#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 3.82 -0.04 0.00 0.04 -1.26 -5.05 135.00 132.50 2jx2 s PRO 36 Ca 0.00 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2jx2 s PRO 36 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2jx2 s PRO 36 CO 0.00 -0.50 -0.12 1.03 0.04 0.00 0.00 177.00 177.45 2jx2 s ARG 37 N -2.63 1.32 0.02 4.56 0.52 -1.26 -5.14 118.95 116.33 2jx2 s ARG 37 Ca 0.62 -0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 55.42 2jx2 s ARG 37 Cb -0.29 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.01 2jx2 s ARG 37 CO 0.35 0.14 0.02 1.63 0.02 0.00 0.00 175.30 177.46 2jx2 n LYS 38 N 3.34 -0.74 0.00 3.54 5.02 -1.26 -4.66 118.16 123.39 2jx2 n LYS 38 Ca -0.19 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 2jx2 n LYS 38 Cb 0.53 -0.03 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 3.09 -0.95 3.67 0.72 0.00 0.56 -4.79 105.19 107.49 2jx2 n GLY 39 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 6.89 0.18 1.61 2.47 0.49 -4.01 114.94 122.57 2jx2 s ASN 40 Ca 0.00 1.86 -0.23 0.00 0.42 0.00 0.00 52.86 54.91 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 -0.77 0.75 -0.89 -3.72 0.00 0.00 177.10 172.47 2jx2 s THR 41 N 3.33 4.45 0.11 -5.21 2.01 -1.25 0.88 115.64 119.96 2jx2 s THR 41 Ca 0.59 1.54 0.10 0.00 0.31 0.00 0.00 61.69 64.24 2jx2 s THR 41 Cb -0.25 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2jx2 s THR 41 CO 0.20 0.41 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.53 2jx2 s LEU 42 N -1.44 2.39 -0.35 4.42 1.02 0.26 -1.92 118.68 123.06 2jx2 s LEU 42 Ca 0.38 -0.67 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 2jx2 s LEU 42 Cb -0.21 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.69 2jx2 s LEU 42 CO 0.24 0.20 0.22 -0.47 0.02 0.00 0.00 176.35 176.55 2jx2 s TYR 43 N -1.02 3.22 -0.08 0.29 5.04 0.14 -2.30 117.35 122.64 2jx2 s TYR 43 Ca 0.14 -0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2jx2 s TYR 43 Cb -0.10 -2.45 -0.03 0.00 0.35 0.00 0.00 41.96 39.73 2jx2 s TYR 43 CO 0.06 -0.48 -0.05 0.08 -1.34 0.00 0.00 175.55 173.82 2jx2 s VAL 44 N 1.65 3.87 -0.03 3.14 1.01 0.12 -0.47 120.40 129.68 2jx2 s VAL 44 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2jx2 s VAL 44 Cb -0.18 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2jx2 s VAL 44 CO 0.08 0.59 -0.06 -0.47 0.00 0.00 0.00 175.10 175.25 2jx2 s TYR 45 N -0.69 0.75 0.00 5.22 5.04 -0.52 0.59 117.35 127.74 2jx2 s TYR 45 Ca 0.11 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 2jx2 s TYR 45 Cb -0.11 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.58 2jx2 s TYR 45 CO 0.02 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.50 2jx2 n GLY 46 N 3.71 0.86 3.53 8.97 0.00 -0.44 -1.67 105.19 120.15 2jx2 n GLY 46 Ca -0.22 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.15 1.90 -1.71 1.61 2.02 -1.26 -4.56 118.70 115.54 2jx2 s GLU 47 Ca 0.00 -1.53 -0.16 0.00 0.02 0.00 0.00 54.97 53.30 2jx2 s GLU 47 Cb 0.00 -1.97 0.15 0.00 0.10 0.00 0.00 34.13 32.41 2jx2 s GLU 47 CO 0.00 0.37 0.60 -3.47 0.02 0.00 0.00 175.26 172.78 2jx2 n ASP 48 N -0.41 -2.02 -4.76 -0.19 2.03 -1.26 -4.85 116.55 105.10 2jx2 n ASP 48 Ca -0.08 -1.12 -0.40 0.00 0.52 0.00 0.00 54.79 53.71 