#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx2 h PRO 36 N 0.00 0.00 -7.09 0.00 0.13 -2.04 -3.45 132.00 119.55 2jx2 h PRO 36 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2jx2 h PRO 36 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 2jx2 h PRO 36 CO 0.00 0.36 0.53 1.03 -0.23 0.00 0.00 178.00 179.69 2jx2 s ARG 37 N -3.83 2.82 0.00 0.86 0.52 -1.26 -5.01 118.95 113.05 2jx2 s ARG 37 Ca -0.01 2.05 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 2jx2 s ARG 37 Cb 0.12 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2jx2 s ARG 37 CO 0.69 -1.39 0.00 1.63 0.02 0.00 0.00 175.30 176.25 2jx2 n LYS 38 N -1.58 0.33 -3.37 3.54 5.02 -1.26 -4.96 118.16 115.88 2jx2 n LYS 38 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2jx2 n LYS 38 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2jx2 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jx2 n GLY 39 N 4.72 -1.71 3.22 0.72 0.00 0.71 -4.60 105.19 108.25 2jx2 n GLY 39 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.95 2jx2 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jx2 s ASN 40 N -0.52 -0.58 0.49 1.61 2.47 0.62 -1.98 114.94 117.05 2jx2 s ASN 40 Ca 0.00 0.48 -0.17 0.00 0.42 0.00 0.00 52.86 53.60 2jx2 s ASN 40 Cb 0.00 1.53 -0.08 0.00 -1.45 0.00 0.00 41.25 41.25 2jx2 s ASN 40 CO 0.00 -0.11 0.96 -0.89 -3.72 0.00 0.00 177.10 173.34 2jx2 s THR 41 N 2.76 4.53 0.11 -5.21 2.01 -1.25 0.21 115.64 118.80 2jx2 s THR 41 Ca 0.01 1.22 0.05 0.00 0.31 0.00 0.00 61.69 63.27 2jx2 s THR 41 Cb -0.09 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2jx2 s THR 41 CO -0.14 -0.62 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.29 2jx2 s LEU 42 N -3.91 2.42 -0.32 4.42 1.02 0.69 -3.23 118.68 119.77 2jx2 s LEU 42 Ca 0.59 -0.83 -0.03 0.00 0.02 0.00 0.00 54.13 53.88 2jx2 s LEU 42 Cb -0.10 -0.43 0.05 0.00 0.02 0.00 0.00 46.19 45.73 2jx2 s LEU 42 CO 0.28 -0.21 0.04 -0.47 0.02 0.00 0.00 176.35 176.01 2jx2 s TYR 43 N -2.36 3.30 0.01 0.29 6.14 -0.46 -2.16 117.35 122.11 2jx2 s TYR 43 Ca 0.08 -1.85 0.01 0.00 0.64 0.00 0.00 57.07 55.94 2jx2 s TYR 43 Cb -0.03 -2.26 -0.04 0.00 0.42 0.00 0.00 41.96 40.05 2jx2 s TYR 43 CO 0.02 -0.81 0.06 0.08 0.64 0.00 0.00 175.55 175.54 2jx2 s VAL 44 N 1.27 4.58 -0.00 3.14 1.01 0.14 -0.29 120.40 130.23 2jx2 s VAL 44 Ca -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2jx2 s VAL 44 Cb -0.20 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2jx2 s VAL 44 CO -0.01 0.32 -0.06 -0.47 0.00 0.00 0.00 175.10 174.88 2jx2 s TYR 45 N -1.20 0.52 -1.30 5.22 5.04 -0.67 -0.73 117.35 124.23 2jx2 s TYR 45 Ca 0.23 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 2jx2 s TYR 45 Cb -0.12 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 41.86 2jx2 s TYR 45 CO 0.14 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.75 2jx2 n GLY 46 N 2.87 -0.92 3.58 8.97 0.00 -1.08 -1.92 105.19 116.68 2jx2 n GLY 46 Ca -0.13 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2jx2 