#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl n ASP 2 N 0.00 0.56 0.21 6.12 9.92 -1.26 -4.80 116.55 127.30 2jxl n ASP 2 Ca 0.00 0.57 0.08 0.00 -0.53 0.00 0.00 54.79 54.91 2jxl n ASP 2 Cb 0.00 -1.45 0.44 0.00 -0.64 0.00 0.00 41.12 39.47 2jxl n ASP 2 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2jxl h ASP 3 N -0.86 0.00 0.08 -2.24 2.03 -2.05 -1.93 116.42 111.45 2jxl h ASP 3 Ca -0.46 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.74 2jxl h ASP 3 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 2jxl h ASP 3 CO 0.45 0.29 -0.33 -0.29 -1.03 0.00 0.00 179.24 178.33 2jxl h ILE 4 N 0.00 1.28 0.14 4.15 2.10 -2.00 -1.73 117.51 121.45 2jxl h ILE 4 Ca -0.00 -1.37 -0.28 0.00 1.08 0.00 0.00 64.86 64.29 2jxl h ILE 4 Cb 0.73 1.51 0.01 0.00 -1.09 0.00 0.00 36.82 37.98 2jxl h ILE 4 CO 0.04 0.42 -1.36 1.88 -1.08 0.00 0.00 178.15 178.05 2jxl h TYR 5 N 0.32 0.54 0.00 2.19 0.05 -1.87 -3.32 116.97 114.88 2jxl h TYR 5 Ca 0.04 -0.40 -0.01 0.00 0.05 0.00 0.00 58.73 58.41 2jxl h TYR 5 Cb 0.74 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.45 2jxl h TYR 5 CO 0.02 1.53 -0.07 1.57 -1.05 0.00 0.00 178.16 180.16 2jxl h LYS 6 N -0.22 0.00 -0.34 4.88 5.09 -1.36 -1.09 116.57 123.53 2jxl h LYS 6 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.41 2jxl h LYS 6 Cb 1.82 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.14 2jxl h LYS 6 CO 0.11 0.07 0.02 0.00 -2.09 0.00 0.00 179.45 177.56 2jxl h ALA 7 N 1.93 0.45 0.00 0.07 0.00 -1.41 0.07 119.26 120.37 2jxl h ALA 7 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2jxl h ALA 7 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jxl h ALA 7 CO 0.01 0.20 -0.61 0.00 0.00 0.00 0.00 179.25 178.84 2jxl h ALA 8 N 0.87 0.60 -0.06 0.00 0.00 -1.56 -3.04 119.26 116.06 2jxl h ALA 8 Ca 0.10 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2jxl h ALA 8 Cb 0.42 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jxl h ALA 8 CO 0.01 0.76 -0.37 0.28 0.00 0.00 0.00 179.25 179.94 2jxl h VAL 9 N 0.00 1.42 0.00 0.00 2.07 -1.10 -3.01 116.25 115.63 2jxl h VAL 9 Ca -0.01 -1.79 -0.06 0.00 0.82 0.00 0.00 66.70 65.67 2jxl h VAL 9 Cb 1.47 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2jxl h VAL 9 CO 0.08 0.52 -0.26 -0.33 0.02 0.00 0.00 177.57 177.59 2jxl h GLU 10 N -0.13 0.00 -0.45 1.57 5.08 -1.07 -1.87 114.58 117.71 2jxl h GLU 10 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jxl h GLU 10 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jxl h GLU 10 CO 0.08 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 2jxl n GLN 11 N -3.84 2.05 -0.95 2.33 10.64 -1.15 -4.92 117.38 121.54 2jxl n GLN 11 Ca -0.02 -1.36 -0.30 0.00 -1.83 0.00 0.00 57.00 53.49 2jxl n GLN 11 Cb 0.35 -1.40 0.26 0.00 -0.86 0.00 0.00 30.24 28.59 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jxl s LEU 12 N -1.07 0.29 0.27 2.61 1.43 -0.71 -5.04 118.68 116.46 2jxl s LEU 12 Ca 0.25 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 2jxl s