2jx2 n ASP 48 Cb 0.58 -2.29 -0.04 0.00 -0.72 0.00 0.00 41.12 38.65 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 -7.04 4.61 0.25 -0.67 -1.94 -1.26 -5.04 119.30 108.20 2jx2 s MET 49 Ca 0.60 1.83 0.07 0.00 -1.71 0.00 0.00 55.69 56.48 2jx2 s MET 49 Cb -0.34 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.26 2jx2 s MET 49 CO 0.96 0.17 -0.10 0.95 -0.01 0.00 0.00 175.02 176.99 2jx2 s THR 50 N -1.04 1.68 -0.03 2.05 -4.23 -1.26 -5.04 115.64 107.78 2jx2 s THR 50 Ca 0.45 -2.17 -0.26 0.00 -1.18 0.00 0.00 61.69 58.54 2jx2 s THR 50 Cb -0.32 -2.27 -0.20 0.00 1.34 0.00 0.00 72.50 71.05 2jx2 s THR 50 CO 0.41 -0.43 1.21 1.55 -0.54 0.00 0.00 174.62 176.82 2jx2 h PRO 51 N 2.40 -0.05 -0.89 3.99 0.13 -1.98 -1.07 132.00 134.53 2jx2 h PRO 51 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jx2 h PRO 51 Cb 1.23 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2jx2 h PRO 51 CO 0.65 0.44 0.54 1.15 -0.23 0.00 0.00 178.00 180.55 2jx2 h THR 52 N -0.56 1.24 -0.19 1.56 2.02 -1.99 -0.40 112.91 114.60 2jx2 h THR 52 Ca -0.01 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2jx2 h THR 52 Cb 0.51 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2jx2 h THR 52 CO 0.01 0.25 -0.01 0.25 0.37 0.00 0.00 175.52 176.39 2jx2 h LEU 53 N 1.22 0.33 -0.43 2.58 5.85 -1.98 -2.37 115.31 120.52 2jx2 h LEU 53 Ca 0.32 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2jx2 h LEU 53 Cb -0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2jx2 h LEU 53 CO -0.06 0.58 0.23 -0.07 -0.34 0.00 0.00 178.44 178.77 2jx2 h LEU 54 N 0.08 0.35 -1.34 2.25 3.38 -0.84 -1.20 115.31 117.99 2jx2 h LEU 54 Ca 0.05 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2jx2 h LEU 54 Cb 0.41 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2jx2 h LEU 54 CO 0.01 0.25 0.51 0.03 0.09 0.00 0.00 178.44 179.33 2jx2 h ARG 55 N 0.46 0.74 -0.15 1.13 3.08 -0.97 0.29 114.38 118.96 2jx2 h ARG 55 Ca 0.18 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 2jx2 h ARG 55 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2jx2 h ARG 55 CO -0.11 0.49 -0.32 0.78 -1.07 0.00 0.00 179.97 179.74 2jx2 h GLY 56 N 0.76 0.32 2.00 0.04 0.00 -0.70 2.09 103.07 107.58 2jx2 h GLY 56 Ca 0.35 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2jx2 h GLY 56 CO -0.13 0.25 -0.26 0.00 0.00 0.00 0.00 176.54 176.40 2jx2 h ALA 57 N 1.41 0.96 -0.03 3.60 0.00 -0.25 -3.14 119.26 121.81 2jx2 h ALA 57 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jx2 h ALA 57 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jx2 h ALA 57 CO 0.05 0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.81 2jx2 n PHE 58 N -3.34 0.04 0.07 0.00 3.72 -0.74 -4.57 117.46 112.64 2jx2 n PHE 58 Ca 0.01 -0.43 -0.08 0.00 -0.05 0.00 0.00 57.45 56.90 2jx2 n PHE 58 Cb 0.48 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 2jx2 n PHE 58 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jx2 h SER 59 N 0.23 -0.24 0.29 4.37 0.87 0.34 -3.15 113.55 116.27 2jx2 h SER 59 Ca 0.00 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.27 2jx2 h SER 59 Cb 0.46 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2jx2 h SER 59 CO 0.00 0.28 -0.47 1.55 -0.53 0.00 0.00 176.83 177.66 2jx2 h PRO 60 N -1.01 