#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 -0.56 0.08 -5.12 0.00 -2.06 0.82 119.26 112.42 1jfj h ALA 2 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jfj h ALA 2 Cb 0.00 1.35 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1jfj h ALA 2 CO 0.00 -0.97 -0.04 0.93 0.00 0.00 0.00 179.25 179.17 1jfj h GLU 3 N -0.04 -0.11 -1.47 0.00 3.07 -2.00 -2.78 114.58 111.25 1jfj h GLU 3 Ca 0.15 0.01 0.45 0.00 -0.50 0.00 0.00 59.36 59.47 1jfj h GLU 3 Cb 0.43 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.27 1jfj h GLU 3 CO -0.91 0.25 1.00 0.00 -1.40 0.00 0.00 179.01 177.96 1jfj h ALA 4 N 0.38 3.08 0.64 3.43 0.00 -1.59 0.60 119.26 125.81 1jfj h ALA 4 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jfj h ALA 4 Cb 0.41 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jfj h ALA 4 CO 0.02 -1.63 -0.31 -0.07 0.00 0.00 0.00 179.25 177.26 1jfj h LEU 5 N 0.07 -0.73 -1.80 0.00 3.38 0.87 0.39 115.31 117.48 1jfj h LEU 5 Ca 0.80 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.89 1jfj h LEU 5 Cb 2.79 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 43.70 1jfj h LEU 5 CO -0.23 -0.36 0.38 0.15 0.09 0.00 0.00 178.44 178.46 1jfj h PHE 6 N -1.17 0.24 -0.06 1.13 3.04 0.09 0.75 116.94 120.97 1jfj h PHE 6 Ca -0.09 0.01 -0.24 0.00 3.98 0.00 0.00 57.97 61.63 1jfj h PHE 6 Cb 0.69 -0.08 0.01 0.00 2.56 0.00 0.00 35.95 39.14 1jfj h PHE 6 CO 0.00 0.11 -0.91 -0.22 -2.02 0.00 0.00 178.31 175.26 1jfj h LYS 7 N 0.22 0.68 -0.12 1.11 1.63 -0.30 -3.24 116.57 116.55 1jfj h LYS 7 Ca 0.26 -0.65 0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1jfj h LYS 7 Cb 0.73 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 1jfj h LYS 7 CO -0.05 1.25 0.03 1.49 -3.45 0.00 0.00 179.45 178.73 1jfj h GLU 8 N 0.42 0.09 -0.95 1.90 4.81 0.21 -1.83 114.58 119.23 1jfj h GLU 8 Ca -0.09 -0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.39 1jfj h GLU 8 Cb 1.55 -0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.78 1jfj h GLU 8 CO 0.18 0.06 0.46 0.97 -0.73 0.00 0.00 179.01 179.94 1jfj h ILE 9 N 0.09 0.41 -0.18 2.32 -0.00 -1.24 -3.18 117.51 115.74 1jfj h ILE 9 Ca 0.05 -0.13 -0.36 0.00 -0.00 0.00 0.00 64.86 64.42 1jfj h ILE 9 Cb 0.04 -0.01 0.03 0.00 -0.00 0.00 0.00 36.82 36.88 1jfj h ILE 9 CO -0.06 0.07 1.11 0.47 -0.00 0.00 0.00 178.15 179.74 1jfj n ASP 10 N -5.05 2.11 -0.35 2.19 9.92 -0.69 -4.67 116.55 120.02 1jfj n ASP 10 Ca 0.26 -2.60 0.25 0.00 -0.53 0.00 0.00 54.79 52.17 1jfj n ASP 10 Cb 0.77 -1.37 0.53 0.00 -0.64 0.00 0.00 41.12 40.41 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 5.72 0.43 0.04 2.53 2.07 -1.79 1.38 116.25 126.64 1jfj h VAL 11 Ca 0.21 -0.11 -0.22 0.00 0.82 0.00 0.00 66.70 67.39 1jfj h VAL 11 Cb 0.85 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1jfj h VAL 11 CO 1.48 0.06 -1.01 -0.55 0.02 0.00 0.00 177.57 177.57 1jfj h ASN 12 N 0.33 0.28 -3.41 0.57 -1.07 -1.90 -3.49 115.58 106.90 1jfj h ASN 12 Ca 0.65 -0.26 -0.02 0.00 0.07 0.00 0.00 56.30 56.74 1jfj h ASN 12 Cb 1.72 -0.09 0.02 0.00 -2.07 0.00 0.00 38.32 37.90 1jfj h ASN 12 CO -0.34 1.13 -0.07 0.61 0.07 0.00 0.00 177.43 178.83 1jfj n GLY 13 N 1.16 0.01 0.06 9.14 0.00 0.47 -5.01 105.19 111.02 1jfj n GLY 13 Ca -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.43 2.09 0.00 1.61 5.75 -1.26 -5.02 116.55 118.29 1jfj n ASP 14 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1jfj n ASP 14 Cb 0.51 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 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 2.33 1.92 3.36 6.12 0.00 -1.26 -5.11 105.19 112.55 1jfj n GLY 15 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.22 0.13 4.61 0.00 -1.26 -3.88 121.76 119.14 1jfj s ALA 16 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1jfj s ALA 16 Cb 0.00 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 1jfj s ALA 16 CO 0.00 -0.67 0.01 0.28 0.00 0.00 0.00 175.76 175.38 1jfj n VAL 17 N -0.23 0.00 -3.88 0.00 0.31 0.15 -4.66 118.33 110.02 1jfj n VAL 17 Ca -0.09 -0.61 -0.08 0.00 -0.01 0.00 0.00 64.34 63.55 1jfj n VAL 17 Cb 0.63 0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.66 1jfj n VAL 17 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1jfj s SER 18 N -1.70 -0.22 0.21 4.52 1.04 -1.26 -0.96 113.70 115.33 1jfj s SER 18 Ca 0.01 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 1jfj s SER 18 Cb 0.00 0.67 0.31 0.00 0.10 0.00 0.00 66.02 67.10 1jfj s SER 18 CO 0.01 -1.26 1.72 0.22 0.98 0.00 0.00 173.24 174.91 1jfj h TYR 19 N 2.09 0.31 -0.30 5.02 3.20 -1.95 1.49 116.97 126.82 1jfj h TYR 19 Ca -0.22 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.53 1jfj h TYR 19 Cb 1.25 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 1jfj h TYR 19 CO 0.41 0.03 -0.41 1.05 -1.64 0.00 0.00 178.16 177.59 1jfj h GLU 20 N 0.33 0.81 -0.27 1.82 4.11 -1.96 -1.50 114.58 117.92 1jfj h GLU 20 Ca 0.32 -0.47 -0.08 0.00 0.07 0.00 0.00 59.36 59.20 1jfj h GLU 20 Cb 0.