#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 -0.80 -0.00 3.04 0.00 -2.06 -2.84 119.26 116.60 1jfj h ALA 2 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1jfj h ALA 2 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jfj h ALA 2 CO 0.00 -0.83 -0.23 1.49 0.00 0.00 0.00 179.25 179.68 1jfj h GLU 3 N -1.02 0.00 -0.99 0.00 4.81 -1.99 -2.17 114.58 113.21 1jfj h GLU 3 Ca -0.08 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1jfj h GLU 3 Cb 0.67 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 1jfj h GLU 3 CO 0.13 0.23 0.62 0.00 -0.73 0.00 0.00 179.01 179.26 1jfj h ALA 4 N 1.77 1.65 0.36 2.92 0.00 -1.96 0.32 119.26 124.32 1jfj h ALA 4 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jfj h ALA 4 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jfj h ALA 4 CO 0.03 0.05 -0.17 -0.07 0.00 0.00 0.00 179.25 179.09 1jfj h LEU 5 N 0.84 -0.41 -1.20 0.00 4.07 -1.16 0.15 115.31 117.60 1jfj h LEU 5 Ca 0.52 -0.15 0.32 0.00 0.08 0.00 0.00 57.88 58.65 1jfj h LEU 5 Cb 0.71 0.11 -0.12 0.00 1.08 0.00 0.00 40.66 42.43 1jfj h LEU 5 CO -0.30 -0.01 0.67 0.15 -1.08 0.00 0.00 178.44 177.87 1jfj h PHE 6 N -0.89 0.77 0.02 1.13 3.04 -1.23 0.30 116.94 120.07 1jfj h PHE 6 Ca -0.05 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1jfj h PHE 6 Cb 0.53 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1jfj h PHE 6 CO 0.03 -0.08 -0.01 -0.22 -2.02 0.00 0.00 178.31 176.01 1jfj h LYS 7 N 0.33 -0.02 -0.93 1.11 3.11 -0.86 -2.90 116.57 116.40 1jfj h LYS 7 Ca 0.70 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.77 1jfj h LYS 7 Cb 1.76 0.01 -0.13 0.00 -1.00 0.00 0.00 32.23 32.87 1jfj h LYS 7 CO -0.45 0.71 0.45 1.49 -2.81 0.00 0.00 179.45 178.84 1jfj h GLU 8 N -0.82 0.42 -0.07 1.90 4.81 0.20 1.28 114.58 122.31 1jfj h GLU 8 Ca -0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1jfj h GLU 8 Cb 0.75 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1jfj h GLU 8 CO 0.00 0.28 -0.29 0.82 -0.73 0.00 0.00 179.01 179.10 1jfj h ILE 9 N 0.44 1.24 0.00 2.32 1.08 -0.59 -3.16 117.51 118.84 1jfj h ILE 9 Ca 0.59 -1.11 -0.38 0.00 -0.39 0.00 0.00 64.86 63.57 1jfj h ILE 9 Cb 1.13 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.37 1jfj h ILE 9 CO -0.52 0.33 1.60 0.47 -0.69 0.00 0.00 178.15 179.34 1jfj n ASP 10 N -4.16 6.21 -0.27 1.72 9.92 0.44 -4.64 116.55 125.78 1jfj n ASP 10 Ca -0.01 -2.44 -0.09 0.00 -0.53 0.00 0.00 54.79 51.72 1jfj n ASP 10 Cb 0.36 -1.35 -0.05 0.00 -0.64 0.00 0.00 41.12 39.44 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 2.60 0.04 -0.99 2.53 2.07 -1.65 1.03 116.25 121.87 1jfj h VAL 11 Ca 0.47 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.40 1jfj h VAL 11 Cb 0.81 0.04 -0.18 0.00 -1.52 0.00 0.00 31.29 30.44 1jfj h VAL 11 CO 0.97 0.00 0.50 -0.46 0.02 0.00 0.00 177.57 178.60 1jfj n ASN 12 N -5.37 0.32 -1.10 0.57 0.23 -1.26 -4.84 115.26 103.81 1jfj n ASN 12 Ca 0.02 1.65 0.00 0.00 -0.53 0.00 0.00 54.58 55.72 1jfj n ASN 12 Cb 0.33 -0.79 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 1jfj n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 13 N -1.27 -0.83 1.49 4.83 0.00 0.36 -5.06 105.19 104.70 1jfj n GLY 13 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.26 0.11 0.00 1.61 5.75 -1.26 -5.06 116.55 117.43 1jfj n ASP 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 14 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 15 N 1.72 1.87 3.32 6.12 0.00 -1.26 -5.12 105.19 111.82 1jfj n GLY 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.37 0.30 4.61 0.00 -1.26 -4.07 121.76 119.71 1jfj s ALA 16 Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.86 1jfj s ALA 16 Cb 0.00 1.01 -0.06 0.00 0.00 0.00 0.00 23.12 24.07 1jfj s ALA 16 CO 0.00 -0.64 -0.05 0.08 0.00 0.00 0.00 175.76 175.15 1jfj s VAL 17 N -4.03 1.75 0.28 0.00 1.01 0.17 -4.79 120.40 114.78 1jfj s VAL 17 Ca 0.24 -2.13 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1jfj s VAL 17 Cb 0.04 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1jfj s VAL 17 CO 0.04 -0.24 0.06 -0.94 0.00 0.00 0.00 175.10 174.03 1jfj s SER 18 N -3.49 1.85 0.19 3.32 1.04 -1.26 0.53 113.70 115.87 1jfj s SER 18 Ca 0.31 -1.35 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 1jfj s SER 18 Cb 0.04 0.02 0.18 0.00 0.10 0.00 0.00 66.02 66.36 1jfj s SER 18 CO 0.13 -0.63 1.76 0.22 0.98 0.00 0.00 173.24 175.70 1jfj h TYR 19 N 2.28 0.37 -0.00 5.02 3.20 -1.85 1.38 116.97 127.36 1jfj h TYR 19 Ca -0.39 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.35 