#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 2.62 -0.97 3.04 0.00 -2.06 0.81 119.26 122.71 1jfj h ALA 2 Ca 0.00 0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.35 1jfj h ALA 2 Cb 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 17.88 1jfj h ALA 2 CO 0.00 -1.33 0.08 1.05 0.00 0.00 0.00 179.25 179.05 1jfj h GLU 3 N 0.03 0.03 0.02 0.00 4.11 -2.02 0.59 114.58 117.35 1jfj h GLU 3 Ca 0.86 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 60.29 1jfj h GLU 3 Cb 2.61 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.85 1jfj h GLU 3 CO -0.54 0.02 -0.01 0.00 0.07 0.00 0.00 179.01 178.55 1jfj h ALA 4 N 1.95 -0.03 -0.63 1.06 0.00 0.20 -3.22 119.26 118.59 1jfj h ALA 4 Ca 0.60 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.38 1jfj h ALA 4 Cb 1.27 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1jfj h ALA 4 CO -0.87 -0.30 -0.49 -0.07 0.00 0.00 0.00 179.25 177.52 1jfj h LEU 5 N -0.46 -1.70 -1.35 0.00 -0.00 0.08 0.80 115.31 112.68 1jfj h LEU 5 Ca -0.00 0.26 0.47 0.00 -0.00 0.00 0.00 57.88 58.61 1jfj h LEU 5 Cb 0.44 0.75 -0.14 0.00 -0.00 0.00 0.00 40.66 41.71 1jfj h LEU 5 CO 0.00 -0.33 0.86 0.33 -0.00 0.00 0.00 178.44 179.30 1jfj n PHE 6 N -5.38 0.73 -0.01 1.13 7.35 0.53 0.18 117.46 121.99 1jfj n PHE 6 Ca 0.01 0.73 -0.16 0.00 -0.76 0.00 0.00 57.45 57.27 1jfj n PHE 6 Cb 0.34 -1.17 -0.12 0.00 0.35 0.00 0.00 39.48 38.88 1jfj n PHE 6 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1jfj h LYS 7 N 0.00 0.26 0.77 -4.13 3.11 0.50 -3.06 116.57 114.02 1jfj h LYS 7 Ca 0.88 -0.30 -0.03 0.00 -2.81 0.00 0.00 60.65 58.39 1jfj h LYS 7 Cb 2.79 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 34.11 1jfj h LYS 7 CO -0.48 1.02 -0.46 1.49 -2.81 0.00 0.00 179.45 178.21 1jfj h GLU 8 N -0.37 -1.11 -1.44 1.90 4.81 0.36 -1.54 114.58 117.20 1jfj h GLU 8 Ca -0.05 0.08 0.42 0.00 -0.13 0.00 0.00 59.36 59.67 1jfj h GLU 8 Cb 1.17 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 30.74 1jfj h GLU 8 CO 0.08 -0.74 1.02 0.97 -0.73 0.00 0.00 179.01 179.61 1jfj h ILE 9 N -1.15 0.27 -0.42 2.32 6.09 -0.26 -3.04 117.51 121.32 1jfj h ILE 9 Ca -0.10 -0.01 -0.61 0.00 -1.37 0.00 0.00 64.86 62.77 1jfj h ILE 9 Cb 0.91 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 38.40 1jfj h ILE 9 CO 0.12 0.01 2.22 0.47 -3.07 0.00 0.00 178.15 177.89 1jfj n ASP 10 N -4.17 3.87 -0.04 2.19 9.92 -0.58 -4.67 116.55 123.08 1jfj n ASP 10 Ca 0.32 -2.81 -0.01 0.00 -0.53 0.00 0.00 54.79 51.76 1jfj n ASP 10 Cb 1.48 -1.62 0.26 0.00 -0.64 0.00 0.00 41.12 40.60 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 5.11 1.21 -0.87 2.53 2.07 -1.74 -2.39 116.25 122.17 1jfj h VAL 11 Ca 0.43 -0.80 0.23 0.00 0.82 0.00 0.00 66.70 67.38 1jfj h VAL 11 Cb 0.79 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 31.30 1jfj h VAL 11 CO 1.60 0.28 0.29 0.78 0.02 0.00 0.00 177.57 180.54 1jfj h ASN 12 N 0.59 0.12 -0.61 0.57 4.21 -1.90 -3.45 115.58 115.10 1jfj h ASN 12 Ca 0.13 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1jfj h ASN 12 Cb 0.32 0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1jfj h ASN 12 CO 0.01 -0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.66 1jfj n GLY 13 N -1.36 0.81 0.17 2.83 0.00 -0.90 -5.01 105.19 101.73 1jfj n GLY 13 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 0.31 2.95 -0.13 1.61 5.68 -1.26 -5.05 116.55 120.66 1jfj n ASP 14 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1jfj n ASP 14 Cb 0.23 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 3.08 1.12 3.12 6.12 0.00 -1.26 -5.09 105.19 112.27 1jfj n GLY 15 Ca -0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.25 0.76 0.03 4.61 0.00 -1.26 -3.47 121.76 120.17 1jfj s ALA 16 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1jfj s ALA 16 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1jfj s ALA 16 CO 0.00 -0.20 0.01 1.33 0.00 0.00 0.00 175.76 176.89 1jfj n VAL 17 N 0.42 0.00 -3.84 0.00 0.24 0.14 -4.93 118.33 110.36 1jfj n VAL 17 Ca -0.16 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 1jfj n VAL 17 Cb 0.59 0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 1jfj n VAL 17 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jfj s SER 18 N -1.17 -0.24 0.26 -1.34 1.04 -1.26 -0.53 113.70 110.45 1jfj s SER 18 Ca 0.01 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 1jfj s SER 18 Cb 0.00 0.66 0.52 0.00 0.10 0.00 0.00 66.02 67.29 1jfj s SER 18 CO 0.01 -1.22 1.66 0.10 0.98 0.00 0.00 173.24 174.77 1jfj h TYR 19 N 2.10 