LEU 12 Cb 0.14 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2jxl s LEU 12 CO 0.15 -4.46 0.42 0.28 0.23 0.00 0.00 176.35 172.97 2jxl s THR 13 N -2.89 5.21 0.35 5.49 -1.32 -1.26 -4.95 115.64 116.27 2jxl s THR 13 Ca 0.71 -0.79 0.11 0.00 -1.21 0.00 0.00 61.69 60.51 2jxl s THR 13 Cb -0.09 -3.85 0.34 0.00 -1.51 0.00 0.00 72.50 67.38 2jxl s THR 13 CO 0.56 -0.39 1.79 -0.33 -2.21 0.00 0.00 174.62 174.05 2jxl h GLU 14 N 1.11 0.59 -0.49 7.08 5.08 -1.99 0.62 114.58 126.58 2jxl h GLU 14 Ca -0.51 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 2jxl h GLU 14 Cb 1.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2jxl h GLU 14 CO 0.62 0.39 0.03 0.93 -1.00 0.00 0.00 179.01 179.98 2jxl h GLU 15 N 0.61 0.84 0.10 2.33 5.08 -1.98 -0.14 114.58 121.43 2jxl h GLU 15 Ca 0.56 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2jxl h GLU 15 Cb 1.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jxl h GLU 15 CO -0.32 0.87 -0.05 1.96 -1.00 0.00 0.00 179.01 180.47 2jxl h GLN 16 N 0.71 -0.13 -0.73 2.33 1.08 -1.30 0.11 115.11 117.18 2jxl h GLN 16 Ca 0.14 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.30 2jxl h GLN 16 Cb 0.46 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2jxl h GLN 16 CO 0.02 -0.03 0.25 0.87 -0.95 0.00 0.00 178.83 178.99 2jxl h LYS 17 N -0.21 1.10 -0.51 1.46 1.79 -1.26 -1.84 116.57 117.11 2jxl h LYS 17 Ca -0.01 -0.21 -0.09 0.00 -2.18 0.00 0.00 60.65 58.15 2jxl h LYS 17 Cb 0.17 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2jxl h LYS 17 CO 0.02 0.92 -0.05 -0.97 -1.08 0.00 0.00 179.45 178.29 2jxl h ASN 18 N 1.07 0.88 0.06 0.86 -1.24 -0.81 0.20 115.58 116.60 2jxl h ASN 18 Ca 0.24 -0.25 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 2jxl h ASN 18 Cb 0.26 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.07 2jxl h ASN 18 CO -0.01 0.97 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.74 2jxl h GLU 19 N 0.82 -0.08 -0.41 6.67 4.39 -0.44 0.31 114.58 125.83 2jxl h GLU 19 Ca 0.14 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 2jxl h GLU 19 Cb 0.56 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2jxl h GLU 19 CO 0.03 0.20 -0.08 0.74 -1.16 0.00 0.00 179.01 178.74 2jxl h PHE 20 N -0.36 0.87 -0.37 4.33 0.04 -1.30 0.27 116.94 120.43 2jxl h PHE 20 Ca -0.01 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.53 2jxl h PHE 20 Cb 0.31 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2jxl h PHE 20 CO 0.02 0.89 0.04 -0.22 -0.60 0.00 0.00 178.31 178.43 2jxl h LYS 21 N 0.60 0.62 0.15 1.51 3.64 -0.60 -1.25 116.57 121.24 2jxl h LYS 21 Ca 0.11 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2jxl h LYS 21 Cb 0.