#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 0.08 -0.67 3.04 0.00 -2.05 1.09 119.26 120.75 1jfj h ALA 2 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1jfj h ALA 2 Cb 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1jfj h ALA 2 CO 0.00 -0.65 0.40 0.93 0.00 0.00 0.00 179.25 179.93 1jfj h GLU 3 N -0.04 0.76 -0.29 0.00 5.08 -1.99 0.36 114.58 118.45 1jfj h GLU 3 Ca 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1jfj h GLU 3 Cb 0.58 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1jfj h GLU 3 CO -0.91 0.50 0.12 0.00 -1.00 0.00 0.00 179.01 177.72 1jfj h ALA 4 N 1.31 1.66 -0.10 3.43 0.00 0.27 0.94 119.26 126.78 1jfj h ALA 4 Ca 0.28 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1jfj h ALA 4 Cb 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jfj h ALA 4 CO -0.13 0.27 -0.70 -0.07 0.00 0.00 0.00 179.25 178.62 1jfj h LEU 5 N 0.41 0.79 -0.33 0.00 3.38 0.25 0.33 115.31 120.15 1jfj h LEU 5 Ca 0.10 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1jfj h LEU 5 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jfj h LEU 5 CO -0.01 1.33 0.19 0.15 0.09 0.00 0.00 178.44 180.18 1jfj h PHE 6 N 0.32 0.44 -0.02 1.13 3.04 0.51 -1.19 116.94 121.17 1jfj h PHE 6 Ca -0.06 -0.01 -0.19 0.00 3.98 0.00 0.00 57.97 61.70 1jfj h PHE 6 Cb 1.35 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 1jfj h PHE 6 CO 0.10 0.34 -0.82 1.57 -2.02 0.00 0.00 178.31 177.49 1jfj h LYS 7 N 0.41 0.23 0.52 1.11 5.09 -0.89 -3.05 116.57 119.99 1jfj h LYS 7 Ca 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 60.65 60.61 1jfj h LYS 7 Cb 0.04 0.06 -0.02 0.00 0.10 0.00 0.00 32.23 32.41 1jfj h LYS 7 CO -0.02 0.93 -0.51 1.49 -2.09 0.00 0.00 179.45 179.25 1jfj h GLU 8 N 0.14 -0.99 -0.68 0.07 4.81 0.05 -1.11 114.58 116.88 1jfj h GLU 8 Ca -0.04 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 1jfj h GLU 8 Cb 1.42 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.98 1jfj h GLU 8 CO 0.13 -0.66 0.47 0.97 -0.73 0.00 0.00 179.01 179.19 1jfj h ILE 9 N -1.02 0.76 -0.21 2.32 -0.00 -1.30 -3.13 117.51 114.92 1jfj h ILE 9 Ca -0.06 -0.08 -0.69 0.00 -0.00 0.00 0.00 64.86 64.03 1jfj h ILE 9 Cb 0.88 0.50 -0.04 0.00 -0.00 0.00 0.00 36.82 38.17 1jfj h ILE 9 CO -0.06 0.04 2.81 -0.67 -0.00 0.00 0.00 178.15 180.28 1jfj n ASP 10 N -4.43 3.99 0.03 2.19 2.03 -0.42 -4.68 116.55 115.26 1jfj n ASP 10 Ca 0.13 -2.84 0.16 0.00 0.52 0.00 0.00 54.79 52.75 1jfj n ASP 10 Cb 0.58 -1.64 0.63 0.00 -0.72 0.00 0.00 41.12 39.98 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 4.45 0.83 -0.49 5.18 2.07 -1.69 -0.34 116.25 126.24 1jfj h VAL 11 Ca 0.52 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 68.09 1jfj h VAL 11 Cb 0.70 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1jfj h VAL 11 CO 1.78 0.02 0.08 0.78 0.02 0.00 0.00 177.57 180.25 1jfj h ASN 12 N 0.10 -0.05 -0.60 0.57 4.21 -1.89 -3.46 115.58 114.46 1jfj h ASN 12 Ca 0.21 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1jfj h ASN 12 Cb 0.70 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 1jfj h ASN 12 CO -0.02 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.73 1jfj n GLY 13 N -1.29 0.96 0.13 2.83 0.00 -0.14 -5.00 105.19 102.68 1jfj n GLY 13 Ca 0.05 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 1.06 1.96 0.00 1.61 5.68 -1.26 -5.04 116.55 120.56 1jfj n ASP 14 Ca 0.00 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 1jfj n ASP 14 Cb 0.34 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 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 1.57 0.97 3.42 6.12 0.00 -1.26 -5.14 105.19 110.88 1jfj n GLY 15 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.82 -0.83 0.22 4.61 0.00 -1.26 -4.29 121.76 118.40 1jfj s ALA 16 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1jfj s ALA 16 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1jfj s ALA 16 CO 0.00 -0.73 -0.20 0.08 0.00 0.00 0.00 175.76 174.91 1jfj s VAL 17 N -3.86 2.19 0.40 0.00 1.01 0.15 -4.84 120.40 115.45 1jfj s VAL 17 Ca 0.08 -2.18 0.04 0.00 0.00 0.00 0.00 61.98 59.92 1jfj s VAL 17 Cb 0.01 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1jfj s VAL 17 CO -0.06 -0.34 0.05 -0.94 0.00 0.00 0.00 175.10 173.81 1jfj s SER 18 N -3.09 3.15 0.21 3.32 1.04 -1.26 0.11 113.70 117.17 1jfj s SER 18 Ca 0.23 -1.50 -0.09 0.00 0.48 0.00 0.00 55.95 55.07 1jfj s SER 18 Cb -0.05 0.12 0.22 0.00 0.10 0.00 0.00 66.02 66.41 1jfj s SER 18 CO 0.11 -0.70 1.82 0.10 0.98 0.00 0.00 173.24 