0.21 -0.15 5.02 -0.00 -1.94 1.63 116.97 123.83 1jfj h TYR 19 Ca -0.23 0.05 -0.14 0.00 0.00 0.00 0.00 58.73 58.41 1jfj h TYR 19 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 36.73 38.02 1jfj h TYR 19 CO 0.39 -0.15 -0.44 1.49 -0.00 0.00 0.00 178.16 179.45 1jfj h GLU 20 N 0.21 0.57 -0.00 0.10 4.81 -1.96 -1.61 114.58 116.70 1jfj h GLU 20 Ca 0.45 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1jfj h GLU 20 Cb 0.81 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1jfj h GLU 20 CO -0.58 1.03 -0.17 1.49 -0.73 0.00 0.00 179.01 180.05 1jfj h GLU 21 N 0.22 0.01 0.34 1.92 4.81 -1.35 0.38 114.58 120.90 1jfj h GLU 21 Ca -0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1jfj h GLU 21 Cb 1.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1jfj h GLU 21 CO 0.09 0.18 -0.16 0.28 -0.73 0.00 0.00 179.01 178.67 1jfj h VAL 22 N 0.01 0.00 -0.31 0.32 2.07 0.24 -0.36 116.25 118.22 1jfj h VAL 22 Ca -0.00 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1jfj h VAL 22 Cb 0.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1jfj h VAL 22 CO 0.02 0.00 0.22 0.07 0.02 0.00 0.00 177.57 177.91 1jfj h LYS 23 N -1.08 0.00 -0.17 1.57 5.09 -1.19 0.25 116.57 121.04 1jfj h LYS 23 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.61 1jfj h LYS 23 Cb 0.35 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.68 1jfj h LYS 23 CO 0.08 0.00 -0.22 0.00 -2.09 0.00 0.00 179.45 177.22 1jfj h ALA 24 N 1.84 0.25 0.40 0.07 0.00 -0.23 0.16 119.26 121.76 1jfj h ALA 24 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jfj h ALA 24 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jfj h ALA 24 CO -0.00 0.21 -0.30 0.35 0.00 0.00 0.00 179.25 179.50 1jfj h PHE 25 N 0.09 -0.80 -0.11 0.00 3.57 0.82 -2.11 116.94 118.40 1jfj h PHE 25 Ca 0.02 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1jfj h PHE 25 Cb 0.78 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1jfj h PHE 25 CO 0.09 -0.45 -0.16 -0.24 -2.23 0.00 0.00 178.31 175.32 1jfj h VAL 26 N -0.70 1.18 -0.95 1.41 3.04 -1.30 -2.51 116.25 116.42 1jfj h VAL 26 Ca -0.04 -0.80 0.27 0.00 -1.01 0.00 0.00 66.70 65.13 1jfj h VAL 26 Cb 0.60 1.28 -0.14 0.00 -2.01 0.00 0.00 31.29 31.01 1jfj h VAL 26 CO 0.00 0.24 0.42 -1.28 -1.01 0.00 0.00 177.57 175.95 1jfj h SER 27 N 0.16 0.29 -1.95 3.17 0.87 0.04 0.86 113.55 117.00 1jfj h SER 27 Ca 0.03 0.19 0.56 0.00 -1.23 0.00 0.00 61.79 61.35 1jfj h SER 27 Cb 0.39 0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.46 1jfj h SER 27 CO 0.03 -0.12 1.41 0.50 -0.53 0.00 0.00 176.83 178.12 1jfj h LYS 28 N 0.30 0.00 0.00 2.24 3.11 -1.31 -2.04 116.57 118.86 1jfj h LYS 28 Ca 0.64 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.48 1jfj h LYS 28 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 1jfj h LYS 28 CO -0.62 0.00 0.00 1.17 -2.81 0.00 0.00 179.45 177.19 1jfj n LYS 29 N -3.93 0.00 -2.26 1.90 4.81 0.30 -5.07 118.16 113.90 1jfj n LYS 29 Ca 0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.85 1jfj n LYS 29 Cb 2.00 -0.46 -0.01 0.00 0.02 0.00 0.00 35.03 36.58 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 -0.54 0.08 -2.80 1.64 5.12 -0.77 -5.09 116.66 114.30 1jfj n ARG 30 Ca 0.00 -0.51 -0.11 0.00 -1.93 0.00 0.00 57.85 55.30 1jfj n ARG 30 Cb 0.00 0.44 0.04 0.00 -1.16 0.00 0.00 32.46 31.77 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 -2.63 2.34 -1.89 7.54 0.00 -1.26 -4.14 120.51 120.46 1jfj n ALA 31 Ca -0.02 -2.71 -0.40 0.00 0.00 0.00 0.00 53.44 50.31 1jfj n ALA 31 Cb 0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.05 4.92 -3.07 0.00 0.00 -1.26 -4.52 119.36 115.39 1jfj n ILE 32 Ca 0.10 -3.95 -0.23 0.00 0.00 0.00 0.00 62.75 58.68 1jfj n ILE 32 Cb 0.78 -2.23 0.04 0.00 0.00 0.00 0.00 39.64 38.23 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1jfj n LYS 33 N 2.44 -5.23 0.13 9.51 4.76 -1.26 -4.86 118.16 123.65 1jfj n LYS 33 Ca 0.63 0.91 -0.01 0.00 -2.87 0.00 0.00 58.31 56.97 1jfj n LYS 33 Cb 0.26 -5.79 0.12 0.00 -1.84 0.00 0.00 35.03 27.78 1jfj n LYS 33 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1jfj h ASN 34 N -1.53 0.00 0.57 4.39 -0.73 -1.91 -3.08 115.58 113.29 1jfj h ASN 34 Ca -0.54 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 57.61 1jfj h ASN 34 Cb 1.37 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.96 1jfj h ASN 34 CO 0.57 0.65 -0.27 -0.08 -0.37 0.00 0.00 177.43 177.93 1jfj h GLU 35 N 0.00 -0.74 0.16 6.67 4.81 -1.91 0.60 114.58 124.18 1jfj h GLU 35 Ca -0.01 