#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 -0.65 -1.06 3.04 0.00 -2.03 -2.84 119.26 115.71 1jfj h ALA 2 Ca 0.00 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.01 1jfj h ALA 2 Cb 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1jfj h ALA 2 CO 0.00 -0.67 0.71 1.49 0.00 0.00 0.00 179.25 180.78 1jfj h GLU 3 N -1.04 0.25 -0.48 0.00 4.22 -1.98 0.61 114.58 116.16 1jfj h GLU 3 Ca -0.07 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.36 1jfj h GLU 3 Cb 0.58 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1jfj h GLU 3 CO 0.11 0.16 0.31 0.00 -2.18 0.00 0.00 179.01 177.41 1jfj h ALA 4 N 1.56 0.61 0.33 2.92 0.00 -1.96 0.40 119.26 123.13 1jfj h ALA 4 Ca 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1jfj h ALA 4 Cb 1.72 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jfj h ALA 4 CO -0.20 0.08 -0.16 -0.07 0.00 0.00 0.00 179.25 178.90 1jfj h LEU 5 N 0.65 -0.38 -0.96 0.00 3.38 0.31 -0.28 115.31 118.03 1jfj h LEU 5 Ca 0.18 -0.16 0.30 0.00 0.09 0.00 0.00 57.88 58.29 1jfj h LEU 5 Cb -0.04 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.65 1jfj h LEU 5 CO -0.04 0.07 0.43 0.15 0.09 0.00 0.00 178.44 179.14 1jfj h PHE 6 N -0.95 0.68 -0.14 1.13 3.57 -0.66 0.71 116.94 121.28 1jfj h PHE 6 Ca -0.05 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 1jfj h PHE 6 Cb 0.52 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.12 1jfj h PHE 6 CO 0.03 -0.23 -0.52 -0.22 -2.23 0.00 0.00 178.31 175.14 1jfj h LYS 7 N 0.24 0.61 -0.20 1.11 1.63 -0.89 -2.73 116.57 116.33 1jfj h LYS 7 Ca 0.68 -0.46 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 1jfj h LYS 7 Cb 1.53 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 33.18 1jfj h LYS 7 CO -0.66 1.08 -0.33 1.49 -3.45 0.00 0.00 179.45 177.58 1jfj h GLU 8 N 0.26 -0.35 -0.55 1.90 4.81 0.22 0.19 114.58 121.06 1jfj h GLU 8 Ca -0.02 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1jfj h GLU 8 Cb 1.15 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1jfj h GLU 8 CO 0.11 -0.23 0.37 0.82 -0.73 0.00 0.00 179.01 179.34 1jfj h ILE 9 N -0.36 0.99 0.00 2.32 5.03 -0.96 -3.01 117.51 121.52 1jfj h ILE 9 Ca 0.11 -0.17 -0.56 0.00 -0.12 0.00 0.00 64.86 64.11 1jfj h ILE 9 Cb 0.55 0.43 0.02 0.00 -3.03 0.00 0.00 36.82 34.79 1jfj h ILE 9 CO -0.40 0.09 3.29 -0.67 -0.68 0.00 0.00 178.15 179.77 1jfj n ASP 10 N -4.47 6.74 -0.24 1.72 2.03 0.67 -4.60 116.55 118.40 1jfj n ASP 10 Ca 0.07 -2.50 0.30 0.00 0.52 0.00 0.00 54.79 53.19 1jfj n ASP 10 Cb 0.24 -1.38 0.71 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 3.30 0.50 -0.18 5.18 2.07 -1.64 0.32 116.25 125.80 1jfj h VAL 11 Ca 0.70 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 68.24 1jfj h VAL 11 Cb 0.28 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1jfj h VAL 11 CO 1.68 0.01 -0.05 0.78 0.02 0.00 0.00 177.57 180.00 1jfj h ASN 12 N 0.04 -0.20 -1.34 0.57 -0.26 -1.89 -3.47 115.58 109.03 1jfj h ASN 12 Ca 0.49 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 56.29 1jfj h ASN 12 Cb 1.88 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 1jfj h ASN 12 CO -0.03 -0.07 0.00 0.61 -1.06 0.00 0.00 177.43 176.88 1jfj n GLY 13 N -1.20 0.48 0.01 2.83 0.00 0.11 -5.00 105.19 102.42 1jfj n GLY 13 Ca -0.03 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1jfj n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 14 N -0.63 1.55 0.00 1.61 5.75 -1.26 -4.98 116.55 118.58 1jfj n ASP 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 14 Cb 0.34 1.62 0.00 0.00 -1.03 0.00 0.00 41.12 42.05 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 1.69 0.78 3.39 6.12 0.00 -1.26 -5.04 105.19 110.87 1jfj n GLY 15 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.85 2.30 0.20 4.61 0.00 -1.26 -3.38 121.76 121.38 1jfj s ALA 16 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1jfj s ALA 16 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1jfj s ALA 16 CO 0.00 0.26 0.00 1.55 0.00 0.00 0.00 175.76 177.57 1jfj n VAL 17 N -0.05 0.00 -4.08 0.00 3.14 0.14 -4.93 118.33 112.54 1jfj n VAL 17 Ca -0.10 -0.93 -0.09 0.00 -2.96 0.00 0.00 64.34 60.25 1jfj n VAL 17 Cb 0.58 0.18 -0.04 0.00 -1.06 0.00 0.00 33.84 33.51 1jfj n VAL 17 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1jfj n SER 18 N -1.13 -0.42 0.03 6.55 3.41 -1.26 -1.47 113.62 119.33 1jfj n SER 18 Ca -0.08 -2.09 -0.14 0.00 -0.26 0.00 0.00 58.87 56.30 1jfj n SER 18 Cb 0.25 0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 1jfj