175.55 1jfj h TYR 19 N 1.81 0.74 -0.00 5.02 -0.00 -1.93 1.49 116.97 124.10 1jfj h TYR 19 Ca -0.41 0.02 -0.16 0.00 0.00 0.00 0.00 58.73 58.18 1jfj h TYR 19 Cb 1.26 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 37.74 1jfj h TYR 19 CO 1.02 0.38 -0.77 0.93 -0.00 0.00 0.00 178.16 179.73 1jfj h GLU 20 N 0.76 0.04 -0.03 0.10 5.08 -1.96 -1.51 114.58 117.05 1jfj h GLU 20 Ca 0.29 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1jfj h GLU 20 Cb 0.12 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1jfj h GLU 20 CO -0.15 0.78 -0.42 1.49 -1.00 0.00 0.00 179.01 179.71 1jfj h GLU 21 N 0.02 0.34 -0.34 2.33 4.81 -1.68 0.17 114.58 120.23 1jfj h GLU 21 Ca -0.01 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1jfj h GLU 21 Cb 1.35 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1jfj h GLU 21 CO 0.10 0.99 0.12 -0.24 -0.73 0.00 0.00 179.01 179.26 1jfj h VAL 22 N -0.19 1.20 -0.33 0.32 3.04 0.20 0.39 116.25 120.88 1jfj h VAL 22 Ca -0.04 -0.62 -0.11 0.00 -1.01 0.00 0.00 66.70 64.92 1jfj h VAL 22 Cb 1.11 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1jfj h VAL 22 CO 0.08 0.21 -0.24 0.07 -1.01 0.00 0.00 177.57 176.69 1jfj h LYS 23 N 0.40 0.65 0.00 4.17 5.09 -1.33 -0.95 116.57 124.60 1jfj h LYS 23 Ca 0.11 -0.25 -0.09 0.00 0.09 0.00 0.00 60.65 60.51 1jfj h LYS 23 Cb 0.21 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.50 1jfj h LYS 23 CO -0.01 0.83 -0.42 0.00 -2.09 0.00 0.00 179.45 177.76 1jfj h ALA 24 N 1.17 1.22 0.14 0.07 0.00 -0.22 0.56 119.26 122.22 1jfj h ALA 24 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1jfj h ALA 24 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jfj h ALA 24 CO 0.05 0.52 -0.07 0.35 0.00 0.00 0.00 179.25 180.11 1jfj h PHE 25 N 0.00 -0.18 0.39 0.00 3.57 0.40 -2.35 116.94 118.77 1jfj h PHE 25 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1jfj h PHE 25 Cb 0.78 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1jfj h PHE 25 CO 0.00 0.28 -0.19 0.28 -2.23 0.00 0.00 178.31 176.45 1jfj h VAL 26 N -0.83 0.38 -1.30 1.41 2.07 -1.17 -2.99 116.25 113.82 1jfj h VAL 26 Ca -0.02 -0.65 0.38 0.00 0.82 0.00 0.00 66.70 67.23 1jfj h VAL 26 Cb 0.54 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1jfj h VAL 26 CO 0.03 0.08 0.92 0.28 0.02 0.00 0.00 177.57 178.90 1jfj h SER 27 N -1.00 0.05 -0.63 0.57 0.02 -0.02 1.70 113.55 114.25 1jfj h SER 27 Ca -0.05 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1jfj h SER 27 Cb 0.53 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1jfj h SER 27 CO 0.09 -0.00 0.42 0.11 -1.14 0.00 0.00 176.83 176.30 1jfj h LYS 28 N 0.04 0.54 0.00 3.45 1.79 -1.26 -1.41 116.57 119.72 1jfj h LYS 28 Ca 0.63 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1jfj h LYS 28 Cb 2.44 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.97 1jfj h LYS 28 CO -0.05 0.36 -0.02 1.17 -1.08 0.00 0.00 179.45 179.83 1jfj n LYS 29 N -4.48 1.28 -2.41 3.15 3.00 0.52 -5.04 118.16 114.18 1jfj n LYS 29 Ca 0.09 -2.45 -0.05 0.00 -0.00 0.00 0.00 58.31 55.90 1jfj n LYS 29 Cb 0.28 -1.43 -0.01 0.00 0.00 0.00 0.00 35.03 33.87 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1jfj n ARG 30 N -1.33 0.26 -2.80 1.64 1.74 0.22 -5.06 116.66 111.34 1jfj n ARG 30 Ca 0.15 -0.99 -0.43 0.00 -0.77 0.00 0.00 57.85 55.81 1jfj n ARG 30 Cb 0.63 0.97 -0.04 0.00 -1.02 0.00 0.00 32.46 33.00 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfj s ALA 31 N -1.98 3.36 0.57 7.54 0.00 -1.26 -4.49 121.76 125.50 1jfj s ALA 31 Ca 0.10 -0.52 0.45 0.00 0.00 0.00 0.00 51.96 51.99 1jfj s ALA 31 Cb -0.00 -3.58 1.53 0.00 0.00 0.00 0.00 23.12 21.07 1jfj s ALA 31 CO 0.07 -1.74 1.50 0.97 0.00 0.00 0.00 175.76 176.57 1jfj h ILE 32 N 5.90 0.00 -0.27 0.00 2.10 -1.92 2.01 117.51 125.33 1jfj h ILE 32 Ca -0.23 0.00 0.08 0.00 1.08 0.00 0.00 64.86 65.78 1jfj h ILE 32 Cb 1.08 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.80 1jfj h ILE 32 CO 1.00 0.00 0.59 0.11 -1.08 0.00 0.00 178.15 178.77 1jfj h LYS 33 N 0.00 0.00 -0.46 2.19 1.57 -1.96 1.24 116.57 119.14 1jfj h LYS 33 Ca 0.83 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.59 1jfj h LYS 33 Cb 3.