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jxl h LYS 21 CO 0.04 0.70 -0.07 0.00 -2.27 0.00 0.00 179.45 177.85 2jxl h ALA 22 N 0.89 -0.21 -0.41 5.00 0.00 -0.34 -3.12 119.26 121.07 2jxl h ALA 22 Ca 0.11 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.92 2jxl h ALA 22 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jxl h ALA 22 CO 0.01 -0.36 0.31 0.00 0.00 0.00 0.00 179.25 179.21 2jxl h ALA 23 N -0.02 2.34 -0.39 0.00 0.00 -0.51 0.17 119.26 120.86 2jxl h ALA 23 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jxl h ALA 23 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2jxl h ALA 23 CO 0.03 -0.52 0.01 0.35 0.00 0.00 0.00 179.25 179.13 2jxl h PHE 24 N 0.00 0.64 -0.39 0.00 3.57 -1.16 -2.18 116.94 117.42 2jxl h PHE 24 Ca 0.20 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2jxl h PHE 24 Cb 0.81 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2jxl h PHE 24 CO 0.00 0.61 -0.00 0.22 -2.23 0.00 0.00 178.31 176.91 2jxl h ASP 25 N 0.59 0.68 0.34 0.41 1.82 -0.95 -0.31 116.42 119.00 2jxl h ASP 25 Ca 0.12 -0.31 -0.05 0.00 -0.39 0.00 0.00 57.03 56.40 2jxl h ASP 25 Cb 0.35 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 2jxl h ASP 25 CO 0.01 0.83 -0.26 0.40 -1.61 0.00 0.00 179.24 178.61 2jxl h ILE 26 N 0.52 1.05 0.21 2.25 5.03 -1.42 -0.86 117.51 124.29 2jxl h ILE 26 Ca 0.11 -0.93 -0.32 0.00 -0.12 0.00 0.00 64.86 63.60 2jxl h ILE 26 Cb 0.48 1.52 0.04 0.00 -3.03 0.00 0.00 36.82 35.83 2jxl h ILE 26 CO 0.02 0.25 -1.37 -0.26 -0.68 0.00 0.00 178.15 176.11 2jxl h PHE 27 N 0.00 0.98 -0.09 1.37 -1.00 -1.12 -3.22 116.94 113.85 2jxl h PHE 27 Ca -0.00 -0.68 0.00 0.00 2.81 0.00 0.00 57.97 60.10 2jxl h PHE 27 Cb 0.50 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2jxl h PHE 27 CO 0.00 1.53 0.00 1.33 -1.61 0.00 0.00 178.31 179.56 2jxl n VAL 28 N -3.77 0.12 0.21 -0.55 0.24 -0.15 -3.97 118.33 110.45 2jxl n VAL 28 Ca -0.16 -0.18 0.18 0.00 -2.04 0.00 0.00 64.34 62.15 2jxl n VAL 28 Cb 1.05 0.04 0.84 0.00 -1.47 0.00 0.00 33.84 34.30 2jxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2jxl h LEU 29 N 1.05 0.00 0.00 1.34 3.38 -1.17 0.07 115.31 119.98 2jxl h LEU 29 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2jxl h LEU 29 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2jxl h LEU 29 CO 0.00 0.00 -1.39 1.23 0.09 0.00 0.00 178.44 178.37 2jxl h GLY 30 N 0.00 0.00 -0.78 0.83 0.00 -1.83 -3.47 103.07 97.81 2jxl h GLY 30 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.97 2jxl h GLY 30 CO -0.00 0.00 0.28 0.00 0.00 0.00 0.00 176.54 176.81 2jxl s ALA 31 N -2.76 1.57 -0.17 3.60 0.00 0.01 -5.03 121.76 118.99 2jxl s ALA 31 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 2jxl s ALA 31 Cb 0.08 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 20.08 2jxl s ALA 31 CO 0.81 -2.49 -0.16 -1.91 0.00 0.00 0.00 175.76 172.01 2jxl n GLU 32 N -3.91 0.42 0.06 0.00 0.00 -1.26 -4.64 120.64 111.30 2jxl n GLU 32 Ca 0.07 0.11 -0.12 0.00 0.00 0.00 0.00 57.16 57.22 2jxl n GLU 32 Cb 0.59 -1.31 -0.13 0.00 0.00 0.00 0.00 31.44 30.59 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2jxl h ASP 33 N -0.10 0.21 0.00 4.31 3.32 -1.95 -3.48 116.42 118.72 2jxl h ASP 33 Ca -0.39 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.39 2jxl h ASP 33 Cb 1.56 