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jx2 s GLU 47 N -0.52 2.06 -1.61 1.61 2.02 -1.26 -4.64 118.70 116.36 2jx2 s GLU 47 Ca 0.00 -1.42 -0.10 0.00 0.02 0.00 0.00 54.97 53.47 2jx2 s GLU 47 Cb 0.00 -2.08 0.09 0.00 0.10 0.00 0.00 34.13 32.24 2jx2 s GLU 47 CO 0.00 0.39 0.48 -3.47 0.02 0.00 0.00 175.26 172.68 2jx2 n ASP 48 N -0.42 -1.29 -4.73 -0.19 2.03 -1.26 -4.87 116.55 105.83 2jx2 n ASP 48 Ca -0.08 -1.10 -0.41 0.00 0.52 0.00 0.00 54.79 53.72 2jx2 n ASP 48 Cb 0.58 -2.43 -0.04 0.00 -0.72 0.00 0.00 41.12 38.51 2jx2 n ASP 48 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2jx2 s MET 49 N -6.97 4.60 0.24 -0.67 -1.94 -1.26 -5.05 119.30 108.25 2jx2 s MET 49 Ca 0.38 1.30 0.08 0.00 -1.71 0.00 0.00 55.69 55.73 2jx2 s MET 49 Cb -0.21 -3.39 -0.05 0.00 2.01 0.00 0.00 34.83 33.18 2jx2 s MET 49 CO 0.95 0.17 -0.11 0.95 -0.01 0.00 0.00 175.02 176.97 2jx2 s THR 50 N 0.22 1.74 -0.03 2.05 -4.23 -1.26 -5.07 115.64 109.07 2jx2 s THR 50 Ca 0.45 -2.19 -0.23 0.00 -1.18 0.00 0.00 61.69 58.54 2jx2 s THR 50 Cb -0.22 -2.24 -0.17 0.00 1.34 0.00 0.00 72.50 71.21 2jx2 s THR 50 CO 0.27 -0.45 1.07 1.55 -0.54 0.00 0.00 174.62 176.51 2jx2 h PRO 51 N 2.42 -0.20 -0.37 3.99 0.13 -1.98 -2.13 132.00 133.85 2jx2 h PRO 51 Ca -0.39 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.81 2jx2 h PRO 51 Cb 1.23 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2jx2 h PRO 51 CO 0.64 0.22 0.09 1.15 -0.23 0.00 0.00 178.00 179.87 2jx2 h THR 52 N -0.74 0.84 0.21 1.56 2.02 -1.99 0.15 112.91 114.95 2jx2 h THR 52 Ca -0.02 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2jx2 h THR 52 Cb 0.52 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2jx2 h THR 52 CO 0.04 0.04 -0.24 0.25 0.37 0.00 0.00 175.52 175.98 2jx2 h LEU 53 N 0.22 -0.64 -0.25 2.58 5.85 -1.99 -2.43 115.31 118.65 2jx2 h LEU 53 Ca 0.18 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.02 2jx2 h LEU 53 Cb 0.19 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2jx2 h LEU 53 CO -0.21 -0.34 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.25 2jx2 h LEU 54 N -0.49 -0.73 -1.00 2.25 3.38 -0.90 0.14 115.31 117.96 2jx2 h LEU 54 Ca 0.00 0.14 0.33 0.00 0.09 0.00 0.00 57.88 58.44 2jx2 h LEU 54 Cb 0.47 0.35 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 2jx2 h LEU 54 CO -0.07 -0.26 0.54 0.03 0.09 0.00 0.00 178.44 178.77 2jx2 h ARG 55 N -0.23 0.26 -0.12 1.13 3.08 -0.58 1.69 114.38 119.63 2jx2 h ARG 55 Ca 0.14 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2jx2 h ARG 55 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2jx2 h ARG 55 CO -0.38 0.17 -0.50 0.78 -1.07 0.00 0.00 179.97 178.97 2jx2 h GLY 56 N 0.27 0.34 2.00 0.04 0.00 -0.31 2.07 103.07 107.47 2jx2 h GLY 56 Ca 0.74 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2jx2 h GLY 56 CO -0.63 0.33 0.00 0.00 0.00 0.00 0.00 176.54 176.23 2jx2 h ALA 57 N 1.23 1.00 0.00 3.60 0.00 0.32 -3.25 119.26 122.16 2jx2 h ALA 57 