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 35.87 1jfj h LYS 33 CO -0.01 0.00 0.20 -0.97 -0.57 0.00 0.00 179.45 178.10 1jfj h ASN 34 N 0.00 0.59 -1.39 0.86 -0.73 0.29 -2.27 115.58 112.93 1jfj h ASN 34 Ca 0.13 -0.06 0.47 0.00 1.87 0.00 0.00 56.30 58.70 1jfj h ASN 34 Cb 1.31 -0.15 -0.12 0.00 0.27 0.00 0.00 38.32 39.62 1jfj h ASN 34 CO -0.00 0.53 0.91 -1.84 -0.37 0.00 0.00 177.43 176.66 1jfj n GLU 35 N -4.37 -0.03 0.35 6.67 0.28 0.43 0.11 120.64 124.08 1jfj n GLU 35 Ca 0.04 1.16 -0.14 0.00 -0.16 0.00 0.00 57.16 58.06 1jfj n GLU 35 Cb 0.14 -2.34 -0.07 0.00 1.43 0.00 0.00 31.44 30.60 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 -0.89 0.70 3.44 4.15 -1.58 -0.33 115.11 120.60 1jfj h GLN 36 Ca 0.84 0.06 -0.03 0.00 0.77 0.00 0.00 58.65 60.29 1jfj h GLN 36 Cb 2.82 0.20 0.01 0.00 0.21 0.00 0.00 27.48 30.72 1jfj h GLN 36 CO -0.38 -0.59 -0.34 -0.07 -1.93 0.00 0.00 178.83 175.52 1jfj h LEU 37 N -1.17 -0.80 -0.98 -2.39 -0.00 -0.14 -0.89 115.31 108.95 1jfj h LEU 37 Ca -0.09 0.03 0.25 0.00 -0.00 0.00 0.00 57.88 58.06 1jfj h LEU 37 Cb 0.71 0.21 -0.18 0.00 -0.00 0.00 0.00 40.66 41.39 1jfj h LEU 37 CO 0.16 -0.46 -0.05 0.25 -0.00 0.00 0.00 178.44 178.33 1jfj h LEU 38 N -1.16 -0.59 -0.51 1.67 6.46 0.64 1.41 115.31 123.23 1jfj h LEU 38 Ca -0.10 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1jfj h LEU 38 Cb 0.72 0.52 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1jfj h LEU 38 CO 0.16 -0.34 0.31 -0.61 -0.62 0.00 0.00 178.44 177.34 1jfj h GLN 39 N 0.01 0.69 0.44 1.25 4.15 -0.93 0.35 115.11 121.07 1jfj h GLN 39 Ca 0.56 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.90 1jfj h GLN 39 Cb 1.07 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1jfj h GLN 39 CO -0.94 0.50 -0.48 1.25 -1.93 0.00 0.00 178.83 177.23 1jfj h LEU 40 N 0.68 -1.33 -0.17 -2.39 5.85 0.33 0.06 115.31 118.33 1jfj h LEU 40 Ca 0.18 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1jfj h LEU 40 Cb -0.02 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1jfj h LEU 40 CO -0.03 -0.62 -0.12 -0.29 -0.34 0.00 0.00 178.44 177.03 1jfj h ILE 41 N -0.93 0.65 -0.74 4.05 6.09 -0.78 0.49 117.51 126.34 1jfj h ILE 41 Ca -0.06 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.51 1jfj h ILE 41 Cb 0.82 0.65 -0.11 0.00 0.47 0.00 0.00 36.82 38.65 1jfj h ILE 41 CO -0.08 0.00 -0.56 0.15 -3.07 0.00 0.00 178.15 174.59 1jfj h PHE 42 N -0.12 -1.76 -0.17 2.19 3.04 0.07 1.07 116.94 121.26 1jfj h PHE 42 Ca 0.10 0.11 -0.00 0.00 3.98 0.00 0.00 57.97 62.16 1jfj h PHE 42 Cb 0.27 0.86 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1jfj h PHE 42 CO -0.26 -0.42 0.09 1.57 -2.02 0.00 0.00 178.31 177.26 1jfj h LYS 43 N -0.18 0.23 -0.13 1.11 5.09 -0.60 0.32 116.57 122.41 1jfj h LYS 43 Ca 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.85 1jfj h LYS 43 Cb 0.50 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 1jfj h LYS 43 CO -0.79 0.18 0.08 1.03 -2.09 0.00 0.00 179.45 177.85 1jfj h SER 44 N 0.23 0.16 0.32 7.07 0.87 0.32 -3.23 113.55 119.30 1jfj h SER 44 Ca 0.06 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1jfj h SER 44 Cb 0.02 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1jfj h SER 44 CO -0.01 0.19 -0.15 0.40 -0.53 0.00 0.00 176.83 176.73 1jfj h ILE 45 N 0.13 0.42 -0.04 2.23 2.04 0.63 -3.42 117.51 119.49 1jfj h ILE 45 Ca 0.05 -0.78 -0.47 0.00 1.00 0.00 0.00 64.86 64.66 1jfj h ILE 45 Cb 0.06 0.68 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 1jfj h ILE 45 CO -0.01 0.10 1.80 -0.67 0.00 0.00 0.00 178.15 179.37 1jfj n ASP 46 N -5.07 0.00 -0.06 1.72 -0.08 0.11 -4.72 116.55 108.44 1jfj n ASP 46 Ca -0.08 0.01 -0.10 0.00 -1.51 0.00 0.00 54.79 53.11 1jfj n ASP 46 Cb 0.25 -0.86 -0.09 0.00 2.34 0.00 0.00 41.12 42.75 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 12.00 0.00 0.66 -1.67 0.00 -1.83 -3.37 119.26 125.06 1jfj h ALA 47 Ca -0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1jfj h ALA 47 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1jfj h ALA 47 CO 1.43 0.01 -0.47 0.38 0.00 0.00 0.00 179.25 180.59 1jfj h ASP 48 N -1.00 -1.23 0.00 0.00 3.04 -1.97 -3.47 116.42 111.78 1jfj h ASP 48 Ca -0.00 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1jfj h ASP 48 Cb 0.71 0.38 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1jfj h ASP 48 CO -0.00 -0.70 0.00 0.61 -2.04 0.00 0.00 179.24 177.11 1jfj n GLY 49 N -1.59 1.65 0.09 7.15 0.00 -1.26 -4.98 105.19 106.25 1jfj n GLY 49 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.36 -0.99 1.61 0.23 -1.26 -4.80 115.26 110.41 1jfj n ASN 50 Ca 0.00 0.64 -0.13 0.00 -0.53 0.00 0.00 54.58 54.56 1jfj n ASN 50 Cb 0.00 -0.70 -0.06 0.00 -2.08 0.00 0.00 39.78 36.95 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 51 N -0.85 1.32 1.70 4.83 0.00 -1.26 -4.94 105.19 106.00 1jfj