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1jfj h GLU 35 Cb 1.26 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1jfj h GLU 35 CO 0.08 -0.46 -0.43 0.37 -0.73 0.00 0.00 179.01 177.84 1jfj h GLN 36 N -0.85 -0.64 0.31 1.92 4.15 -1.96 0.60 115.11 118.64 1jfj h GLN 36 Ca -0.08 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1jfj h GLN 36 Cb 0.62 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 1jfj h GLN 36 CO 0.13 -0.42 -0.49 1.25 -1.93 0.00 0.00 178.83 177.36 1jfj h LEU 37 N -0.66 -1.41 -1.99 -2.39 7.12 -1.56 0.18 115.31 114.60 1jfj h LEU 37 Ca -0.02 0.13 0.39 0.00 0.13 0.00 0.00 57.88 58.51 1jfj h LEU 37 Cb 0.64 0.49 -0.05 0.00 -0.53 0.00 0.00 40.66 41.21 1jfj h LEU 37 CO -0.20 -0.59 0.96 0.25 -0.13 0.00 0.00 178.44 178.73 1jfj h LEU 38 N -0.85 0.01 0.13 2.25 6.46 0.42 0.49 115.31 124.22 1jfj h LEU 38 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1jfj h LEU 38 Cb 0.78 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1jfj h LEU 38 CO -0.16 -0.00 -0.06 -0.61 -0.62 0.00 0.00 178.44 176.99 1jfj h GLN 39 N 0.01 -0.17 0.03 1.25 4.15 0.32 0.46 115.11 121.15 1jfj h GLN 39 Ca 0.63 0.01 0.03 0.00 0.77 0.00 0.00 58.65 60.10 1jfj h GLN 39 Cb 2.54 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 30.22 1jfj h GLN 39 CO -0.01 0.17 -0.30 1.25 -1.93 0.00 0.00 178.83 178.01 1jfj h LEU 40 N -0.54 -0.88 0.74 -2.39 7.12 0.12 0.20 115.31 119.67 1jfj h LEU 40 Ca -0.02 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.07 1jfj h LEU 40 Cb 0.43 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1jfj h LEU 40 CO 0.03 -0.37 -0.42 -0.29 -0.13 0.00 0.00 178.44 177.26 1jfj h ILE 41 N -0.47 0.14 -0.77 4.05 6.09 -1.29 -1.56 117.51 123.71 1jfj h ILE 41 Ca 0.05 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.62 1jfj h ILE 41 Cb 0.54 0.14 -0.10 0.00 0.47 0.00 0.00 36.82 37.87 1jfj h ILE 41 CO -0.23 0.00 -0.52 0.15 -3.07 0.00 0.00 178.15 174.47 1jfj h PHE 42 N -1.08 -1.66 -0.35 2.19 3.04 0.21 0.77 116.94 120.05 1jfj h PHE 42 Ca -0.10 0.11 0.06 0.00 3.98 0.00 0.00 57.97 62.02 1jfj h PHE 42 Cb 0.86 0.83 -0.08 0.00 2.56 0.00 0.00 35.95 40.11 1jfj h PHE 42 CO -0.08 -0.36 -0.45 -0.22 -2.02 0.00 0.00 178.31 175.19 1jfj h LYS 43 N -0.09 -0.36 -1.06 1.11 3.64 -0.53 0.92 116.57 120.21 1jfj h LYS 43 Ca 0.12 0.02 0.35 0.00 -1.27 0.00 0.00 60.65 59.88 1jfj h LYS 43 Cb 0.41 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.16 1jfj h LYS 43 CO -0.77 -0.24 0.62 1.03 -2.27 0.00 0.00 179.45 177.82 1jfj h SER 44 N -0.37 0.45 0.15 4.20 0.87 0.12 0.84 113.55 119.80 1jfj h SER 44 Ca 0.12 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1jfj h SER 44 Cb 0.60 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1jfj h SER 44 CO -0.54 -0.16 -0.07 0.40 -0.53 0.00 0.00 176.83 175.93 1jfj h ILE 45 N 0.26 0.64 -3.31 2.23 1.08 0.18 -3.41 117.51 115.18 1jfj h ILE 45 Ca 0.75 -1.17 -0.74 0.00 -0.39 0.00 0.00 64.86 63.32 1jfj h ILE 45 Cb 1.88 1.12 -0.28 0.00 -3.07 0.00 0.00 36.82 36.46 1jfj h ILE 45 CO -0.57 0.18 -0.30 -0.62 -0.69 0.00 0.00 178.15 176.16 1jfj s ASP 46 N -5.49 5.91 -0.00 1.72 2.15 0.27 -4.79 116.67 116.43 1jfj s ASP 46 Ca -0.10 -2.01 0.01 0.00 0.43 0.00 0.00 52.55 50.87 1jfj s ASP 46 Cb -0.00 -2.07 0.01 0.00 -0.30 0.00 0.00 42.92 40.56 1jfj s ASP 46 CO 0.36 -0.71 0.82 0.00 -0.17 0.00 0.00 175.17 175.47 1jfj n ALA 47 N 4.82 1.65 -0.53 3.66 0.00 -0.97 -4.30 120.51 124.85 1jfj n ALA 47 Ca -0.06 -0.87 -0.14 0.00 0.00 0.00 0.00 53.44 52.36 1jfj n ALA 47 Cb 0.41 -0.02 0.06 0.00 0.00 0.00 0.00 19.45 19.90 1jfj n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jfj n ASP 48 N -0.34 5.12 -3.39 0.00 5.75 -1.26 -4.80 116.55 117.63 1jfj n ASP 48 Ca 0.01 -2.93 -0.23 0.00 -0.01 0.00 0.00 54.79 51.62 1jfj n ASP 48 Cb 0.36 -0.89 -0.01 0.00 -1.03 0.00 0.00 41.12 39.56 1jfj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 49 N 0.08 -0.48 0.10 6.12 0.00 -1.26 -4.83 105.19 104.92 1jfj n GLY 49 Ca 0.29 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 1jfj n GLY 49 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jfj h ASN 50 N -0.91 0.12 0.00 1.61 -0.00 -1.87 -3.48 115.58 111.05 1jfj h ASN 50 Ca -0.42 -0.72 0.00 0.00 -0.00 0.00 0.00 56.30 55.16 1jfj h ASN 50 Cb 1.28 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1jfj h ASN 50 CO 0.53 1.44 0.00 0.61 -0.00 0.00 0.00 177.43 180.01 1jfj n GLY 51 N 1.57 2.96 3.59 1.57 0.00 -1.26 -4.95 105.19 108.67 1jfj n GLY 51 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.19 