1jfj h TYR 19 Cb 1.24 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1jfj h TYR 19 CO 0.53 0.14 -0.71 1.05 -1.64 0.00 0.00 178.16 177.53 1jfj h GLU 20 N 0.40 0.03 0.12 1.82 4.11 -1.97 -1.74 114.58 117.35 1jfj h GLU 20 Ca 0.24 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.64 1jfj h GLU 20 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1jfj h GLU 20 CO -0.23 0.72 -0.06 1.49 0.07 0.00 0.00 179.01 181.01 1jfj h GLU 21 N 0.02 -0.15 -0.81 1.06 4.81 -1.62 0.93 114.58 118.82 1jfj h GLU 21 Ca -0.01 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1jfj h GLU 21 Cb 1.25 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 1jfj h GLU 21 CO 0.09 0.33 0.51 -0.24 -0.73 0.00 0.00 179.01 178.97 1jfj h VAL 22 N -0.78 1.09 -0.13 0.32 3.04 0.17 0.58 116.25 120.54 1jfj h VAL 22 Ca -0.02 -0.33 -0.10 0.00 -1.01 0.00 0.00 66.70 65.25 1jfj h VAL 22 Cb 0.55 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1jfj h VAL 22 CO 0.03 0.18 -0.34 0.07 -1.01 0.00 0.00 177.57 176.49 1jfj h LYS 23 N 0.97 0.27 -0.00 4.17 5.09 -1.35 -1.56 116.57 124.17 1jfj h LYS 23 Ca 0.34 -0.11 -0.14 0.00 0.09 0.00 0.00 60.65 60.82 1jfj h LYS 23 Cb 0.07 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.37 1jfj h LYS 23 CO -0.14 0.59 -0.67 0.00 -2.09 0.00 0.00 179.45 177.14 1jfj h ALA 24 N 1.41 0.89 0.39 0.07 0.00 0.11 -0.46 119.26 121.67 1jfj h ALA 24 Ca 0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1jfj h ALA 24 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jfj h ALA 24 CO 0.06 0.83 -0.19 0.35 0.00 0.00 0.00 179.25 180.30 1jfj h PHE 25 N 0.01 -0.49 -0.44 0.00 3.04 0.68 -2.88 116.94 116.86 1jfj h PHE 25 Ca -0.01 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1jfj h PHE 25 Cb 1.19 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 1jfj h PHE 25 CO 0.00 -0.17 0.14 -0.24 -2.02 0.00 0.00 178.31 176.02 1jfj h VAL 26 N -1.00 1.18 -0.96 1.41 3.04 -1.37 -1.95 116.25 116.61 1jfj h VAL 26 Ca -0.05 -0.61 0.16 0.00 -1.01 0.00 0.00 66.70 65.18 1jfj h VAL 26 Cb 0.53 0.69 -0.10 0.00 -2.01 0.00 0.00 31.29 30.41 1jfj h VAL 26 CO 0.09 0.23 0.56 0.28 -1.01 0.00 0.00 177.57 177.72 1jfj h SER 27 N 0.64 0.75 -1.40 3.17 0.02 -1.08 0.21 113.55 115.85 1jfj h SER 27 Ca 0.15 0.08 0.44 0.00 -0.84 0.00 0.00 61.79 61.62 1jfj h SER 27 Cb 0.18 -0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.56 1jfj h SER 27 CO -0.01 0.32 0.94 0.50 -1.14 0.00 0.00 176.83 177.44 1jfj h LYS 28 N 0.79 0.08 0.00 3.45 3.64 -1.12 -1.34 116.57 122.07 1jfj h LYS 28 Ca 0.52 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1jfj h LYS 28 Cb 0.71 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1jfj h LYS 28 CO -0.34 0.05 0.00 1.17 -2.27 0.00 0.00 179.45 178.06 1jfj n LYS 29 N -4.51 0.00 -2.55 1.90 4.81 0.74 -5.04 118.16 113.52 1jfj n LYS 29 Ca 0.37 0.43 -0.06 0.00 -0.87 0.00 0.00 58.31 58.18 1jfj n LYS 29 Cb 1.48 -1.06 -0.02 0.00 0.02 0.00 0.00 35.03 35.45 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jfj n ARG 30 N -1.79 0.19 -3.02 1.64 5.12 -0.50 -5.09 116.66 113.20 1jfj n ARG 30 Ca 0.00 -1.01 -0.15 0.00 -1.93 0.00 0.00 57.85 54.76 1jfj n ARG 30 Cb 0.00 0.90 -0.00 0.00 -1.16 0.00 0.00 32.46 32.20 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj n ALA 31 N -2.24 2.11 -1.79 7.54 0.00 -1.26 -4.02 120.51 120.85 1jfj n ALA 31 Ca -0.04 -3.15 -0.34 0.00 0.00 0.00 0.00 53.44 49.91 1jfj n ALA 31 Cb 0.20 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1jfj n ALA 31 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1jfj n ILE 32 N 0.18 4.39 -3.70 0.00 -6.64 -1.26 -4.69 119.36 107.63 1jfj n ILE 32 Ca 0.19 -3.80 -0.23 0.00 -1.77 0.00 0.00 62.75 57.14 1jfj n ILE 32 Cb 0.70 -1.81 0.03 0.00 -1.44 0.00 0.00 39.64 37.12 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1jfj n LYS 33 N 1.21 -4.04 0.01 6.28 5.02 -1.26 -4.89 118.16 120.49 1jfj n LYS 33 Ca 0.56 0.58 -0.18 0.00 -2.02 0.00 0.00 58.31 57.25 1jfj n LYS 33 Cb 0.38 -4.99 -0.10 0.00 -0.02 0.00 0.00 35.03 30.31 1jfj n LYS 33 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1jfj h ASN 34 N -1.82 0.75 -1.52 4.39 -0.73 -1.92 -3.17 115.58 111.55 1jfj h ASN 34 Ca -0.62 -0.72 0.49 0.00 1.87 0.00 0.00 56.30 57.32 1jfj h ASN 34 Cb 1.36 -0.23 -0.11 0.00 0.27 0.00 0.00 38.32 39.61 1jfj h ASN 34 CO 0.55 1.36 1.03 1.21 -0.37 0.00 0.00 177.43 181.21 1jfj n GLU 35 N -4.05 -0.02 0.31 6.67 0.00 -1.26 0.10 120.64 122.38 1jfj n GLU 35 Ca -0.10 1.14 -0.12 0.00 0.00 0.00 0.00 57.16 58.08 1jfj n GLU 35 