n GLY 51 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1jfj n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jfj n GLU 52 N -1.96 0.36 -3.09 1.61 1.02 -1.26 -2.97 120.64 114.36 1jfj n GLU 52 Ca -0.13 -1.76 -0.07 0.00 -0.02 0.00 0.00 57.16 55.18 1jfj n GLU 52 Cb 0.51 1.30 0.02 0.00 -0.02 0.00 0.00 31.44 33.25 1jfj n GLU 52 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1jfj n ILE 53 N -0.37 0.00 -4.48 -3.67 -5.35 0.30 -4.90 119.36 100.88 1jfj n ILE 53 Ca 0.02 -0.80 -0.25 0.00 -0.27 0.00 0.00 62.75 61.45 1jfj n ILE 53 Cb 0.32 0.74 -0.08 0.00 -1.74 0.00 0.00 39.64 38.88 1jfj n ILE 53 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1jfj s ASP 54 N -2.54 2.66 0.15 7.28 1.47 -1.26 0.29 116.67 124.72 1jfj s ASP 54 Ca 0.13 -1.71 -0.22 0.00 1.18 0.00 0.00 52.55 51.93 1jfj s ASP 54 Cb -0.03 0.55 0.04 0.00 -0.34 0.00 0.00 42.92 43.14 1jfj s ASP 54 CO 0.10 -0.98 1.63 1.56 0.68 0.00 0.00 175.17 178.16 1jfj h GLN 55 N 1.82 -0.22 0.85 2.11 4.20 -1.96 1.28 115.11 123.18 1jfj h GLN 55 Ca -0.33 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 1jfj h GLN 55 Cb 1.27 0.05 0.01 0.00 0.30 0.00 0.00 27.48 29.11 1jfj h GLN 55 CO 0.52 -0.15 -0.41 -0.91 -0.67 0.00 0.00 178.83 177.22 1jfj h ASN 56 N -0.23 -0.97 -1.02 1.46 4.21 -1.96 0.56 115.58 117.62 1jfj h ASN 56 Ca 0.15 0.03 0.28 0.00 1.21 0.00 0.00 56.30 57.97 1jfj h ASN 56 Cb 0.46 0.25 -0.13 0.00 -1.12 0.00 0.00 38.32 37.79 1jfj h ASN 56 CO -0.42 -0.63 0.61 -0.08 -1.29 0.00 0.00 177.43 175.63 1jfj h GLU 57 N -1.27 0.44 -0.27 0.81 4.81 -1.88 0.35 114.58 117.56 1jfj h GLU 57 Ca -0.12 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1jfj h GLU 57 Cb 0.88 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1jfj h GLU 57 CO 0.19 0.29 -0.03 0.35 -0.73 0.00 0.00 179.01 179.08 1jfj h PHE 58 N 0.45 0.56 -0.95 0.92 3.04 0.19 0.29 116.94 121.44 1jfj h PHE 58 Ca 0.67 -0.11 0.08 0.00 3.98 0.00 0.00 57.97 62.60 1jfj h PHE 58 Cb 1.47 -0.14 -0.07 0.00 2.56 0.00 0.00 35.95 39.77 1jfj h PHE 58 CO -0.01 0.68 0.62 0.00 -2.02 0.00 0.00 178.31 177.58 1jfj h ALA 59 N 0.80 1.50 -0.03 2.41 0.00 0.20 0.12 119.26 124.26 1jfj h ALA 59 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1jfj h ALA 59 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jfj h ALA 59 CO 0.02 0.33 -0.89 0.87 0.00 0.00 0.00 179.25 179.58 1jfj h LYS 60 N 1.05 0.46 -0.05 0.00 1.57 -0.83 -3.09 116.57 115.67 1jfj h LYS 60 Ca 0.43 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1jfj h LYS 60 Cb 0.28 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1jfj h LYS 60 CO -0.18 1.11 -0.07 0.35 -0.57 0.00 0.00 179.45 180.09 1jfj h PHE 61 N 0.28 0.07 -1.93 -1.35 3.04 0.13 -2.60 116.94 114.59 1jfj h PHE 61 Ca -0.07 -0.00 0.56 0.00 3.98 0.00 0.00 57.97 62.43 1jfj h PHE 61 Cb 1.52 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.93 1jfj h PHE 61 CO 0.06 0.14 1.41 2.48 -2.02 0.00 0.00 178.31 180.38 1jfj n TYR 62 N -4.42 0.00 -2.45 0.41 4.11 0.24 -4.83 117.16 110.22 1jfj n TYR 62 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.83 1jfj n TYR 62 Cb 0.17 -0.48 -0.04 0.00 -0.00 0.00 0.00 39.34 38.99 1jfj n TYR 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1jfj n GLY 63 N -1.91 -5.11 0.44 -7.48 0.00 -0.98 -4.87 105.19 85.29 1jfj n GLY 63 Ca 0.43 1.49 -0.13 0.00 0.00 0.00 0.00 46.02 47.81 1jfj n GLY 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jfj h SER 64 N 3.66 -1.72 -0.45 1.61 0.87 -1.88 -3.37 113.55 112.27 1jfj h SER 64 Ca -0.48 0.23 -0.28 0.00 -1.23 0.00 0.00 61.79 60.03 1jfj h SER 64 Cb 1.08 0.71 -0.19 0.00 -0.44 0.00 0.00 62.40 63.56 1jfj h SER 64 CO 0.01 -0.41 -0.60 0.00 -0.53 0.00 0.00 176.83 175.29 1jfj n ILE 65 N -5.40 -0.14 -0.40 2.23 0.13 -1.26 -5.02 119.36 109.50 1jfj n ILE 65 Ca -0.03 -1.92 -0.09 0.00 -1.10 0.00 0.00 62.75 59.60 1jfj n ILE 65 Cb 0.35 0.83 -0.08 0.00 -0.84 0.00 0.00 39.64 39.91 1jfj n ILE 65 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 1jfj n GLN 66 N 1.72 -0.39 -0.22 9.51 -0.06 -1.26 -4.88 117.38 121.79 1jfj n GLN 66 Ca 0.12 1.45 0.00 0.00 -2.00 0.00 0.00 57.00 56.57 1jfj n GLN 66 Cb 0.61 -2.13 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jfj n GLY 67 N -1.27 1.09 3.81 1.69 0.00 -1.26 -5.18 105.19 104.08 1jfj n GLY 67 Ca 0.03 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 0.64 2.29 0.61 1.61 -0.21 -1.26 -5.14 119.66 118.20 1jfj s GLN 68 Ca 0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 55.36 53.51 