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2jxl h ASP 33 CO -0.09 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.26 2jxl n GLY 34 N 1.53 0.69 3.38 2.75 0.00 -1.26 -5.17 105.19 107.10 2jxl n GLY 34 Ca -0.10 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 2jxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl s ILE 36 N -3.59 1.29 0.18 0.00 1.01 -1.17 -4.36 121.20 114.56 2jxl s ILE 36 Ca 0.34 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 2jxl s ILE 36 Cb 0.02 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 41.16 2jxl s ILE 36 CO 0.18 0.41 0.59 -0.94 0.00 0.00 0.00 174.94 175.18 2jxl s SER 37 N 1.60 6.82 0.55 3.58 1.04 -1.26 -2.14 113.70 123.90 2jxl s SER 37 Ca 0.05 1.11 0.31 0.00 0.48 0.00 0.00 55.95 57.90 2jxl s SER 37 Cb -0.13 -2.30 1.47 0.00 0.10 0.00 0.00 66.02 65.16 2jxl s SER 37 CO -0.09 0.04 1.88 0.00 0.98 0.00 0.00 173.24 176.05 2jxl h THR 38 N 2.60 0.50 0.28 2.02 1.03 -1.93 0.38 112.91 117.79 2jxl h THR 38 Ca -0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.90 2jxl h THR 38 Cb 1.19 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2jxl h THR 38 CO 0.66 0.00 -0.13 0.11 -0.01 0.00 0.00 175.52 176.15 2jxl h LYS 39 N 0.00 -0.36 0.00 0.00 6.56 -1.92 -2.83 116.57 118.02 2jxl h LYS 39 Ca 0.38 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.88 2jxl h LYS 39 Cb 1.62 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 33.34 2jxl h LYS 39 CO -0.00 -0.05 -0.55 0.93 -2.06 0.00 0.00 179.45 177.71 2jxl h GLU 40 N -0.69 0.00 0.00 3.15 4.39 -1.58 -2.96 114.58 116.88 2jxl h GLU 40 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2jxl h GLU 40 Cb 0.48 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2jxl h GLU 40 CO 0.06 0.55 -0.07 1.25 -1.16 0.00 0.00 179.01 179.65 2jxl h LEU 41 N 0.00 0.00 0.08 1.33 5.85 -0.28 -2.11 115.31 120.18 2jxl h LEU 41 Ca -0.01 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.46 2jxl h LEU 41 Cb 1.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2jxl h LEU 41 CO 0.07 0.07 -1.16 1.23 -0.34 0.00 0.00 178.44 178.31 2jxl h GLY 42 N 0.29 0.20 1.41 3.75 0.00 -1.32 -3.25 103.07 104.14 2jxl h GLY 42 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2jxl h GLY 42 CO 0.01 0.44 -0.24 0.07 0.00 0.00 0.00 176.54 176.82 2jxl h LYS 43 N 0.05 0.68 0.00 4.80 2.10 -1.42 -2.76 116.57 120.01 2jxl h LYS 43 Ca -0.09 -0.27 -0.06 0.00 -2.00 0.00 0.00 60.65 58.23 2jxl h LYS 43 Cb 1.90 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.19 2jxl h LYS 43 CO 0.18 0.85 -0.28 0.28 -2.00 0.00 0.00 179.45 178.49 2jxl h VAL 44 N 0.59 1.16 -0.72 0.07 2.07 -1.54 -2.59 116.25 115.29 2jxl h VAL 44 Ca 0.08 -0.96 0.21 0.00 0.82 0.00 0.00 66.70 66.86 2jxl h VAL 44 Cb 0.72 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2jxl h VAL 44 CO 0.06 0.27 0.55 0.24 0.02 0.00 0.00 177.57 178.70 2jxl h MET 45 N 0.00 0.00 -0.26 1.57 2.86 -1.52 0.24 114.93 117.82 2jxl h MET 45 Ca -0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2jxl