#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 0.63 -1.19 3.04 0.00 -2.07 0.51 119.26 120.18 1jfj h ALA 2 Ca 0.00 0.22 0.42 0.00 0.00 0.00 0.00 54.91 55.55 1jfj h ALA 2 Cb 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.04 1jfj h ALA 2 CO 0.00 -0.41 0.72 1.05 0.00 0.00 0.00 179.25 180.61 1jfj h GLU 3 N 0.08 0.09 -0.05 0.00 4.11 -2.01 0.78 114.58 117.58 1jfj h GLU 3 Ca 0.35 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.82 1jfj h GLU 3 Cb 0.59 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1jfj h GLU 3 CO -0.61 0.06 -0.26 0.00 0.07 0.00 0.00 179.01 178.27 1jfj h ALA 4 N 1.75 -0.31 -0.93 1.06 0.00 -0.40 -2.25 119.26 118.18 1jfj h ALA 4 Ca 0.82 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.83 1jfj h ALA 4 Cb 2.38 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 20.52 1jfj h ALA 4 CO -0.55 -0.75 -0.59 -0.07 0.00 0.00 0.00 179.25 177.30 1jfj h LEU 5 N -0.37 -2.13 -1.42 0.00 3.38 0.54 1.59 115.31 116.89 1jfj h LEU 5 Ca 0.08 0.32 0.34 0.00 0.09 0.00 0.00 57.88 58.70 1jfj h LEU 5 Cb 0.48 0.94 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 1jfj h LEU 5 CO -0.26 -0.25 0.75 0.15 0.09 0.00 0.00 178.44 178.92 1jfj h PHE 6 N -0.05 0.56 -0.02 1.13 3.57 -1.37 1.49 116.94 122.26 1jfj h PHE 6 Ca 0.15 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 1jfj h PHE 6 Cb 0.43 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1jfj h PHE 6 CO -0.99 -0.04 -0.85 -0.22 -2.23 0.00 0.00 178.31 173.98 1jfj h LYS 7 N 0.25 0.28 0.91 1.11 3.11 0.24 -3.19 116.57 119.29 1jfj h LYS 7 Ca 0.68 -0.28 -0.04 0.00 -2.81 0.00 0.00 60.65 58.19 1jfj h LYS 7 Cb 1.96 0.08 0.01 0.00 -1.00 0.00 0.00 32.23 33.28 1jfj h LYS 7 CO -0.32 0.97 -0.44 1.49 -2.81 0.00 0.00 179.45 178.34 1jfj h GLU 8 N 0.17 -1.18 -1.45 1.90 4.81 0.64 -2.35 114.58 117.12 1jfj h GLU 8 Ca -0.05 0.08 0.42 0.00 -0.13 0.00 0.00 59.36 59.69 1jfj h GLU 8 Cb 1.46 0.27 -0.07 0.00 0.63 0.00 0.00 28.75 31.03 1jfj h GLU 8 CO 0.14 -0.78 1.03 0.97 -0.73 0.00 0.00 179.01 179.63 1jfj h ILE 9 N -1.32 0.25 -0.26 2.32 6.09 -1.16 -3.05 117.51 120.38 1jfj h ILE 9 Ca -0.12 -0.01 -0.59 0.00 -1.37 0.00 0.00 64.86 62.76 1jfj h ILE 9 Cb 0.93 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1jfj h ILE 9 CO 0.20 0.01 2.17 0.47 -3.07 0.00 0.00 178.15 177.94 1jfj n ASP 10 N -4.19 3.35 -0.20 2.19 9.92 -0.89 -4.67 116.55 122.08 1jfj n ASP 10 Ca 0.33 -2.76 0.05 0.00 -0.53 0.00 0.00 54.79 51.88 1jfj n ASP 10 Cb 1.50 -1.49 0.32 0.00 -0.64 0.00 0.00 41.12 40.81 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 4.96 1.06 -0.42 2.53 2.07 -1.76 -1.25 116.25 123.43 1jfj h VAL 11 Ca 0.41 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1jfj h VAL 11 Cb 0.76 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1jfj h VAL 11 CO 1.69 0.15 0.11 0.78 0.02 0.00 0.00 177.57 180.32 1jfj h ASN 12 N 0.83 0.06 -1.22 0.57 4.21 -1.90 -3.47 115.58 114.66 1jfj h ASN 12 Ca 0.31 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.88 1jfj h ASN 12 Cb 0.18 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1jfj h ASN 12 CO -0.10 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.72 1jfj n GLY 13 N -1.25 0.77 0.37 2.83 0.00 -0.47 -5.04 105.19 102.39 1jfj n GLY 13 Ca 0.03 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.61 2.17 0.00 1.61 5.75 -1.26 -5.04 116.55 119.17 1jfj n ASP 14 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1jfj n ASP 14 Cb 0.23 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 2.93 1.46 3.04 6.12 0.00 -1.26 -5.11 105.19 112.36 1jfj n GLY 15 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.35 0.00 4.61 0.00 -1.26 -3.19 121.76 120.27 1jfj s ALA 16 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1jfj s ALA 16 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1jfj s ALA 16 CO 0.00 -0.23 0.00 1.33 0.00 0.00 0.00 175.76 176.86 1jfj n VAL 17 N 0.95 0.00 -4.19 0.00 0.24 0.18 -4.89 118.33 110.62 1jfj n VAL 17 Ca -0.20 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1jfj n VAL 17 Cb 0.57 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.87 0.34 0.20 -1.34 1.04 -1.26 -1.29 113.70 110.52 1jfj s SER 18 Ca 0.00 -1.40 -0.10 0.00 0.48 0.00 0.00 55.95 54.93 1jfj s SER 18 Cb 0.00 0.42 0.26 0.00 0.10 0.00 0.00 66.02 66.80 1jfj s SER 18 CO 0.00 -0.90 1.75 0.10 0.98 0.00 0.00 173.24 175.17 1jfj h TYR 19 N 2.52 0.42 -0.33 5.02 -0.00 -1.89 0.67 116.97 123.37 1jfj h TYR 19 Ca -0.34 0.03 -0.14 0.00 0.00 0.00 0.00 58.73 58.28 1jfj h TYR 19 