#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 -0.69 -0.01 -5.12 0.00 -2.07 -0.34 119.26 111.02 1jfj h ALA 2 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1jfj h ALA 2 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jfj h ALA 2 CO 0.00 -0.64 -0.66 0.93 0.00 0.00 0.00 179.25 178.88 1jfj h GLU 3 N -1.18 0.06 0.00 0.00 5.08 -2.05 -2.83 114.58 113.66 1jfj h GLU 3 Ca -0.07 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1jfj h GLU 3 Cb 0.53 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1jfj h GLU 3 CO 0.12 0.70 -0.37 0.00 -1.00 0.00 0.00 179.01 178.46 1jfj h ALA 4 N 1.29 1.39 -0.79 3.43 0.00 -2.01 -3.14 119.26 119.44 1jfj h ALA 4 Ca -0.01 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1jfj h ALA 4 Cb 1.17 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1jfj h ALA 4 CO 0.09 0.46 -0.58 1.25 0.00 0.00 0.00 179.25 180.47 1jfj h LEU 5 N 0.00 -2.06 -1.72 0.00 5.85 -0.78 1.48 115.31 118.08 1jfj h LEU 5 Ca -0.00 0.30 0.34 0.00 0.84 0.00 0.00 57.88 59.36 1jfj h LEU 5 Cb 0.65 0.89 -0.07 0.00 0.37 0.00 0.00 40.66 42.49 1jfj h LEU 5 CO 0.05 -0.29 0.82 0.15 -0.34 0.00 0.00 178.44 178.83 1jfj h PHE 6 N -0.14 0.27 0.15 1.25 3.57 -1.71 0.15 116.94 120.48 1jfj h PHE 6 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1jfj h PHE 6 Cb 0.48 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1jfj h PHE 6 CO -0.92 -0.00 -0.07 -0.22 -2.23 0.00 0.00 178.31 174.86 1jfj h LYS 7 N 0.14 -0.19 -0.91 1.11 3.11 0.18 -3.24 116.57 116.77 1jfj h LYS 7 Ca 0.62 0.01 0.24 0.00 -2.81 0.00 0.00 60.65 58.72 1jfj h LYS 7 Cb 2.13 0.04 -0.14 0.00 -1.00 0.00 0.00 32.23 33.27 1jfj h LYS 7 CO -0.15 0.25 0.36 1.49 -2.81 0.00 0.00 179.45 178.59 1jfj h GLU 8 N -0.85 0.30 -0.87 1.90 4.81 0.21 1.49 114.58 121.57 1jfj h GLU 8 Ca -0.02 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.44 1jfj h GLU 8 Cb 0.53 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1jfj h GLU 8 CO 0.03 0.20 0.64 0.82 -0.73 0.00 0.00 179.01 179.97 1jfj h ILE 9 N 0.31 0.54 -0.00 2.32 2.04 -1.16 -3.22 117.51 118.34 1jfj h ILE 9 Ca 0.59 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.82 1jfj h ILE 9 Cb 1.19 0.55 0.08 0.00 -0.74 0.00 0.00 36.82 37.90 1jfj h ILE 9 CO -0.59 0.00 2.02 0.47 0.00 0.00 0.00 178.15 180.04 1jfj n ASP 10 N -4.22 2.06 -0.23 1.72 8.00 0.51 -4.71 116.55 119.68 1jfj n ASP 10 Ca 0.18 -2.63 -0.06 0.00 0.71 0.00 0.00 54.79 52.99 1jfj n ASP 10 Cb 0.95 -0.93 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 1jfj n ASP 10 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1jfj h VAL 11 N 4.64 0.00 -0.80 2.53 -1.51 -1.79 0.73 116.25 120.04 1jfj h VAL 11 Ca 0.37 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 66.04 1jfj h VAL 11 Cb 0.68 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 29.70 1jfj h VAL 11 CO 1.99 0.00 0.08 -0.55 -1.23 0.00 0.00 177.57 177.86 1jfj h ASN 12 N -0.02 -0.23 -0.79 4.19 -1.07 -1.92 -3.47 115.58 112.28 1jfj h ASN 12 Ca 0.09 0.20 0.00 0.00 0.07 0.00 0.00 56.30 56.65 1jfj h ASN 12 Cb 0.24 0.32 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 1jfj h ASN 12 CO -0.52 -0.17 0.00 0.61 0.07 0.00 0.00 177.43 177.42 1jfj n GLY 13 N -1.41 -0.78 1.42 9.14 0.00 0.25 -5.09 105.19 108.73 1jfj n GLY 13 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 0.00 1.61 5.75 -1.26 -5.05 116.55 117.60 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 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.34 1.36 3.66 6.12 0.00 -1.26 -5.11 105.19 111.31 1jfj n GLY 15 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.78 3.51 0.36 4.61 0.00 -1.26 -3.88 121.76 123.31 1jfj s ALA 16 Ca 0.00 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1jfj s ALA 16 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1jfj s ALA 16 CO 0.00 -0.12 0.18 0.54 0.00 0.00 0.00 175.76 176.36 1jfj s VAL 17 N -2.92 0.35 0.24 0.00 0.11 0.37 -4.80 120.40 113.75 1jfj s VAL 17 Ca 0.20 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.25 1jfj s VAL 17 Cb 0.05 -2.43 -0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1jfj s VAL 17 CO 0.10 0.00 0.02 -1.54 -3.33 0.00 0.00 175.10 170.35 1jfj n SER 18 N -1.27 2.26 -0.08 3.54 3.41 -1.26 -0.28 113.62 119.94 1jfj n SER 18 Ca -0.00 -2.11 -0.10 0.00 -0.26 0.00 0.00 58.87 56.41 1jfj n SER 18 Cb 0.64 0.27 0.05 0.00 -0.26 0.00 0.00 64.21 64.91 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 1.19 0.91 0.03 7.33 -0.00 -1.91 0.36 116.97 124.88 1jfj