#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 3.36 0.00 0.00 0.04 -1.26 -4.96 135.00 132.17 2jx2 s PRO 36 Ca 0.00 1.62 0.19 0.00 0.04 0.00 0.00 61.00 62.85 2jx2 s PRO 36 Cb 0.00 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 2jx2 s PRO 36 CO 0.00 -0.85 0.88 0.54 0.04 0.00 0.00 177.00 177.61 2jx2 n ARG 37 N -1.30 0.99 -0.41 4.56 1.74 -1.26 -4.97 116.66 116.02 2jx2 n ARG 37 Ca 0.12 -0.37 -0.12 0.00 -0.77 0.00 0.00 57.85 56.71 2jx2 n ARG 37 Cb 0.51 -1.40 0.10 0.00 -1.02 0.00 0.00 32.46 30.65 2jx2 n ARG 37 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2jx2 n LYS 38 N -0.90 -1.84 0.00 5.56 5.02 -1.26 -4.20 118.16 120.55 2jx2 n LYS 38 Ca 0.05 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 2jx2 n LYS 38 Cb 0.35 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 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 -0.34 1.34 3.39 0.72 0.00 0.18 -4.79 105.19 105.69 2jx2 n GLY 39 Ca 0.06 0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 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 6.19 0.03 1.61 2.47 0.57 -2.92 114.94 122.89 2jx2 s ASN 40 Ca 0.00 -1.29 -0.30 0.00 0.42 0.00 0.00 52.86 51.68 2jx2 s ASN 40 Cb 0.00 -2.28 -0.06 0.00 -1.45 0.00 0.00 41.25 37.47 2jx2 s ASN 40 CO 0.00 -0.97 1.29 -0.89 -3.72 0.00 0.00 177.10 172.81 2jx2 s THR 41 N 2.45 3.85 0.01 -5.21 2.01 -1.24 -0.66 115.64 116.85 2jx2 s THR 41 Ca 0.11 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.40 2jx2 s THR 41 Cb -0.23 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2jx2 s THR 41 CO 0.08 0.05 0.04 -0.76 -0.69 0.00 0.00 174.62 173.34 2jx2 s LEU 42 N 1.66 3.68 -0.31 4.42 1.43 0.42 -2.22 118.68 127.76 2jx2 s LEU 42 Ca 0.61 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 2jx2 s LEU 42 Cb -0.31 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2jx2 s LEU 42 CO 0.27 0.26 0.35 -0.47 0.23 0.00 0.00 176.35 176.99 2jx2 s TYR 43 N -1.17 3.22 -0.06 0.29 5.04 0.07 -1.92 117.35 122.81 2jx2 s TYR 43 Ca 0.22 0.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.05 2jx2 s TYR 43 Cb -0.12 -2.61 -0.03 0.00 0.35 0.00 0.00 41.96 39.56 2jx2 s TYR 43 CO 0.13 -0.33 -0.13 0.08 -1.34 0.00 0.00 175.55 173.96 2jx2 s VAL 44 N 2.03 3.12 -0.05 3.14 1.01 0.48 0.10 120.40 130.24 2jx2 s VAL 44 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2jx2 s VAL 44 Cb -0.16 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2jx2 s VAL 44 CO 0.11 0.59 -0.19 -0.47 0.00 0.00 0.00 175.10 175.13 2jx2 s TYR 45 N -0.63 1.89 -0.02 5.22 5.04 0.77 -0.14 117.35 129.49 2jx2 s TYR 45 Ca 0.09 -0.55 -0.14 0.00 -2.44 0.00 0.00 57.07 54.03 2jx2 s TYR 45 Cb -0.11 -1.26 0.05 0.00 0.35 0.00 0.00 41.96 40.98 2jx2 s TYR 45 CO 0.01 -0.18 0.64 0.41 -1.34 0.00 0.00 175.55 175.09 2jx2 n GLY 46 N 3.09 0.39 3.38 8.97 0.00 -0.94 -1.17 105.19 118.91 2jx2 n GLY 46 Ca -0.18 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.01 