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 37.87 1jfj h TYR 19 CO 0.55 0.13 -0.35 1.05 -0.00 0.00 0.00 178.16 179.53 1jfj h GLU 20 N 0.43 0.74 -0.19 0.10 4.11 -1.97 -1.68 114.58 116.12 1jfj h GLU 20 Ca 0.29 -0.36 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1jfj h GLU 20 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1jfj h GLU 20 CO -0.28 0.98 -0.28 1.49 0.07 0.00 0.00 179.01 180.99 1jfj h GLU 21 N 0.62 0.37 0.05 1.06 4.81 -1.62 -0.17 114.58 119.70 1jfj h GLU 21 Ca 0.06 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1jfj h GLU 21 Cb 0.89 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1jfj h GLU 21 CO 0.08 0.62 -0.02 0.28 -0.73 0.00 0.00 179.01 179.24 1jfj h VAL 22 N 0.33 1.24 -0.99 0.32 2.07 0.54 0.47 116.25 120.22 1jfj h VAL 22 Ca 0.05 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1jfj h VAL 22 Cb 0.67 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1jfj h VAL 22 CO 0.05 0.25 0.65 0.11 0.02 0.00 0.00 177.57 178.65 1jfj h LYS 23 N -0.51 1.21 -0.38 1.57 1.57 -1.19 -0.65 116.57 118.18 1jfj h LYS 23 Ca -0.01 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1jfj h LYS 23 Cb 0.45 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1jfj h LYS 23 CO 0.01 0.80 -0.28 0.00 -0.57 0.00 0.00 179.45 179.41 1jfj h ALA 24 N 1.41 0.55 0.41 3.86 0.00 -0.93 0.36 119.26 124.93 1jfj h ALA 24 Ca 0.40 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jfj h ALA 24 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1jfj h ALA 24 CO -0.13 0.58 -0.47 0.35 0.00 0.00 0.00 179.25 179.58 1jfj h PHE 25 N 0.68 -1.31 -0.06 0.00 3.57 0.11 1.68 116.94 121.59 1jfj h PHE 25 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1jfj h PHE 25 Cb 0.86 0.52 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 1jfj h PHE 25 CO 0.06 -0.62 -0.00 -0.24 -2.23 0.00 0.00 178.31 175.27 1jfj h VAL 26 N -0.91 1.26 -0.96 1.41 3.04 -1.20 -2.85 116.25 116.05 1jfj h VAL 26 Ca -0.04 -0.82 0.14 0.00 -1.01 0.00 0.00 66.70 64.97 1jfj h VAL 26 Cb 0.81 1.69 -0.08 0.00 -2.01 0.00 0.00 31.29 31.70 1jfj h VAL 26 CO -0.10 0.23 0.61 0.28 -1.01 0.00 0.00 177.57 177.57 1jfj h SER 27 N -0.19 0.80 -1.01 3.17 0.02 -0.12 1.40 113.55 117.63 1jfj h SER 27 Ca 0.02 0.05 0.23 0.00 -0.84 0.00 0.00 61.79 61.25 1jfj h SER 27 Cb 0.36 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.68 1jfj h SER 27 CO 0.00 0.41 0.61 0.11 -1.14 0.00 0.00 176.83 176.82 1jfj h LYS 28 N 0.85 0.60 0.00 3.45 1.79 0.28 0.13 116.57 123.66 1jfj h LYS 28 Ca 0.49 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1jfj h LYS 28 Cb 0.63 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1jfj h LYS 28 CO -0.25 0.39 -0.27 1.63 -1.08 0.00 0.00 179.45 179.88 1jfj n LYS 29 N -4.80 1.41 -1.97 3.15 4.76 0.50 -5.03 118.16 116.19 1jfj n LYS 29 Ca 0.25 -2.93 -0.03 0.00 -2.87 0.00 0.00 58.31 52.74 1jfj n LYS 29 Cb 0.70 -1.54 -0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jfj n ARG 30 N -1.25 0.15 -2.64 1.97 5.12 0.45 -5.03 116.66 115.44 1jfj n ARG 30 Ca 0.17 -0.53 -0.43 0.00 -1.93 0.00 0.00 57.85 55.13 1jfj n ARG 30 Cb 0.67 0.53 -0.02 0.00 -1.16 0.00 0.00 32.46 32.48 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj s ALA 31 N -1.72 3.28 0.54 7.54 0.00 -1.26 -4.53 121.76 125.60 1jfj s ALA 31 Ca 0.05 -0.36 0.46 0.00 0.00 0.00 0.00 51.96 52.11 1jfj s ALA 31 Cb -0.00 -3.80 1.68 0.00 0.00 0.00 0.00 23.12 21.00 1jfj s ALA 31 CO 0.04 -1.98 1.61 0.97 0.00 0.00 0.00 175.76 176.40 1jfj h ILE 32 N 6.05 0.06 -0.88 0.00 2.10 -1.93 2.41 117.51 125.34 1jfj h ILE 32 Ca -0.22 -0.00 0.25 0.00 1.08 0.00 0.00 64.86 65.97 1jfj h ILE 32 Cb 1.06 0.06 -0.04 0.00 -1.09 0.00 0.00 36.82 36.81 1jfj h ILE 32 CO 1.09 0.00 0.66 0.11 -1.08 0.00 0.00 178.15 178.93 1jfj h LYS 33 N 0.01 0.00 -0.62 2.19 1.79 -1.96 0.88 116.57 118.86 1jfj h LYS 33 Ca 0.88 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 59.53 1jfj h LYS 33 Cb 3.44 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 34.07 1jfj h LYS 33 CO -0.07 0.00 0.46 -0.97 -1.08 0.00 0.00 179.45 177.78 1jfj h ASN 34 N 0.00 0.00 -0.98 0.86 -0.73 0.38 -1.12 115.58 113.98 1jfj h ASN 34 Ca 0.42 0.00 0.40 0.00 1.87 0.00 0.00 56.30 58.98 1jfj h ASN 34 Cb 1.73 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 40.16 1jfj h ASN 34 CO -0.00 0.00 0.56 -0.62 -0.37 0.00 0.00 177.43 176.99 1jfj n GLU 35 N -4.30 -0.05 0.14 6.67 1.02 0.31 0.93 120.64 125.36 1jfj n GLU 35 Ca 0.12 1.25 -0.07 0.00 -0.02 0.00 0.00 57.16 58.44 1jfj n