#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfj h ALA 2 N 0.00 -0.09 -1.84 -5.12 0.00 -2.08 -3.11 119.26 107.02 1jfj h ALA 2 Ca 0.00 -0.29 0.53 0.00 0.00 0.00 0.00 54.91 55.16 1jfj h ALA 2 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1jfj h ALA 2 CO 0.00 -0.22 1.34 1.05 0.00 0.00 0.00 179.25 181.42 1jfj h GLU 3 N -0.76 0.00 -0.96 0.00 4.11 -2.02 1.14 114.58 116.08 1jfj h GLU 3 Ca -0.01 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.66 1jfj h GLU 3 Cb 0.60 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.73 1jfj h GLU 3 CO 0.02 0.00 0.52 0.00 0.07 0.00 0.00 179.01 179.61 1jfj h ALA 4 N 1.05 1.66 -0.40 1.06 0.00 -1.98 0.08 119.26 120.74 1jfj h ALA 4 Ca 0.87 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.98 1jfj h ALA 4 Cb 3.55 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 21.33 1jfj h ALA 4 CO -0.01 -0.32 -0.55 -0.07 0.00 0.00 0.00 179.25 178.30 1jfj h LEU 5 N 0.49 -1.84 -1.95 0.00 4.07 0.12 0.83 115.31 117.03 1jfj h LEU 5 Ca 0.62 0.24 0.22 0.00 0.08 0.00 0.00 57.88 59.04 1jfj h LEU 5 Cb 1.19 0.75 -0.03 0.00 1.08 0.00 0.00 40.66 43.65 1jfj h LEU 5 CO -0.51 -0.41 0.55 0.15 -1.08 0.00 0.00 178.44 177.15 1jfj h PHE 6 N -0.40 0.05 -0.06 1.13 3.57 -1.15 0.55 116.94 120.63 1jfj h PHE 6 Ca 0.08 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.38 1jfj h PHE 6 Cb 0.60 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1jfj h PHE 6 CO -0.72 0.01 -0.79 -0.22 -2.23 0.00 0.00 178.31 174.37 1jfj h LYS 7 N 0.04 0.44 0.04 1.11 3.11 0.74 -3.21 116.57 118.84 1jfj h LYS 7 Ca 0.37 -0.39 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1jfj h LYS 7 Cb 1.42 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.74 1jfj h LYS 7 CO -0.02 1.03 -0.02 1.49 -2.81 0.00 0.00 179.45 179.12 1jfj h GLU 8 N 0.29 -0.05 -1.19 1.90 4.81 0.48 -2.65 114.58 118.16 1jfj h GLU 8 Ca -0.04 0.00 0.36 0.00 -0.13 0.00 0.00 59.36 59.55 1jfj h GLU 8 Cb 1.38 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.66 1jfj h GLU 8 CO 0.14 0.22 0.77 0.97 -0.73 0.00 0.00 179.01 180.38 1jfj h ILE 9 N -0.33 0.30 -0.24 2.32 -0.00 -1.19 -3.10 117.51 115.28 1jfj h ILE 9 Ca -0.01 -0.07 -0.50 0.00 -0.00 0.00 0.00 64.86 64.28 1jfj h ILE 9 Cb 0.30 0.07 0.01 0.00 -0.00 0.00 0.00 36.82 37.19 1jfj h ILE 9 CO 0.01 0.04 1.70 0.47 -0.00 0.00 0.00 178.15 180.37 1jfj n ASP 10 N -4.66 2.81 -0.18 2.19 9.92 -1.00 -4.70 116.55 120.93 1jfj n ASP 10 Ca 0.32 -2.69 -0.02 0.00 -0.53 0.00 0.00 54.79 51.87 1jfj n ASP 10 Cb 1.18 -1.42 0.06 0.00 -0.64 0.00 0.00 41.12 40.30 1jfj n ASP 10 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1jfj h VAL 11 N 5.31 0.48 -0.32 2.53 2.07 -1.79 1.18 116.25 125.71 1jfj h VAL 11 Ca 0.32 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1jfj h VAL 11 Cb 0.80 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jfj h VAL 11 CO 1.60 0.01 0.32 -0.55 0.02 0.00 0.00 177.57 178.97 1jfj h ASN 12 N 0.03 0.00 -4.76 0.57 -1.07 -1.90 -3.46 115.58 104.99 1jfj h ASN 12 Ca 0.27 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.46 1jfj h ASN 12 Cb 0.42 0.00 0.14 0.00 -2.07 0.00 0.00 38.32 36.81 1jfj h ASN 12 CO -0.54 0.00 -0.61 0.61 0.07 0.00 0.00 177.43 176.96 1jfj n GLY 13 N -1.47 -0.59 0.10 9.14 0.00 0.41 -4.98 105.19 107.81 1jfj n GLY 13 Ca 0.05 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1jfj n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 14 N -2.72 2.09 0.00 1.61 5.68 -1.26 -5.03 116.55 116.92 1jfj n ASP 14 Ca -0.05 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 1jfj n ASP 14 Cb 0.58 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 15 N 2.40 1.47 3.37 6.12 0.00 -1.26 -5.11 105.19 112.17 1jfj n GLY 15 Ca -0.35 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1jfj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfj s ALA 16 N -2.00 -1.25 0.20 4.61 0.00 -1.26 -4.04 121.76 118.02 1jfj s ALA 16 Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.33 1jfj s ALA 16 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1jfj s ALA 16 CO 0.00 -0.67 -0.22 0.08 0.00 0.00 0.00 175.76 174.96 1jfj s VAL 17 N -3.56 2.22 0.48 0.00 1.01 0.26 -4.84 120.40 115.96 1jfj s VAL 17 Ca 0.01 -2.07 0.03 0.00 0.00 0.00 0.00 61.98 59.94 1jfj s VAL 17 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1jfj s VAL 17 CO -0.11 -0.23 0.01 -0.94 0.00 0.00 0.00 175.10 173.83 1jfj s SER 18 N -2.84 4.06 0.20 3.32 1.04 -1.26 0.54 113.70 118.76 1jfj s SER 18 Ca 0.21 -1.56 -0.11 0.00 0.48 0.00 0.00 55.95 54.97 1jfj s SER 18 Cb -0.07 0.23 0.18 0.00 0.10 0.00 0.00 66.02 66.47 