h TYR 19 Ca -0.20 -0.25 -0.25 0.00 0.00 0.00 0.00 58.73 58.03 1jfj h TYR 19 Cb 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 36.73 37.17 1jfj h TYR 19 CO 0.00 1.01 -1.05 1.49 -0.00 0.00 0.00 178.16 179.61 1jfj h GLU 20 N 0.65 0.52 -0.54 0.10 4.81 -1.96 -1.32 114.58 116.84 1jfj h GLU 20 Ca 0.06 -0.60 -0.11 0.00 -0.13 0.00 0.00 59.36 58.58 1jfj h GLU 20 Cb 0.89 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1jfj h GLU 20 CO 0.08 1.22 -0.11 1.49 -0.73 0.00 0.00 179.01 180.96 1jfj h GLU 21 N 0.27 1.02 -0.27 1.92 4.81 -1.93 0.12 114.58 120.51 1jfj h GLU 21 Ca -0.12 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.60 1jfj h GLU 21 Cb 1.70 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 1jfj h GLU 21 CO 0.19 1.07 -0.32 -0.24 -0.73 0.00 0.00 179.01 178.99 1jfj h VAL 22 N 0.90 1.30 0.00 0.32 3.04 -0.96 -1.04 116.25 119.81 1jfj h VAL 22 Ca 0.14 -1.49 -0.05 0.00 -1.01 0.00 0.00 66.70 64.28 1jfj h VAL 22 Cb 0.68 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 1jfj h VAL 22 CO 0.05 0.48 -0.25 0.07 -1.01 0.00 0.00 177.57 176.91 1jfj h LYS 23 N 0.43 0.00 -0.12 4.17 5.09 -1.10 -1.14 116.57 123.90 1jfj h LYS 23 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.69 1jfj h LYS 23 Cb 0.89 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.22 1jfj h LYS 23 CO 0.08 0.25 -0.27 0.00 -2.09 0.00 0.00 179.45 177.42 1jfj h ALA 24 N 1.75 0.20 0.29 0.07 0.00 -0.49 -1.36 119.26 119.73 1jfj h ALA 24 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1jfj h ALA 24 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jfj h ALA 24 CO 0.03 0.20 -0.19 0.35 0.00 0.00 0.00 179.25 179.64 1jfj h PHE 25 N -0.01 -0.49 -0.20 0.00 3.57 -0.72 -2.18 116.94 116.90 1jfj h PHE 25 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1jfj h PHE 25 Cb 0.86 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1jfj h PHE 25 CO 0.10 -0.29 -0.02 -0.24 -2.23 0.00 0.00 178.31 175.63 1jfj h VAL 26 N -0.46 0.83 -0.82 1.41 3.04 -1.29 -1.95 116.25 117.01 1jfj h VAL 26 Ca -0.03 -0.01 0.18 0.00 -1.01 0.00 0.00 66.70 65.83 1jfj h VAL 26 Cb 0.39 0.79 -0.15 0.00 -2.01 0.00 0.00 31.29 30.31 1jfj h VAL 26 CO 0.02 0.01 -0.14 0.77 -1.01 0.00 0.00 177.57 177.22 1jfj h SER 27 N 0.04 -0.65 -1.78 3.17 4.64 -1.00 1.45 113.55 119.41 1jfj h SER 27 Ca 0.10 0.24 0.52 0.00 -0.47 0.00 0.00 61.79 62.17 1jfj h SER 27 Cb 0.13 0.47 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 1jfj h SER 27 CO -0.18 -0.26 1.33 0.11 -0.87 0.00 0.00 176.83 176.96 1jfj h LYS 28 N 0.02 0.00 0.00 4.77 1.57 -0.71 -1.22 116.57 121.01 1jfj h LYS 28 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1jfj h LYS 28 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1jfj h LYS 28 CO -0.82 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.23 1jfj n LYS 29 N -3.90 0.00 -1.73 3.15 4.81 0.49 -5.04 118.16 115.95 1jfj n LYS 29 Ca 0.40 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1jfj n LYS 29 Cb 1.87 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 36.13 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jfj n ARG 30 N -0.96 0.70 -2.75 1.64 5.12 -0.46 -5.10 116.66 114.86 1jfj n ARG 30 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1jfj n ARG 30 Cb 0.00 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.37 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj n ALA 31 N -3.00 1.69 -0.10 7.54 0.00 -1.26 -4.24 120.51 121.13 1jfj n ALA 31 Ca 0.00 -2.15 -0.18 0.00 0.00 0.00 0.00 53.44 51.11 1jfj n ALA 31 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.17 1.46 -2.66 0.00 0.13 -1.26 -4.90 119.36 111.97 1jfj n ILE 32 Ca 0.06 -0.09 -0.02 0.00 -1.10 0.00 0.00 62.75 61.60 1jfj n ILE 32 Cb 0.79 -2.10 0.12 0.00 -0.84 0.00 0.00 39.64 37.62 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 -4.30 1.27 0.02 9.51 5.02 -1.26 -4.95 118.16 123.47 1jfj n LYS 33 Ca -0.31 -1.12 -0.03 0.00 -2.02 0.00 0.00 58.31 54.83 1jfj n LYS 33 Cb 0.66 0.40 0.22 0.00 -0.02 0.00 0.00 35.03 36.29 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 0.93 0.46 0.43 4.39 -1.07 -1.90 -0.86 115.58 117.96 1jfj h ASN 34 Ca -0.42 -0.15 -0.02 0.00 0.07 0.00 0.00 56.30 55.78 1jfj h ASN 34 Cb 1.28 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1jfj h ASN 34 CO -0.18 0.69 -0.21 -0.08 0.07 0.00 0.00 177.43 177.73 1jfj h GLU 35 N 0.42 -0.56 0.53 4.14 4.81 -1.92 0.26 114.58 122.25 1jfj h GLU 35 Ca 0.07 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1jfj h GLU 