#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx2 n PRO 36 N 0.00 0.17 -4.49 0.00 -0.04 -1.26 -4.62 135.00 124.77 2jx2 n PRO 36 Ca 0.00 0.40 -0.24 0.00 -0.04 0.00 0.00 63.50 63.63 2jx2 n PRO 36 Cb 0.00 -1.83 -0.17 0.00 -0.04 0.00 0.00 33.50 31.46 2jx2 n PRO 36 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jx2 s ARG 37 N -3.28 1.52 0.00 0.54 0.52 -1.26 -5.14 118.95 111.84 2jx2 s ARG 37 Ca 0.04 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2jx2 s ARG 37 Cb 0.09 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.27 2jx2 s ARG 37 CO 0.38 0.00 0.00 1.63 0.02 0.00 0.00 175.30 177.33 2jx2 n LYS 38 N 3.88 1.80 0.00 3.54 5.02 -1.26 -4.70 118.16 126.43 2jx2 n LYS 38 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2jx2 n LYS 38 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 5.00 0.33 3.66 0.72 0.00 0.41 -4.77 105.19 110.53 2jx2 n GLY 39 Ca 0.00 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 6.92 0.22 1.61 3.84 0.50 -3.55 114.94 124.47 2jx2 s ASN 40 Ca 0.00 1.14 -0.27 0.00 0.21 0.00 0.00 52.86 53.94 2jx2 s ASN 40 Cb 0.00 -2.46 -0.09 0.00 -0.55 0.00 0.00 41.25 38.16 2jx2 s ASN 40 CO 0.00 -0.49 0.86 -0.89 -2.79 0.00 0.00 177.10 173.80 2jx2 s THR 41 N 2.60 4.23 0.01 -5.21 2.01 -1.24 0.26 115.64 118.30 2jx2 s THR 41 Ca 0.37 1.87 0.07 0.00 0.31 0.00 0.00 61.69 64.32 2jx2 s THR 41 Cb -0.16 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2jx2 s THR 41 CO 0.09 0.47 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.51 2jx2 s LEU 42 N -1.28 2.34 -0.41 4.42 1.02 0.21 -2.35 118.68 122.64 2jx2 s LEU 42 Ca 0.40 -0.45 -0.15 0.00 0.02 0.00 0.00 54.13 53.94 2jx2 s LEU 42 Cb -0.24 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.59 2jx2 s LEU 42 CO 0.28 0.29 0.31 -0.47 0.02 0.00 0.00 176.35 176.79 2jx2 s TYR 43 N -0.77 3.23 -0.03 0.29 6.14 0.16 -2.35 117.35 124.03 2jx2 s TYR 43 Ca 0.12 -0.58 0.00 0.00 0.64 0.00 0.00 57.07 57.25 2jx2 s TYR 43 Cb -0.10 -2.62 -0.04 0.00 0.42 0.00 0.00 41.96 39.62 2jx2 s TYR 43 CO 0.02 -0.60 0.01 0.08 0.64 0.00 0.00 175.55 175.69 2jx2 s VAL 44 N 1.71 4.23 -0.03 3.14 1.01 -0.04 0.62 120.40 131.05 2jx2 s VAL 44 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2jx2 s VAL 44 Cb -0.19 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2jx2 s VAL 44 CO 0.10 0.45 -0.09 -0.47 0.00 0.00 0.00 175.10 175.09 2jx2 s TYR 45 N -1.03 0.92 -0.52 5.22 5.04 -0.42 -0.91 117.35 125.64 2jx2 s TYR 45 Ca 0.18 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 2jx2 s TYR 45 Cb -0.11 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.53 2jx2 s TYR 45 CO 0.08 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.59 2jx2 n GLY 46 N 3.34 -1.27 3.59 8.97 0.00 -1.09 -1.85 105.19 116.88 2jx2 n GLY 46 Ca -0.19 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.13 2.10 -1.47 1.61 2.02 -1.26 -4.67 118.70 115.90 2jx2 s GLU 47 Ca 0.00 -1.45 -0.01 0.00 0.02 0.00 0.00 54.97 53.52 2jx2 s GLU 47 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.16 2jx2 s GLU 47 CO 0.00 0.38 0.23 -0.25 0.02 0.00 0.00 175.26 175.63 2jx2 n ASP 48 N -0.59 0.13 -4.80 -0.19 8.00 -1.26 -4.91 116.55 112.93 2jx2 n ASP 48 Ca -0.07 -1.15 -0.36 0.00 0.71 0.00 0.00 54.79 53.92 2jx2 n ASP 48 Cb 0.58 -2.31 -0.07 0.00 -0.02 0.00 0.00 41.12 39.30 2jx2 n ASP 48 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jx2 s MET 49 N -6.97 3.75 0.33 -1.24 -1.94 -1.26 -5.10 119.30 106.86 2jx2 s MET 49 Ca 0.02 -0.18 0.08 0.00 -1.71 0.00 0.00 55.69 53.89 2jx2 s MET 49 Cb -0.01 -3.27 -0.06 0.00 2.01 0.00 0.00 34.83 33.50 2jx2 s MET 49 CO 0.94 0.56 -0.05 0.95 -0.01 0.00 0.00 175.02 177.41 2jx2 s THR 50 N -0.41 1.91 -0.03 2.05 -4.23 -1.26 -5.07 115.64 108.60 2jx2 s THR 50 Ca 0.12 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 2jx2 s THR 50 Cb -0.12 -2.64 -0.19 0.00 1.34 0.00 0.00 72.50 70.89 2jx2 s THR 50 CO 0.01 -0.19 1.16 1.55 -0.54 0.00 0.00 174.62 176.62 2jx2 h PRO 51 N 2.08 -0.11 -0.60 3.99 0.13 -1.99 -2.58 132.00 132.93 2jx2 h PRO 51 Ca -0.41 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.85 2jx2 h PRO 51 Cb 1.24 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 2jx2 h PRO 51 CO 0.71 0.36 -0.03 1.15 -0.23 0.00 0.00 178.00 179.95 2jx2 h THR 52 N -0.62 0.48 -0.24 1.56 2.02 -1.99 0.18 112.91 114.30 2jx2 h THR 52 Ca -0.01 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2jx2 h THR 52 Cb 0.51 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2jx2 h THR 52 CO 0.02 0.02 0.14 0.25 0.37 0.00 0.00 175.52 176.32 2jx2 h LEU 53 N 0.09 0.23 -0.55 2.58 5.85 -1.99 -2.31 115.31 119.21 2jx2 h LEU 53 Ca 0.31 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.09 2jx2 h LEU 53 Cb 0.49 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2jx2 h LEU 53 CO -0.53 0.17 0.26 -0.07 -0.34 0.00 0.00 178.44 177.92 2jx2 h LEU 54 N 0.29 0.33 -0.88 2.25 3.38 -0.59 -0.65 115.31 119.45 2jx2 h LEU 54 Ca 0.09 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.26 2jx2 h LEU 54 Cb -0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 2jx2 h LEU 54 CO -0.04 0.22 0.46 0.03 0.09 0.00 0.00 178.44 179.20 2jx2 h ARG 55 N 0.48 0.61 0.00 1.13 3.08 -0.20 0.50 114.38 119.98 2jx2 h ARG 55 Ca 0.26 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 2jx2 h ARG 55 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2jx2 h ARG 55 CO -0.21 0.40 -0.49 0.78 -1.07 0.00 0.00 179.97 179.38 2jx2 h GLY 56 N 0.63 0.00 2.00 0.04 0.00 -0.77 2.05 103.07 107.02 2jx2 h GLY 56 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.76 2jx2 h GLY 56 CO -0.38 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 175.89 2jx2 h ALA 57 N 1.51 0.83 -0.01 3.60 0.00 0.10 -3.27 119.26 122.01 2jx2 