#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 1.02 -1.45 -5.12 0.00 -2.07 1.43 119.26 113.07 1jfj h ALA 2 Ca 0.00 0.27 0.43 0.00 0.00 0.00 0.00 54.91 55.61 1jfj h ALA 2 Cb 0.00 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1jfj h ALA 2 CO 0.00 -0.48 1.01 1.05 0.00 0.00 0.00 179.25 180.84 1jfj h GLU 3 N 0.10 0.06 -0.03 0.00 4.11 -2.01 1.40 114.58 118.20 1jfj h GLU 3 Ca 0.50 -0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.75 1jfj h GLU 3 Cb 0.97 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1jfj h GLU 3 CO -0.75 0.04 -0.69 0.00 0.07 0.00 0.00 179.01 177.68 1jfj h ALA 4 N 1.35 0.12 -0.80 1.06 0.00 0.15 -3.30 119.26 117.84 1jfj h ALA 4 Ca 0.74 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1jfj h ALA 4 Cb 2.73 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 20.44 1jfj h ALA 4 CO -0.13 0.45 -0.58 -0.07 0.00 0.00 0.00 179.25 178.92 1jfj h LEU 5 N 0.08 -2.07 -1.75 0.00 4.07 0.21 1.58 115.31 117.44 1jfj h LEU 5 Ca -0.08 0.30 0.35 0.00 0.08 0.00 0.00 57.88 58.53 1jfj h LEU 5 Cb 1.37 0.89 -0.07 0.00 1.08 0.00 0.00 40.66 43.93 1jfj h LEU 5 CO 0.14 -0.29 0.85 0.15 -1.08 0.00 0.00 178.44 178.20 1jfj h PHE 6 N -0.14 0.25 0.01 1.13 3.04 -1.58 0.94 116.94 120.59 1jfj h PHE 6 Ca 0.13 0.01 -0.24 0.00 3.98 0.00 0.00 57.97 61.85 1jfj h PHE 6 Cb 0.47 -0.07 0.02 0.00 2.56 0.00 0.00 35.95 38.93 1jfj h PHE 6 CO -0.93 -0.01 -0.95 -0.22 -2.02 0.00 0.00 178.31 174.18 1jfj h LYS 7 N 0.12 0.63 0.78 1.11 3.11 0.20 -3.15 116.57 119.37 1jfj h LYS 7 Ca 0.63 -0.69 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1jfj h LYS 7 Cb 2.21 0.20 0.01 0.00 -1.00 0.00 0.00 32.23 33.64 1jfj h LYS 7 CO -0.14 1.28 -0.37 1.49 -2.81 0.00 0.00 179.45 178.90 1jfj h GLU 8 N 0.27 -1.01 -1.73 1.90 4.81 0.47 -2.57 114.58 116.71 1jfj h GLU 8 Ca -0.12 0.07 0.50 0.00 -0.13 0.00 0.00 59.36 59.68 1jfj h GLU 8 Cb 1.62 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 31.16 1jfj h GLU 8 CO 0.19 -0.67 1.26 0.97 -0.73 0.00 0.00 179.01 180.03 1jfj h ILE 9 N -1.24 0.12 -0.22 2.32 6.09 -0.55 -1.80 117.51 122.22 1jfj h ILE 9 Ca -0.11 0.00 -0.70 0.00 -1.37 0.00 0.00 64.86 62.69 1jfj h ILE 9 Cb 0.80 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 1jfj h ILE 9 CO 0.18 0.00 3.35 -0.67 -3.07 0.00 0.00 178.15 177.94 1jfj n ASP 10 N -3.98 6.92 -0.31 2.19 2.03 -0.97 -4.71 116.55 117.73 1jfj n ASP 10 Ca 0.39 -2.75 0.12 0.00 0.52 0.00 0.00 54.79 53.06 1jfj n ASP 10 Cb 1.79 -1.56 0.26 0.00 -0.72 0.00 0.00 41.12 40.89 1jfj n ASP 10 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jfj h VAL 11 N 3.32 0.18 -0.98 5.18 2.07 -1.53 0.82 116.25 125.30 1jfj h VAL 11 Ca 0.73 -0.03 0.29 0.00 0.82 0.00 0.00 66.70 68.51 1jfj h VAL 11 Cb 0.42 0.09 -0.18 0.00 -1.52 0.00 0.00 31.29 30.09 1jfj h VAL 11 CO 1.78 0.02 0.10 0.59 0.02 0.00 0.00 177.57 180.07 1jfj n ASN 12 N -5.38 -0.05 -0.77 0.57 4.13 -1.26 -4.81 115.26 107.69 1jfj n ASN 12 Ca 0.20 1.67 0.00 0.00 1.68 0.00 0.00 54.58 58.13 1jfj n ASN 12 Cb 0.67 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1jfj n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jfj n GLY 13 N -1.46 0.62 0.07 7.41 0.00 0.28 -4.99 105.19 107.13 1jfj n GLY 13 Ca 0.25 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.13 0.94 0.00 1.61 5.68 -1.26 -4.99 116.55 118.39 1jfj n ASP 14 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jfj n ASP 14 Cb 0.46 1.09 0.00 0.00 -1.14 0.00 0.00 41.12 41.53 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 1.89 0.75 3.40 6.12 0.00 -1.26 -5.07 105.19 111.01 1jfj n GLY 15 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.05 2.34 0.04 4.61 0.00 -1.26 -3.69 121.76 121.74 1jfj s ALA 16 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1jfj s ALA 16 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1jfj s ALA 16 CO 0.00 0.19 0.00 1.55 0.00 0.00 0.00 175.76 177.50 1jfj n VAL 17 N -0.36 0.00 -3.99 0.00 3.14 0.14 -4.85 118.33 112.41 1jfj n VAL 17 Ca -0.08 -0.19 -0.09 0.00 -2.96 0.00 0.00 64.34 61.02 1jfj n VAL 17 Cb 0.60 0.04 -0.05 0.00 -1.06 0.00 0.00 33.84 33.36 1jfj n VAL 17 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1jfj s SER 18 N -1.22 -0.09 0.20 6.55 1.04 -1.26 -1.30 113.70 117.62 1jfj s SER 18 Ca 0.00 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.40 1jfj s SER 18 Cb 0.00 0.58 0.16 0.00 0.10 0.00 0.00 66.02 66.86 1jfj s SER 18 CO 0.00 -1.13 1.84 0.10 0.98 0.00 0.00 173.24 175.03 1jfj h TYR 19 N 2.27 0.74 -0.50 