h MET 45 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2jxl h MET 45 CO 0.04 0.00 0.17 0.07 1.06 0.00 0.00 176.91 178.25 2jxl h ARG 46 N 0.00 0.26 -0.39 1.72 0.11 -1.03 -0.80 114.38 114.25 2jxl h ARG 46 Ca 0.34 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.34 2jxl h ARG 46 Cb 1.44 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 2jxl h ARG 46 CO -0.00 0.17 -0.01 0.52 0.10 0.00 0.00 179.97 180.74 2jxl h MET 47 N 0.27 0.69 0.00 0.08 2.86 -0.71 -2.77 114.93 115.34 2jxl h MET 47 Ca 0.10 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2jxl h MET 47 Cb 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2jxl h MET 47 CO -0.02 0.79 -0.24 -0.07 1.06 0.00 0.00 176.91 178.44 2jxl h LEU 48 N 0.51 0.00 0.00 1.22 3.38 -1.43 -3.46 115.31 115.53 2jxl h LEU 48 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jxl h LEU 48 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jxl h LEU 48 CO 0.02 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.40 2jxl n GLY 49 N -0.12 1.52 3.08 0.83 0.00 -0.74 -5.12 105.19 104.63 2jxl n GLY 49 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2jxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jxl s GLN 50 N -0.02 0.86 -0.40 1.61 -0.21 -0.38 -4.99 119.66 116.12 2jxl s GLN 50 Ca 0.00 -0.51 0.09 0.00 0.02 0.00 0.00 55.36 54.96 2jxl s GLN 50 Cb 0.00 -0.83 0.27 0.00 1.00 0.00 0.00 33.01 33.45 2jxl s GLN 50 CO 0.00 0.22 0.58 -1.71 -2.12 0.00 0.00 175.29 172.26 2jxl n ASN 51 N 2.48 0.57 -4.26 5.90 2.85 -1.26 -2.27 115.26 119.27 2jxl n ASN 51 Ca -0.15 -2.81 -0.29 0.00 -0.11 0.00 0.00 54.58 51.21 2jxl n ASN 51 Cb 0.56 -0.64 0.21 0.00 1.24 0.00 0.00 39.78 41.15 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2jxl s PRO 52 N -1.55 -0.44 0.93 1.20 0.04 -1.26 -4.99 135.00 128.92 2jxl s PRO 52 Ca 0.37 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 2jxl s PRO 52 Cb 0.21 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 33.17 2jxl s PRO 52 CO -0.10 -3.25 0.77 0.25 0.04 0.00 0.00 177.00 174.71 2jxl n THR 53 N -4.49 0.12 -0.03 1.26 -2.24 -1.26 -4.95 114.28 102.70 2jxl n THR 53 Ca 0.09 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2jxl n THR 53 Cb 0.58 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.91 2jxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2jxl h PRO 54 N -1.66 0.16 0.00 -0.78 0.13 -1.98 -3.14 132.00 124.72 2jxl h PRO 54 Ca -0.43 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2jxl h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jxl h PRO 54 CO 0.38 0.60 -0.17 0.93 -0.23 0.00 0.00 178.00 179.50 2jxl h GLU 55 N -0.28 0.00 -0.92 0.86 5.08 -1.97 -2.51 114.58 114.85 2jxl h GLU 55 Ca 0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2jxl h GLU 55 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2jxl h GLU 55 CO 0.02 0.17 0.60 0.93 -1.00 0.00 0.00 179.01 179.73 2jxl h GLU 56 N 0.00 1.07 -0.10 2.33 4.39 -1.91 -2.19 114.58 118.17 2jxl h GLU 56 Ca -0.00 