35 Cb 0.62 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1jfj h GLU 35 CO 0.04 -0.25 -0.48 0.37 -0.73 0.00 0.00 179.01 177.96 1jfj h GLN 36 N -0.87 -0.96 -0.03 1.92 5.75 -1.94 0.52 115.11 119.50 1jfj h GLN 36 Ca -0.06 0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1jfj h GLN 36 Cb 0.56 0.22 -0.06 0.00 1.07 0.00 0.00 27.48 29.27 1jfj h GLN 36 CO 0.10 -0.64 -0.40 1.25 -2.65 0.00 0.00 178.83 176.49 1jfj h LEU 37 N -0.99 -1.23 -1.68 -2.39 7.12 -1.24 0.31 115.31 115.21 1jfj h LEU 37 Ca -0.07 0.15 0.23 0.00 0.13 0.00 0.00 57.88 58.33 1jfj h LEU 37 Cb 0.85 0.49 -0.06 0.00 -0.53 0.00 0.00 40.66 41.41 1jfj h LEU 37 CO -0.03 -0.44 0.62 0.25 -0.13 0.00 0.00 178.44 178.71 1jfj h LEU 38 N -0.54 0.25 -0.13 2.25 6.46 -0.30 0.21 115.31 123.52 1jfj h LEU 38 Ca 0.06 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1jfj h LEU 38 Cb 0.63 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1jfj h LEU 38 CO -0.33 0.09 0.05 -0.61 -0.62 0.00 0.00 178.44 177.02 1jfj h GLN 39 N 0.25 0.20 0.90 1.25 5.75 0.38 0.50 115.11 124.34 1jfj h GLN 39 Ca 0.47 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.88 1jfj h GLN 39 Cb 1.41 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.94 1jfj h GLN 39 CO -0.12 0.31 -0.43 -0.07 -2.65 0.00 0.00 178.83 175.86 1jfj h LEU 40 N 0.05 -1.03 0.10 -2.39 4.07 0.87 0.21 115.31 117.19 1jfj h LEU 40 Ca 0.04 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.05 1jfj h LEU 40 Cb 0.18 0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 1jfj h LEU 40 CO -0.00 -0.71 -0.51 0.40 -1.08 0.00 0.00 178.44 176.53 1jfj h ILE 41 N -1.26 0.00 -0.63 1.22 2.04 -1.13 0.37 117.51 118.12 1jfj h ILE 41 Ca -0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1jfj h ILE 41 Cb 0.93 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 1jfj h ILE 41 CO 0.20 0.00 -0.49 0.15 0.00 0.00 0.00 178.15 178.01 1jfj h PHE 42 N -0.72 -1.54 -0.48 1.37 3.04 0.02 1.35 116.94 119.98 1jfj h PHE 42 Ca -0.00 0.09 0.14 0.00 3.98 0.00 0.00 57.97 62.18 1jfj h PHE 42 Cb 0.73 0.76 -0.02 0.00 2.56 0.00 0.00 35.95 39.98 1jfj h PHE 42 CO -0.46 -0.36 0.35 -0.22 -2.02 0.00 0.00 178.31 175.60 1jfj h LYS 43 N -0.15 0.00 0.42 1.11 3.64 -0.56 0.96 116.57 121.99 1jfj h LYS 43 Ca 0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1jfj h LYS 43 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jfj h LYS 43 CO -0.67 0.00 -0.20 1.03 -2.27 0.00 0.00 179.45 177.34 1jfj h SER 44 N 0.00 -0.48 -0.48 4.20 0.87 0.58 -3.17 113.55 115.07 1jfj h SER 44 Ca 0.23 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1jfj h SER 44 Cb 0.93 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1jfj h SER 44 CO -0.00 -0.11 0.04 -0.29 -0.53 0.00 0.00 176.83 175.93 1jfj h ILE 45 N -0.91 1.25 -1.26 2.23 6.09 0.90 -3.40 117.51 122.41 1jfj h ILE 45 Ca -0.06 -1.01 -0.46 0.00 -1.37 0.00 0.00 64.86 61.96 1jfj h ILE 45 Cb 0.56 0.80 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1jfj h ILE 45 CO 0.10 0.36 1.65 -0.67 -3.07 0.00 0.00 178.15 176.52 1jfj n ASP 46 N -4.22 1.89 -0.05 2.19 2.03 0.32 -4.63 116.55 114.09 1jfj n ASP 46 Ca 0.03 -0.39 -0.09 0.00 0.52 0.00 0.00 54.79 54.86 1jfj n ASP 46 Cb 0.30 -1.45 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 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 14.89 2.11 -0.18 -1.67 0.00 -1.26 -4.66 120.51 129.74 1jfj n ALA 47 Ca 0.43 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1jfj n ALA 47 Cb 0.44 0.33 0.01 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.21 0.96 0.00 0.00 3.04 -1.98 -3.47 116.42 114.76 1jfj h ASP 48 Ca -0.24 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 1jfj h ASP 48 Cb 1.27 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 1jfj h ASP 48 CO -0.10 1.07 0.00 0.61 -2.04 0.00 0.00 179.24 178.78 1jfj n GLY 49 N -0.30 1.19 0.13 7.15 0.00 -1.26 -4.98 105.19 107.11 1jfj n GLY 49 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.16 1.61 7.08 -1.95 -3.47 115.58 117.68 1jfj h ASN 50 Ca 0.00 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.07 1jfj h ASN 50 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1jfj h ASN 50 CO 0.00 0.66 -0.19 0.61 -2.08 0.00 0.00 177.43 176.43 1jfj n GLY 51 N 0.52 0.09 3.42 9.14 0.00 -1.26 -5.03 105.19 112.07 1jfj n GLY 51 Ca -0.01 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.44 1.54 -0.06 1.61 2.02 -1.26 -2.93 118.70 115.17 1jfj s GLU 52 Ca 0.01 -1.79 -0.02 0.00 0.02 0.00 0.00 54.97 53.20 1jfj s