1.42 -1.54 1.61 2.02 -1.26 -4.61 118.70 114.33 2jx2 s GLU 47 Ca 0.15 -1.56 -0.07 0.00 0.02 0.00 0.00 54.97 53.52 2jx2 s GLU 47 Cb -0.00 -1.45 0.06 0.00 0.10 0.00 0.00 34.13 32.84 2jx2 s GLU 47 CO -0.01 0.28 0.46 -3.47 0.02 0.00 0.00 175.26 172.54 2jx2 n ASP 48 N -0.11 -1.04 -4.86 -0.19 2.03 -1.26 -4.91 116.55 106.20 2jx2 n ASP 48 Ca -0.10 -1.07 -0.35 0.00 0.52 0.00 0.00 54.79 53.79 2jx2 n ASP 48 Cb 0.58 -2.64 -0.06 0.00 -0.72 0.00 0.00 41.12 38.29 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 -6.85 3.77 0.32 -0.67 -1.94 -1.26 -5.10 119.30 107.57 2jx2 s MET 49 Ca 0.26 0.19 0.10 0.00 -1.71 0.00 0.00 55.69 54.53 2jx2 s MET 49 Cb -0.14 -3.06 -0.06 0.00 2.01 0.00 0.00 34.83 33.58 2jx2 s MET 49 CO 0.93 0.60 -0.11 0.95 -0.01 0.00 0.00 175.02 177.38 2jx2 s THR 50 N -1.31 2.19 -0.02 2.05 -4.23 -1.26 -5.04 115.64 108.02 2jx2 s THR 50 Ca 0.30 -2.23 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 2jx2 s THR 50 Cb -0.14 -2.55 -0.18 0.00 1.34 0.00 0.00 72.50 70.97 2jx2 s THR 50 CO 0.16 -0.26 1.16 1.55 -0.54 0.00 0.00 174.62 176.70 2jx2 h PRO 51 N 2.11 -0.19 -0.42 3.99 0.13 -1.98 -1.74 132.00 133.89 2jx2 h PRO 51 Ca -0.41 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 2jx2 h PRO 51 Cb 1.25 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2jx2 h PRO 51 CO 0.68 0.21 0.20 1.15 -0.23 0.00 0.00 178.00 180.01 2jx2 h THR 52 N -0.67 0.95 0.45 1.56 2.02 -1.99 0.15 112.91 115.39 2jx2 h THR 52 Ca -0.02 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2jx2 h THR 52 Cb 0.49 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2jx2 h THR 52 CO 0.03 0.07 -0.28 0.25 0.37 0.00 0.00 175.52 175.96 2jx2 h LEU 53 N 0.40 -0.71 -0.79 2.58 5.85 -1.98 -2.29 115.31 118.36 2jx2 h LEU 53 Ca 0.18 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.06 2jx2 h LEU 53 Cb 0.11 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 2jx2 h LEU 53 CO -0.14 -0.45 0.42 -0.07 -0.34 0.00 0.00 178.44 177.86 2jx2 h LEU 54 N -0.71 0.56 -1.07 2.25 3.38 -1.00 0.67 115.31 119.39 2jx2 h LEU 54 Ca -0.05 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.17 2jx2 h LEU 54 Cb 0.58 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 2jx2 h LEU 54 CO 0.05 0.29 0.61 -0.09 0.09 0.00 0.00 178.44 179.40 2jx2 h ARG 55 N 0.68 0.72 -0.05 1.13 2.43 -0.16 0.39 114.38 119.52 2jx2 h ARG 55 Ca 0.40 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.41 2jx2 h ARG 55 Cb 0.45 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2jx2 h ARG 55 CO -0.29 0.48 -0.51 0.78 -1.51 0.00 0.00 179.97 178.92 2jx2 h GLY 56 N 0.75 0.14 2.00 2.80 0.00 -0.37 1.74 103.07 110.13 2jx2 h GLY 56 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2jx2 h GLY 56 CO -0.34 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.34 2jx2 h ALA 57 N 1.38 1.00 0.00 3.60 0.00 0.27 -3.12 119.26 122.39 2jx2 h ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jx2 