1jfj s GLN 68 Cb 0.00 -2.06 0.05 0.00 1.00 0.00 0.00 33.01 32.00 1jfj s GLN 68 CO 0.00 -0.28 0.86 0.34 -2.12 0.00 0.00 175.29 174.09 1jfj s ASP 69 N -4.05 5.06 0.12 5.90 -1.08 -1.26 -4.98 116.67 116.38 1jfj s ASP 69 Ca 0.38 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 1jfj s ASP 69 Cb 0.01 -0.83 0.00 0.00 -1.46 0.00 0.00 42.92 40.63 1jfj s ASP 69 CO 0.22 -1.33 0.00 -0.11 0.52 0.00 0.00 175.17 174.47 1jfj n LEU 70 N -2.54 -1.05 -0.27 -1.34 0.00 -1.26 -4.96 117.00 105.58 1jfj n LEU 70 Ca 0.09 0.34 0.04 0.00 0.00 0.00 0.00 56.01 56.47 1jfj n LEU 70 Cb 0.60 1.22 0.12 0.00 0.00 0.00 0.00 43.42 45.36 1jfj n LEU 70 CO 0.46 -0.06 0.75 0.28 0.00 0.00 0.00 177.39 178.82 1jfj h SER 71 N 0.00 -0.60 -1.66 1.96 0.02 -1.99 1.40 113.55 112.67 1jfj h SER 71 Ca 0.00 0.22 0.48 0.00 -0.84 0.00 0.00 61.79 61.66 1jfj h SER 71 Cb 0.00 0.44 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1jfj h SER 71 CO 0.00 -0.24 1.21 -2.24 -1.14 0.00 0.00 176.83 174.42 1jfj h ASP 72 N 0.03 0.00 -0.01 3.07 2.03 -1.98 1.59 116.42 121.15 1jfj h ASP 72 Ca 0.40 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.64 1jfj h ASP 72 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1jfj h ASP 72 CO -0.77 0.00 -0.21 -0.78 -1.03 0.00 0.00 179.24 176.45 1jfj h ASP 73 N 0.00 0.20 0.64 4.15 3.58 0.15 -1.82 116.42 123.32 1jfj h ASP 73 Ca 0.79 -0.74 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 1jfj h ASP 73 Cb 3.20 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 44.19 1jfj h ASP 73 CO -0.01 0.92 -0.36 0.11 -2.88 0.00 0.00 179.24 177.02 1jfj h LYS 74 N -0.49 -0.90 -0.50 0.28 1.79 0.23 0.26 116.57 117.23 1jfj h LYS 74 Ca -0.02 0.06 0.15 0.00 -2.18 0.00 0.00 60.65 58.65 1jfj h LYS 74 Cb 0.94 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1jfj h LYS 74 CO 0.04 -0.60 0.37 -0.84 -1.08 0.00 0.00 179.45 177.34 1jfj h ILE 75 N -0.93 0.72 -0.22 1.86 3.07 -0.61 0.15 117.51 121.55 1jfj h ILE 75 Ca -0.08 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 66.16 1jfj h ILE 75 Cb 0.74 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 1jfj h ILE 75 CO 0.10 0.00 -0.51 1.23 -1.05 0.00 0.00 178.15 177.92 1jfj h GLY 76 N 0.00 0.81 1.05 0.16 0.00 -0.34 0.32 103.07 105.08 1jfj h GLY 76 Ca 0.24 -0.99 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 1jfj h GLY 76 CO -0.00 0.89 -0.09 -2.00 0.00 0.00 0.00 176.54 175.34 1jfj h LEU 77 N 0.46 0.95 -0.67 3.11 7.12 0.20 0.57 115.31 127.05 1jfj h LEU 77 Ca -0.00 -0.35 -0.14 0.00 0.13 0.00 0.00 57.88 57.52 1jfj h LEU 77 Cb 1.12 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 1jfj h LEU 77 CO 0.11 1.07 -0.65 0.07 -0.13 0.00 0.00 178.44 178.92 1jfj h LYS 78 N 0.81 0.06 -0.05 1.25 5.09 -0.83 -0.69 116.57 122.21 1jfj h LYS 78 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 60.65 60.82 1jfj h LYS 78 Cb 0.64 0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.98 1jfj h LYS 78 CO 0.04 0.69 -0.01 0.28 -2.09 0.00 0.00 179.45 178.36 1jfj h VAL 79 N 0.04 1.30 0.04 0.07 2.07 0.03 -0.19 116.25 119.61 1jfj h VAL 79 Ca -0.01 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1jfj h VAL 79 Cb 1.16 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1jfj h VAL 79 CO 0.09 0.25 -0.02 -0.07 0.02 0.00 0.00 177.57 177.84 1jfj h LEU 80 N -0.26 -0.05 -0.90 2.57 4.07 -0.85 0.78 115.31 120.68 1jfj h LEU 80 Ca 0.01 -0.14 0.13 0.00 0.08 0.00 0.00 57.88 57.96 1jfj h LEU 80 Cb 0.40 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.07 1jfj h LEU 80 CO 0.00 0.11 0.51 1.88 -1.08 0.00 0.00 178.44 179.87 1jfj h TYR 81 N -0.20 0.91 -0.14 1.13 -1.99 -1.12 0.46 116.97 116.02 1jfj h TYR 81 Ca -0.01 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 1jfj h TYR 81 Cb 0.18 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 1jfj h TYR 81 CO -0.02 0.29 -0.46 -0.22 -0.00 0.00 0.00 178.16 177.75 1jfj h LYS 82 N 0.76 0.33 -0.06 4.88 3.11 -0.72 -2.55 116.57 122.33 1jfj h LYS 82 Ca 0.47 -0.18 -0.11 0.00 -2.81 0.00 0.00 60.65 58.02 1jfj h LYS 82 Cb 0.58 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1jfj h LYS 82 CO -0.32 0.73 -0.48 1.25 -2.81 0.00 0.00 179.45 177.81 1jfj h LEU 83 N 0.27 0.16 0.50 5.20 5.85 0.18 -3.18 115.31 124.29 1jfj h LEU 83 Ca 0.02 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1jfj h LEU 83 Cb 0.91 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1jfj h LEU 83 CO 0.08 0.62 -0.29 -0.03 -0.34 0.00 0.00 178.44 178.48 1jfj h MET 84 N 0.12 -0.71 -6.16 1.25 4.05 