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1jfj h GLU 20 CO -0.37 1.10 -0.17 0.93 0.07 0.00 0.00 179.01 180.58 1jfj h GLU 21 N 0.58 0.48 0.55 1.06 5.08 -1.62 0.02 114.58 120.72 1jfj h GLU 21 Ca 0.03 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1jfj h GLU 21 Cb 1.01 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1jfj h GLU 21 CO 0.10 0.63 -0.27 0.28 -1.00 0.00 0.00 179.01 178.75 1jfj h VAL 22 N 0.44 0.14 -0.79 3.13 2.07 0.22 -0.25 116.25 121.20 1jfj h VAL 22 Ca 0.08 -0.45 0.17 0.00 0.82 0.00 0.00 66.70 67.31 1jfj h VAL 22 Cb 0.54 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1jfj h VAL 22 CO 0.04 0.03 0.53 0.07 0.02 0.00 0.00 177.57 178.25 1jfj h LYS 23 N -1.14 0.38 -0.36 1.57 2.10 -1.23 0.24 116.57 118.14 1jfj h LYS 23 Ca -0.08 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.50 1jfj h LYS 23 Cb 0.61 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1jfj h LYS 23 CO 0.12 0.25 0.00 0.00 -2.00 0.00 0.00 179.45 177.83 1jfj h ALA 24 N 1.63 0.48 0.62 0.07 0.00 -0.86 0.22 119.26 121.43 1jfj h ALA 24 Ca 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jfj h ALA 24 Cb 0.96 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1jfj h ALA 24 CO -0.13 0.24 -0.30 0.35 0.00 0.00 0.00 179.25 179.41 1jfj h PHE 25 N 0.44 -0.77 -0.68 0.00 3.57 0.12 -3.00 116.94 116.62 1jfj h PHE 25 Ca 0.10 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1jfj h PHE 25 Cb 0.45 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 1jfj h PHE 25 CO 0.04 -0.44 0.38 -0.39 -2.23 0.00 0.00 178.31 175.66 1jfj h VAL 26 N -0.95 0.96 -1.00 1.41 -1.51 -0.93 -0.98 116.25 113.24 1jfj h VAL 26 Ca -0.08 -0.24 0.39 0.00 -1.23 0.00 0.00 66.70 65.54 1jfj h VAL 26 Cb 0.67 0.21 -0.18 0.00 -2.13 0.00 0.00 31.29 29.87 1jfj h VAL 26 CO 0.14 0.13 0.49 -1.28 -1.23 0.00 0.00 177.57 175.82 1jfj h SER 27 N 0.69 0.27 -1.94 4.19 0.87 -0.41 1.40 113.55 118.63 1jfj h SER 27 Ca 0.31 0.25 0.57 0.00 -1.23 0.00 0.00 61.79 61.69 1jfj h SER 27 Cb 0.21 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 1jfj h SER 27 CO -0.19 -0.38 1.39 0.50 -0.53 0.00 0.00 176.83 177.61 1jfj h LYS 28 N 0.05 0.00 0.00 2.24 1.63 -1.08 -2.12 116.57 117.29 1jfj h LYS 28 Ca 0.81 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.61 1jfj h LYS 28 Cb 2.06 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.69 1jfj h LYS 28 CO -0.76 0.00 0.00 1.17 -3.45 0.00 0.00 179.45 176.41 1jfj n LYS 29 N -3.99 0.00 -1.49 1.90 4.81 0.48 -5.09 118.16 114.78 1jfj n LYS 29 Ca 0.44 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1jfj n LYS 29 Cb 1.99 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 36.57 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 -1.18 0.00 -2.79 1.64 5.12 -0.80 -5.09 116.66 113.56 1jfj n ARG 30 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1jfj n ARG 30 Cb 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.35 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 -3.00 2.00 -1.91 7.54 0.00 -1.26 -3.91 120.51 119.96 1jfj n ALA 31 Ca 0.00 -2.50 -0.40 0.00 0.00 0.00 0.00 53.44 50.54 1jfj n ALA 31 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.07 5.02 -3.61 0.00 0.13 -1.26 -4.58 119.36 115.00 1jfj n ILE 32 Ca 0.09 -4.06 -0.21 0.00 -1.10 0.00 0.00 62.75 57.47 1jfj n ILE 32 Cb 0.78 -2.18 0.06 0.00 -0.84 0.00 0.00 39.64 37.46 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1jfj n LYS 33 N 2.21 -6.10 -0.01 9.51 5.02 -1.26 -4.90 118.16 122.63 1jfj n LYS 33 Ca 0.63 0.74 -0.17 0.00 -2.02 0.00 0.00 58.31 57.49 1jfj n LYS 33 Cb 0.25 -5.58 -0.10 0.00 -0.02 0.00 0.00 35.03 29.58 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 -2.03 0.57 -1.94 4.39 -1.24 -1.92 -3.14 115.58 110.27 1jfj h ASN 34 Ca -0.59 -0.71 0.56 0.00 0.71 0.00 0.00 56.30 56.27 1jfj h ASN 34 Cb 1.36 -0.17 -0.08 0.00 0.73 0.00 0.00 38.32 40.16 1jfj h ASN 34 CO 0.55 1.20 1.41 -1.84 -1.29 0.00 0.00 177.43 177.46 1jfj n GLU 35 N -4.22 0.00 