GLU 35 Cb 0.71 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1jfj h GLN 36 N 0.00 -0.42 -0.05 3.49 5.75 -1.40 -1.05 115.11 121.43 1jfj h GLN 36 Ca 0.79 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 59.34 1jfj h GLN 36 Cb 2.17 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 30.76 1jfj h GLN 36 CO -0.65 -0.28 -0.49 -0.07 -2.65 0.00 0.00 178.83 174.69 1jfj h LEU 37 N -0.98 -1.52 -0.11 -2.39 3.38 -0.70 0.23 115.31 113.21 1jfj h LEU 37 Ca -0.04 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1jfj h LEU 37 Cb 0.33 0.58 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1jfj h LEU 37 CO 0.07 -0.46 -0.51 0.25 0.09 0.00 0.00 178.44 177.89 1jfj h LEU 38 N -0.58 -1.60 -1.00 1.67 5.85 0.42 0.19 115.31 120.26 1jfj h LEU 38 Ca 0.02 0.19 0.40 0.00 0.84 0.00 0.00 57.88 59.32 1jfj h LEU 38 Cb 0.64 0.62 -0.18 0.00 0.37 0.00 0.00 40.66 42.11 1jfj h LEU 38 CO -0.35 -0.45 0.47 -0.61 -0.34 0.00 0.00 178.44 177.15 1jfj h GLN 39 N -0.55 0.00 0.07 1.25 4.15 -0.63 1.31 115.11 120.70 1jfj h GLN 39 Ca 0.03 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1jfj h GLN 39 Cb 0.64 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1jfj h GLN 39 CO -0.40 0.00 -0.03 1.25 -1.93 0.00 0.00 178.83 177.72 1jfj h LEU 40 N 0.00 -0.08 0.84 -2.39 6.46 0.14 -1.42 115.31 118.86 1jfj h LEU 40 Ca 0.82 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 58.31 1jfj h LEU 40 Cb 2.11 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 42.06 1jfj h LEU 40 CO -0.79 0.18 -0.46 0.40 -0.62 0.00 0.00 178.44 177.15 1jfj h ILE 41 N -0.34 0.00 -0.86 4.05 2.04 0.29 -0.07 117.51 122.63 1jfj h ILE 41 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1jfj h ILE 41 Cb 0.29 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.26 1jfj h ILE 41 CO 0.02 0.00 -0.58 0.15 0.00 0.00 0.00 178.15 177.73 1jfj h PHE 42 N -1.20 -1.85 -0.35 1.37 3.04 0.09 0.60 116.94 118.64 1jfj h PHE 42 Ca -0.11 0.12 0.08 0.00 3.98 0.00 0.00 57.97 62.03 1jfj h PHE 42 Cb 0.94 0.92 -0.08 0.00 2.56 0.00 0.00 35.95 40.29 1jfj h PHE 42 CO -0.05 -0.40 -0.20 -0.22 -2.02 0.00 0.00 178.31 175.42 1jfj h LYS 43 N -0.10 -0.15 -0.99 1.11 3.64 -1.18 1.17 116.57 120.07 1jfj h LYS 43 Ca 0.14 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 1jfj h LYS 43 Cb 0.45 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 1jfj h LYS 43 CO -0.86 -0.10 0.62 1.03 -2.27 0.00 0.00 179.45 177.87 1jfj h SER 44 N -0.15 0.80 0.12 4.20 0.87 0.14 -1.70 113.55 117.82 1jfj h SER 44 Ca 0.18 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1jfj h SER 44 Cb 0.42 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1jfj h SER 44 CO -0.44 0.35 -0.06 0.40 -0.53 0.00 0.00 176.83 176.55 1jfj h ILE 45 N 0.82 1.06 -0.49 2.23 2.04 0.32 -3.42 117.51 120.07 1jfj h ILE 45 Ca 0.54 -1.16 -0.55 0.00 1.00 0.00 0.00 64.86 64.68 1jfj h ILE 45 Cb 0.77 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 1jfj h ILE 45 CO -0.32 0.26 1.63 -0.67 0.00 0.00 0.00 178.15 179.05 1jfj n ASP 46 N -4.90 1.03 -0.10 1.72 2.03 0.37 -4.74 116.55 111.96 1jfj n ASP 46 Ca -0.08 0.13 -0.20 0.00 0.52 0.00 0.00 54.79 55.16 1jfj n ASP 46 Cb 0.27 -1.10 -0.09 0.00 -0.72 0.00 0.00 41.12 39.48 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj n ALA 47 N 11.15 0.81 0.14 -1.67 0.00 -1.26 -4.45 120.51 125.24 1jfj n ALA 47 Ca 0.55 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1jfj n ALA 47 Cb 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 1jfj n ALA 47 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1jfj h ASP 48 N -1.00 -0.33 0.00 0.00 3.04 -1.98 -3.47 116.42 112.69 1jfj h ASP 48 Ca -0.34 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 1jfj h ASP 48 Cb 1.21 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1jfj h ASP 48 CO -0.21 -0.21 0.00 0.61 -2.04 0.00 0.00 179.24 177.39 1jfj n GLY 49 N -1.25 1.44 0.22 7.15 0.00 -1.26 -4.99 105.19 106.49 1jfj n GLY 49 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1jfj n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1jfj h ASN 50 N 0.00 0.00 -0.99 1.61 7.08 -1.93 -3.46 115.58 117.89 1jfj h ASN 50 Ca 0.00 -0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.08 1jfj h ASN 50 Cb 0.00 -0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1jfj h ASN 50 CO 0.00 0.23 -0.17 0.61 -2.08 0.00 0.00 177.43 176.01 1jfj n GLY 51 N -0.90 0.10 3.31 9.14 0.00 -1.26 -5.02 105.19 110.56 1jfj n GLY 51 Ca -0.02 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.35 1.78 