n SER 18 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1jfj h TYR 19 N 1.54 0.78 -0.14 7.33 -0.00 -1.91 -1.87 116.97 122.70 1jfj h TYR 19 Ca -0.12 -0.36 -0.22 0.00 0.00 0.00 0.00 58.73 58.02 1jfj h TYR 19 Cb 0.61 -0.11 0.01 0.00 0.00 0.00 0.00 36.73 37.24 1jfj h TYR 19 CO 0.00 1.16 -0.79 1.05 -0.00 0.00 0.00 178.16 179.59 1jfj h GLU 20 N 0.37 0.78 -0.32 0.10 4.11 -1.97 -1.58 114.58 116.07 1jfj h GLU 20 Ca -0.06 -0.65 -0.02 0.00 0.07 0.00 0.00 59.36 58.70 1jfj h GLU 20 Cb 1.42 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1jfj h GLU 20 CO 0.15 1.26 0.12 0.93 0.07 0.00 0.00 179.01 181.54 1jfj h GLU 21 N 0.51 0.49 -0.06 1.06 5.08 -1.96 -1.08 114.58 118.62 1jfj h GLU 21 Ca -0.06 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1jfj h GLU 21 Cb 1.42 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1jfj h GLU 21 CO 0.16 0.50 0.03 -0.24 -1.00 0.00 0.00 179.01 178.46 1jfj h VAL 22 N 0.37 1.10 -0.79 3.13 3.04 -1.37 -0.53 116.25 121.22 1jfj h VAL 22 Ca 0.11 -0.30 0.15 0.00 -1.01 0.00 0.00 66.70 65.65 1jfj h VAL 22 Cb 0.21 1.20 -0.10 0.00 -2.01 0.00 0.00 31.29 30.59 1jfj h VAL 22 CO -0.01 0.09 0.33 0.50 -1.01 0.00 0.00 177.57 177.47 1jfj h LYS 23 N -0.02 0.45 0.11 4.17 3.64 -1.13 0.13 116.57 123.91 1jfj h LYS 23 Ca 0.02 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1jfj h LYS 23 Cb 0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1jfj h LYS 23 CO -0.00 0.30 -0.05 0.00 -2.27 0.00 0.00 179.45 177.42 1jfj h ALA 24 N 1.57 -0.14 -0.31 5.00 0.00 -0.74 0.38 119.26 125.02 1jfj h ALA 24 Ca 0.44 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1jfj h ALA 24 Cb 0.68 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1jfj h ALA 24 CO -0.41 -0.54 -0.23 0.35 0.00 0.00 0.00 179.25 178.42 1jfj h PHE 25 N -0.22 -0.60 -0.80 0.00 3.04 0.60 0.22 116.94 119.19 1jfj h PHE 25 Ca -0.01 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1jfj h PHE 25 Cb 0.17 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 1jfj h PHE 25 CO -0.05 -0.31 0.33 -0.39 -2.02 0.00 0.00 178.31 175.88 1jfj h VAL 26 N -0.20 1.26 -0.78 1.41 -1.51 -0.69 -2.34 116.25 113.40 1jfj h VAL 26 Ca 0.16 -0.80 0.09 0.00 -1.23 0.00 0.00 66.70 64.92 1jfj h VAL 26 Cb 0.45 0.30 -0.07 0.00 -2.13 0.00 0.00 31.29 29.83 1jfj h VAL 26 CO -0.43 0.33 0.44 -1.28 -1.23 0.00 0.00 177.57 175.40 1jfj h SER 27 N 1.15 0.62 -1.43 4.19 0.87 0.15 0.15 113.55 119.25 1jfj h SER 27 Ca 0.27 0.05 0.41 0.00 -1.23 0.00 0.00 61.79 61.29 1jfj h SER 27 Cb 0.19 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1jfj h SER 27 CO -0.02 0.36 1.04 0.50 -0.53 0.00 0.00 176.83 178.17 1jfj h LYS 28 N 0.75 0.00 0.00 2.24 1.63 -0.07 -2.28 116.57 118.84 1jfj h LYS 28 Ca 0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1jfj h LYS 28 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1jfj h LYS 28 CO -0.24 0.00 0.00 1.17 -3.45 0.00 0.00 179.45 176.93 1jfj n LYS 29 N -4.08 0.00 -2.08 1.90 0.00 0.49 -5.06 118.16 109.33 1jfj n LYS 29 Ca 0.31 0.22 -0.02 0.00 0.00 0.00 0.00 58.31 58.83 1jfj n LYS 29 Cb 1.49 -0.75 -0.01 0.00 0.00 0.00 0.00 35.03 35.76 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 -1.17 0.05 -2.89 1.64 5.12 -0.86 -5.09 116.66 113.45 1jfj n ARG 30 Ca 0.00 -0.29 -0.13 0.00 -1.93 0.00 0.00 57.85 55.50 1jfj n ARG 30 Cb 0.00 0.25 0.02 0.00 -1.16 0.00 0.00 32.46 31.57 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj n ALA 31 N -2.79 2.33 -1.92 7.54 0.00 -1.26 -4.05 120.51 120.36 1jfj n ALA 31 Ca -0.01 -2.97 -0.37 0.00 0.00 0.00 0.00 53.44 50.08 1jfj n ALA 31 Cb 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 3.89 -2.53 0.00 0.13 -1.26 -4.67 119.36 115.00 1jfj n ILE 32 Ca 0.15 -4.23 -0.05 0.00 -1.10 0.00 0.00 62.75 57.52 1jfj n ILE 32 Cb 0.75 -1.38 0.02 0.00 -0.84 0.00 0.00 39.64 38.19 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 -0.12 -1.65 0.13 9.51 5.02 -1.26 -4.94 118.16 124.85 1jfj n LYS 33 Ca 0.52 0.19 -0.01 0.00 -2.02 0.00 0.00 58.31 57.00 1jfj n LYS 33 Cb 0.30 -3.27 0.15 0.00 -0.02 0.00 0.00 35.03 32.20 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1jfj h ASN 34 N -0.52 0.00 -0.21 4.39 -1.07 -1.89 -1.51 115.58 114.78 1jfj h ASN 34 Ca -0.13 0.00 0.01 0.00 0.07 0.00 0.00 56.30 56.25 1jfj h ASN 34 Cb 1.08 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.31 1jfj h ASN 34 CO 0.12 0.63 0.11 1.05 0.07 0.00 0.00 177.43 179.41 1jfj h GLU 35 N 0.00 0.23 0.30 4.14 4.11 -1.93 0.44 114.58 121.88 1jfj h GLU 35 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1jfj h GLU 35 Cb 1.