0.38 6.67 0.28 -1.26 0.59 120.64 123.07 1jfj n GLU 35 Ca -0.09 1.07 -0.15 0.00 -0.16 0.00 0.00 57.16 57.83 1jfj n GLU 35 Cb 0.64 -2.49 -0.07 0.00 1.43 0.00 0.00 31.44 30.95 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1jfj h GLN 36 N 0.00 -0.95 0.41 3.44 5.75 -1.93 -0.65 115.11 121.18 1jfj h GLN 36 Ca 0.92 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 59.47 1jfj h GLN 36 Cb 3.74 0.22 0.00 0.00 1.07 0.00 0.00 27.48 32.51 1jfj h GLN 36 CO -0.01 -0.63 -0.20 -0.07 -2.65 0.00 0.00 178.83 175.27 1jfj h LEU 37 N -1.25 -0.47 -0.91 -2.39 -0.00 -0.00 -0.25 115.31 110.04 1jfj h LEU 37 Ca -0.10 -0.11 0.15 0.00 -0.00 0.00 0.00 57.88 57.81 1jfj h LEU 37 Cb 0.76 0.12 -0.15 0.00 -0.00 0.00 0.00 40.66 41.39 1jfj h LEU 37 CO 0.17 -0.09 -0.37 0.17 -0.00 0.00 0.00 178.44 178.32 1jfj h LEU 38 N -0.93 -1.35 -0.82 1.67 8.10 -0.22 1.09 115.31 122.85 1jfj h LEU 38 Ca -0.06 0.29 -0.02 0.00 0.11 0.00 0.00 57.88 58.21 1jfj h LEU 38 Cb 0.56 0.71 -0.04 0.00 -0.44 0.00 0.00 40.66 41.45 1jfj h LEU 38 CO 0.09 -0.29 0.45 -0.61 -4.11 0.00 0.00 178.44 173.97 1jfj h GLN 39 N -0.03 1.14 -0.15 0.17 -0.00 -1.09 0.45 115.11 115.60 1jfj h GLN 39 Ca 0.33 -0.13 0.05 0.00 -0.00 0.00 0.00 58.65 58.89 1jfj h GLN 39 Cb 0.59 -0.23 -0.05 0.00 0.00 0.00 0.00 27.48 27.80 1jfj h GLN 39 CO -0.93 0.84 -0.17 1.25 0.00 0.00 0.00 178.83 179.83 1jfj h LEU 40 N 1.14 -0.53 -0.84 -2.39 5.85 0.29 0.10 115.31 118.93 1jfj h LEU 40 Ca 0.29 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.99 1jfj h LEU 40 Cb 0.03 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1jfj h LEU 40 CO -0.05 -0.21 -0.37 -0.29 -0.34 0.00 0.00 178.44 177.18 1jfj h ILE 41 N -0.20 1.30 0.20 4.05 -0.00 -0.07 -0.96 117.51 121.82 1jfj h ILE 41 Ca 0.10 -1.48 0.01 0.00 -0.00 0.00 0.00 64.86 63.50 1jfj h ILE 41 Cb 0.35 1.55 -0.04 0.00 -0.00 0.00 0.00 36.82 38.69 1jfj h ILE 41 CO -0.27 0.46 -0.37 0.15 -0.00 0.00 0.00 178.15 178.12 1jfj h PHE 42 N 0.36 -1.01 -0.54 2.19 3.57 0.14 0.19 116.94 121.84 1jfj h PHE 42 Ca 0.04 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1jfj h PHE 42 Cb 0.81 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1jfj h PHE 42 CO 0.02 -0.48 -0.09 -0.22 -2.23 0.00 0.00 178.31 175.31 1jfj h LYS 43 N -0.65 1.00 -0.31 1.11 3.64 -0.84 0.53 116.57 121.06 1jfj h LYS 43 Ca 0.01 -0.35 0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1jfj h LYS 43 Cb 0.64 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1jfj h LYS 43 CO -0.17 1.03 -0.21 1.03 -2.27 0.00 0.00 179.45 178.87 1jfj h SER 44 N 0.90 -0.68 0.24 4.20 0.87 -0.63 -3.10 113.55 115.34 1jfj h SER 44 Ca 0.14 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1jfj h SER 44 Cb 0.64 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1jfj h SER 44 CO 0.04 -0.24 -0.11 0.40 -0.53 0.00 0.00 176.83 176.39 1jfj h ILE 45 N -0.17 0.00 -0.48 2.23 1.08 -0.50 -3.41 117.51 116.25 1jfj h ILE 45 Ca 0.16 -0.76 -0.34 0.00 -0.39 0.00 0.00 64.86 63.53 1jfj h ILE 45 Cb 0.42 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 1jfj h ILE 45 CO -0.41 0.00 1.40 -0.67 -0.69 0.00 0.00 178.15 177.78 1jfj n ASP 46 N -4.97 0.71 -0.07 1.72 -0.08 0.18 -4.71 116.55 109.34 1jfj n ASP 46 Ca -0.04 -0.56 -0.11 0.00 -1.51 0.00 0.00 54.79 52.57 1jfj n ASP 46 Cb 0.13 -1.16 -0.09 0.00 2.34 0.00 0.00 41.12 42.33 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 13.84 0.03 -0.97 -1.67 0.00 -1.81 -3.34 119.26 125.34 1jfj h ALA 47 Ca -0.06 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1jfj h ALA 47 Cb 1.18 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1jfj h ALA 47 CO 1.30 0.11 0.64 0.38 0.00 0.00 0.00 179.25 181.69 1jfj h ASP 48 N -1.00 1.10 -0.49 0.00 3.04 -1.95 -3.46 116.42 113.66 1jfj h ASP 48 Ca -0.04 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 1jfj h ASP 48 Cb 0.76 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 1jfj h ASP 48 CO -0.03 0.80 0.00 0.61 -2.04 0.00 0.00 179.24 178.58 1jfj n GLY 49 N -1.39 0.88 0.00 7.15 0.00 -1.25 -4.94 105.19 105.64 1jfj n GLY 49 Ca 0.12 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 1.32 0.00 0.00 1.61 6.94 -1.26 -4.83 115.26 119.04 1jfj n ASN 50 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 54.58 55.01 1jfj n ASN 50 Cb 0.39 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 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 0.30 0.62 3.26 4.83 0.00 -1.26 -4.97 105.19 107.97 1jfj n GLY 51 