0.06 1.61 2.02 -1.26 -3.35 118.70 115.21 1jfj s GLU 52 Ca 0.00 -2.04 -0.10 0.00 0.02 0.00 0.00 54.97 52.85 1jfj s GLU 52 Cb -0.00 0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.44 1jfj s GLU 52 CO 0.00 -0.63 0.23 0.42 0.02 0.00 0.00 175.26 175.30 1jfj s ILE 53 N -3.42 0.11 0.30 -1.63 1.01 -0.41 -4.88 121.20 112.28 1jfj s ILE 53 Ca 0.38 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1jfj s ILE 53 Cb 0.02 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1jfj s ILE 53 CO 0.26 -0.50 0.05 -0.90 0.00 0.00 0.00 174.94 173.85 1jfj n ASP 54 N 0.41 1.97 0.01 3.58 5.68 -1.26 0.49 116.55 127.43 1jfj n ASP 54 Ca -0.18 -2.43 -0.11 0.00 -0.50 0.00 0.00 54.79 51.57 1jfj n ASP 54 Cb 0.60 0.47 -0.06 0.00 -1.14 0.00 0.00 41.12 40.99 1jfj n ASP 54 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1jfj h GLN 55 N 0.00 0.10 0.88 0.11 3.07 -1.96 0.58 115.11 117.88 1jfj h GLN 55 Ca -0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.45 1jfj h GLN 55 Cb 0.81 -0.02 0.01 0.00 0.08 0.00 0.00 27.48 28.36 1jfj h GLN 55 CO 0.39 0.07 -0.42 -0.97 0.09 0.00 0.00 178.83 177.98 1jfj h ASN 56 N 0.10 -1.00 -0.80 0.06 -1.24 -1.97 0.15 115.58 110.88 1jfj h ASN 56 Ca 0.03 0.03 0.22 0.00 0.71 0.00 0.00 56.30 57.30 1jfj h ASN 56 Cb -0.01 0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 1jfj h ASN 56 CO -0.01 -0.67 0.57 -0.33 -1.29 0.00 0.00 177.43 175.70 1jfj h GLU 57 N -1.28 0.05 -0.10 6.67 5.08 -1.94 0.34 114.58 123.39 1jfj h GLU 57 Ca -0.12 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.02 1jfj h GLU 57 Cb 0.91 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1jfj h GLU 57 CO 0.20 0.04 -0.79 0.35 -1.00 0.00 0.00 179.01 177.81 1jfj h PHE 58 N 0.06 0.83 -0.27 4.33 3.57 0.62 0.33 116.94 126.42 1jfj h PHE 58 Ca 0.39 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1jfj h PHE 58 Cb 1.45 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1jfj h PHE 58 CO -0.00 1.18 0.10 0.00 -2.23 0.00 0.00 178.31 177.36 1jfj h ALA 59 N 0.71 0.35 -0.22 2.41 0.00 0.25 0.18 119.26 122.94 1jfj h ALA 59 Ca -0.05 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1jfj h ALA 59 Cb 1.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jfj h ALA 59 CO 0.15 -0.04 -0.58 -0.22 0.00 0.00 0.00 179.25 178.56 1jfj h LYS 60 N 0.28 0.78 -0.50 0.00 3.11 -1.24 -3.19 116.57 115.80 1jfj h LYS 60 Ca 0.09 -0.54 0.05 0.00 -2.81 0.00 0.00 60.65 57.43 1jfj h LYS 60 Cb 0.21 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.48 1jfj h LYS 60 CO -0.01 1.17 0.25 0.35 -2.81 0.00 0.00 179.45 178.40 1jfj h PHE 61 N 0.52 0.45 -1.18 1.91 3.04 -0.15 -1.42 116.94 120.11 1jfj h PHE 61 Ca -0.01 0.02 0.35 0.00 3.98 0.00 0.00 57.97 62.31 1jfj h PHE 61 Cb 1.20 -0.13 -0.11 0.00 2.56 0.00 0.00 35.95 39.47 1jfj h PHE 61 CO 0.08 0.21 0.76 -0.92 -2.02 0.00 0.00 178.31 176.43 1jfj h TYR 62 N 0.48 0.56 0.33 0.41 3.20 -0.63 -1.60 116.97 119.72 1jfj h TYR 62 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1jfj h TYR 62 Cb 0.15 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jfj h TYR 62 CO -0.11 -0.06 -0.16 0.78 -1.64 0.00 0.00 178.16 176.97 1jfj h GLY 63 N 0.23 -0.47 -5.41 1.82 0.00 -1.34 -3.24 103.07 94.66 1jfj h GLY 63 Ca 0.69 0.17 -0.35 0.00 0.00 0.00 0.00 47.33 47.85 1jfj h GLY 63 CO -0.33 -0.17 2.42 1.44 0.00 0.00 0.00 176.54 179.90 1jfj n SER 64 N -3.38 4.64 0.01 0.19 7.64 -0.60 -4.27 113.62 117.85 1jfj n SER 64 Ca -0.06 -2.29 0.13 0.00 1.01 0.00 0.00 58.87 57.66 1jfj n SER 64 Cb 0.18 -1.06 0.43 0.00 -1.01 0.00 0.00 64.21 62.75 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 4.16 0.05 -4.25 0.44 3.06 -1.22 -4.80 119.36 116.80 1jfj n ILE 65 Ca 0.42 -0.03 -0.33 0.00 -2.50 0.00 0.00 62.75 60.30 1jfj n ILE 65 Cb 0.14 -0.18 -0.08 0.00 0.54 0.00 0.00 39.64 40.06 1jfj n ILE 65 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 1jfj s GLN 66 N -3.02 2.92 0.00 9.51 0.74 -1.26 -5.04 119.66 123.51 1jfj s GLN 66 Ca 0.12 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1jfj s GLN 66 Cb 0.18 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1jfj s GLN 66 CO 0.61 0.65 0.00 0.41 -0.55 0.00 0.00 175.29 176.42 1jfj n GLY 67 N 1.53 2.32 3.26 2.59 0.00 -1.26 -5.10 105.19 108.53 1jfj n GLY 67 Ca -0.15 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 2.93 1.42 0.18 1.61 0.00 -1.26 -5.17 119.66 119.36 1jfj s GLN 68 Ca 0.00 -1.78 0.07 0.00 -0.00 0.00 0.00 55.36 53.65 1jfj s GLN 68 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 33.01 33.08 1jfj