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jx2 h ALA 57 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jx2 h ALA 57 CO 0.08 0.00 -0.01 1.19 0.00 0.00 0.00 179.25 180.51 2jx2 n PHE 58 N -2.51 0.00 -0.01 0.00 3.01 0.15 -4.68 117.46 113.43 2jx2 n PHE 58 Ca 0.05 -0.41 -0.09 0.00 1.01 0.00 0.00 57.45 58.01 2jx2 n PHE 58 Cb 0.46 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.81 2jx2 n PHE 58 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2jx2 h SER 59 N 0.00 -0.08 0.09 4.37 0.02 0.33 -3.27 113.55 115.02 2jx2 h SER 59 Ca 0.00 -0.47 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 2jx2 h SER 59 Cb 0.64 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2jx2 h SER 59 CO 0.00 0.61 -0.50 1.55 -1.14 0.00 0.00 176.83 177.34 2jx2 h PRO 60 N -0.94 0.46 -0.43 3.45 0.13 -1.80 -3.07 132.00 129.80 2jx2 h PRO 60 Ca -0.01 -0.27 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2jx2 h PRO 60 Cb 0.54 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2jx2 h PRO 60 CO 0.02 0.86 0.29 0.74 -0.23 0.00 0.00 178.00 179.67 2jx2 h PHE 61 N 0.37 0.50 0.00 1.56 0.04 -1.84 -3.47 116.94 114.11 2jx2 h PHE 61 Ca 0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2jx2 h PHE 61 Cb 1.01 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2jx2 h PHE 61 CO 0.04 0.31 0.00 0.41 -0.60 0.00 0.00 178.31 178.46 2jx2 n GLY 62 N -1.48 -0.72 3.82 -1.45 0.00 -1.16 -4.69 105.19 99.51 2jx2 n GLY 62 Ca 0.04 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 2jx2 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jx2 s ASN 63 N 0.00 7.01 -0.13 1.61 2.47 -1.26 -4.30 114.94 120.34 2jx2 s ASN 63 Ca 0.00 1.33 -0.04 0.00 0.42 0.00 0.00 52.86 54.57 2jx2 s ASN 63 Cb 0.00 -2.39 -0.03 0.00 -1.45 0.00 0.00 41.25 37.38 2jx2 s ASN 63 CO 0.00 0.07 0.01 -0.63 -3.72 0.00 0.00 177.10 172.83 2jx2 s ILE 64 N -1.47 4.39 -0.12 -5.21 1.01 -1.26 -3.14 121.20 115.41 2jx2 s ILE 64 Ca 0.41 -0.20 0.18 0.00 0.00 0.00 0.00 60.65 61.04 2jx2 s ILE 64 Cb -0.17 -2.91 -0.26 0.00 0.01 0.00 0.00 42.46 39.13 2jx2 s ILE 64 CO 0.21 0.53 0.22 2.30 0.00 0.00 0.00 174.94 178.20 2jx2 n ILE 65 N 2.92 0.74 -3.62 2.92 -5.35 -1.12 -4.90 119.36 110.94 2jx2 n ILE 65 Ca -0.18 -0.65 -0.20 0.00 -0.27 0.00 0.00 62.75 61.46 2jx2 n ILE 65 Cb 0.53 -0.27 -0.16 0.00 -1.74 0.00 0.00 39.64 38.00 2jx2 n ILE 65 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jx2 s ASP 66 N -4.87 1.30 -0.30 7.28 -1.08 -1.26 -5.05 116.67 112.69 2jx2 s ASP 66 Ca -0.08 -0.03 -0.09 0.00 -0.52 0.00 0.00 52.55 51.83 2jx2 s ASP 66 Cb 0.09 0.10 -0.01 0.00 -1.46 0.00 0.00 42.92 41.64 2jx2 s ASP 66 CO 0.79 -0.29 0.13 -0.22 0.52 0.00 0.00 175.17 176.10 2jx2 s LEU 67 N 2.24 3.98 0.07 -1.34 2.96 -1.26 -2.56 118.68 122.76 2jx2 s LEU 67 Ca 0.04 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.50 2jx2 s LEU 67 Cb -0.14 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2jx2 s LEU 67 CO -0.07 -0.18 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.12 