17 0.95 -0.57 0.00 0.00 179.45 179.66 1jtx s THR 109 N -3.23 5.13 0.00 -0.16 -4.23 0.26 -4.97 115.64 108.43 1jtx s THR 109 Ca 0.07 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1jtx s THR 109 Cb 0.08 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1jtx s THR 109 CO 0.62 0.42 1.65 -3.20 -0.54 0.00 0.00 174.62 173.57 1jtx n ASN 110 N 3.03 4.52 -0.09 3.99 5.15 -1.26 -2.43 115.26 128.17 1jtx n ASN 110 Ca -0.10 -2.24 0.02 0.00 -0.60 0.00 0.00 54.58 51.66 1jtx n ASN 110 Cb 0.52 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1jtx n ASN 110 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1jtx n SER 111 N 1.22 0.90 0.01 1.20 2.88 -1.26 -4.60 113.62 113.97 1jtx n SER 111 Ca 0.00 -0.95 -0.10 0.00 -1.33 0.00 0.00 58.87 56.48 1jtx n SER 111 Cb 0.48 0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 64.20 1jtx n SER 111 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jtx h ILE 112 N 0.46 1.01 0.00 2.46 1.08 -1.76 -3.23 117.51 117.53 1jtx h ILE 112 Ca 0.00 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1jtx h ILE 112 Cb 0.12 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1jtx h ILE 112 CO 0.00 0.29 0.01 0.59 -0.69 0.00 0.00 178.15 178.35 1jtx n ASN 113 N -4.82 0.00 0.00 1.72 3.02 -1.26 0.16 115.26 114.08 1jtx n ASN 113 Ca -0.07 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1jtx n ASN 113 Cb 0.28 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1jtx n ASN 113 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1jtx n GLU 114 N -1.03 0.00 0.05 3.52 0.00 -1.22 -4.27 120.64 117.69 1jtx n GLU 114 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 57.16 57.10 1jtx n GLU 114 Cb 0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 31.44 30.87 1jtx n GLU 114 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1jtx h LYS 115 N 0.00 0.51 -0.42 5.31 1.57 -1.61 -0.68 116.57 121.25 1jtx h LYS 115 Ca 0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1jtx h LYS 115 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1jtx h LYS 115 CO 0.00 1.13 0.00 -0.12 -0.57 0.00 0.00 179.45 179.89 1jtx n MET 116 N -3.81 0.75 0.00 3.15 1.56 0.12 -0.57 117.12 118.33 1jtx n MET 116 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 1jtx n MET 116 Cb 0.80 -1.21 0.00 0.00 2.15 0.00 0.00 33.22 34.96 1jtx n MET 116 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1jtx n ASN 117 N -0.15 0.02 -0.02 6.12 5.15 -1.09 -4.52 115.26 120.77 1jtx n ASN 117 Ca 0.00 -0.20 -0.18 0.00 -0.60 0.00 0.00 54.58 53.60 1jtx n ASN 117 Cb 0.11 0.12 -0.14 0.00 -0.53 0.00 0.00 39.78 39.34 1jtx n ASN 117 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1jtx h LYS 118 N 0.00 0.15 0.00 1.20 3.11 0.75 -3.25 116.57 118.52 1jtx h LYS 118 Ca 0.00 -0.25 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1jtx h LYS 118 Cb 0.06 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1jtx h LYS 118 CO 0.00 1.12 0.00 -0.07 -2.81 0.00 0.00 179.45 177.69 1jtx h LEU 119 N -0.66 0.00 0.92 5.20 3.38 -1.58 -3.27 115.31 119.30 1jtx h LEU 119 Ca -0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1jtx h LEU 119 Cb 1.