Cb 0.75 -2.38 -0.06 0.00 0.00 0.00 0.00 31.44 29.75 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1jfj h GLN 36 N 0.00 -0.78 0.77 5.31 -0.00 -1.93 -0.63 115.11 117.84 1jfj h GLN 36 Ca 0.86 0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 59.53 1jfj h GLN 36 Cb 3.04 0.18 0.01 0.00 0.00 0.00 0.00 27.48 30.70 1jfj h GLN 36 CO -0.29 -0.52 -0.37 -0.07 0.00 0.00 0.00 178.83 177.58 1jfj h LEU 37 N -1.10 -0.87 -0.94 -2.39 4.07 -0.17 -0.80 115.31 113.11 1jfj h LEU 37 Ca -0.08 0.03 0.13 0.00 0.08 0.00 0.00 57.88 58.04 1jfj h LEU 37 Cb 0.62 0.23 -0.14 0.00 1.08 0.00 0.00 40.66 42.44 1jfj h LEU 37 CO 0.14 -0.52 -0.44 0.25 -1.08 0.00 0.00 178.44 176.79 1jfj h LEU 38 N -1.23 -1.60 -0.94 1.67 6.46 0.51 1.40 115.31 121.59 1jfj h LEU 38 Ca -0.11 0.31 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 1jfj h LEU 38 Cb 0.79 0.79 -0.08 0.00 -0.73 0.00 0.00 40.66 41.43 1jfj h LEU 38 CO 0.17 -0.28 0.57 -0.61 -0.62 0.00 0.00 178.44 177.67 1jfj h GLN 39 N -0.03 0.90 0.88 1.25 -0.00 -1.07 0.45 115.11 117.50 1jfj h GLN 39 Ca 0.29 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.84 1jfj h GLN 39 Cb 0.55 -0.20 0.01 0.00 0.00 0.00 0.00 27.48 27.84 1jfj h GLN 39 CO -0.94 0.60 -0.42 1.25 0.00 0.00 0.00 178.83 179.31 1jfj h LEU 40 N 0.93 -1.00 0.19 -2.39 6.46 0.32 -0.70 115.31 119.12 1jfj h LEU 40 Ca 0.46 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 58.26 1jfj h LEU 40 Cb 0.42 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1jfj h LEU 40 CO -0.25 -0.69 -0.50 0.40 -0.62 0.00 0.00 178.44 176.78 1jfj h ILE 41 N -1.23 0.00 -1.00 4.05 2.04 0.27 0.07 117.51 121.71 1jfj h ILE 41 Ca -0.12 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1jfj h ILE 41 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 1jfj h ILE 41 CO 0.20 0.00 -0.47 0.15 0.00 0.00 0.00 178.15 178.03 1jfj h PHE 42 N -0.77 -1.41 -0.43 1.37 3.04 -0.12 0.73 116.94 119.35 1jfj h PHE 42 Ca -0.02 0.12 0.08 0.00 3.98 0.00 0.00 57.97 62.13 1jfj h PHE 42 Cb 0.74 0.76 -0.07 0.00 2.56 0.00 0.00 35.95 39.94 1jfj h PHE 42 CO -0.40 -0.39 0.01 -0.22 -2.02 0.00 0.00 178.31 175.28 1jfj h LYS 43 N -0.00 0.12 -0.21 1.11 3.11 -0.58 1.44 116.57 121.55 1jfj h LYS 43 Ca 0.27 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.16 1jfj h LYS 43 Cb 0.52 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.67 1jfj h LYS 43 CO -0.97 0.08 -0.18 1.03 -2.81 0.00 0.00 179.45 176.60 1jfj h SER 44 N 0.12 -0.57 0.77 4.20 0.87 0.23 -2.93 113.55 116.23 1jfj h SER 44 Ca 0.21 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 1jfj h SER 44 Cb 0.30 0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1jfj h SER 44 CO -0.35 -0.22 -0.37 0.40 -0.53 0.00 0.00 176.83 175.76 1jfj h ILE 45 N -0.19 0.00 -0.39 2.23 2.04 0.63 -3.39 117.51 118.44 1jfj h ILE 45 Ca 0.12 -0.24 -0.33 0.00 1.00 0.00 0.00 64.86 65.41 1jfj h ILE 45 Cb 0.37 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1jfj h ILE 45 CO -0.32 0.00 1.41 -0.67 0.00 0.00 0.00 178.15 178.57 1jfj n ASP 46 N -5.45 0.48 0.10 1.72 -0.08 0.48 -4.69 116.55 109.12 1jfj n ASP 46 Ca -0.13 -0.58 -0.23 0.00 -1.51 0.00 0.00 54.79 52.34 1jfj n ASP 46 Cb 0.41 -1.10 -0.15 0.00 2.34 0.00 0.00 41.12 42.61 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jfj h ALA 47 N 13.32 -0.11 -0.11 -1.67 0.00 -1.78 -3.32 119.26 125.59 1jfj h ALA 47 Ca -0.05 -0.81 -0.23 0.00 0.00 0.00 0.00 54.91 53.83 1jfj h ALA 47 Cb 1.17 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1jfj h ALA 47 CO 1.33 0.57 -0.83 0.38 0.00 0.00 0.00 179.25 180.70 1jfj h ASP 48 N -0.09 0.92 0.00 0.00 3.04 -1.95 -3.48 116.42 114.86 1jfj h ASP 48 Ca -0.21 -0.66 0.00 0.00 -3.24 0.00 0.00 57.03 52.91 1jfj h ASP 48 Cb 1.93 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.95 1jfj h ASP 48 CO 0.21 1.44 0.00 0.61 -2.04 0.00 0.00 179.24 179.46 1jfj n GLY 49 N 0.82 0.98 0.02 7.15 0.00 -1.25 -4.93 105.19 107.97 1jfj n GLY 49 Ca -0.09 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 1.24 0.07 0.00 1.61 0.23 -1.26 -4.80 115.26 112.35 1jfj n ASN 50 Ca 0.00 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 1jfj n ASN 50 Cb 0.30 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 51 N -0.51 1.83 3.39 4.83 0.00 -1.26 -4.97 105.19 108.50 1jfj n GLY 51 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 1.53 0.13 1.61 8.01 -1.26 -2.22 118.70 126.49 1jfj s GLU 52 Ca 0.00 -1.84 0.02 0.00 0.01 0.00 0.00 54.97 53.16 1jfj s GLU 52 Cb 0.00 -0.59 -0.01 0.00 -4.31 0.00 0.00 34.13 29.23 