#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx2 s PRO 36 N 0.00 4.26 0.07 0.00 0.04 -1.26 -5.05 135.00 133.06 2jx2 s PRO 36 Ca 0.00 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 2jx2 s PRO 36 Cb 0.00 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2jx2 s PRO 36 CO 0.00 -0.18 0.16 -0.98 0.04 0.00 0.00 177.00 176.04 2jx2 s ARG 37 N -1.97 0.76 0.62 4.56 1.70 -1.26 -5.11 118.95 118.25 2jx2 s ARG 37 Ca 0.52 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 2jx2 s ARG 37 Cb -0.34 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.34 2jx2 s ARG 37 CO 0.44 -0.22 0.00 1.63 -1.08 0.00 0.00 175.30 176.07 2jx2 n LYS 38 N 0.19 0.00 0.00 3.89 5.02 -1.26 -4.84 118.16 121.16 2jx2 n LYS 38 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2jx2 n LYS 38 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 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 0.00 0.31 3.67 0.72 0.00 0.70 -4.81 105.19 105.79 2jx2 n GLY 39 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 6.78 0.17 1.61 2.47 0.30 -4.01 114.94 122.26 2jx2 s ASN 40 Ca 0.00 2.08 -0.25 0.00 0.42 0.00 0.00 52.86 55.11 2jx2 s ASN 40 Cb 0.00 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.18 2jx2 s ASN 40 CO 0.00 -0.83 0.77 -0.89 -3.72 0.00 0.00 177.10 172.43 2jx2 s THR 41 N 3.39 4.39 0.01 -5.21 2.01 -1.25 0.47 115.64 119.45 2jx2 s THR 41 Ca 0.66 1.66 0.06 0.00 0.31 0.00 0.00 61.69 64.38 2jx2 s THR 41 Cb -0.30 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 2jx2 s THR 41 CO 0.25 0.49 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.73 2jx2 s LEU 42 N -1.23 2.56 -0.44 4.42 1.02 0.26 -2.67 118.68 122.60 2jx2 s LEU 42 Ca 0.36 -0.37 -0.17 0.00 0.02 0.00 0.00 54.13 53.98 2jx2 s LEU 42 Cb -0.22 -1.50 0.04 0.00 0.02 0.00 0.00 46.19 44.52 2jx2 s LEU 42 CO 0.26 0.29 0.42 -0.47 0.02 0.00 0.00 176.35 176.86 2jx2 s TYR 43 N -0.83 3.19 -0.12 0.29 5.04 -0.27 -2.32 117.35 122.32 2jx2 s TYR 43 Ca 0.13 -0.59 -0.04 0.00 -2.44 0.00 0.00 57.07 54.13 2jx2 s TYR 43 Cb -0.10 -2.97 -0.04 0.00 0.35 0.00 0.00 41.96 39.20 2jx2 s TYR 43 CO 0.03 -0.74 0.03 0.08 -1.34 0.00 0.00 175.55 173.61 2jx2 s VAL 44 N 1.97 4.56 -0.08 3.14 1.01 0.28 -0.83 120.40 130.45 2jx2 s VAL 44 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2jx2 s VAL 44 Cb -0.20 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2jx2 s VAL 44 CO 0.11 0.56 -0.20 -0.47 0.00 0.00 0.00 175.10 175.10 2jx2 s TYR 45 N -0.46 2.10 -0.04 5.22 5.04 -0.72 0.17 117.35 128.65 2jx2 s TYR 45 Ca 0.09 -0.78 -0.14 0.00 -2.44 0.00 0.00 57.07 53.80 2jx2 s TYR 45 Cb -0.12 -1.43 0.05 0.00 0.35 0.00 0.00 41.96 40.81 2jx2 s TYR 45 CO 0.02 -0.32 0.62 0.41 -1.34 0.00 0.00 175.55 174.94 2jx2 n GLY 46 N 3.49 0.26 3.42 8.97 0.00 -1.04 -2.15 105.19 118.15 2jx2 n GLY 46 Ca -0.20 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 1.52 -1.37 1.61 2.02 -1.26 -4.57 118.70 