0.21 -0.14 2.24 0.13 -1.81 -2.97 132.00 128.66 2jx2 h PRO 60 Ca -0.03 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 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 0.05 0.64 -0.10 0.74 -0.23 0.00 0.00 178.00 179.10 2jx2 h PHE 61 N 0.17 0.22 0.00 1.56 -1.00 -1.81 -3.47 116.94 112.62 2jx2 h PHE 61 Ca 0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2jx2 h PHE 61 Cb 0.90 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.39 2jx2 h PHE 61 CO 0.01 0.32 0.00 0.41 -1.61 0.00 0.00 178.31 177.44 2jx2 n GLY 62 N -0.98 -1.71 3.84 -1.45 0.00 -1.12 -4.72 105.19 99.05 2jx2 n GLY 62 Ca -0.01 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.32 6.83 -0.16 1.61 0.01 -1.26 -4.23 114.94 116.42 2jx2 s ASN 63 Ca 0.00 1.09 -0.05 0.00 -0.71 0.00 0.00 52.86 53.19 2jx2 s ASN 63 Cb 0.00 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 2jx2 s ASN 63 CO 0.00 0.09 0.00 -0.63 -1.51 0.00 0.00 177.10 175.05 2jx2 s ILE 64 N -1.49 4.27 -0.16 0.60 1.01 -1.26 -3.33 121.20 120.84 2jx2 s ILE 64 Ca 0.39 -0.23 0.20 0.00 0.00 0.00 0.00 60.65 61.01 2jx2 s ILE 64 Cb -0.15 -2.88 -0.11 0.00 0.01 0.00 0.00 42.46 39.33 2jx2 s ILE 64 CO 0.19 0.50 0.84 2.30 0.00 0.00 0.00 174.94 178.77 2jx2 n ILE 65 N 3.34 0.82 -3.53 2.92 -5.35 -0.75 -4.83 119.36 111.97 2jx2 n ILE 65 Ca -0.17 -0.62 -0.11 0.00 -0.27 0.00 0.00 62.75 61.58 2jx2 n ILE 65 Cb 0.53 -0.47 -0.10 0.00 -1.74 0.00 0.00 39.64 37.85 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 -5.44 0.29 -0.32 7.28 2.15 -1.26 -5.01 116.67 114.36 2jx2 s ASP 66 Ca -0.03 0.47 -0.10 0.00 0.43 0.00 0.00 52.55 53.32 2jx2 s ASP 66 Cb 0.10 0.97 -0.00 0.00 -0.30 0.00 0.00 42.92 43.68 2jx2 s ASP 66 CO 0.82 -0.27 0.17 -0.22 -0.17 0.00 0.00 175.17 175.50 2jx2 s LEU 67 N 2.50 4.24 0.12 -1.34 1.98 -1.26 -1.78 118.68 123.15 2jx2 s LEU 67 Ca 0.05 -0.58 0.11 0.00 -2.89 0.00 0.00 54.13 50.82 2jx2 s LEU 67 Cb -0.14 -2.02 -0.04 0.00 0.66 0.00 0.00 46.19 44.65 2jx2 s LEU 67 CO -0.13 -0.23 -0.26 -0.55 -1.89 0.00 0.00 176.35 173.30 2jx2 s SER 68 N 1.62 3.39 0.07 3.68 0.15 -0.17 -5.01 113.70 117.42 2jx2 s SER 68 Ca 0.04 -0.72 0.06 0.00 0.70 0.00 0.00 55.95 56.04 2jx2 s SER 68 Cb -0.17 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 2jx2 s SER 68 CO 0.07 0.18 -0.17 -0.04 1.20 0.00 0.00 173.24 174.48 2jx2 s MET 69 N -2.03 0.97 -0.39 5.44 -1.94 -1.26 -0.05 119.30 120.04 2jx2 s MET 69 Ca 0.14 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 2jx2 s MET 69 Cb -0.10 -1.06 0.12 0.00 2.01 0.00 0.00 34.83 35.79 2jx2 s MET 69 CO 0.06 0.25 0.17 0.34 -0.01 0.00 0.00 175.02 175.83 2jx2 s ASP 70 N -1.65 4.02 0.28 3.03 -1.08 0.40 -4.88 116.67 116.80 2jx2 s ASP 70 Ca 0.02 -2.28 0.13 0.00 -0.52 0.00 0.00 52.55 49.90 2jx2 s ASP 70 Cb -0.10 -1.14 0.33 0.00 -1.46 0.00 0.00 42.92 40.56 2jx2 s ASP 70 CO 0.03 -0.33 1.57 1.55 0.52 0.00 0.00 175.17 178.51 2jx2 h PRO 71 N 7.27 0.00 0.00 4.34 0.13 -1.96 0.67 132.00 142.45 2jx2 h PRO 71 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2jx2 h PRO 71 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 2jx2 h PRO 71 CO 0.51 0.58 -0.11 -1.00 -0.23 0.00 0.00 178.00 177.75 2jx2 h PRO 72 N 0.00 0.00 -0.07 1.56 0.13 -1.93 -3.20 132.00 128.49 