1jfj s SER 18 CO 0.10 -0.73 1.84 0.10 0.98 0.00 0.00 173.24 175.52 1jfj h TYR 19 N 1.48 0.75 -0.08 5.02 -0.00 -1.70 0.84 116.97 123.28 1jfj h TYR 19 Ca -0.44 0.02 -0.18 0.00 0.00 0.00 0.00 58.73 58.13 1jfj h TYR 19 Cb 1.29 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 37.77 1jfj h TYR 19 CO 1.27 0.42 -0.73 1.49 -0.00 0.00 0.00 178.16 180.61 1jfj h GLU 20 N 0.79 0.40 -0.26 0.10 4.81 -1.96 -1.41 114.58 117.04 1jfj h GLU 20 Ca 0.27 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1jfj h GLU 20 Cb 0.04 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1jfj h GLU 20 CO -0.12 0.97 -0.17 1.49 -0.73 0.00 0.00 179.01 180.46 1jfj h GLU 21 N 0.27 0.57 -0.46 1.92 4.81 -1.77 0.13 114.58 120.06 1jfj h GLU 21 Ca -0.03 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1jfj h GLU 21 Cb 1.31 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1jfj h GLU 21 CO 0.13 0.84 -0.06 -0.24 -0.73 0.00 0.00 179.01 178.95 1jfj h VAL 22 N 0.30 1.25 -0.11 0.32 3.04 0.68 -0.37 116.25 121.36 1jfj h VAL 22 Ca 0.05 -1.09 -0.13 0.00 -1.01 0.00 0.00 66.70 64.53 1jfj h VAL 22 Cb 0.69 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1jfj h VAL 22 CO 0.05 0.38 -0.48 0.07 -1.01 0.00 0.00 177.57 176.57 1jfj h LYS 23 N 0.72 0.29 -0.45 4.17 5.09 -1.11 -0.65 116.57 124.64 1jfj h LYS 23 Ca 0.13 -0.16 -0.13 0.00 0.09 0.00 0.00 60.65 60.58 1jfj h LYS 23 Cb 0.52 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.85 1jfj h LYS 23 CO 0.03 0.71 -0.23 0.00 -2.09 0.00 0.00 179.45 177.87 1jfj h ALA 24 N 1.26 0.63 0.11 0.07 0.00 -0.10 0.19 119.26 121.42 1jfj h ALA 24 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1jfj h ALA 24 Cb 0.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jfj h ALA 24 CO 0.08 0.63 -0.05 0.35 0.00 0.00 0.00 179.25 180.25 1jfj h PHE 25 N 0.79 -0.14 -0.52 0.00 3.04 -0.86 -2.88 116.94 116.36 1jfj h PHE 25 Ca 0.10 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1jfj h PHE 25 Cb 0.81 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.34 1jfj h PHE 25 CO 0.06 0.22 0.34 -0.24 -2.02 0.00 0.00 178.31 176.66 1jfj h VAL 26 N -0.51 1.15 -1.08 1.41 3.04 -1.13 -1.37 116.25 117.76 1jfj h VAL 26 Ca -0.02 -0.29 0.29 0.00 -1.01 0.00 0.00 66.70 65.68 1jfj h VAL 26 Cb 0.42 0.40 -0.08 0.00 -2.01 0.00 0.00 31.29 30.01 1jfj h VAL 26 CO 0.02 0.14 0.72 -1.28 -1.01 0.00 0.00 177.57 176.17 1jfj h SER 27 N 0.71 0.32 -1.54 3.17 0.87 -0.60 0.52 113.55 116.99 1jfj h SER 27 Ca 0.19 0.06 0.45 0.00 -1.23 0.00 0.00 61.79 61.26 1jfj h SER 27 Cb -0.05 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 1jfj h SER 27 CO -0.04 0.05 1.16 0.50 -0.53 0.00 0.00 176.83 177.97 1jfj h LYS 28 N 0.28 0.00 0.00 2.24 3.64 -1.02 -2.15 116.57 119.56 1jfj h LYS 28 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1jfj h LYS 28 Cb 1.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1jfj h LYS 28 CO -0.23 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.12 1jfj n LYS 29 N -3.96 0.00 -3.41 1.90 3.00 0.18 -5.04 118.16 110.84 1jfj n LYS 29 Ca 0.34 0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 58.54 1jfj n LYS 29 Cb 1.64 -0.66 -0.05 0.00 0.00 0.00 0.00 35.03 35.96 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1jfj n ARG 30 N -0.59 0.49 -3.03 1.64 1.74 -0.81 -5.10 116.66 111.01 1jfj n ARG 30 Ca 0.00 -2.06 -0.15 0.00 -0.77 0.00 0.00 57.85 54.87 1jfj n ARG 30 Cb 0.00 1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 32.83 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfj n ALA 31 N -1.72 2.11 -0.04 7.54 0.00 -1.26 -4.36 120.51 122.77 1jfj n ALA 31 Ca -0.08 -3.17 -0.17 0.00 0.00 0.00 0.00 53.44 50.02 1jfj n ALA 31 Cb 0.37 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 1jfj n ALA 31 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1jfj n ILE 32 N 0.19 1.64 0.00 0.00 0.13 -1.26 -4.86 119.36 115.20 1jfj n ILE 32 Ca 0.20 -0.68 0.00 0.00 -1.10 0.00 0.00 62.75 61.17 1jfj n ILE 32 Cb 0.70 -1.40 0.00 0.00 -0.84 0.00 0.00 39.64 38.11 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1jfj n LYS 33 N -3.27 0.00 0.16 9.51 4.76 -1.26 -5.00 118.16 123.06 1jfj n LYS 33 Ca -0.33 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.13 1jfj n LYS 33 Cb 1.05 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 34.50 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1jfj h ASN 34 N 0.00 0.00 0.63 4.39 -1.07 -1.89 -1.87 115.58 115.78 1jfj h ASN 34 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1jfj h ASN 34 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1jfj h ASN 34 CO 