114.65 2jx2 s GLU 47 Ca 0.15 -1.59 -0.07 0.00 0.02 0.00 0.00 54.97 53.48 2jx2 s GLU 47 Cb -0.00 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 32.53 2jx2 s GLU 47 CO -0.01 0.35 0.42 -3.47 0.02 0.00 0.00 175.26 172.57 2jx2 n ASP 48 N -0.04 -1.21 -4.76 -0.19 2.03 -1.26 -4.93 116.55 106.19 2jx2 n ASP 48 Ca -0.10 -1.09 -0.36 0.00 0.52 0.00 0.00 54.79 53.76 2jx2 n ASP 48 Cb 0.58 -2.70 -0.08 0.00 -0.72 0.00 0.00 41.12 38.20 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 -6.71 3.18 0.35 -0.67 -1.94 -1.26 -5.11 119.30 107.14 2jx2 s MET 49 Ca 0.12 -0.30 0.08 0.00 -1.71 0.00 0.00 55.69 53.88 2jx2 s MET 49 Cb -0.05 -2.95 -0.07 0.00 2.01 0.00 0.00 34.83 33.76 2jx2 s MET 49 CO 0.91 0.73 -0.05 0.95 -0.01 0.00 0.00 175.02 177.55 2jx2 s THR 50 N -0.92 2.01 -0.02 2.05 -4.23 -1.26 -5.05 115.64 108.21 2jx2 s THR 50 Ca 0.14 -2.13 -0.22 0.00 -1.18 0.00 0.00 61.69 58.30 2jx2 s THR 50 Cb -0.12 -2.72 -0.15 0.00 1.34 0.00 0.00 72.50 70.86 2jx2 s THR 50 CO 0.03 -0.15 0.97 1.55 -0.54 0.00 0.00 174.62 176.48 2jx2 h PRO 51 N 2.01 -0.37 -0.56 3.99 0.13 -1.98 -2.18 132.00 133.03 2jx2 h PRO 51 Ca -0.42 0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.85 2jx2 h PRO 51 Cb 1.24 0.08 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 2jx2 h PRO 51 CO 0.73 -0.03 -0.13 1.15 -0.23 0.00 0.00 178.00 179.48 2jx2 h THR 52 N -0.89 0.45 -0.05 1.56 2.02 -1.99 0.43 112.91 114.43 2jx2 h THR 52 Ca -0.04 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2jx2 h THR 52 Cb 0.51 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2jx2 h THR 52 CO 0.06 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.16 2jx2 h LEU 53 N 0.01 -0.15 -0.64 2.58 5.85 -1.99 -2.07 115.31 118.89 2jx2 h LEU 53 Ca 0.27 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.09 2jx2 h LEU 53 Cb 0.41 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2jx2 h LEU 53 CO -0.57 -0.07 0.34 -0.07 -0.34 0.00 0.00 178.44 177.73 2jx2 h LEU 54 N -0.06 0.48 -1.14 2.25 3.38 -0.39 -0.27 115.31 119.56 2jx2 h LEU 54 Ca 0.04 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.24 2jx2 h LEU 54 Cb 0.12 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 2jx2 h LEU 54 CO -0.09 0.31 0.61 0.03 0.09 0.00 0.00 178.44 179.39 2jx2 h ARG 55 N 0.62 0.65 -0.13 1.13 3.08 0.45 0.41 114.38 120.59 2jx2 h ARG 55 Ca 0.30 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.19 2jx2 h ARG 55 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jx2 h ARG 55 CO -0.20 0.43 -0.44 0.78 -1.07 0.00 0.00 179.97 179.47 2jx2 h GLY 56 N 0.67 0.34 2.00 0.04 0.00 -0.59 2.08 103.07 107.62 2jx2 h GLY 56 Ca 0.55 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 2jx2 h GLY 56 CO -0.33 0.31 -0.27 0.00 0.00 0.00 0.00 176.54 176.26 2jx2 h ALA 57 N 1.28 0.89 -0.08 3.60 0.00 0.22 -3.19 119.26 121.99 2jx2 h ALA 57 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jx2 