GLU 52 Cb -0.01 -1.06 0.03 0.00 0.10 0.00 0.00 34.13 33.19 1jfj s GLU 52 CO 0.02 -0.00 0.02 0.42 0.02 0.00 0.00 175.26 175.73 1jfj s ILE 53 N -3.09 0.24 0.40 -1.63 1.01 0.61 -4.88 121.20 113.86 1jfj s ILE 53 Ca 0.30 0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.17 1jfj s ILE 53 Cb 0.05 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.10 1jfj s ILE 53 CO 0.12 0.24 0.09 -0.90 0.00 0.00 0.00 174.94 174.48 1jfj n ASP 54 N 5.19 2.88 -0.32 3.58 5.68 -1.26 0.14 116.55 132.44 1jfj n ASP 54 Ca -0.06 -2.64 0.28 0.00 -0.50 0.00 0.00 54.79 51.87 1jfj n ASP 54 Cb 0.50 0.19 0.52 0.00 -1.14 0.00 0.00 41.12 41.18 1jfj n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jfj n GLN 55 N -1.12 -0.06 0.35 0.11 6.02 -1.25 0.22 117.38 121.65 1jfj n GLN 55 Ca -0.12 1.36 -0.14 0.00 -0.01 0.00 0.00 57.00 58.09 1jfj n GLN 55 Cb 0.49 -2.39 -0.07 0.00 1.02 0.00 0.00 30.24 29.30 1jfj n GLN 55 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1jfj h ASN 56 N 0.00 -0.78 -0.66 1.08 4.21 -1.94 -0.10 115.58 117.40 1jfj h ASN 56 Ca 0.78 0.03 0.11 0.00 1.21 0.00 0.00 56.30 58.43 1jfj h ASN 56 Cb 1.99 0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 39.35 1jfj h ASN 56 CO -0.78 -0.42 0.44 -0.33 -1.29 0.00 0.00 177.43 175.05 1jfj h GLU 57 N -1.19 0.41 0.66 0.81 4.39 -0.60 -1.55 114.58 117.52 1jfj h GLU 57 Ca -0.09 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1jfj h GLU 57 Cb 0.70 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1jfj h GLU 57 CO 0.15 0.27 -0.32 0.35 -1.16 0.00 0.00 179.01 178.30 1jfj h PHE 58 N 0.42 -0.83 -0.75 4.33 3.57 0.27 0.38 116.94 124.34 1jfj h PHE 58 Ca 0.31 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.95 1jfj h PHE 58 Cb 0.64 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 39.55 1jfj h PHE 58 CO -0.00 -0.48 0.23 0.00 -2.23 0.00 0.00 178.31 175.83 1jfj h ALA 59 N -0.91 1.02 0.00 2.41 0.00 -0.49 0.94 119.26 122.23 1jfj h ALA 59 Ca -0.09 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1jfj h ALA 59 Cb 0.72 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1jfj h ALA 59 CO 0.15 -0.31 -0.39 0.87 0.00 0.00 0.00 179.25 179.57 1jfj h LYS 60 N 0.32 0.00 0.59 0.00 1.57 -1.19 0.58 116.57 118.44 1jfj h LYS 60 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 1jfj h LYS 60 Cb 0.72 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1jfj h LYS 60 CO -0.49 0.39 -0.29 0.35 -0.57 0.00 0.00 179.45 178.85 1jfj h PHE 61 N 0.00 -0.74 -0.05 -1.35 3.57 0.52 -3.02 116.94 115.87 1jfj h PHE 61 Ca -0.00 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1jfj h PHE 61 Cb 0.69 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1jfj h PHE 61 CO 0.00 -0.43 -0.50 -0.92 -2.23 0.00 0.00 178.31 174.23 1jfj h TYR 62 N -0.89 0.16 0.00 0.41 5.03 -1.03 -3.38 116.97 117.28 1jfj h TYR 62 Ca -0.08 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.18 1jfj h TYR 62 Cb 0.64 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1jfj h TYR 62 CO -0.02 0.61 0.00 0.41 -1.32 0.00 0.00 178.16 177.84 1jfj n GLY 63 N -0.02 -1.09 0.00 1.82 0.00 0.19 -4.90 105.19 101.18 1jfj n GLY 63 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jfj n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfj n SER 64 N 0.00 0.00 -1.98 1.61 2.88 -1.18 -5.00 113.62 109.95 1jfj n SER 64 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1jfj n SER 64 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jfj n ILE 65 N 0.00 2.80 -4.18 2.46 0.13 -1.18 -4.87 119.36 114.53 1jfj n ILE 65 Ca 0.00 -1.64 -0.34 0.00 -1.10 0.00 0.00 62.75 59.67 1jfj n ILE 65 Cb 0.00 -0.70 -0.14 0.00 -0.84 0.00 0.00 39.64 37.97 1jfj n ILE 65 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 1jfj s GLN 66 N -2.62 3.46 0.00 9.51 -0.44 -1.26 -4.68 119.66 123.63 1jfj s GLN 66 Ca 0.45 -0.61 0.00 0.00 -2.50 0.00 0.00 55.36 52.71 1jfj s GLN 66 Cb 0.38 -2.93 0.00 0.00 -1.64 0.00 0.00 33.01 28.82 1jfj s GLN 66 CO 0.07 -0.02 0.00 0.41 0.50 0.00 0.00 175.29 176.25 1jfj n GLY 67 N 4.28 -0.00 3.66 2.59 0.00 -1.26 -5.14 105.19 109.31 1jfj n GLY 67 Ca -0.18 0.71 -0.02 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 0.77 0.58 1.61 -2.07 -1.26 -5.13 119.66 114.16 1jfj s GLN 68 Ca 0.00 -0.40 0.04 0.00 -1.82 0.00 0.00 55.36 53.18 1jfj s GLN 68 Cb 0.00 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.27 1jfj s GLN 68 CO 0.00 -0.35 0.81 -0.51 -1.32 0.00 0.00 175.29 173.92 1jfj s ASP 69 N -2.84 5.03 -0.65 12.60 1.01 -1.26 -4.97 