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 1.13 0.35 1.61 2.02 -1.26 -3.13 118.70 119.09 1jfj s GLU 52 Ca 0.00 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.50 1jfj s GLU 52 Cb 0.00 -0.41 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 1jfj s GLU 52 CO 0.00 -0.08 0.19 0.96 0.02 0.00 0.00 175.26 176.36 1jfj s ILE 53 N -3.54 0.29 0.15 -1.63 -4.36 -0.14 -4.90 121.20 107.07 1jfj s ILE 53 Ca 0.23 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1jfj s ILE 53 Cb 0.05 -2.44 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 1jfj s ILE 53 CO 0.04 0.00 0.01 -0.90 0.24 0.00 0.00 174.94 174.33 1jfj n ASP 54 N -1.31 1.99 -0.13 4.36 5.75 -1.26 0.31 116.55 126.26 1jfj n ASP 54 Ca 0.01 -1.68 -0.08 0.00 -0.01 0.00 0.00 54.79 53.03 1jfj n ASP 54 Cb 0.64 0.17 -0.00 0.00 -1.03 0.00 0.00 41.12 40.90 1jfj n ASP 54 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1jfj h GLN 55 N 0.00 0.56 0.98 0.11 4.20 -1.97 0.33 115.11 119.33 1jfj h GLN 55 Ca -0.12 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1jfj h GLN 55 Cb 0.39 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1jfj h GLN 55 CO 0.20 0.45 -0.47 -0.97 -0.67 0.00 0.00 178.83 177.37 1jfj h ASN 56 N 0.52 -1.12 -1.02 1.46 -1.24 -1.96 0.53 115.58 112.75 1jfj h ASN 56 Ca 0.14 0.04 0.26 0.00 0.71 0.00 0.00 56.30 57.45 1jfj h ASN 56 Cb 0.05 0.29 -0.12 0.00 0.73 0.00 0.00 38.32 39.28 1jfj h ASN 56 CO -0.02 -0.78 0.62 -0.08 -1.29 0.00 0.00 177.43 175.87 1jfj h GLU 57 N -1.35 0.49 -0.50 6.67 4.81 -1.94 0.38 114.58 123.15 1jfj h GLU 57 Ca -0.13 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1jfj h GLU 57 Cb 1.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1jfj h GLU 57 CO 0.22 0.33 0.04 0.35 -0.73 0.00 0.00 179.01 179.22 1jfj h PHE 58 N 0.51 0.92 -0.73 0.92 3.57 -0.51 0.26 116.94 121.88 1jfj h PHE 58 Ca 0.64 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 62.00 1jfj h PHE 58 Cb 1.35 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1jfj h PHE 58 CO -0.01 0.85 0.48 0.00 -2.23 0.00 0.00 178.31 177.41 1jfj h ALA 59 N 0.95 0.93 -0.00 2.41 0.00 0.20 0.88 119.26 124.62 1jfj h ALA 59 Ca 0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1jfj h ALA 59 Cb 0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jfj h ALA 59 CO 0.02 0.33 -0.61 0.87 0.00 0.00 0.00 179.25 179.86 1jfj h LYS 60 N 0.98 0.02 -0.11 0.00 1.57 -0.88 -3.16 116.57 114.98 1jfj h LYS 60 Ca 0.27 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1jfj h LYS 60 Cb -0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1jfj h LYS 60 CO -0.06 0.62 0.02 0.35 -0.57 0.00 0.00 179.45 179.81 1jfj h PHE 61 N 0.01 0.19 -1.07 -1.35 3.04 0.84 -2.70 116.94 115.90 1jfj h PHE 61 Ca -0.01 -0.02 0.30 0.00 3.98 0.00 0.00 57.97 62.21 1jfj h PHE 61 Cb 1.08 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.48 1jfj h PHE 61 CO 0.00 0.37 0.74 -0.92 -2.02 0.00 0.00 178.31 176.48 1jfj h TYR 62 N -0.05 0.25 -0.34 0.41 3.20 -0.85 -0.71 116.97 118.89 1jfj h TYR 62 Ca 0.03 0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.65 1jfj h TYR 62 Cb 0.28 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.38 1jfj h TYR 62 CO 0.01 0.03 -0.02 0.41 -1.64 0.00 0.00 178.16 176.95 1jfj n GLY 63 N -1.64 3.41 2.80 1.82 0.00 -1.02 -4.77 105.19 105.78 1jfj n GLY 63 Ca 0.24 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 1.65 3.76 -2.38 1.61 7.64 -0.28 -4.64 113.62 120.98 1jfj n SER 64 Ca 0.36 -2.78 -0.35 0.00 1.01 0.00 0.00 58.87 57.11 1jfj n SER 64 Cb 0.71 -1.50 0.07 0.00 -1.01 0.00 0.00 64.21 62.48 1jfj n SER 64 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1jfj n ILE 65 N 5.25 3.56 0.00 0.44 -5.35 -1.26 -4.28 119.36 117.72 1jfj n ILE 65 Ca 0.52 -3.18 0.00 0.00 -0.27 0.00 0.00 62.75 59.82 1jfj n ILE 65 Cb 0.38 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.11 1jfj n ILE 65 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1jfj n GLN 66 N -0.86 0.00 -1.54 6.28 0.00 -1.26 -5.08 117.38 114.92 1jfj n GLN 66 Ca 0.61 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 57.18 1jfj n GLN 66 Cb 0.63 -0.42 -0.00 0.00 0.00 0.00 0.00 30.24 30.45 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jfj n GLY 67 N 2.40 -0.70 3.86 1.69 0.00 -1.26 -4.96 105.19 106.22 1jfj n GLY 67 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.68 0.49 0.31 1.61 -0.21 -1.26 -5.14 119.66 113.77 1jfj s GLN 68 Ca 0.62 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 