h ALA 57 Cb 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jx2 h ALA 57 CO 0.07 0.34 0.00 1.19 0.00 0.00 0.00 179.25 180.85 2jx2 n PHE 58 N -3.26 0.10 0.05 0.00 3.01 0.21 -4.59 117.46 112.99 2jx2 n PHE 58 Ca 0.01 -0.42 -0.08 0.00 1.01 0.00 0.00 57.45 57.98 2jx2 n PHE 58 Cb 0.55 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.93 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 0.54 -0.20 0.71 4.37 0.02 0.34 -3.16 113.55 116.17 2jx2 h SER 59 Ca 0.00 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2jx2 h SER 59 Cb 0.49 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2jx2 h SER 59 CO 0.00 0.35 -0.24 1.55 -1.14 0.00 0.00 176.83 177.34 2jx2 h PRO 60 N -0.99 0.00 0.00 3.45 0.13 -1.80 -2.84 132.00 129.95 2jx2 h PRO 60 Ca -0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 2jx2 h PRO 60 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2jx2 h PRO 60 CO 0.04 0.24 -0.45 0.74 -0.23 0.00 0.00 178.00 178.34 2jx2 h PHE 61 N 0.00 0.00 0.00 1.56 0.04 -1.81 -3.48 116.94 113.25 2jx2 h PHE 61 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jx2 h PHE 61 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 2jx2 h PHE 61 CO 0.00 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 2jx2 n GLY 62 N 0.29 -1.78 3.84 -1.45 0.00 -1.07 -4.65 105.19 100.37 2jx2 n GLY 62 Ca -0.00 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2jx2 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jx2 s ASN 63 N -1.60 6.77 -0.17 1.61 0.01 -1.26 -4.25 114.94 116.04 2jx2 s ASN 63 Ca 0.00 0.91 -0.09 0.00 -0.71 0.00 0.00 52.86 52.98 2jx2 s ASN 63 Cb 0.00 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 2jx2 s ASN 63 CO 0.00 0.33 0.12 -0.63 -1.51 0.00 0.00 177.10 175.41 2jx2 s ILE 64 N -1.05 5.33 -0.13 0.60 1.01 -1.26 -2.66 121.20 123.05 2jx2 s ILE 64 Ca 0.23 0.16 0.19 0.00 0.00 0.00 0.00 60.65 61.23 2jx2 s ILE 64 Cb -0.16 -3.40 -0.18 0.00 0.01 0.00 0.00 42.46 38.73 2jx2 s ILE 64 CO 0.12 0.49 0.65 2.30 0.00 0.00 0.00 174.94 178.51 2jx2 n ILE 65 N 3.09 0.83 -3.76 2.92 -5.35 -0.94 -4.92 119.36 111.23 2jx2 n ILE 65 Ca -0.17 -0.65 -0.12 0.00 -0.27 0.00 0.00 62.75 61.54 2jx2 n ILE 65 Cb 0.53 -0.44 -0.12 0.00 -1.74 0.00 0.00 39.64 37.87 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 -5.34 -0.30 -0.23 7.28 2.15 -1.26 -5.03 116.67 113.94 2jx2 s ASP 66 Ca -0.05 0.58 0.02 0.00 0.43 0.00 0.00 52.55 53.53 2jx2 s ASP 66 Cb 0.10 0.55 0.04 0.00 -0.30 0.00 0.00 42.92 43.31 2jx2 s ASP 66 CO 0.84 -0.12 -0.15 -0.22 -0.17 0.00 0.00 175.17 175.35 2jx2 s LEU 67 N 0.54 2.91 0.00 -1.34 1.98 -1.26 -1.81 118.68 119.69 2jx2 s LEU 67 Ca -0.03 -1.08 0.07 0.00 -2.89 0.00 0.00 54.13 50.19 2jx2 s LEU 67 Cb -0.05 -1.52 -0.02 0.00 0.66 0.00 0.00 46.19 45.26 2jx2 s LEU 67 CO -0.03 -0.11 -0.21 -0.44 -1.89 0.00 0.00 176.35 173.67 2jx2 s SER 68 N 1.18 2.50 0.06 3.68 0.01 -0.42 -5.02 113.70 115.70 