2.01 0.29 1.61 2.02 -1.26 -3.74 118.70 119.44 1jfj s GLU 52 Ca 0.00 -2.25 -0.04 0.00 0.02 0.00 0.00 54.97 52.71 1jfj s GLU 52 Cb 0.00 -0.90 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 1jfj s GLU 52 CO 0.00 -0.44 0.39 0.96 0.02 0.00 0.00 175.26 176.20 1jfj s ILE 53 N -3.10 0.00 0.25 -1.63 -4.36 0.31 -4.93 121.20 107.74 1jfj s ILE 53 Ca 0.18 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1jfj s ILE 53 Cb 0.02 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.24 1jfj s ILE 53 CO 0.11 0.00 0.01 -0.90 0.24 0.00 0.00 174.94 174.40 1jfj n ASP 54 N -0.95 2.67 0.38 4.36 5.68 -1.26 0.26 116.55 127.69 1jfj n ASP 54 Ca 0.01 -2.10 -0.19 0.00 -0.50 0.00 0.00 54.79 52.02 1jfj n ASP 54 Cb 0.63 0.17 -0.09 0.00 -1.14 0.00 0.00 41.12 40.68 1jfj n ASP 54 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1jfj h GLN 55 N 0.00 -1.00 0.35 0.11 4.20 -1.95 0.47 115.11 117.30 1jfj h GLN 55 Ca -0.21 0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1jfj h GLN 55 Cb 0.63 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1jfj h GLN 55 CO 0.34 -0.67 -0.51 -0.91 -0.67 0.00 0.00 178.83 176.41 1jfj h ASN 56 N -1.04 -1.46 -1.01 1.46 4.21 -1.97 0.97 115.58 116.74 1jfj h ASN 56 Ca -0.09 0.13 0.24 0.00 1.21 0.00 0.00 56.30 57.79 1jfj h ASN 56 Cb 0.84 0.50 -0.11 0.00 -1.12 0.00 0.00 38.32 38.43 1jfj h ASN 56 CO 0.09 -0.62 0.62 -0.33 -1.29 0.00 0.00 177.43 175.90 1jfj h GLU 57 N -0.91 0.54 -0.19 0.81 5.08 -1.94 0.14 114.58 118.12 1jfj h GLU 57 Ca -0.04 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1jfj h GLU 57 Cb 0.83 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jfj h GLU 57 CO -0.15 0.36 -0.24 0.35 -1.00 0.00 0.00 179.01 178.33 1jfj h PHE 58 N 0.56 0.61 -0.67 4.33 3.57 0.14 0.18 116.94 125.65 1jfj h PHE 58 Ca 0.62 -0.19 0.12 0.00 3.53 0.00 0.00 57.97 62.04 1jfj h PHE 58 Cb 1.24 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 1jfj h PHE 58 CO -0.00 0.88 0.24 0.00 -2.23 0.00 0.00 178.31 177.19 1jfj h ALA 59 N 0.62 0.89 0.11 2.41 0.00 0.36 0.29 119.26 123.94 1jfj h ALA 59 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jfj h ALA 59 Cb 0.80 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jfj h ALA 59 CO 0.06 -0.22 -0.05 0.87 0.00 0.00 0.00 179.25 179.90 1jfj h LYS 60 N 0.39 -0.15 -0.96 0.00 1.79 -1.13 -3.12 116.57 113.40 1jfj h LYS 60 Ca 0.35 0.01 0.26 0.00 -2.18 0.00 0.00 60.65 59.10 1jfj h LYS 60 Cb 0.50 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.05 1jfj h LYS 60 CO -0.37 0.27 0.49 0.35 -1.08 0.00 0.00 179.45 179.11 1jfj h PHE 61 N -0.62 0.81 -1.00 -1.35 3.04 -0.13 0.75 116.94 118.44 1jfj h PHE 61 Ca -0.02 0.04 0.26 0.00 3.98 0.00 0.00 57.97 62.23 1jfj h PHE 61 Cb 0.49 -0.20 -0.07 0.00 2.56 0.00 0.00 35.95 38.72 1jfj h PHE 61 CO 0.07 -0.08 0.67 -0.92 -2.02 0.00 0.00 178.31 176.03 1jfj h TYR 62 N 0.40 0.45 0.00 0.41 3.20 -0.40 -3.41 116.97 117.63 1jfj h TYR 62 Ca 0.64 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.53 1jfj h TYR 62 Cb 1.32 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1jfj h TYR 62 CO -0.07 0.07 0.00 0.41 -1.64 0.00 0.00 178.16 176.92 1jfj n GLY 63 N -1.56 -1.43 0.39 1.82 0.00 0.22 -5.05 105.19 99.59 1jfj n GLY 63 Ca 0.23 0.79 -0.08 0.00 0.00 0.00 0.00 46.02 46.96 1jfj n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfj n SER 64 N 0.00 -0.91 0.00 1.61 7.64 0.11 -4.75 113.62 117.31 1jfj n SER 64 Ca 0.00 1.68 0.00 0.00 1.01 0.00 0.00 58.87 61.56 1jfj n SER 64 Cb 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jfj n ILE 65 N -5.24 0.00 -3.61 0.44 3.06 -1.26 -5.02 119.36 107.73 1jfj n ILE 65 Ca 0.04 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.22 1jfj n ILE 65 Cb 0.28 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.48 1jfj n ILE 65 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jfj n GLN 66 N -0.56 0.87 0.00 9.51 6.02 -1.26 -5.19 117.38 126.77 1jfj n GLN 66 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1jfj n GLN 66 Cb 0.00 2.13 0.00 0.00 1.02 0.00 0.00 30.24 33.39 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jfj n GLY 67 N -0.41 3.71 3.65 1.08 0.00 -1.26 -5.11 105.19 106.85 1jfj n GLY 67 Ca -0.07 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 1jfj n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jfj s GLN 68 N 2.54 2.02 0.35 1.61 -0.21 -1.26 -5.15 119.66 119.55 1jfj s GLN 68 Ca 0.00 -2.09 0.07 0.00 0.02 0.00 0.00 55.36 53.36 1jfj s GLN 68 Cb 0.00 -1.