s GLN 68 CO 0.00 -0.43 -0.15 -0.51 0.00 0.00 0.00 175.29 174.20 1jfj s ASP 69 N -3.27 2.45 -0.68 12.60 1.01 -1.26 -5.09 116.67 122.42 1jfj s ASP 69 Ca 0.38 -0.94 -0.23 0.00 0.71 0.00 0.00 52.55 52.47 1jfj s ASP 69 Cb 0.06 -0.12 0.06 0.00 1.01 0.00 0.00 42.92 43.93 1jfj s ASP 69 CO 0.16 -0.14 1.03 -0.76 0.21 0.00 0.00 175.17 175.67 1jfj s LEU 70 N -2.98 4.17 0.05 1.23 1.43 -1.26 -4.87 118.68 116.45 1jfj s LEU 70 Ca 0.18 -0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 52.15 1jfj s LEU 70 Cb -0.03 -2.44 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 1jfj s LEU 70 CO 0.06 -1.51 1.44 0.28 0.23 0.00 0.00 176.35 176.85 1jfj h SER 71 N 9.64 0.32 -1.44 2.29 0.02 -2.00 -2.60 113.55 119.77 1jfj h SER 71 Ca -0.27 -0.37 0.42 0.00 -0.84 0.00 0.00 61.79 60.73 1jfj h SER 71 Cb 1.06 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.46 1jfj h SER 71 CO 1.20 0.61 1.05 -0.78 -1.14 0.00 0.00 176.83 177.78 1jfj h ASP 72 N 0.02 0.00 -0.46 3.07 3.58 -1.98 1.54 116.42 122.19 1jfj h ASP 72 Ca 0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1jfj h ASP 72 Cb 0.48 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1jfj h ASP 72 CO 0.02 0.00 0.23 -0.78 -2.88 0.00 0.00 179.24 175.83 1jfj h ASP 73 N 0.00 0.59 0.75 2.28 3.58 -1.87 0.06 116.42 121.82 1jfj h ASP 73 Ca 0.69 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.89 1jfj h ASP 73 Cb 2.79 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 43.67 1jfj h ASP 73 CO -0.01 0.54 -0.61 0.07 -2.88 0.00 0.00 179.24 176.35 1jfj h LYS 74 N 0.60 0.00 -0.39 0.28 2.10 0.20 -3.07 116.57 116.29 1jfj h LYS 74 Ca 0.16 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.79 1jfj h LYS 74 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1jfj h LYS 74 CO -0.02 0.61 0.16 0.82 -2.00 0.00 0.00 179.45 179.02 1jfj h ILE 75 N 0.00 1.19 0.34 0.07 2.04 -0.19 0.75 117.51 121.71 1jfj h ILE 75 Ca -0.01 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1jfj h ILE 75 Cb 1.15 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1jfj h ILE 75 CO 0.08 0.21 -0.35 1.23 0.00 0.00 0.00 178.15 179.32 1jfj h GLY 76 N 0.48 -0.81 0.64 5.37 0.00 -0.92 0.36 103.07 108.19 1jfj h GLY 76 Ca 0.13 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 1jfj h GLY 76 CO -0.01 -0.29 -0.42 1.41 0.00 0.00 0.00 176.54 177.22 1jfj h LEU 77 N -0.72 -1.13 -0.89 3.11 4.07 -1.46 -1.35 115.31 116.94 1jfj h LEU 77 Ca -0.02 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.11 1jfj h LEU 77 Cb 0.66 0.37 -0.12 0.00 1.08 0.00 0.00 40.66 42.65 1jfj h LEU 77 CO -0.07 -0.60 -0.57 0.50 -1.08 0.00 0.00 178.44 176.63 1jfj h LYS 78 N -0.91 -0.07 -0.51 1.13 3.64 -0.72 0.34 116.57 119.47 1jfj h LYS 78 Ca -0.05 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1jfj h LYS 78 Cb 0.79 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.52 1jfj h LYS 78 CO -0.02 -0.05 -0.45 0.28 -2.27 0.00 0.00 179.45 176.94 1jfj h VAL 79 N -0.07 0.09 -0.62 2.00 2.07 -0.63 0.36 116.25 119.44 1jfj h VAL 79 Ca 0.16 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.81 1jfj h VAL 79 Cb 0.46 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.20 1jfj h VAL 79 CO -0.88 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 176.49 1jfj h LEU 80 N -0.28 -0.57 -1.64 2.57 3.38 0.64 0.74 115.31 120.16 1jfj h LEU 80 Ca 0.15 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1jfj h LEU 80 Cb 0.57 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1jfj h LEU 80 CO -0.64 -0.20 0.30 0.22 0.09 0.00 0.00 178.44 178.20 1jfj h TYR 81 N 0.00 0.45 -0.42 1.13 3.20 0.28 0.13 116.97 121.73 1jfj h TYR 81 Ca 0.30 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.03 1jfj h TYR 81 Cb 0.46 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1jfj h TYR 81 CO -0.50 0.26 -0.31 -0.22 -1.64 0.00 0.00 178.16 175.74 1jfj h LYS 82 N 0.46 0.95 0.21 1.82 3.11 0.40 -2.34 116.57 121.19 1jfj h LYS 82 Ca 0.19 -0.46 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1jfj h LYS 82 Cb 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1jfj h LYS 82 CO -0.05 1.12 -0.10 1.25 -2.81 0.00 0.00 179.45 178.87 1jfj h LEU 83 N 0.80 -0.24 -0.59 5.20 6.46 0.71 -3.17 115.31 124.47 1jfj h LEU 83 Ca 0.08 -0.21 0.11 0.00 -0.12 0.00 0.00 57.88 57.75 1jfj h LEU 83 Cb 0.90 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.77 1jfj h LEU 83 CO 0.08 0.09 -0.24 -0.03 -0.62 0.00 0.00 178.44 177.72 1jfj h MET 84 N -0.59 -0.09 -3.26 1.25 4.05 -0.80 -2.04 114.93 113.44 1jfj h MET 84 Ca -0.03 0.01 -0.43 0.00 -0.28 0.00 0.00 59.70 58.97 1jfj h MET 84 Cb 0.43 0.02 0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1jfj h MET 84 CO 0.05 -0.06 2.72 -0.25 0.23 0.00 0.00 176.91 179.59 1jfj n ASP 85 N -5.44 5.72 0.18 1.39 8.00 -0.88 -4.27 116.55 121.25 1jfj n ASP 85 Ca 0.06 -2.37 0.12 0.00 0.71 0.00 0.00 54.79 53.31 1jfj n ASP 85 Cb 0.34 -1.19 0.12 0.00 -0.02 0.00 0.00 41.12 40.37 1jfj n ASP 85 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1jfj h VAL 86 N 3.26 0.02 -0.02 2.53 3.04 -1.53 -3.30 116.25 120.26 1jfj h VAL 86 Ca 0.56 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1jfj h VAL 86 Cb 0.24 1.