2jx2 s SER 68 Ca -0.03 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.86 2jx2 s SER 68 Cb -0.17 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 2jx2 s SER 68 CO -0.08 0.23 -0.15 -0.04 0.41 0.00 0.00 173.24 173.61 2jx2 s MET 69 N -0.71 0.91 -0.31 12.44 -1.94 -1.26 0.16 119.30 128.59 2jx2 s MET 69 Ca 0.08 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 2jx2 s MET 69 Cb -0.08 -0.95 0.09 0.00 2.01 0.00 0.00 34.83 35.90 2jx2 s MET 69 CO 0.00 0.22 0.04 0.34 -0.01 0.00 0.00 175.02 175.61 2jx2 s ASP 70 N -1.50 4.41 0.29 3.03 -1.08 0.16 -4.91 116.67 117.07 2jx2 s ASP 70 Ca 0.00 -1.83 0.14 0.00 -0.52 0.00 0.00 52.55 50.35 2jx2 s ASP 70 Cb -0.09 -1.34 0.36 0.00 -1.46 0.00 0.00 42.92 40.38 2jx2 s ASP 70 CO 0.02 -0.36 1.58 1.55 0.52 0.00 0.00 175.17 178.49 2jx2 h PRO 71 N 7.80 0.00 -0.00 4.34 0.13 -1.96 -0.47 132.00 141.84 2jx2 h PRO 71 Ca -0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.86 2jx2 h PRO 71 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2jx2 h PRO 71 CO 0.49 0.56 -0.82 -1.00 -0.23 0.00 0.00 178.00 177.00 2jx2 h PRO 72 N 0.00 0.12 -0.02 1.56 0.13 -1.94 -3.23 132.00 128.62 2jx2 h PRO 72 Ca -0.01 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2jx2 h PRO 72 Cb 1.16 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jx2 h PRO 72 CO 0.07 0.87 -0.21 -2.13 -0.23 0.00 0.00 178.00 176.37 2jx2 n ARG 73 N -3.65 1.60 -3.39 0.86 0.63 -1.23 -4.98 116.66 106.49 2jx2 n ARG 73 Ca -0.02 -1.22 -0.19 0.00 -0.92 0.00 0.00 57.85 55.50 2jx2 n ARG 73 Cb 0.77 -1.35 0.08 0.00 0.45 0.00 0.00 32.46 32.40 2jx2 n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jx2 n ASN 74 N 0.43 -4.22 -3.79 6.15 3.02 -0.49 -4.95 115.26 111.41 2jx2 n ASN 74 Ca 0.09 -0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 54.00 2jx2 n ASN 74 Cb 0.43 -4.60 -0.14 0.00 -0.61 0.00 0.00 39.78 34.86 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 0.64 3.50 -0.06 0.00 0.00 0.13 0.38 121.76 126.35 2jx2 s ALA 76 Ca -0.05 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.44 2jx2 s ALA 76 Cb -0.07 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.91 2jx2 s ALA 76 CO -0.03 0.23 -0.13 -0.06 0.00 0.00 0.00 175.76 175.77 2jx2 s PHE 77 N -2.20 1.54 -0.06 0.00 0.08 0.42 -0.56 117.98 117.20 2jx2 s PHE 77 Ca 0.33 -0.55 0.05 0.00 0.12 0.00 0.00 56.93 56.88 2jx2 s PHE 77 Cb -0.07 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 2jx2 s PHE 77 CO 0.24 -0.27 -0.23 0.08 -0.10 0.00 0.00 175.22 174.94 2jx2 s VAL 78 N 0.56 1.91 -0.19 -0.44 1.01 -0.98 -1.30 120.40 120.98 2jx2 s VAL 78 Ca -0.13 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 2jx2 s VAL 78 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2jx2 s VAL 78 CO 0.04 0.53 0.08 -0.89 0.00 0.00 0.00 175.10 174.86 2jx2 s THR 79 N -0.01 4.96 -0.09 3.92 2.01 -0.75 0.88 115.64 126.56 2jx2 s THR 79 Ca -0.07 