#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jeb s HIS 2 N 0.00 0.72 -0.04 1.45 3.76 -1.26 -4.53 115.29 115.38 1jeb s HIS 2 Ca 0.00 -0.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1jeb s HIS 2 Cb 0.00 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 1jeb s HIS 2 CO 0.00 -0.45 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.69 1jeb s LEU 3 N 1.96 2.05 0.96 0.89 1.02 -1.26 -5.12 118.68 119.18 1jeb s LEU 3 Ca 0.02 -0.48 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 1jeb s LEU 3 Cb -0.14 -1.31 0.15 0.00 0.02 0.00 0.00 46.19 44.91 1jeb s LEU 3 CO -0.07 0.25 1.01 1.07 0.02 0.00 0.00 176.35 178.64 1jeb n THR 4 N 2.83 0.00 0.23 5.49 5.66 -1.26 -4.62 114.28 122.61 1jeb n THR 4 Ca -0.17 -0.09 0.06 0.00 -3.05 0.00 0.00 64.05 60.80 1jeb n THR 4 Cb 0.52 -0.94 0.28 0.00 -1.55 0.00 0.00 70.33 68.64 1jeb n THR 4 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jeb n ASP 5 N -3.92 0.22 -0.06 1.09 8.00 -1.26 -0.70 116.55 119.93 1jeb n ASP 5 Ca 0.10 0.58 -0.05 0.00 0.71 0.00 0.00 54.79 56.13 1jeb n ASP 5 Cb 0.53 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 1jeb n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jeb h ALA 6 N 2.17 0.00 -0.69 2.24 0.00 -1.99 -2.54 119.26 118.45 1jeb h ALA 6 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1jeb h ALA 6 Cb 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1jeb h ALA 6 CO 0.00 0.01 0.42 0.93 0.00 0.00 0.00 179.25 180.61 1jeb h GLU 7 N -1.00 0.77 -0.36 0.00 5.08 -1.71 0.24 114.58 117.60 1jeb h GLU 7 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1jeb h GLU 7 Cb 0.34 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1jeb h GLU 7 CO -0.00 0.51 0.14 0.87 -1.00 0.00 0.00 179.01 179.53 1jeb h LYS 8 N 0.79 0.51 -0.05 2.33 1.57 -1.04 0.37 116.57 121.06 1jeb h LYS 8 Ca 0.29 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.80 1jeb h LYS 8 Cb 0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jeb h LYS 8 CO -0.14 0.43 -0.82 0.00 -0.57 0.00 0.00 179.45 178.36 1jeb h ALA 9 N 1.65 0.50 0.05 3.86 0.00 -0.85 -1.78 119.26 122.69 1jeb h ALA 9 Ca 0.13 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1jeb h ALA 9 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jeb h ALA 9 CO -0.01 0.79 -0.02 0.00 0.00 0.00 0.00 179.25 180.00 1jeb h ALA 10 N 0.85 -0.07 -0.55 0.00 0.00 0.01 0.19 119.26 119.70 1jeb h ALA 10 Ca -0.05 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1jeb h ALA 10 Cb 1.42 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1jeb h ALA 10 CO 0.14 -0.35 0.26 0.28 0.00 0.00 0.00 179.25 179.59 1jeb h VAL 11 N -0.45 0.92 -0.05 0.00 2.07 -0.36 0.73 116.25 119.11 1jeb h VAL 11 Ca -0.01 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1jeb h VAL 11 Cb 0.40 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1jeb h VAL 11 CO 0.01 0.09 0.03 -1.28 0.02 0.00 0.00 177.57 176.45 1jeb h SER 12 N 0.50 0.06 -0.28 0.57 0.87 -1.22 -0.23 113.55 113.82 1jeb h SER 12 Ca 0.25 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1jeb h SER 12 Cb 0.19 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1jeb h SER 12 CO -0.19 0.09 -0.02 1.23 -0.53 0.00 0.00 176.83 177.40 1jeb h GLY 13 N 0.03 0.55 1.16 5.77 0.00 -0.19 -2.71 103.07 107.69 1jeb h GLY 13 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 1jeb h GLY 13 CO -0.00 0.39 -0.14 1.41 0.00 0.00 0.00 176.54 178.20 1jeb h LEU 14 N 0.29 0.98 -1.19 3.11 3.38 -0.87 -2.78 115.31 118.23 1jeb h LEU 14 Ca 0.08 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1jeb h LEU 14 Cb 0.47 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1jeb h LEU 14 CO 0.02 1.11 0.55 -0.25 0.09 0.00 0.00 178.44 179.96 1jeb h TRP 15 N 0.86 1.02 0.00 1.13 2.91 -1.03 0.67 115.95 121.51 1jeb h TRP 15 Ca 0.13 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1jeb h TRP 15 Cb 0.70 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1jeb h TRP 15 CO 0.04 0.62 0.00 0.41 -1.03 0.00 0.00 178.44 178.49 1jeb n GLY 16 N -1.41 -0.95 1.06 2.65 0.00 -1.02 -2.45 105.19 103.06 1jeb n GLY 16 Ca 0.10 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1jeb n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jeb n LYS 17 N -1.58 2.35 -4.29 1.61 5.02 0.23 -4.94 118.16 116.55 1jeb n LYS 17 Ca 0.03 -2.07 -0.16 0.00 -2.02 0.00 0.00 58.31 54.08 1jeb n LYS 17 Cb 0.15 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 1jeb n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jeb s VAL 18 N -1.34 1.43 -0.65 -0.18 -7.23 -1.03 -4.96 120.40 106.44 1jeb s VAL 18 Ca 0.39 -2.12 -0.23 0.00 -1.81 0.00 0.00 61.98 58.20 1jeb s VAL 18 Cb 0.21 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 35.28 1jeb s VAL 18 CO 0.28 -0.67 1.00 0.21 -0.31 0.00 0.00 175.10 175.62 1jeb s ASN 19 N -3.22 6.20 0.22 4.85 3.84 -1.26 -4.90 114.94 120.68 1jeb s ASN 19 Ca 0.19 -0.80 -0.08 0.00 0.21 0.00 0.00 52.86 52.38 1jeb s ASN 19 Cb 0.01 -2.44 0.36 0.00 -0.55 0.00 0.00 41.25 38.62 1jeb s ASN 19 CO 0.03 -1.46 1.69 0.00 -2.79 0.00 0.00 177.10 