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1jfj h VAL 86 CO 1.45 0.01 -0.02 -2.24 -1.01 0.00 0.00 177.57 175.76 1jfj h ASP 87 N 0.00 0.05 0.00 3.17 2.03 -1.87 -3.49 116.42 116.32 1jfj h ASP 87 Ca -0.00 -0.50 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1jfj h ASP 87 Cb 1.01 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1jfj h ASP 87 CO 0.00 0.54 0.00 0.61 -1.03 0.00 0.00 179.24 179.36 1jfj n GLY 88 N 0.25 0.64 0.86 7.15 0.00 -1.24 -5.09 105.19 107.76 1jfj n GLY 88 Ca -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 1jfj n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 89 N 0.00 0.49 0.00 1.61 2.03 -1.26 -5.03 116.55 114.39 1jfj n ASP 89 Ca 0.00 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1jfj n ASP 89 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jfj n GLY 90 N 2.78 3.01 3.54 0.27 0.00 -1.26 -5.03 105.19 108.50 1jfj n GLY 90 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.43 1.82 0.32 1.61 1.02 -1.26 -3.72 119.74 119.09 1jfj s LYS 91 Ca 0.00 -1.94 0.03 0.00 0.02 0.00 0.00 55.97 54.08 1jfj s LYS 91 Cb 0.00 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1jfj s LYS 91 CO 0.00 0.14 0.10 -1.17 -0.92 0.00 0.00 175.35 173.50 1jfj s LEU 92 N -3.61 1.88 0.21 3.17 2.96 -0.42 -4.95 118.68 117.91 1jfj s LEU 92 Ca 0.32 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.76 1jfj s LEU 92 Cb 0.02 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 1jfj s LEU 92 CO 0.17 -0.76 0.13 0.42 -1.32 0.00 0.00 176.35 174.98 1jfj s THR 93 N -3.48 0.07 0.36 3.68 -4.23 -1.26 0.24 115.64 111.01 1jfj s THR 93 Ca 0.34 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.98 1jfj s THR 93 Cb 0.07 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.47 1jfj s THR 93 CO 0.15 0.00 1.81 0.07 -0.54 0.00 0.00 174.62 176.11 1jfj h LYS 94 N 2.59 0.00 0.05 3.99 2.10 -1.87 -1.47 116.57 121.96 1jfj h LYS 94 Ca -0.36 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1jfj h LYS 94 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1jfj h LYS 94 CO 0.54 0.39 -0.03 1.49 -2.00 0.00 0.00 179.45 179.84 1jfj h GLU 95 N 0.00 -0.07 -0.59 0.07 4.57 -1.96 0.15 114.58 116.75 1jfj h GLU 95 Ca -0.00 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1jfj h GLU 95 Cb 0.70 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.24 1jfj h GLU 95 CO 0.05 0.53 0.23 1.49 -1.18 0.00 0.00 179.01 180.14 1jfj h GLU 96 N -0.78 0.41 -0.28 1.92 4.81 -1.94 0.17 114.58 118.90 1jfj h GLU 96 Ca -0.01 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1jfj h GLU 96 Cb 0.64 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1jfj h GLU 96 CO 0.01 0.27 -0.25 -0.24 -0.73 0.00 0.00 179.01 178.08 1jfj h VAL 97 N 0.43 1.30 -0.16 0.32 3.04 -1.34 0.17 116.25 120.01 1jfj h VAL 97 Ca 0.29 -1.41 0.05 0.00 -1.01 0.00 0.00 66.70 64.62 1jfj h VAL 97 Cb 0.32 1.59 -0.06 0.00 -2.01 0.00 0.00 31.29 31.13 1jfj h VAL 97 CO -0.27 0.45 -0.26 0.74 -1.01 0.00 0.00 177.57 177.21 1jfj h THR 98 N 0.39 0.38 0.36 3.17 2.02 0.31 0.13 112.91 119.67 1jfj h THR 98 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1jfj h THR 98 Cb 0.81 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1jfj h THR 98 CO 0.06 0.00 -0.17 0.28 0.37 0.00 0.00 175.52 176.06 1jfj h SER 99 N -0.31 -0.41 -0.98 4.18 0.02 -0.69 0.11 113.55 115.47 1jfj h SER 99 Ca 0.11 -0.15 0.24 0.00 -0.84 0.00 0.00 61.79 61.15 1jfj h SER 99 Cb 0.48 0.11 -0.18 0.00 0.14 0.00 0.00 62.40 62.94 1jfj h SER 99 CO -0.34 -0.02 -0.08 0.15 -1.14 0.00 0.00 176.83 175.40 1jfj h PHE 100 N -0.87 -0.24 -0.05 3.45 3.57 -0.45 0.69 116.94 123.05 1jfj h PHE 100 Ca -0.05 0.08 -0.24 0.00 3.53 0.00 0.00 57.97 61.29 1jfj h PHE 100 Cb 0.53 0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.55 1jfj h PHE 100 CO 0.03 -0.43 -0.92 0.74 -2.23 0.00 0.00 178.31 175.50 1jfj h