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 2jx2 s THR 79 Cb -0.14 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2jx2 s THR 79 CO 0.04 0.46 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.05 2jx2 s TYR 80 N 0.34 2.93 0.55 4.92 2.02 0.18 -2.21 117.35 126.08 2jx2 s TYR 80 Ca 0.04 -0.13 0.27 0.00 -0.37 0.00 0.00 57.07 56.88 2jx2 s TYR 80 Cb -0.12 -1.78 1.45 0.00 -0.40 0.00 0.00 41.96 41.12 2jx2 s TYR 80 CO -0.00 0.18 1.99 1.49 -1.57 0.00 0.00 175.55 177.64 2jx2 h GLU 81 N 5.73 0.00 -4.55 -0.62 4.81 -1.83 0.88 114.58 119.00 2jx2 h GLU 81 Ca -0.42 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.53 2jx2 h GLU 81 Cb 1.18 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 2jx2 h GLU 81 CO 0.55 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.24 2jx2 s LYS 82 N -4.89 0.52 0.56 1.92 1.02 -1.26 -3.56 119.74 114.05 2jx2 s LYS 82 Ca -0.05 -0.69 0.34 0.00 0.02 0.00 0.00 55.97 55.59 2jx2 s LYS 82 Cb 0.18 -0.32 1.52 0.00 -0.52 0.00 0.00 37.83 38.70 2jx2 s LYS 82 CO 0.67 0.06 2.05 0.52 -0.92 0.00 0.00 175.35 177.73 2jx2 h MET 83 N 4.68 0.00 -0.48 1.68 2.86 -1.93 -2.75 114.93 118.99 2jx2 h MET 83 Ca -0.35 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.20 2jx2 h MET 83 Cb 1.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2jx2 h MET 83 CO 0.42 0.04 -0.07 0.93 1.06 0.00 0.00 176.91 179.29 2jx2 h GLU 84 N 0.00 0.90 -0.07 1.72 5.08 -1.95 -2.14 114.58 118.11 2jx2 h GLU 84 Ca -0.00 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2jx2 h GLU 84 Cb 0.42 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jx2 h GLU 84 CO 0.01 0.97 -0.16 0.77 -1.00 0.00 0.00 179.01 179.59 2jx2 h SER 85 N 0.75 0.10 0.59 1.42 0.02 -1.75 -1.89 113.55 112.80 2jx2 h SER 85 Ca 0.13 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 2jx2 h SER 85 Cb 0.61 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2jx2 h SER 85 CO 0.04 0.28 -0.70 0.00 -1.14 0.00 0.00 176.83 175.31 2jx2 h ALA 86 N 1.73 0.81 -0.27 3.77 0.00 -1.48 -2.63 119.26 121.20 2jx2 h ALA 86 Ca 0.02 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2jx2 h ALA 86 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jx2 h ALA 86 CO 0.02 0.84 -0.10 0.22 0.00 0.00 0.00 179.25 180.23 2jx2 h ASP 87 N 0.06 0.55 -0.73 0.00 3.58 -0.71 0.51 116.42 119.68 2jx2 h ASP 87 Ca -0.01 -0.39 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 2jx2 h ASP 87 Cb 1.23 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2jx2 h ASP 87 CO 0.10 0.82 0.21 -0.61 -2.88 0.00 0.00 179.24 176.87 2jx2 h GLN 88 N 0.28 1.16 -0.06 0.28 4.15 -1.46 -0.69 115.11 118.76 2jx2 h GLN 88 Ca 0.06 -0.26 -0.17 0.00 0.77 0.00 0.00 58.65 59.05 2jx2 h GLN 88 Cb 0.60 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.14 2jx2 h GLN 88 CO 0.03 1.00 -0.62 0.00 -1.93 0.00 0.00 178.83 177.31 2jx2 h ALA 89 N 1.11 0.16 -0.18 3.38 0.00 -1.35 -1.29 119.26 121.09 2jx2 h ALA 