h ALA 57 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jx2 h ALA 57 CO 0.07 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.51 2jx2 n PHE 58 N -2.62 0.00 0.06 0.00 3.72 -0.58 -4.65 117.46 113.39 2jx2 n PHE 58 Ca 0.02 -0.18 -0.09 0.00 -0.05 0.00 0.00 57.45 57.15 2jx2 n PHE 58 Cb 0.32 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 2jx2 n PHE 58 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2jx2 h SER 59 N 0.00 -0.20 0.14 4.37 0.02 0.27 -3.19 113.55 114.96 2jx2 h SER 59 Ca 0.00 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.54 2jx2 h SER 59 Cb 0.43 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2jx2 h SER 59 CO 0.00 0.35 -0.47 1.55 -1.14 0.00 0.00 176.83 177.12 2jx2 h PRO 60 N -0.94 0.39 -0.75 3.45 0.13 -1.81 -3.14 132.00 129.32 2jx2 h PRO 60 Ca -0.02 -0.21 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 2jx2 h PRO 60 Cb 0.47 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 2jx2 h PRO 60 CO 0.04 0.78 0.48 0.74 -0.23 0.00 0.00 178.00 179.81 2jx2 h PHE 61 N 0.31 0.90 -2.05 1.56 0.04 -1.83 -3.47 116.94 112.41 2jx2 h PHE 61 Ca 0.02 0.02 0.39 0.00 2.80 0.00 0.00 57.97 61.21 2jx2 h PHE 61 Cb 0.95 -0.30 -0.08 0.00 2.20 0.00 0.00 35.95 38.72 2jx2 h PHE 61 CO 0.03 0.53 0.98 0.20 -0.60 0.00 0.00 178.31 179.45 2jx2 s GLY 62 N -2.95 -0.18 0.16 -1.45 0.00 -1.19 -4.67 107.32 97.03 2jx2 s GLY 62 Ca -0.13 0.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 2jx2 s GLY 62 CO 0.78 6.63 0.73 0.21 0.00 0.00 0.00 173.10 181.45 2jx2 s ASN 63 N -3.93 7.27 -0.15 1.64 2.47 -1.26 -4.33 114.94 116.65 2jx2 s ASN 63 Ca 0.32 1.54 -0.06 0.00 0.42 0.00 0.00 52.86 55.08 2jx2 s ASN 63 Cb -0.00 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 2jx2 s ASN 63 CO -0.02 0.19 0.06 -0.63 -3.72 0.00 0.00 177.10 172.97 2jx2 s ILE 64 N -1.22 4.79 -0.09 -5.21 1.01 -1.26 -3.21 121.20 116.01 2jx2 s ILE 64 Ca 0.36 -0.05 0.22 0.00 0.00 0.00 0.00 60.65 61.18 2jx2 s ILE 64 Cb -0.21 -3.11 -0.26 0.00 0.01 0.00 0.00 42.46 38.89 2jx2 s ILE 64 CO 0.24 0.53 0.59 2.30 0.00 0.00 0.00 174.94 178.60 2jx2 n ILE 65 N 2.91 0.24 -3.15 2.92 -5.35 -1.02 -4.87 119.36 111.04 2jx2 n ILE 65 Ca -0.18 -0.53 0.04 0.00 -0.27 0.00 0.00 62.75 61.81 2jx2 n ILE 65 Cb 0.53 -0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.31 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 -4.79 -1.44 -0.22 7.28 2.15 -1.26 -5.03 116.67 113.37 2jx2 s ASP 66 Ca -0.06 0.59 -0.04 0.00 0.43 0.00 0.00 52.55 53.47 2jx2 s ASP 66 Cb 0.12 2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 44.82 2jx2 s ASP 66 CO 0.88 -0.27 -0.04 -0.22 -0.17 0.00 0.00 175.17 175.35 2jx2 s LEU 67 N 2.85 2.92 0.16 -1.34 2.96 -1.26 -1.96 118.68 123.01 2jx2 s LEU 67 Ca 0.16 -0.38 0.11 0.00 -0.22 0.00 0.00 54.13 53.80 2jx2 s LEU 67 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2jx2 s LEU 67 CO -0.23 -0.02 