5.02 -0.00 -1.89 0.13 116.97 122.74 1jfj h TYR 19 Ca -0.26 0.02 -0.05 0.00 0.00 0.00 0.00 58.73 58.44 1jfj h TYR 19 Cb 1.25 -0.24 -0.02 0.00 0.00 0.00 0.00 36.73 37.72 1jfj h TYR 19 CO 0.40 0.42 0.13 1.49 -0.00 0.00 0.00 178.16 180.59 1jfj h GLU 20 N 0.77 0.80 -0.15 0.10 4.81 -1.97 -1.57 114.58 117.37 1jfj h GLU 20 Ca 0.26 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1jfj h GLU 20 Cb 0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1jfj h GLU 20 CO -0.10 0.77 -0.12 0.93 -0.73 0.00 0.00 179.01 179.76 1jfj h GLU 21 N 0.69 0.24 0.61 1.92 5.08 -1.82 -0.04 114.58 121.26 1jfj h GLU 21 Ca 0.16 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1jfj h GLU 21 Cb 0.32 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1jfj h GLU 21 CO 0.00 0.37 -0.29 0.28 -1.00 0.00 0.00 179.01 178.37 1jfj h VAL 22 N 0.23 0.15 -0.77 3.13 2.07 -0.24 0.32 116.25 121.14 1jfj h VAL 22 Ca 0.05 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.33 1jfj h VAL 22 Cb 0.36 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1jfj h VAL 22 CO 0.02 0.02 0.51 0.07 0.02 0.00 0.00 177.57 178.21 1jfj h LYS 23 N -1.14 0.53 -0.45 1.57 2.10 -1.17 0.18 116.57 118.20 1jfj h LYS 23 Ca -0.08 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.39 1jfj h LYS 23 Cb 0.67 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1jfj h LYS 23 CO 0.14 0.35 -0.28 0.00 -2.00 0.00 0.00 179.45 177.66 1jfj h ALA 24 N 1.63 0.64 0.13 0.07 0.00 -0.84 -0.88 119.26 120.01 1jfj h ALA 24 Ca 0.37 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jfj h ALA 24 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jfj h ALA 24 CO -0.14 0.67 -0.20 0.35 0.00 0.00 0.00 179.25 179.94 1jfj h PHE 25 N 0.83 -0.53 -0.71 0.00 3.04 0.27 -1.44 116.94 118.40 1jfj h PHE 25 Ca 0.09 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 1jfj h PHE 25 Cb 0.87 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 1jfj h PHE 25 CO 0.06 -0.29 0.29 -0.24 -2.02 0.00 0.00 178.31 176.11 1jfj h VAL 26 N -0.39 1.24 -0.41 1.41 3.04 -1.28 -1.21 116.25 118.64 1jfj h VAL 26 Ca 0.02 -0.74 0.12 0.00 -1.01 0.00 0.00 66.70 65.09 1jfj h VAL 26 Cb 0.40 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.05 1jfj h VAL 26 CO -0.09 0.30 0.31 -1.28 -1.01 0.00 0.00 177.57 175.80 1jfj h SER 27 N 1.02 0.00 -1.33 3.17 0.87 -0.49 -0.42 113.55 116.37 1jfj h SER 27 Ca 0.24 0.00 0.39 0.00 -1.23 0.00 0.00 61.79 61.19 1jfj h SER 27 Cb 0.18 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 1jfj h SER 27 CO -0.02 0.00 1.16 0.07 -0.53 0.00 0.00 176.83 177.51 1jfj h LYS 28 N 0.00 0.00 0.00 2.24 2.10 -0.17 -2.80 116.57 117.94 1jfj h LYS 28 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1jfj h LYS 28 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1jfj h LYS 28 CO -0.00 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.62 1jfj n LYS 29 N -3.67 0.00 0.08 0.07 4.81 -0.17 -5.06 118.16 114.22 1jfj n LYS 29 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1jfj n LYS 29 Cb 1.57 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 36.48 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 0.00 0.00 -1.54 1.64 5.12 -1.06 -5.03 116.66 115.79 1jfj n ARG 30 Ca 0.00 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 1jfj n ARG 30 Cb 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 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 -2.84 0.53 0.05 7.54 0.00 -1.26 -4.67 120.51 119.86 1jfj n ALA 31 Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 53.44 52.10 1jfj n ALA 31 Cb 0.00 -3.04 0.11 0.00 0.00 0.00 0.00 19.45 16.52 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 7.95 1.76 0.52 0.00 -5.35 -1.26 -3.59 119.36 119.38 1jfj n ILE 32 Ca 0.52 -0.78 0.11 0.00 -0.27 0.00 0.00 62.75 62.32 1jfj n ILE 32 Cb 0.36 -0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 37.58 1jfj n ILE 32 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1jfj n LYS 33 N -0.08 0.32 0.13 6.28 4.81 -1.26 -4.03 118.16 124.33 1jfj n LYS 33 Ca 0.22 -0.03 0.16 0.00 -0.87 0.00 0.00 58.31 57.80 1jfj n LYS 33 Cb 0.92 -1.58 0.72 0.00 0.02 0.00 0.00 35.03 35.11 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1jfj h ASN 34 N 0.00 0.00 -1.07 3.14 -1.07 -1.93 -1.91 115.58 112.73 1jfj h ASN 34 Ca 0.00 0.00 0.39 0.00 0.07 0.00 0.00 56.30 56.76 1jfj h ASN 34 Cb 0.75 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.87 1jfj h ASN 34 CO 0.00 0.00 0.65 -1.84 0.07 0.00 0.00 177.43 176.31 