89 Ca 0.23 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jx2 h ALA 89 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jx2 h ALA 89 CO -0.00 0.43 0.04 0.28 0.00 0.00 0.00 179.25 180.00 2jx2 h VAL 90 N 0.11 1.10 0.00 0.00 2.07 0.17 1.22 116.25 120.92 2jx2 h VAL 90 Ca -0.06 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2jx2 h VAL 90 Cb 1.29 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2jx2 h VAL 90 CO 0.12 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 177.82 2jx2 h ALA 91 N 1.80 0.00 -0.07 1.67 0.00 -1.09 -2.25 119.26 119.31 2jx2 h ALA 91 Ca 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2jx2 h ALA 91 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jx2 h ALA 91 CO -0.00 0.01 -0.16 0.93 0.00 0.00 0.00 179.25 180.03 2jx2 h GLU 92 N -1.00 0.24 -0.52 0.00 5.08 -1.11 -3.20 114.58 114.07 2jx2 h GLU 92 Ca -0.00 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2jx2 h GLU 92 Cb 0.81 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2jx2 h GLU 92 CO -0.00 0.75 0.12 -0.07 -1.00 0.00 0.00 179.01 178.81 2jx2 h LEU 93 N -0.24 0.75 -9.35 1.33 3.38 0.14 -3.41 115.31 107.90 2jx2 h LEU 93 Ca 0.00 -0.13 -0.55 0.00 0.09 0.00 0.00 57.88 57.29 2jx2 h LEU 93 Cb 0.75 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jx2 h LEU 93 CO 0.04 0.74 0.70 0.21 0.09 0.00 0.00 178.44 180.22 2jx2 s ASN 94 N -6.59 7.02 0.00 -0.43 3.84 -0.85 -3.02 114.94 114.91 2jx2 s ASN 94 Ca -0.10 1.91 0.00 0.00 0.21 0.00 0.00 52.86 54.88 2jx2 s ASN 94 Cb 0.15 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 2jx2 s ASN 94 CO 0.80 -0.59 0.00 0.61 -2.79 0.00 0.00 177.10 175.13 2jx2 n GLY 95 N 3.40 1.05 3.57 1.21 0.00 -1.26 -4.83 105.19 108.33 2jx2 n GLY 95 Ca 0.11 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.01 0.12 2.61 -4.23 -1.17 -5.06 115.64 108.92 2jx2 s THR 96 Ca 0.00 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2jx2 s THR 96 Cb 0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 2jx2 s THR 96 CO 0.00 -0.38 -0.10 -1.58 -0.54 0.00 0.00 174.62 172.03 2jx2 s GLN 97 N -3.61 0.96 0.00 3.99 0.74 -1.26 -2.52 119.66 117.95 2jx2 s GLN 97 Ca 0.31 -1.34 0.00 0.00 0.05 0.00 0.00 55.36 54.38 2jx2 s GLN 97 Cb -0.05 -0.53 0.00 0.00 1.10 0.00 0.00 33.01 33.53 2jx2 s GLN 97 CO 0.18 0.06 0.00 0.28 -0.55 0.00 0.00 175.29 175.26 2jx2 n VAL 98 N 0.06 0.00 -0.20 1.34 0.31 0.23 -4.95 118.33 115.11 2jx2 n VAL 98 Ca -0.12 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 2jx2 n VAL 98 Cb 0.60 -0.19 0.33 0.00 -0.91 0.00 0.00 33.84 33.66 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 0.79 0.00 5.55 5.08 -2.03 -3.36 114.58 120.61 2jx2 h GLU 99 Ca 0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2jx2 h GLU 99 Cb 0.00 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.01 2jx2 h GLU 99 CO 0.00 0.53 -0.14 0.45 -1.00 0.00 0.00 179.01 178.85 2jx2 n SER 100 