116.67 125.59 1jfj s ASP 69 Ca 0.12 -0.43 -0.06 0.00 0.71 0.00 0.00 52.55 52.89 1jfj s ASP 69 Cb 0.01 -0.25 -0.08 0.00 1.01 0.00 0.00 42.92 43.60 1jfj s ASP 69 CO -0.02 -1.34 3.08 0.18 0.21 0.00 0.00 175.17 177.28 1jfj n LEU 70 N -2.37 6.72 -0.04 1.23 4.32 -1.26 -4.46 117.00 121.15 1jfj n LEU 70 Ca 0.12 -3.92 -0.15 0.00 -0.02 0.00 0.00 56.01 52.04 1jfj n LEU 70 Cb 0.60 -1.39 -0.08 0.00 -1.62 0.00 0.00 43.42 40.93 1jfj n LEU 70 CO 0.42 1.84 0.45 0.77 -1.22 0.00 0.00 177.39 179.65 1jfj h SER 71 N 3.65 0.49 -0.98 -1.43 4.64 -1.99 -2.93 113.55 114.99 1jfj h SER 71 Ca 0.46 -0.60 0.29 0.00 -0.47 0.00 0.00 61.79 61.46 1jfj h SER 71 Cb 0.87 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 1jfj h SER 71 CO 0.91 1.01 0.71 -2.24 -0.87 0.00 0.00 176.83 176.35 1jfj h ASP 72 N 0.00 0.00 -0.13 4.97 2.03 -1.96 1.44 116.42 122.77 1jfj h ASP 72 Ca -0.01 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.06 1jfj h ASP 72 Cb 0.97 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.48 1jfj h ASP 72 CO 0.07 0.00 -0.81 -0.78 -1.03 0.00 0.00 179.24 176.69 1jfj h ASP 73 N 0.00 0.94 0.24 4.15 3.58 -1.88 0.28 116.42 123.73 1jfj h ASP 73 Ca 0.47 -0.65 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1jfj h ASP 73 Cb 1.89 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.66 1jfj h ASP 73 CO -0.00 1.44 -0.11 0.11 -2.88 0.00 0.00 179.24 177.79 1jfj h LYS 74 N 0.51 -0.31 -0.16 0.28 1.79 0.97 -1.07 116.57 118.58 1jfj h LYS 74 Ca -0.06 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.47 1jfj h LYS 74 Cb 1.45 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.16 1jfj h LYS 74 CO 0.17 -0.19 0.12 -0.84 -1.08 0.00 0.00 179.45 177.63 1jfj h ILE 75 N -1.08 0.89 0.55 1.86 -0.00 0.14 1.00 117.51 120.86 1jfj h ILE 75 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.80 1jfj h ILE 75 Cb 0.26 0.92 0.01 0.00 -0.00 0.00 0.00 36.82 38.01 1jfj h ILE 75 CO 0.05 0.00 -0.26 1.23 -0.00 0.00 0.00 178.15 179.17 1jfj h GLY 76 N 0.00 -0.76 1.11 0.16 0.00 -0.47 0.74 103.07 103.85 1jfj h GLY 76 Ca 0.08 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.79 1jfj h GLY 76 CO -0.00 -0.28 0.35 -2.00 0.00 0.00 0.00 176.54 174.61 1jfj h LEU 77 N -1.19 0.21 -0.01 3.11 6.46 -0.82 0.42 115.31 123.49 1jfj h LEU 77 Ca -0.07 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1jfj h LEU 77 Cb 0.57 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1jfj h LEU 77 CO 0.12 0.13 -0.01 0.50 -0.62 0.00 0.00 178.44 178.56 1jfj h LYS 78 N 0.23 0.02 -0.36 1.25 3.64 -0.76 -0.74 116.57 119.85 1jfj h LYS 78 Ca 0.24 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1jfj h LYS 78 Cb 0.63 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1jfj h LYS 78 CO -0.05 0.45 0.04 0.28 -2.27 0.00 0.00 179.45 177.91 1jfj h VAL 79 N -0.41 0.78 -0.14 2.00 2.07 0.59 0.15 116.25 121.30 1jfj h VAL 79 Ca 0.00 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1jfj h VAL 79 Cb 0.45 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1jfj h VAL 79 CO 0.00 0.03 -0.06 -0.07 0.02 0.00 0.00 177.57 177.49 1jfj h LEU 80 N 0.15 -0.21 -1.72 2.57 3.38 -0.94 0.30 115.31 118.83 1jfj h LEU 80 Ca 0.17 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1jfj h LEU 80 Cb 0.22 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1jfj h LEU 80 CO -0.25 -0.08 0.36 0.22 0.09 0.00 0.00 178.44 178.77 1jfj h TYR 81 N -0.05 0.33 -0.02 1.13 3.20 -0.23 0.90 116.97 122.23 1jfj h TYR 81 Ca 0.07 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.74 1jfj h TYR 81 Cb 0.16 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1jfj h TYR 81 CO -0.20 0.16 -0.88 -0.22 -1.64 0.00 0.00 178.16 175.38 1jfj h LYS 82 N 0.32 0.40 -0.27 1.82 3.11 0.80 -3.08 116.57 119.66 1jfj h LYS 82 Ca 0.24 -0.40 -0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1jfj h LYS 82 Cb 0.54 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1jfj h LYS 82 CO -0.06 1.06 0.16 -0.07 -2.81 0.00 0.00 179.45 177.74 1jfj h LEU 83 N 0.24 0.33 -1.20 5.20 4.07 0.19 -2.24 115.31 121.90 1jfj h LEU 83 Ca -0.06 -0.06 0.12 0.00 0.08 0.00 0.00 57.88 57.95 1jfj h LEU 83 Cb 1.50 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 43.09 1jfj h LEU 83 CO 0.15 0.30 0.58 0.24 -1.08 0.00 0.00 178.44 178.64 1jfj h MET 84 N 0.34 0.81 -3.32 1.13 2.86 -1.19 -2.95 114.93 112.61 1jfj h MET 84 Ca 0.10 -0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 57.06 1jfj h MET 84 Cb 0.03 -0.18 0.02 0.00 0.06 0.00 0.00 31.60 31.53 1jfj