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.30 1jfj s GLN 68 CO 0.00 -0.09 0.32 -0.51 -2.12 0.00 0.00 175.29 172.90 1jfj s ASP 69 N -3.76 5.34 0.33 5.90 1.01 -1.26 -5.01 116.67 119.22 1jfj s ASP 69 Ca 0.34 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.11 1jfj s ASP 69 Cb 0.08 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1jfj s ASP 69 CO 0.18 -0.40 0.00 0.18 0.21 0.00 0.00 175.17 175.34 1jfj n LEU 70 N -1.43 -2.85 -0.23 1.23 4.77 -1.26 -4.91 117.00 112.32 1jfj n LEU 70 Ca -0.01 0.63 0.22 0.00 -0.03 0.00 0.00 56.01 56.81 1jfj n LEU 70 Cb 0.60 2.80 0.56 0.00 -2.33 0.00 0.00 43.42 45.05 1jfj n LEU 70 CO 0.42 0.03 1.23 0.77 -1.33 0.00 0.00 177.39 178.51 1jfj h SER 71 N 0.00 0.31 -1.38 -1.43 4.64 -2.01 0.37 113.55 114.05 1jfj h SER 71 Ca 0.00 0.04 0.40 0.00 -0.47 0.00 0.00 61.79 61.76 1jfj h SER 71 Cb 0.00 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.02 1jfj h SER 71 CO 0.00 0.11 1.00 0.44 -0.87 0.00 0.00 176.83 177.51 1jfj h ASP 72 N 0.30 0.00 -0.71 4.97 5.19 -1.98 1.50 116.42 125.70 1jfj h ASP 72 Ca 0.47 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1jfj h ASP 72 Cb 1.34 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 1jfj h ASP 72 CO -0.15 0.00 0.43 -0.78 -3.12 0.00 0.00 179.24 175.62 1jfj h ASP 73 N 0.00 0.84 0.36 6.45 1.82 -0.64 -1.55 116.42 123.71 1jfj h ASP 73 Ca 0.65 -0.06 -0.20 0.00 -0.39 0.00 0.00 57.03 57.04 1jfj h ASP 73 Cb 2.64 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 42.44 1jfj h ASP 73 CO -0.01 0.65 -0.81 0.07 -1.61 0.00 0.00 179.24 177.53 1jfj h LYS 74 N 0.96 0.35 -0.29 0.28 2.10 0.19 -2.94 116.57 117.21 1jfj h LYS 74 Ca 0.25 -0.32 0.09 0.00 -2.00 0.00 0.00 60.65 58.67 1jfj h LYS 74 Cb -0.04 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1jfj h LYS 74 CO -0.05 0.99 0.21 0.97 -2.00 0.00 0.00 179.45 179.58 1jfj h ILE 75 N 0.22 0.83 0.77 0.07 6.09 -0.35 0.34 117.51 125.48 1jfj h ILE 75 Ca -0.05 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.41 1jfj h ILE 75 Cb 1.41 0.85 0.01 0.00 0.47 0.00 0.00 36.82 39.56 1jfj h ILE 75 CO 0.14 0.00 -0.37 1.23 -3.07 0.00 0.00 178.15 176.07 1jfj h GLY 76 N 0.00 -1.09 0.99 8.18 0.00 -1.11 -0.21 103.07 109.84 1jfj h GLY 76 Ca 0.14 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1jfj h GLY 76 CO -0.00 -0.39 -0.13 -2.00 0.00 0.00 0.00 176.54 174.02 1jfj h LEU 77 N -1.15 -0.30 -0.63 3.11 5.85 -1.49 -1.37 115.31 119.32 1jfj h LEU 77 Ca -0.11 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1jfj h LEU 77 Cb 0.81 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 1jfj h LEU 77 CO 0.17 -0.21 -0.46 0.11 -0.34 0.00 0.00 178.44 177.72 1jfj h LYS 78 N -0.37 -0.20 0.06 1.25 1.57 -0.97 0.24 116.57 118.15 1jfj h LYS 78 Ca -0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1jfj h LYS 78 Cb 0.28 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1jfj h LYS 78 CO 0.06 -0.13 -0.54 0.28 -0.57 0.00 0.00 179.45 178.55 1jfj h VAL 79 N -0.21 0.00 -0.80 0.50 2.07 -0.81 -0.35 116.25 116.65 1jfj h VAL 79 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1jfj h VAL 79 Cb 0.56 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1jfj h VAL 79 CO -0.72 0.00 -0.58 -0.07 0.02 0.00 0.00 177.57 176.22 1jfj h LEU 80 N -0.72 -2.06 -0.95 2.57 3.38 0.05 0.88 115.31 118.47 1jfj h LEU 80 Ca 0.00 0.30 0.26 0.00 0.09 0.00 0.00 57.88 58.53 1jfj h LEU 80 Cb 0.74 0.89 -0.13 0.00 0.09 0.00 0.00 40.66 42.25 1jfj h LEU 80 CO -0.33 -0.28 0.47 1.88 0.09 0.00 0.00 178.44 180.27 1jfj h TYR 81 N -0.13 0.77 -0.27 1.13 -1.99 0.06 0.42 116.97 116.97 1jfj h TYR 81 Ca 0.13 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 1jfj h TYR 81 Cb 0.47 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1jfj h TYR 81 CO -0.93 -0.08 0.05 -0.22 -0.00 0.00 0.00 178.16 176.98 1jfj h LYS 82 N 0.40 0.43 0.10 4.88 3.11 0.23 -2.57 116.57 123.15 1jfj h LYS 82 Ca 0.63 -0.11 0.02 0.00 -2.81 0.00 0.00 60.65 58.38 1jfj h LYS 82 Cb 1.27 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 32.41 1jfj h LYS 82 CO -0.56 0.54 -0.34 -0.07 -2.81 0.00 0.00 179.45 176.22 1jfj h LEU 83 N 0.26 -0.99 -0.62 5.20 3.38 0.37 -2.49 115.31 120.41 1jfj h LEU 83 Ca 0.08 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1jfj h LEU 83 Cb 0.31 0.38 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1jfj h LEU 83 CO 0.00 -0.42 -0.41 0.24 0.09 0.00 0.00 178.44 177.94 1jfj h MET 84 N -0.56 -0.18 -6.13 1.13 2.86 -0.85 -3.26 114.93 107.94 1jfj h MET 84 Ca 0.03 0.01 -0.52 0.00 -2.06 0.00 0.00 