N -4.48 -0.47 -3.96 1.42 2.88 -1.26 -5.13 113.62 102.63 2jx2 n SER 100 Ca 0.11 -1.33 -0.11 0.00 -1.33 0.00 0.00 58.87 56.22 2jx2 n SER 100 Cb 0.21 0.14 -0.12 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.14 0.02 2.46 1.01 -1.26 -5.14 120.40 117.63 2jx2 s VAL 101 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2jx2 s VAL 101 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2jx2 s VAL 101 CO 0.00 -0.31 0.17 -1.10 0.00 0.00 0.00 175.10 173.86 2jx2 s GLN 102 N -0.98 3.36 -0.10 2.72 -0.21 -1.26 0.76 119.66 123.95 2jx2 s GLN 102 Ca -0.10 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.89 2jx2 s GLN 102 Cb -0.07 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 2jx2 s GLN 102 CO -0.01 0.65 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.17 2jx2 s LEU 103 N -2.11 2.77 0.04 2.90 1.43 -1.05 -4.60 118.68 118.06 2jx2 s LEU 103 Ca 0.29 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2jx2 s LEU 103 Cb -0.13 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2jx2 s LEU 103 CO 0.21 0.24 -0.17 -0.54 0.23 0.00 0.00 176.35 176.32 2jx2 s LYS 104 N -0.07 2.10 0.06 1.70 1.02 -0.91 -4.00 119.74 119.63 2jx2 s LYS 104 Ca -0.02 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.06 2jx2 s LYS 104 Cb -0.14 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2jx2 s LYS 104 CO 0.04 0.54 -0.17 0.08 -0.92 0.00 0.00 175.35 174.91 2jx2 s VAL 105 N -0.94 1.40 0.00 3.17 1.01 -1.26 -1.76 120.40 122.01 2jx2 s VAL 105 Ca 0.15 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2jx2 s VAL 105 Cb -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2jx2 s VAL 105 CO 0.06 0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.78 2jx2 n ASN 106 N 1.66 0.00 -4.57 3.32 3.02 -0.01 -4.93 115.26 113.75 2jx2 n ASN 106 Ca -0.18 -0.79 -0.34 0.00 -0.03 0.00 0.00 54.58 53.24 2jx2 n ASN 106 Cb 0.54 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.88 3.84 0.05 2.41 -1.09 -1.26 -1.12 121.20 121.15 2jx2 s ILE 107 Ca 0.00 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.05 2jx2 s ILE 107 Cb 0.00 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 2jx2 s ILE 107 CO 0.00 0.57 -0.12 0.00 -1.23 0.00 0.00 174.94 174.16 2jx2 s ALA 108 N -0.51 0.99 -0.48 9.38 0.00 -1.09 -4.62 121.76 125.43 2jx2 s ALA 108 Ca 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2jx2 s ALA 108 Cb -0.12 -0.08 0.60 0.00 0.00 0.00 0.00 23.12 23.52 2jx2 s ALA 108 CO 0.02 0.13 1.88 0.54 0.00 0.00 0.00 175.76 178.32 2jx2 n ARG 109 N 1.51 2.34 0.00 0.00 1.74 -1.26 -4.22 116.66 116.76 2jx2 n ARG 109 Ca -0.21 -3.13 0.09 0.00 -0.77 0.00 0.00 57.85 53.84 2jx2 n ARG 109 Cb 0.54 -2.17 0.48 0.00 -1.02 0.00 0.00 32.46 30.29 2jx2 n ARG 109 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jx2 n LYS 110 N -1.08 0.33 -3.56 5.56 4.81 -1.26 -3.81 118.16 119.14 2jx2 n LYS 110 Ca 0.57 0.09 -0.28 0.00 -0.87 0.00 