0.17 -3.35 114.93 110.30 1jfj h MET 84 Ca 0.00 0.05 -0.53 0.00 -0.28 0.00 0.00 59.70 58.94 1jfj h MET 84 Cb 0.90 0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 31.79 1jfj h MET 84 CO 0.07 -0.48 1.22 0.16 0.23 0.00 0.00 176.91 178.11 1jfj s ASP 85 N -4.55 6.06 0.43 1.39 -4.77 -1.15 -4.79 116.67 109.28 1jfj s ASP 85 Ca -0.17 -0.73 0.18 0.00 -3.30 0.00 0.00 52.55 48.54 1jfj s ASP 85 Cb 0.04 -2.56 0.96 0.00 -1.09 0.00 0.00 42.92 40.28 1jfj s ASP 85 CO 0.63 -1.89 1.90 0.58 0.70 0.00 0.00 175.17 177.09 1jfj h VAL 86 N 6.54 0.96 -0.81 2.11 2.07 -1.80 -2.65 116.25 122.67 1jfj h VAL 86 Ca -0.07 -1.02 0.17 0.00 0.82 0.00 0.00 66.70 66.59 1jfj h VAL 86 Cb 1.05 1.59 -0.11 0.00 -1.52 0.00 0.00 31.29 32.30 1jfj h VAL 86 CO 1.32 0.27 0.33 -2.24 0.02 0.00 0.00 177.57 177.27 1jfj h ASP 87 N 0.00 0.30 -0.55 0.57 2.03 -1.93 -3.47 116.42 113.36 1jfj h ASP 87 Ca -0.00 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1jfj h ASP 87 Cb 0.57 0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1jfj h ASP 87 CO 0.04 0.07 0.00 0.61 -1.03 0.00 0.00 179.24 178.93 1jfj n GLY 88 N -1.33 -0.05 0.46 7.15 0.00 -1.00 -5.08 105.19 105.34 1jfj n GLY 88 Ca 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.00 0.00 1.61 5.68 -1.26 -5.01 116.55 117.57 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 0.00 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 -1.20 0.77 3.20 6.12 0.00 -1.26 -5.06 105.19 107.76 1jfj n GLY 90 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.54 0.91 0.31 1.61 -2.85 -1.26 -3.27 119.74 114.65 1jfj s LYS 91 Ca 0.00 -1.06 0.03 0.00 -1.00 0.00 0.00 55.97 53.94 1jfj s LYS 91 Cb 0.00 -0.92 -0.04 0.00 -2.06 0.00 0.00 37.83 34.81 1jfj s LYS 91 CO 0.00 0.20 0.13 -0.51 0.10 0.00 0.00 175.35 175.27 1jfj s LEU 92 N -1.94 1.76 0.00 2.77 1.02 -0.08 -4.96 118.68 117.25 1jfj s LEU 92 Ca 0.02 -1.52 0.00 0.00 0.02 0.00 0.00 54.13 52.65 1jfj s LEU 92 Cb -0.09 0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.18 1jfj s LEU 92 CO 0.03 -0.83 0.00 0.35 0.02 0.00 0.00 176.35 175.92 1jfj n THR 93 N -0.62 0.00 0.01 5.49 -2.24 -1.26 0.06 114.28 115.72 1jfj n THR 93 Ca -0.01 -2.48 -0.08 0.00 -2.27 0.00 0.00 64.05 59.22 1jfj n THR 93 Cb 0.65 0.49 0.08 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.53 -0.06 -0.78 3.64 -1.91 -1.20 116.57 116.79 1jfj h LYS 94 Ca -0.44 -0.31 -0.16 0.00 -1.27 0.00 0.00 60.65 58.48 1jfj h LYS 94 Cb 1.32 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1jfj h LYS 94 CO 0.72 0.91 -0.58 0.93 -2.27 0.00 0.00 179.45 179.16 1jfj h GLU 95 N 0.42 0.49 0.36 1.90 5.08 -1.96 -0.58 114.58 120.28 1jfj h GLU 95 Ca 0.02 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1jfj h GLU 95 Cb 1.02 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jfj h GLU 95 CO 0.09 1.09 -0.21 1.49 -1.00 0.00 0.00 179.01 180.47 1jfj h GLU 96 N 0.05 -0.52 0.95 2.33 4.81 -1.94 0.62 114.58 120.88 1jfj h GLU 96 Ca -0.06 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1jfj h GLU 96 Cb 1.25 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.75 1jfj h GLU 96 CO 0.12 -0.35 -0.46 0.28 -0.73 0.00 0.00 179.01 177.87 1jfj h VAL 97 N -0.54 0.00 -1.25 0.32 2.07 -1.31 0.51 116.25 116.06 1jfj h VAL 97 Ca -0.04 -0.06 0.40 0.00 0.82 0.00 0.00 66.70 67.81 1jfj h VAL 97 Cb 0.44 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.09 1jfj h VAL 97 CO 0.05 0.00 0.80 0.74 0.02 0.00 0.00 177.57 179.18 1jfj h THR 98 N -1.34 0.20 -0.14 2.57 2.02 -1.08 1.30 112.91 116.44 1jfj h THR 98 Ca -0.13 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 66.83 1jfj h THR 98 Cb 0.98 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1jfj h THR 98 CO 0.22 0.03 -0.58 -1.28 0.37 0.00 0.00 175.52 174.27 1jfj h SER 99 N 0.15 0.75 0.18 4.18 0.87 -0.38 0.19 113.55 119.49 1jfj h SER 99 Ca 0.77 -0.62 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1jfj h SER 99 Cb 2.33 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 64.07 1jfj h SER 99 CO -0.41 1.25 -0.09 0.15 -0.53 0.00 0.00 176.83 177.20 1jfj h PHE 100 N 0.30 -0.22 0.00 2.24 3.57 0.37 -2.86 116.94 120.34 1jfj h PHE 100 Ca -0.03 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 1jfj h PHE 100 Cb 1.21 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1jfj h PHE 100 CO 0.10 -0.06 -0.53 0.74 -2.23 0.00 0.00 178.31 176.33 1jfj h PHE 101 N -0.33 0.00 -1.53 0.41 -1.00 -0.57 -3.02 116.94 110.89 1jfj h PHE 101 Ca -0.02 0.00 0.48 0.00 2.81 0.00 0.00 57.97 61.24 