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.16 1jtx h LEU 119 CO 0.04 0.00 -0.44 -0.33 0.09 0.00 0.00 178.44 177.80 1jtx h GLU 120 N 0.00 -1.19 0.00 1.13 4.39 -1.79 -1.69 114.58 115.44 1jtx h GLU 120 Ca 0.00 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1jtx h GLU 120 Cb 0.51 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1jtx h GLU 120 CO 0.00 -0.79 0.00 -0.91 -1.16 0.00 0.00 179.01 176.15 1jtx h ASN 121 N -1.32 0.00 0.04 1.42 2.35 -1.64 -1.50 115.58 114.92 1jtx h ASN 121 Ca -0.13 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1jtx h ASN 121 Cb 0.95 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.32 1jtx h ASN 121 CO 0.21 0.00 -0.31 0.50 -1.65 0.00 0.00 177.43 176.17 1jtx h LYS 122 N 0.00 0.14 -0.88 0.81 3.64 -1.61 -2.81 116.57 115.86 1jtx h LYS 122 Ca 0.00 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1jtx h LYS 122 Cb 0.09 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1jtx h LYS 122 CO 0.00 1.04 0.53 -0.92 -2.27 0.00 0.00 179.45 177.83 1jtx h TYR 123 N -0.65 1.14 -0.08 1.91 3.20 -0.57 -2.26 116.97 119.66 1jtx h TYR 123 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1jtx h TYR 123 Cb 1.18 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1jtx h TYR 123 CO 0.22 0.75 0.00 0.44 -1.64 0.00 0.00 178.16 177.93 1jtx n ILE 124 N -4.37 0.09 0.17 1.81 -6.64 -0.64 -4.40 119.36 105.39 1jtx n ILE 124 Ca 0.10 -0.37 -0.14 0.00 -1.77 0.00 0.00 62.75 60.57 1jtx n ILE 124 Cb 0.06 0.74 -0.08 0.00 -1.44 0.00 0.00 39.64 38.92 1jtx n ILE 124 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 1jtx h ASP 125 N 3.05 -0.37 -0.96 7.28 3.58 -1.12 -2.46 116.42 125.42 1jtx h ASP 125 Ca 0.00 -0.14 0.31 0.00 0.42 0.00 0.00 57.03 57.62 1jtx h ASP 125 Cb 0.65 0.10 -0.16 0.00 1.72 0.00 0.00 39.33 41.64 1jtx h ASP 125 CO 0.00 -0.05 0.34 0.00 -2.88 0.00 0.00 179.24 176.66 1jtx h ALA 126 N -0.16 1.64 -0.09 -0.78 0.00 -1.77 1.15 119.26 119.26 1jtx h ALA 126 Ca -0.04 0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1jtx h ALA 126 Cb 0.49 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1jtx h ALA 126 CO 0.07 -0.64 -0.59 1.88 0.00 0.00 0.00 179.25 179.97 1jtx h TYR 127 N 0.14 0.36 0.73 0.00 0.05 -1.83 -1.17 116.97 115.25 1jtx h TYR 127 Ca 0.68 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 59.30 1jtx h TYR 127 Cb 1.56 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.23 1jtx h TYR 127 CO -0.19 0.80 -0.47 1.25 -1.05 0.00 0.00 178.16 178.49 1jtx h HIS 128 N 0.21 -1.27 0.04 4.88 2.76 0.18 0.27 115.15 122.22 1jtx h HIS 128 Ca -0.00 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1jtx h HIS 128 Cb 1.09 0.46 -0.05 0.00 1.55 0.00 0.00 27.41 30.46 1jtx h HIS 128 CO 0.02 -0.70 -0.32 0.28 -1.30 0.00 0.00 177.93 175.91 1jtx h VAL 129 N -1.14 0.30 -0.50 5.26 2.07 -1.05 0.74 116.25 121.92 1jtx h VAL 129 Ca -0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1jtx h VAL 129 Cb 0.92 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1jtx h VAL 129 CO 0.08 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.12 1jtx h ILE 130 N -0.50 0.66 -0.00 4.57 2.04 -1.09 0.13 117.51 123.31 1jtx h ILE 130 Ca 0.05 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1jtx h ILE 130 Cb 0.57 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1jtx h ILE 130 CO -0.24 0.03 -0.01 -0.26 0.00 0.00 0.00 178.15 177.67 1jtx h PHE 131 N 0.17 0.02 0.08 1.37 0.04 0.23 -1.55 116.94 117.31 1jtx h PHE 131 Ca 0.26 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.03 1jtx h PHE 131 Cb 0.37 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 1jtx h PHE 131 CO -0.27 0.63 -0.42 -0.22 -0.60 0.00 0.00 178.31 177.43 1jtx h LYS 132 N -0.60 -0.57 -0.69 1.51 1.63 0.63 -0.86 116.57 117.62 1jtx h LYS 132 Ca -0.00 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 59.99 1jtx h LYS 132 Cb 0.63 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 1jtx h LYS 132 CO 0.00 -0.38 0.47 1.49 -3.45 0.00 0.00 179.45 177.58 1jtx h GLU 133 N -0.59 0.31 0.00 1.90 4.57 -0.84 0.55 114.58 120.48 1jtx h GLU 133 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1jtx h GLU 133 Cb 0.60 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1jtx h GLU 133 CO -0.24 0.20 0.00 0.78 -1.18 0.00 0.00 179.01 178.58 1jtx h GLY 134 N 0.32 0.00 0.59 1.92 0.00 -0.57 -1.76 103.07 103.57 1jtx h GLY 134 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.54 1jtx h GLY 134 CO -0.09 0.00 -0.55 3.43 0.00 0.00 0.00 176.54 179.33 1jtx h ASN 135 N 0.00 0.39 0.29 0.19 2.35 0.15 -0.55 115.58 118.40 1jtx h ASN 135 Ca 0.00 -0.87 -0.03 0.00 -0.55 0.00 0.00 56.30 54.85 1jtx h ASN 135 Cb 0.64 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1jtx h ASN 135 CO 0.00 1.21 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.78 1jtx h LEU 136 N -0.39 0.00 -3.74 1.61 4.07 -1.29 -2.28 115.31 113.29 1jtx h LEU 136 Ca -0.08 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.53 1jtx h LEU 136 Cb 1.35 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.88 1jtx h LEU 136 CO 0.11 0.14 0.44 -3.20 -1.08 0.00 0.00 178.44 174.85 1jtx n ASN 137 N -3.88 4.20 -2.08 -0.43 5.15 -0.68 -4.94 115.26 112.60 1jtx n ASN 137 Ca -0.02 -3.33 -0.03 0.00 -0.60 0.00 0.00 54.58 50.60 1jtx n ASN 137 Cb 0.24 -0.78 -0.00 0.00 -0.53 0.00 0.00 39.78 38.70 1jtx n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jtx n GLY 138 N -0.59 -0.28 0.15 8.20 0.00 -0.86 -4.76 105.19 107.05 1jtx n GLY 138 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.00 0.00 1.61 5.08 -1.35 -3.48 114.58 116.45 1jtx h GLU 139 Ca -0.06 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.51 1jtx h GLU 139 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1jtx h GLU 139 CO 0.08 0.00 0.56 -2.67 -1.00 0.00 0.00 179.01 175.98 1jtx n TRP 140 N -2.51 -0.29 -3.58 4.33 2.14 -1.24 -5.04 117.44 111.24 1jtx n TRP 140 Ca 0.04 -0.44 -0.29 0.00 2.07 0.00 0.00 57.50 58.88 1jtx n TRP 140 Cb 0.42 0.20 -0.13 0.00 -0.81 0.00 0.00 31.31 30.98 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 -2.76 3.41 -0.40 -0.67 0.15 -1.26 -4.57 113.70 107.61 1jtx s SER 141 Ca 0.19 -2.03 -0.14 0.00 0.70 0.00 0.00 55.95 54.67 1jtx s SER 141 Cb -0.00 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.71 1jtx s SER 141 CO -0.00 -0.34 0.28 -0.63 1.20 0.00 0.00 173.24 173.75 1jtx s ILE 142 N 1.19 5.16 0.05 6.45 -1.09 -1.26 -4.95 121.20 126.74 1jtx s ILE 142 Ca 0.15 -0.65 -0.19 0.00 -2.23 0.00 0.00 60.65 57.72 1jtx s ILE 142 Cb -0.21 -3.86 -0.14 0.00 -1.58 0.00 0.00 42.46 36.67 1jtx s