h ALA 57 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jx2 h ALA 57 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jx2 h ALA 57 CO 0.06 0.34 0.00 1.19 0.00 0.00 0.00 179.25 180.85 2jx2 n PHE 58 N -3.18 0.02 0.11 0.00 3.01 0.13 -4.58 117.46 112.97 2jx2 n PHE 58 Ca 0.03 -0.38 -0.09 0.00 1.01 0.00 0.00 57.45 58.01 2jx2 n PHE 58 Cb 0.63 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 2jx2 n PHE 58 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jx2 h SER 59 N 0.11 -0.30 0.44 4.37 0.87 0.33 -3.10 113.55 116.26 2jx2 h SER 59 Ca 0.00 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.28 2jx2 h SER 59 Cb 0.39 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2jx2 h SER 59 CO 0.00 0.20 -0.47 1.55 -0.53 0.00 0.00 176.83 177.57 2jx2 h PRO 60 N -0.99 0.04 -0.33 2.24 0.13 -1.80 -2.97 132.00 128.33 2jx2 h PRO 60 Ca -0.04 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2jx2 h PRO 60 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2jx2 h PRO 60 CO 0.06 0.51 -0.02 0.74 -0.23 0.00 0.00 178.00 179.05 2jx2 h PHE 61 N 0.04 0.53 0.00 1.56 -1.00 -1.81 -3.48 116.94 112.78 2jx2 h PHE 61 Ca -0.00 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2jx2 h PHE 61 Cb 0.85 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.26 2jx2 h PHE 61 CO 0.00 0.54 0.00 0.41 -1.61 0.00 0.00 178.31 177.65 2jx2 n GLY 62 N -0.84 -1.42 3.84 -1.45 0.00 -1.12 -4.72 105.19 99.48 2jx2 n GLY 62 Ca 0.01 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.63 6.66 -0.15 1.61 2.47 -1.26 -4.27 114.94 117.36 2jx2 s ASN 63 Ca 0.00 0.78 -0.07 0.00 0.42 0.00 0.00 52.86 53.99 2jx2 s ASN 63 Cb 0.00 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.57 2jx2 s ASN 63 CO 0.00 0.34 0.10 -0.63 -3.72 0.00 0.00 177.10 173.19 2jx2 s ILE 64 N -0.96 5.14 -0.10 -5.21 1.01 -1.26 -3.21 121.20 116.61 2jx2 s ILE 64 Ca 0.21 0.08 0.20 0.00 0.00 0.00 0.00 60.65 61.14 2jx2 s ILE 64 Cb -0.15 -3.28 -0.26 0.00 0.01 0.00 0.00 42.46 38.79 2jx2 s ILE 64 CO 0.10 0.53 0.48 2.30 0.00 0.00 0.00 174.94 178.36 2jx2 n ILE 65 N 2.77 0.54 -3.70 2.92 -5.35 -1.07 -4.92 119.36 110.57 2jx2 n ILE 65 Ca -0.18 -0.61 -0.11 0.00 -0.27 0.00 0.00 62.75 61.57 2jx2 n ILE 65 Cb 0.53 -0.24 -0.12 0.00 -1.74 0.00 0.00 39.64 38.08 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 -5.00 -0.24 -0.25 7.28 2.15 -1.26 -5.04 116.67 114.32 2jx2 s ASP 66 Ca -0.07 0.72 -0.04 0.00 0.43 0.00 0.00 52.55 53.60 2jx2 s ASP 66 Cb 0.11 0.71 0.01 0.00 -0.30 0.00 0.00 42.92 43.45 2jx2 s ASP 66 CO 0.87 -0.20 -0.02 -0.22 -0.17 0.00 0.00 175.17 175.43 2jx2 s LEU 67 N 1.70 3.22 0.06 -1.34 2.96 -1.26 -1.97 118.68 122.05 2jx2 s LEU 67 Ca -0.06 -0.64 0.08 0.00 -0.22 0.00 0.00 54.13 53.29 2jx2 s LEU 67 Cb -0.10 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2jx2 s LEU 67 CO -0.11 -0.10 