55.45 1jfj s GLN 68 Cb -0.64 0.14 -0.16 0.00 1.00 0.00 0.00 33.01 33.35 1jfj s GLN 68 CO 0.58 -0.23 0.37 -0.25 -2.12 0.00 0.00 175.29 173.64 1jfj n ASP 69 N -0.90 -1.76 -3.77 5.90 8.00 -1.26 -4.97 116.55 117.79 1jfj n ASP 69 Ca -0.01 0.98 -0.13 0.00 0.71 0.00 0.00 54.79 56.34 1jfj n ASP 69 Cb 0.60 -0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 40.65 1jfj n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jfj s LEU 70 N 3.32 0.87 0.54 0.64 2.96 -1.26 -5.02 118.68 120.73 1jfj s LEU 70 Ca 0.62 0.28 0.33 0.00 -0.22 0.00 0.00 54.13 55.15 1jfj s LEU 70 Cb -0.77 1.16 1.50 0.00 0.50 0.00 0.00 46.19 48.59 1jfj s LEU 70 CO 0.59 -0.31 1.86 0.28 -1.32 0.00 0.00 176.35 177.45 1jfj h SER 71 N 4.58 0.01 -1.73 3.68 0.02 -2.01 0.21 113.55 118.31 1jfj h SER 71 Ca -0.28 0.00 0.50 0.00 -0.84 0.00 0.00 61.79 61.17 1jfj h SER 71 Cb 1.18 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 1jfj h SER 71 CO 0.36 0.00 1.26 0.44 -1.14 0.00 0.00 176.83 177.75 1jfj h ASP 72 N 0.01 0.00 0.06 3.07 5.19 -1.97 1.54 116.42 124.32 1jfj h ASP 72 Ca 0.48 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1jfj h ASP 72 Cb 1.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.42 1jfj h ASP 72 CO -0.01 0.00 -0.03 0.44 -3.12 0.00 0.00 179.24 176.52 1jfj h ASP 73 N 0.00 -0.07 0.36 6.45 3.32 -1.00 -0.82 116.42 124.66 1jfj h ASP 73 Ca 0.82 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.58 1jfj h ASP 73 Cb 3.33 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 42.88 1jfj h ASP 73 CO -0.01 0.18 -0.36 0.07 -1.72 0.00 0.00 179.24 177.40 1jfj h LYS 74 N -0.32 0.00 0.00 3.56 2.10 0.18 -1.71 116.57 120.39 1jfj h LYS 74 Ca -0.01 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 1jfj h LYS 74 Cb 0.28 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1jfj h LYS 74 CO 0.01 0.36 -0.31 0.82 -2.00 0.00 0.00 179.45 178.34 1jfj h ILE 75 N 0.00 1.21 0.08 0.07 5.03 -0.26 0.53 117.51 124.18 1jfj h ILE 75 Ca -0.00 -1.06 -0.00 0.00 -0.12 0.00 0.00 64.86 63.67 1jfj h ILE 75 Cb 0.63 1.57 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 1jfj h ILE 75 CO 0.05 0.30 -0.04 1.23 -0.68 0.00 0.00 178.15 179.01 1jfj h GLY 76 N 0.93 -0.11 1.54 5.37 0.00 -0.23 0.33 103.07 110.91 1jfj h GLY 76 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1jfj h GLY 76 CO 0.04 -0.04 0.14 -2.00 0.00 0.00 0.00 176.54 174.68 1jfj h LEU 77 N -0.70 0.53 -0.30 3.11 5.85 -1.35 -0.16 115.31 122.30 1jfj h LEU 77 Ca -0.01 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.44 1jfj h LEU 77 Cb 0.56 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1jfj h LEU 77 CO 0.02 0.51 -0.82 0.50 -0.34 0.00 0.00 178.44 178.30 1jfj h LYS 78 N 0.58 0.40 -0.60 1.25 3.64 -0.89 0.19 116.57 121.14 1jfj h LYS 78 Ca 0.14 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1jfj h LYS 78 Cb 0.16 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1jfj h LYS 78 CO -0.01 1.03 0.25 0.28 -2.27 0.00 0.00 179.45 178.73 1jfj h VAL 79 N 0.25 1.22 0.03 2.00 2.07 0.68 0.29 116.25 122.79 1jfj h VAL 79 Ca -0.05 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jfj h VAL 79 Cb 1.43 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1jfj h VAL 79 CO 0.14 0.27 -0.01 -0.07 0.02 0.00 0.00 177.57 177.92 1jfj h LEU 80 N 0.82 -0.03 -0.79 2.57 4.07 -1.02 0.97 115.31 121.90 1jfj h LEU 80 Ca 0.20 -0.53 0.17 0.00 0.08 0.00 0.00 57.88 57.80 1jfj h LEU 80 Cb 0.18 0.01 -0.11 0.00 1.08 0.00 0.00 40.66 41.82 1jfj h LEU 80 CO -0.02 0.52 0.28 0.22 -1.08 0.00 0.00 178.44 178.36 1jfj h TYR 81 N -0.60 0.46 -0.02 1.13 3.20 -0.83 0.40 116.97 120.70 1jfj h TYR 81 Ca -0.00 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 1jfj h TYR 81 Cb 0.56 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1jfj h TYR 81 CO 0.11 -0.02 -0.81 1.57 -1.64 0.00 0.00 178.16 177.37 1jfj h LYS 82 N 0.37 0.27 -0.10 1.82 5.09 -0.94 -2.96 116.57 120.12 1jfj h LYS 82 Ca 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 60.65 60.91 1jfj h LYS 82 Cb 0.77 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.16 1jfj h LYS 82 CO -0.48 0.95 -0.05 1.25 -2.09 0.00 0.00 179.45 179.03 1jfj h LEU 83 N 0.17 0.13 -0.07 7.07 6.46 0.21 -2.48 115.31 126.80 1jfj h LEU 83 Ca -0.04 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1jfj h LEU 83 Cb 1.41 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 1jfj h LEU 83 CO 0.13 0.20 0.04 -0.03 -0.62 0.00 0.00 178.44 178.16 1jfj h MET 