1jfj n GLU 35 N -4.23 -0.04 0.26 4.14 -0.00 -1.26 0.15 120.64 119.66 1jfj n GLU 35 Ca 0.04 1.12 -0.11 0.00 -0.00 0.00 0.00 57.16 58.22 1jfj n GLU 35 Cb 0.39 -2.14 -0.05 0.00 -0.00 0.00 0.00 31.44 29.64 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 -0.67 0.80 3.44 4.15 -1.67 -0.92 115.11 120.25 1jfj h GLN 36 Ca 0.75 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 60.18 1jfj h GLN 36 Cb 2.26 0.15 0.01 0.00 0.21 0.00 0.00 27.48 30.11 1jfj h GLN 36 CO -0.50 -0.45 -0.39 1.25 -1.93 0.00 0.00 178.83 176.81 1jfj h LEU 37 N -1.00 -0.91 -0.96 -2.39 5.85 -0.19 -1.69 115.31 114.01 1jfj h LEU 37 Ca -0.07 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1jfj h LEU 37 Cb 0.53 0.24 -0.14 0.00 0.37 0.00 0.00 40.66 41.67 1jfj h LEU 37 CO 0.12 -0.63 -0.50 0.25 -0.34 0.00 0.00 178.44 177.34 1jfj h LEU 38 N -1.13 -1.82 -0.54 2.25 7.12 0.13 0.58 115.31 121.90 1jfj h LEU 38 Ca -0.11 0.32 0.10 0.00 0.13 0.00 0.00 57.88 58.32 1jfj h LEU 38 Cb 0.83 0.86 -0.11 0.00 -0.53 0.00 0.00 40.66 41.70 1jfj h LEU 38 CO 0.18 -0.26 -0.27 -0.61 -0.13 0.00 0.00 178.44 177.35 1jfj h GLN 39 N -0.02 -0.13 0.60 1.25 5.75 -1.08 0.44 115.11 121.92 1jfj h GLN 39 Ca 0.24 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1jfj h GLN 39 Cb 0.50 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1jfj h GLN 39 CO -0.94 -0.09 -0.47 1.25 -2.65 0.00 0.00 178.83 175.93 1jfj h LEU 40 N -0.14 -1.25 -0.56 -2.39 7.12 0.88 -1.45 115.31 117.52 1jfj h LEU 40 Ca 0.24 0.09 0.06 0.00 0.13 0.00 0.00 57.88 58.39 1jfj h LEU 40 Cb 0.52 0.39 -0.09 0.00 -0.53 0.00 0.00 40.66 40.95 1jfj h LEU 40 CO -0.62 -0.67 -0.51 0.40 -0.13 0.00 0.00 178.44 176.92 1jfj h ILE 41 N -1.03 0.00 -0.90 4.05 2.04 0.70 -0.69 117.51 121.68 1jfj h ILE 41 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1jfj h ILE 41 Cb 0.86 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.83 1jfj h ILE 41 CO 0.01 0.00 -0.58 0.15 0.00 0.00 0.00 178.15 177.73 1jfj h PHE 42 N -0.22 -1.84 -0.83 1.37 3.04 0.03 0.75 116.94 119.23 1jfj h PHE 42 Ca 0.09 0.12 0.20 0.00 3.98 0.00 0.00 57.97 62.37 1jfj h PHE 42 Cb 0.47 0.92 -0.14 0.00 2.56 0.00 0.00 35.95 39.76 1jfj h PHE 42 CO -0.83 -0.38 0.05 0.87 -2.02 0.00 0.00 178.31 176.00 1jfj h LYS 43 N -0.06 0.10 0.89 1.11 1.57 -0.07 1.65 116.57 121.77 1jfj h LYS 43 Ca 0.14 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1jfj h LYS 43 Cb 0.43 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1jfj h LYS 43 CO -0.88 0.07 -0.43 0.77 -0.57 0.00 0.00 179.45 178.41 1jfj h SER 44 N 0.11 -1.02 0.26 0.86 0.02 0.15 -3.25 113.55 110.68 1jfj h SER 44 Ca 0.48 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1jfj h SER 44 Cb 0.90 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1jfj h SER 44 CO -0.72 -0.68 -0.52 0.40 -1.14 0.00 0.00 176.83 174.16 1jfj h ILE 45 N -1.29 0.00 -0.16 3.27 1.08 0.14 -3.38 117.51 117.16 1jfj h ILE 45 Ca -0.12 0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 63.86 1jfj h ILE 45 Cb 0.92 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 1jfj h ILE 45 CO 0.20 0.00 1.75 -0.67 -0.69 0.00 0.00 178.15 178.74 1jfj n ASP 46 N -5.50 0.42 0.04 1.72 2.03 0.55 -4.68 116.55 111.12 1jfj n ASP 46 Ca -0.10 0.07 -0.01 0.00 0.52 0.00 0.00 54.79 55.27 1jfj n ASP 46 Cb 0.43 -0.97 -0.08 0.00 -0.72 0.00 0.00 41.12 39.78 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj h ALA 47 N 12.73 0.66 -0.11 -1.67 0.00 -1.83 -3.31 119.26 125.72 1jfj h ALA 47 Ca -0.06 -0.88 -0.15 0.00 0.00 0.00 0.00 54.91 53.81 1jfj h ALA 47 Cb 1.30 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1jfj h ALA 47 CO 1.38 0.98 -0.58 0.22 0.00 0.00 0.00 179.25 181.24 1jfj h ASP 48 N 0.00 0.41 -0.09 0.00 1.82 -1.93 -3.47 116.42 113.17 1jfj h ASP 48 Ca -0.16 -0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.22 1jfj h ASP 48 Cb 1.62 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.50 1jfj h ASP 48 CO 0.05 0.90 -0.03 0.61 -1.61 0.00 0.00 179.24 179.17 1jfj n GLY 49 N 0.26 0.49 0.05 -0.78 0.00 -1.25 -4.85 105.19 99.11 1jfj n GLY 49 Ca -0.03 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 0.35 0.00 1.61 6.94 -1.26 -4.87 115.26 118.02 1jfj n ASN 50 Ca -0.02 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 1jfj n ASN 50 Cb 0.18 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 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 0.81 2.60 3.51 4.83 0.00 -1.26 -4.98 105.19 110.70 1jfj n GLY 51 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.20 