59.70 57.17 1jfj h MET 84 Cb 0.60 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.22 1jfj h MET 84 CO -0.21 -0.12 1.20 0.34 1.06 0.00 0.00 176.91 179.18 1jfj s ASP 85 N -5.19 5.97 0.02 1.22 2.15 -0.94 -4.71 116.67 115.20 1jfj s ASP 85 Ca -0.14 -0.64 0.22 0.00 0.43 0.00 0.00 52.55 52.41 1jfj s ASP 85 Cb 0.14 -2.56 -0.24 0.00 -0.30 0.00 0.00 42.92 39.96 1jfj s ASP 85 CO 0.67 -1.95 0.60 0.55 -0.17 0.00 0.00 175.17 174.87 1jfj n VAL 86 N 6.87 0.31 -0.01 1.11 3.14 -1.23 -4.27 118.33 124.24 1jfj n VAL 86 Ca 0.20 -0.55 -0.10 0.00 -2.96 0.00 0.00 64.34 60.93 1jfj n VAL 86 Cb 0.50 -0.15 -0.04 0.00 -1.06 0.00 0.00 33.84 33.08 1jfj n VAL 86 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1jfj h ASP 87 N 0.00 -0.00 0.00 6.55 3.04 -1.92 -3.48 116.42 120.61 1jfj h ASP 87 Ca -0.05 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1jfj h ASP 87 Cb 1.12 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 1jfj h ASP 87 CO 0.00 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 1jfj n GLY 88 N -1.14 0.77 0.42 7.15 0.00 -1.26 -5.08 105.19 106.05 1jfj n GLY 88 Ca -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 1jfj n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfj n ASP 89 N 0.00 2.14 0.00 1.61 8.00 -1.26 -5.04 116.55 122.00 1jfj n ASP 89 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1jfj n ASP 89 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfj n GLY 90 N 3.08 2.97 3.42 0.44 0.00 -1.26 -5.01 105.19 108.83 1jfj n GLY 90 Ca -0.06 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.52 0.30 1.61 -2.85 -1.26 -3.88 119.74 115.18 1jfj s LYS 91 Ca 0.00 -1.50 0.03 0.00 -1.00 0.00 0.00 55.97 53.50 1jfj s LYS 91 Cb 0.00 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.87 1jfj s LYS 91 CO 0.00 0.41 0.14 -0.48 0.10 0.00 0.00 175.35 175.51 1jfj s LEU 92 N -2.61 1.71 0.36 2.77 0.05 -0.50 -4.98 118.68 115.47 1jfj s LEU 92 Ca 0.20 -1.51 0.09 0.00 0.05 0.00 0.00 54.13 52.96 1jfj s LEU 92 Cb -0.08 0.10 -0.07 0.00 -2.05 0.00 0.00 46.19 44.09 1jfj s LEU 92 CO 0.10 -0.84 -0.06 0.42 -0.55 0.00 0.00 176.35 175.42 1jfj s THR 93 N -3.60 2.20 0.40 5.48 -4.23 -1.26 -0.23 115.64 114.40 1jfj s THR 93 Ca 0.35 -2.13 0.11 0.00 -1.18 0.00 0.00 61.69 58.85 1jfj s THR 93 Cb 0.06 -2.76 0.32 0.00 1.34 0.00 0.00 72.50 71.46 1jfj s THR 93 CO 0.16 -0.14 1.95 0.07 -0.54 0.00 0.00 174.62 176.11 1jfj h LYS 94 N 1.93 0.53 -0.22 3.99 5.09 -1.23 0.60 116.57 127.26 1jfj h LYS 94 Ca -0.43 -0.03 -0.19 0.00 0.09 0.00 0.00 60.65 60.09 1jfj h LYS 94 Cb 1.25 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.46 1jfj h LYS 94 CO 0.73 0.35 -0.61 0.93 -2.09 0.00 0.00 179.45 178.76 1jfj h GLU 95 N 0.54 0.76 0.58 0.07 5.08 -1.96 0.16 114.58 119.81 1jfj h GLU 95 Ca 0.33 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1jfj h GLU 95 Cb 0.55 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1jfj h GLU 95 CO -0.11 1.14 -0.29 1.49 -1.00 0.00 0.00 179.01 180.25 1jfj h GLU 96 N 0.56 -0.76 -0.47 2.33 4.81 -1.33 -1.24 114.58 118.48 1jfj h GLU 96 Ca -0.01 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1jfj h GLU 96 Cb 1.21 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1jfj h GLU 96 CO 0.13 -0.51 0.09 -0.24 -0.73 0.00 0.00 179.01 177.75 1jfj h VAL 97 N -0.79 1.22 0.03 0.32 3.04 -1.21 -0.43 116.25 118.42 1jfj h VAL 97 Ca -0.08 -0.80 0.03 0.00 -1.01 0.00 0.00 66.70 64.84 1jfj h VAL 97 Cb 0.61 0.76 -0.05 0.00 -2.01 0.00 0.00 31.29 30.60 1jfj h VAL 97 CO 0.12 0.29 -0.39 0.74 -1.01 0.00 0.00 177.57 177.33 1jfj h THR 98 N 0.70 0.20 0.29 3.17 2.02 -0.58 0.22 112.91 118.93 1jfj h THR 98 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1jfj h THR 98 Cb 0.31 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1jfj h THR 98 CO 0.00 0.00 -0.14 -1.28 0.37 0.00 0.00 175.52 174.47 1jfj h SER 99 N -0.56 -0.33 -0.91 4.18 0.87 -1.05 0.19 113.55 115.93 1jfj h SER 99 Ca 0.05 -0.15 0.23 0.00 -1.23 0.00 0.00 61.79 60.69 1jfj h SER 99 Cb 0.63 0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 62.51 1jfj h SER 99 CO -0.28 -0.03 0.02 -0.26 -0.53 0.00 0.00 176.83 175.74 1jfj h PHE 100 N -0.65 -0.05 -0.04 2.24 0.04 -0.86 0.47 116.94 118.09 1jfj h PHE 100 Ca -0.04 0.07 -0.24 0.00 2.80 0.00 0.00 57.97 60.56 1jfj h PHE 100 Cb 0.46 0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.79 1jfj h PHE 100 CO 0.01 -0.36 -0.93 0.74 -0.60 0.00 0.00 178.31 177.17 1jfj h PHE 101 N 0.05 0.91 -0.68 -0.55 0.04 -0.46 -3.24 116.94 113.02 1jfj h PHE 