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2jxl h GLU 56 Cb 0.34 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 2jxl h GLU 56 CO 0.02 0.71 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.18 2jxl h LEU 57 N 1.10 -1.01 -1.93 1.33 -0.00 -1.50 0.27 115.31 113.58 2jxl h LEU 57 Ca 0.38 0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.38 2jxl h LEU 57 Cb 0.10 0.42 -0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2jxl h LEU 57 CO -0.13 -0.37 -0.11 -0.61 -0.00 0.00 0.00 178.44 177.22 2jxl h GLN 58 N -0.42 0.00 0.40 1.13 5.75 -1.62 -2.66 115.11 117.69 2jxl h GLN 58 Ca 0.08 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2jxl h GLN 58 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2jxl h GLN 58 CO -0.33 0.11 -0.19 1.49 -2.65 0.00 0.00 178.83 177.26 2jxl h GLU 59 N 0.00 -0.51 0.00 1.69 4.81 -0.33 0.12 114.58 120.36 2jxl h GLU 59 Ca -0.00 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2jxl h GLU 59 Cb 0.32 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2jxl h GLU 59 CO 0.01 -0.34 -0.30 0.00 -0.73 0.00 0.00 179.01 177.66 2jxl h MET 60 N -0.53 0.00 0.00 1.92 -0.00 -1.28 -2.52 114.93 112.52 2jxl h MET 60 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.59 2jxl h MET 60 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.00 2jxl h MET 60 CO 0.09 0.30 -0.27 0.82 -0.00 0.00 0.00 176.91 177.84 2jxl h ILE 61 N 0.00 0.52 -0.04 -0.10 2.04 -1.11 -3.07 117.51 115.74 2jxl h ILE 61 Ca -0.00 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 2jxl h ILE 61 Cb 0.67 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2jxl h ILE 61 CO 0.04 0.27 0.01 -0.78 0.00 0.00 0.00 178.15 177.68 2jxl h ASP 62 N 0.00 0.07 0.98 1.72 3.58 -0.30 0.28 116.42 122.74 2jxl h ASP 62 Ca -0.00 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 2jxl h ASP 62 Cb 1.05 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2jxl h ASP 62 CO 0.04 0.28 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.23 2jxl h GLU 63 N -0.15 0.00 0.00 0.28 5.08 -1.62 -3.25 114.58 114.93 2jxl h GLU 63 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jxl h GLU 63 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jxl h GLU 63 CO 0.00 0.11 -0.13 0.28 -1.00 0.00 0.00 179.01 178.27 2jxl h VAL 64 N 0.00 0.95 -2.08 3.13 2.07 -1.39 -3.43 116.25 115.51 2jxl h VAL 64 Ca -0.00 -1.76 -0.53 0.00 0.82 0.00 0.00 66.70 65.23 2jxl h VAL 64 Cb 0.63 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2jxl h VAL 64 CO 0.01 0.32 1.44 -0.62 0.02 0.00 0.00 177.57 178.75 2jxl s ASP 65 N -5.99 5.25 0.24 0.57 -1.08 0.96 -4.65 116.67 111.97 2jxl s ASP 65 Ca -0.13 1.17 0.01 0.00 -0.52 0.00 0.00 52.55 53.08 2jxl s ASP 65 Cb -0.01 -2.52 0.26 0.00 -1.46 0.00 0.00 42.92 39.20 2jxl s ASP 65 CO 0.40 -2.24 1.60 1.05 0.52 0.00 0.00 175.17 176.50 2jxl h GLU 66 N 15.68 0.44 -0.00 4.34 4.11 -1.84 -2.94 114.58 134.36 2jxl h GLU 66 Ca -0.31 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2jxl h GLU 66 