PHE 101 N 0.01 0.89 -0.98 0.41 0.04 -0.71 -3.18 116.94 113.41 1jfj h PHE 101 Ca 0.54 -0.45 0.25 0.00 2.80 0.00 0.00 57.97 61.11 1jfj h PHE 101 Cb 1.01 -0.11 -0.13 0.00 2.20 0.00 0.00 35.95 38.92 1jfj h PHE 101 CO -0.60 1.27 0.55 -0.22 -0.60 0.00 0.00 178.31 178.71 1jfj h LYS 102 N 0.38 0.50 -0.83 1.51 3.11 0.30 1.46 116.57 123.02 1jfj h LYS 102 Ca -0.09 -0.03 0.22 0.00 -2.81 0.00 0.00 60.65 57.95 1jfj h LYS 102 Cb 1.55 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 32.63 1jfj h LYS 102 CO 0.17 0.33 0.58 0.87 -2.81 0.00 0.00 179.45 178.60 1jfj h LYS 103 N 0.52 0.11 0.00 1.90 1.57 -1.11 -1.70 116.57 117.86 1jfj h LYS 103 Ca 0.64 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.35 1jfj h LYS 103 Cb 1.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1jfj h LYS 103 CO -0.50 0.08 -0.44 1.25 -0.57 0.00 0.00 179.45 179.27 1jfj h HIS 104 N 0.12 0.00 0.00 -1.35 2.76 0.18 -3.49 115.15 113.37 1jfj h HIS 104 Ca 0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1jfj h HIS 104 Cb 1.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.38 1jfj h HIS 104 CO -0.00 0.78 0.00 0.41 -1.30 0.00 0.00 177.93 177.82 1jfj n GLY 105 N 1.60 1.25 3.41 5.26 0.00 -0.20 -5.04 105.19 111.46 1jfj n GLY 105 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 1.77 0.12 -0.61 3.06 -1.25 -4.59 119.36 117.86 1jfj n ILE 106 Ca 0.00 -1.74 -0.03 0.00 -2.50 0.00 0.00 62.75 58.49 1jfj n ILE 106 Cb 0.00 -2.21 0.09 0.00 0.54 0.00 0.00 39.64 38.05 1jfj n ILE 106 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1jfj h GLU 107 N 9.13 0.00 -0.57 9.51 5.08 -1.92 -3.27 114.58 132.55 1jfj h GLU 107 Ca 0.29 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.74 1jfj h GLU 107 Cb 0.84 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.98 1jfj h GLU 107 CO 1.51 0.72 -0.41 0.87 -1.00 0.00 0.00 179.01 180.70 1jfj h LYS 108 N 0.00 -0.21 -1.28 2.33 1.57 -2.00 1.45 116.57 118.44 1jfj h LYS 108 Ca -0.01 0.01 0.37 0.00 -1.87 0.00 0.00 60.65 59.16 1jfj h LYS 108 Cb 1.30 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 1jfj h LYS 108 CO 0.09 -0.14 0.90 -0.24 -0.57 0.00 0.00 179.45 179.49 1jfj h VAL 109 N -0.22 0.35 -0.54 0.50 3.04 -1.96 1.66 116.25 119.07 1jfj h VAL 109 Ca 0.19 -0.03 -0.09 0.00 -1.01 0.00 0.00 66.70 65.77 1jfj h VAL 109 Cb 0.56 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 1jfj h VAL 109 CO -0.68 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 175.90 1jfj h ALA 110 N 1.41 0.73 -0.13 3.17 0.00 0.18 0.29 119.26 124.92 1jfj h ALA 110 Ca 0.64 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 1jfj h ALA 110 Cb 2.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1jfj h ALA 110 CO -0.09 0.55 -0.45 1.49 0.00 0.00 0.00 179.25 180.75 1jfj h GLU 111 N 0.84 0.53 -0.87 0.00 4.81 0.29 -0.85 114.58 119.33 1jfj h GLU 111 Ca 0.15 -0.40 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1jfj h GLU 111 Cb 0.53 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 1jfj h GLU 111 CO 0.03 1.02 0.56 1.96 -0.73 0.00 0.00 179.01 181.85 1jfj h GLN 112 N 0.15 1.07 -0.23 1.92 4.20 -0.40 -0.69 115.11 121.13 1jfj h GLN 112 Ca -0.02 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1jfj h GLN 112 Cb 1.08 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1jfj h GLN 112 CO 0.10 0.70 -0.17 0.28 -0.67 0.00 0.00 178.83 179.07 1jfj h VAL 113 N 1.10 1.32 -0.66 -0.54 2.07 -0.92 0.91 116.25 119.52 1jfj h VAL 113 Ca 0.34 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.67 1jfj h VAL 113 Cb -0.01 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1jfj h VAL 113 CO -0.11 0.40 0.23 0.24 0.02 0.00 0.00 177.57 178.35 1jfj h MET 114 N 0.21 0.37 -0.00 1.57 2.86 -0.54 0.33 114.93 119.73 1jfj h MET 114 Ca 0.04 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 1jfj h MET 114 Cb 0.71 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1jfj h MET 114 CO 0.05 0.25 -0.78 0.87 1.06 0.00 0.00 176.91 178.35 1jfj h LYS 115 N 0.39 0.08 0.61 1.72 1.57 -1.08 -3.26 116.57 116.59 1jfj h LYS 115 Ca 0.35 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1jfj h LYS 115 Cb 0.49 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1jfj h LYS 115 CO -0.37 0.82 -0.29 0.00 -0.57 0.00 0.00 179.45 179.04 1jfj h ALA 116 N 1.15 -0.81 -2.19 3.86 0.00 0.15 -3.32 119.26 118.10 1jfj h ALA 116 Ca -0.02 -0.18 -0.73 0.00 0.00 0.00 0.00 54.91 53.98 1jfj h ALA 116 Cb 1.38 0.32 -0.21 0.00 0.00 0.00 0.00 17.79 19.28 1jfj h ALA 116 CO 0.11 -0.95 0.67 0.34 0.00 