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.16 2jx2 s SER 68 N 1.43 2.69 0.06 3.68 0.01 -0.38 -5.01 113.70 116.18 2jx2 s SER 68 Ca 0.03 -0.57 0.05 0.00 1.31 0.00 0.00 55.95 56.77 2jx2 s SER 68 Cb -0.16 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 2jx2 s SER 68 CO -0.02 0.17 -0.13 -0.04 0.41 0.00 0.00 173.24 173.63 2jx2 s MET 69 N -1.32 0.78 -0.29 12.44 -1.94 -1.26 0.15 119.30 127.85 2jx2 s MET 69 Ca 0.09 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 2jx2 s MET 69 Cb -0.09 -0.75 0.08 0.00 2.01 0.00 0.00 34.83 36.08 2jx2 s MET 69 CO 0.02 0.16 -0.00 0.34 -0.01 0.00 0.00 175.02 175.54 2jx2 s ASP 70 N -1.66 4.34 0.29 3.03 2.15 0.19 -4.90 116.67 120.11 2jx2 s ASP 70 Ca -0.03 -1.66 0.14 0.00 0.43 0.00 0.00 52.55 51.43 2jx2 s ASP 70 Cb -0.10 -1.37 0.33 0.00 -0.30 0.00 0.00 42.92 41.48 2jx2 s ASP 70 CO 0.02 -0.31 1.57 1.55 -0.17 0.00 0.00 175.17 177.83 2jx2 h PRO 71 N 7.81 0.00 -0.02 4.34 0.13 -1.96 -0.89 132.00 141.41 2jx2 h PRO 71 Ca -0.12 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.47 0.57 -0.83 -1.00 -0.23 0.00 0.00 178.00 176.99 2jx2 h PRO 72 N 0.00 0.24 -0.02 1.56 0.13 -1.94 -3.24 132.00 128.73 2jx2 h PRO 72 Ca -0.01 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jx2 h PRO 72 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jx2 h PRO 72 CO 0.07 0.94 -0.18 -2.13 -0.23 0.00 0.00 178.00 176.47 2jx2 n ARG 73 N -3.72 1.63 -3.49 0.86 0.63 -1.24 -4.97 116.66 106.36 2jx2 n ARG 73 Ca -0.04 -1.31 -0.21 0.00 -0.92 0.00 0.00 57.85 55.37 2jx2 n ARG 73 Cb 0.77 -1.36 0.07 0.00 0.45 0.00 0.00 32.46 32.39 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 0.56 -5.84 -3.93 6.15 3.02 -0.49 -4.93 115.26 109.79 2jx2 n ASN 74 Ca 0.10 -0.49 -0.16 0.00 -0.03 0.00 0.00 54.58 53.99 2jx2 n ASN 74 Cb 0.44 -4.62 -0.15 0.00 -0.61 0.00 0.00 39.78 34.85 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 0.15 3.46 -0.08 0.00 0.00 -0.09 0.57 121.76 125.77 2jx2 s ALA 76 Ca -0.01 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2jx2 s ALA 76 Cb -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2jx2 s ALA 76 CO -0.00 0.38 -0.20 -0.06 0.00 0.00 0.00 175.76 175.89 2jx2 s PHE 77 N -1.95 2.10 -0.06 0.00 0.08 0.38 -0.86 117.98 117.68 2jx2 s PHE 77 Ca 0.31 -0.79 0.06 0.00 0.12 0.00 0.00 56.93 56.63 2jx2 s PHE 77 Cb -0.09 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2jx2 s PHE 77 CO 0.23 -0.32 -0.24 0.08 -0.10 0.00 0.00 175.22 174.86 2jx2 s VAL 78 N 0.35 2.01 -0.19 -0.44 1.01 -0.99 -1.25 120.40 120.91 2jx2 s VAL 78 Ca -0.14 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 2jx2 s VAL 78 Cb -0.16 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2jx2 s VAL 78 CO 0.06 0.56 0.07 -0.89 0.00 0.00 0.00 175.10 174.90 2jx2 s THR 79 N -0.07 4.82 -0.08 3.92 2.01 -0.83 0.67 115.64 126.07 2jx2 s THR 79 Ca -0.06 