1jfj h PHE 101 Cb 0.26 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.71 1jfj h PHE 101 CO -0.04 0.53 1.04 0.87 -1.61 0.00 0.00 178.31 179.10 1jfj h LYS 102 N 0.00 0.03 -0.96 1.51 1.57 -0.37 1.42 116.57 119.77 1jfj h LYS 102 Ca -0.01 -0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.05 1jfj h LYS 102 Cb 0.94 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.10 1jfj h LYS 102 CO 0.07 0.02 0.47 0.87 -0.57 0.00 0.00 179.45 180.31 1jfj h LYS 103 N 0.04 0.33 0.16 3.15 1.79 -1.60 0.83 116.57 121.27 1jfj h LYS 103 Ca 0.86 -0.02 -0.36 0.00 -2.18 0.00 0.00 60.65 58.95 1jfj h LYS 103 Cb 3.00 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 33.57 1jfj h LYS 103 CO -0.28 0.22 -1.84 0.45 -1.08 0.00 0.00 179.45 176.91 1jfj h HIS 104 N 0.34 0.63 0.00 -1.35 3.86 0.17 -3.48 115.15 115.31 1jfj h HIS 104 Ca 0.66 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1jfj h HIS 104 Cb 1.40 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.85 1jfj h HIS 104 CO -0.08 1.72 0.00 0.41 0.86 0.00 0.00 177.93 180.84 1jfj n GLY 105 N 1.91 0.92 3.52 2.45 0.00 0.28 -4.99 105.19 109.29 1jfj n GLY 105 Ca -0.28 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.38 3.95 -0.32 -0.61 0.13 -1.26 -4.76 119.36 114.12 1jfj n ILE 106 Ca 0.00 -4.11 0.35 0.00 -1.10 0.00 0.00 62.75 57.89 1jfj n ILE 106 Cb 0.07 -2.37 0.75 0.00 -0.84 0.00 0.00 39.64 37.24 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 7.44 0.00 -0.81 9.51 4.11 -1.94 0.51 114.58 133.40 1jfj h GLU 107 Ca 0.44 0.00 0.15 0.00 0.07 0.00 0.00 59.36 60.03 1jfj h GLU 107 Cb 0.86 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.96 1jfj h GLU 107 CO 1.46 0.00 -0.26 -0.22 0.07 0.00 0.00 179.01 180.06 1jfj h LYS 108 N 0.00 -0.03 -0.88 1.06 1.63 -2.00 1.48 116.57 117.83 1jfj h LYS 108 Ca 0.56 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.40 1jfj h LYS 108 Cb 2.27 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 33.86 1jfj h LYS 108 CO -0.01 -0.02 0.58 -0.24 -3.45 0.00 0.00 179.45 176.31 1jfj h VAL 109 N -0.03 1.12 -0.91 2.00 3.04 -1.30 0.68 116.25 120.84 1jfj h VAL 109 Ca 0.36 -0.37 0.09 0.00 -1.01 0.00 0.00 66.70 65.77 1jfj h VAL 109 Cb 0.60 -0.04 -0.07 0.00 -2.01 0.00 0.00 31.29 29.76 1jfj h VAL 109 CO -0.84 0.20 0.56 0.00 -1.01 0.00 0.00 177.57 176.47 1jfj h ALA 110 N 1.50 1.31 -0.16 3.17 0.00 0.19 0.20 119.26 125.47 1jfj h ALA 110 Ca 0.36 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 1jfj h ALA 110 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1jfj h ALA 110 CO -0.11 0.23 -0.71 1.49 0.00 0.00 0.00 179.25 180.15 1jfj h GLU 111 N 0.95 0.68 -0.45 0.00 4.81 0.56 -0.87 114.58 120.26 1jfj h GLU 111 Ca 0.43 -0.53 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1jfj h GLU 111 Cb 0.32 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1jfj h GLU 111 CO -0.22 1.14 0.29 1.96 -0.73 0.00 0.00 179.01 181.45 1jfj h GLN 112 N 0.48 0.57 -0.32 1.92 4.20 0.44 -0.95 115.11 121.45 1jfj h GLN 112 Ca -0.03 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 1jfj h GLN 112 Cb 1.32 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1jfj h GLN 112 CO 0.14 0.38 -0.27 -0.24 -0.67 0.00 0.00 178.83 178.17 1jfj h VAL 113 N 0.59 1.29 -0.53 -0.54 3.04 -0.67 0.44 116.25 119.87 1jfj h VAL 113 Ca 0.17 -1.43 0.10 0.00 -1.01 0.00 0.00 66.70 64.54 1jfj h VAL 113 Cb -0.04 1.49 -0.09 0.00 -2.01 0.00 0.00 31.29 30.64 1jfj h VAL 113 CO -0.05 0.46 -0.00 -0.03 -1.01 0.00 0.00 177.57 176.94 1jfj h MET 114 N 0.52 0.11 -0.01 4.17 4.05 -0.71 0.63 114.93 123.69 1jfj h MET 114 Ca 0.06 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.30 1jfj h MET 114 Cb 0.84 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 1jfj h MET 114 CO 0.07 0.07 -0.78 -0.22 0.23 0.00 0.00 176.91 176.28 1jfj h LYS 115 N 0.11 0.09 -0.44 0.39 3.64 -1.13 -3.20 116.57 116.03 1jfj h LYS 115 Ca 0.27 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1jfj h LYS 115 Cb 0.41 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 1jfj h LYS 115 CO -0.45 0.82 -0.10 0.00 -2.27 0.00 0.00 179.45 177.45 1jfj h ALA 116 N 1.15 0.30 -0.68 5.00 0.00 0.13 -3.13 119.26 122.04 1jfj h ALA 116 Ca -0.02 0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.47 1jfj h ALA 116 Cb 1.37 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 1jfj h ALA 116 CO 0.11 -0.44 1.96 -0.25 0.00 0.00 0.00 179.25 180.63 1jfj n ASP 117 N -5.32 4.31 0.09 0.00 8.00 -0.47 -4.65 116.55 118.52 1jfj n ASP 117 Ca 