2jx2 s SER 68 N 1.59 2.62 0.07 3.68 0.01 -0.39 -5.01 113.70 116.27 2jx2 s SER 68 Ca 0.04 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.76 2jx2 s SER 68 Cb -0.17 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 2jx2 s SER 68 CO 0.05 0.14 -0.13 -0.04 0.41 0.00 0.00 173.24 173.67 2jx2 s MET 69 N -1.46 0.80 -0.29 12.44 -1.94 -1.26 0.15 119.30 127.74 2jx2 s MET 69 Ca 0.08 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.10 2jx2 s MET 69 Cb -0.09 -0.73 0.08 0.00 2.01 0.00 0.00 34.83 36.10 2jx2 s MET 69 CO 0.03 0.15 0.03 0.34 -0.01 0.00 0.00 175.02 175.56 2jx2 s ASP 70 N -1.84 4.16 0.29 3.03 2.15 0.13 -4.90 116.67 119.68 2jx2 s ASP 70 Ca -0.01 -1.61 0.14 0.00 0.43 0.00 0.00 52.55 51.50 2jx2 s ASP 70 Cb -0.09 -1.20 0.33 0.00 -0.30 0.00 0.00 42.92 41.67 2jx2 s ASP 70 CO 0.02 -0.34 1.57 1.55 -0.17 0.00 0.00 175.17 177.80 2jx2 h PRO 71 N 7.90 0.00 0.00 4.34 0.13 -1.96 -1.06 132.00 141.35 2jx2 h PRO 71 Ca -0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2jx2 h PRO 71 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2jx2 h PRO 71 CO 0.46 0.57 -0.36 -1.00 -0.23 0.00 0.00 178.00 177.44 2jx2 h PRO 72 N 0.00 0.00 -0.07 1.56 0.13 -1.94 -3.22 132.00 128.46 2jx2 h PRO 72 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2jx2 h PRO 72 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jx2 h PRO 72 CO 0.07 0.36 0.00 0.54 -0.23 0.00 0.00 178.00 178.75 2jx2 n ARG 73 N -3.37 0.80 -3.55 0.86 1.74 -1.23 -4.98 116.66 106.93 2jx2 n ARG 73 Ca 0.01 -1.19 -0.25 0.00 -0.77 0.00 0.00 57.85 55.65 2jx2 n ARG 73 Cb 0.56 -1.15 0.06 0.00 -1.02 0.00 0.00 32.46 30.91 2jx2 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jx2 n ASN 74 N 0.35 -5.92 -3.91 0.55 3.02 -0.65 -4.92 115.26 103.78 2jx2 n ASN 74 Ca 0.05 -0.54 -0.18 0.00 -0.03 0.00 0.00 54.58 53.89 2jx2 n ASN 74 Cb 0.23 -4.70 -0.16 0.00 -0.61 0.00 0.00 39.78 34.55 2jx2 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jx2 s ALA 76 N 0.49 3.64 -0.09 0.00 0.00 0.09 0.17 121.76 126.06 2jx2 s ALA 76 Ca -0.06 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2jx2 s ALA 76 Cb -0.09 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2jx2 s ALA 76 CO -0.00 0.17 -0.16 -0.06 0.00 0.00 0.00 175.76 175.71 2jx2 s PHE 77 N -2.21 1.90 -0.02 0.00 0.40 0.40 -0.69 117.98 117.77 2jx2 s PHE 77 Ca 0.35 -0.80 0.07 0.00 -0.60 0.00 0.00 56.93 55.96 2jx2 s PHE 77 Cb -0.07 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.09 2jx2 s PHE 77 CO 0.25 -0.38 -0.22 0.08 0.70 0.00 0.00 175.22 175.65 2jx2 s VAL 78 N 0.71 2.43 -0.16 -0.44 1.01 -0.92 -1.26 120.40 121.77 2jx2 s VAL 78 Ca -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 2jx2 s VAL 78 Cb -0.16 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2jx2 s VAL 78 CO 0.03 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.69 2jx2 s THR 79 N -0.70 3.36 -0.17 3.92 2.01 -1.06 0.25 115.64 123.25 2jx2 s THR 79 Ca 0.11 