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.93 2jx2 s THR 79 Cb -0.14 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2jx2 s THR 79 CO 0.04 0.45 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.01 2jx2 s TYR 80 N 0.45 2.85 0.56 4.92 2.02 0.14 -2.58 117.35 125.71 2jx2 s TYR 80 Ca 0.04 -0.18 0.25 0.00 -0.37 0.00 0.00 57.07 56.80 2jx2 s TYR 80 Cb -0.12 -1.74 1.53 0.00 -0.40 0.00 0.00 41.96 41.23 2jx2 s TYR 80 CO 0.00 0.15 2.12 1.49 -1.57 0.00 0.00 175.55 177.74 2jx2 h GLU 81 N 5.69 0.00 -4.97 -0.62 4.81 -1.85 1.47 114.58 119.11 2jx2 h GLU 81 Ca -0.42 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.43 2jx2 h GLU 81 Cb 1.18 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.32 2jx2 h GLU 81 CO 0.53 0.00 -0.77 0.15 -0.73 0.00 0.00 179.01 178.19 2jx2 s LYS 82 N -4.82 0.74 0.61 1.92 1.02 -1.26 -3.82 119.74 114.12 2jx2 s LYS 82 Ca -0.05 -0.70 0.39 0.00 0.02 0.00 0.00 55.97 55.63 2jx2 s LYS 82 Cb 0.17 -0.68 1.92 0.00 -0.52 0.00 0.00 37.83 38.72 2jx2 s LYS 82 CO 0.62 0.16 2.19 0.52 -0.92 0.00 0.00 175.35 177.91 2jx2 h MET 83 N 4.89 0.00 -0.34 1.68 2.86 -1.89 -2.13 114.93 120.00 2jx2 h MET 83 Ca -0.36 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.16 2jx2 h MET 83 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2jx2 h MET 83 CO 0.43 0.01 -0.28 0.93 1.06 0.00 0.00 176.91 179.06 2jx2 h GLU 84 N 0.00 0.71 -0.40 1.72 5.08 -1.95 -2.28 114.58 117.46 2jx2 h GLU 84 Ca -0.00 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2jx2 h GLU 84 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jx2 h GLU 84 CO 0.00 0.91 0.18 0.77 -1.00 0.00 0.00 179.01 179.87 2jx2 h SER 85 N 0.61 0.49 0.77 1.42 0.02 -1.67 -1.63 113.55 113.57 2jx2 h SER 85 Ca 0.08 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.81 2jx2 h SER 85 Cb 0.78 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2jx2 h SER 85 CO 0.06 0.43 -0.83 0.00 -1.14 0.00 0.00 176.83 175.36 2jx2 h ALA 86 N 1.65 0.63 -0.04 3.77 0.00 -1.55 -2.52 119.26 121.21 2jx2 h ALA 86 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2jx2 h ALA 86 Cb 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jx2 h ALA 86 CO -0.02 1.00 0.01 0.22 0.00 0.00 0.00 179.25 180.46 2jx2 h ASP 87 N 0.02 0.05 -0.47 0.00 3.58 -0.74 1.44 116.42 120.30 2jx2 h ASP 87 Ca -0.01 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.15 2jx2 h ASP 87 Cb 1.45 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.47 2jx2 h ASP 87 CO 0.11 0.22 -0.09 -0.61 -2.88 0.00 0.00 179.24 175.99 2jx2 h GLN 88 N -0.12 0.93 -0.00 0.28 4.15 -1.50 0.23 115.11 119.08 2jx2 h GLN 88 Ca 0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 2jx2 h GLN 88 Cb 0.19 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2jx2 h GLN 88 CO -0.00 0.98 -0.03 0.00 -1.93 0.00 0.00 178.83 177.85 2jx2 h ALA 89 N 1.05 0.01 -0.56 3.38 0.00 -1.26 0.41 