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.13 2jx2 s SER 68 N 1.46 3.60 -0.01 3.68 0.01 -0.15 -4.96 113.70 117.33 2jx2 s SER 68 Ca 0.06 -0.74 0.08 0.00 1.31 0.00 0.00 55.95 56.65 2jx2 s SER 68 Cb -0.14 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 2jx2 s SER 68 CO -0.03 0.14 -0.25 -0.04 0.41 0.00 0.00 173.24 173.48 2jx2 s MET 69 N -2.44 1.94 -0.30 12.44 -1.94 -1.26 0.96 119.30 128.70 2jx2 s MET 69 Ca 0.19 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 2jx2 s MET 69 Cb -0.09 -1.92 0.08 0.00 2.01 0.00 0.00 34.83 34.90 2jx2 s MET 69 CO 0.10 0.52 -0.03 0.34 -0.01 0.00 0.00 175.02 175.94 2jx2 s ASP 70 N -0.72 4.64 0.29 3.03 -1.08 0.45 -4.95 116.67 118.33 2jx2 s ASP 70 Ca 0.10 -1.71 0.14 0.00 -0.52 0.00 0.00 52.55 50.55 2jx2 s ASP 70 Cb -0.10 -1.60 0.35 0.00 -1.46 0.00 0.00 42.92 40.11 2jx2 s ASP 70 CO -0.00 -0.28 1.58 1.55 0.52 0.00 0.00 175.17 178.54 2jx2 h PRO 71 N 7.73 0.00 -0.02 4.34 0.13 -1.97 -1.52 132.00 140.69 2jx2 h PRO 71 Ca -0.13 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.74 2jx2 h PRO 71 Cb 1.03 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.18 2jx2 h PRO 71 CO 0.50 0.57 -1.00 -1.00 -0.23 0.00 0.00 178.00 176.83 2jx2 h PRO 72 N 0.00 0.69 -0.01 1.56 0.13 -1.94 -3.24 132.00 129.19 2jx2 h PRO 72 Ca -0.01 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2jx2 h PRO 72 Cb 1.17 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2jx2 h PRO 72 CO 0.07 1.30 -0.27 -2.13 -0.23 0.00 0.00 178.00 176.75 2jx2 n ARG 73 N -3.86 1.17 -3.48 0.86 0.63 -1.25 -4.95 116.66 105.79 2jx2 n ARG 73 Ca -0.10 -0.82 -0.19 0.00 -0.92 0.00 0.00 57.85 55.82 2jx2 n ARG 73 Cb 0.86 -1.48 0.09 0.00 0.45 0.00 0.00 32.46 32.38 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 -0.20 -3.60 -3.81 6.15 3.02 -0.69 -4.92 115.26 111.21 2jx2 n ASN 74 Ca 0.12 -0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 53.96 2jx2 n ASN 74 Cb 0.40 -5.06 -0.11 0.00 -0.61 0.00 0.00 39.78 34.40 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 -0.40 3.20 -0.09 0.00 0.00 0.81 -0.41 121.76 124.88 2jx2 s ALA 76 Ca -0.05 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.51 2jx2 s ALA 76 Cb -0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2jx2 s ALA 76 CO 0.01 0.41 -0.23 -0.06 0.00 0.00 0.00 175.76 175.89 2jx2 s PHE 77 N -1.90 2.55 -0.14 0.00 0.08 0.27 -0.38 117.98 118.46 2jx2 s PHE 77 Ca 0.29 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.45 2jx2 s PHE 77 Cb -0.08 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2jx2 s PHE 77 CO 0.19 -0.32 -0.13 0.08 -0.10 0.00 0.00 175.22 174.94 2jx2 s VAL 78 N 0.16 1.47 -0.12 -0.44 1.01 -0.81 -0.97 120.40 120.70 2jx2 s VAL 78 Ca -0.13 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2jx2 s VAL 78 Cb -0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2jx2 s VAL 78 CO 0.07 0.44 0.34 -0.89 0.00 0.00 0.00 175.10 175.06 2jx2 s THR 79 N 1.45 