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 2jx2 s THR 79 Cb -0.10 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2jx2 s THR 79 CO 0.00 0.49 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.05 2jx2 s TYR 80 N 0.60 2.94 0.38 4.92 2.02 0.56 -2.78 117.35 125.99 2jx2 s TYR 80 Ca -0.05 -0.59 0.23 0.00 -0.37 0.00 0.00 57.07 56.29 2jx2 s TYR 80 Cb -0.15 -1.97 1.35 0.00 -0.40 0.00 0.00 41.96 40.79 2jx2 s TYR 80 CO 0.03 -0.24 1.59 1.49 -1.57 0.00 0.00 175.55 176.85 2jx2 h GLU 81 N 7.13 0.04 -5.68 -0.62 4.81 -1.80 1.81 114.58 120.28 2jx2 h GLU 81 Ca -0.32 -0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.43 2jx2 h GLU 81 Cb 1.19 -0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.39 2jx2 h GLU 81 CO 0.60 0.03 -0.76 0.15 -0.73 0.00 0.00 179.01 178.29 2jx2 s LYS 82 N -5.48 1.21 0.49 1.92 1.02 -1.26 0.26 119.74 117.90 2jx2 s LYS 82 Ca -0.09 -1.41 0.28 0.00 0.02 0.00 0.00 55.97 54.78 2jx2 s LYS 82 Cb 0.33 -1.14 0.95 0.00 -0.52 0.00 0.00 37.83 37.44 2jx2 s LYS 82 CO 0.79 0.22 1.83 0.52 -0.92 0.00 0.00 175.35 177.79 2jx2 h MET 83 N 3.14 0.00 0.05 1.68 2.86 -1.77 -3.18 114.93 117.71 2jx2 h MET 83 Ca -0.40 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2jx2 h MET 83 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2jx2 h MET 83 CO 0.54 0.05 -0.02 0.93 1.06 0.00 0.00 176.91 179.47 2jx2 h GLU 84 N 0.00 -0.06 -0.56 1.72 5.08 -1.95 0.24 114.58 119.06 2jx2 h GLU 84 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2jx2 h GLU 84 Cb 0.73 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2jx2 h GLU 84 CO 0.01 0.22 0.37 0.77 -1.00 0.00 0.00 179.01 179.38 2jx2 h SER 85 N -0.34 0.58 0.66 1.42 0.02 -1.83 -0.51 113.55 113.56 2jx2 h SER 85 Ca -0.01 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 2jx2 h SER 85 Cb 0.31 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2jx2 h SER 85 CO 0.01 0.41 -0.77 0.00 -1.14 0.00 0.00 176.83 175.34 2jx2 h ALA 86 N 1.67 0.71 -0.39 3.77 0.00 -1.48 -2.59 119.26 120.95 2jx2 h ALA 86 Ca 0.22 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2jx2 h ALA 86 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jx2 h ALA 86 CO -0.05 0.91 -0.21 -0.44 0.00 0.00 0.00 179.25 179.45 2jx2 h ASP 87 N 0.05 0.78 -0.25 0.00 3.32 0.10 0.13 116.42 120.56 2jx2 h ASP 87 Ca -0.02 -0.28 -0.14 0.00 0.02 0.00 0.00 57.03 56.61 2jx2 h ASP 87 Cb 1.35 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 2jx2 h ASP 87 CO 0.11 0.97 -0.40 -0.61 -1.72 0.00 0.00 179.24 177.59 2jx2 h GLN 88 N 0.67 0.71 -0.33 3.56 4.15 -1.22 -2.48 115.11 120.17 2jx2 h GLN 88 Ca 0.10 -0.43 -0.11 0.00 0.77 0.00 0.00 58.65 58.98 2jx2 h GLN 88 Cb 0.72 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2jx2 h GLN 88 CO 0.06 1.05 -0.21 0.00 -1.93 0.00 0.00 178.83 177.80 2jx2 h ALA 89 N 0.65 0.47 -0.79 3.38 0.00 -1.33 -0.46 119.26 121.18 2jx2 h ALA 89 Ca 0.02 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2jx2 h ALA 89 Cb 1.00 