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1jfj h GLU 35 CO 0.08 0.15 -0.14 0.37 0.07 0.00 0.00 179.01 179.54 1jfj h GLN 36 N 0.24 -0.39 -0.68 1.06 4.15 -1.95 -1.24 115.11 116.30 1jfj h GLN 36 Ca 0.08 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.65 1jfj h GLN 36 Cb 0.01 0.09 -0.13 0.00 0.21 0.00 0.00 27.48 27.66 1jfj h GLN 36 CO -0.05 -0.26 -0.29 -0.07 -1.93 0.00 0.00 178.83 176.23 1jfj h LEU 37 N -1.03 -1.04 0.63 -2.39 -0.00 -1.31 0.10 115.31 110.26 1jfj h LEU 37 Ca -0.04 0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1jfj h LEU 37 Cb 0.31 0.56 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 1jfj h LEU 37 CO 0.07 -0.28 -0.50 0.25 -0.00 0.00 0.00 178.44 177.98 1jfj h LEU 38 N -0.10 -1.32 -1.18 1.67 5.85 -0.21 -1.14 115.31 118.90 1jfj h LEU 38 Ca 0.28 0.09 0.43 0.00 0.84 0.00 0.00 57.88 59.53 1jfj h LEU 38 Cb 0.55 0.41 -0.15 0.00 0.37 0.00 0.00 40.66 41.85 1jfj h LEU 38 CO -0.74 -0.70 0.72 1.67 -0.34 0.00 0.00 178.44 179.05 1jfj n GLN 39 N -5.52 -0.04 0.14 1.25 7.27 -0.33 0.12 117.38 120.27 1jfj n GLN 39 Ca -0.13 1.23 -0.12 0.00 0.07 0.00 0.00 57.00 58.05 1jfj n GLN 39 Cb 0.48 -2.35 -0.08 0.00 2.41 0.00 0.00 30.24 30.70 1jfj n GLN 39 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1jfj h LEU 40 N 0.00 -0.33 0.62 1.69 5.85 0.07 -1.30 115.31 121.90 1jfj h LEU 40 Ca 0.83 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 59.32 1jfj h LEU 40 Cb 2.49 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 43.60 1jfj h LEU 40 CO -0.55 0.09 -0.46 0.40 -0.34 0.00 0.00 178.44 177.58 1jfj h ILE 41 N -0.84 0.00 -0.68 4.05 2.04 0.21 -1.26 117.51 121.03 1jfj h ILE 41 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 1jfj h ILE 41 Cb 0.52 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.48 1jfj h ILE 41 CO 0.07 0.00 -0.45 0.15 0.00 0.00 0.00 178.15 177.92 1jfj h PHE 42 N -1.04 -1.33 -0.59 1.37 3.04 0.20 0.51 116.94 119.11 1jfj h PHE 42 Ca -0.08 0.09 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1jfj h PHE 42 Cb 0.86 0.68 -0.11 0.00 2.56 0.00 0.00 35.95 39.93 1jfj h PHE 42 CO -0.16 -0.42 -0.22 0.87 -2.02 0.00 0.00 178.31 176.37 1jfj h LYS 43 N -0.17 -0.07 0.00 1.11 1.57 -1.05 1.40 116.57 119.36 1jfj h LYS 43 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1jfj h LYS 43 Cb 0.55 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1jfj h LYS 43 CO -0.76 -0.05 -0.07 1.03 -0.57 0.00 0.00 179.45 179.03 1jfj h SER 44 N -0.07 0.00 0.29 0.86 0.87 0.60 -2.95 113.55 113.14 1jfj h SER 44 Ca 0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1jfj h SER 44 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1jfj h SER 44 CO -0.64 0.07 -0.14 0.40 -0.53 0.00 0.00 176.83 175.99 1jfj h ILE 45 N 0.00 0.00 -0.69 2.23 1.08 0.57 -3.40 117.51 117.30 1jfj h ILE 45 Ca -0.00 -0.71 -0.19 0.00 -0.39 0.00 0.00 64.86 63.57 1jfj h ILE 45 Cb 0.13 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.87 1jfj h ILE 45 CO 0.01 0.00 0.76 0.47 -0.69 0.00 0.00 178.15 178.69 1jfj n ASP 46 N -5.01 1.63 -0.04 1.72 9.92 0.39 -4.72 116.55 120.45 1jfj n ASP 46 Ca -0.05 -1.04 -0.16 0.00 -0.53 0.00 0.00 54.79 53.01 1jfj n ASP 46 Cb 0.15 -1.52 -0.07 0.00 -0.64 0.00 0.00 41.12 39.04 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jfj h ALA 47 N 14.69 0.29 0.16 2.24 0.00 -1.79 -3.23 119.26 131.60 1jfj h ALA 47 Ca -0.07 -0.54 -0.29 0.00 0.00 0.00 0.00 54.91 54.00 1jfj h ALA 47 Cb 1.11 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1jfj h ALA 47 CO 1.12 0.55 -1.30 0.38 0.00 0.00 0.00 179.25 180.00 1jfj h ASP 48 N 0.39 0.55 -1.01 0.00 3.04 -1.95 -3.48 116.42 113.95 1jfj h ASP 48 Ca -0.03 -0.58 0.00 0.00 -3.24 0.00 0.00 57.03 53.18 1jfj h ASP 48 Cb 1.25 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 1jfj h ASP 48 CO 0.13 1.45 0.00 0.61 -2.04 0.00 0.00 179.24 179.39 1jfj n GLY 49 N 1.56 0.82 0.00 7.15 0.00 -1.22 -4.95 105.19 108.55 1jfj n GLY 49 Ca -0.11 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 0.62 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 118.31 1jfj n ASN 50 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1jfj n ASN 50 Cb 0.39 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 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 1.27 2.54 3.61 4.83 0.00 -1.26 -4.97 105.19 111.21 1jfj n GLY 51 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.22 2.00 0.28 1.61 2.02 -1.26 -2.97 118.70 120.16 1jfj s GLU 52 Ca 0.00 -2.23 -0.02 0.00 0.02 0.00 0.00 54.97 52.75 1jfj s GLU 52 Cb 0.00 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 33.15 1jfj s GLU 52 CO 0.00 -0.36 0.39 0.44 0.02 0.00 0.00 175.26 175.75 1jfj n ILE 53 N -1.03 0.00 -4.50 -1.63 -5.35 -0.54 -4.88 119.36 101.43 1jfj n ILE 53 Ca -0.11 -1.40 -0.23 0.00 -0.27 0.00 0.00 62.75 60.75 1jfj n ILE 53 Cb 0.66 0.86 -0.05 0.00 -1.74 0.00 0.00 39.64 39.37 1jfj n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jfj n ASP 54 N -1.73 2.18 -0.06 7.28 5.68 -1.26 0.23 116.55 128.87 1jfj n ASP 54 Ca 0.00 -2.74 -0.09 0.00 -0.50 0.00 0.00 54.79 51.46 1jfj n ASP 54 Cb 0.46 0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 40.97 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 0.23 0.18 0.11 3.07 -1.93 0.72 115.11 117.48 1jfj h GLN 55 Ca -0.29 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.44 1jfj h GLN 55 Cb 0.99 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.45 1jfj h GLN 55 CO 0.48 0.15 -0.52 -0.97 0.09 0.00 0.00 178.83 178.06 1jfj h ASN 56 N 0.24 -1.56 -0.91 0.06 -0.73 -1.97 1.27 115.58 111.99 1jfj h ASN 56 Ca 0.10 0.16 0.16 0.00 1.87 0.00 0.00 56.30 58.59 1jfj h ASN 56 Cb 0.04 0.57 -0.10 0.00 0.27 0.00 0.00 38.32 39.10 1jfj h ASN 56 CO -0.08 -0.57 0.50 -0.33 -0.37 0.00 0.00 177.43 176.58 1jfj h GLU 57 N -0.79 0.67 -0.43 6.67 5.08 -1.92 0.14 114.58 124.00 1jfj h GLU 57 Ca -0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1jfj h GLU 57 Cb 0.77 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1jfj h GLU 57 CO -0.25 0.44 -0.14 0.35 -1.00 0.00 0.00 179.01 178.41 1jfj h PHE 58 N 0.69 0.89 -0.42 4.33 3.57 0.53 0.41 116.94 126.95 1jfj h PHE 58 Ca 0.50 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1jfj h PHE 58 Cb 0.71 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1jfj h PHE 58 CO -0.06 0.89 0.27 0.00 -2.23 0.00 0.00 178.31 177.18 1jfj h ALA 59 N 1.12 0.53 0.00 2.41 0.00 0.42 0.48 119.26 124.22 1jfj h ALA 59 Ca 0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1jfj h ALA 59 Cb 0.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jfj h ALA 59 CO 0.04 -0.03 -0.75 -0.22 0.00 0.00 0.00 179.25 178.30 1jfj h LYS 60 N 0.55 0.00 -0.75 0.00 1.63 -0.99 -3.13 116.57 113.88 1jfj h LYS 60 Ca 0.15 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1jfj h LYS 60 Cb -0.05 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1jfj h LYS 60 CO -0.04 0.75 0.33 0.35 -3.45 0.00 0.00 179.45 177.39 1jfj h PHE 61 N 0.00 1.09 -1.05 1.91 3.04 0.66 -2.56 116.94 120.03 1jfj h PHE 61 Ca -0.01 -0.06 0.35 0.00 3.98 0.00 0.00 57.97 62.23 1jfj h PHE 61 Cb 1.33 -0.33 -0.15 0.00 2.56 0.00 0.00 35.95 39.36 1jfj h PHE 61 CO 0.00 0.81 0.62 -0.92 -2.02 0.00 0.00 178.31 176.79 1jfj h TYR 62 N 1.07 0.84 0.00 0.41 5.03 -0.87 -3.45 116.97 119.99 1jfj h TYR 62 Ca 0.25 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.60 1jfj h TYR 62 Cb 0.15 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.21 1jfj h TYR 62 CO 0.01 -0.20 0.00 0.41 -1.32 0.00 0.00 178.16 177.06 1jfj n GLY 63 N -1.33 1.64 1.11 1.82 0.00 -0.96 -5.08 105.19 102.39 1jfj n GLY 63 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1jfj n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfj n SER 64 N 0.00 0.28 -0.05 1.61 7.64 -1.26 -4.62 113.62 117.23 1jfj n SER 64 Ca 0.00 -1.91 -0.03 0.00 1.01 0.00 0.00 58.87 57.94 1jfj n SER 64 Cb 0.00 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.25 0.62 -2.69 0.44 -6.64 -1.26 -4.83 119.36 105.25 1jfj n ILE 65 Ca -0.03 -0.44 -0.06 0.00 -1.77 0.00 0.00 62.75 60.45 1jfj n ILE 65 Cb 0.91 -0.50 0.07 0.00 -1.44 0.00 0.00 39.64 38.68 1jfj n ILE 65 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1jfj n GLN 66 N -2.32 0.74 -1.52 6.28 7.27 -1.26 -5.08 117.38 121.48 1jfj n GLN 66 Ca -0.15 -1.35 -0.25 0.00 0.07 0.00 0.00 57.00 55.32 1jfj n GLN 66 Cb 0.76 -0.14 -0.16 0.00 2.41 0.00 0.00 30.24 33.11 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jfj n GLY 67 N -0.39 -0.35 3.30 1.69 0.00 -1.26 -4.81 105.19 103.38 1jfj n GLY 67 Ca -0.11 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 8.00 0.75 0.00 1.61 -0.21 -1.26 -5.02 119.66 123.53 1jfj s GLN 68 Ca 1.20 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 56.49 1jfj s GLN 68 Cb -0.70 0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.65 1jfj s GLN 68 CO 0.41 -0.21 0.00 -0.25 -2.12 0.00 0.00 175.29 173.11 1jfj n ASP 69 N 1.21 -0.03 -0.07 5.90 9.92 -1.26 -4.98 116.55 127.25 1jfj n ASP 69 Ca -0.21 0.17 -0.12 0.00 -0.53 0.00 0.00 54.79 54.11 1jfj n ASP 69 Cb 0.56 0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 41.15 1jfj n ASP 69 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1jfj h LEU 70 N 0.00 0.00 -0.89 0.64 4.07 -2.00 -3.32 115.31 113.81 1jfj h LEU 70 Ca 0.00 -0.65 0.23 0.00 0.08 0.00 0.00 57.88 57.54 1jfj h LEU 70 Cb 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.61 1jfj h LEU 70 CO 0.00 0.96 0.35 0.28 -1.08 0.00 0.00 178.44 178.95 1jfj h SER 71 N -1.00 0.23 -0.97 -0.43 0.02 -1.95 1.02 113.55 110.47 1jfj h SER 71 Ca -0.06 0.17 0.18 0.00 -0.84 0.00 0.00 61.79 61.24 1jfj h SER 71 Cb 0.81 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.43 1jfj h SER 71 CO -0.03 -0.06 0.61 -0.78 -1.14 0.00 0.00 176.83 175.43 1jfj h ASP 72 N 0.33 0.69 0.77 3.07 3.58 -1.94 0.74 116.42 123.65 1jfj h ASP 72 Ca 0.56 0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.93 1jfj h ASP 72 Cb 1.11 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1jfj h ASP 72 CO -0.57 0.28 -0.75 0.44 -2.88 0.00 0.00 179.24 175.76 1jfj h ASP 73 N 0.69 0.00 0.39 2.28 5.19 0.90 -2.93 116.42 122.95 1jfj h ASP 73 Ca 0.53 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.85 1jfj h ASP 73 Cb 0.91 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 1jfj h ASP 73 CO -0.29 0.75 -0.40 0.11 -3.12 0.00 0.00 179.24 176.29 1jfj h LYS 74 N 0.00 0.00 0.05 3.56 1.57 0.20 -2.89 116.57 119.06 1jfj h LYS 74 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jfj h LYS 74 Cb 1.34 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1jfj h LYS 74 CO 0.10 0.40 -0.06 0.82 -0.57 0.00 0.00 179.45 180.13 1jfj h ILE 75 N 0.00 0.85 -0.15 1.86 1.08 -0.53 0.57 117.51 121.20 1jfj h ILE 75 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1jfj h ILE 75 Cb 0.70 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 35.24 1jfj h ILE 75 CO 0.05 0.00 -0.54 1.23 -0.69 0.00 0.00 178.15 178.20 1jfj h GLY 76 N -0.14 -1.06 0.32 5.37 0.00 -1.56 0.16 103.07 106.17 1jfj h GLY 76 Ca 0.01 0.67 0.05 0.00 0.00 0.00 0.00 47.33 48.06 1jfj h GLY 76 CO -0.03 -0.19 -0.23 -2.00 0.00 0.00 0.00 176.54 174.09 1jfj h LEU 77 N -0.57 -0.71 -0.61 3.11 6.46 -1.50 -1.30 115.31 120.20 1jfj h LEU 77 Ca 0.04 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1jfj h LEU 77 Cb 0.68 0.32 -0.10 0.00 -0.73 0.00 0.00 40.66 40.83 1jfj h LEU 77 CO -0.44 -0.28 -0.56 0.11 -0.62 0.00 0.00 178.44 176.65 1jfj h LYS 78 N -0.29 -0.25 -0.46 1.25 1.57 -0.05 0.27 116.57 118.59 1jfj h LYS 78 Ca 0.10 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1jfj h LYS 78 Cb 0.44 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 1jfj h LYS 78 CO -0.29 -0.17 -0.47 0.28 -0.57 0.00 0.00 179.45 178.23 1jfj h VAL 79 N -0.26 0.07 -0.46 0.50 2.07 -0.10 0.92 116.25 119.00 1jfj h VAL 79 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1jfj h VAL 79 Cb 0.54 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 1jfj h VAL 79 CO -0.71 0.00 -0.49 -0.07 0.02 0.00 0.00 177.57 176.32 1jfj h LEU 80 N -0.31 -1.65 -1.65 2.57 4.07 0.17 0.81 115.31 119.31 1jfj h LEU 80 Ca 0.13 0.24 0.28 0.00 0.08 0.00 0.00 57.88 58.61 1jfj h LEU 80 Cb 0.58 0.71 -0.07 0.00 1.08 0.00 0.00 40.66 42.96 1jfj h LEU 80 CO -0.62 -0.38 0.70 0.22 -1.08 0.00 0.00 178.44 177.29 1jfj h TYR 81 N -0.33 0.36 -0.03 1.13 5.03 0.11 0.83 116.97 124.06 1jfj h TYR 81 Ca 0.12 0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.23 1jfj h TYR 81 Cb 0.58 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1jfj h TYR 81 CO -0.70 0.04 -0.88 -0.22 -1.32 0.00 0.00 178.16 175.09 1jfj h LYS 82 N 0.22 0.44 -0.33 1.82 3.11 0.27 -2.99 116.57 119.12 1jfj h LYS 82 Ca 0.54 -0.43 -0.02 0.00 -2.81 0.00 0.00 60.65 57.94 1jfj h LYS 82 Cb 1.70 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 33.03 1jfj h LYS 82 CO -0.16 1.08 0.15 1.25 -2.81 0.00 0.00 179.45 178.96 1jfj h LEU 83 N 0.27 0.44 -0.35 5.20 5.85 0.51 -2.89 115.31 124.34 1jfj h LEU 83 Ca -0.07 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1jfj h LEU 83 Cb 1.49 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 1jfj h LEU 83 CO 0.15 0.47 -0.02 0.24 -0.34 0.00 0.00 178.44 178.94 1jfj h MET 84 N 0.39 0.07 -6.05 1.25 2.86 -0.94 -3.34 114.93 109.18 1jfj h MET 84 Ca 0.11 -0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.26 1jfj h MET 84 Cb 0.15 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1jfj h