5.25 -0.04 3.92 2.01 -0.83 0.16 115.64 127.56 2jx2 s THR 79 Ca 0.03 0.65 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2jx2 s THR 79 Cb -0.13 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2jx2 s THR 79 CO -0.09 0.43 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.82 2jx2 s TYR 80 N 0.11 2.71 0.51 4.92 2.02 0.17 -2.43 117.35 125.35 2jx2 s TYR 80 Ca 0.19 -0.15 0.16 0.00 -0.37 0.00 0.00 57.07 56.90 2jx2 s TYR 80 Cb -0.14 -1.62 1.25 0.00 -0.40 0.00 0.00 41.96 41.05 2jx2 s TYR 80 CO 0.07 0.20 2.14 1.49 -1.57 0.00 0.00 175.55 177.88 2jx2 h GLU 81 N 5.24 0.01 -5.16 -0.62 4.81 -1.86 1.67 114.58 118.67 2jx2 h GLU 81 Ca -0.47 -0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.38 2jx2 h GLU 81 Cb 1.15 -0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.32 2jx2 h GLU 81 CO 0.50 0.02 -0.77 0.15 -0.73 0.00 0.00 179.01 178.18 2jx2 s LYS 82 N -5.05 0.77 0.53 1.92 1.02 -1.26 -3.82 119.74 113.85 2jx2 s LYS 82 Ca -0.05 -0.94 0.35 0.00 0.02 0.00 0.00 55.97 55.35 2jx2 s LYS 82 Cb 0.17 -0.70 1.60 0.00 -0.52 0.00 0.00 37.83 38.38 2jx2 s LYS 82 CO 0.67 0.15 2.04 0.52 -0.92 0.00 0.00 175.35 177.81 2jx2 h MET 83 N 4.26 0.00 -0.40 1.68 2.86 -1.86 -2.78 114.93 118.69 2jx2 h MET 83 Ca -0.40 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.21 2jx2 h MET 83 Cb 1.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2jx2 h MET 83 CO 0.41 0.00 0.11 0.93 1.06 0.00 0.00 176.91 179.42 2jx2 h GLU 84 N 0.00 0.63 -0.11 1.72 5.08 -1.96 -1.85 114.58 118.10 2jx2 h GLU 84 Ca 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2jx2 h GLU 84 Cb 0.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2jx2 h GLU 84 CO 0.00 0.65 -0.01 1.03 -1.00 0.00 0.00 179.01 179.68 2jx2 h SER 85 N 0.50 0.13 0.64 1.42 0.87 -1.76 -1.46 113.55 113.89 2jx2 h SER 85 Ca 0.13 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2jx2 h SER 85 Cb 0.29 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2jx2 h SER 85 CO -0.00 0.17 -0.74 0.00 -0.53 0.00 0.00 176.83 175.73 2jx2 h ALA 86 N 1.85 0.74 -0.03 6.23 0.00 -1.49 -1.75 119.26 124.81 2jx2 h ALA 86 Ca 0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2jx2 h ALA 86 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jx2 h ALA 86 CO 0.00 0.89 -0.01 0.22 0.00 0.00 0.00 179.25 180.35 2jx2 h ASP 87 N 0.05 0.06 -0.23 0.00 3.58 -0.47 0.87 116.42 120.29 2jx2 h ASP 87 Ca -0.02 -0.40 -0.11 0.00 0.42 0.00 0.00 57.03 56.93 2jx2 h ASP 87 Cb 1.31 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2jx2 h ASP 87 CO 0.10 0.45 -0.24 -0.61 -2.88 0.00 0.00 179.24 176.06 2jx2 h GLN 88 N -0.32 0.70 0.03 0.28 4.15 -1.50 0.34 115.11 118.78 2jx2 h GLN 88 Ca 0.01 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 2jx2 h GLN 88 Cb 0.42 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2jx2 h GLN 88 CO 0.00 0.87 -0.01 0.00 -1.93 0.00 0.00 178.83 177.76 2jx2 h ALA 89 N 1.13 -0.03 -0.25 3.38 0.00 -1.26 0.31 119.26 122.53 2jx2 h ALA 89 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2jx2 h ALA 89 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2jx2 h ALA 89 CO 0.06 -0.13 -0.12 0.28 0.00 0.00 0.00 179.25 179.34 2jx2 h VAL 90 N -0.82 1.21 0.12 0.00 2.07 0.75 1.17 116.25 120.76 2jx2 h VAL 90 Ca -0.00 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.42 2jx2 h VAL 90 Cb 0.72 1.15 0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2jx2 h VAL 90 CO 0.01 0.30 -0.71 0.00 0.02 0.00 0.00 177.57 177.19 2jx2 h ALA 91 N 1.49 -0.08 -0.01 1.67 0.00 -0.37 -1.95 119.26 120.01 2jx2 h ALA 91 Ca 0.08 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2jx2 h ALA 91 Cb 0.44 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jx2 h ALA 91 CO 0.03 0.33 -0.31 1.49 0.00 0.00 0.00 179.25 180.79 2jx2 h GLU 92 N -0.45 0.23 -0.60 0.00 4.81 -0.27 -3.29 114.58 115.01 2jx2 h GLU 92 Ca -0.12 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 2jx2 h GLU 92 Cb 1.56 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 2jx2 h GLU 92 CO 0.13 0.94 0.16 -0.07 -0.73 0.00 0.00 179.01 179.44 2jx2 h LEU 93 N -0.39 0.89 -9.51 1.64 3.38 0.13 -3.41 115.31 108.04 2jx2 h LEU 93 Ca -0.03 -0.23 -0.53 0.00 0.09 0.00 0.00 57.88 57.18 2jx2 h LEU 93 Cb 1.03 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 41.58 2jx2 h LEU 93 CO 0.06 0.89 0.97 0.21 0.09 0.00 0.00 178.44 180.66 2jx2 s ASN 94 N -6.26 6.58 0.00 -0.43 2.47 -0.73 -2.36 114.94 114.21 2jx2 s ASN 94 Ca -0.13 2.55 0.00 0.00 0.42 0.00 0.00 52.86 55.71 2jx2 s ASN 94 Cb 0.13 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2jx2 s ASN 94 CO 0.82 -0.88 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 2jx2 n GLY 95 N 3.94 1.09 3.46 1.21 0.00 -1.25 -4.85 105.19 108.78 2jx2 n GLY 95 Ca 0.15 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 2.33 0.07 2.61 -4.23 -0.99 -5.05 115.64 108.38 2jx2 s THR 96 Ca 0.00 -2.36 0.05 0.00 -1.18 0.00 0.00 61.69 58.21 2jx2 s THR 96 Cb 0.00 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 2jx2 s THR 96 CO 0.00 -0.40 -0.15 -1.58 -0.54 0.00 0.00 174.62 171.95 2jx2 s GLN 97 N -3.54 0.84 0.00 3.99 0.74 -1.26 -2.20 119.66 118.22 2jx2 s GLN 97 Ca 0.29 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.74 2jx2 s GLN 97 Cb -0.03 -0.86 0.00 0.00 1.10 0.00 0.00 33.01 33.22 2jx2 s GLN 97 CO 0.14 0.19 0.00 0.28 -0.55 0.00 0.00 175.29 175.35 2jx2 n VAL 98 N 1.28 0.00 -0.31 1.34 0.31 0.31 -4.92 118.33 116.34 2jx2 n VAL 98 Ca -0.21 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2jx2 n VAL 98 Cb 0.54 -0.15 0.33 0.00 -0.91 0.00 0.00 33.84 33.65 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 0.78 0.00 5.55 5.08 -2.03 -3.35 114.58 120.61 2jx2 h GLU 99 Ca 0.00 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2jx2 h GLU 99 Cb 0.00 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 