0.00 0.49 -0.50 -0.08 0.07 0.00 0.00 177.43 177.42 1jfj h GLU 35 N 0.00 -1.05 0.66 4.14 4.22 -1.94 0.50 114.58 121.10 1jfj h GLU 35 Ca -0.00 0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 1jfj h GLU 35 Cb 0.92 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1jfj h GLU 35 CO 0.06 -0.70 -0.32 0.37 -2.18 0.00 0.00 179.01 176.25 1jfj h GLN 36 N -1.09 -0.86 -0.85 1.92 4.15 -1.98 -0.93 115.11 115.48 1jfj h GLN 36 Ca -0.08 0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.51 1jfj h GLN 36 Cb 0.91 0.19 -0.13 0.00 0.21 0.00 0.00 27.48 28.66 1jfj h GLN 36 CO 0.01 -0.57 -0.47 1.25 -1.93 0.00 0.00 178.83 177.12 1jfj h LEU 37 N -1.10 -1.69 -0.65 -2.39 5.85 -1.39 1.01 115.31 114.94 1jfj h LEU 37 Ca -0.09 0.29 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1jfj h LEU 37 Cb 0.68 0.80 -0.09 0.00 0.37 0.00 0.00 40.66 42.42 1jfj h LEU 37 CO 0.15 -0.29 0.20 0.25 -0.34 0.00 0.00 178.44 178.41 1jfj h LEU 38 N -0.08 0.13 -1.38 2.25 7.12 -0.01 0.33 115.31 123.66 1jfj h LEU 38 Ca 0.23 0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.38 1jfj h LEU 38 Cb 0.53 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.74 1jfj h LEU 38 CO -0.87 0.06 0.44 1.56 -0.13 0.00 0.00 178.44 179.50 1jfj h GLN 39 N 0.34 0.78 0.56 1.25 4.20 0.22 0.22 115.11 122.69 1jfj h GLN 39 Ca 0.35 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1jfj h GLN 39 Cb 0.50 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.11 1jfj h GLN 39 CO -0.39 0.52 -0.27 1.25 -0.67 0.00 0.00 178.83 179.28 1jfj h LEU 40 N 0.81 -0.63 -0.46 1.46 5.85 0.37 -0.16 115.31 122.54 1jfj h LEU 40 Ca 0.26 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.10 1jfj h LEU 40 Cb 0.05 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 1jfj h LEU 40 CO -0.07 -0.34 -0.20 -0.29 -0.34 0.00 0.00 178.44 177.19 1jfj h ILE 41 N -0.97 0.38 -0.07 4.05 6.09 -0.75 0.09 117.51 126.32 1jfj h ILE 41 Ca -0.08 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.45 1jfj h ILE 41 Cb 0.57 0.38 -0.06 0.00 0.47 0.00 0.00 36.82 38.18 1jfj h ILE 41 CO 0.13 0.00 -0.41 0.15 -3.07 0.00 0.00 178.15 174.95 1jfj h PHE 42 N -0.11 -1.15 -0.79 2.19 3.04 -0.57 0.49 116.94 120.04 1jfj h PHE 42 Ca 0.22 0.04 0.23 0.00 3.98 0.00 0.00 57.97 62.44 1jfj h PHE 42 Cb 0.45 0.51 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 1jfj h PHE 42 CO -0.47 -0.47 0.57 -0.22 -2.02 0.00 0.00 178.31 175.69 1jfj h LYS 43 N -0.52 0.02 0.26 1.11 3.64 0.01 1.63 116.57 122.73 1jfj h LYS 43 Ca 0.06 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jfj h LYS 43 Cb 0.63 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1jfj h LYS 43 CO -0.35 0.01 -0.13 1.03 -2.27 0.00 0.00 179.45 177.74 1jfj h SER 44 N 0.02 -0.30 -0.35 4.20 0.87 0.14 -3.34 113.55 114.80 1jfj h SER 44 Ca 0.38 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.98 1jfj h SER 44 Cb 1.49 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 1jfj h SER 44 CO -0.01 0.06 0.13 0.16 -0.53 0.00 0.00 176.83 176.65 1jfj h ILE 45 N -0.91 0.92 -1.07 2.23 -0.00 0.63 -3.34 117.51 115.98 1jfj h ILE 45 Ca -0.04 -0.10 -0.35 0.00 -0.00 0.00 0.00 64.86 64.38 1jfj h ILE 45 Cb 0.27 0.61 -0.04 0.00 -0.00 0.00 0.00 36.82 37.65 1jfj h ILE 45 CO 0.06 0.05 0.90 -0.62 -0.00 0.00 0.00 178.15 178.55 1jfj s ASP 46 N -5.37 5.16 0.16 2.16 2.15 0.55 -4.74 116.67 116.74 1jfj s ASP 46 Ca -0.13 -0.38 0.01 0.00 0.43 0.00 0.00 52.55 52.48 1jfj s ASP 46 Cb 0.12 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1jfj s ASP 46 CO 0.71 -2.66 1.36 0.00 -0.17 0.00 0.00 175.17 174.41 1jfj h ALA 47 N 12.37 0.48 -0.02 3.66 0.00 -1.79 -3.26 119.26 130.70 1jfj h ALA 47 Ca -0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 1jfj h ALA 47 Cb 1.05 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jfj h ALA 47 CO 1.21 0.89 -0.38 0.38 0.00 0.00 0.00 179.25 181.35 1jfj h ASP 48 N 0.14 0.37 -0.54 0.00 3.04 -1.93 -3.48 116.42 114.02 1jfj h ASP 48 Ca -0.05 -0.73 0.00 0.00 -3.24 0.00 0.00 57.03 53.01 1jfj h ASP 48 Cb 1.52 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.70 1jfj h ASP 48 CO 0.14 1.05 0.00 0.61 -2.04 0.00 0.00 179.24 179.00 1jfj n GLY 49 N 0.95 0.98 0.06 7.15 0.00 -1.23 -4.97 105.19 108.12 1jfj n GLY 49 Ca -0.09 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.69 1jfj n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jfj n ASN 50 N 0.81 0.48 0.00 1.61 6.94 -1.26 -4.89 115.26 118.96 1jfj n ASN 50 Ca 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 54.58 55.05 1jfj n ASN 50 Cb 0.27 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jfj