0.00 58.31 57.82 2jx2 n LYS 110 Cb 1.35 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.81 2jx2 n LYS 110 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2jx2 n GLN 111 N -1.22 2.40 0.20 1.64 -0.06 -1.26 -4.85 117.38 114.22 2jx2 n GLN 111 Ca 0.10 -4.62 0.10 0.00 -2.00 0.00 0.00 57.00 50.58 2jx2 n GLN 111 Cb 0.13 -2.28 0.14 0.00 -4.06 0.00 0.00 30.24 24.16 2jx2 n GLN 111 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2jx2 h PRO 112 N 4.63 0.00 -1.44 3.69 0.13 -1.95 -1.70 132.00 135.36 2jx2 h PRO 112 Ca 0.18 0.00 0.46 0.00 -0.87 0.00 0.00 66.00 65.77 2jx2 h PRO 112 Cb 0.69 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.71 2jx2 h PRO 112 CO 0.82 0.09 0.96 0.00 -0.23 0.00 0.00 178.00 179.65 2jx2 h MET 113 N 0.00 0.06 0.00 0.86 -0.00 -1.94 -1.56 114.93 112.35 2jx2 h MET 113 Ca -0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.59 2jx2 h MET 113 Cb 1.07 -0.01 -0.21 0.00 -0.00 0.00 0.00 31.60 32.45 2jx2 h MET 113 CO 0.01 0.04 -0.74 -0.11 -0.00 0.00 0.00 176.91 176.12 2jx2 n LEU 114 N -4.51 0.44 -3.99 -0.10 0.00 -1.25 -5.01 117.00 102.57 2jx2 n LEU 114 Ca 0.38 -1.60 -0.35 0.00 0.00 0.00 0.00 56.01 54.44 2jx2 n LEU 114 Cb 1.53 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 44.95 2jx2 n LEU 114 CO 0.27 0.52 -0.22 0.47 0.00 0.00 0.00 177.39 178.43 2jx2 n ASP 115 N 0.26 -2.59 0.00 1.96 8.00 -0.59 -2.99 116.55 120.60 2jx2 n ASP 115 Ca 0.01 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2jx2 n ASP 115 Cb 0.92 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.61 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 -4.60 0.00 -3.49 2.24 0.00 -0.65 -4.56 120.51 109.44 2jx2 n ALA 116 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2jx2 n ALA 116 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.80 -1.74 0.26 0.00 0.00 -1.16 0.25 121.76 118.58 2jx2 s ALA 117 Ca 0.00 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2jx2 s ALA 117 Cb 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.33 2jx2 s ALA 117 CO 0.00 -0.53 0.02 0.95 0.00 0.00 0.00 175.76 176.20 2jx2 s THR 118 N -2.26 1.06 0.31 0.00 -4.23 -1.26 -5.02 115.64 104.23 2jx2 s THR 118 Ca -0.04 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 2jx2 s THR 118 Cb -0.01 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 2jx2 s THR 118 CO -0.01 -0.20 0.38 -0.83 -0.54 0.00 0.00 174.62 173.42 2jx2 s GLY 119 N -3.36 1.54 -1.25 3.99 0.00 -1.26 -4.91 107.32 102.07 2jx2 s GLY 119 Ca 0.32 -1.59 -0.06 0.00 0.00 0.00 0.00 44.72 43.39 2jx2 s GLY 119 CO 0.11 -1.12 1.08 0.28 0.00 0.00 0.00 173.10 173.45 2jx2 n LYS 120 N -0.51 -7.22 0.00 2.90 5.02 -1.26 -5.32 118.16 111.77 2jx2 n LYS 120 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2jx2 n LYS 120 Cb 0.62 -5.74 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 2jx2 n LYS 120 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75