28.97 2jx2 h GLU 99 CO 0.00 0.51 -0.23 0.43 -1.00 0.00 0.00 179.01 178.72 2jx2 n SER 100 N -4.60 -0.81 -3.84 1.42 7.64 -1.26 -5.13 113.62 107.04 2jx2 n SER 100 Ca 0.19 -1.61 -0.12 0.00 1.01 0.00 0.00 58.87 58.34 2jx2 n SER 100 Cb 0.45 0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.79 2jx2 n SER 100 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jx2 s VAL 101 N 0.00 0.03 0.18 0.44 1.01 -1.26 -5.13 120.40 115.67 2jx2 s VAL 101 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2jx2 s VAL 101 Cb 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 2jx2 s VAL 101 CO -0.00 -0.16 0.44 -1.10 0.00 0.00 0.00 175.10 174.27 2jx2 s GLN 102 N -0.53 3.66 -0.07 2.72 -0.21 -1.26 0.11 119.66 124.08 2jx2 s GLN 102 Ca -0.06 0.00 0.04 0.00 0.02 0.00 0.00 55.36 55.36 2jx2 s GLN 102 Cb -0.04 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 2jx2 s GLN 102 CO 0.01 0.41 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.88 2jx2 s LEU 103 N -2.79 2.37 -0.09 2.90 1.43 -0.93 -4.62 118.68 116.94 2jx2 s LEU 103 Ca 0.43 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2jx2 s LEU 103 Cb -0.12 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2jx2 s LEU 103 CO 0.24 0.25 -0.13 -0.54 0.23 0.00 0.00 176.35 176.40 2jx2 s LYS 104 N -0.16 2.96 -0.03 1.70 1.02 -0.31 -3.91 119.74 121.00 2jx2 s LYS 104 Ca -0.02 -0.67 0.07 0.00 0.02 0.00 0.00 55.97 55.36 2jx2 s LYS 104 Cb -0.14 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2jx2 s LYS 104 CO 0.04 0.43 -0.24 0.08 -0.92 0.00 0.00 175.35 174.74 2jx2 s VAL 105 N -0.21 2.25 0.21 3.17 1.01 -1.26 -0.16 120.40 125.41 2jx2 s VAL 105 Ca 0.01 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2jx2 s VAL 105 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2jx2 s VAL 105 CO 0.03 0.58 0.22 0.59 0.00 0.00 0.00 175.10 176.52 2jx2 n ASN 106 N 2.49 -0.60 -4.81 3.32 3.02 0.29 -4.89 115.26 114.08 2jx2 n ASN 106 Ca -0.16 -2.25 -0.36 0.00 -0.03 0.00 0.00 54.58 51.77 2jx2 n ASN 106 Cb 0.51 1.23 -0.07 0.00 -0.61 0.00 0.00 39.78 40.85 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 -2.75 5.46 0.04 2.41 1.01 -1.26 -0.75 121.20 125.35 2jx2 s ILE 107 Ca 0.21 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.13 2jx2 s ILE 107 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2jx2 s ILE 107 CO 0.15 0.54 -0.18 0.00 0.00 0.00 0.00 174.94 175.45 2jx2 s ALA 108 N -0.42 2.59 -0.27 9.38 0.00 -0.94 -4.61 121.76 127.48 2jx2 s ALA 108 Ca 0.12 -1.18 0.11 0.00 0.00 0.00 0.00 51.96 51.00 2jx2 s ALA 108 Cb -0.12 -0.74 0.55 0.00 0.00 0.00 0.00 23.12 22.81 2jx2 s ALA 108 CO 0.01 0.57 1.52 0.54 0.00 0.00 0.00 175.76 178.41 2jx2 n ARG 109 N 1.59 2.35 -0.21 0.00 1.74 -1.26 -4.52 116.66 116.35 2jx2 n ARG 109 Ca -0.16 -3.06 0.04 0.00 -0.77 0.00 0.00 57.85 53.90 2jx2 n ARG 109 Cb 0.52 -1.89 0.13 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.87 1.94 -3.46 5.56 