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jx2 h PRO 72 CO 0.08 0.11 0.00 0.54 -0.23 0.00 0.00 178.00 178.50 2jx2 n ARG 73 N -3.17 0.94 -3.51 0.86 1.74 -1.22 -4.99 116.66 107.31 2jx2 n ARG 73 Ca 0.02 -1.19 -0.21 0.00 -0.77 0.00 0.00 57.85 55.71 2jx2 n ARG 73 Cb 0.47 -1.12 0.08 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.21 -4.37 -3.76 0.55 3.02 -0.74 -4.90 115.26 105.28 2jx2 n ASN 74 Ca 0.04 -0.57 -0.12 0.00 -0.03 0.00 0.00 54.58 53.90 2jx2 n ASN 74 Cb 0.22 -5.05 -0.08 0.00 -0.61 0.00 0.00 39.78 34.25 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 -2.13 1.85 -0.04 0.00 0.00 0.20 0.15 121.76 121.79 2jx2 s ALA 76 Ca -0.08 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 50.36 2jx2 s ALA 76 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2jx2 s ALA 76 CO -0.01 0.04 -0.24 -0.06 0.00 0.00 0.00 175.76 175.49 2jx2 s PHE 77 N -2.94 2.29 -0.05 0.00 0.08 0.93 0.16 117.98 118.46 2jx2 s PHE 77 Ca 0.20 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.69 2jx2 s PHE 77 Cb -0.01 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2jx2 s PHE 77 CO 0.05 -0.16 -0.18 0.08 -0.10 0.00 0.00 175.22 174.92 2jx2 s VAL 78 N -0.27 1.49 -0.20 -0.44 1.01 -0.97 -1.00 120.40 120.01 2jx2 s VAL 78 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2jx2 s VAL 78 Cb -0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2jx2 s VAL 78 CO 0.02 0.43 0.07 -0.89 0.00 0.00 0.00 175.10 174.73 2jx2 s THR 79 N 0.04 4.71 -0.08 3.92 2.01 -0.73 0.91 115.64 126.42 2jx2 s THR 79 Ca -0.04 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 2jx2 s THR 79 Cb -0.12 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2jx2 s THR 79 CO 0.02 0.42 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.04 2jx2 s TYR 80 N 0.69 3.06 0.55 4.92 2.02 0.25 -1.80 117.35 127.05 2jx2 s TYR 80 Ca 0.04 0.11 0.31 0.00 -0.37 0.00 0.00 57.07 57.16 2jx2 s TYR 80 Cb -0.13 -1.76 1.80 0.00 -0.40 0.00 0.00 41.96 41.47 2jx2 s TYR 80 CO 0.02 0.40 2.22 1.49 -1.57 0.00 0.00 175.55 178.11 2jx2 h GLU 81 N 5.22 0.00 -4.69 -0.62 4.81 -1.86 1.44 114.58 118.88 2jx2 h GLU 81 Ca -0.50 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.39 2jx2 h GLU 81 Cb 1.18 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.31 2jx2 h GLU 81 CO 0.54 0.03 -0.76 0.15 -0.73 0.00 0.00 179.01 178.24 2jx2 s LYS 82 N -4.45 0.62 0.46 1.92 1.02 -1.26 -3.97 119.74 114.08 2jx2 s LYS 82 Ca -0.04 -0.53 0.31 0.00 0.02 0.00 0.00 55.97 55.73 2jx2 s LYS 82 Cb 0.14 -0.54 1.49 0.00 -0.52 0.00 0.00 37.83 38.41 2jx2 s LYS 82 CO 0.54 0.13 1.94 0.52 -0.92 0.00 0.00 175.35 177.57 2jx2 h MET 83 N 5.25 0.00 -0.19 1.68 2.86 -1.92 -2.22 114.93 120.39 2jx2 h MET 83 Ca -0.33 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.17 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 0.45 0.00 -0.45 0.93 1.06 0.00 0.00 176.91 178.90 2jx2 h GLU 84 N 0.00 0.48 -0.02 1.72 5.08 -1.96 -1.92 114.58 117.96 2jx2 h GLU 84 Ca 0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 2jx2 h GLU 84 Cb 0.