n GLY 51 N 1.39 1.26 3.44 4.83 0.00 -1.26 -4.98 105.19 109.87 1jfj n GLY 51 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1jfj n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jfj s GLU 52 N -0.00 1.63 0.35 1.61 2.02 -1.26 -1.73 118.70 121.32 1jfj s GLU 52 Ca 0.00 -1.90 -0.13 0.00 0.02 0.00 0.00 54.97 52.95 1jfj s GLU 52 Cb 0.00 -0.79 0.03 0.00 0.10 0.00 0.00 34.13 33.47 1jfj s GLU 52 CO 0.00 -0.21 0.68 0.96 0.02 0.00 0.00 175.26 176.72 1jfj s ILE 53 N -3.35 0.00 0.42 -1.63 -4.36 0.19 -4.95 121.20 107.52 1jfj s ILE 53 Ca 0.36 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1jfj s ILE 53 Cb 0.09 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1jfj s ILE 53 CO 0.15 0.00 0.00 -0.90 0.24 0.00 0.00 174.94 174.44 1jfj n ASP 54 N -1.17 3.16 0.17 4.36 5.68 -1.26 -0.58 116.55 126.91 1jfj n ASP 54 Ca -0.05 -2.83 0.06 0.00 -0.50 0.00 0.00 54.79 51.47 1jfj n ASP 54 Cb 0.60 0.29 0.55 0.00 -1.14 0.00 0.00 41.12 41.42 1jfj n ASP 54 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1jfj h GLN 55 N 0.00 0.18 0.58 0.11 3.07 -1.93 0.22 115.11 117.34 1jfj h GLN 55 Ca -0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.35 1jfj h GLN 55 Cb 1.05 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 28.58 1jfj h GLN 55 CO 0.58 0.15 -0.28 -0.97 0.09 0.00 0.00 178.83 178.40 1jfj h ASN 56 N 0.19 -0.66 -0.43 0.06 -0.73 -1.95 -0.31 115.58 111.75 1jfj h ASN 56 Ca 0.05 0.02 0.10 0.00 1.87 0.00 0.00 56.30 58.34 1jfj h ASN 56 Cb 0.03 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 1jfj h ASN 56 CO -0.01 -0.27 0.30 -0.33 -0.37 0.00 0.00 177.43 176.76 1jfj h GLU 57 N -1.19 0.12 0.00 6.67 5.08 -1.89 -1.24 114.58 122.13 1jfj h GLU 57 Ca -0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1jfj h GLU 57 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jfj h GLU 57 CO 0.13 0.08 -0.00 0.35 -1.00 0.00 0.00 179.01 178.57 1jfj h PHE 58 N 0.12 -0.00 -0.42 4.33 3.57 -0.49 0.41 116.94 124.47 1jfj h PHE 58 Ca 0.20 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1jfj h PHE 58 Cb 0.64 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1jfj h PHE 58 CO -0.00 0.42 0.14 0.00 -2.23 0.00 0.00 178.31 176.63 1jfj h ALA 59 N 0.57 0.49 -0.44 2.41 0.00 -0.11 0.22 119.26 122.39 1jfj h ALA 59 Ca -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1jfj h ALA 59 Cb 0.42 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jfj h ALA 59 CO 0.00 -0.26 -0.13 0.87 0.00 0.00 0.00 179.25 179.74 1jfj h LYS 60 N 0.30 0.82 -0.68 0.00 1.57 -1.25 -2.67 116.57 114.65 1jfj h LYS 60 Ca 0.20 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1jfj h LYS 60 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1jfj h LYS 60 CO -0.21 0.90 0.40 0.35 -0.57 0.00 0.00 179.45 180.33 1jfj h PHE 61 N 0.73 0.90 -1.82 -1.35 3.57 0.12 -1.43 116.94 117.66 1jfj h PHE 61 Ca 0.12 -0.00 0.54 0.00 3.53 0.00 0.00 57.97 62.16 1jfj h PHE 61 Cb 0.63 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.99 1jfj h PHE 61 CO 0.03 0.60 1.29 -0.92 -2.23 0.00 0.00 178.31 177.09 1jfj h TYR 62 N 0.94 0.09 0.00 0.41 5.03 -0.25 -3.34 116.97 119.85 1jfj h TYR 62 Ca 0.24 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.56 1jfj h TYR 62 Cb -0.02 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.24 1jfj h TYR 62 CO 0.00 -0.04 0.00 0.41 -1.32 0.00 0.00 178.16 177.21 1jfj n GLY 63 N -1.85 -1.85 2.67 1.82 0.00 -0.85 -5.06 105.19 100.08 1jfj n GLY 63 Ca 0.42 0.97 -0.08 0.00 0.00 0.00 0.00 46.02 47.34 1jfj n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jfj n SER 64 N 0.00 1.93 -2.76 1.61 3.41 -0.60 -4.92 113.62 112.29 1jfj n SER 64 Ca 0.00 -2.61 -0.06 0.00 -0.26 0.00 0.00 58.87 55.93 1jfj n SER 64 Cb 0.00 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfj n ILE 65 N -0.31 -0.02 -3.17 -1.33 0.00 -1.26 -5.00 119.36 108.26 1jfj n ILE 65 Ca 0.13 -1.30 -0.45 0.00 0.00 0.00 0.00 62.75 61.12 1jfj n ILE 65 Cb 0.81 1.20 -0.01 0.00 0.00 0.00 0.00 39.64 41.63 1jfj n ILE 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jfj s GLN 66 N 0.76 3.80 0.00 9.51 -2.07 -1.26 -4.94 119.66 125.46 1jfj s GLN 66 Ca 0.31 -2.46 0.00 0.00 -1.82 0.00 0.00 55.36 51.39 1jfj s GLN 66 Cb 0.12 -4.67 0.00 0.00 -1.09 0.00 0.00 33.01 27.37 1jfj s GLN 66 CO -0.15 -1.47 0.00 0.41 -1.32 0.00 0.00 175.29 172.76 1jfj n GLY 67 N 4.11 5.28 3.55 2.60 0.00 -1.26 -5.19 105.19 114.28 1jfj n GLY 67 Ca 0.22 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1jfj n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jfj s GLN 68 N 3.83 1.81 1.07 1.61 -2.07 -1.26 -5.17 119.66 119.48 1jfj s GLN 68 Ca 0.00 -1.56 -0.17 0.00 -1.82 0.00 0.00 55.36 51.82 1jfj s GLN 68 Cb 0.00 0.47 0.23 0.00 -1.09 0.00 0.00 33.01 32.62 1jfj s GLN 68 CO 0.00 -0.76 1.19 -0.51 -1.32 0.00 0.00 175.29 173.89 1jfj s ASP 69 N -3.14 2.13 -1.54 12.60 1.11 -1.26 -4.88 116.67 121.68 1jfj s ASP 69 Ca 0.26 0.56 -0.10 0.00 0.18 0.00 0.00 52.55 53.45 1jfj s ASP 69 Cb -0.01 -0.79 -0.03 0.00 1.07 0.00 0.00 42.92 43.16 1jfj s ASP 69 CO 0.15 -3.37 2.70 -0.11 1.18 0.00 0.00 175.17 175.73 1jfj n LEU 70 N -4.24 8.21 0.02 1.23 7.94 -1.26 -4.52 117.00 124.38 1jfj n LEU 70 Ca 0.13 -4.39 -0.16 0.00 -1.11 0.00 0.00 56.01 50.47 1jfj n LEU 70 Cb 0.59 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.93 1jfj n LEU 70 CO 0.47 1.84 0.22 -1.28 -1.11 0.00 0.00 177.39 177.53 1jfj h SER 71 N 5.20 0.80 -0.95 1.96 0.87 -2.00 -3.02 113.55 116.41 1jfj h SER 71 Ca 0.77 -0.58 0.28 0.00 -1.23 0.00 0.00 61.79 61.03 1jfj h SER 71 Cb 0.37 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1jfj h SER 71 CO 1.77 1.37 0.69 -2.24 -0.53 0.00 0.00 176.83 177.89 1jfj h ASP 72 N 0.41 0.00 0.28 6.23 2.03 -1.98 0.93 116.42 124.33 1jfj h ASP 72 Ca -0.07 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.21 1jfj h ASP 72 Cb 1.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.00 1jfj h ASP 72 CO 0.17 0.00 -0.13 -0.78 -1.03 0.00 0.00 179.24 177.46 1jfj h ASP 73 N 0.00 -0.32 -0.32 4.15 3.58 -1.90 -1.47 116.42 120.14 1jfj h ASP 73 Ca 0.45 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.64 1jfj h ASP 73 Cb 1.83 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 1jfj h ASP 73 CO -0.00 -0.03 -0.21 0.11 -2.88 0.00 0.00 179.24 176.23 1jfj h LYS 74 N -0.62 0.80 -0.80 0.28 1.79 -0.71 -2.46 116.57 114.86 1jfj h LYS 74 Ca -0.04 -0.32 0.14 0.00 -2.18 0.00 0.00 60.65 58.25 1jfj h LYS 74 Cb 0.44 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.00 1jfj h LYS 74 CO 0.06 0.94 0.53 0.82 -1.08 0.00 0.00 179.45 180.72 1jfj h ILE 75 N 0.70 0.83 0.80 1.86 1.08 0.82 0.11 117.51 123.71 1jfj h ILE 75 Ca 0.10 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 1jfj h ILE 75 Cb 0.73 0.24 0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1jfj h ILE 75 CO 0.06 0.10 -0.38 1.23 -0.69 0.00 0.00 178.15 178.46 1jfj h GLY 76 N 0.54 -1.12 1.39 5.37 0.00 -0.77 0.10 103.07 108.58 1jfj h GLY 76 Ca 0.39 0.41 0.09 0.00 0.00 0.00 0.00 47.33 48.22 1jfj h GLY 76 CO -0.15 -0.41 0.22 1.41 0.00 0.00 0.00 176.54 177.62 1jfj h LEU 77 N -1.19 0.02 0.12 3.11 4.07 -1.33 -0.83 115.31 119.28 1jfj h LEU 77 Ca -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1jfj h LEU 77 Cb 0.83 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1jfj h LEU 77 CO 0.18 0.01 -0.06 0.11 -1.08 0.00 0.00 178.44 177.61 1jfj h LYS 78 N 0.02 -0.15 -0.66 1.13 1.57 -0.42 0.19 116.57 118.25 1jfj h LYS 78 Ca 0.15 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1jfj h LYS 78 Cb 0.56 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1jfj h LYS 78 CO -0.01 0.13 0.34 0.28 -0.57 0.00 0.00 179.45 179.62 1jfj h VAL 79 N -0.43 0.90 -0.01 0.50 2.07 0.33 0.22 116.25 119.83 1jfj h VAL 79 Ca -0.02 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jfj h VAL 79 Cb 0.35 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1jfj h VAL 79 CO 0.03 0.11 0.01 -0.07 0.02 0.00 0.00 177.57 177.67 1jfj h LEU 80 N 0.60 0.02 -0.35 2.57 4.07 -1.05 0.33 115.31 121.50 1jfj h LEU 80 Ca 0.31 -0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.30 1jfj h LEU 80 Cb 0.27 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.93 1jfj h LEU 80 CO -0.23 0.06 -0.17 0.22 -1.08 0.00 0.00 178.44 177.25 1jfj h TYR 81 N -0.03 -0.41 -0.26 1.13 3.20 0.34 0.12 116.97 121.07 1jfj h TYR 81 Ca 0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1jfj h TYR 81 Cb 0.05 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1jfj h TYR 81 CO -0.06 -0.24 -0.13 1.57 -1.64 0.00 0.00 178.16 177.66 1jfj h LYS 82 N -0.11 0.43 -0.74 1.82 5.09 -0.78 -2.33 116.57 119.96 1jfj h LYS 82 Ca 0.18 -0.12 0.05 0.00 0.09 0.00 0.00 60.65 60.85 1jfj h LYS 82 Cb 0.38 -0.05 -0.05 0.00 0.10 0.00 0.00 32.23 32.60 1jfj h LYS 82 CO -0.42 0.56 0.44 -0.07 -2.09 0.00 0.00 179.45 177.87 1jfj h LEU 83 N 0.40 0.68 -1.32 7.07 4.07 0.21 -0.65 115.31 125.77 1jfj h LEU 83 Ca 0.08 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1jfj h LEU 83 Cb 0.47 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1jfj h LEU 83 CO 0.03 0.44 0.12 0.24 -1.08 0.00 0.00 178.44 178.19 1jfj h MET 84 N 0.81 0.58 -5.10 1.13 2.86 -0.48 -3.31 114.93 111.42 1jfj h MET 84 Ca 0.32 -0.09 -0.63 0.00 -2.06 0.00 0.00 59.70 57.24 1jfj h MET 84 Cb 0.15 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1jfj h MET 84 CO -0.16 0.52 2.29 -0.25 1.06 0.00 0.00 176.91 180.36 1jfj n ASP 85 N -4.34 4.02 0.27 1.22 8.00 -0.25 -4.66 116.55 120.81 1jfj n ASP 85 Ca 0.02 -2.83 0.14 0.00 0.71 0.00 0.00 54.79 52.84 1jfj n ASP 85 Cb 0.18 -1.64 0.71 0.00 -0.02 0.00 0.00 41.12 40.34 1jfj n ASP 85 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1jfj h VAL 86 N 5.10 0.37 -0.03 2.53 3.04 -1.75 -2.52 116.25 122.98 1jfj h VAL 86 Ca 0.44 -0.61 -0.14 0.00 -1.01 0.00 0.00 66.70 65.38 1jfj h VAL 86 Cb 0.79 1.45 0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1jfj h VAL 86 CO 1.60 0.10 -0.52 -2.24 -1.01 0.00 0.00 177.57 175.50 1jfj h ASP 87 N 0.00 0.51 -0.37 3.17 3.04 -1.92 -3.49 116.42 117.35 1jfj h ASP 87 Ca -0.00 -0.72 0.00 0.00 -3.24 0.00 0.00 57.03 53.06 1jfj h ASP 87 Cb 0.44 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 1jfj h ASP 87 CO 0.01 1.16 0.00 0.61 -2.04 0.00 0.00 179.24 178.99 1jfj n GLY 88 N 0.95 0.59 1.14 7.15 0.00 -0.95 -5.08 105.19 109.00 1jfj n GLY 88 Ca -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1jfj n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 89 N -0.09 0.48 0.00 1.61 5.68 -1.26 -5.06 116.55 117.91 1jfj n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jfj n ASP 89 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 90 N 2.35 2.00 3.18 6.12 0.00 -1.26 -5.11 105.19 112.47 1jfj n GLY 90 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jfj n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jfj s LYS 91 N -0.77 0.65 0.10 1.61 -2.85 -1.26 -2.96 119.74 114.26 1jfj s LYS 91 Ca 0.00 -0.49 0.03 0.00 -1.00 0.00 0.00 55.97 54.51 1jfj s LYS 91 Cb 0.00 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1jfj s LYS 91 CO 0.00 -0.18 -0.09 -1.17 0.10 0.00 0.00 175.35 174.01 1jfj s LEU 92 N -1.79 2.45 0.49 2.77 0.20 0.56 -4.82 118.68 118.54 1jfj s LEU 92 Ca -0.09 -0.88 0.02 0.00 0.69 0.00 0.00 54.13 53.87 1jfj s LEU 92 Cb -0.03 -0.22 -0.02 0.00 -0.43 0.00 0.00 46.19 45.49 1jfj s LEU 92 CO -0.01 -0.34 0.01 0.42 -0.29 0.00 0.00 176.35 176.15 1jfj s THR 93 N -2.88 1.32 0.25 3.68 -4.23 -1.26 0.29 115.64 112.80 1jfj s THR 93 Ca 0.08 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1jfj s THR 93 Cb 0.00 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1jfj s THR 93 CO -0.02 0.00 1.65 0.50 -0.54 0.00 0.00 174.62 176.22 1jfj h LYS 94 N 1.41 0.56 -0.08 3.99 3.11 -1.90 0.42 116.57 124.07 1jfj h LYS 94 Ca -0.44 -0.24 -0.16 0.00 -2.81 0.00 0.00 60.65 57.00 1jfj h LYS 94 Cb 1.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 1jfj h LYS 94 CO 0.75 0.80 -0.64 0.93 -2.81 0.00 0.00 179.45 178.48 1jfj h GLU 95 N 0.48 0.32 0.11 1.90 3.07 -1.96 -1.20 114.58 117.29 1jfj h GLU 95 Ca 0.06 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1jfj h GLU 95 Cb 0.78 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1jfj h GLU 95 CO 0.06 0.85 -0.05 1.49 -1.40 0.00 0.00 179.01 179.96 1jfj h GLU 96 N 0.23 -0.14 -0.25 2.33 4.81 -1.88 0.31 114.58 119.99 1jfj h GLU 96 Ca -0.01 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1jfj h GLU 96 Cb 1.17 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1jfj h GLU 96 CO 0.10 0.34 0.04 -0.24 -0.73 0.00 0.00 179.01 178.53 1jfj h VAL 97 N -0.73 0.88 -0.03 0.32 3.04 -0.97 0.46 116.25 119.22 1jfj h VAL 97 Ca -0.01 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 1jfj h VAL 97 Cb 0.54 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1jfj h VAL 97 CO 0.02 0.03 -0.33 0.00 -1.01 0.00 0.00 177.57 176.28 1jfj h THR 98 N 0.14 1.25 -0.21 3.17 1.03 -1.27 0.18 112.91 117.19 1jfj h THR 98 Ca 0.12 -1.20 -0.02 0.00 -0.01 0.00 0.00 66.41 65.30 1jfj h THR 98 Cb 0.12 1.60 -0.01 0.00 -1.07 0.00 0.00 68.15 68.79 1jfj h THR 98 CO -0.16 0.35 0.08 0.28 -0.01 0.00 0.00 175.52 176.06 1jfj h SER 99 N 0.05 0.31 0.07 0.00 0.02 0.10 0.32 113.55 114.42 1jfj h SER 99 Ca 0.01 -0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.54 1jfj h SER 99 Cb 0.62 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1jfj h SER 99 CO 0.05 0.41 -0.86 -0.26 -1.14 0.00 0.00 176.83 175.03 1jfj h PHE 100 N 0.18 0.86 -0.05 3.45 -1.00 -0.73 -3.16 116.94 116.50 1jfj h PHE 100 Ca 0.07 -0.42 -0.08 0.00 2.81 0.00 0.00 57.97 60.36 1jfj h PHE 100 Cb 0.21 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1jfj h PHE 100 CO -0.00 1.23 -0.32 0.74 -1.61 0.00 0.00 178.31 178.34 1jfj h PHE 101 N 0.39 