MET 84 CO -0.01 0.05 1.16 0.34 1.06 0.00 0.00 176.91 179.51 1jfj s ASP 85 N -5.24 5.72 -0.41 1.22 -1.08 -1.09 -4.77 116.67 111.00 1jfj s ASP 85 Ca -0.13 -0.45 0.05 0.00 -0.52 0.00 0.00 52.55 51.50 1jfj s ASP 85 Cb 0.13 -2.55 0.59 0.00 -1.46 0.00 0.00 42.92 39.63 1jfj s ASP 85 CO 0.70 -2.15 1.76 1.33 0.52 0.00 0.00 175.17 177.33 1jfj n VAL 86 N 7.07 3.01 -0.10 1.11 0.24 -1.25 -4.36 118.33 124.06 1jfj n VAL 86 Ca 0.23 -2.37 -0.19 0.00 -2.04 0.00 0.00 64.34 59.97 1jfj n VAL 86 Cb 0.50 -0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 1jfj n VAL 86 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1jfj n ASP 87 N -1.11 1.85 0.00 -1.34 9.92 -1.26 -5.08 116.55 119.53 1jfj n ASP 87 Ca 0.51 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.89 1jfj n ASP 87 Cb 1.35 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 1jfj n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jfj n GLY 88 N 2.04 0.77 1.82 0.44 0.00 -1.26 -5.07 105.19 103.93 1jfj n GLY 88 Ca -0.38 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 5.75 -1.26 -5.06 116.55 117.59 1jfj n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 89 Cb 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 90 N 1.38 1.66 3.24 6.12 0.00 -1.26 -5.10 105.19 111.23 1jfj n GLY 90 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.31 0.69 0.20 1.61 -2.85 -1.26 -3.10 119.74 113.71 1jfj s LYS 91 Ca 0.00 -0.25 0.03 0.00 -1.00 0.00 0.00 55.97 54.75 1jfj s LYS 91 Cb 0.00 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1jfj s LYS 91 CO 0.00 -0.20 -0.01 -0.51 0.10 0.00 0.00 175.35 174.74 1jfj s LEU 92 N -1.46 2.17 0.37 2.77 1.43 -0.51 -4.98 118.68 118.48 1jfj s LEU 92 Ca -0.12 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 51.88 1jfj s LEU 92 Cb -0.04 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.94 1jfj s LEU 92 CO 0.03 -0.53 -0.05 0.42 0.23 0.00 0.00 176.35 176.45 1jfj s THR 93 N -3.53 2.15 0.25 5.49 -4.23 -1.26 0.15 115.64 114.65 1jfj s THR 93 Ca 0.25 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1jfj s THR 93 Cb 0.06 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 71.21 1jfj s THR 93 CO 0.06 -0.12 1.74 0.07 -0.54 0.00 0.00 174.62 175.82 1jfj h LYS 94 N 1.92 0.82 -0.14 3.99 5.09 -1.86 0.39 116.57 126.79 1jfj h LYS 94 Ca -0.43 -0.23 -0.13 0.00 0.09 0.00 0.00 60.65 59.95 1jfj h LYS 94 Cb 1.25 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.49 1jfj h LYS 94 CO 0.75 0.84 -0.42 1.49 -2.09 0.00 0.00 179.45 180.01 1jfj h GLU 95 N 0.76 0.53 0.31 0.07 4.22 -1.96 -0.08 114.58 118.43 1jfj h GLU 95 Ca 0.14 -0.39 -0.02 0.00 0.08 0.00 0.00 59.36 59.18 1jfj h GLU 95 Cb 0.49 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jfj h GLU 95 CO 0.02 1.01 -0.15 1.49 -2.18 0.00 0.00 179.01 179.20 1jfj h GLU 96 N 0.15 -0.40 -1.00 1.92 4.81 -1.90 0.25 114.58 118.41 1jfj h GLU 96 Ca -0.01 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1jfj h GLU 96 Cb 1.04 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1jfj h GLU 96 CO 0.09 -0.12 0.66 -0.24 -0.73 0.00 0.00 179.01 178.66 1jfj h VAL 97 N -0.64 1.17 -0.04 0.32 3.04 -0.31 0.39 116.25 120.18 1jfj h VAL 97 Ca -0.04 -0.44 -0.08 0.00 -1.01 0.00 0.00 66.70 65.14 1jfj h VAL 97 Cb 0.46 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1jfj h VAL 97 CO 0.07 0.23 -0.34 0.74 -1.01 0.00 0.00 177.57 177.26 1jfj h THR 98 N 1.27 1.26 -0.16 3.17 2.02 -0.83 0.15 112.91 119.78 1jfj h THR 98 Ca 0.40 -1.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.18 1jfj h THR 98 Cb 0.01 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1jfj h THR 98 CO -0.13 0.36 -0.65 -1.28 0.37 0.00 0.00 175.52 174.19 1jfj h SER 99 N 0.07 0.69 -0.04 4.18 0.87 0.14 0.17 113.55 119.64 1jfj h SER 99 Ca 0.01 -0.41 -0.23 0.00 -1.23 0.00 0.00 61.79 59.93 1jfj h SER 99 Cb 0.63 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1jfj h SER 99 CO 0.05 1.16 -0.86 -0.26 -0.53 0.00 0.00 176.83 176.38 1jfj h PHE 100 N 0.44 0.94 -0.00 2.24 0.04 -0.61 -3.24 116.94 116.75 1jfj h PHE 100 Ca -0.02 -0.49 -0.14 0.00 2.80 0.00 0.00 57.97 60.13 1jfj h PHE 100 Cb 1.23 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 1jfj h PHE 100 CO 0.06 1.31 -0.66 0.74 -0.60 0.00 0.00 178.31 179.16 1jfj h PHE 101 N 0.30 0.00 -1.12 -0.55 0.04 -0.73 -3.11 116.94 111.78 1jfj h PHE 101 Ca -0.10 -0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.02 1jfj h PHE 101 Cb 1.52 -0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.55 