0.00 0.00 179.25 179.43 1jfj s ASP 117 N -4.49 6.77 -0.27 0.00 -1.08 0.91 -4.78 116.67 113.74 1jfj s ASP 117 Ca -0.17 -2.45 0.08 0.00 -0.52 0.00 0.00 52.55 49.49 1jfj s ASP 117 Cb 0.03 -2.33 0.45 0.00 -1.46 0.00 0.00 42.92 39.61 1jfj s ASP 117 CO 0.62 -0.83 1.20 0.00 0.52 0.00 0.00 175.17 176.68 1jfj n ALA 118 N 5.46 4.62 -1.25 3.66 0.00 -1.25 -4.38 120.51 127.37 1jfj n ALA 118 Ca 0.23 -3.64 -0.24 0.00 0.00 0.00 0.00 53.44 49.79 1jfj n ALA 118 Cb 0.47 -0.34 0.17 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.83 3.98 0.00 0.00 0.23 -1.26 -4.92 115.26 112.46 1jfj n ASN 119 Ca 0.37 -3.63 0.00 0.00 -0.53 0.00 0.00 54.58 50.79 1jfj n ASN 119 Cb 0.89 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 120 N -1.13 1.31 0.37 4.83 0.00 -1.26 -4.63 105.19 104.68 1jfj n GLY 120 Ca 0.59 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 1jfj n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jfj h ASP 121 N 0.00 -1.91 -0.46 1.61 3.32 -1.91 -3.45 116.42 113.63 1jfj h ASP 121 Ca 0.00 0.29 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 1jfj h ASP 121 Cb 0.00 0.84 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1jfj h ASP 121 CO 0.00 -0.21 -0.12 0.61 -1.72 0.00 0.00 179.24 177.80 1jfj n GLY 122 N -1.23 0.55 3.18 2.75 0.00 -1.26 -5.02 105.19 104.15 1jfj n GLY 122 Ca 0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.23 1.04 0.49 1.61 2.02 -1.26 -2.64 117.35 116.38 1jfj s TYR 123 Ca 0.00 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 1jfj s TYR 123 Cb 0.00 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1jfj s TYR 123 CO 0.00 -0.01 0.01 0.96 -1.57 0.00 0.00 175.55 174.93 1jfj s ILE 124 N -2.58 1.31 0.00 2.71 -4.36 0.14 -4.95 121.20 113.47 1jfj s ILE 124 Ca 0.06 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1jfj s ILE 124 Cb -0.02 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1jfj s ILE 124 CO -0.00 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.53 1jfj n THR 125 N -1.19 0.00 0.02 8.37 -2.24 -1.26 -1.30 114.28 116.68 1jfj n THR 125 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1jfj n THR 125 Cb 0.67 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.02 3.22 3.38 -1.96 -2.12 115.31 117.68 1jfj h LEU 126 Ca 0.00 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1jfj h LEU 126 Cb 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jfj h LEU 126 CO 0.00 0.49 -0.02 -0.08 0.09 0.00 0.00 178.44 178.93 1jfj h GLU 127 N -0.92 0.05 -0.92 1.13 4.22 -1.98 0.12 114.58 116.29 1jfj h GLU 127 Ca -0.02 -0.02 0.14 0.00 0.08 0.00 0.00 59.36 59.54 1jfj h GLU 127 Cb 0.52 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1jfj h GLU 127 CO 0.03 0.49 0.53 1.49 -2.18 0.00 0.00 179.01 179.36 1jfj h GLU 128 N -0.39 0.74 -0.02 1.92 4.81 -1.96 0.15 114.58 119.84 1jfj h GLU 128 Ca 0.00 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.99 1jfj h GLU 128 Cb 0.48 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1jfj h GLU 128 CO 0.00 0.49 -0.84 0.35 -0.73 0.00 0.00 179.01 178.29 1jfj h PHE 129 N 0.76 0.42 -0.05 0.92 3.57 -1.31 -0.81 116.94 120.46 1jfj h PHE 129 Ca 0.49 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1jfj h PHE 129 Cb 0.63 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1jfj h PHE 129 CO -0.05 1.00 0.03 1.25 -2.23 0.00 0.00 178.31 178.32 1jfj h LEU 130 N 0.18 0.06 -0.35 0.59 6.46 0.13 -1.08 115.31 121.31 1jfj h LEU 130 Ca -0.05 -0.07 -0.12 0.00 -0.12 0.00 0.00 57.88 57.52 1jfj h LEU 130 Cb 1.44 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 1jfj h LEU 130 CO 0.14 0.11 -0.26 -0.08 -0.62 0.00 0.00 178.44 177.73 1jfj h GLU 131 N 0.01 0.79 -0.94 1.25 4.57 -0.84 -2.99 114.58 116.43 1jfj h GLU 131 Ca 0.02 -0.38 0.16 0.00 -1.18 0.00 0.00 59.36 57.98 1jfj h GLU 131 Cb 0.06 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.57 1jfj h GLU 131 CO -0.00 1.01 0.60 0.74 -1.18 0.00 0.00 179.01 180.18 1jfj h PHE 132 N 0.57 0.88 -0.90 0.92 -1.00 -0.94 0.20 116.94 116.67 1jfj h PHE 132 Ca 0.07 0.03 0.21 0.00 2.81 0.00 0.00 57.97 61.08 1jfj h PHE 132 Cb 0.83 -0.27 -0.07 0.00 3.61 0.00 0.00 35.95 40.05 1jfj h PHE 132 CO 0.06 0.28 0.60 0.77 -1.61 0.00 0.00 178.31 178.41 1jfj h SER 133 N 0.71 0.39 0.00 2.17 0.02 -1.04 -3.51 113.55 112.30 1jfj h SER 133 Ca 0.49 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1jfj h SER 133 Cb 0.82 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1jfj h SER 133 CO -0.25 0.15 0.00 -0.11 -1.14 0.00 0.00 176.83 175.48