174.58 1jeb h ALA 20 N 9.58 0.79 -0.69 1.71 0.00 -1.98 -1.57 119.26 127.10 1jeb h ALA 20 Ca -0.28 0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1jeb h ALA 20 Cb 1.07 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1jeb h ALA 20 CO 1.18 -0.33 0.36 -0.44 0.00 0.00 0.00 179.25 180.02 1jeb h ASP 21 N 0.25 0.50 -0.48 0.00 3.45 -1.93 -0.97 116.42 117.24 1jeb h ASP 21 Ca 0.35 0.05 -0.12 0.00 0.43 0.00 0.00 57.03 57.74 1jeb h ASP 21 Cb 0.56 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1jeb h ASP 21 CO -0.46 0.31 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.03 1jeb h GLU 22 N 0.64 0.97 -0.68 3.56 5.08 -1.75 -1.44 114.58 120.96 1jeb h GLU 22 Ca 0.33 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jeb h GLU 22 Cb 0.29 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1jeb h GLU 22 CO -0.23 1.05 0.44 0.28 -1.00 0.00 0.00 179.01 179.55 1jeb h VAL 23 N 0.86 1.14 -0.35 3.13 2.07 -0.57 0.11 116.25 122.63 1jeb h VAL 23 Ca 0.13 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1jeb h VAL 23 Cb 0.72 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1jeb h VAL 23 CO 0.05 0.16 -0.14 1.23 0.02 0.00 0.00 177.57 178.89 1jeb h GLY 24 N 0.88 0.77 1.03 2.17 0.00 -1.02 -1.00 103.07 105.90 1jeb h GLY 24 Ca 0.26 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1jeb h GLY 24 CO -0.08 0.62 0.10 -1.33 0.00 0.00 0.00 176.54 175.85 1jeb h GLY 25 N 0.50 1.05 1.65 4.60 0.00 -0.96 -1.82 103.07 108.09 1jeb h GLY 25 Ca 0.08 -0.69 -0.18 0.00 0.00 0.00 0.00 47.33 46.54 1jeb h GLY 25 CO 0.05 0.64 -0.72 0.83 0.00 0.00 0.00 176.54 177.34 1jeb h GLU 26 N 0.88 0.34 -0.28 4.80 5.08 -0.78 -1.23 114.58 123.40 1jeb h GLU 26 Ca 0.18 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1jeb h GLU 26 Cb 0.41 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1jeb h GLU 26 CO 0.01 0.93 -0.03 0.00 -1.00 0.00 0.00 179.01 178.92 1jeb h ALA 27 N 0.99 0.39 -0.40 3.43 0.00 -1.07 0.24 119.26 122.83 1jeb h ALA 27 Ca -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1jeb h ALA 27 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1jeb h ALA 27 CO 0.12 0.16 0.14 1.25 0.00 0.00 0.00 179.25 180.92 1jeb h LEU 28 N 0.29 0.57 -0.21 0.00 6.46 -1.35 -1.01 115.31 120.07 1jeb h LEU 28 Ca 0.08 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1jeb h LEU 28 Cb 0.48 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1jeb h LEU 28 CO 0.02 0.60 0.01 1.23 -0.62 0.00 0.00 178.44 179.68 1jeb h GLY 29 N 0.50 0.21 1.40 3.75 0.00 -1.06 -1.58 103.07 106.28 1jeb h GLY 29 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1jeb h GLY 29 CO -0.01 -0.03 0.26 3.21 0.00 0.00 0.00 176.54 179.97 1jeb h ARG 30 N 0.08 0.78 -0.05 4.80 3.08 -0.73 -1.84 114.38 120.50 1jeb h ARG 30 Ca 0.10 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1jeb h ARG 30 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1jeb h ARG 30 CO -0.16 0.61 -0.03 1.25 -1.07 0.00 0.00 179.97 180.58 1jeb h LEU 31 N 0.78 -0.10 -1.56 3.04 5.85 -0.46 0.12 115.31 122.98 1jeb h LEU 31 Ca 0.19 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1jeb h LEU 31 Cb 0.10 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1jeb h LEU 31 CO -0.02 -0.05 0.04 -0.07 -0.34 0.00 0.00 178.44 178.00 1jeb h LEU 32 N -0.03 0.29 0.04 2.25 3.38 -0.93 -0.68 115.31 119.62 1jeb h LEU 32 Ca 0.03 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1jeb h LEU 32 Cb 0.08 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1jeb h LEU 32 CO -0.07 0.31 -0.29 0.58 0.09 0.00 0.00 178.44 179.06 1jeb h VAL 33 N 0.32 1.66 0.00 1.22 2.07 -0.84 -3.25 116.25 117.43 1jeb h VAL 33 Ca 0.08 -2.29 -0.18 0.00 0.82 0.00 0.00 66.70 65.12 1jeb h VAL 33 Cb 0.15 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1jeb h VAL 33 CO -0.00 0.62 -0.85 0.58 0.02 0.00 0.00 177.57 177.94 1jeb h VAL 34 N -0.70 1.59 -2.44 2.57 2.07 -0.73 -3.35 116.25 115.25 1jeb h VAL 34 Ca -0.05 -2.86 -0.60 0.00 0.82 0.00 0.00 66.70 64.02 1jeb h VAL 34 Cb 1.17 2.55 -0.41 0.00 -1.52 0.00 0.00 31.29 33.09 1jeb h VAL 34 CO 0.05 0.82 -0.74 -1.22 0.02 0.00 0.00 177.57 176.50 1jeb n TYR 35 N -3.55 2.09 -0.16 1.57 4.01 -0.27 -4.99 117.16 115.86 1jeb n TYR 35 Ca -0.01 -3.96 0.29 0.00 -0.16 0.00 0.00 57.90 54.06 1jeb n TYR 35 Cb 0.81 -0.41 0.68 0.00 -0.31 0.00 0.00 39.34 40.10 1jeb n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1jeb h PRO 36 N 4.72 0.00 0.00 -0.72 0.13 -1.71 -1.12 132.00 133.30 1jeb h PRO 36 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1jeb h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1jeb h PRO 36 CO 0.66 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.53 1jeb h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.52 115.95 114.16 1jeb h TRP 37 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.41 1jeb h TRP 37 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.31 1jeb h TRP 37 CO 0.00 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.33 1jeb h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.52 -2.50 112.91 110.36 1jeb h THR 38 Ca -0.00 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1jeb h THR 38 Cb 0.26 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1jeb h THR 38 CO 0.00 0.00 -0.13 1.56 -0.25 0.00 0.00 175.52 176.70 1jeb h GLN 39 N 0.00 0.00 -0.54 4.72 4.20 -1.47 -2.79 115.11 119.23 1jeb h GLN 39 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1jeb h GLN 39 Cb 0.