h MET 84 CO -0.02 0.54 3.46 -0.25 1.06 0.00 0.00 176.91 181.70 1jfj n ASP 85 N -4.56 6.97 -0.70 1.22 9.92 -0.84 -4.48 116.55 124.08 1jfj n ASP 85 Ca 0.17 -2.58 0.04 0.00 -0.53 0.00 0.00 54.79 51.88 1jfj n ASP 85 Cb 0.37 -1.48 0.14 0.00 -0.64 0.00 0.00 41.12 39.51 1jfj n ASP 85 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1jfj n VAL 86 N 4.07 0.61 -0.10 2.53 3.14 -1.12 -3.41 118.33 124.06 1jfj n VAL 86 Ca 0.67 -0.43 -0.11 0.00 -2.96 0.00 0.00 64.34 61.50 1jfj n VAL 86 Cb 0.25 -0.02 -0.13 0.00 -1.06 0.00 0.00 33.84 32.88 1jfj n VAL 86 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1jfj n ASP 87 N 0.30 0.97 0.00 6.55 5.68 -1.26 -5.07 116.55 123.72 1jfj n ASP 87 Ca 0.10 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1jfj n ASP 87 Cb 0.37 0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 1jfj n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 88 N 2.02 0.06 1.67 6.12 0.00 -1.22 -5.09 105.19 108.75 1jfj n GLY 88 Ca -0.34 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1jfj n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfj n ASP 89 N 0.00 0.00 0.00 1.61 9.92 -1.26 -5.03 116.55 121.78 1jfj n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jfj n ASP 89 Cb 0.00 0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jfj n GLY 90 N -1.12 0.69 3.33 0.44 0.00 -1.26 -5.06 105.19 102.21 1jfj n GLY 90 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.15 0.96 0.34 1.61 -2.85 -1.26 -3.91 119.74 113.48 1jfj s LYS 91 Ca 0.00 -0.44 0.09 0.00 -1.00 0.00 0.00 55.97 54.62 1jfj s LYS 91 Cb 0.00 0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 1jfj s LYS 91 CO 0.00 -0.34 -0.09 -0.51 0.10 0.00 0.00 175.35 174.51 1jfj s LEU 92 N -2.20 2.73 0.00 2.77 1.43 0.12 -4.91 118.68 118.63 1jfj s LEU 92 Ca -0.03 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1jfj s LEU 92 Cb -0.00 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 1jfj s LEU 92 CO -0.05 -0.22 0.00 0.35 0.23 0.00 0.00 176.35 176.66 1jfj n THR 93 N -0.79 0.00 -0.05 5.49 -2.24 -1.26 0.31 114.28 115.74 1jfj n THR 93 Ca -0.05 -1.29 -0.14 0.00 -2.27 0.00 0.00 64.05 60.31 1jfj n THR 93 Cb 0.64 0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 69.01 1jfj n THR 93 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1jfj h LYS 94 N 0.00 -0.00 -0.74 -0.78 1.57 -1.94 -1.22 116.57 113.46 1jfj h LYS 94 Ca -0.23 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1jfj h LYS 94 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1jfj h LYS 94 CO 0.37 0.78 0.49 1.05 -0.57 0.00 0.00 179.45 181.57 1jfj h GLU 95 N -0.78 0.81 0.50 3.15 4.11 -1.96 0.15 114.58 120.55 1jfj h GLU 95 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1jfj h GLU 95 Cb 0.78 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1jfj h GLU 95 CO 0.00 0.53 -0.24 0.93 0.07 0.00 0.00 179.01 180.30 1jfj h GLU 96 N 0.83 -0.64 -0.84 1.06 5.08 -1.97 0.39 114.58 118.49 1jfj h GLU 96 Ca 0.31 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.91 1jfj h GLU 96 Cb 0.18 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.45 1jfj h GLU 96 CO -0.10 -0.43 0.30 -0.24 -1.00 0.00 0.00 179.01 177.54 1jfj h VAL 97 N -1.12 0.47 0.00 3.13 3.04 -1.03 0.98 116.25 121.72 1jfj h VAL 97 Ca -0.07 -0.11 -0.12 0.00 -1.01 0.00 0.00 66.70 65.39 1jfj h VAL 97 Cb 0.51 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 29.88 1jfj h VAL 97 CO 0.11 0.06 -0.58 0.00 -1.01 0.00 0.00 177.57 176.16 1jfj h THR 98 N 0.33 1.37 -0.30 3.17 1.03 -0.72 0.11 112.91 117.91 1jfj h THR 98 Ca 0.50 -2.00 -0.07 0.00 -0.01 0.00 0.00 66.41 64.83 1jfj h THR 98 Cb 0.93 2.09 -0.01 0.00 -1.07 0.00 0.00 68.15 70.09 1jfj h THR 98 CO -0.54 0.56 -0.09 -1.28 -0.01 0.00 0.00 175.52 174.17 1jfj h SER 99 N 0.00 0.60 -0.03 0.00 0.87 0.52 0.24 113.55 115.76 1jfj h SER 99 Ca -0.01 -0.38 -0.16 0.00 -1.23 0.00 0.00 61.79 60.02 1jfj h SER 99 Cb 1.04 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1jfj h SER 99 CO 0.07 0.84 -0.61 0.15 -0.53 0.00 0.00 176.83 176.75 1jfj h PHE 100 N 0.36 0.67 -0.03 2.24 3.57 -0.21 -3.22 116.94 120.31 1jfj h PHE 100 Ca 0.07 -0.34 -0.06 0.00 3.53 0.00 0.00 57.97 61.17 1jfj h PHE 100 Cb 0.58 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1jfj h PHE 100 CO 0.05 1.15 -0.27 0.74 -2.23 0.00 0.00 178.31 177.76 1jfj h PHE 101 N -0.01 0.05 -1.66 0.41 -1.00 -0.79 -2.61 116.94 111.34 1jfj h PHE 101 Ca -0.07 -0.01 0.49 0.00 2.81 0.00 0.00 57.97 61.19 1jfj h PHE 101 Cb 