5.02 -1.26 -4.37 118.16 120.72 2jx2 n LYS 110 Ca 0.33 -1.05 -0.27 0.00 -2.02 0.00 0.00 58.31 55.30 2jx2 n LYS 110 Cb 1.08 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.27 2.43 0.20 1.97 -0.06 -1.26 -4.85 117.38 116.08 2jx2 n GLN 111 Ca 0.09 -4.63 0.14 0.00 -2.00 0.00 0.00 57.00 50.61 2jx2 n GLN 111 Cb 0.37 -2.24 0.52 0.00 -4.06 0.00 0.00 30.24 24.84 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 4.29 0.00 -1.39 3.69 0.13 -1.93 -2.23 132.00 134.56 2jx2 h PRO 112 Ca 0.19 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.73 2jx2 h PRO 112 Cb 0.67 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 2jx2 h PRO 112 CO 0.82 0.00 1.18 1.98 -0.23 0.00 0.00 178.00 181.75 2jx2 h MET 113 N 0.00 0.00 0.00 0.86 1.85 -1.91 -3.18 114.93 112.55 2jx2 h MET 113 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2jx2 h MET 113 Cb 0.56 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.56 2jx2 h MET 113 CO 0.00 0.00 -0.08 -0.11 -0.40 0.00 0.00 176.91 176.32 2jx2 n LEU 114 N -3.72 -0.26 -4.41 3.39 0.00 -1.22 -4.89 117.00 105.89 2jx2 n LEU 114 Ca 0.31 -0.76 -0.39 0.00 0.00 0.00 0.00 56.01 55.18 2jx2 n LEU 114 Cb 1.60 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 44.96 2jx2 n LEU 114 CO 0.35 0.88 -0.18 0.47 0.00 0.00 0.00 177.39 178.91 2jx2 n ASP 115 N 0.00 -1.67 0.00 1.96 8.00 -0.84 -2.25 116.55 121.75 2jx2 n ASP 115 Ca -0.07 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2jx2 n ASP 115 Cb 0.37 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 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 -4.23 0.00 -1.00 2.24 0.00 -1.15 -3.53 120.51 112.84 2jx2 n ALA 116 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jx2 n ALA 116 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2jx2 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jx2 n ALA 117 N 0.01 0.00 0.27 0.00 0.00 -0.95 0.47 120.51 120.30 2jx2 n ALA 117 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2jx2 n ALA 117 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 2jx2 n ALA 117 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2jx2 h THR 118 N 0.00 0.00 -2.76 0.00 1.35 -1.84 -3.43 112.91 106.23 2jx2 h THR 118 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.27 2jx2 h THR 118 Cb 0.00 0.57 0.11 0.00 -1.73 0.00 0.00 68.15 67.11 2jx2 h THR 118 CO 0.00 0.00 0.22 0.61 -0.25 0.00 0.00 175.52 176.10 2jx2 n GLY 119 N -1.23 -0.05 3.33 5.82 0.00 -1.23 -1.81 105.19 110.02 2jx2 n GLY 119 Ca -0.02 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 2jx2 n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jx2 n LYS 120 N 0.60 -6.72 0.00 1.61 5.02 -1.26 -4.81 118.16 112.60 2jx2 n LYS 120 Ca 0.08 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 2jx2 n LYS 120 Cb 0.34 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 2jx2 n LYS 120 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75