ILE 142 CO -0.11 -0.27 1.32 -0.55 -1.23 0.00 0.00 174.94 174.10 1jtx h ASN 143 N 8.59 0.49 -2.08 3.58 -0.00 -1.99 -3.35 115.58 120.83 1jtx h ASN 143 Ca -0.27 -0.53 -0.75 0.00 -0.00 0.00 0.00 56.30 54.75 1jtx h ASN 143 Cb 1.12 -0.14 -0.30 0.00 -0.00 0.00 0.00 38.32 39.00 1jtx h ASN 143 CO 0.71 0.92 0.72 -0.90 -0.00 0.00 0.00 177.43 178.88 1jtx n ASP 144 N -4.43 6.90 -0.33 6.14 3.85 -1.26 -4.89 116.55 122.53 1jtx n ASP 144 Ca -0.06 -3.76 0.17 0.00 -0.71 0.00 0.00 54.79 50.43 1jtx n ASP 144 Cb 0.44 -1.00 0.33 0.00 -1.35 0.00 0.00 41.12 39.54 1jtx n ASP 144 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1jtx h VAL 145 N 2.23 0.07 -0.62 2.12 2.07 -2.00 -0.08 116.25 120.04 1jtx h VAL 145 Ca 0.49 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.95 1jtx h VAL 145 Cb 0.27 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1jtx h VAL 145 CO 1.22 0.01 0.21 0.78 0.02 0.00 0.00 177.57 179.81 1jtx h ASN 146 N 0.04 0.85 0.42 0.57 2.35 -1.95 0.09 115.58 117.95 1jtx h ASN 146 Ca 0.62 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 56.22 1jtx h ASN 146 Cb 1.35 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1jtx h ASN 146 CO -0.86 0.79 -0.20 0.00 -1.65 0.00 0.00 177.43 175.51 1jtx h ALA 147 N 1.33 -1.09 -1.07 -0.83 0.00 -1.44 -2.22 119.26 113.95 1jtx h ALA 147 Ca 0.21 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.30 1jtx h ALA 147 Cb 0.23 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 1jtx h ALA 147 CO -0.01 -1.04 0.65 0.28 0.00 0.00 0.00 179.25 179.13 1jtx h VAL 148 N -0.60 0.40 -0.26 0.00 2.07 -1.38 0.36 116.25 116.83 1jtx h VAL 148 Ca -0.06 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1jtx h VAL 148 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1jtx h VAL 148 CO 0.10 0.07 -0.02 0.28 0.02 0.00 0.00 177.57 178.01 1jtx h SER 149 N 0.37 0.48 -0.31 0.57 0.02 -0.90 -1.39 113.55 112.39 1jtx h SER 149 Ca 0.68 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1jtx h SER 149 Cb 1.66 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.05 1jtx h SER 149 CO -0.44 0.69 0.18 0.11 -1.14 0.00 0.00 176.83 176.24 1jtx h LYS 150 N 0.25 0.36 0.05 3.45 1.57 0.25 0.34 116.57 122.85 1jtx h LYS 150 Ca 0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jtx h LYS 150 Cb 0.46 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1jtx h LYS 150 CO 0.02 0.24 -0.07 0.82 -0.57 0.00 0.00 179.45 179.88 1jtx h ILE 151 N 0.38 0.00 -0.96 1.86 1.08 -0.90 -1.67 117.51 117.29 1jtx h ILE 151 Ca 0.12 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.69 1jtx h ILE 151 Cb -0.01 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.62 1jtx h ILE 151 CO -0.05 0.00 -0.53 0.00 -0.69 0.00 0.00 178.15 176.88 1jtx n ALA 152 N -2.40 -0.52 -0.13 1.87 0.00 -0.53 -0.46 120.51 118.34 1jtx n ALA 152 Ca -0.02 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.21 1jtx n ALA 152 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1jtx n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jtx h ALA 153 N 0.65 -0.02 -0.15 0.00 0.00 -0.87 -0.47 119.26 118.41 1jtx h ALA 153 Ca 0.19 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 1jtx h ALA 153 Cb 0.43 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jtx