1.30 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 40.77 1jfj h PHE 101 CO 0.13 0.32 1.18 0.87 -1.61 0.00 0.00 178.31 179.20 1jfj h LYS 102 N 0.04 0.02 -0.89 1.51 1.57 -0.52 1.42 116.57 119.72 1jfj h LYS 102 Ca 0.01 -0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 1jfj h LYS 102 Cb 0.50 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.70 1jfj h LYS 102 CO 0.04 0.01 0.44 0.87 -0.57 0.00 0.00 179.45 180.24 1jfj h LYS 103 N 0.02 0.52 0.72 3.15 6.56 -1.64 -1.53 116.57 124.37 1jfj h LYS 103 Ca 0.82 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 60.34 1jfj h LYS 103 Cb 3.17 -0.12 0.01 0.00 -0.57 0.00 0.00 32.23 34.72 1jfj h LYS 103 CO -0.07 0.35 -0.34 1.25 -2.06 0.00 0.00 179.45 178.57 1jfj h HIS 104 N 0.54 -0.89 0.00 -1.35 2.76 0.17 -3.48 115.15 112.90 1jfj h HIS 104 Ca 0.53 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1jfj h HIS 104 Cb 0.88 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1jfj h HIS 104 CO -0.10 -0.53 0.00 0.41 -1.30 0.00 0.00 177.93 176.41 1jfj n GLY 105 N -0.95 1.32 3.50 5.26 0.00 -0.58 -5.04 105.19 108.71 1jfj n GLY 105 Ca -0.13 0.00 -0.35 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 2.61 0.22 -0.61 0.13 -1.26 -4.69 119.36 115.76 1jfj n ILE 106 Ca 0.00 -2.66 0.06 0.00 -1.10 0.00 0.00 62.75 59.04 1jfj n ILE 106 Cb 0.00 -2.26 0.52 0.00 -0.84 0.00 0.00 39.64 37.06 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 8.71 0.02 -1.11 9.51 4.11 -1.92 -2.34 114.58 131.56 1jfj h GLU 107 Ca 0.32 -0.00 0.37 0.00 0.07 0.00 0.00 59.36 60.12 1jfj h GLU 107 Cb 0.88 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.99 1jfj h GLU 107 CO 1.39 0.17 0.67 0.87 0.07 0.00 0.00 179.01 182.18 1jfj h LYS 108 N 0.02 0.21 -1.55 1.06 1.57 -2.01 1.47 116.57 117.32 1jfj h LYS 108 Ca 0.00 -0.01 0.45 0.00 -1.87 0.00 0.00 60.65 59.22 1jfj h LYS 108 Cb 0.27 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 1jfj h LYS 108 CO 0.02 0.14 1.10 -0.24 -0.57 0.00 0.00 179.45 179.90 1jfj h VAL 109 N 0.21 0.20 -0.28 0.50 3.04 -1.82 1.51 116.25 119.61 1jfj h VAL 109 Ca 0.76 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 66.44 1jfj h VAL 109 Cb 2.02 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1jfj h VAL 109 CO -0.53 0.00 0.18 0.00 -1.01 0.00 0.00 177.57 176.21 1jfj h ALA 110 N 1.26 0.36 -0.04 3.17 0.00 0.18 0.41 119.26 124.60 1jfj h ALA 110 Ca 0.76 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.52 1jfj h ALA 110 Cb 2.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.61 1jfj h ALA 110 CO -0.07 -0.15 -0.50 1.49 0.00 0.00 0.00 179.25 180.03 1jfj h GLU 111 N 0.37 0.11 -0.12 0.00 4.81 0.19 -0.57 114.58 119.37 1jfj h GLU 111 Ca 0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1jfj h GLU 111 Cb -0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1jfj h GLU 111 CO -0.02 0.59 0.04 0.37 -0.73 0.00 0.00 179.01 179.26 1jfj h GLN 112 N 0.08 0.18 -0.26 1.92 4.15 -0.39 -1.01 115.11 119.78 1jfj h GLN 112 Ca 0.00 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 1jfj h GLN 112 Cb 0.92 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1jfj h GLN 112 CO 0.07 0.30 -0.41 -0.24 -1.93 0.00 0.00 178.83 176.63 1jfj h VAL 113 N 0.02 1.30 -0.39 2.39 3.04 -0.86 0.09 116.25 121.84 1jfj h VAL 113 Ca 0.04 -1.58 0.04 0.00 -1.01 0.00 0.00 66.70 64.20 1jfj h VAL 113 Cb 0.19 1.54 -0.04 0.00 -2.01 0.00 0.00 31.29 30.97 1jfj h VAL 113 CO -0.00 0.50 0.14 -0.03 -1.01 0.00 0.00 177.57 177.17 1jfj h MET 114 N 0.50 0.30 -0.00 4.17 1.85 -0.85 0.53 114.93 121.42 1jfj h MET 114 Ca 0.04 -0.02 -0.17 0.00 -0.61 0.00 0.00 59.70 58.94 1jfj h MET 114 Cb 0.92 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.86 1jfj h MET 114 CO 0.08 0.20 -0.78 0.87 -0.40 0.00 0.00 176.91 176.88 1jfj h LYS 115 N 0.31 0.06 0.10 0.39 1.57 -1.10 -3.23 116.57 114.68 1jfj h LYS 115 Ca 0.18 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1jfj h LYS 115 Cb 0.15 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1jfj h LYS 115 CO -0.17 0.81 -0.14 0.00 -0.57 0.00 0.00 179.45 179.37 1jfj h ALA 116 N 1.17 -0.25 -0.26 3.86 0.00 -0.00 -2.99 119.26 120.78 1jfj h ALA 116 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jfj h ALA 116 Cb 1.38 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1jfj h ALA 116 CO 0.11 -0.67 -0.25 0.22 0.00 0.00 0.00 179.25 178.66 1jfj h ASP 117 N -0.29 -0.86 -4.89 0.00 3.58 -0.95 -3.43 116.42 109.58 1jfj h ASP 117 Ca 0.02 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1jfj