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jxl h GLU 66 CO 1.09 0.81 -0.60 -0.40 0.07 0.00 0.00 179.01 179.98 2jxl n ASP 67 N -4.00 1.01 -3.71 3.06 5.75 -1.26 -4.98 116.55 112.42 2jxl n ASP 67 Ca -0.02 -0.81 -0.23 0.00 -0.01 0.00 0.00 54.79 53.72 2jxl n ASP 67 Cb 0.53 0.50 0.04 0.00 -1.03 0.00 0.00 41.12 41.16 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jxl n GLY 68 N 1.46 -0.35 0.12 6.12 0.00 -1.11 -4.85 105.19 106.57 2jxl n GLY 68 Ca 0.07 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2jxl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxl n SER 69 N -3.02 0.66 0.00 1.61 3.41 -1.26 -4.86 113.62 110.15 2jxl n SER 69 Ca -0.22 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2jxl n SER 69 Cb 0.64 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2jxl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jxl n GLY 70 N 0.18 0.33 3.17 5.00 0.00 -1.26 -5.06 105.19 107.55 2jxl n GLY 70 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2jxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jxl s THR 71 N -2.00 0.15 -0.24 2.61 -4.23 -1.26 -4.41 115.64 106.27 2jxl s THR 71 Ca 0.00 -1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 59.08 2jxl s THR 71 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 2jxl s THR 71 CO 0.00 -0.70 0.44 -0.69 -0.54 0.00 0.00 174.62 173.13 2jxl s VAL 72 N -3.64 5.14 0.40 2.29 1.01 -0.91 -4.91 120.40 119.78 2jxl s VAL 72 Ca 0.04 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.81 2jxl s VAL 72 Cb 0.04 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2jxl s VAL 72 CO -0.10 0.17 0.57 -0.62 0.00 0.00 0.00 175.10 175.12 2jxl s ASP 73 N 1.36 5.81 0.49 3.32 2.15 -1.26 -3.07 116.67 125.47 2jxl s ASP 73 Ca 0.19 -0.09 0.27 0.00 0.43 0.00 0.00 52.55 53.35 2jxl s ASP 73 Cb -0.15 -1.17 1.34 0.00 -0.30 0.00 0.00 42.92 42.64 2jxl s ASP 73 CO 0.09 -0.63 1.87 0.15 -0.17 0.00 0.00 175.17 176.47 2jxl h PHE 74 N 0.64 0.21 0.72 -5.34 3.57 -1.97 0.38 116.94 115.14 2jxl h PHE 74 Ca -0.44 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 2jxl h PHE 74 Cb 1.26 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.95 2jxl h PHE 74 CO 0.42 0.04 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.76 2jxl h ASP 75 N 0.15 -0.82 -0.36 0.41 3.32 -2.00 -2.46 116.42 114.66 2jxl h ASP 75 Ca 0.46 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.51 2jxl h ASP 75 Cb 1.57 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 2jxl h ASP 75 CO -0.08 -0.49 0.10 -0.33 -1.72 0.00 0.00 179.24 176.72 2jxl h GLU 76 N -1.16 0.57 -0.96 3.56 5.08 -1.74 -2.59 114.58 117.33 2jxl h GLU 76 Ca -0.10 -0.13 0.26 0.00 -1.00 0.00 0.00 59.36 58.39 2jxl h GLU 76 Cb 0.74 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 2jxl h GLU 76 CO 0.16 0.60 0.67 2.35 -1.00 0.00 0.00 179.01 181.79 2jxl h TRP 77 N 0.43 0.23 -0.04 4.33 7.01 -0.34 0.09 115.95 127.67 2jxl h TRP 77 Ca 0.11 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2jxl h