h ALA 153 CO -0.91 -0.64 -0.60 -0.91 0.00 0.00 0.00 179.25 176.19 1jtx h ASN 154 N -0.18 0.78 -0.33 0.00 -0.26 -0.16 -0.78 115.58 114.65 1jtx h ASN 154 Ca 0.20 -0.62 0.06 0.00 -0.56 0.00 0.00 56.30 55.38 1jtx h ASN 154 Cb 0.50 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.47 1jtx h ASN 154 CO -0.54 1.27 0.01 0.00 -1.06 0.00 0.00 177.43 177.11 1jtx h ALA 155 N 0.53 0.31 -0.01 -0.83 0.00 -0.62 -0.36 119.26 118.27 1jtx h ALA 155 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jtx h ALA 155 Cb 1.23 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1jtx h ALA 155 CO 0.13 -0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.27 1jtx h VAL 156 N 0.10 1.09 -0.64 0.00 2.07 -1.00 0.67 116.25 118.54 1jtx h VAL 156 Ca 0.16 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.60 1jtx h VAL 156 Cb 0.22 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1jtx h VAL 156 CO -0.26 0.07 0.52 -1.13 0.02 0.00 0.00 177.57 176.79 1jtx h ASN 157 N -0.09 0.00 -0.04 0.57 -0.00 -0.75 0.25 115.58 115.52 1jtx h ASN 157 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.27 1jtx h ASN 157 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.43 1jtx h ASN 157 CO -0.00 0.00 -0.12 1.23 -0.00 0.00 0.00 177.43 178.54 1jtx h GLY 158 N 0.00 0.17 1.35 1.57 0.00 0.81 -0.43 103.07 106.53 1jtx h GLY 158 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1jtx h GLY 158 CO -0.00 0.19 0.37 -2.22 0.00 0.00 0.00 176.54 174.88 1jtx h ILE 159 N -0.39 1.18 -0.26 2.60 2.04 0.12 -1.07 117.51 121.73 1jtx h ILE 159 Ca -0.00 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1jtx h ILE 159 Cb 0.73 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1jtx h ILE 159 CO 0.03 0.20 -0.10 0.58 0.00 0.00 0.00 178.15 178.85 1jtx h VAL 160 N 0.88 1.29 0.01 1.67 2.07 -0.62 -3.30 116.25 118.25 1jtx h VAL 160 Ca 0.23 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1jtx h VAL 160 Cb -0.02 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1jtx h VAL 160 CO -0.04 0.36 -0.00 0.74 0.02 0.00 0.00 177.57 178.65 1jtx h THR 161 N 0.28 1.55 -0.00 2.57 2.02 -0.53 -3.34 112.91 115.45 1jtx h THR 161 Ca 0.06 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1jtx h THR 161 Cb 0.59 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1jtx h THR 161 CO 0.03 0.45 0.00 0.49 0.37 0.00 0.00 175.52 176.86 1jtx n PHE 162 N -4.73 0.01 -0.05 3.16 3.72 -0.45 -2.70 117.46 116.41 1jtx n PHE 162 Ca -0.09 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1jtx n PHE 162 Cb 0.37 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1jtx n PHE 162 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jtx n THR 163 N -0.45 0.86 -0.39 4.37 -2.24 -1.24 -4.88 114.28 110.30 1jtx n THR 163 Ca 0.00 -0.90 -0.07 0.00 -2.27 0.00 0.00 64.05 60.81 1jtx n THR 163 Cb 0.02 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 1jtx n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jtx n HIS 164 N -0.43 0.23 0.00 4.78 -0.00 -1.10 -2.47 115.22 116.23 1jtx n HIS 164 Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 57.72 56.94 1jtx n HIS 164 Cb 0.24 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.28 1jtx n HIS 164 