84 N 0.14 0.10 -5.27 1.25 4.05 -0.22 -3.38 114.93 111.59 1jfj h MET 84 Ca 0.03 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 1jfj h MET 84 Cb 0.18 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1jfj h MET 84 CO 0.01 0.16 0.75 -0.25 0.23 0.00 0.00 176.91 177.80 1jfj n ASP 85 N -4.99 0.97 0.02 1.39 8.00 -0.93 -4.62 116.55 116.39 1jfj n ASP 85 Ca -0.06 -1.10 0.12 0.00 0.71 0.00 0.00 54.79 54.46 1jfj n ASP 85 Cb 0.08 -1.34 0.15 0.00 -0.02 0.00 0.00 41.12 39.98 1jfj n ASP 85 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1jfj n VAL 86 N 7.85 0.10 0.11 2.53 3.14 -1.26 -3.92 118.33 126.88 1jfj n VAL 86 Ca 0.52 -0.11 -0.23 0.00 -2.96 0.00 0.00 64.34 61.56 1jfj n VAL 86 Cb 0.35 0.24 -0.14 0.00 -1.06 0.00 0.00 33.84 33.23 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 0.84 -0.77 6.55 3.32 -1.96 -3.49 116.42 120.91 1jfj h ASP 87 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1jfj h ASP 87 Cb 0.60 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1jfj h ASP 87 CO 0.00 1.63 0.00 0.61 -1.72 0.00 0.00 179.24 179.76 1jfj n GLY 88 N 1.52 0.64 1.51 2.75 0.00 -1.25 -5.06 105.19 105.30 1jfj n GLY 88 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.29 0.13 -0.06 1.61 5.68 -1.26 -5.08 116.55 117.28 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 0.13 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 1.96 0.77 3.51 6.12 0.00 -1.26 -5.12 105.19 111.17 1jfj n GLY 90 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.03 1.07 0.41 1.61 -2.85 -1.26 -3.82 119.74 114.93 1jfj s LYS 91 Ca 0.00 0.19 0.05 0.00 -1.00 0.00 0.00 55.97 55.21 1jfj s LYS 91 Cb 0.00 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 36.21 1jfj s LYS 91 CO 0.00 -0.35 0.03 -1.17 0.10 0.00 0.00 175.35 173.96 1jfj s LEU 92 N -1.32 2.57 0.25 2.77 2.96 0.59 -4.91 118.68 121.59 1jfj s LEU 92 Ca -0.10 -1.44 0.01 0.00 -0.22 0.00 0.00 54.13 52.38 1jfj s LEU 92 Cb -0.00 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 1jfj s LEU 92 CO 0.08 -0.58 0.13 0.42 -1.32 0.00 0.00 176.35 175.08 1jfj s THR 93 N -2.90 0.27 0.31 3.68 -4.23 -1.26 0.20 115.64 111.71 1jfj s THR 93 Ca 0.30 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1jfj s THR 93 Cb 0.08 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.52 1jfj s THR 93 CO 0.15 0.00 1.84 0.07 -0.54 0.00 0.00 174.62 176.14 1jfj h LYS 94 N 2.43 0.65 0.00 3.99 5.09 -1.91 0.19 116.57 127.03 1jfj h LYS 94 Ca -0.36 -0.14 -0.00 0.00 0.09 0.00 0.00 60.65 60.24 1jfj h LYS 94 Cb 1.25 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.48 1jfj h LYS 94 CO 0.55 0.65 -0.00 1.49 -2.09 0.00 0.00 179.45 180.05 1jfj h GLU 95 N 0.63 -0.00 0.98 0.07 4.81 -1.96 -0.27 114.58 118.83 1jfj h GLU 95 Ca 0.13 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1jfj h GLU 95 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1jfj h GLU 95 CO 0.01 0.45 -0.47 0.93 -0.73 0.00 0.00 179.01 179.20 1jfj h GLU 96 N -0.46 -1.27 -0.81 1.92 5.08 -1.91 0.16 114.58 117.29 1jfj h GLU 96 Ca -0.00 0.09 0.17 0.00 -1.00 0.00 0.00 59.36 58.61 1jfj h GLU 96 Cb 0.45 0.29 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 1jfj h GLU 96 CO 0.00 -0.84 0.35 -0.24 -1.00 0.00 0.00 179.01 177.27 1jfj h VAL 97 N -1.35 0.61 -0.46 3.13 3.04 -0.72 0.62 116.25 121.11 1jfj h VAL 97 Ca -0.13 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1jfj h VAL 97 Cb 1.01 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 1jfj h VAL 97 CO 0.22 0.08 0.19 0.74 -1.01 0.00 0.00 177.57 177.80 1jfj h THR 98 N 0.46 1.17 0.46 3.17 2.02 -0.78 -0.04 112.91 119.37 1jfj h THR 98 Ca 0.47 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1jfj h THR 98 Cb 0.76 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1jfj h THR 98 CO -0.44 0.21 -0.22 -1.28 0.37 0.00 0.00 175.52 174.16 1jfj h SER 99 N 0.66 -0.53 -0.95 4.18 0.87 0.30 0.22 113.55 118.29 1jfj h SER 99 Ca 0.16 -0.02 0.20 0.00 -1.23 0.00 0.00 61.79 60.90 1jfj h SER 99 Cb 0.12 0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 62.10 1jfj h SER 99 CO -0.02 -0.10 0.53 0.15 -0.53 0.00 0.00 176.83 176.87 1jfj h PHE 100 N -1.13 0.93 -0.01 2.24 3.57 -0.43 0.26 116.94 122.37 1jfj h PHE 100 Ca -0.06 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.30 1jfj h PHE 100 Cb 0.51 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1jfj h PHE 100 CO 0.01 0.14 -0.78 0.74 -2.23 0.00 0.00 178.31 176.18 1jfj h PHE 101 N 0.63 0.13 -1.52 0.41 