0.10 -1.13 -0.55 -1.00 -0.54 -2.72 116.94 111.48 1jfj h PHE 101 Ca -0.07 -0.02 0.34 0.00 2.81 0.00 0.00 57.97 61.03 1jfj h PHE 101 Cb 1.48 -0.02 -0.12 0.00 3.61 0.00 0.00 35.95 40.90 1jfj h PHE 101 CO 0.08 0.41 0.71 -0.22 -1.61 0.00 0.00 178.31 177.67 1jfj h LYS 102 N 0.08 0.26 -0.99 1.51 3.64 -0.33 1.45 116.57 122.19 1jfj h LYS 102 Ca 0.01 -0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1jfj h LYS 102 Cb 0.62 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.28 1jfj h LYS 102 CO 0.04 0.17 0.61 -0.22 -2.27 0.00 0.00 179.45 177.79 1jfj h LYS 103 N 0.27 0.67 0.33 1.90 3.64 -1.64 -1.70 116.57 120.04 1jfj h LYS 103 Ca 0.71 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 60.04 1jfj h LYS 103 Cb 1.93 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1jfj h LYS 103 CO -0.43 0.44 -0.16 1.25 -2.27 0.00 0.00 179.45 178.29 1jfj h HIS 104 N 0.69 -0.41 0.00 1.91 2.76 0.18 -3.48 115.15 116.80 1jfj h HIS 104 Ca 0.57 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.73 1jfj h HIS 104 Cb 0.98 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1jfj h HIS 104 CO -0.00 -0.10 0.00 0.41 -1.30 0.00 0.00 177.93 176.94 1jfj n GLY 105 N 0.26 1.39 3.58 5.26 0.00 -0.64 -5.04 105.19 109.99 1jfj n GLY 105 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1jfj n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jfj s ILE 106 N -0.72 3.83 0.24 -0.61 2.07 -1.26 -4.67 121.20 120.07 1jfj s ILE 106 Ca 0.00 -1.41 0.11 0.00 -1.41 0.00 0.00 60.65 57.95 1jfj s ILE 106 Cb 0.00 -4.88 -0.02 0.00 0.13 0.00 0.00 42.46 37.69 1jfj s ILE 106 CO 0.00 -1.50 1.60 1.05 -1.91 0.00 0.00 174.94 174.18 1jfj h GLU 107 N 8.68 0.00 -1.32 3.50 9.09 -1.92 -2.99 114.58 129.61 1jfj h GLU 107 Ca 0.33 0.00 0.38 0.00 0.05 0.00 0.00 59.36 60.12 1jfj h GLU 107 Cb 0.91 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.95 1jfj h GLU 107 CO 1.34 0.61 0.95 1.57 0.05 0.00 0.00 179.01 183.53 1jfj h LYS 108 N 0.00 0.02 -1.05 1.06 2.10 -2.01 0.75 116.57 117.45 1jfj h LYS 108 Ca -0.01 -0.00 0.29 0.00 -2.00 0.00 0.00 60.65 58.93 1jfj h LYS 108 Cb 1.12 -0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.33 1jfj h LYS 108 CO 0.08 0.01 0.64 -0.24 -2.00 0.00 0.00 179.45 177.94 1jfj h VAL 109 N 0.02 0.43 -0.84 0.07 3.04 -1.92 1.37 116.25 118.43 1jfj h VAL 109 Ca 0.64 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 66.17 1jfj h VAL 109 Cb 2.51 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 31.73 1jfj h VAL 109 CO -0.03 0.08 0.45 0.00 -1.01 0.00 0.00 177.57 177.05 1jfj h ALA 110 N 1.71 1.20 -0.63 3.17 0.00 0.29 0.39 119.26 125.40 1jfj h ALA 110 Ca 0.67 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 1jfj h ALA 110 Cb 1.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1jfj h ALA 110 CO -0.45 0.63 0.02 1.49 0.00 0.00 0.00 179.25 180.95 1jfj h GLU 111 N 1.18 1.09 -0.14 0.00 4.57 0.17 0.21 114.58 121.66 1jfj h GLU 111 Ca 0.30 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1jfj h GLU 111 Cb 0.05 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1jfj h GLU 111 CO -0.05 1.05 -0.55 1.96 -1.18 0.00 0.00 179.01 180.24 1jfj h GLN 112 N 1.00 0.40 -0.10 1.92 1.08 -0.38 -0.43 115.11 118.59 1jfj h GLN 112 Ca 0.18 -0.25 -0.17 0.00 -1.45 0.00 0.00 58.65 56.96 1jfj h GLN 112 Cb 0.54 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1jfj h GLN 112 CO 0.03 0.85 -0.64 0.28 -0.95 0.00 0.00 178.83 178.39 1jfj h VAL 113 N 0.31 1.37 -0.16 -0.54 2.07 0.05 0.46 116.25 119.81 1jfj h VAL 113 Ca 0.01 -2.00 -0.19 0.00 0.82 0.00 0.00 66.70 65.34 1jfj h VAL 113 Cb 1.06 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1jfj h VAL 113 CO 0.09 0.60 -0.68 -0.03 0.02 0.00 0.00 177.57 177.58 1jfj h MET 114 N 0.28 0.63 -0.01 1.57 1.85 -0.40 -0.83 114.93 118.03 1jfj h MET 114 Ca -0.01 -0.47 -0.17 0.00 -0.61 0.00 0.00 59.70 58.43 1jfj h MET 114 Cb 1.18 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 33.28 1jfj h MET 114 CO 0.11 1.09 -0.78 0.87 -0.40 0.00 0.00 176.91 177.80 1jfj h LYS 115 N 0.45 0.11 -0.29 0.39 1.57 -1.01 -3.12 116.57 114.67 1jfj h LYS 115 Ca -0.02 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.47 1jfj h LYS 115 Cb 1.27 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1jfj h LYS 115 CO 0.13 0.83 -0.53 0.00 -0.57 0.00 0.00 179.45 179.32 1jfj h ALA 116 N 1.13 0.51 0.00 3.86 0.00 -0.81 -3.33 119.26 120.62 1jfj h ALA 116 Ca -0.02 -0.51 -0.69 0.00 0.00 0.00 0.00 54.91 53.70 1jfj h ALA 116 Cb 1.