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1jtx n GLU 165 N 3.25 0.00 -1.64 1.57 -0.00 -1.26 -5.13 120.64 117.43 1jtx n GLU 165 Ca 0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 57.06 1jtx n GLU 165 Cb 0.27 -0.13 0.11 0.00 -0.00 0.00 0.00 31.44 31.69 1jtx n GLU 165 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1jtx s GLN 166 N -1.00 1.55 0.50 3.44 -2.07 -1.03 -4.98 119.66 116.07 1jtx s GLN 166 Ca 0.00 0.30 -0.23 0.00 -1.82 0.00 0.00 55.36 53.61 1jtx s GLN 166 Cb 0.00 -1.89 -0.06 0.00 -1.09 0.00 0.00 33.01 29.97 1jtx s GLN 166 CO 0.00 -1.92 1.33 0.54 -1.32 0.00 0.00 175.29 173.92 1jtx s ASN 167 N -4.16 5.62 0.62 12.60 4.22 -1.26 -4.85 114.94 127.72 1jtx s ASN 167 Ca 0.63 2.69 0.31 0.00 -2.14 0.00 0.00 52.86 54.35 1jtx s ASN 167 Cb -0.14 -2.63 1.76 0.00 1.28 0.00 0.00 41.25 41.53 1jtx s ASN 167 CO 0.52 -1.33 2.10 -0.29 -2.04 0.00 0.00 177.10 176.06 1jtx h ILE 168 N 1.74 0.30 0.00 0.54 6.09 -1.96 -1.52 117.51 122.69 1jtx h ILE 168 Ca -0.50 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 62.76 1jtx h ILE 168 Cb 1.28 0.82 -0.03 0.00 0.47 0.00 0.00 36.82 39.35 1jtx h ILE 168 CO 0.59 0.00 -1.13 0.78 -3.07 0.00 0.00 178.15 175.32 1jtx h ASN 169 N 0.00 0.00 0.03 2.19 -0.26 -1.99 -2.36 115.58 113.19 1jtx h ASN 169 Ca 0.06 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1jtx h ASN 169 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1jtx h ASN 169 CO -0.00 0.97 -0.02 -0.08 -1.06 0.00 0.00 177.43 177.24 1jtx h GLU 170 N 0.00 -0.04 -0.49 0.81 4.81 -1.65 -1.24 114.58 116.77 1jtx h GLU 170 Ca -0.07 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1jtx h GLU 170 Cb 1.80 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.12 1jtx h GLU 170 CO 0.11 0.23 0.08 0.00 -0.73 0.00 0.00 179.01 178.70 1jtx h ARG 171 N -0.32 0.20 -0.51 1.92 2.47 -1.48 -0.69 114.38 115.98 1jtx h ARG 171 Ca -0.00 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1jtx h ARG 171 Cb 0.29 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1jtx h ARG 171 CO 0.01 0.13 0.11 0.82 0.56 0.00 0.00 179.97 181.60 1jtx h ILE 172 N 0.21 1.25 0.07 2.04 2.04 -1.36 0.17 117.51 121.92 1jtx h ILE 172 Ca 0.24 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1jtx h ILE 172 Cb 0.33 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1jtx h ILE 172 CO -0.34 0.32 -0.03 0.11 0.00 0.00 0.00 178.15 178.21 1jtx h LYS 173 N 0.72 -0.09 -0.05 2.37 1.79 -0.39 0.12 116.57 121.04 1jtx h LYS 173 Ca 0.16 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 1jtx h LYS 173 Cb 0.36 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 1jtx h LYS 173 CO 0.01 0.03 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.04 1jtx h LEU 174 N -0.18 -0.88 -1.09 2.94 3.38 -1.07 0.18 115.31 118.59 1jtx h LEU 174 Ca -0.01 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.26 1jtx h LEU 174 Cb 0.15 0.37 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1jtx h LEU 174 CO 0.02 -0.35 0.61 -0.03 0.09 0.00 0.00 178.44 178.78 1jtx h MET 175 N -0.41 0.73 -0.22 1.13 4.05 -0.39 0.33 114.93 120.15 1jtx h MET 175 Ca 0.08 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.29 1jtx h MET 175 Cb 0.52 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1jtx h MET 