1jfj h PHE 101 CO 0.11 0.67 0.69 -0.22 -0.60 0.00 0.00 178.31 178.96 1jfj h LYS 102 N 0.00 0.26 -1.00 1.51 1.63 -0.67 1.47 116.57 119.77 1jfj h LYS 102 Ca -0.01 -0.02 0.21 0.00 -0.85 0.00 0.00 60.65 59.99 1jfj h LYS 102 Cb 1.18 -0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 32.64 1jfj h LYS 102 CO 0.09 0.17 0.61 0.87 -3.45 0.00 0.00 179.45 177.74 1jfj h LYS 103 N 0.26 0.65 0.03 1.90 1.57 -1.68 -1.04 116.57 118.27 1jfj h LYS 103 Ca 0.72 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.41 1jfj h LYS 103 Cb 1.93 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 34.10 1jfj h LYS 103 CO -0.45 0.43 -0.24 1.25 -0.57 0.00 0.00 179.45 179.87 1jfj h HIS 104 N 0.67 0.18 0.00 -1.35 2.76 0.18 -3.48 115.15 114.10 1jfj h HIS 104 Ca 0.58 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 1jfj h HIS 104 Cb 1.04 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1jfj h HIS 104 CO -0.00 1.05 0.00 0.41 -1.30 0.00 0.00 177.93 178.08 1jfj n GLY 105 N 1.48 1.12 2.38 5.26 0.00 -0.40 -5.00 105.19 110.03 1jfj n GLY 105 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1jfj n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jfj n ILE 106 N -1.70 4.55 -0.53 -0.61 0.13 -1.26 -4.69 119.36 115.25 1jfj n ILE 106 Ca 0.00 -3.34 0.43 0.00 -1.10 0.00 0.00 62.75 58.74 1jfj n ILE 106 Cb 0.00 -2.21 0.73 0.00 -0.84 0.00 0.00 39.64 37.32 1jfj n ILE 106 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1jfj h GLU 107 N 4.44 0.04 -0.61 9.51 5.08 -1.94 0.47 114.58 131.57 1jfj h GLU 107 Ca 0.69 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.16 1jfj h GLU 107 Cb 0.44 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1jfj h GLU 107 CO 1.42 0.03 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.95 1jfj h LYS 108 N 0.04 -0.12 -1.08 2.33 1.63 -2.00 1.18 116.57 118.56 1jfj h LYS 108 Ca 0.82 0.01 0.29 0.00 -0.85 0.00 0.00 60.65 60.92 1jfj h LYS 108 Cb 2.99 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 34.55 1jfj h LYS 108 CO -0.19 -0.08 0.71 -0.24 -3.45 0.00 0.00 179.45 176.20 1jfj h VAL 109 N -0.12 0.48 -0.69 2.00 3.04 -0.46 1.27 116.25 121.77 1jfj h VAL 109 Ca 0.26 -0.10 -0.07 0.00 -1.01 0.00 0.00 66.70 65.78 1jfj h VAL 109 Cb 0.54 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 29.94 1jfj h VAL 109 CO -0.68 0.06 0.17 0.00 -1.01 0.00 0.00 177.57 176.10 1jfj h ALA 110 N 1.59 0.99 -0.27 3.17 0.00 0.13 0.29 119.26 125.16 1jfj h ALA 110 Ca 0.60 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 1jfj h ALA 110 Cb 1.70 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1jfj h ALA 110 CO -0.26 0.65 -0.57 1.49 0.00 0.00 0.00 179.25 180.57 1jfj h GLU 111 N 1.04 0.84 -0.39 0.00 4.81 0.22 -0.50 114.58 120.60 1jfj h GLU 111 Ca 0.22 -0.55 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1jfj h GLU 111 Cb 0.36 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1jfj h GLU 111 CO 0.00 1.18 -0.20 0.37 -0.73 0.00 0.00 179.01 179.63 1jfj h GLN 112 N 0.64 0.75 -0.31 1.92 5.75 -0.22 -0.57 115.11 123.07 1jfj h GLN 112 Ca 0.01 -0.29 -0.17 0.00 -0.15 0.00 0.00 58.65 58.05 1jfj h GLN 112 Cb 1.17 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 1jfj h GLN 112 CO 0.12 0.89 -0.49 0.28 -2.65 0.00 0.00 178.83 176.98 1jfj h VAL 113 N 0.66 1.28 -0.69 2.39 2.07 -0.35 0.81 116.25 122.41 1jfj h VAL 113 Ca 0.10 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 1jfj h VAL 113 Cb 0.69 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1jfj h VAL 113 CO 0.05 0.55 0.15 0.24 0.02 0.00 0.00 177.57 178.59 1jfj h MET 114 N 0.68 1.10 -0.00 1.57 2.86 -0.84 -1.51 114.93 118.78 1jfj h MET 114 Ca 0.03 -0.27 -0.17 0.00 -2.06 0.00 0.00 59.70 57.23 1jfj h MET 114 Cb 1.09 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1jfj h MET 114 CO 0.11 0.98 -0.78 0.87 1.06 0.00 0.00 176.91 179.15 1jfj h LYS 115 N 1.04 0.07 -0.67 1.72 1.57 -1.02 -3.12 116.57 116.16 1jfj h LYS 115 Ca 0.21 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1jfj h LYS 115 Cb 0.38 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1jfj h LYS 115 CO 0.00 0.81 0.30 0.00 -0.57 0.00 0.00 179.45 180.00 1jfj h ALA 116 N 1.17 0.86 -0.26 3.86 0.00 -0.36 -3.12 119.26 121.41 1jfj h ALA 116 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jfj h ALA 116 Cb 1.37 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1jfj h ALA 116 CO 0.11 0.44 -0.17 0.22 0.00 0.00 0.00 179.25 179.85 1jfj h ASP 117 N 0.93 -0.61 0.00 0.00 1.82 -1.22 -3.42 