119.26 122.28 2jx2 h ALA 89 Ca 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2jx2 h ALA 89 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jx2 h ALA 89 CO 0.04 -0.12 0.18 0.28 0.00 0.00 0.00 179.25 179.63 2jx2 h VAL 90 N -0.67 1.22 0.20 0.00 2.07 0.20 1.96 116.25 121.23 2jx2 h VAL 90 Ca -0.00 -0.75 -0.31 0.00 0.82 0.00 0.00 66.70 66.46 2jx2 h VAL 90 Cb 0.73 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2jx2 h VAL 90 CO 0.01 0.29 -1.39 0.00 0.02 0.00 0.00 177.57 176.49 2jx2 h ALA 91 N 1.37 -0.05 0.03 1.67 0.00 -0.57 -2.27 119.26 119.44 2jx2 h ALA 91 Ca 0.19 -0.88 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2jx2 h ALA 91 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jx2 h ALA 91 CO -0.01 0.82 -0.60 1.49 0.00 0.00 0.00 179.25 180.95 2jx2 h GLU 92 N 0.12 0.06 -0.71 0.00 4.81 0.06 -3.35 114.58 115.55 2jx2 h GLU 92 Ca -0.21 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 2jx2 h GLU 92 Cb 2.09 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.48 2jx2 h GLU 92 CO 0.25 1.05 0.21 -0.07 -0.73 0.00 0.00 179.01 179.71 2jx2 h LEU 93 N -0.86 1.05 -9.44 1.64 3.38 0.30 -3.42 115.31 107.95 2jx2 h LEU 93 Ca -0.15 -0.21 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 2jx2 h LEU 93 Cb 1.23 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.73 2jx2 h LEU 93 CO -0.04 0.98 1.05 0.21 0.09 0.00 0.00 178.44 180.74 2jx2 s ASN 94 N -6.38 6.55 0.00 -0.43 2.47 -0.85 -2.36 114.94 113.94 2jx2 s ASN 94 Ca -0.12 2.55 0.00 0.00 0.42 0.00 0.00 52.86 55.70 2jx2 s ASN 94 Cb 0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 2jx2 s ASN 94 CO 0.84 -0.93 0.00 0.61 -3.72 0.00 0.00 177.10 173.90 2jx2 n GLY 95 N 4.11 1.34 3.43 1.21 0.00 -1.25 -4.86 105.19 109.17 2jx2 n GLY 95 Ca 0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 2.29 0.10 2.61 -4.23 -1.00 -5.06 115.64 108.35 2jx2 s THR 96 Ca 0.00 -2.26 0.09 0.00 -1.18 0.00 0.00 61.69 58.34 2jx2 s THR 96 Cb 0.00 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2jx2 s THR 96 CO 0.00 -0.36 -0.24 -1.58 -0.54 0.00 0.00 174.62 171.90 2jx2 s GLN 97 N -3.29 1.32 0.00 3.99 0.74 -1.26 -2.20 119.66 118.95 2jx2 s GLN 97 Ca 0.26 -1.20 0.00 0.00 0.05 0.00 0.00 55.36 54.46 2jx2 s GLN 97 Cb -0.05 -1.65 0.00 0.00 1.10 0.00 0.00 33.01 32.41 2jx2 s GLN 97 CO 0.12 0.39 0.00 0.28 -0.55 0.00 0.00 175.29 175.53 2jx2 n VAL 98 N 1.17 0.00 -0.32 1.34 0.31 0.21 -4.94 118.33 116.09 2jx2 n VAL 98 Ca -0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.11 2jx2 n VAL 98 Cb 0.53 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.54 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 1.20 -0.00 5.55 5.08 -2.03 -3.38 114.58 121.01 2jx2 h GLU 99 Ca 0.00 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 2jx2 h GLU 99 Cb 0.00 -0.24 -0.14 0.00 0.50 0.00 0.00 28.75 28.86 2jx2 h