175 CO -0.28 0.48 -0.53 -0.91 0.23 0.00 0.00 176.91 175.90 1jtx h ASN 176 N 0.75 0.71 -0.13 1.39 -0.26 0.64 -0.85 115.58 117.82 1jtx h ASN 176 Ca 0.55 -0.37 -0.12 0.00 -0.56 0.00 0.00 56.30 55.80 1jtx h ASN 176 Cb 0.87 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1jtx h ASN 176 CO -0.33 1.10 -0.30 0.50 -1.06 0.00 0.00 177.43 177.34 1jtx h LYS 177 N 0.50 0.62 0.81 0.81 1.63 0.14 -0.74 116.57 120.34 1jtx h LYS 177 Ca 0.02 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.51 1jtx h LYS 177 Cb 1.08 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1jtx h LYS 177 CO 0.10 0.85 -0.48 0.35 -3.45 0.00 0.00 179.45 176.82 1jtx h PHE 178 N 0.53 -1.28 -0.93 1.91 3.57 -0.19 -1.32 116.94 119.24 1jtx h PHE 178 Ca 0.06 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.72 1jtx h PHE 178 Cb 0.78 0.45 -0.10 0.00 2.79 0.00 0.00 35.95 39.87 1jtx h PHE 178 CO 0.03 -0.73 0.51 0.77 -2.23 0.00 0.00 178.31 176.67 1jtx h SER 179 N -1.21 0.63 0.36 0.41 0.02 -1.01 -0.14 113.55 112.61 1jtx h SER 179 Ca -0.11 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1jtx h SER 179 Cb 0.96 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1jtx h SER 179 CO 0.12 0.22 -0.32 -0.61 -1.14 0.00 0.00 176.83 175.10 1jtx h GLN 180 N 0.67 -0.65 -0.69 3.45 -0.00 -0.81 -2.59 115.11 114.48 1jtx h GLN 180 Ca 0.53 0.04 0.12 0.00 -0.00 0.00 0.00 58.65 59.34 1jtx h GLN 180 Cb 0.81 0.15 -0.08 0.00 0.00 0.00 0.00 27.48 28.35 1jtx h GLN 180 CO -0.39 -0.43 0.27 0.82 0.00 0.00 0.00 178.83 179.09 1jtx h ILE 181 N -0.68 0.71 0.59 2.39 2.04 -0.23 -1.75 117.51 120.59 1jtx h ILE 181 Ca -0.05 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1jtx h ILE 181 Cb 0.58 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1jtx h ILE 181 CO -0.02 0.08 -0.40 0.15 0.00 0.00 0.00 178.15 177.96 1jtx h PHE 182 N 0.44 -1.07 -0.98 1.37 3.57 -0.97 -0.94 116.94 118.35 1jtx h PHE 182 Ca 0.37 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.03 1jtx h PHE 182 Cb 0.51 0.39 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 1jtx h PHE 182 CO -0.17 -0.58 0.61 -0.07 -2.23 0.00 0.00 178.31 175.87 1jtx h LEU 183 N -0.94 0.75 -2.01 0.59 3.38 -1.34 0.60 115.31 116.34 1jtx h LEU 183 Ca -0.08 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jtx h LEU 183 Cb 0.76 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1jtx h LEU 183 CO 0.06 0.31 -0.02 -1.13 0.09 0.00 0.00 178.44 177.75 1jtx h ASN 184 N 0.76 0.00 1.38 -0.43 -1.24 -0.90 -2.16 115.58 112.98 1jtx h ASN 184 Ca 0.53 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.46 1jtx h ASN 184 Cb 0.83 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 1jtx h ASN 184 CO -0.31 0.02 -0.64 1.23 -1.29 0.00 0.00 177.43 176.44 1jtx h GLY 185 N 1.23 0.00 2.00 1.57 0.00 0.16 -3.31 103.07 104.73 1jtx h GLY 185 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1jtx h GLY 185 CO 0.00 0.00 -0.12 1.41 0.00 0.00 0.00 176.54 177.83 1jtx h LEU 186 N 0.00 0.00 0.00 3.11 3.38 -1.01 -3.51 115.31 117.28 1jtx h LEU 186 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jtx h LEU 186 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1jtx h LEU 186 CO 0.04 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.15