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1jeb h GLN 39 CO 0.00 0.13 0.44 -0.09 -0.67 0.00 0.00 178.83 178.65 1jeb h ARG 40 N 0.00 0.00 -0.00 1.46 2.43 -1.64 0.93 114.38 117.56 1jeb h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jeb h ARG 40 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1jeb h ARG 40 CO 0.02 0.00 -0.16 0.66 -1.51 0.00 0.00 179.97 178.98 1jeb n TYR 41 N -4.10 0.00 -2.20 2.20 4.02 -1.05 -4.15 117.16 111.88 1jeb n TYR 41 Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.84 1jeb n TYR 41 Cb 0.66 -0.26 0.04 0.00 -0.02 0.00 0.00 39.34 39.77 1jeb n TYR 41 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jeb n PHE 42 N -1.16 2.11 -0.03 -0.72 3.72 0.32 -4.84 117.46 116.86 1jeb n PHE 42 Ca 0.11 -2.10 0.13 0.00 -0.05 0.00 0.00 57.45 55.55 1jeb n PHE 42 Cb 0.30 -0.30 0.56 0.00 -0.94 0.00 0.00 39.48 39.10 1jeb n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1jeb h ASP 43 N 2.16 0.24 0.16 4.37 3.32 -1.72 -1.08 116.42 123.88 1jeb h ASP 43 Ca 0.20 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1jeb h ASP 43 Cb 1.44 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1jeb h ASP 43 CO 0.54 0.15 0.00 -1.54 -1.72 0.00 0.00 179.24 176.67 1jeb n SER 44 N -4.46 0.00 -0.04 6.45 3.41 -1.26 -3.39 113.62 114.33 1jeb n SER 44 Ca 0.08 -0.51 0.14 0.00 -0.26 0.00 0.00 58.87 58.32 1jeb n SER 44 Cb 0.39 -0.10 0.55 0.00 -0.26 0.00 0.00 64.21 64.79 1jeb n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1jeb n PHE 45 N -1.10 0.00 -0.98 7.33 3.01 -0.41 -5.04 117.46 120.27 1jeb n PHE 45 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1jeb n PHE 45 Cb 0.12 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1jeb n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jeb n GLY 46 N 1.40 0.90 3.60 1.37 0.00 -1.22 -4.66 105.19 106.58 1jeb n GLY 46 Ca 0.10 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1jeb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jeb s ASP 47 N -4.00 6.09 -0.10 1.61 2.15 -1.26 -4.81 116.67 116.35 1jeb s ASP 47 Ca 0.00 1.17 0.18 0.00 0.43 0.00 0.00 52.55 54.33 1jeb s ASP 47 Cb 0.00 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.49 1jeb s ASP 47 CO 0.00 -1.57 1.18 0.18 -0.17 0.00 0.00 175.17 174.80 1jeb n LEU 48 N 9.59 1.81 0.24 -1.34 4.77 -1.26 -4.30 117.00 126.51 1jeb n LEU 48 Ca 0.20 -2.89 0.11 0.00 -0.03 0.00 0.00 56.01 53.41 1jeb n LEU 48 Cb 0.47 -0.27 0.58 0.00 -2.33 0.00 0.00 43.42 41.88 1jeb n LEU 48 CO 0.69 0.92 0.88 0.77 -1.33 0.00 0.00 177.39 179.32 1jeb h SER 49 N 0.91 0.00 -5.23 -1.43 4.64 -1.92 -3.45 113.55 107.07 1jeb h SER 49 Ca -0.10 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 1jeb h SER 49 Cb 1.42 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.37 1jeb h SER 49 CO 0.04 0.18 -0.42 -0.94 -0.87 0.00 0.00 176.83 174.82 1jeb s SER 50 N -6.14 0.16 0.33 4.97 1.04 -1.26 -5.01 113.70 107.78 1jeb s SER 50 Ca -0.01 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1jeb s SER 50 Cb 0.11 0.35 0.71 0.00 0.10 0.00 0.00 66.02 67.30 1jeb s SER 50 CO 0.61 -0.76 1.86 0.00 0.98 0.00 0.00 173.24 175.92 1jeb h ALA 51 N 2.74 1.71 -0.09 5.32 0.00 -1.97 0.16 119.26 127.13 1jeb h ALA 51 Ca -0.33 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1jeb h ALA 51 Cb 1.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1jeb h ALA 51 CO 0.55 0.05 0.02 1.03 0.00 0.00 0.00 179.25 180.91 1jeb h SER 52 N 0.81 0.14 -0.84 0.00 0.87 -1.98 -1.24 113.55 111.31 1jeb h SER 52 Ca 0.46 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1jeb h SER 52 Cb 0.61 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 1jeb h SER 52 CO -0.22 0.33 0.38 0.00 -0.53 0.00 0.00 176.83 176.79 1jeb h ALA 53 N 0.81 1.08 0.19 6.23 0.00 -1.56 -2.35 119.26 123.67 1jeb h ALA 53 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jeb h ALA 53 Cb 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jeb h ALA 53 CO 0.00 0.67 -0.09 0.82 0.00 0.00 0.00 179.25 180.64 1jeb h ILE 54 N 1.20 0.90 0.00 0.00 2.04 -0.62 -1.66 117.51 119.37 1jeb h ILE 54 Ca 0.29 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1jeb h ILE 54 Cb 0.15 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1jeb h ILE 54 CO -0.03 0.10 -0.06 0.24 0.00 0.00 0.00 178.15 178.40 1jeb h MET 55 N -0.48 0.00 -0.33 2.37 2.86 -1.16 -1.98 114.93 116.21 1jeb h MET 55 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1jeb h MET 55 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jeb h MET 55 CO 0.04 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.48 1jeb n GLY 56 N -0.69 1.61 3.68 8.32 0.00 -0.89 -4.95 105.19 112.27 1jeb n GLY 56 Ca -0.02 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1jeb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jeb s ASN 57 N -1.31 6.89 0.18 1.61 3.84 -0.63 -4.94 114.94 120.58 1jeb s ASN 57 Ca 0.32 1.94 -0.14 0.00 0.21 0.00 0.00 52.86 55.20 1jeb s ASN 57 Cb 0.19 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.41 1jeb s ASN 57 CO 0.26 -0.73 1.83 0.00 -2.79 0.00 0.00 177.10 175.67 1jeb h ALA 58 N 8.12 0.70 -0.61 1.71 0.00 -1.89 -1.45 119.26 125.84 1jeb h ALA 58 Ca -0.34 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1jeb h ALA 58 Cb 1.