101 Ca 0.53 -0.46 0.15 0.00 2.80 0.00 0.00 57.97 60.99 1jfj h PHE 101 Cb 1.04 -0.12 -0.11 0.00 2.20 0.00 0.00 35.95 38.96 1jfj h PHE 101 CO -0.48 1.29 0.06 -0.22 -0.60 0.00 0.00 178.31 178.36 1jfj h LYS 102 N 0.38 0.16 -1.43 1.51 1.63 0.30 1.02 116.57 120.14 1jfj h LYS 102 Ca -0.09 -0.01 0.42 0.00 -0.85 0.00 0.00 60.65 60.12 1jfj h LYS 102 Cb 1.56 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 33.09 1jfj h LYS 102 CO 0.18 0.10 1.02 0.87 -3.45 0.00 0.00 179.45 178.17 1jfj h LYS 103 N 0.16 0.03 0.00 1.90 1.57 -1.11 0.82 116.57 119.95 1jfj h LYS 103 Ca 0.37 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.90 1jfj h LYS 103 Cb 0.62 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1jfj h LYS 103 CO -0.55 0.02 -1.37 1.58 -0.57 0.00 0.00 179.45 178.56 1jfj n HIS 104 N -4.17 0.89 0.00 -1.35 -0.00 0.31 -5.01 115.22 105.89 1jfj n HIS 104 Ca 0.32 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.89 1jfj n HIS 104 Cb 1.47 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 1jfj n HIS 104 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jfj n GLY 105 N 1.42 1.22 2.63 1.57 0.00 0.99 -5.03 105.19 107.99 1jfj n GLY 105 Ca -0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1jfj n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jfj n ILE 106 N 0.00 3.71 0.13 -0.61 3.06 -1.20 -4.56 119.36 119.89 1jfj n ILE 106 Ca 0.00 -2.97 -0.00 0.00 -2.50 0.00 0.00 62.75 57.27 1jfj n ILE 106 Cb 0.00 -2.60 0.11 0.00 0.54 0.00 0.00 39.64 37.69 1jfj n ILE 106 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 1jfj h GLU 107 N 5.74 0.00 -0.75 9.51 4.11 -1.90 -3.31 114.58 127.98 1jfj h GLU 107 Ca 0.64 0.00 0.07 0.00 0.07 0.00 0.00 59.36 60.14 1jfj h GLU 107 Cb 0.55 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 1jfj h GLU 107 CO 1.85 0.63 -0.52 0.87 0.07 0.00 0.00 179.01 181.92 1jfj h LYS 108 N 0.00 -0.09 -1.15 1.06 1.79 -1.99 1.70 116.57 117.89 1jfj h LYS 108 Ca -0.01 0.01 0.35 0.00 -2.18 0.00 0.00 60.65 58.82 1jfj h LYS 108 Cb 1.27 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.83 1jfj h LYS 108 CO 0.08 -0.06 0.73 -0.24 -1.08 0.00 0.00 179.45 178.88 1jfj h VAL 109 N -0.09 0.31 -0.55 0.50 3.04 -1.97 1.33 116.25 118.82 1jfj h VAL 109 Ca 0.12 -0.08 0.04 0.00 -1.01 0.00 0.00 66.70 65.77 1jfj h VAL 109 Cb 0.41 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 29.68 1jfj h VAL 109 CO -0.75 0.04 0.29 0.00 -1.01 0.00 0.00 177.57 176.15 1jfj h ALA 110 N 1.66 0.71 -0.15 3.17 0.00 0.24 0.12 119.26 125.00 1jfj h ALA 110 Ca 0.72 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.44 1jfj h ALA 110 Cb 2.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1jfj h ALA 110 CO -0.41 -0.03 -0.72 1.49 0.00 0.00 0.00 179.25 179.58 1jfj h GLU 111 N 0.57 0.66 -0.20 0.00 4.22 0.23 -1.27 114.58 118.79 1jfj h GLU 111 Ca 0.24 -0.52 0.04 0.00 0.08 0.00 0.00 59.36 59.20 1jfj h GLU 111 Cb 0.12 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1jfj h GLU 111 CO -0.15 1.13 -0.03 0.37 -2.18 0.00 0.00 179.01 178.15 1jfj h GLN 112 N 0.46 0.02 -0.26 1.92 4.15 0.27 -1.11 115.11 120.56 1jfj h GLN 112 Ca -0.03 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1jfj h GLN 112 Cb 1.32 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1jfj h GLN 112 CO 0.14 0.01 -0.06 -0.24 -1.93 0.00 0.00 178.83 176.75 1jfj h VAL 113 N 0.02 1.28 -0.72 2.39 3.04 -0.81 0.45 116.25 121.90 1jfj h VAL 113 Ca 0.09 -1.07 0.14 0.00 -1.01 0.00 0.00 66.70 64.85 1jfj h VAL 113 Cb 0.14 1.45 -0.14 0.00 -2.01 0.00 0.00 31.29 30.73 1jfj h VAL 113 CO -0.19 0.34 -0.23 -0.03 -1.01 0.00 0.00 177.57 176.45 1jfj h MET 114 N 0.25 -0.04 -0.00 4.17 4.05 -0.74 0.56 114.93 123.17 1jfj h MET 114 Ca 0.07 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.32 1jfj h MET 114 Cb 0.53 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1jfj h MET 114 CO 0.03 -0.02 -0.78 -0.22 0.23 0.00 0.00 176.91 176.14 1jfj h LYS 115 N -0.04 0.05 0.18 0.39 3.64 -1.15 -2.70 116.57 116.94 1jfj h LYS 115 Ca 0.33 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1jfj h LYS 115 Cb 0.55 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1jfj h LYS 115 CO -0.75 0.80 -0.34 0.00 -2.27 0.00 0.00 179.45 176.89 1jfj h ALA 116 N 1.18 -0.63 -1.63 5.00 0.00 0.22 -3.28 119.26 120.13 1jfj h ALA 116 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jfj h ALA 116 Cb 1.38 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1jfj h ALA 116 CO 0.11 -0.91 0.00 -3.47 0.00 0.00 0.00 179.25 