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2jx2 h ALA 89 CO 0.09 0.42 0.52 0.28 0.00 0.00 0.00 179.25 180.56 2jx2 h VAL 90 N 0.48 1.08 0.06 0.00 2.07 -0.73 1.85 116.25 121.06 2jx2 h VAL 90 Ca 0.07 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2jx2 h VAL 90 Cb 0.76 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2jx2 h VAL 90 CO 0.06 0.16 -0.03 0.00 0.02 0.00 0.00 177.57 177.78 2jx2 h ALA 91 N 1.56 -0.09 -0.39 1.67 0.00 -1.24 0.07 119.26 120.85 2jx2 h ALA 91 Ca 0.33 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2jx2 h ALA 91 Cb 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jx2 h ALA 91 CO -0.11 -0.15 -0.08 0.93 0.00 0.00 0.00 179.25 179.85 2jx2 h GLU 92 N -0.89 0.74 -0.40 0.00 4.39 -0.88 -3.06 114.58 114.48 2jx2 h GLU 92 Ca -0.01 -0.27 -0.14 0.00 0.34 0.00 0.00 59.36 59.28 2jx2 h GLU 92 Cb 0.61 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2jx2 h GLU 92 CO 0.01 0.87 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.36 2jx2 h LEU 93 N 0.55 0.92 -9.56 1.33 3.38 0.28 -3.42 115.31 108.79 2jx2 h LEU 93 Ca 0.10 -0.38 -0.53 0.00 0.09 0.00 0.00 57.88 57.16 2jx2 h LEU 93 Cb 0.59 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.11 2jx2 h LEU 93 CO 0.03 1.15 0.77 0.21 0.09 0.00 0.00 178.44 180.69 2jx2 s ASN 94 N -6.79 6.76 0.00 -0.43 3.84 0.01 -2.77 114.94 115.56 2jx2 s ASN 94 Ca -0.10 2.40 0.00 0.00 0.21 0.00 0.00 52.86 55.37 2jx2 s ASN 94 Cb 0.12 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 2jx2 s ASN 94 CO 0.86 -0.70 0.00 0.61 -2.79 0.00 0.00 177.10 175.09 2jx2 n GLY 95 N 3.56 0.87 3.49 1.21 0.00 -1.26 -4.85 105.19 108.22 2jx2 n GLY 95 Ca 0.12 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 2jx2 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jx2 s THR 96 N -2.15 2.54 0.10 2.61 -4.23 -1.12 -5.05 115.64 108.34 2jx2 s THR 96 Ca 0.00 -2.36 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 2jx2 s THR 96 Cb 0.00 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 2jx2 s THR 96 CO 0.00 -0.39 -0.07 -1.58 -0.54 0.00 0.00 174.62 172.05 2jx2 s GLN 97 N -3.53 0.83 0.00 3.99 0.74 -1.26 -1.85 119.66 118.58 2jx2 s GLN 97 Ca 0.30 -1.33 0.00 0.00 0.05 0.00 0.00 55.36 54.39 2jx2 s GLN 97 Cb -0.05 -0.20 0.00 0.00 1.10 0.00 0.00 33.01 33.86 2jx2 s GLN 97 CO 0.15 -0.02 0.00 0.28 -0.55 0.00 0.00 175.29 175.16 2jx2 n VAL 98 N -0.02 0.00 -0.26 1.34 0.31 0.29 -4.92 118.33 115.07 2jx2 n VAL 98 Ca -0.12 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.40 2jx2 n VAL 98 Cb 0.61 -0.34 0.50 0.00 -0.91 0.00 0.00 33.84 33.70 2jx2 n VAL 98 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2jx2 h GLU 99 N 0.00 0.42 0.00 5.55 5.08 -2.03 -3.33 114.58 120.27 2jx2 h GLU 99 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2jx2 h GLU 99 Cb 0.00 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.07 2jx2 h GLU 99 CO 0.00 0.28 -0.19 0.45 -1.00 0.00 0.00 179.01 178.55 2jx2 n SER 100 N -4.54 -0.65 -3.95 1.42 2.88 -1.26 -5.13 113.62 102.39 2jx2 n SER 100 Ca 0.20 -1.40 -0.10 0.00 -1.33 0.00 0.00 58.87 56.24 2jx2 n SER 100 Cb 0.70 0.19 -0.11 0.00 -0.75 0.00 0.00 64.21 64.24 2jx2 n SER 100 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jx2 s VAL 101 N 0.00 0.09 0.05 2.46 1.01 -1.25 -5.11 120.40 117.64 2jx2 s VAL 101 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2jx2 s VAL 101 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 2jx2 s VAL 101 CO 0.00 -0.39 0.29 -1.10 0.00 0.00 0.00 175.10 173.90 2jx2 s GLN 102 N -1.16 3.57 -0.10 2.72 -0.21 -1.26 0.11 119.66 123.33 2jx2 s GLN 102 Ca -0.13 -0.13 -0.00 0.00 0.02 0.00 0.00 55.36 55.13 2jx2 s GLN 102 Cb -0.08 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 2jx2 s GLN 102 CO -0.01 0.60 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.17 2jx2 s LEU 103 N -2.08 3.01 -0.01 2.90 1.43 -0.77 -4.57 118.68 118.59 2jx2 s LEU 103 Ca 0.32 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2jx2 s LEU 103 Cb -0.13 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2jx2 s LEU 103 CO 0.20 0.27 -0.24 -0.54 0.23 0.00 0.00 176.35 176.27 2jx2 s LYS 104 N -0.24 1.88 0.05 1.70 1.02 -0.81 -4.05 119.74 119.30 2jx2 s LYS 104 Ca 0.03 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.21 2jx2 s LYS 104 Cb -0.13 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 2jx2 s LYS 104 CO 0.03 0.50 -0.19 0.08 -0.92 0.00 0.00 175.35 174.85 2jx2 s VAL 105 N -0.59 1.53 0.00 3.17 1.01 -1.26 -1.67 120.40 122.59 2jx2 s VAL 105 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2jx2 s VAL 105 Cb -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2jx2 s VAL 105 CO -0.01 0.10 0.00 0.59 0.00 0.00 0.00 175.10 175.78 2jx2 n ASN 106 N 1.70 0.00 -4.49 3.32 3.02 0.60 -4.89 115.26 114.52 2jx2 n ASN 106 Ca -0.18 -0.71 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 2jx2 n ASN 106 Cb 0.54 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.58 2jx2 n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jx2 s ILE 107 N -2.72 3.36 0.19 2.41 1.01 -1.26 -1.35 121.20 122.83 2jx2 s ILE 107 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.13 2jx2 s ILE 107 Cb 0.00 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2jx2 s ILE 107 CO 0.00 0.57 0.02 0.00 0.00 0.00 0.00 174.94 175.53 2jx2 s ALA 108 N -0.45 3.24 -1.27 9.38 0.00 -1.20 -4.56 121.76 126.90 2jx2 s ALA 108 Ca 0.06 -1.41 0.10 0.00 0.00 0.00 0.00 51.96 50.71 2jx2 s ALA 108 Cb -0.12 -0.99 0.42 0.00 0.00 0.00 0.00 23.12 22.42 2jx2 s ALA 108 CO 0.02 0.43 1.25 0.54 0.00 0.00 0.00 175.76 178.00 2jx2 n ARG 109 N -0.33 2.60 -0.18 0.00 1.74 -1.26 -4.64 116.66 114.59 2jx2 n ARG 109 Ca -0.09 -1.64 -0.04 0.00 -0.77 0.00 0.00 57.85 55.31 2jx2 n ARG 109 Cb 0.56 -1.64 0.03 0.00 -1.02 0.00 0.00 32.46 30.40 2jx2 n ARG 109 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2jx2 n LYS 110 N 0.53 -0.98 -2.70 5.56 5.02 -1.26 -4.58 118.16 119.76 2jx2 n LYS 110 Ca 0.15 -0.25 -0.09 0.00 -2.02 0.00 0.00 58.31 56.10 2jx2 n LYS 110 Cb 0.57 -0.21 0.05 0.00 -0.02 0.00 0.00 35.03 35.41 2jx2 n LYS 110 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2jx2 n GLN 111 N -1.80 -3.06 0.19 1.97 7.27 -1.26 -4.31 117.38 116.38 2jx2 n GLN 111 Ca 0.02 0.46 0.06 0.00 0.07 0.00 0.00 57.00 57.61 2jx2 n GLN 111 Cb 0.08 -4.21 0.36 0.00 2.41 0.00 0.00 30.24 28.88 2jx2 n GLN 111 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2jx2 h PRO 112 N -0.93 0.00 -0.56 3.69 0.13 -1.94 0.27 132.00 132.66 2jx2 h PRO 112 Ca -0.32 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.97 2jx2 h PRO 112 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2jx2 h PRO 112 CO 0.26 0.35 0.43 0.00 -0.23 0.00 0.00 178.00 178.81 2jx2 h MET 113 N 0.00 0.00 0.00 0.86 -0.00 -1.98 -3.06 114.93 110.75 2jx2 h MET 113 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 2jx2 h MET 113 Cb 0.86 0.00 -0.20 0.00 -0.00 0.00 0.00 31.60 32.26 2jx2 h MET 113 CO 0.05 0.00 -0.61 -0.11 -0.00 0.00 0.00 176.91 176.23 2jx2 n LEU 114 N -4.25 0.16 -3.63 -0.10 0.00 -1.17 -4.58 117.00 103.41 2jx2 n LEU 114 Ca 0.11 -1.69 -0.27 0.00 0.00 0.00 0.00 56.01 54.16 2jx2 n LEU 114 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.06 2jx2 n LEU 114 CO 0.36 0.78 -0.05 0.47 0.00 0.00 0.00 177.39 178.94 2jx2 n ASP 115 N 0.21 -3.05 0.00 1.96 8.00 0.66 -3.22 116.55 121.11 2jx2 n ASP 115 Ca -0.05 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2jx2 n ASP 115 Cb 0.87 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.42 2jx2 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jx2 n ALA 116 N -3.67 0.00 -3.49 2.24 0.00 0.52 -4.70 120.51 111.41 2jx2 n ALA 116 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 2jx2 n ALA 116 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2jx2 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jx2 s ALA 117 N -1.00 -1.75 0.29 0.00 0.00 -0.84 0.13 121.76 118.60 2jx2 s ALA 117 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.07 2jx2 s ALA 117 Cb 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.33 2jx2 s ALA 117 CO 0.00 -0.55 -0.09 0.95 0.00 0.00 0.00 175.76 176.08 2jx2 s THR 118 N -2.35 1.89 0.24 0.00 -4.23 -1.26 -5.00 115.64 104.93 2jx2 s THR 118 Ca -0.03 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.29 2jx2 s THR 118 Cb -0.01 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 2jx2 s THR 118 CO -0.02 -0.30 0.22 -0.83 -0.54 0.00 0.00 174.62 173.15 2jx2 s GLY 119 N -3.49 1.47 0.11 3.99 0.00 -1.26 -5.06 107.32 103.08 2jx2 s GLY 119 Ca 0.30 -1.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 2jx2 s GLY 119 CO 0.13 -1.28 1.18 1.25 0.00 0.00 0.00 173.10 174.37 2jx2 s LYS 120 N -3.95 4.48 0.00 2.90 2.20 -1.26 -5.32 119.74 118.79 2jx2 s LYS 120 Ca 0.37 1.77 0.22 0.00 -0.36 0.00 0.00 55.97 57.97 2jx2 s LYS 120 Cb 0.05 -3.31 0.17 0.00 -1.51 0.00 0.00 37.83 33.23 2jx2 s LYS 120 CO 0.15 -0.16 1.19 0.43 -0.36 0.00 0.00 175.35 176.60