0.03 -2.85 -0.17 0.00 0.71 0.00 0.00 54.79 52.51 1jfj n ASP 117 Cb 0.24 -1.73 -0.11 0.00 -0.02 0.00 0.00 41.12 39.51 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 8.06 0.14 -0.57 2.24 0.00 -1.80 -3.28 119.26 124.05 1jfj h ALA 118 Ca 0.39 -0.80 0.11 0.00 0.00 0.00 0.00 54.91 54.62 1jfj h ALA 118 Cb 0.87 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1jfj h ALA 118 CO 1.44 0.83 -0.23 -0.91 0.00 0.00 0.00 179.25 180.38 1jfj h ASN 119 N 0.18 -0.80 0.00 0.00 4.21 -1.91 -3.46 115.58 113.80 1jfj h ASN 119 Ca -0.14 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1jfj h ASN 119 Cb 1.84 0.45 0.00 0.00 -1.12 0.00 0.00 38.32 39.49 1jfj h ASN 119 CO 0.20 -0.25 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 1jfj n GLY 120 N -1.43 0.82 1.54 2.83 0.00 -1.24 -5.07 105.19 102.64 1jfj n GLY 120 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.26 0.00 1.61 5.68 -1.26 -5.07 116.55 117.76 1jfj n ASP 121 Ca 0.00 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1jfj n ASP 121 Cb 0.00 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 122 N 2.35 1.44 3.21 6.12 0.00 -1.26 -5.12 105.19 111.93 1jfj n GLY 122 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1jfj n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jfj s TYR 123 N -2.00 0.12 0.19 1.61 2.02 -1.26 -3.59 117.35 114.43 1jfj s TYR 123 Ca 0.00 -0.53 -0.14 0.00 -0.37 0.00 0.00 57.07 56.03 1jfj s TYR 123 Cb 0.00 -0.03 0.01 0.00 -0.40 0.00 0.00 41.96 41.54 1jfj s TYR 123 CO 0.00 -0.55 0.44 -1.50 -1.57 0.00 0.00 175.55 172.36 1jfj s ILE 124 N -3.80 0.04 0.21 2.71 2.07 0.11 -4.79 121.20 117.75 1jfj s ILE 124 Ca 0.04 -1.04 0.04 0.00 -1.41 0.00 0.00 60.65 58.28 1jfj s ILE 124 Cb 0.04 -1.72 -0.02 0.00 0.13 0.00 0.00 42.46 40.90 1jfj s ILE 124 CO -0.11 -0.18 0.16 0.35 -1.91 0.00 0.00 174.94 173.25 1jfj n THR 125 N -0.30 0.00 0.02 4.00 -2.24 -1.26 -0.90 114.28 113.60 1jfj n THR 125 Ca -0.08 -1.48 -0.19 0.00 -2.27 0.00 0.00 64.05 60.03 1jfj n THR 125 Cb 0.63 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.46 1jfj n THR 125 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1jfj h LEU 126 N 0.00 0.93 -0.37 3.22 8.10 -1.96 -2.14 115.31 123.08 1jfj h LEU 126 Ca -0.15 -0.70 -0.06 0.00 0.11 0.00 0.00 57.88 57.08 1jfj h LEU 126 Cb 0.73 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 1jfj h LEU 126 CO 0.23 1.50 -0.01 -0.33 -4.11 0.00 0.00 178.44 175.71 1jfj h GLU 127 N 0.44 0.67 -0.16 0.17 5.08 -1.97 -1.15 114.58 117.66 1jfj h GLU 127 Ca -0.11 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1jfj h GLU 127 Cb 1.61 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1jfj h GLU 127 CO 0.19 0.78 -0.12 1.49 -1.00 0.00 0.00 179.01 180.35 1jfj h GLU 128 N 0.49 0.25 0.35 2.33 4.81 -1.96 -0.35 114.58 120.49 1jfj h GLU 128 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1jfj h GLU 128 Cb 0.48 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1jfj h GLU 128 CO 0.02 0.38 -0.17 0.35 -0.73 0.00 0.00 179.01 178.86 1jfj h PHE 129 N 0.24 -0.43 0.62 0.92 3.57 -1.05 -0.37 116.94 120.45 1jfj h PHE 129 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1jfj h PHE 129 Cb 0.36 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1jfj h PHE 129 CO 0.01 -0.10 -0.50 1.25 -2.23 0.00 0.00 178.31 176.74 1jfj h LEU 130 N -0.93 -1.33 -0.56 0.59 7.12 -1.12 -0.17 115.31 118.91 1jfj h LEU 130 Ca -0.05 0.09 0.11 0.00 0.13 0.00 0.00 57.88 58.17 1jfj h LEU 130 Cb 0.53 0.42 -0.11 0.00 -0.53 0.00 0.00 40.66 40.97 1jfj h LEU 130 CO 0.08 -0.71 -0.16 -0.33 -0.13 0.00 0.00 178.44 177.20 1jfj h GLU 131 N -1.09 -0.02 -0.81 1.25 5.08 -1.17 0.38 114.58 118.21 1jfj h GLU 131 Ca -0.08 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1jfj h GLU 131 Cb 0.92 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 1jfj h GLU 131 CO 0.01 -0.01 0.53 0.35 -1.00 0.00 0.00 179.01 178.89 1jfj h PHE 132 N -0.02 0.61 -0.00 4.33 3.57 -0.68 0.36 116.94 125.12 1jfj h PHE 132 Ca 0.27 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 1jfj h PHE 132 Cb 0.43 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1jfj h PHE 132 CO -0.48 0.23 -0.26 1.03 -2.23 0.00 0.00 178.31 176.60 1jfj h SER 133 N 0.52 0.00 0.00 0.41 0.87 0.16 -3.51 113.55 112.01 1jfj h SER 133 Ca 0.40 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1jfj h SER 133 Cb 0.79 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1jfj h SER 133 CO -0.15 0.27 0.00 -0.11 -0.53 0.00 0.00 176.83 176.31