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1jeb h ALA 58 CO 0.93 0.16 0.16 0.87 0.00 0.00 0.00 179.25 181.37 1jeb h LYS 59 N 0.75 0.98 -0.39 0.00 1.57 -1.92 0.33 116.57 117.89 1jeb h LYS 59 Ca 0.20 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1jeb h LYS 59 Cb -0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 1jeb h LYS 59 CO -0.04 0.88 0.16 0.28 -0.57 0.00 0.00 179.45 180.16 1jeb h VAL 60 N 0.89 0.92 -0.34 0.50 2.07 -1.79 0.40 116.25 118.91 1jeb h VAL 60 Ca 0.19 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1jeb h VAL 60 Cb 0.34 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1jeb h VAL 60 CO -0.00 0.06 0.13 0.11 0.02 0.00 0.00 177.57 177.89 1jeb h LYS 61 N 0.33 0.51 -0.58 1.57 1.57 -0.80 -0.29 116.57 118.88 1jeb h LYS 61 Ca 0.17 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1jeb h LYS 61 Cb 0.13 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jeb h LYS 61 CO -0.16 0.52 0.37 0.00 -0.57 0.00 0.00 179.45 179.61 1jeb h ALA 62 N 0.97 0.74 -0.38 3.86 0.00 0.28 -2.38 119.26 122.35 1jeb h ALA 62 Ca 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1jeb h ALA 62 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jeb h ALA 62 CO -0.01 0.12 -0.16 1.25 0.00 0.00 0.00 179.25 180.45 1jeb h HIS 63 N 0.74 0.78 -0.26 0.00 -0.00 0.03 -2.56 115.15 113.88 1jeb h HIS 63 Ca 0.22 -0.15 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1jeb h HIS 63 Cb -0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 1jeb h HIS 63 CO -0.05 0.82 0.18 0.78 -0.00 0.00 0.00 177.93 179.66 1jeb h GLY 64 N 0.98 0.27 1.00 5.26 0.00 -0.56 -0.65 103.07 109.37 1jeb h GLY 64 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1jeb h GLY 64 CO 0.04 0.08 0.25 1.70 0.00 0.00 0.00 176.54 178.62 1jeb h LYS 65 N 0.24 0.91 -0.48 4.80 3.64 -1.07 -0.11 116.57 124.51 1jeb h LYS 65 Ca 0.11 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1jeb h LYS 65 Cb 0.14 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1jeb h LYS 65 CO -0.02 0.77 0.10 0.87 -2.27 0.00 0.00 179.45 178.90 1jeb h LYS 66 N 0.85 0.77 -0.12 1.90 1.57 -1.15 -0.56 116.57 119.83 1jeb h LYS 66 Ca 0.21 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1jeb h LYS 66 Cb 0.19 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1jeb h LYS 66 CO -0.02 0.77 0.06 0.28 -0.57 0.00 0.00 179.45 179.97 1jeb h VAL 67 N 0.65 1.00 0.00 0.50 2.07 -1.01 -2.42 116.25 117.04 1jeb h VAL 67 Ca 0.15 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1jeb h VAL 67 Cb 0.35 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1jeb h VAL 67 CO 0.00 0.02 -0.31 -0.29 0.02 0.00 0.00 177.57 177.02 1jeb h ILE 68 N 0.13 0.95 -0.37 4.57 6.09 -0.85 -0.78 117.51 127.24 1jeb h ILE 68 Ca 0.05 -1.18 -0.05 0.00 -1.37 0.00 0.00 64.86 62.30 1jeb h ILE 68 Cb 0.01 1.69 -0.01 0.00 0.47 0.00 0.00 36.82 38.98 1jeb h ILE 68 CO -0.03 0.30 0.03 0.74 -3.07 0.00 0.00 178.15 176.12 1jeb h THR 69 N 0.00 1.25 -0.62 2.19 2.02 -0.69 0.48 112.91 117.55 1jeb h THR 69 Ca -0.00 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 1jeb h THR 69 Cb 0.67 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1jeb h THR 69 CO 0.04 0.31 0.03 0.00 0.37 0.00 0.00 175.52 176.27 1jeb h ALA 70 N 0.89 0.83 -0.71 6.16 0.00 -1.17 -0.87 119.26 124.40 1jeb h ALA 70 Ca 0.11 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1jeb h ALA 70 Cb 0.41 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1jeb h ALA 70 CO 0.01 0.66 0.46 0.35 0.00 0.00 0.00 179.25 180.73 1jeb h PHE 71 N 0.98 0.87 -0.51 0.00 3.04 -0.64 -1.10 116.94 119.58 1jeb h PHE 71 Ca 0.18 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1jeb h PHE 71 Cb 0.53 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 1jeb h PHE 71 CO 0.04 0.52 0.25 -0.97 -2.02 0.00 0.00 178.31 176.14 1jeb h ASN 72 N 0.92 0.63 -0.44 0.41 -1.24 0.60 -1.70 115.58 114.77 1jeb h ASN 72 Ca 0.27 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.24 1jeb h ASN 72 Cb -0.05 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 1jeb h ASN 72 CO -0.08 0.54 0.27 0.44 -1.29 0.00 0.00 177.43 177.31 1jeb h ASP 73 N 0.71 0.45 -1.00 1.15 3.32 0.07 -2.17 116.42 118.96 1jeb h ASP 73 Ca 0.18 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1jeb h ASP 73 Cb 0.06 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1jeb h ASP 73 CO -0.03 0.32 0.66 1.23 -1.72 0.00 0.00 179.24 179.71 1jeb h GLY 74 N 0.55 1.47 2.00 2.75 0.00 -0.67 -0.62 103.07 108.54 1jeb h GLY 74 Ca 0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1jeb h GLY 74 CO -0.06 0.44 -0.02 1.41 0.00 0.00 0.00 176.54 178.30 1jeb h LEU 75 N 1.28 0.00 -1.27 3.11 4.07 -0.76 -0.26 115.31 121.48 1jeb h LEU 75 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1jeb h LEU 75 Cb -0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1jeb h LEU 75 CO -0.12 0.02 0.00 0.59 -1.08 0.00 0.00 178.44 177.85 1jeb n ASN 76 N -4.24 1.92 -2.71 -0.43 5.03 -0.27 -4.31 115.26 110.24 1jeb n ASN 76 Ca -0.03 -1.73 -0.05 0.00 0.87 0.00 0.00 54.58 53.64 1jeb n ASN 76 Cb 0.11 -0.11 0.08 0.00 -1.02 0.00 0.00 39.78 38.84 1jeb n ASN 76 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1jeb n HIS 77 N 0.49 -0.47 0.17 3.10 8.25 -0.14 -4.95 115.22 121.67 1jeb n HIS 77 Ca 0.17 -2.20 0.11 0.00 -0.26 0.00 0.00 57.72 55.54 1jeb n HIS 77 Cb 0.38 0.59 0.61 0.00 1.12 0.00 0.00 29.99 32.68 1jeb n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1jeb h LEU 78 N 2.24 0.00 -0.05 2.41 3.38 -1.65 0.47 115.31 122.11 1jeb h LEU 78 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jeb h LEU 78 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1jeb h LEU 78 CO 0.14 0.00 -0.42 -0.90 0.09 0.00 0.00 178.44 177.35 1jeb n ASP 79 N -2.29 0.49 -2.99 -0.43 3.85 -1.26 -3.38 116.55 110.55 1jeb n ASP 79 Ca -0.01 -0.24 -0.16 0.00 -0.71 0.00 0.00 54.79 53.67 1jeb n ASP 79 Cb 0.05 0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1jeb n ASP 79 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1jeb n SER 80 N -1.41 -0.98 0.02 -1.12 3.41 0.15 -4.88 113.62 108.81 1jeb n SER 80 Ca 0.06 -3.11 -0.18 0.00 -0.26 0.00 0.00 58.87 55.38 1jeb n SER 80 Cb 0.34 0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 64.68 1jeb n SER 80 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jeb h LEU 81 N 3.60 0.53 -0.77 1.04 -0.00 -1.77 -2.68 115.31 115.26 1jeb h LEU 81 Ca -0.01 -0.81 0.14 0.00 -0.00 0.00 0.00 57.88 57.20 1jeb h LEU 81 Cb 0.98 -0.17 -0.14 0.00 -0.00 0.00 0.00 40.66 41.33 1jeb h LEU 81 CO 0.37 1.28 -0.27 0.11 -0.00 0.00 0.00 178.44 179.94 1jeb h LYS 82 N -0.15 -0.05 -0.25 1.13 1.79 -1.90 -0.74 116.57 116.39 1jeb h LYS 82 Ca -0.10 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.27 1jeb h LYS 82 Cb 1.42 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1jeb h LYS 82 CO 0.13 -0.03 -0.27 0.78 -1.08 0.00 0.00 179.45 178.99 1jeb h GLY 83 N -0.05 0.68 0.94 3.86 0.00 -1.91 -2.53 103.07 104.07 1jeb h GLY 83 Ca 0.33 -0.71 0.06 0.00 0.00 0.00 0.00 47.33 47.01 1jeb h GLY 83 CO -0.80 0.64 0.56 -0.84 0.00 0.00 0.00 176.54 176.10 1jeb h THR 84 N 0.34 1.08 -0.21 4.70 2.02 -0.86 -2.85 112.91 117.13 1jeb h THR 84 Ca 0.04 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1jeb h THR 84 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1jeb h THR 84 CO 0.07 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.63 1jeb n PHE 85 N -4.47 0.25 -0.29 3.16 3.72 -0.41 -4.59 117.46 114.83 1jeb n PHE 85 Ca 0.12 -0.13 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1jeb n PHE 85 Cb 0.18 -0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.98 1jeb n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jeb h ALA 86 N 4.40 1.30 -0.35 4.37 0.00 -1.20 0.83 119.26 128.60 1jeb h ALA 86 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1jeb h ALA 86 Cb 0.96 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1jeb h ALA 86 CO 0.00 -0.30 -0.25 1.03 0.00 0.00 0.00 179.25 179.73 1jeb h SER 87 N 0.41 0.83 0.40 0.00 0.87 -1.81 -2.21 113.55 112.04 1jeb h SER 87 Ca 0.51 -0.44 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1jeb h SER 87 Cb 0.91 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1jeb h SER 87 CO -0.50 1.09 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.32 1jeb h LEU 88 N 0.58 0.14 -0.70 2.23 3.38 -1.41 -1.98 115.31 117.56 1jeb h LEU 88 Ca 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jeb h LEU 88 Cb 0.82 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1jeb h LEU 88 CO 0.07 0.62 0.36 -1.28 0.09 0.00 0.00 178.44 178.30 1jeb h SER 89 N 0.10 0.89 -0.40 -0.43 0.87 0.79 -1.61 113.55 113.77 1jeb h SER 89 Ca 0.00 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.35 1jeb h SER 89 Cb 0.93 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1jeb h SER 89 CO 0.07 0.75 -0.15 -0.08 -0.53 0.00 0.00 176.83 176.90 1jeb h GLU 90 N 0.96 0.80 0.23 2.24 4.81 -1.11 -2.38 114.58 120.13 1jeb h GLU 90 Ca 0.24 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1jeb h GLU 90 Cb 0.08 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1jeb h GLU 90 CO -0.03 0.95 -0.14 1.25 -0.73 0.00 0.00 179.01 180.31 1jeb h LEU 91 N 0.61 -0.35 -1.50 1.64 5.85 -1.14 -0.45 115.31 119.95 1jeb h LEU 91 Ca 0.09 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1jeb h LEU 91 Cb 0.69 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1jeb h LEU 91 CO 0.05 -0.23 -0.24 0.45 -0.34 0.00 0.00 178.44 178.13 1jeb h HIS 92 N -0.36 0.00 0.00 