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2jx2 h GLU 84 CO 0.00 0.84 -0.33 0.77 -1.00 0.00 0.00 179.01 179.29 2jx2 h SER 85 N 0.39 0.04 0.40 1.42 0.02 -1.68 -2.36 113.55 111.78 2jx2 h SER 85 Ca 0.03 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 2jx2 h SER 85 Cb 0.95 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.49 2jx2 h SER 85 CO 0.08 0.38 -1.29 0.00 -1.14 0.00 0.00 176.83 174.86 2jx2 h ALA 86 N 1.63 0.03 -0.25 3.77 0.00 -1.56 -2.29 119.26 120.59 2jx2 h ALA 86 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 2jx2 h ALA 86 Cb 0.61 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jx2 h ALA 86 CO 0.04 0.82 0.13 0.22 0.00 0.00 0.00 179.25 180.47 2jx2 h ASP 87 N 0.15 0.32 -0.51 0.00 3.58 -1.11 1.17 116.42 120.02 2jx2 h ASP 87 Ca -0.18 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.05 2jx2 h ASP 87 Cb 1.98 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 2jx2 h ASP 87 CO 0.23 0.32 -0.18 -0.61 -2.88 0.00 0.00 179.24 176.12 2jx2 h GLN 88 N 0.29 1.02 -0.24 0.28 4.15 -1.52 -0.89 115.11 118.20 2jx2 h GLN 88 Ca 0.09 -0.42 -0.19 0.00 0.77 0.00 0.00 58.65 58.90 2jx2 h GLN 88 Cb 0.08 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2jx2 h GLN 88 CO -0.01 1.10 -0.60 0.00 -1.93 0.00 0.00 178.83 177.39 2jx2 h ALA 89 N 0.89 0.50 -0.29 3.38 0.00 -1.11 -0.08 119.26 122.55 2jx2 h ALA 89 Ca 0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2jx2 h ALA 89 Cb 0.76 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jx2 h ALA 89 CO 0.06 0.69 0.01 0.28 0.00 0.00 0.00 179.25 180.29 2jx2 h VAL 90 N 0.58 1.25 -0.14 0.00 2.07 0.15 1.76 116.25 121.93 2jx2 h VAL 90 Ca -0.00 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 2jx2 h VAL 90 Cb 1.19 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2jx2 h VAL 90 CO 0.13 0.29 -0.53 0.00 0.02 0.00 0.00 177.57 177.47 2jx2 h ALA 91 N 0.84 0.82 0.02 1.67 0.00 -1.16 0.13 119.26 121.58 2jx2 h ALA 91 Ca 0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2jx2 h ALA 91 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jx2 h ALA 91 CO 0.01 0.68 -0.45 1.49 0.00 0.00 0.00 179.25 180.98 2jx2 h GLU 92 N 0.32 0.03 -0.32 0.00 4.22 -0.84 -3.34 114.58 114.64 2jx2 h GLU 92 Ca 0.01 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 2jx2 h GLU 92 Cb 1.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2jx2 h GLU 92 CO 0.09 1.03 -0.12 -0.07 -2.18 0.00 0.00 179.01 177.76 2jx2 h LEU 93 N -0.92 0.54 -9.53 1.64 3.38 0.26 -3.42 115.31 107.26 2jx2 h LEU 93 Ca -0.12 -0.14 -0.53 0.00 0.09 0.00 0.00 57.88 57.18 2jx2 h LEU 93 Cb 1.16 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.78 2jx2 h LEU 93 CO -0.04 0.69 0.63 0.21 0.09 0.00 0.00 178.44 180.03 2jx2 s ASN 94 N -6.76 6.96 0.00 -0.43 2.47 0.47 -3.04 114.94 114.61 2jx2 s ASN 94 Ca -0.08 2.18 0.00 0.00 0.42 0.00 0.00 52.86 55.38 2jx2 s ASN 94 Cb 0.14 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2jx2 s ASN 94 CO 0.79 -0.54 0.00 0.61 -3.72 0.00 0.00 177.10 174.23 2jx2 n GLY 95 N 3.23 0.96 3.32 1.21 0.00 -1.25 -4.84 105.19 107.83 2jx2 n GLY 95 Ca 0.10 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.04 1.95 0.02 2.61 -4.23 -1.17 -5.06 115.64 107.71 2jx2 s THR 96 Ca 0.00 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 2jx2 s THR 96 Cb 0.00 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2jx2 s THR 96 CO 0.00 0.11 -0.23 -1.58 -0.54 0.00 0.00 174.62 172.38 2jx2 s