GLU 99 CO 0.00 0.86 -0.31 0.45 -1.00 0.00 0.00 179.01 179.01 2jx2 n SER 100 N -4.38 -1.00 -3.79 1.42 2.88 -1.26 -5.13 113.62 102.36 2jx2 n SER 100 Ca 0.09 -2.03 -0.11 0.00 -1.33 0.00 0.00 58.87 55.49 2jx2 n SER 100 Cb 0.08 0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.13 2.46 1.01 -1.26 -5.14 120.40 117.44 2jx2 s VAL 101 Ca 0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2jx2 s VAL 101 Cb 0.08 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2jx2 s VAL 101 CO -0.02 -0.41 0.12 -1.10 0.00 0.00 0.00 175.10 173.68 2jx2 s GLN 102 N -2.53 3.47 -0.11 2.72 -0.21 -1.26 0.65 119.66 122.40 2jx2 s GLN 102 Ca -0.05 -0.18 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 2jx2 s GLN 102 Cb -0.01 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 2jx2 s GLN 102 CO -0.03 0.71 0.01 -0.51 -2.12 0.00 0.00 175.29 173.34 2jx2 s LEU 103 N -0.83 3.59 0.04 2.90 1.43 -0.94 -4.66 118.68 120.22 2jx2 s LEU 103 Ca 0.14 0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.43 2jx2 s LEU 103 Cb -0.12 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2jx2 s LEU 103 CO 0.03 0.32 -0.24 -0.54 0.23 0.00 0.00 176.35 176.15 2jx2 s LYS 104 N -0.51 1.88 0.08 1.70 1.02 -0.77 -3.85 119.74 119.29 2jx2 s LYS 104 Ca 0.09 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 55.07 2jx2 s LYS 104 Cb -0.12 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 2jx2 s LYS 104 CO 0.02 0.52 -0.16 0.08 -0.92 0.00 0.00 175.35 174.89 2jx2 s VAL 105 N -0.84 1.27 0.00 3.17 1.01 -1.26 -1.30 120.40 122.45 2jx2 s VAL 105 Ca 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2jx2 s VAL 105 Cb -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2jx2 s VAL 105 CO 0.03 -0.20 0.00 0.59 0.00 0.00 0.00 175.10 175.52 2jx2 n ASN 106 N 1.17 0.00 -4.52 3.32 3.02 0.20 -4.86 115.26 113.60 2jx2 n ASN 106 Ca -0.20 -0.75 -0.33 0.00 -0.03 0.00 0.00 54.58 53.26 2jx2 n ASN 106 Cb 0.54 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.80 3.47 0.08 2.41 1.01 -1.26 -0.67 121.20 123.43 2jx2 s ILE 107 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2jx2 s ILE 107 Cb 0.00 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2jx2 s ILE 107 CO 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 174.94 175.42 2jx2 s ALA 108 N -0.52 0.99 -0.51 9.38 0.00 -0.99 -4.55 121.76 125.56 2jx2 s ALA 108 Ca 0.07 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2jx2 s ALA 108 Cb -0.12 0.02 0.60 0.00 0.00 0.00 0.00 23.12 23.62 2jx2 s ALA 108 CO 0.02 -0.00 1.95 0.54 0.00 0.00 0.00 175.76 178.26 2jx2 n ARG 109 N 0.88 2.37 0.00 0.00 1.74 -1.26 -4.13 116.66 116.26 2jx2 n ARG 109 Ca -0.18 -3.07 0.07 0.00 -0.77 0.00 0.00 57.85 53.90 2jx2 n ARG 109 Cb 0.56 -2.20 0.30 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.06 0.03 -3.48 5.56 4.81 -1.26 -3.63 118.16 119.12 2jx2 n LYS 110 Ca 