TRP 77 Cb 0.28 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2jxl h TRP 77 CO 0.01 0.04 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.56 2jxl h LEU 78 N 0.15 0.13 -1.96 0.65 3.38 -1.04 -3.15 115.31 113.48 2jxl h LEU 78 Ca 0.48 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jxl h LEU 78 Cb 1.64 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2jxl h LEU 78 CO -0.09 0.67 -0.09 0.58 0.09 0.00 0.00 178.44 179.61 2jxl h VAL 79 N -0.41 0.85 -0.41 1.22 2.07 -0.93 -2.72 116.25 115.92 2jxl h VAL 79 Ca 0.00 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2jxl h VAL 79 Cb 0.65 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 2jxl h VAL 79 CO 0.02 0.09 -0.01 -0.03 0.02 0.00 0.00 177.57 177.65 2jxl h MET 80 N 0.00 0.09 -0.25 1.57 1.85 -1.06 -1.09 114.93 116.04 2jxl h MET 80 Ca -0.00 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 58.98 2jxl h MET 80 Cb 0.18 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 2jxl h MET 80 CO 0.01 0.06 -0.27 1.98 -0.40 0.00 0.00 176.91 178.30 2jxl h MET 81 N 0.10 0.49 -0.19 0.39 -1.53 -1.58 -2.68 114.93 109.93 2jxl h MET 81 Ca 0.20 -0.19 0.06 0.00 -3.44 0.00 0.00 59.70 56.33 2jxl h MET 81 Cb 0.29 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 2jxl h MET 81 CO -0.35 0.72 0.15 0.00 0.14 0.00 0.00 176.91 177.57 2jxl h ALA 82 N 1.28 2.10 0.00 0.39 0.00 -1.15 0.64 119.26 122.53 2jxl h ALA 82 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jxl h ALA 82 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jxl h ALA 82 CO 0.05 -0.25 -0.22 0.07 0.00 0.00 0.00 179.25 178.90 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 0.11 -1.06 -2.32 114.38 111.11 2jxl h ARG 83 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2jxl h ARG 83 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2jxl h ARG 83 CO -0.00 0.22 0.00 0.00 0.10 0.00 0.00 179.97 180.29 2jxl h MET 85 N 0.00 0.55 -2.04 0.00 2.86 -1.49 -3.24 114.93 111.57 2jxl h MET 85 Ca 0.00 -0.39 -0.09 0.00 -2.06 0.00 0.00 59.70 57.16 2jxl h MET 85 Cb 0.33 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2jxl h MET 85 CO 0.00 1.00 -0.17 0.36 1.06 0.00 0.00 176.91 179.17 2jxl n LYS 86 N -4.27 1.40 -2.81 1.72 0.00 -1.13 -4.29 118.16 108.77 2jxl n LYS 86 Ca -0.07 -0.48 -0.03 0.00 -0.00 0.00 0.00 58.31 57.74 2jxl n LYS 86 Cb 0.54 -1.51 0.01 0.00 -0.00 0.00 0.00 35.03 34.07 2jxl n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2jxl s ASP 87 N 2.04 -1.18 -0.63 -5.58 2.15 -1.22 -5.02 116.67 107.22 2jxl s ASP 87 Ca 0.32 -1.25 -0.02 0.00 0.43 0.00 0.00 52.55 52.02 2jxl s ASP 87 Cb 0.15 1.54 0.35 0.00 -0.30 0.00 0.00 42.92 44.67 2jxl s ASP 87 CO 0.00 -0.06 2.10 -0.90 -0.17 0.00 0.00 175.17 176.14 2jxl n ASP 88 N 3.12 7.36 -0.18 -0.34 5.75 -1.26 -5.01 116.55 125.99 2jxl n ASP 88 Ca 0.15 -3.63 0.15 0.00 -0.01 0.00 0.00 54.79 51.46 2jxl n ASP 88 Cb 0.58 -1.04 0.79 0.00 -1.03 0.00 0.00 41.12 40.43 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55