GLN 97 N -1.70 1.99 0.00 3.99 0.74 -1.26 -2.42 119.66 120.99 2jx2 s GLN 97 Ca 0.10 -1.01 0.00 0.00 0.05 0.00 0.00 55.36 54.50 2jx2 s GLN 97 Cb -0.10 -2.08 0.00 0.00 1.10 0.00 0.00 33.01 31.94 2jx2 s GLN 97 CO 0.04 0.54 0.00 0.28 -0.55 0.00 0.00 175.29 175.60 2jx2 n VAL 98 N 1.91 0.00 -0.23 1.34 0.31 0.27 -4.92 118.33 117.01 2jx2 n VAL 98 Ca -0.17 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.22 2jx2 n VAL 98 Cb 0.52 0.00 0.31 0.00 -0.91 0.00 0.00 33.84 33.75 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 0.84 0.00 5.55 5.08 -2.02 -3.37 114.58 120.66 2jx2 h GLU 99 Ca 0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2jx2 h GLU 99 Cb 0.00 -0.19 -0.09 0.00 0.50 0.00 0.00 28.75 28.97 2jx2 h GLU 99 CO 0.00 0.56 -0.20 0.43 -1.00 0.00 0.00 179.01 178.79 2jx2 n SER 100 N -4.48 -0.73 -4.23 1.42 7.64 -1.26 -5.14 113.62 106.83 2jx2 n SER 100 Ca 0.12 -1.45 -0.13 0.00 1.01 0.00 0.00 58.87 58.42 2jx2 n SER 100 Cb 0.21 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.01 0.26 0.05 0.44 1.01 -1.26 -5.12 120.40 115.78 2jx2 s VAL 101 Ca 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 61.98 60.07 2jx2 s VAL 101 Cb 0.02 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2jx2 s VAL 101 CO -0.01 -0.10 -0.19 -1.10 0.00 0.00 0.00 175.10 173.70 2jx2 s GLN 102 N -4.08 2.03 -0.06 2.72 -0.21 -1.26 -0.57 119.66 118.23 2jx2 s GLN 102 Ca 0.35 -1.01 0.05 0.00 0.02 0.00 0.00 55.36 54.78 2jx2 s GLN 102 Cb 0.07 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 2jx2 s GLN 102 CO 0.10 0.53 -0.23 -1.17 -2.12 0.00 0.00 175.29 172.41 2jx2 s LEU 103 N -1.49 2.02 -0.14 2.90 2.96 -1.02 -4.36 118.68 119.56 2jx2 s LEU 103 Ca 0.15 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2jx2 s LEU 103 Cb -0.10 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.33 2jx2 s LEU 103 CO 0.05 0.21 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.57 2jx2 s LYS 104 N -0.07 3.13 -0.03 1.98 1.02 -0.67 -3.80 119.74 121.31 2jx2 s LYS 104 Ca -0.05 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.16 2jx2 s LYS 104 Cb -0.13 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2jx2 s LYS 104 CO 0.04 0.06 -0.06 0.08 -0.92 0.00 0.00 175.35 174.54 2jx2 s VAL 105 N 0.67 3.71 0.00 3.17 1.01 -1.25 -1.44 120.40 126.27 2jx2 s VAL 105 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2jx2 s VAL 105 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2jx2 s VAL 105 CO 0.02 0.49 0.00 0.59 0.00 0.00 0.00 175.10 176.19 2jx2 n ASN 106 N 1.85 0.00 -4.63 3.32 5.03 0.38 -4.79 115.26 116.42 2jx2 n ASN 106 Ca -0.17 -0.82 -0.35 0.00 0.87 0.00 0.00 54.58 54.12 2jx2 n ASN 106 Cb 0.53 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.19 2jx2 n ASN 106 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jx2 s ILE 107 N -2.62 4.49 0.15 2.41 -1.09 -1.26 0.29 121.20 123.56 2jx2 s ILE 107 Ca 0.00 -0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.35 2jx2 s ILE 107 Cb 0.00 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 2jx2 s ILE 107 CO 0.00 0.52 -0.20 0.00 -1.23 0.00 0.00 174.94 174.03 2jx2 s ALA 108 N -0.10 2.03 -0.52 9.38 0.00 -0.81 -4.61 121.76 127.13 2jx2 s ALA 108 Ca 0.05 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2jx2 