174.98 1jfj n ASP 117 N -5.44 0.00 -4.29 0.00 2.03 0.73 -4.85 116.55 104.73 1jfj n ASP 117 Ca -0.08 0.63 -0.32 0.00 0.52 0.00 0.00 54.79 55.55 1jfj n ASP 117 Cb 0.34 -0.23 -0.09 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.19 -2.04 -1.27 -1.67 0.00 -1.02 -4.79 120.51 108.53 1jfj n ALA 118 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.03 1jfj n ALA 118 Cb 0.00 -0.88 0.21 0.00 0.00 0.00 0.00 19.45 18.78 1jfj n ALA 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jfj n ASN 119 N -2.82 2.88 -2.28 0.00 6.94 -1.26 -4.92 115.26 113.80 1jfj n ASN 119 Ca -0.31 -3.46 -0.17 0.00 -0.02 0.00 0.00 54.58 50.62 1jfj n ASN 119 Cb 0.69 -0.58 0.03 0.00 -2.36 0.00 0.00 39.78 37.55 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jfj n GLY 120 N -0.96 -0.22 2.00 4.83 0.00 -1.26 -4.82 105.19 104.76 1jfj n GLY 120 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jfj n GLY 120 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 121 N -1.41 -0.24 0.00 1.61 -0.08 -1.26 -5.05 116.55 110.13 1jfj n ASP 121 Ca -0.09 0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1jfj n ASP 121 Cb 0.59 0.44 0.00 0.00 2.34 0.00 0.00 41.12 44.50 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jfj n GLY 122 N 1.45 0.50 3.40 0.27 0.00 -1.26 -5.00 105.19 104.55 1jfj n GLY 122 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 2.08 0.14 1.61 1.51 -1.26 -0.64 117.35 118.79 1jfj s TYR 123 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1jfj s TYR 123 Cb 0.00 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1jfj s TYR 123 CO 0.00 0.51 0.03 0.96 -1.11 0.00 0.00 175.55 175.94 1jfj s ILE 124 N -2.27 0.33 0.00 2.71 -4.36 0.68 -4.91 121.20 113.39 1jfj s ILE 124 Ca 0.23 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1jfj s ILE 124 Cb -0.05 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.63 1jfj s ILE 124 CO 0.10 -0.51 0.00 0.35 0.24 0.00 0.00 174.94 175.12 1jfj n THR 125 N -0.13 0.00 0.06 8.37 -2.24 -1.26 -1.41 114.28 117.67 1jfj n THR 125 Ca -0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 1jfj n THR 125 Cb 0.63 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.22 -0.05 3.22 3.38 -1.98 -2.34 115.31 117.33 1jfj h LEU 126 Ca 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1jfj h LEU 126 Cb 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jfj h LEU 126 CO 0.00 0.31 -0.07 -0.33 0.09 0.00 0.00 178.44 178.44 1jfj h GLU 127 N -1.01 0.13 -0.88 1.13 3.07 -1.98 0.12 114.58 115.16 1jfj h GLU 127 Ca -0.03 -0.08 0.16 0.00 -0.50 0.00 0.00 59.36 58.92 1jfj h GLU 127 Cb 0.37 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.19 1jfj h GLU 127 CO 0.04 0.62 0.46 1.49 -1.40 0.00 0.00 179.01 180.22 1jfj h GLU 128 N -0.35 0.60 0.00 2.33 4.81 -1.96 0.18 114.58 120.20 1jfj h GLU 128 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1jfj h GLU 128 Cb 0.61 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1jfj h GLU 128 CO 0.02 0.40 -0.00 0.35 -0.73 0.00 0.00 179.01 179.04 1jfj h PHE 129 N 0.62 -0.01 -0.15 0.92 3.57 -1.38 -0.52 116.94 120.00 1jfj h PHE 129 Ca 0.49 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.03 1jfj h PHE 129 Cb 0.74 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1jfj h PHE 129 CO -0.08 0.61 -0.47 1.25 -2.23 0.00 0.00 178.31 177.39 1jfj h LEU 130 N -0.63 -1.49 -0.63 0.59 5.85 -0.16 0.18 115.31 119.03 1jfj h LEU 130 Ca -0.00 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1jfj h LEU 130 Cb 0.62 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1jfj h LEU 130 CO 0.00 -0.45 0.41 -0.33 -0.34 0.00 0.00 178.44 177.73 1jfj h GLU 131 N -0.52 0.80 -0.56 1.25 5.08 -0.76 -2.53 114.58 117.34 1jfj h GLU 131 Ca 0.06 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1jfj h GLU 131 Cb 0.65 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1jfj h GLU 131 CO -0.43 0.53 -0.03 0.74 -1.00 0.00 0.00 179.01 178.83 1jfj h PHE 132 N 0.82 -0.09 -0.87 4.33 -1.00 0.30 0.19 116.94 120.62 1jfj h PHE 132 Ca 0.24 0.04 0.23 0.00 2.81 0.00 0.00 57.97 61.29 1jfj h PHE 132 Cb -0.05 0.13 -0.15 0.00 3.61 0.00 0.00 35.95 39.48 1jfj h PHE 132 CO -0.04 -0.16 0.11 0.77 -1.61 0.00 0.00 178.31 177.38 1jfj h SER 133 N 0.09 -0.24 0.00 2.17 0.02 -0.25 -3.51 113.55 111.84 1jfj h SER 133 Ca 0.29 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1jfj h SER 133 Cb 0.45 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1jfj h SER 133 CO -0.50 -0.22 0.00 -0.11 -1.14 0.00 0.00 176.83 174.86