1jfj s GLU 52 CO 0.00 -0.23 0.14 0.44 0.01 0.00 0.00 175.26 175.61 1jfj n ILE 53 N -0.58 0.00 -4.51 -1.63 -6.64 0.19 -4.90 119.36 101.28 1jfj n ILE 53 Ca -0.01 -0.83 -0.26 0.00 -1.77 0.00 0.00 62.75 59.88 1jfj n ILE 53 Cb 0.66 0.45 -0.08 0.00 -1.44 0.00 0.00 39.64 39.23 1jfj n ILE 53 CO 0.00 0.00 0.00 1.51 -1.77 0.00 0.00 176.55 176.29 1jfj s ASP 54 N -1.86 2.79 0.53 7.28 1.47 -1.26 0.41 116.67 126.03 1jfj s ASP 54 Ca 0.14 -1.68 0.24 0.00 1.18 0.00 0.00 52.55 52.44 1jfj s ASP 54 Cb 0.00 0.50 1.39 0.00 -0.34 0.00 0.00 42.92 44.47 1jfj s ASP 54 CO 0.10 -0.93 2.01 0.06 0.68 0.00 0.00 175.17 177.08 1jfj h GLN 55 N 1.79 0.00 0.43 2.11 -0.00 -1.95 0.89 115.11 118.38 1jfj h GLN 55 Ca -0.35 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.28 1jfj h GLN 55 Cb 1.27 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1jfj h GLN 55 CO 0.57 0.00 -0.21 -0.97 -0.00 0.00 0.00 178.83 178.22 1jfj h ASN 56 N 0.00 -0.49 -0.34 0.06 -0.73 -1.95 0.54 115.58 112.68 1jfj h ASN 56 Ca 0.23 0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.45 1jfj h ASN 56 Cb 0.92 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.62 1jfj h ASN 56 CO -0.00 -0.09 0.23 -0.33 -0.37 0.00 0.00 177.43 176.86 1jfj h GLU 57 N -1.10 0.31 -0.20 6.67 5.08 -1.79 -0.77 114.58 122.79 1jfj h GLU 57 Ca -0.06 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1jfj h GLU 57 Cb 0.45 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jfj h GLU 57 CO 0.10 0.20 -0.57 0.35 -1.00 0.00 0.00 179.01 178.09 1jfj h PHE 58 N 0.32 0.80 -0.17 4.33 3.57 0.77 0.36 116.94 126.92 1jfj h PHE 58 Ca 0.14 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1jfj h PHE 58 Cb 0.16 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1jfj h PHE 58 CO -0.00 1.05 0.01 0.00 -2.23 0.00 0.00 178.31 177.15 1jfj h ALA 59 N 0.88 0.23 -0.34 2.41 0.00 0.46 0.19 119.26 123.09 1jfj h ALA 59 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1jfj h ALA 59 Cb 1.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1jfj h ALA 59 CO 0.11 -0.09 -0.38 -0.22 0.00 0.00 0.00 179.25 178.68 1jfj h LYS 60 N 0.06 0.81 0.22 0.00 3.64 -1.20 -2.55 116.57 117.55 1jfj h LYS 60 Ca 0.05 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1jfj h LYS 60 Cb 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1jfj h LYS 60 CO 0.01 1.05 -0.11 0.35 -2.27 0.00 0.00 179.45 178.48 1jfj h PHE 61 N 0.67 -0.28 0.11 1.91 3.57 -0.11 -3.14 116.94 119.67 1jfj h PHE 61 Ca 0.06 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1jfj h PHE 61 Cb 0.94 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1jfj h PHE 61 CO 0.05 -0.14 -0.35 -0.92 -2.23 0.00 0.00 178.31 174.72 1jfj h TYR 62 N -0.34 -0.97 0.00 0.41 5.03 -0.61 -3.48 116.97 117.02 1jfj h TYR 62 Ca -0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1jfj h TYR 62 Cb 0.26 0.41 0.00 0.00 1.55 0.00 0.00 36.73 38.95 1jfj h TYR 62 CO -0.05 -0.46 0.00 0.41 -1.32 0.00 0.00 178.16 176.74 1jfj n GLY 63 N -1.43 1.15 0.35 1.82 0.00 -0.97 -4.04 105.19 102.07 1jfj n GLY 63 Ca -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 1jfj n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jfj h SER 64 N 0.00 -1.16 -0.61 1.61 0.02 -1.82 0.32 113.55 111.91 1jfj h SER 64 Ca 0.00 0.25 0.12 0.00 -0.84 0.00 0.00 61.79 61.32 1jfj h SER 64 Cb 0.00 0.61 -0.12 0.00 0.14 0.00 0.00 62.40 63.03 1jfj h SER 64 CO 0.00 -0.29 -0.23 0.16 -1.14 0.00 0.00 176.83 175.33 1jfj h ILE 65 N -0.10 0.28 0.00 3.27 3.07 -1.95 -3.44 117.51 118.65 1jfj h ILE 65 Ca 0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.69 1jfj h ILE 65 Cb 0.57 0.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.40 1jfj h ILE 65 CO -0.77 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 176.33 1jfj n GLN 66 N -5.44 0.00 0.00 0.16 10.64 0.11 -5.06 117.38 117.79 1jfj n GLN 66 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1jfj n GLN 66 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jfj n GLY 67 N -1.05 2.70 3.23 2.61 0.00 -1.09 -4.69 105.19 106.90 1jfj n GLY 67 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1jfj n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jfj s GLN 68 N 0.00 0.88 -0.85 1.61 0.74 -1.26 -4.95 119.66 115.82 1jfj s GLN 68 Ca 0.00 -0.81 -0.19 0.00 0.05 0.00 0.00 55.36 54.42 1jfj s GLN 68 Cb 0.00 0.37 0.13 0.00 1.10 0.00 0.00 33.01 34.61 1jfj s GLN 68 CO 0.00 -0.29 1.02 0.16 -0.55 0.00 0.00 175.29 175.62 1jfj s ASP 69 N -2.66 6.55 0.00 6.67 -4.77 -1.26 -4.19 116.67 117.01 1jfj s ASP 69 Ca 