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jfj h ALA 116 CO 0.11 0.68 2.85 -3.47 0.00 0.00 0.00 179.25 179.43 1jfj n ASP 117 N -4.01 3.50 -2.23 0.00 2.03 -0.32 -4.71 116.55 110.80 1jfj n ASP 117 Ca -0.04 -2.77 -0.21 0.00 0.52 0.00 0.00 54.79 52.29 1jfj n ASP 117 Cb 0.62 -1.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj n ALA 118 N 6.51 6.08 -0.06 -1.67 0.00 -1.25 -3.96 120.51 126.16 1jfj n ALA 118 Ca 0.52 -2.40 -0.12 0.00 0.00 0.00 0.00 53.44 51.43 1jfj n ALA 118 Cb 0.39 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 1jfj n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jfj n ASN 119 N 1.13 1.10 0.00 0.00 4.13 -1.26 -5.07 115.26 115.28 1jfj n ASN 119 Ca 0.42 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.80 1jfj n ASN 119 Cb 0.63 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jfj n GLY 120 N 2.32 0.69 1.94 7.41 0.00 -1.25 -5.06 105.19 111.25 1jfj n GLY 120 Ca -0.23 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1jfj n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 121 N 0.00 -0.01 0.00 1.61 5.75 -1.26 -5.05 116.55 117.59 1jfj n ASP 121 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1jfj n ASP 121 Cb 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 122 N 1.59 0.86 3.27 6.12 0.00 -1.26 -5.08 105.19 110.69 1jfj n GLY 122 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1jfj n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jfj s TYR 123 N -2.00 1.50 0.14 1.61 1.51 -1.26 -3.37 117.35 115.49 1jfj s TYR 123 Ca 0.00 -1.50 -0.22 0.00 -1.01 0.00 0.00 57.07 54.35 1jfj s TYR 123 Cb 0.00 -0.69 0.06 0.00 -0.11 0.00 0.00 41.96 41.22 1jfj s TYR 123 CO 0.00 -0.71 0.56 -1.50 -1.11 0.00 0.00 175.55 172.79 1jfj s ILE 124 N -3.74 0.01 0.21 2.71 2.07 0.14 -4.91 121.20 117.70 1jfj s ILE 124 Ca 0.39 -0.12 0.09 0.00 -1.41 0.00 0.00 60.65 59.60 1jfj s ILE 124 Cb 0.05 -1.03 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 1jfj s ILE 124 CO 0.20 -0.06 -0.18 0.42 -1.91 0.00 0.00 174.94 173.41 1jfj s THR 125 N -3.63 1.99 0.51 4.00 -4.23 -1.26 -0.33 115.64 112.70 1jfj s THR 125 Ca 0.01 -2.17 0.17 0.00 -1.18 0.00 0.00 61.69 58.52 1jfj s THR 125 Cb -0.00 -2.06 0.30 0.00 1.34 0.00 0.00 72.50 72.07 1jfj s THR 125 CO -0.12 -0.44 2.11 0.17 -0.54 0.00 0.00 174.62 175.80 1jfj h LEU 126 N 2.71 0.04 0.02 4.79 -0.00 -1.90 0.94 115.31 121.92 1jfj h LEU 126 Ca -0.40 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1jfj h LEU 126 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1jfj h LEU 126 CO 0.58 0.03 -0.01 -0.08 -0.00 0.00 0.00 178.44 178.95 1jfj h GLU 127 N 0.05 -0.03 -0.34 0.17 4.57 -1.95 -1.00 114.58 116.05 1jfj h GLU 127 Ca 0.07 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1jfj h GLU 127 Cb 0.22 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1jfj h GLU 127 CO -0.01 0.51 -0.25 1.49 -1.18 0.00 0.00 179.01 179.58 1jfj h GLU 128 N -0.59 0.69 -0.40 1.92 4.81 -1.77 -1.32 114.58 117.93 1jfj h GLU 128 Ca -0.00 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1jfj h GLU 128 Cb 0.55 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1jfj h GLU 128 CO 0.00 0.87 0.13 0.35 -0.73 0.00 0.00 179.01 179.64 1jfj h PHE 129 N 0.60 0.64 -0.28 0.92 3.57 0.87 0.31 116.94 123.58 1jfj h PHE 129 Ca 0.08 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1jfj h PHE 129 Cb 0.74 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1jfj h PHE 129 CO 0.03 0.59 0.07 1.25 -2.23 0.00 0.00 178.31 178.03 1jfj h LEU 130 N 0.50 0.42 -1.65 0.59 5.85 -1.05 -1.68 115.31 118.29 1jfj h LEU 130 Ca 0.13 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1jfj h LEU 130 Cb 0.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1jfj h LEU 130 CO -0.01 0.53 0.25 -0.08 -0.34 0.00 0.00 178.44 178.79 1jfj h GLU 131 N 0.28 0.46 0.00 1.25 4.81 -1.07 -0.55 114.58 119.76 1jfj h GLU 131 Ca 0.09 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1jfj h GLU 131 Cb 0.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1jfj h GLU 131 CO -0.00 0.31 -0.53 0.35 -0.73 0.00 0.00 179.01 178.41 1jfj h PHE 132 N 0.48 0.00 -0.79 0.92 3.57 -0.44 -2.89 116.94 117.79 1jfj h PHE 132 Ca 0.14 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.80 1jfj h PHE 132 Cb -0.02 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1jfj h PHE 132 CO -0.00 0.53 0.53 1.03 -2.23 0.00 0.00 178.31 178.17 1jfj h SER 133 N 0.00 0.38 0.00 0.41 0.87 -0.17 -3.51 113.55 111.53 1jfj h SER 133 Ca -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1jfj h SER 133 Cb 0.96 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1jfj h SER 133 CO 0.07 0.19 0.00 -0.11 -0.53 0.00 0.00 176.83 176.44