0.04 -1.02 -3.15 116.94 112.46 1jfj h PHE 101 Ca 0.57 -0.07 0.46 0.00 2.80 0.00 0.00 57.97 61.73 1jfj h PHE 101 Cb 0.95 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.99 1jfj h PHE 101 CO -0.05 0.83 1.04 -0.22 -0.60 0.00 0.00 178.31 179.32 1jfj h LYS 102 N 0.06 0.05 -0.91 1.51 3.64 0.29 1.38 116.57 122.59 1jfj h LYS 102 Ca -0.02 -0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1jfj h LYS 102 Cb 1.37 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.06 1jfj h LYS 102 CO 0.11 0.03 0.42 -0.22 -2.27 0.00 0.00 179.45 177.52 1jfj h LYS 103 N 0.05 0.42 0.00 1.90 1.63 -1.54 -1.74 116.57 117.29 1jfj h LYS 103 Ca 0.82 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.56 1jfj h LYS 103 Cb 2.91 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 34.44 1jfj h LYS 103 CO -0.21 0.28 -0.16 0.45 -3.45 0.00 0.00 179.45 176.35 1jfj h HIS 104 N 0.43 0.00 0.00 1.91 3.86 0.16 -3.48 115.15 118.02 1jfj h HIS 104 Ca 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1jfj h HIS 104 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1jfj h HIS 104 CO -0.12 0.95 0.00 0.41 0.86 0.00 0.00 177.93 180.03 1jfj n GLY 105 N 1.61 0.95 2.68 2.45 0.00 -0.65 -5.00 105.19 107.22 1jfj n GLY 105 Ca -0.12 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.09 3.72 -0.49 -0.61 -5.35 -1.26 -4.73 119.36 108.56 1jfj n ILE 106 Ca 0.00 -3.15 0.42 0.00 -0.27 0.00 0.00 62.75 59.75 1jfj n ILE 106 Cb 0.00 -2.57 0.65 0.00 -1.74 0.00 0.00 39.64 35.98 1jfj n ILE 106 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1jfj n GLU 107 N 5.37 0.01 -0.27 6.28 0.28 -1.26 0.21 120.64 131.25 1jfj n GLU 107 Ca 0.54 1.04 0.32 0.00 -0.16 0.00 0.00 57.16 58.91 1jfj n GLU 107 Cb 0.36 -2.48 0.73 0.00 1.43 0.00 0.00 31.44 31.48 1jfj n GLU 107 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1jfj h LYS 108 N 0.00 0.02 -0.25 3.44 2.10 -2.01 1.65 116.57 121.52 1jfj h LYS 108 Ca 0.74 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.33 1jfj h LYS 108 Cb 3.38 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 34.69 1jfj h LYS 108 CO -0.01 0.01 -0.12 -0.24 -2.00 0.00 0.00 179.45 177.09 1jfj h VAL 109 N 0.02 1.21 -0.84 0.07 3.04 0.20 -0.92 116.25 119.04 1jfj h VAL 109 Ca 0.52 -0.94 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 1jfj h VAL 109 Cb 2.03 1.17 -0.04 0.00 -2.01 0.00 0.00 31.29 32.44 1jfj h VAL 109 CO -0.02 0.30 0.48 0.00 -1.01 0.00 0.00 177.57 177.32 1jfj h ALA 110 N 1.50 1.27 -0.11 3.17 0.00 0.23 0.40 119.26 125.72 1jfj h ALA 110 Ca 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jfj h ALA 110 Cb 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jfj h ALA 110 CO 0.03 0.61 -0.25 1.49 0.00 0.00 0.00 179.25 181.13 1jfj h GLU 111 N 1.16 0.35 -0.38 0.00 4.57 -1.22 -0.99 114.58 118.07 1jfj h GLU 111 Ca 0.30 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1jfj h GLU 111 Cb -0.01 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1jfj h GLU 111 CO -0.05 0.85 0.14 1.96 -1.18 0.00 0.00 179.01 180.73 1jfj h GLN 112 N -0.09 0.54 -0.13 1.92 4.20 -0.83 -0.65 115.11 120.06 1jfj h GLN 112 Ca -0.00 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1jfj h GLN 112 Cb 0.85 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1jfj h GLN 112 CO 0.05 0.45 -0.21 0.28 -0.67 0.00 0.00 178.83 178.74 1jfj h VAL 113 N 0.53 1.37 -0.98 -0.54 2.07 -0.16 0.65 116.25 119.19 1jfj h VAL 113 Ca 0.13 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1jfj h VAL 113 Cb 0.12 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1jfj h VAL 113 CO -0.01 0.42 0.64 0.24 0.02 0.00 0.00 177.57 178.88 1jfj h MET 114 N -0.02 1.14 -0.01 1.57 2.86 -0.65 -0.77 114.93 119.05 1jfj h MET 114 Ca 0.01 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 1jfj h MET 114 Cb 0.78 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1jfj h MET 114 CO 0.05 0.75 -0.83 0.87 1.06 0.00 0.00 176.91 178.82 1jfj h LYS 115 N 1.18 0.18 0.43 1.72 6.56 -1.08 -3.27 116.57 122.29 1jfj h LYS 115 Ca 0.41 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.80 1jfj h LYS 115 Cb 0.11 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1jfj h LYS 115 CO -0.15 0.91 -0.37 0.00 -2.06 0.00 0.00 179.45 177.78 1jfj h ALA 116 N 1.03 -0.84 -0.24 3.86 0.00 0.52 -3.28 119.26 120.32 1jfj h ALA 116 Ca -0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 1jfj h ALA 116 Cb 1.43 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1jfj h ALA 