0.02 -1.96 0.00 0.00 -3.30 0.00 0.00 52.55 47.31 1jfj s ASP 69 Cb 0.03 -2.36 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 1jfj s ASP 69 CO -0.10 -1.04 0.00 -0.11 0.70 0.00 0.00 175.17 174.62 1jfj n LEU 70 N 6.29 0.00 -0.15 2.11 7.94 -1.26 -4.94 117.00 127.00 1jfj n LEU 70 Ca 0.16 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.00 1jfj n LEU 70 Cb 0.48 0.15 0.11 0.00 0.53 0.00 0.00 43.42 44.69 1jfj n LEU 70 CO 0.50 -0.15 0.86 0.77 -1.11 0.00 0.00 177.39 178.27 1jfj h SER 71 N 0.00 0.86 -1.08 1.96 4.64 -1.98 -2.13 113.55 115.83 1jfj h SER 71 Ca 0.00 -0.22 0.30 0.00 -0.47 0.00 0.00 61.79 61.40 1jfj h SER 71 Cb 0.00 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 61.80 1jfj h SER 71 CO 0.00 0.93 0.75 -2.24 -0.87 0.00 0.00 176.83 175.40 1jfj h ASP 72 N 0.83 0.11 0.38 4.97 2.03 -1.92 1.56 116.42 124.37 1jfj h ASP 72 Ca 0.16 0.02 -0.21 0.00 -0.73 0.00 0.00 57.03 56.27 1jfj h ASP 72 Cb 0.49 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1jfj h ASP 72 CO 0.02 0.02 -0.86 0.44 -1.03 0.00 0.00 179.24 177.83 1jfj h ASP 73 N 0.10 0.45 0.13 4.15 3.32 -1.77 0.77 116.42 123.57 1jfj h ASP 73 Ca 0.54 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1jfj h ASP 73 Cb 1.93 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1jfj h ASP 73 CO -0.08 1.12 -0.06 0.11 -1.72 0.00 0.00 179.24 178.61 1jfj h LYS 74 N 0.21 -0.17 0.00 3.56 6.56 0.20 -2.17 116.57 124.75 1jfj h LYS 74 Ca -0.06 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1jfj h LYS 74 Cb 1.48 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 33.17 1jfj h LYS 74 CO 0.14 0.29 -0.16 -0.84 -2.06 0.00 0.00 179.45 176.82 1jfj h ILE 75 N -0.76 1.10 0.71 1.86 3.07 0.05 -0.60 117.51 122.94 1jfj h ILE 75 Ca -0.02 -0.56 -0.03 0.00 1.55 0.00 0.00 64.86 65.79 1jfj h ILE 75 Cb 0.54 1.30 0.01 0.00 -0.27 0.00 0.00 36.82 38.40 1jfj h ILE 75 CO 0.03 0.16 -0.34 1.23 -1.05 0.00 0.00 178.15 178.18 1jfj h GLY 76 N 0.50 -1.00 1.62 0.16 0.00 -0.78 0.17 103.07 103.74 1jfj h GLY 76 Ca -0.00 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1jfj h GLY 76 CO 0.02 -0.36 0.16 -2.00 0.00 0.00 0.00 176.54 174.36 1jfj h LEU 77 N -1.09 0.44 0.40 3.11 7.12 -1.20 -1.32 115.31 122.78 1jfj h LEU 77 Ca -0.10 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.86 1jfj h LEU 77 Cb 0.76 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1jfj h LEU 77 CO 0.16 0.39 -0.19 0.50 -0.13 0.00 0.00 178.44 179.17 1jfj h LYS 78 N 0.50 -0.52 0.27 1.25 3.11 -0.89 -0.39 116.57 119.90 1jfj h LYS 78 Ca 0.13 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1jfj h LYS 78 Cb 0.08 0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.39 1jfj h LYS 78 CO -0.02 -0.30 -0.48 0.28 -2.81 0.00 0.00 179.45 176.12 1jfj h VAL 79 N -0.62 0.06 -0.64 2.00 2.07 -0.20 -0.75 116.25 118.17 1jfj h VAL 79 Ca -0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1jfj h VAL 79 Cb 0.46 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.19 1jfj h VAL 79 CO 0.09 0.00 -0.56 -0.07 0.02 0.00 0.00 177.57 177.05 1jfj h LEU 80 N -0.82 -1.95 -0.86 2.57 4.07 -1.21 0.48 115.31 117.59 1jfj h LEU 80 Ca -0.02 0.28 0.23 0.00 0.08 0.00 0.00 57.88 58.44 1jfj h LEU 80 Cb 0.78 0.83 -0.14 0.00 1.08 0.00 0.00 40.66 43.21 1jfj h LEU 80 CO -0.18 -0.34 0.19 1.88 -1.08 0.00 0.00 178.44 178.90 1jfj h TYR 81 N -0.24 0.26 -0.54 1.13 -1.99 -0.64 1.08 116.97 116.03 1jfj h TYR 81 Ca 0.11 0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.84 1jfj h TYR 81 Cb 0.53 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1jfj h TYR 81 CO -0.84 -0.23 0.10 -0.22 -0.00 0.00 0.00 178.16 176.98 1jfj h LYS 82 N 0.18 0.85 -0.07 4.88 3.11 0.13 -2.09 116.57 123.56 1jfj h LYS 82 Ca 0.53 -0.19 -0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1jfj h LYS 82 Cb 1.05 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.16 1jfj h LYS 82 CO -0.67 0.78 0.04 1.25 -2.81 0.00 0.00 179.45 178.04 1jfj h LEU 83 N 0.81 0.09 -0.29 5.20 6.46 0.50 -2.95 115.31 125.13 1jfj h LEU 83 Ca 0.17 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1jfj h LEU 83 Cb 0.34 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 1jfj h LEU 83 CO 0.00 0.16 -0.11 0.24 -0.62 0.00 0.00 178.44 178.12 1jfj h MET 84 N 0.01 -0.05 -5.40 1.25 2.86 -0.38 -3.36 114.93 109.86 1jfj h MET 84 Ca 0.02 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.47 1jfj h MET 84 Cb 0.09 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1jfj h MET 84 CO -0.00 -0.04 0.73 -3.47 1.06 0.00 0.00 176.91 