1.75 0.30 1.61 2.02 -1.26 -2.68 118.70 120.24 1jfj s GLU 52 Ca 0.00 -1.87 0.05 0.00 0.02 0.00 0.00 54.97 53.17 1jfj s GLU 52 Cb 0.00 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 1jfj s GLU 52 CO 0.00 0.20 0.29 0.44 0.02 0.00 0.00 175.26 176.21 1jfj n ILE 53 N -0.72 0.00 -4.43 -1.63 -5.35 -0.42 -4.90 119.36 101.92 1jfj n ILE 53 Ca -0.05 -2.01 -0.19 0.00 -0.27 0.00 0.00 62.75 60.22 1jfj n ILE 53 Cb 0.62 1.05 -0.04 0.00 -1.74 0.00 0.00 39.64 39.53 1jfj n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jfj n ASP 54 N -1.81 2.26 -0.25 7.28 5.75 -1.26 0.29 116.55 128.81 1jfj n ASP 54 Ca 0.05 -2.42 -0.01 0.00 -0.01 0.00 0.00 54.79 52.41 1jfj n ASP 54 Cb 0.53 0.39 0.20 0.00 -1.03 0.00 0.00 41.12 41.20 1jfj n ASP 54 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1jfj h GLN 55 N 0.00 1.07 0.96 0.11 3.07 -1.95 -0.54 115.11 117.84 1jfj h GLN 55 Ca -0.25 -0.09 -0.05 0.00 0.09 0.00 0.00 58.65 58.36 1jfj h GLN 55 Cb 0.81 -0.23 0.01 0.00 0.08 0.00 0.00 27.48 28.14 1jfj h GLN 55 CO 0.40 0.74 -0.46 -0.97 0.09 0.00 0.00 178.83 178.63 1jfj h ASN 56 N 1.09 -1.10 -0.97 0.06 -0.73 -1.96 0.21 115.58 112.19 1jfj h ASN 56 Ca 0.29 0.04 0.20 0.00 1.87 0.00 0.00 56.30 58.70 1jfj h ASN 56 Cb -0.07 0.28 -0.09 0.00 0.27 0.00 0.00 38.32 38.72 1jfj h ASN 56 CO -0.06 -0.78 0.62 -0.33 -0.37 0.00 0.00 177.43 176.51 1jfj h GLU 57 N -1.31 0.58 -0.53 6.67 5.08 -1.91 0.19 114.58 123.35 1jfj h GLU 57 Ca -0.13 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1jfj h GLU 57 Cb 0.99 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1jfj h GLU 57 CO 0.22 0.38 -0.04 0.35 -1.00 0.00 0.00 179.01 178.92 1jfj h PHE 58 N 0.60 1.06 -0.68 4.33 3.57 -0.68 0.51 116.94 125.64 1jfj h PHE 58 Ca 0.54 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.87 1jfj h PHE 58 Cb 1.07 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1jfj h PHE 58 CO -0.00 0.98 0.44 0.00 -2.23 0.00 0.00 178.31 177.49 1jfj h ALA 59 N 0.94 0.88 -0.00 2.41 0.00 0.24 0.56 119.26 124.29 1jfj h ALA 59 Ca 0.15 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1jfj h ALA 59 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jfj h ALA 59 CO 0.03 0.23 -0.79 0.87 0.00 0.00 0.00 179.25 179.59 1jfj h LYS 60 N 0.87 0.06 -0.31 0.00 1.57 -1.04 -3.23 116.57 114.49 1jfj h LYS 60 Ca 0.26 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1jfj h LYS 60 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jfj h LYS 60 CO -0.09 0.82 0.18 0.35 -0.57 0.00 0.00 179.45 180.14 1jfj h PHE 61 N 0.03 0.42 -1.11 -1.35 3.57 0.11 -2.18 116.94 116.43 1jfj h PHE 61 Ca -0.02 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.78 1jfj h PHE 61 Cb 1.39 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 1jfj h PHE 61 CO 0.01 0.33 0.75 -0.92 -2.23 0.00 0.00 178.31 176.24 1jfj h TYR 62 N 0.39 0.41 0.09 0.41 3.20 -0.95 0.33 116.97 120.85 1jfj h TYR 62 Ca 0.11 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1jfj h TYR 62 Cb 0.04 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1jfj h TYR 62 CO -0.03 0.02 -0.04 0.78 -1.64 0.00 0.00 178.16 177.24 1jfj h GLY 63 N 0.23 -0.12 -4.82 1.82 0.00 -1.51 -3.28 103.07 95.38 1jfj h GLY 63 Ca 0.60 0.05 -0.50 0.00 0.00 0.00 0.00 47.33 47.48 1jfj h GLY 63 CO -0.20 -0.04 2.59 -1.26 0.00 0.00 0.00 176.54 177.62 1jfj n SER 64 N -4.91 7.18 -0.01 0.19 2.88 0.10 -4.17 113.62 114.88 1jfj n SER 64 Ca -0.08 -2.49 -0.04 0.00 -1.33 0.00 0.00 58.87 54.92 1jfj n SER 64 Cb 0.26 -1.42 -0.12 0.00 -0.75 0.00 0.00 64.21 62.18 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jfj n ILE 65 N 3.40 1.35 -1.62 2.46 3.06 -1.22 -4.93 119.36 121.86 1jfj n ILE 65 Ca 0.64 -0.75 -0.36 0.00 -2.50 0.00 0.00 62.75 59.78 1jfj n ILE 65 Cb 0.38 -0.81 0.08 0.00 0.54 0.00 0.00 39.64 39.83 1jfj n ILE 65 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1jfj s GLN 66 N -2.76 2.38 0.00 9.51 -0.21 -1.26 -5.03 119.66 122.29 1jfj s GLN 66 Ca -0.05 1.95 0.00 0.00 0.02 0.00 0.00 55.36 57.29 1jfj s GLN 66 Cb 0.08 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1jfj s GLN 66 CO 0.82 -1.