116.42 113.91 1jfj h ASP 117 Ca 0.23 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1jfj h ASP 117 Cb 0.15 0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1jfj h ASP 117 CO -0.03 -0.08 0.00 0.00 -1.61 0.00 0.00 179.24 177.53 1jfj n ALA 118 N -3.02 0.00 -0.31 -0.78 0.00 -1.18 -4.43 120.51 110.77 1jfj n ALA 118 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1jfj n ALA 118 Cb 0.08 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.63 1jfj n ALA 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jfj h ASN 119 N 0.00 -0.93 -0.66 0.00 -0.26 -1.92 -3.46 115.58 108.36 1jfj h ASN 119 Ca 0.00 0.27 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1jfj h ASN 119 Cb 0.00 0.58 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1jfj h ASN 119 CO 0.00 -0.29 0.00 0.61 -1.06 0.00 0.00 177.43 176.69 1jfj n GLY 120 N -1.55 0.82 0.87 2.83 0.00 -1.26 -5.05 105.19 101.85 1jfj n GLY 120 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.33 0.74 0.00 1.61 5.75 -1.26 -5.05 116.55 118.01 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 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 2.95 1.46 3.19 6.12 0.00 -1.26 -5.12 105.19 112.53 1jfj n GLY 122 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.03 0.26 1.61 1.51 -1.26 -2.78 117.35 115.72 1jfj s TYR 123 Ca 0.00 -1.21 -0.11 0.00 -1.01 0.00 0.00 57.07 54.74 1jfj s TYR 123 Cb 0.00 -0.57 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1jfj s TYR 123 CO 0.00 -0.46 0.47 0.96 -1.11 0.00 0.00 175.55 175.41 1jfj s ILE 124 N -3.96 0.00 0.36 2.71 -4.36 0.12 -4.88 121.20 111.19 1jfj s ILE 124 Ca 0.27 -1.45 0.04 0.00 -0.26 0.00 0.00 60.65 59.25 1jfj s ILE 124 Cb 0.07 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 1jfj s ILE 124 CO 0.05 0.00 0.16 0.42 0.24 0.00 0.00 174.94 175.81 1jfj s THR 125 N -3.84 0.43 0.06 8.37 -4.23 -1.26 -1.43 115.64 113.74 1jfj s THR 125 Ca 0.24 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.58 1jfj s THR 125 Cb -0.00 -2.44 -0.17 0.00 1.34 0.00 0.00 72.50 71.22 1jfj s THR 125 CO 0.11 0.00 1.25 0.17 -0.54 0.00 0.00 174.62 175.61 1jfj h LEU 126 N 2.00 0.69 -1.38 4.79 8.10 -1.93 -1.38 115.31 126.18 1jfj h LEU 126 Ca -0.33 -0.63 -0.04 0.00 0.11 0.00 0.00 57.88 56.99 1jfj h LEU 126 Cb 1.26 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.26 1jfj h LEU 126 CO 0.52 1.20 -0.03 1.05 -4.11 0.00 0.00 178.44 177.07 1jfj h GLU 127 N 0.21 0.37 -0.07 0.17 4.11 -1.97 -0.58 114.58 116.83 1jfj h GLU 127 Ca -0.03 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 59.12 1jfj h GLU 127 Cb 1.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jfj h GLU 127 CO 0.11 0.42 -0.82 1.49 0.07 0.00 0.00 179.01 180.29 1jfj h GLU 128 N 0.36 0.51 -0.42 1.06 4.81 -1.95 -1.22 114.58 117.74 1jfj h GLU 128 Ca 0.08 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 1jfj h GLU 128 Cb 0.29 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1jfj h GLU 128 CO 0.01 1.09 -0.20 0.35 -0.73 0.00 0.00 179.01 179.53 1jfj h PHE 129 N 0.33 0.92 0.29 0.92 3.57 -0.62 -0.35 116.94 122.00 1jfj h PHE 129 Ca -0.06 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1jfj h PHE 129 Cb 1.43 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1jfj h PHE 129 CO 0.06 0.94 -0.14 1.25 -2.23 0.00 0.00 178.31 178.19 1jfj h LEU 130 N 0.71 -0.33 -1.20 0.59 7.12 -1.11 -2.02 115.31 119.07 1jfj h LEU 130 Ca 0.10 -0.17 0.20 0.00 0.13 0.00 0.00 57.88 58.14 1jfj h LEU 130 Cb 0.71 0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.84 1jfj h LEU 130 CO 0.05 0.14 0.61 -0.33 -0.13 0.00 0.00 178.44 178.79 1jfj h GLU 131 N -0.98 0.62 -0.05 1.25 4.39 -1.25 0.50 114.58 119.06 1jfj h GLU 131 Ca -0.04 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1jfj h GLU 131 Cb 0.48 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1jfj h GLU 131 CO 0.07 0.41 -0.41 0.35 -1.16 0.00 0.00 179.01 178.27 1jfj h PHE 132 N 0.64 0.13 0.00 4.33 3.04 -1.05 -2.54 116.94 121.49 1jfj h PHE 132 Ca 0.54 -0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.33 1jfj h PHE 132 Cb 1.01 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1jfj h PHE 132 CO -0.00 0.51 -0.60 0.66 -2.02 0.00 0.00 178.31 176.85 1jfj h SER 133 N 0.10 0.00 0.00 0.41 4.64 0.71 -3.51 113.55 115.90 1jfj h SER 133 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jfj h SER 133 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1jfj h SER 133 CO 0.06 0.60 0.00 -0.11 -0.87 0.00 0.00 176.83 176.51