175.19 1jfj n ASP 85 N -5.28 1.76 0.01 1.22 2.03 -0.81 -4.68 116.55 110.79 1jfj n ASP 85 Ca -0.00 -1.06 0.13 0.00 0.52 0.00 0.00 54.79 54.39 1jfj n ASP 85 Cb 0.20 -1.56 0.52 0.00 -0.72 0.00 0.00 41.12 39.57 1jfj n ASP 85 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1jfj n VAL 86 N 8.32 0.04 0.07 5.18 3.14 -1.26 -3.19 118.33 130.63 1jfj n VAL 86 Ca 0.45 -0.02 -0.09 0.00 -2.96 0.00 0.00 64.34 61.72 1jfj n VAL 86 Cb 0.44 -0.34 0.02 0.00 -1.06 0.00 0.00 33.84 32.91 1jfj n VAL 86 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1jfj h ASP 87 N 0.00 0.37 -3.20 6.55 5.19 -1.94 -3.48 116.42 119.90 1jfj h ASP 87 Ca 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1jfj h ASP 87 Cb 0.52 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1jfj h ASP 87 CO 0.00 1.01 -0.01 0.61 -3.12 0.00 0.00 179.24 177.73 1jfj n GLY 88 N 0.66 -0.46 1.31 2.75 0.00 -1.19 -5.03 105.19 103.23 1jfj n GLY 88 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.95 0.20 0.00 1.61 5.68 -1.26 -5.05 116.55 116.78 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 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 1.79 1.40 3.24 6.12 0.00 -1.26 -5.11 105.19 111.38 1jfj n GLY 90 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.17 1.43 0.23 1.61 -2.85 -1.26 -3.36 119.74 115.36 1jfj s LYS 91 Ca 0.00 -1.77 -0.16 0.00 -1.00 0.00 0.00 55.97 53.04 1jfj s LYS 91 Cb 0.00 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1jfj s LYS 91 CO 0.00 -0.50 0.53 -0.51 0.10 0.00 0.00 175.35 174.97 1jfj s LEU 92 N -3.24 0.16 0.39 2.77 1.02 -0.52 -4.92 118.68 114.35 1jfj s LEU 92 Ca 0.39 -0.70 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1jfj s LEU 92 Cb 0.05 2.05 -0.04 0.00 0.02 0.00 0.00 46.19 48.27 1jfj s LEU 92 CO 0.18 -1.13 0.07 0.42 0.02 0.00 0.00 176.35 175.91 1jfj s THR 93 N -3.94 1.01 0.36 5.49 -4.23 -1.26 0.24 115.64 113.31 1jfj s THR 93 Ca 0.15 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.77 1jfj s THR 93 Cb -0.02 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.39 1jfj s THR 93 CO 0.04 0.00 1.82 0.07 -0.54 0.00 0.00 174.62 176.01 1jfj h LYS 94 N 1.83 0.12 -0.10 3.99 2.10 -1.93 0.51 116.57 123.09 1jfj h LYS 94 Ca -0.39 -0.04 -0.22 0.00 -2.00 0.00 0.00 60.65 57.99 1jfj h LYS 94 Cb 1.27 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1jfj h LYS 94 CO 0.66 0.43 -0.83 1.49 -2.00 0.00 0.00 179.45 179.20 1jfj h GLU 95 N 0.10 0.66 -0.03 0.07 4.81 -1.96 -0.78 114.58 117.45 1jfj h GLU 95 Ca 0.01 -0.58 -0.13 0.00 -0.13 0.00 0.00 59.36 58.54 1jfj h GLU 95 Cb 0.62 0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1jfj h GLU 95 CO 0.04 1.19 -0.47 1.49 -0.73 0.00 0.00 179.01 180.53 1jfj h GLU 96 N 0.43 0.38 -0.50 1.92 4.81 -1.86 0.23 114.58 119.99 1jfj h GLU 96 Ca -0.06 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1jfj h GLU 96 Cb 1.45 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 1jfj h GLU 96 CO 0.16 1.03 0.28 -0.24 -0.73 0.00 0.00 179.01 179.50 1jfj h VAL 97 N -0.13 1.17 0.00 0.32 3.04 -0.06 0.29 116.25 120.89 1jfj h VAL 97 Ca -0.05 -0.44 -0.14 0.00 -1.01 0.00 0.00 66.70 65.06 1jfj h VAL 97 Cb 1.17 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1jfj h VAL 97 CO 0.10 0.18 -0.65 0.00 -1.01 0.00 0.00 177.57 176.19 1jfj h THR 98 N 0.67 1.47 -0.39 3.17 1.03 -1.18 0.06 112.91 117.73 1jfj h THR 98 Ca 0.18 -2.24 -0.15 0.00 -0.01 0.00 0.00 66.41 64.18 1jfj h THR 98 Cb 0.05 2.21 -0.01 0.00 -1.07 0.00 0.00 68.15 69.33 1jfj h THR 98 CO -0.03 0.64 -0.36 0.28 -0.01 0.00 0.00 175.52 176.04 1jfj h SER 99 N 0.00 0.99 -0.01 0.00 0.02 0.14 0.37 113.55 115.06 1jfj h SER 99 Ca -0.01 -0.46 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 1jfj h SER 99 Cb 1.16 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.43 1jfj h SER 99 CO 0.08 1.24 -0.30 -0.26 -1.14 0.00 0.00 176.83 176.46 1jfj h PHE 100 N 0.75 0.33 0.00 3.45 0.04 -0.35 -3.26 116.94 117.90 1jfj h PHE 100 Ca 0.07 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1jfj h PHE 100 Cb 0.95 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1jfj h PHE 100 CO 0.06 0.95 -0.40 0.74 -0.60 0.00 0.00 178.31 179.06 1jfj h PHE 101 N -0.39 0.00 -1.15 -0.55 0.04 -1.02 -2.90 116.94 110.98 1jfj h PHE 101 Ca -0.03 0.00 0.39 0.00 2.80 0.00 0.00 57.97 61.13 1jfj h PHE 101 Cb 1.03 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.03 1jfj h PHE 101 CO 0.16 0.40 0.70 0.87 -0.60 0.00 0.00 178.31 179.84 1jfj h LYS 102 N 0.00 0.15 -0.98 1.51 1.79 -0.29 1.39 116.57 120.14 