h ASP 117 Cb 0.30 0.36 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 1jfj h ASP 117 CO -0.07 -0.15 -0.01 0.00 -2.88 0.00 0.00 179.24 176.12 1jfj n ALA 118 N -2.94 -0.97 -0.09 -0.78 0.00 -1.13 -4.65 120.51 109.94 1jfj n ALA 118 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1jfj n ALA 118 Cb 0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1jfj n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jfj n ASN 119 N -1.46 1.40 0.00 0.00 4.13 -1.26 -5.08 115.26 112.99 1jfj n ASN 119 Ca -0.01 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1jfj n ASN 119 Cb 0.49 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jfj n GLY 120 N 1.94 0.62 1.43 7.41 0.00 -1.26 -5.05 105.19 110.27 1jfj n GLY 120 Ca -0.35 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1jfj n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 121 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.61 1jfj n ASP 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 121 Cb 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 122 N -0.95 0.92 3.19 6.12 0.00 -1.26 -5.07 105.19 108.14 1jfj n GLY 122 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 0.16 0.13 1.61 1.51 -1.26 -3.44 117.35 114.05 1jfj s TYR 123 Ca 0.00 -0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 1jfj s TYR 123 Cb 0.00 -0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 1jfj s TYR 123 CO 0.00 -0.51 0.18 0.42 -1.11 0.00 0.00 175.55 174.53 1jfj s ILE 124 N -3.61 0.11 0.42 2.71 1.01 0.15 -4.98 121.20 117.01 1jfj s ILE 124 Ca 0.03 -1.50 0.05 0.00 0.00 0.00 0.00 60.65 59.23 1jfj s ILE 124 Cb 0.04 -1.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.71 1jfj s ILE 124 CO -0.10 -0.49 0.02 0.42 0.00 0.00 0.00 174.94 174.79 1jfj s THR 125 N -3.96 1.68 0.28 2.92 -4.23 -1.26 0.16 115.64 111.24 1jfj s THR 125 Ca 0.15 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1jfj s THR 125 Cb 0.05 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.19 1jfj s THR 125 CO -0.03 0.00 1.73 0.17 -0.54 0.00 0.00 174.62 175.95 1jfj h LEU 126 N 1.71 0.52 -0.13 4.79 8.10 -1.95 0.29 115.31 128.63 1jfj h LEU 126 Ca -0.43 -0.17 -0.06 0.00 0.11 0.00 0.00 57.88 57.33 1jfj h LEU 126 Cb 1.26 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 41.34 1jfj h LEU 126 CO 0.78 0.74 -0.15 -0.08 -4.11 0.00 0.00 178.44 175.61 1jfj h GLU 127 N 0.46 0.33 -0.18 0.17 4.81 -1.96 -0.93 114.58 117.28 1jfj h GLU 127 Ca 0.07 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1jfj h GLU 127 Cb 0.64 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1jfj h GLU 127 CO 0.05 0.74 -0.11 1.49 -0.73 0.00 0.00 179.01 180.45 1jfj h GLU 128 N -0.07 0.28 -0.16 1.92 4.81 -1.92 -1.01 114.58 118.42 1jfj h GLU 128 Ca 0.02 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1jfj h GLU 128 Cb 0.69 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1jfj h GLU 128 CO 0.04 0.40 -0.29 0.35 -0.73 0.00 0.00 179.01 178.77 1jfj h PHE 129 N 0.27 0.61 0.61 0.92 3.57 -0.83 0.12 116.94 122.20 1jfj h PHE 129 Ca 0.06 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1jfj h PHE 129 Cb 0.36 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.99 1jfj h PHE 129 CO 0.01 0.92 -0.29 1.25 -2.23 0.00 0.00 178.31 177.96 1jfj h LEU 130 N 0.12 -0.70 -0.69 0.59 7.12 -0.85 -1.63 115.31 119.27 1jfj h LEU 130 Ca 0.01 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.06 1jfj h LEU 130 Cb 0.88 0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 41.14 1jfj h LEU 130 CO 0.07 -0.46 0.42 -0.08 -0.13 0.00 0.00 178.44 178.26 1jfj h GLU 131 N -0.88 0.80 -0.90 1.25 4.81 -1.27 -1.88 114.58 116.52 1jfj h GLU 131 Ca -0.08 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.26 1jfj h GLU 131 Cb 0.65 -0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.75 1jfj h GLU 131 CO 0.14 0.53 0.48 0.35 -0.73 0.00 0.00 179.01 179.78 1jfj h PHE 132 N 0.82 0.85 -0.77 0.92 3.57 -0.56 0.41 116.94 122.18 1jfj h PHE 132 Ca 0.28 0.03 0.22 0.00 3.53 0.00 0.00 57.97 62.04 1jfj h PHE 132 Cb 0.05 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1jfj h PHE 132 CO -0.05 0.19 0.57 0.77 -2.23 0.00 0.00 178.31 177.56 1jfj h SER 133 N 0.66 0.00 0.00 0.41 0.02 -0.43 -3.51 113.55 110.71 1jfj h SER 133 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1jfj h SER 133 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1jfj h SER 133 CO -0.37 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.21