116 CO 0.12 -1.00 0.92 -0.25 0.00 0.00 0.00 179.25 179.05 1jfj n ASP 117 N -5.48 2.25 0.10 0.00 8.00 -0.57 -4.55 116.55 116.29 1jfj n ASP 117 Ca -0.11 -2.61 -0.18 0.00 0.71 0.00 0.00 54.79 52.60 1jfj n ASP 117 Cb 0.38 -1.54 -0.14 0.00 -0.02 0.00 0.00 41.12 39.80 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jfj h ALA 118 N 10.12 0.09 -0.11 2.24 0.00 -1.81 -3.21 119.26 126.57 1jfj h ALA 118 Ca 0.18 -0.95 0.03 0.00 0.00 0.00 0.00 54.91 54.18 1jfj h ALA 118 Cb 0.90 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jfj h ALA 118 CO 1.33 0.96 0.09 -2.95 0.00 0.00 0.00 179.25 178.68 1jfj h ASN 119 N 0.09 0.00 -2.85 0.00 -1.07 -1.93 -3.48 115.58 106.35 1jfj h ASN 119 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.17 1jfj h ASN 119 Cb 2.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.28 1jfj h ASN 119 CO 0.21 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.32 1jfj n GLY 120 N -1.54 -2.70 0.14 9.14 0.00 -1.21 -5.06 105.19 103.96 1jfj n GLY 120 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 1.61 5.75 -1.26 -5.02 116.55 117.61 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 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 122 N -0.85 1.43 3.60 6.12 0.00 -1.26 -5.11 105.19 109.12 1jfj n GLY 122 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.04 0.17 0.16 1.61 2.02 -1.26 -3.72 117.35 114.28 1jfj s TYR 123 Ca 0.00 -0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 1jfj s TYR 123 Cb 0.00 0.30 0.01 0.00 -0.40 0.00 0.00 41.96 41.88 1jfj s TYR 123 CO 0.00 -1.00 0.38 0.42 -1.57 0.00 0.00 175.55 173.78 1jfj s ILE 124 N -3.97 0.06 0.15 2.71 1.01 0.13 -4.87 121.20 116.42 1jfj s ILE 124 Ca 0.17 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1jfj s ILE 124 Cb -0.01 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1jfj s ILE 124 CO 0.06 -0.28 0.02 0.35 0.00 0.00 0.00 174.94 175.09 1jfj n THR 125 N -0.24 0.00 0.02 2.92 -2.24 -1.26 -0.30 114.28 113.17 1jfj n THR 125 Ca -0.11 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 60.81 1jfj n THR 125 Cb 0.63 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.13 -1.02 3.22 3.38 -1.96 -0.17 115.31 118.64 1jfj h LEU 126 Ca -0.12 -0.41 0.10 0.00 0.09 0.00 0.00 57.88 57.54 1jfj h LEU 126 Cb 0.40 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1jfj h LEU 126 CO 0.20 0.50 0.64 1.05 0.09 0.00 0.00 178.44 180.91 1jfj h GLU 127 N -0.91 1.03 -0.26 1.13 9.09 -1.98 0.66 114.58 123.35 1jfj h GLU 127 Ca -0.02 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.22 1jfj h GLU 127 Cb 0.53 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1jfj h GLU 127 CO 0.02 0.68 -0.27 1.49 0.05 0.00 0.00 179.01 180.99 1jfj h GLU 128 N 1.07 0.64 -0.24 1.06 4.81 -1.97 -1.44 114.58 118.51 1jfj h GLU 128 Ca 0.47 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jfj h GLU 128 Cb 0.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1jfj h GLU 128 CO -0.23 0.95 0.15 0.35 -0.73 0.00 0.00 179.01 179.50 1jfj h PHE 129 N 0.37 0.31 0.29 0.92 3.57 0.09 0.14 116.94 122.61 1jfj h PHE 129 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1jfj h PHE 129 Cb 0.84 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1jfj h PHE 129 CO 0.07 0.20 -0.14 1.25 -2.23 0.00 0.00 178.31 177.47 1jfj h LEU 130 N 0.33 -0.32 -1.93 0.59 5.85 -0.76 -2.65 115.31 116.42 1jfj h LEU 130 Ca 0.09 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.02 1jfj h LEU 130 Cb -0.02 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1jfj h LEU 130 CO -0.02 0.14 0.59 -0.08 -0.34 0.00 0.00 178.44 178.73 1jfj h GLU 131 N -1.09 0.06 0.00 1.25 4.81 -1.09 0.71 114.58 119.23 1jfj h GLU 131 Ca -0.04 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 1jfj h GLU 131 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1jfj h GLU 131 CO 0.06 0.04 -0.59 0.35 -0.73 0.00 0.00 179.01 178.15 1jfj h PHE 132 N 0.06 0.00 0.00 0.92 3.57 -0.74 -2.81 116.94 117.94 1jfj h PHE 132 Ca 0.40 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 1jfj h PHE 132 Cb 1.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 1jfj h PHE 132 CO -0.00 0.59 -0.21 0.66 -2.23 0.00 0.00 178.31 177.12 1jfj h SER 133 N 0.00 0.00 0.00 0.41 4.64 0.82 -3.51 113.55 115.92 1jfj h SER 133 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jfj h SER 133 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1jfj h SER 133 CO 0.08 0.21 0.00 0.18 -0.87 0.00 0.00 176.83 176.42