1jfj h LYS 102 Ca -0.00 -0.01 0.29 0.00 -2.18 0.00 0.00 60.65 58.75 1jfj h LYS 102 Cb 0.72 -0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.19 1jfj h LYS 102 CO 0.05 0.10 0.51 0.87 -1.08 0.00 0.00 179.45 179.90 1jfj h LYS 103 N 0.15 0.33 0.00 3.15 1.79 -1.67 -0.47 116.57 119.86 1jfj h LYS 103 Ca 0.79 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 59.21 1jfj h LYS 103 Cb 2.20 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.77 1jfj h LYS 103 CO -0.54 0.22 -0.20 0.45 -1.08 0.00 0.00 179.45 178.30 1jfj h HIS 104 N 0.34 0.00 0.00 -1.35 3.86 0.16 -3.48 115.15 114.68 1jfj h HIS 104 Ca 0.69 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.90 1jfj h HIS 104 Cb 1.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.98 1jfj h HIS 104 CO -0.05 0.96 0.00 0.41 0.86 0.00 0.00 177.93 180.11 1jfj n GLY 105 N 1.60 0.88 3.36 2.45 0.00 -0.19 -4.97 105.19 108.32 1jfj n GLY 105 Ca -0.12 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1jfj n GLY 105 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jfj n ILE 106 N -2.23 1.58 -0.57 -0.61 -5.35 -1.26 -4.69 119.36 106.24 1jfj n ILE 106 Ca 0.00 -1.51 0.45 0.00 -0.27 0.00 0.00 62.75 61.42 1jfj n ILE 106 Cb 0.00 -2.21 0.70 0.00 -1.74 0.00 0.00 39.64 36.39 1jfj n ILE 106 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jfj n GLU 107 N 7.68 0.00 -0.10 6.28 0.00 -1.26 0.79 120.64 134.03 1jfj n GLU 107 Ca 0.47 1.03 -0.08 0.00 0.00 0.00 0.00 57.16 58.58 1jfj n GLU 107 Cb 0.43 -2.43 -0.02 0.00 0.00 0.00 0.00 31.44 29.42 1jfj n GLU 107 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1jfj h LYS 108 N 0.00 -0.26 -1.26 5.31 1.63 -2.01 0.85 116.57 120.83 1jfj h LYS 108 Ca 0.80 0.02 0.36 0.00 -0.85 0.00 0.00 60.65 60.98 1jfj h LYS 108 Cb 3.46 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 35.10 1jfj h LYS 108 CO -0.01 -0.18 0.90 -0.24 -3.45 0.00 0.00 179.45 176.48 1jfj h VAL 109 N -0.27 0.37 -0.55 2.00 3.04 -0.02 1.33 116.25 122.15 1jfj h VAL 109 Ca 0.16 -0.01 -0.05 0.00 -1.01 0.00 0.00 66.70 65.79 1jfj h VAL 109 Cb 0.54 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.15 1jfj h VAL 109 CO -0.51 0.00 0.14 0.00 -1.01 0.00 0.00 177.57 176.20 1jfj h ALA 110 N 1.38 0.72 -0.18 3.17 0.00 0.63 0.28 119.26 125.26 1jfj h ALA 110 Ca 0.60 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1jfj h ALA 110 Cb 2.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1jfj h ALA 110 CO -0.02 0.41 -0.07 1.49 0.00 0.00 0.00 179.25 181.05 1jfj h GLU 111 N 0.77 0.36 0.00 0.00 4.57 0.20 -0.82 114.58 119.66 1jfj h GLU 111 Ca 0.17 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1jfj h GLU 111 Cb 0.33 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1jfj h GLU 111 CO 0.00 0.65 -0.18 1.96 -1.18 0.00 0.00 179.01 180.27 1jfj h GLN 112 N 0.05 0.00 -0.12 1.92 4.20 -0.98 -0.82 115.11 119.36 1jfj h GLN 112 Ca 0.04 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1jfj h GLN 112 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1jfj h GLN 112 CO 0.02 0.18 -0.31 0.28 -0.67 0.00 0.00 178.83 178.32 1jfj h VAL 113 N 0.00 1.38 -0.87 -0.54 2.07 -0.21 0.17 116.25 118.25 1jfj h VAL 113 Ca -0.00 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1jfj h VAL 113 Cb 0.32 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1jfj h VAL 113 CO 0.02 0.48 0.50 0.24 0.02 0.00 0.00 177.57 178.83 1jfj h MET 114 N -0.00 1.20 -0.00 1.57 2.86 -0.61 -1.67 114.93 118.27 1jfj h MET 114 Ca -0.01 -0.13 -0.16 0.00 -2.06 0.00 0.00 59.70 57.35 1jfj h MET 114 Cb 0.93 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1jfj h MET 114 CO 0.07 0.86 -0.77 0.87 1.06 0.00 0.00 176.91 179.00 1jfj h LYS 115 N 1.20 0.01 -0.05 1.72 1.57 -1.16 -3.21 116.57 116.67 1jfj h LYS 115 Ca 0.31 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1jfj h LYS 115 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1jfj h LYS 115 CO -0.05 0.78 -0.03 0.00 -0.57 0.00 0.00 179.45 179.57 1jfj h ALA 116 N 1.22 0.02 -0.96 3.86 0.00 0.16 -3.29 119.26 120.27 1jfj h ALA 116 Ca -0.01 0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.28 1jfj h ALA 116 Cb 1.36 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 1jfj h ALA 116 CO 0.10 -0.51 1.92 0.34 0.00 0.00 0.00 179.25 181.10 1jfj s ASP 117 N -5.17 6.69 -0.21 0.00 -1.08 -0.71 -4.63 116.67 111.57 1jfj s ASP 117 Ca -0.13 -2.04 -0.07 0.00 -0.52 0.00 0.00 52.55 49.78 1jfj s ASP 117 Cb 0.07 -2.58 -0.19 0.00 -1.46 0.00 0.00 42.92 38.76 1jfj s ASP 117 CO 0.67 -1.32 0.00 0.00 0.52 