0.60 0.25 -0.27 0.00 -0.87 0.00 0.00 58.31 58.02 2jx2 n LYS 110 Cb 1.36 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.83 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 -1.46 2.07 0.15 1.64 -0.06 -1.26 -4.86 117.38 113.59 2jx2 n GLN 111 Ca 0.04 -4.39 0.12 0.00 -2.00 0.00 0.00 57.00 50.77 2jx2 n GLN 111 Cb 0.15 -2.10 0.21 0.00 -4.06 0.00 0.00 30.24 24.43 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 4.45 0.00 -1.57 3.69 0.13 -1.91 -3.07 132.00 133.71 2jx2 h PRO 112 Ca 0.18 0.00 0.46 0.00 -0.87 0.00 0.00 66.00 65.76 2jx2 h PRO 112 Cb 0.72 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 2jx2 h PRO 112 CO 0.75 0.00 1.18 0.00 -0.23 0.00 0.00 178.00 179.70 2jx2 h MET 113 N 0.00 0.00 0.00 0.86 -0.00 -1.93 -1.92 114.93 111.94 2jx2 h MET 113 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2jx2 h MET 113 Cb 0.90 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.41 2jx2 h MET 113 CO 0.00 0.00 -0.42 -0.11 -0.00 0.00 0.00 176.91 176.38 2jx2 n LEU 114 N -3.94 0.05 -3.90 -0.10 -0.00 -1.25 -4.61 117.00 103.24 2jx2 n LEU 114 Ca 0.35 -1.30 -0.30 0.00 -0.00 0.00 0.00 56.01 54.76 2jx2 n LEU 114 Cb 1.67 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 45.05 2jx2 n LEU 114 CO 0.41 0.67 -0.09 0.47 -0.00 0.00 0.00 177.39 178.85 2jx2 n ASP 115 N 0.09 -2.25 0.00 1.96 8.00 -0.72 -2.57 116.55 121.06 2jx2 n ASP 115 Ca -0.02 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.75 2jx2 n ASP 115 Cb 0.72 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 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 -3.72 0.00 -2.70 2.24 0.00 -1.17 -3.90 120.51 111.26 2jx2 n ALA 116 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 2jx2 n ALA 116 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 0.04 -2.58 -2.77 0.00 0.00 -1.06 -0.44 120.51 113.69 2jx2 n ALA 117 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 53.44 52.39 2jx2 n ALA 117 Cb 0.00 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 16.87 2jx2 n ALA 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jx2 s THR 118 N 0.32 1.55 0.95 0.00 2.01 -1.24 -4.95 115.64 114.28 2jx2 s THR 118 Ca 0.27 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 2jx2 s THR 118 Cb 0.23 -1.32 0.21 0.00 0.01 0.00 0.00 72.50 71.63 2jx2 s THR 118 CO -0.15 0.44 1.30 -0.83 -0.69 0.00 0.00 174.62 174.69 2jx2 s GLY 119 N -0.11 1.81 0.36 4.40 0.00 -1.26 -4.93 107.32 107.58 2jx2 s GLY 119 Ca -0.01 -1.39 0.07 0.00 0.00 0.00 0.00 44.72 43.39 2jx2 s GLY 119 CO 0.02 -0.60 1.93 1.70 0.00 0.00 0.00 173.10 176.15 2jx2 h LYS 120 N -1.57 0.72 0.00 2.90 3.64 -2.03 -3.53 116.57 116.70 2jx2 h LYS 120 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2jx2 h LYS 120 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2jx2 h LYS 120 CO 0.34 0.48 0.00 0.45 -2.27 0.00 0.00 179.45 178.44