1.25 3.86 -1.30 0.47 115.15 119.08 1jeb h HIS 92 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1jeb h HIS 92 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1jeb h HIS 92 CO -0.09 0.24 -0.14 0.00 0.86 0.00 0.00 177.93 178.80 1jeb h ASP 94 N -0.25 1.06 0.05 0.00 5.19 -1.23 -2.43 116.42 118.82 1jeb h ASP 94 Ca 0.00 -0.16 -0.38 0.00 -0.62 0.00 0.00 57.03 55.88 1jeb h ASP 94 Cb 0.14 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.32 1jeb h ASP 94 CO 0.00 0.93 -2.32 0.29 -3.12 0.00 0.00 179.24 175.03 1jeb n LYS 95 N -4.28 0.68 -0.01 3.56 4.01 -0.69 -4.65 118.16 116.78 1jeb n LYS 95 Ca 0.07 0.16 0.09 0.00 -0.51 0.00 0.00 58.31 58.12 1jeb n LYS 95 Cb 0.18 -1.58 -0.15 0.00 -0.51 0.00 0.00 35.03 32.97 1jeb n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1jeb n LEU 96 N -3.24 0.11 -3.54 -0.35 4.77 0.07 -5.01 117.00 109.82 1jeb n LEU 96 Ca -0.40 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.42 1jeb n LEU 96 Cb 1.03 0.04 0.05 0.00 -2.33 0.00 0.00 43.42 42.21 1jeb n LEU 96 CO 0.33 0.03 -0.02 1.41 -1.33 0.00 0.00 177.39 177.81 1jeb n HIS 97 N -2.37 -2.10 -3.64 -1.77 8.25 -0.64 -4.96 115.22 107.99 1jeb n HIS 97 Ca -0.06 0.77 -0.37 0.00 -0.26 0.00 0.00 57.72 57.80 1jeb n HIS 97 Cb 0.63 -4.19 -0.10 0.00 1.12 0.00 0.00 29.99 27.45 1jeb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jeb s VAL 98 N -3.51 5.34 0.19 1.59 1.01 -0.17 -5.02 120.40 119.84 1jeb s VAL 98 Ca 0.24 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 1jeb s VAL 98 Cb -0.06 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1jeb s VAL 98 CO 0.79 0.33 1.54 -0.62 0.00 0.00 0.00 175.10 177.14 1jeb s ASP 99 N 1.15 6.59 0.66 3.32 2.15 -1.26 -4.74 116.67 124.53 1jeb s ASP 99 Ca 0.08 2.65 0.37 0.00 0.43 0.00 0.00 52.55 56.08 1jeb s ASP 99 Cb -0.14 -2.60 2.03 0.00 -0.30 0.00 0.00 42.92 41.91 1jeb s ASP 99 CO 0.05 -0.80 2.17 1.55 -0.17 0.00 0.00 175.17 177.97 1jeb h PRO 100 N 6.27 0.00 -0.38 4.34 0.13 -1.96 -1.89 132.00 138.51 1jeb h PRO 100 Ca -0.44 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1jeb h PRO 100 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1jeb h PRO 100 CO 0.87 0.00 0.26 1.49 -0.23 0.00 0.00 178.00 180.39 1jeb h GLU 101 N 0.00 0.25 0.00 0.86 4.57 -1.99 -0.00 114.58 118.27 1jeb h GLU 101 Ca 0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1jeb h GLU 101 Cb 0.31 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1jeb h GLU 101 CO -0.00 0.16 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.00 1jeb h ASN 102 N 0.25 0.00 -0.07 1.04 2.35 -1.71 -1.95 115.58 115.49 1jeb h ASN 102 Ca 0.17 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1jeb h ASN 102 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1jeb h ASN 102 CO -0.03 0.08 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.25 1jeb h PHE 103 N 0.00 0.62 -0.40 1.19 0.04 -1.16 -1.16 116.94 116.07 1jeb h PHE 103 Ca -0.00 -0.15 -0.15 0.00 2.80 0.00 0.00 57.97 60.46 1jeb h PHE 103 Cb 0.51 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1jeb h PHE 103 CO 0.00 0.79 -0.35 -0.09 -0.60 0.00 0.00 178.31 178.06 1jeb h ARG 104 N 0.47 0.94 -0.32 1.51 2.43 -1.38 -1.54 114.38 116.49 1jeb h ARG 104 Ca 0.06 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1jeb h ARG 104 Cb 0.77 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1jeb h ARG 104 CO 0.06 1.13 0.10 -0.07 -1.51 0.00 0.00 179.97 179.69 1jeb h LEU 105 N 0.78 0.46 -0.99 3.80 3.38 -1.17 -0.38 115.31 121.19 1jeb h LEU 105 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1jeb h LEU 105 Cb 0.94 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1jeb h LEU 105 CO 0.09 0.54 -0.13 0.25 0.09 0.00 0.00 178.44 179.28 1jeb h LEU 106 N 0.36 0.56 -0.90 1.67 5.85 -1.19 -0.79 115.31 120.88 1jeb h LEU 106 Ca 0.10 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1jeb h LEU 106 Cb 0.24 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1jeb h LEU 106 CO -0.00 0.72 0.59 1.23 -0.34 0.00 0.00 178.44 180.64 1jeb h GLY 107 N 0.96 1.28 1.49 3.75 0.00 -0.86 -1.25 103.07 108.44 1jeb h GLY 107 Ca 0.09 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1jeb h GLY 107 CO 0.03 0.42 -0.19 3.43 0.00 0.00 0.00 176.54 180.24 1jeb h ASN 108 N 1.17 0.60 -0.64 0.19 -0.26 -0.17 -2.33 115.58 114.15 1jeb h ASN 108 Ca 0.34 -0.19 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 1jeb h ASN 108 Cb -0.07 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.00 1jeb h ASN 108 CO -0.09 0.79 0.21 0.24 -1.06 0.00 0.00 177.43 177.52 1jeb h MET 109 N 0.54 0.99 -0.28 0.81 2.86 -0.30 -1.54 114.93 118.01 1jeb h MET 109 Ca 0.09 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1jeb h MET 109 Cb 0.63 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1jeb h MET 109 CO 0.04 0.86 0.13 0.82 1.06 0.00 0.00 176.91 179.82 1jeb h ILE 110 N 0.92 1.16 -0.80 -1.22 2.04 -1.06 -0.01 117.51 118.53 1jeb h ILE 110 Ca 0.21 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1jeb h ILE 110 Cb 0.28 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1jeb