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.70 1jfj n GLY 67 N 0.73 1.95 3.32 3.09 0.00 -1.26 -5.13 105.19 107.89 1jfj n GLY 67 Ca 0.15 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 4.13 1.70 0.53 1.61 -2.07 -1.26 -5.18 119.66 119.13 1jfj s GLN 68 Ca 0.00 -1.99 0.08 0.00 -1.82 0.00 0.00 55.36 51.63 1jfj s GLN 68 Cb 0.00 0.09 0.05 0.00 -1.09 0.00 0.00 33.01 32.07 1jfj s GLN 68 CO 0.00 -0.56 0.62 -0.51 -1.32 0.00 0.00 175.29 173.52 1jfj s ASP 69 N -3.39 5.06 -0.72 12.60 1.11 -1.26 -5.01 116.67 125.06 1jfj s ASP 69 Ca 0.37 -0.87 -0.02 0.00 0.18 0.00 0.00 52.55 52.20 1jfj s ASP 69 Cb 0.03 0.10 0.30 0.00 1.07 0.00 0.00 42.92 44.42 1jfj s ASP 69 CO 0.22 -1.13 2.18 0.18 1.18 0.00 0.00 175.17 177.81 1jfj n LEU 70 N -1.99 7.30 0.09 1.23 4.32 -1.26 -4.55 117.00 122.15 1jfj n LEU 70 Ca 0.09 -4.52 -0.03 0.00 -0.02 0.00 0.00 56.01 51.52 1jfj n LEU 70 Cb 0.62 -1.09 0.18 0.00 -1.62 0.00 0.00 43.42 41.51 1jfj n LEU 70 CO 0.40 1.68 0.56 0.77 -1.22 0.00 0.00 177.39 179.58 1jfj h SER 71 N 2.77 0.24 -0.42 -1.43 4.64 -2.01 -2.61 113.55 114.73 1jfj h SER 71 Ca 0.53 -0.12 0.12 0.00 -0.47 0.00 0.00 61.79 61.85 1jfj h SER 71 Cb 0.33 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1jfj h SER 71 CO 1.32 0.71 0.31 0.44 -0.87 0.00 0.00 176.83 178.74 1jfj h ASP 72 N 0.17 0.00 0.76 4.97 3.32 -1.98 0.19 116.42 123.85 1jfj h ASP 72 Ca 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1jfj h ASP 72 Cb 0.96 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.52 1jfj h ASP 72 CO 0.08 0.00 -0.37 -0.78 -1.72 0.00 0.00 179.24 176.45 1jfj h ASP 73 N 0.00 -0.87 -0.19 6.45 1.82 -1.83 0.19 116.42 121.99 1jfj h ASP 73 Ca 0.20 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.83 1jfj h ASP 73 Cb 0.82 0.22 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1jfj h ASP 73 CO -0.00 -0.61 0.01 0.07 -1.61 0.00 0.00 179.24 177.10 1jfj h LYS 74 N -1.04 0.44 0.35 0.28 2.10 -1.38 -2.64 116.57 114.67 1jfj h LYS 74 Ca -0.10 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 1jfj h LYS 74 Cb 0.79 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1jfj h LYS 74 CO 0.17 0.46 -0.23 0.82 -2.00 0.00 0.00 179.45 178.67 1jfj h ILE 75 N 0.42 0.52 -0.29 0.07 1.08 -0.26 -0.42 117.51 118.64 1jfj h ILE 75 Ca 0.10 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 1jfj h ILE 75 Cb 0.26 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 1jfj h ILE 75 CO 0.01 0.00 -0.38 1.23 -0.69 0.00 0.00 178.15 178.32 1jfj h GLY 76 N -0.56 -0.48 0.34 5.37 0.00 -0.29 0.32 103.07 107.77 1jfj h GLY 76 Ca -0.04 0.47 0.16 0.00 0.00 0.00 0.00 47.33 47.93 1jfj h GLY 76 CO 0.03 -0.21 0.61 -2.00 0.00 0.00 0.00 176.54 174.98 1jfj h LEU 77 N -0.36 0.79 0.91 3.11 5.85 -1.32 -0.27 115.31 124.02 1jfj h LEU 77 Ca 0.13 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1jfj h LEU 77 Cb 0.57 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1jfj h LEU 77 CO -0.48 0.36 -0.44 0.50 -0.34 0.00 0.00 178.44 178.04 1jfj h LYS 78 N 0.82 -1.17 -0.86 1.25 3.64 0.11 0.20 116.57 120.55 1jfj h LYS 78 Ca 0.52 0.08 0.22 0.00 -1.27 0.00 0.00 60.65 60.20 1jfj h LYS 78 Cb 0.73 0.27 -0.15 0.00 -0.41 0.00 0.00 32.23 32.67 1jfj h LYS 78 CO -0.29 -0.78 0.12 0.28 -2.27 0.00 0.00 179.45 176.51 1jfj h VAL 79 N -1.31 0.26 -0.07 2.00 2.07 0.35 0.61 116.25 120.16 1jfj h VAL 79 Ca -0.12 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1jfj h VAL 79 Cb 0.93 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1jfj h VAL 79 CO 0.20 0.02 0.04 -0.07 0.02 0.00 0.00 177.57 177.79 1jfj h LEU 80 N 0.13 0.09 -0.67 2.57 4.07 -0.82 0.33 115.31 121.02 1jfj h LEU 80 Ca 0.52 -0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.52 1jfj h LEU 80 Cb 1.02 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.66 1jfj h LEU 80 CO -0.71 0.14 0.24 0.22 -1.08 0.00 0.00 178.44 177.24 1jfj h TYR 81 N 0.03 0.40 -0.09 1.13 3.20 0.33 0.31 116.97 122.28 1jfj h TYR 81 Ca 0.02 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 1jfj h TYR 81 Cb 0.07 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1jfj h TYR 81 CO -0.05 0.06 -0.51 1.57 -1.64 0.00 0.00 178.16 177.59 1jfj h LYS 82 N 0.39 0.23 -0.55 1.82 5.09 -0.25 -2.65 116.57 120.65 1jfj h LYS 82 Ca 0.35 -0.14 -0.06 0.00 0.09 0.00 0.00 60.65 60.90 1jfj h LYS 82 Cb 0.49 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.81 1jfj h LYS 82 CO -0.37 0.69 0.11 1.25 -2.09 0.00 0.00 179.45 179.05 1jfj h LEU 83 N 0.19 0.82 -0.45 7.07 5.85 0.24 -2.71 115.31 126.32 1jfj h LEU 83 Ca 0.01 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1jfj h LEU 83 Cb 0.97 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1jfj h LEU 83 CO 0.08 0.82 0.03 0.24 -0.34 0.00 0.00 178.44 179.26 1jfj h MET 84 N 0.83 0.77 -5.92 1.25 2.86 -0.23 -3.38 114.93 111.11 1jfj h MET 84 Ca 0.18 -0.23 -0.43 0.00 -2.06 