s ALA 108 Cb -0.12 -0.23 0.58 0.00 0.00 0.00 0.00 23.12 23.35 2jx2 s ALA 108 CO 0.02 0.31 1.96 0.54 0.00 0.00 0.00 175.76 178.59 2jx2 n ARG 109 N 0.57 2.39 0.00 0.00 1.74 -1.26 -4.14 116.66 115.95 2jx2 n ARG 109 Ca -0.15 -3.08 0.09 0.00 -0.77 0.00 0.00 57.85 53.94 2jx2 n ARG 109 Cb 0.56 -2.21 0.41 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.04 0.10 -3.47 5.56 4.81 -1.26 -3.76 118.16 119.09 2jx2 n LYS 110 Ca 0.60 0.16 -0.27 0.00 -0.87 0.00 0.00 58.31 57.94 2jx2 n LYS 110 Cb 1.30 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.76 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 -1.42 2.17 0.16 1.64 -0.06 -1.26 -4.86 117.38 113.74 2jx2 n GLN 111 Ca 0.06 -4.45 0.12 0.00 -2.00 0.00 0.00 57.00 50.73 2jx2 n GLN 111 Cb 0.19 -2.13 0.19 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 4.37 0.00 -1.19 3.69 0.13 -1.93 -2.11 132.00 134.96 2jx2 h PRO 112 Ca 0.18 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.71 2jx2 h PRO 112 Cb 0.71 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.70 2jx2 h PRO 112 CO 0.77 0.00 0.73 0.00 -0.23 0.00 0.00 178.00 179.27 2jx2 h MET 113 N 0.00 0.12 0.00 0.86 -0.00 -1.93 -0.80 114.93 113.18 2jx2 h MET 113 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.70 59.61 2jx2 h MET 113 Cb 0.92 -0.03 -0.18 0.00 -0.00 0.00 0.00 31.60 32.31 2jx2 h MET 113 CO 0.00 0.08 -0.70 -0.11 -0.00 0.00 0.00 176.91 176.18 2jx2 n LEU 114 N -4.86 1.19 -4.10 -0.10 0.00 -1.26 -4.98 117.00 102.89 2jx2 n LEU 114 Ca 0.36 -2.20 -0.30 0.00 0.00 0.00 0.00 56.01 53.86 2jx2 n LEU 114 Cb 1.30 -0.14 -0.03 0.00 0.00 0.00 0.00 43.42 44.55 2jx2 n LEU 114 CO 0.15 0.62 -0.16 0.47 0.00 0.00 0.00 177.39 178.47 2jx2 n ASP 115 N -0.11 -1.54 0.00 1.96 8.00 -0.31 -3.34 116.55 121.21 2jx2 n ASP 115 Ca 0.08 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.55 2jx2 n ASP 115 Cb 0.90 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 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 -4.42 0.00 -1.89 2.24 0.00 -0.80 -2.48 120.51 113.16 2jx2 n ALA 116 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2jx2 n ALA 116 Cb 0.60 0.00 -0.03 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 n ALA 117 N 1.88 2.29 0.05 0.00 0.00 -1.21 0.21 120.51 123.73 2jx2 n ALA 117 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 2jx2 n ALA 117 Cb 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 19.45 19.41 2jx2 n ALA 117 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jx2 h THR 118 N 4.33 1.36 -0.12 0.00 2.02 -1.63 -3.48 112.91 115.40 2jx2 h THR 118 Ca -0.21 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2jx2 h THR 118 Cb 1.04 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2jx2 h THR 118 CO -0.10 0.57 0.00 0.61 0.37 0.00 0.00 175.52 176.97 2jx2 n GLY 119 N 0.26 -2.03 3.41 2.16 0.00 -1.26 -4.96 105.19 102.78 2jx2 n GLY 119 Ca -0.03 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.11 -6.91 -0.42 1.61 5.02 -1.26 -5.03 118.16 111.05 2jx2 n LYS 120 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 2jx2 n LYS 120 Cb 0.00 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.26 2jx2 n LYS 120 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33