h ILE 110 CO -0.01 0.16 0.52 0.58 0.00 0.00 0.00 178.15 179.41 1jeb h VAL 111 N 0.32 1.16 -0.50 1.67 2.07 -1.28 0.13 116.25 119.81 1jeb h VAL 111 Ca 0.10 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1jeb h VAL 111 Cb 0.14 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1jeb h VAL 111 CO -0.01 0.19 -0.01 0.40 0.02 0.00 0.00 177.57 178.15 1jeb h ILE 112 N 1.03 1.26 -0.26 4.57 2.04 -1.01 -2.25 117.51 122.91 1jeb h ILE 112 Ca 0.31 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1jeb h ILE 112 Cb -0.05 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1jeb h ILE 112 CO -0.09 0.39 -0.26 0.58 0.00 0.00 0.00 178.15 178.77 1jeb h VAL 113 N 0.75 1.27 -0.77 1.67 2.07 -0.54 0.20 116.25 120.91 1jeb h VAL 113 Ca 0.14 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1jeb h VAL 113 Cb 0.54 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1jeb h VAL 113 CO 0.03 0.41 0.43 -0.07 0.02 0.00 0.00 177.57 178.39 1jeb h LEU 114 N 0.44 0.95 -0.46 2.57 3.38 -0.56 0.58 115.31 122.20 1jeb h LEU 114 Ca 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1jeb h LEU 114 Cb 0.68 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1jeb h LEU 114 CO 0.05 0.76 0.12 1.23 0.09 0.00 0.00 178.44 180.70 1jeb h GLY 115 N 1.06 0.79 0.71 0.83 0.00 -0.84 0.39 103.07 106.01 1jeb h GLY 115 Ca 0.27 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1jeb h GLY 115 CO -0.05 0.45 0.56 0.84 0.00 0.00 0.00 176.54 178.34 1jeb h HIS 116 N 0.62 1.03 0.12 5.60 6.17 -0.25 -1.25 115.15 127.18 1jeb h HIS 116 Ca 0.15 0.03 -0.29 0.00 0.71 0.00 0.00 60.37 60.97 1jeb h HIS 116 Cb 0.30 -0.33 -0.00 0.00 2.52 0.00 0.00 27.41 29.90 1jeb h HIS 116 CO 0.02 0.52 -1.39 0.45 0.71 0.00 0.00 177.93 178.24 1jeb h HIS 117 N 1.01 0.47 0.00 5.26 -0.00 -0.65 -3.38 115.15 117.85 1jeb h HIS 117 Ca 0.39 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1jeb h HIS 117 Cb 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1jeb h HIS 117 CO -0.03 1.33 -0.91 1.28 -0.00 0.00 0.00 177.93 179.60 1jeb n LEU 118 N -3.49 0.68 0.00 2.43 4.77 0.11 -5.03 117.00 116.46 1jeb n LEU 118 Ca -0.12 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1jeb n LEU 118 Cb 1.03 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1jeb n LEU 118 CO 0.52 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1jeb n GLY 119 N 1.31 3.10 0.40 -0.72 0.00 -0.48 -1.50 105.19 107.30 1jeb n GLY 119 Ca 0.02 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.16 1jeb n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jeb h LYS 120 N 0.00 0.00 0.00 1.61 5.09 -1.96 -0.09 116.57 121.22 1jeb h LYS 120 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.69 1jeb h LYS 120 Cb 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.32 1jeb h LYS 120 CO 0.00 0.00 -0.24 -0.44 -2.09 0.00 0.00 179.45 176.68 1jeb h ASP 121 N 0.00 0.00 -0.50 7.07 5.19 -1.67 -3.31 116.42 123.20 1jeb h ASP 121 Ca 0.23 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.93 1jeb h ASP 121 Cb 1.15 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.60 1jeb h ASP 121 CO -0.00 0.24 2.97 0.33 -3.12 0.00 0.00 179.24 179.66 1jeb n PHE 122 N -3.95 2.92 -0.87 4.55 7.35 -0.05 -4.87 117.46 122.55 1jeb n PHE 122 Ca -0.02 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 1jeb n PHE 122 Cb 0.32 -2.28 0.16 0.00 0.35 0.00 0.00 39.48 38.03 1jeb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jeb s THR 123 N 1.52 2.39 0.41 -2.13 -4.23 -1.25 -4.66 115.64 107.71 1jeb s THR 123 Ca 0.53 0.13 0.15 0.00 -1.18 0.00 0.00 61.69 61.32 1jeb s THR 123 Cb 0.15 -2.33 0.36 0.00 1.34 0.00 0.00 72.50 72.02 1jeb s THR 123 CO -0.06 -0.17 1.89 -0.65 -0.54 0.00 0.00 174.62 175.09 1jeb h PRO 124 N -1.83 0.44 -0.11 3.99 0.11 -1.94 0.22 132.00 132.89 1jeb h PRO 124 Ca -0.48 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.38 1jeb h PRO 124 Cb 1.28 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jeb h PRO 124 CO 0.48 0.29 -0.82 0.00 -0.21 0.00 0.00 178.00 177.73 1jeb h ALA 125 N 1.63 0.34 -0.73 -0.75 0.00 -1.98 -2.47 119.26 115.29 1jeb h ALA 125 Ca 0.41 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1jeb h ALA 125 Cb 0.93 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1jeb h ALA 125 CO -0.15 0.71 0.25 0.00 0.00 0.00 0.00 179.25 180.06 1jeb h ALA 126 N 0.61 1.06 -0.62 0.00 0.00 -1.42 -2.24 119.26 116.66 1jeb h ALA 126 Ca -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1jeb h ALA 126 Cb 1.45 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1jeb h ALA 126 CO 0.16 0.65 0.20 0.37 0.00 0.00 0.00 179.25 180.63 1jeb h GLN 127 N 1.08 0.95 -0.59 0.00 4.15 -0.99 -2.00 115.11 117.71 1jeb h GLN 127 Ca 0.24 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.51 1jeb h GLN 127 Cb 0.27 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1jeb h GLN 127 CO -0.01 0.84 0.31 0.00 -1.93 0.00 0.00 178.83 178.04 1jeb h ALA 128 N 1.07 0.77 0.46 3.38 0.00 -1.06 0.34 119.26 124.23 1jeb h ALA 128 