0.00 0.00 59.70 57.15 1jfj h MET 84 Cb 0.34 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1jfj h MET 84 CO 0.00 0.82 1.11 0.34 1.06 0.00 0.00 176.91 180.25 1jfj s ASP 85 N -6.24 5.37 0.08 1.22 2.15 -1.02 -4.71 116.67 113.53 1jfj s ASP 85 Ca -0.13 -0.21 0.21 0.00 0.43 0.00 0.00 52.55 52.85 1jfj s ASP 85 Cb 0.11 -2.55 -0.14 0.00 -0.30 0.00 0.00 42.92 40.04 1jfj s ASP 85 CO 0.80 -2.42 0.77 0.52 -0.17 0.00 0.00 175.17 174.68 1jfj n VAL 86 N 7.37 0.62 0.15 1.11 0.31 -1.26 -4.21 118.33 122.42 1jfj n VAL 86 Ca 0.27 -0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 63.88 1jfj n VAL 86 Cb 0.50 -0.34 -0.07 0.00 -0.91 0.00 0.00 33.84 33.02 1jfj n VAL 86 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1jfj h ASP 87 N 0.00 -0.36 0.00 4.52 3.32 -1.96 -3.48 116.42 118.46 1jfj h ASP 87 Ca -0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1jfj h ASP 87 Cb 1.21 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1jfj h ASP 87 CO 0.01 -0.23 0.00 0.61 -1.72 0.00 0.00 179.24 177.92 1jfj n GLY 88 N -1.26 0.76 1.92 2.75 0.00 -1.26 -5.08 105.19 103.02 1jfj n GLY 88 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 119.85 1jfj n ASP 89 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jfj n ASP 89 Cb 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.89 1.26 3.10 0.44 0.00 -1.26 -5.08 105.19 104.55 1jfj n GLY 90 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jfj n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfj s LYS 91 N -0.01 0.64 0.31 1.61 1.02 -1.26 -2.23 119.74 119.81 1jfj s LYS 91 Ca 0.00 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.10 1jfj s LYS 91 Cb 0.00 -0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 36.95 1jfj s LYS 91 CO 0.00 0.04 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.30 1jfj s LEU 92 N -2.02 2.40 0.00 3.17 2.96 -0.55 -4.96 118.68 119.68 1jfj s LEU 92 Ca -0.03 -1.29 0.05 0.00 -0.22 0.00 0.00 54.13 52.64 1jfj s LEU 92 Cb -0.05 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 1jfj s LEU 92 CO -0.01 -0.47 0.17 0.35 -1.32 0.00 0.00 176.35 175.07 1jfj n THR 93 N -0.67 0.00 0.00 3.68 -2.24 -1.26 0.25 114.28 114.04 1jfj n THR 93 Ca -0.04 -1.76 -0.18 0.00 -2.27 0.00 0.00 64.05 59.80 1jfj n THR 93 Cb 0.65 0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 1jfj n THR 93 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jfj h LYS 94 N 0.00 0.62 -0.04 -0.78 3.11 -1.92 -0.66 116.57 116.90 1jfj h LYS 94 Ca -0.19 -0.59 -0.13 0.00 -2.81 0.00 0.00 60.65 56.93 1jfj h LYS 94 Cb 0.88 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 1jfj h LYS 94 CO 0.30 1.20 -0.56 1.49 -2.81 0.00 0.00 179.45 179.07 1jfj h GLU 95 N 0.26 0.12 0.25 1.90 4.81 -1.97 -1.14 114.58 118.80 1jfj h GLU 95 Ca -0.08 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1jfj h GLU 95 Cb 1.42 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1jfj h GLU 95 CO 0.15 0.64 -0.12 1.49 -0.73 0.00 0.00 179.01 180.45 1jfj h GLU 96 N 0.09 -0.32 -0.56 1.92 4.81 -1.95 0.40 114.58 118.98 1jfj h GLU 96 Ca -0.00 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1jfj h GLU 96 Cb 1.01 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 1jfj h GLU 96 CO 0.08 0.01 0.22 -0.24 -0.73 0.00 0.00 179.01 178.34 1jfj h VAL 97 N -0.96 0.82 0.00 0.32 3.04 -1.16 0.16 116.25 118.47 1jfj h VAL 97 Ca -0.03 -0.14 -0.10 0.00 -1.01 0.00 0.00 66.70 65.41 1jfj h VAL 97 Cb 0.47 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 1jfj h VAL 97 CO 0.06 0.07 -0.50 0.00 -1.01 0.00 0.00 177.57 176.19 1jfj h THR 98 N 0.41 1.31 -0.33 3.17 1.03 -1.27 0.97 112.91 118.20 1jfj h THR 98 Ca 0.27 -1.73 -0.04 0.00 -0.01 0.00 0.00 66.41 64.91 1jfj h THR 98 Cb 0.30 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 69.31 1jfj h THR 98 CO -0.26 0.49 0.05 0.28 -0.01 0.00 0.00 175.52 176.07 1jfj h SER 99 N 0.00 0.52 -0.00 0.00 0.02 0.21 0.24 113.55 114.53 1jfj h SER 99 Ca -0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1jfj h SER 99 Cb 0.90 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1jfj h SER 99 CO 0.06 0.65 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.10 1jfj h PHE 100 N 0.37 0.04 -0.77 3.45 0.04 -0.67 -3.27 116.94 116.13 1jfj h PHE 100 Ca 0.10 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.90 1jfj h PHE 100 Cb 0.35 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 1jfj h PHE 100 CO 0.02 0.79 0.51 0.74 -0.60 0.00 0.00 178.31 179.77 1jfj h PHE 101 N -0.71 0.86 -0.71 -0.55 0.04 -0.84 -1.65 116.94 113.38 1jfj h PHE 101 Ca -0.00 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.94 1jfj h PHE 101 Cb 0.80 -0.28 -0.11 0.00 2.20 0.00 0.00 35.95 38.56 1jfj h PHE 101 CO 0.19 0.47 0.13 0.87 -0.60 0.00 0.00 178.31 179.37 1jfj h LYS 102 N 0.86 0.22 -1.09 1.51 1.57 -0.58 0.75 116.57 119.82 1jfj h LYS 102 Ca 0.33 -0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.40 1jfj h LYS 102 Cb 0.19 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.34 1jfj h LYS 102 CO -0.11 0.14 0.68 0.87 -0.57 0.00 0.00 179.45 180.47 1jfj h LYS 103 N 0.23 0.33 0.04 3.15 1.57 -1.37 -0.23 116.57 120.29 1jfj h LYS 103 Ca 0.40 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1jfj h LYS 103 Cb 0.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1jfj h LYS 103 CO -0.53 0.22 -0.02 1.25 -0.57 0.00 0.00 179.45 179.81 1jfj h HIS 104 N 0.34 -0.05 0.00 -1.35 2.76 0.31 -3.48 115.15 113.68 1jfj h HIS 104 Ca 0.66 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.83 1jfj h HIS 104 Cb 1.71 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.68 1jfj h HIS 104 CO -0.00 0.51 0.00 0.41 -1.30 0.00 0.00 177.93 177.54 1jfj n GLY 105 N 1.39 1.38 3.17 5.26 0.00 0.14 -5.04 105.19 111.51 1jfj n GLY 105 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 2.95 0.13 -0.61 0.13 -1.24 -4.62 119.36 116.11 1jfj n ILE 106 Ca 0.00 -2.80 -0.02 0.00 -1.10 0.00 0.00 62.75 58.83 1jfj n ILE 106 Cb 0.00 -2.41 0.15 0.00 -0.84 0.00 0.00 39.64 36.54 1jfj n ILE 106 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1jfj h GLU 107 N 7.43 0.00 -0.78 9.51 4.11 -1.93 -3.18 114.58 129.74 1jfj h GLU 107 Ca 0.45 0.00 0.17 0.00 0.07 0.00 0.00 59.36 60.05 1jfj h GLU 107 Cb 0.75 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.86 1jfj h GLU 107 CO 1.69 0.65 -0.10 -0.22 0.07 0.00 0.00 179.01 181.10 1jfj h LYS 108 N 0.00 0.04 -0.99 1.06 1.63 -1.99 1.25 116.57 117.57 1jfj h LYS 108 Ca -0.01 -0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.96 1jfj h LYS 108 Cb 1.16 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.68 1jfj h LYS 108 CO 0.08 0.02 0.60 -0.24 -3.45 0.00 0.00 179.45 176.47 1jfj h VAL 109 N 0.04 0.76 0.00 2.00 3.04 -1.95 0.94 116.25 121.08 1jfj h VAL 109 Ca 0.40 -0.28 -0.06 0.00 -1.01 0.00 0.00 66.70 65.76 1jfj h VAL 109 Cb 0.68 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1jfj h VAL 109 CO -0.76 0.15 -0.28 0.00 -1.01 0.00 0.00 177.57 175.67 1jfj h ALA 110 N 1.61 1.48 -0.00 3.17 0.00 0.14 0.11 119.26 125.76 1jfj h ALA 110 Ca 0.55 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 1jfj h ALA 110 Cb 0.78 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jfj h ALA 110 CO -0.35 0.35 -0.98 1.49 0.00 0.00 0.00 179.25 179.76 1jfj h GLU 111 N 0.00 0.53 -0.19 0.00 4.57 0.23 -0.07 114.58 119.65 1jfj h GLU 111 Ca -0.00 -0.57 -0.11 0.00 -1.18 0.00 0.00 59.36 57.50 1jfj h GLU 111 Cb 0.52 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1jfj h GLU 111 CO 0.04 1.20 -0.29 -0.56 -1.18 0.00 0.00 179.01 178.21 1jfj h GLN 112 N 0.30 0.53 -0.34 1.92 3.07 -0.04 -0.65 115.11 119.91 1jfj h GLN 112 Ca -0.10 -0.32 -0.13 0.00 0.09 0.00 0.00 58.65 58.19 1jfj h GLN 112 Cb 1.62 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 29.20 1jfj h GLN 112 CO 0.18 0.92 -0.30 -0.39 0.09 0.00 0.00 178.83 179.33 1jfj h VAL 113 N 0.19 1.28 -0.52 1.86 -1.51 -0.87 0.32 116.25 117.01 1jfj h VAL 113 Ca 0.02 -1.44 -0.06 0.00 -1.23 0.00 0.00 66.70 63.99 1jfj h VAL 113 Cb 0.88 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 1jfj h VAL 113 CO 0.07 0.47 0.09 -0.03 -1.23 0.00 0.00 177.57 176.94 1jfj h MET 114 N 0.62 0.85 -0.01 5.19 1.85 -0.95 -1.27 114.93 121.21 1jfj h MET 114 Ca 0.07 -0.22 -0.18 0.00 -0.61 0.00 0.00 59.70 58.76 1jfj h MET 114 Cb 0.82 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.74 1jfj h MET 114 CO 0.07 0.83 -0.80 0.87 -0.40 0.00 0.00 176.91 177.49 1jfj h LYS 115 N 0.73 0.15 -0.13 0.39 1.79 -0.97 -3.20 116.57 115.34 1jfj h LYS 115 Ca 0.16 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1jfj h LYS 115 Cb 0.39 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1jfj h LYS 115 CO 0.01 0.87 0.09 0.00 -1.08 0.00 0.00 179.45 179.33 1jfj h ALA 116 N 1.08 0.17 -0.11 3.86 0.00 -0.06 -3.28 119.26 120.92 1jfj h ALA 116 Ca -0.03 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.37 1jfj h ALA 116 Cb 1.39 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 19.17 1jfj h ALA 116 CO 