0.00 0.00 175.17 175.04 1jfj n ALA 118 N 8.63 1.12 -0.27 3.66 0.00 -1.24 -4.22 120.51 128.20 1jfj n ALA 118 Ca 0.43 -0.85 0.13 0.00 0.00 0.00 0.00 53.44 53.15 1jfj n ALA 118 Cb 0.48 -0.31 0.40 0.00 0.00 0.00 0.00 19.45 20.02 1jfj n ALA 118 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jfj h ASN 119 N -0.30 0.61 -1.84 0.00 7.08 -1.92 -3.47 115.58 115.74 1jfj h ASN 119 Ca -0.52 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 1jfj h ASN 119 Cb 1.81 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.97 1jfj h ASN 119 CO -0.11 0.29 0.00 0.61 -2.08 0.00 0.00 177.43 176.14 1jfj n GLY 120 N -1.44 -1.48 1.59 9.14 0.00 -1.26 -5.08 105.19 106.65 1jfj n GLY 120 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1jfj n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfj n ASP 121 N 0.00 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 119.85 1jfj n ASP 121 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jfj n ASP 121 Cb 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfj n GLY 122 N -1.13 1.27 3.30 0.44 0.00 -1.26 -5.08 105.19 102.72 1jfj n GLY 122 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1jfj n GLY 122 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfj s TYR 123 N -0.65 1.63 0.33 1.61 -0.85 -1.26 -3.10 117.35 115.06 1jfj s TYR 123 Ca 0.00 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1jfj s TYR 123 Cb 0.00 -0.81 -0.00 0.00 0.38 0.00 0.00 41.96 41.53 1jfj s TYR 123 CO 0.00 0.26 0.02 0.44 -1.52 0.00 0.00 175.55 174.75 1jfj n ILE 124 N 0.19 0.00 -4.01 -3.49 -5.35 0.14 -4.97 119.36 101.87 1jfj n ILE 124 Ca -0.13 -1.63 -0.05 0.00 -0.27 0.00 0.00 62.75 60.68 1jfj n ILE 124 Cb 0.58 0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 38.83 1jfj n ILE 124 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1jfj n THR 125 N -0.82 0.00 0.00 7.28 -2.24 -1.26 -1.43 114.28 115.81 1jfj n THR 125 Ca -0.13 -0.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.85 1jfj n THR 125 Cb 0.43 0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 1jfj n THR 125 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jfj h LEU 126 N 0.00 0.81 -0.00 3.22 3.38 -1.93 -1.68 115.31 119.10 1jfj h LEU 126 Ca -0.06 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.21 1jfj h LEU 126 Cb 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jfj h LEU 126 CO 0.09 1.39 -0.00 -0.08 0.09 0.00 0.00 178.44 179.93 1jfj h GLU 127 N 0.30 0.01 -0.70 1.13 4.81 -1.97 0.24 114.58 118.39 1jfj h GLU 127 Ca -0.08 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1jfj h GLU 127 Cb 1.45 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.79 1jfj h GLU 127 CO 0.16 0.38 0.46 1.49 -0.73 0.00 0.00 179.01 180.77 1jfj h GLU 128 N -0.37 0.83 -0.25 1.92 4.81 -1.96 -0.80 114.58 118.76 1jfj h GLU 128 Ca 0.00 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 1jfj h GLU 128 Cb 0.38 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1jfj h GLU 128 CO 0.00 0.55 -0.53 0.35 -0.73 0.00 0.00 179.01 178.65 1jfj h PHE 129 N 0.85 0.89 -0.48 0.92 3.04 -1.16 0.68 116.94 121.68 1jfj h PHE 129 Ca 0.28 -0.31 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1jfj h PHE 129 Cb 0.05 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1jfj h PHE 129 CO -0.00 1.09 0.23 1.25 -2.02 0.00 0.00 178.31 178.85 1jfj h LEU 130 N 0.55 0.64 -0.66 0.59 6.46 0.07 0.83 115.31 123.79 1jfj h LEU 130 Ca 0.02 -0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.50 1jfj h LEU 130 Cb 1.10 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1jfj h LEU 130 CO 0.11 0.59 -0.62 -0.08 -0.62 0.00 0.00 178.44 177.82 1jfj h GLU 131 N 0.64 0.18 -0.26 1.25 4.81 -1.12 -3.03 114.58 117.04 1jfj h GLU 131 Ca 0.17 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1jfj h GLU 131 Cb 0.13 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1jfj h GLU 131 CO -0.02 0.74 -0.28 0.35 -0.73 0.00 0.00 179.01 179.07 1jfj h PHE 132 N 0.13 0.59 -0.95 0.92 3.57 -0.33 -2.60 116.94 118.27 1jfj h PHE 132 Ca -0.01 -0.13 0.28 0.00 3.53 0.00 0.00 57.97 61.63 1jfj h PHE 132 Cb 1.13 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1jfj h PHE 132 CO 0.02 0.75 0.69 1.03 -2.23 0.00 0.00 178.31 178.57 1jfj h SER 133 N 0.45 0.00 0.00 0.41 0.87 -0.72 -3.51 113.55 111.06 1jfj h SER 133 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1jfj h SER 133 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1jfj h SER 133 CO 0.06 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.25