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jeb h ALA 128 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jeb h ALA 128 CO -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.00 1jeb h ALA 129 N 1.31 -0.62 -0.21 0.00 0.00 -1.07 -2.32 119.26 116.35 1jeb h ALA 129 Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jeb h ALA 129 Cb 0.16 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jeb h ALA 129 CO -0.17 -0.82 0.14 0.74 0.00 0.00 0.00 179.25 179.14 1jeb h PHE 130 N -0.69 0.18 -0.70 0.00 0.04 -1.11 -1.65 116.94 113.01 1jeb h PHE 130 Ca -0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1jeb h PHE 130 Cb 0.51 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1jeb h PHE 130 CO -0.03 0.10 0.41 0.37 -0.60 0.00 0.00 178.31 178.56 1jeb h GLN 131 N 0.18 0.97 -0.72 1.51 5.75 0.10 0.64 115.11 123.55 1jeb h GLN 131 Ca 0.09 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1jeb h GLN 131 Cb 0.12 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1jeb h GLN 131 CO -0.02 0.70 0.21 0.87 -2.65 0.00 0.00 178.83 177.95 1jeb h LYS 132 N 0.96 1.11 0.53 1.69 1.57 -0.78 -0.17 116.57 121.49 1jeb h LYS 132 Ca 0.25 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1jeb h LYS 132 Cb 0.00 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.15 1jeb h LYS 132 CO -0.04 0.95 -0.25 0.28 -0.57 0.00 0.00 179.45 179.81 1jeb h VAL 133 N 1.07 0.46 -0.56 0.50 2.07 -1.05 -0.38 116.25 118.35 1jeb h VAL 133 Ca 0.23 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jeb h VAL 133 Cb 0.31 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1jeb h VAL 133 CO -0.01 0.02 0.36 0.58 0.02 0.00 0.00 177.57 178.54 1jeb h VAL 134 N -0.80 1.15 -0.50 2.57 2.07 -0.80 0.98 116.25 120.93 1jeb h VAL 134 Ca -0.07 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1jeb h VAL 134 Cb 0.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1jeb h VAL 134 CO 0.12 0.15 -0.18 0.00 0.02 0.00 0.00 177.57 177.68 1jeb h ALA 135 N 1.62 0.73 -0.45 1.67 0.00 -0.93 -1.65 119.26 120.25 1jeb h ALA 135 Ca 0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1jeb h ALA 135 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jeb h ALA 135 CO -0.04 0.67 0.20 0.78 0.00 0.00 0.00 179.25 180.86 1jeb h GLY 136 N 0.90 0.71 0.94 0.00 0.00 0.31 -1.13 103.07 104.81 1jeb h GLY 136 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1jeb h GLY 136 CO 0.06 0.35 0.14 -2.08 0.00 0.00 0.00 176.54 175.01 1jeb h VAL 137 N 0.59 1.14 -0.56 4.60 2.07 -0.73 -0.28 116.25 123.08 1jeb h VAL 137 Ca 0.15 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1jeb h VAL 137 Cb 0.15 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1jeb h VAL 137 CO -0.02 0.14 0.32 0.00 0.02 0.00 0.00 177.57 178.03 1jeb h ALA 138 N 1.01 0.72 -0.63 1.67 0.00 -1.11 -0.70 119.26 120.22 1jeb h ALA 138 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1jeb h ALA 138 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1jeb h ALA 138 CO -0.01 0.01 0.03 0.00 0.00 0.00 0.00 179.25 179.28 1jeb h ALA 139 N 1.27 0.84 -0.84 0.00 0.00 -1.04 -1.40 119.26 118.09 1jeb h ALA 139 Ca 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jeb h ALA 139 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1jeb h ALA 139 CO -0.12 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.25 1jeb h ALA 140 N 1.01 1.22 0.00 0.00 0.00 -0.52 0.51 119.26 121.47 1jeb h ALA 140 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1jeb h ALA 140 Cb 0.53 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jeb h ALA 140 CO 0.03 0.63 -0.36 -0.07 0.00 0.00 0.00 179.25 179.48 1jeb h LEU 141 N 1.18 0.00 0.00 0.00 3.38 -0.82 -3.10 115.31 115.94 1jeb h LEU 141 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1jeb h LEU 141 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jeb h LEU 141 CO -0.05 0.36 -0.90 0.00 0.09 0.00 0.00 178.44 177.94 1jeb n ALA 142 N -2.27 2.85 -1.67 1.53 0.00 -0.56 -4.53 120.51 115.87 1jeb n ALA 142 Ca 0.00 -0.28 -0.46 0.00 0.00 0.00 0.00 53.44 52.71 1jeb n ALA 142 Cb 0.52 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1jeb n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1jeb n HIS 143 N -2.32 2.42 -2.09 0.00 -0.00 0.11 -4.90 115.22 108.44 1jeb n HIS 143 Ca 0.01 -0.15 -0.41 0.00 -0.00 0.00 0.00 57.72 57.17 1jeb n HIS 143 Cb 0.49 -2.72 -0.03 0.00 -0.00 0.00 0.00 29.99 27.73 1jeb n HIS 143 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1jeb s LYS 144 N 4.04 4.31 7.56 1.57 -0.14 -1.26 -4.60 119.74 131.21 1jeb s LYS 144 Ca 0.90 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 57.71 1jeb s LYS 144 Cb -0.58 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 1jeb s LYS 144 CO 0.47 -0.38 0.00 0.98 -0.76 0.00 0.00 175.35 175.66 1jeb n TYR 145 N 2.77 0.00 1.27 3.18 9.36 -1.26 -5.15 117.16 127.32 1jeb n TYR 145 Ca 0.08 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.40 1jeb n TYR 145 Cb 0.41 0.00 0.60 0.00 -0.63 0.00 0.00 39.34 39.72 1jeb n TYR 145 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80