0.12 -0.34 1.59 -3.47 0.00 0.00 0.00 179.25 177.14 1jfj n ASP 117 N -4.99 2.18 -2.14 0.00 -0.08 -0.51 -4.54 116.55 106.46 1jfj n ASP 117 Ca -0.05 -2.62 -0.17 0.00 -1.51 0.00 0.00 54.79 50.44 1jfj n ASP 117 Cb 0.03 -1.17 0.23 0.00 2.34 0.00 0.00 41.12 42.55 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jfj n ALA 118 N 10.60 5.19 -0.08 -1.67 0.00 -1.24 -4.35 120.51 128.97 1jfj n ALA 118 Ca 0.47 -2.65 -0.16 0.00 0.00 0.00 0.00 53.44 51.11 1jfj n ALA 118 Cb 0.43 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 1jfj n ALA 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jfj h ASN 119 N 1.67 0.00 0.00 0.00 -0.26 -1.93 -3.49 115.58 111.57 1jfj h ASN 119 Ca 0.49 -0.80 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 1jfj h ASN 119 Cb 2.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.92 1jfj h ASN 119 CO 0.96 1.12 0.00 0.61 -1.06 0.00 0.00 177.43 179.06 1jfj n GLY 120 N 1.56 0.60 1.99 2.83 0.00 -1.26 -5.06 105.19 105.85 1jfj n GLY 120 Ca -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.29 1.61 5.75 -1.26 -5.06 116.55 117.30 1jfj n ASP 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 121 Cb 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.52 0.98 3.79 6.12 0.00 -1.26 -5.08 105.19 110.26 1jfj n GLY 122 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.58 0.15 0.27 1.61 2.02 -1.26 -3.91 117.35 113.64 1jfj s TYR 123 Ca 0.00 -0.75 -0.19 0.00 -0.37 0.00 0.00 57.07 55.76 1jfj s TYR 123 Cb 0.00 0.74 0.01 0.00 -0.40 0.00 0.00 41.96 42.32 1jfj s TYR 123 CO 0.00 -1.48 0.66 -1.50 -1.57 0.00 0.00 175.55 171.65 1jfj s ILE 124 N -2.64 0.00 0.14 2.71 2.07 0.14 -4.92 121.20 118.69 1jfj s ILE 124 Ca 0.16 -1.11 0.01 0.00 -1.41 0.00 0.00 60.65 58.30 1jfj s ILE 124 Cb -0.05 -2.06 -0.00 0.00 0.13 0.00 0.00 42.46 40.48 1jfj s ILE 124 CO 0.11 0.00 0.04 0.35 -1.91 0.00 0.00 174.94 173.53 1jfj n THR 125 N -0.44 0.00 -0.02 4.00 -2.24 -1.26 -1.48 114.28 112.83 1jfj n THR 125 Ca -0.03 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 1jfj n THR 125 Cb 0.60 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.03 0.45 3.22 3.38 -1.83 -2.31 115.31 118.18 1jfj h LEU 126 Ca -0.11 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1jfj h LEU 126 Cb 0.40 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1jfj h LEU 126 CO 0.18 0.67 -0.21 -0.33 0.09 0.00 0.00 178.44 178.83 1jfj h GLU 127 N -0.77 -0.58 -1.01 1.13 5.08 -1.98 0.11 114.58 116.57 1jfj h GLU 127 Ca -0.00 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.64 1jfj h GLU 127 Cb 0.68 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 1jfj h GLU 127 CO 0.01 -0.28 0.65 1.49 -1.00 0.00 0.00 179.01 179.87 1jfj h GLU 128 N -0.84 0.42 0.30 2.33 4.81 -1.98 -0.40 114.58 119.22 1jfj h GLU 128 Ca -0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1jfj h GLU 128 Cb 0.56 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1jfj h GLU 128 CO 0.10 0.27 -0.14 0.35 -0.73 0.00 0.00 179.01 178.86 1jfj h PHE 129 N 0.43 -0.37 -0.84 0.92 3.57 -1.17 -1.30 116.94 118.17 1jfj h PHE 129 Ca 0.56 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.22 1jfj h PHE 129 Cb 1.38 0.12 -0.16 0.00 2.79 0.00 0.00 35.95 40.08 1jfj h PHE 129 CO -0.00 -0.08 -0.21 1.25 -2.23 0.00 0.00 178.31 177.03 1jfj h LEU 130 N -1.01 -0.80 0.34 0.59 6.46 0.15 0.19 115.31 121.22 1jfj h LEU 130 Ca -0.04 0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1jfj h LEU 130 Cb 0.46 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1jfj h LEU 130 CO 0.07 -0.28 -0.16 -0.33 -0.62 0.00 0.00 178.44 177.12 1jfj h GLU 131 N -0.00 -0.44 -1.33 1.25 5.08 -1.17 -2.24 114.58 115.72 1jfj h GLU 131 Ca 0.40 0.03 0.39 0.00 -1.00 0.00 0.00 59.36 59.18 1jfj h GLU 131 Cb 0.61 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1jfj h GLU 131 CO -0.86 -0.23 0.98 0.74 -1.00 0.00 0.00 179.01 178.63 1jfj h PHE 132 N -0.54 0.00 -0.17 4.33 0.04 0.49 1.36 116.94 122.45 1jfj h PHE 132 Ca -0.05 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.75 1jfj h PHE 132 Cb 0.40 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1jfj h PHE 132 CO -0.03 0.00 0.12 1.03 -0.60 0.00 0.00 178.31 178.83 1jfj h SER 133 N 0.00 0.09 0.00 2.17 0.87 -0.32 -3.51 113.55 112.85 1jfj h SER 133 Ca 0.63 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1jfj h SER 133 Cb 2.59 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 64.53 1jfj h SER 133 CO -0.01 0.06 0.00 -0.11 -0.53 0.00 0.00 176.83 176.24